NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
9958 | 1p1t | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 3.122 -0.010 -0.949 3 1HB ASP 8 2HB ASP 8 2.317 -2.076 -1.720 4 2HB ASP 8 3HB ASP 8 0.685 -1.477 -1.943 5 HA PRO 9 HA PRO 9 1.816 3.722 -2.904 6 1HB PRO 9 2HB PRO 9 4.150 4.355 -4.176 7 2HB PRO 9 3HB PRO 9 3.839 4.742 -2.495 8 1HG PRO 9 2HG PRO 9 5.565 2.621 -3.621 9 2HG PRO 9 3HG PRO 9 5.566 3.294 -2.003 10 1HD PRO 9 2HD PRO 9 4.475 0.767 -2.810 11 2HD PRO 9 3HD PRO 9 4.375 1.491 -1.217 12 H ALA 10 HN ALA 10 1.583 4.791 -5.062 13 HA ALA 10 HA ALA 10 2.113 3.408 -7.385 14 1HB ALA 10 1HB ALA 10 0.732 1.599 -6.955 15 2HB ALA 10 2HB ALA 10 -0.393 2.556 -5.961 16 3HB ALA 10 3HB ALA 10 -0.428 2.701 -7.735 17 H VAL 11 HN VAL 11 2.277 6.047 -6.528 18 HA VAL 11 HA VAL 11 -0.076 7.427 -7.486 19 HB VAL 11 HB VAL 11 2.596 8.489 -6.548 20 1HG1 VAL 11 1HG1 VAL 11 1.776 10.435 -7.296 21 2HG1 VAL 11 2HG1 VAL 11 0.158 9.744 -7.565 22 3HG1 VAL 11 3HG1 VAL 11 0.614 10.341 -5.951 23 1HG2 VAL 11 1HG2 VAL 11 1.756 8.632 -4.355 24 2HG2 VAL 11 2HG2 VAL 11 0.081 8.331 -4.879 25 3HG2 VAL 11 3HG2 VAL 11 1.273 7.010 -4.909 26 H ASP 12 HN ASP 12 3.195 6.498 -8.551 27 HA ASP 12 HA ASP 12 3.457 8.264 -10.630 28 1HB ASP 12 2HB ASP 12 4.823 6.015 -9.622 29 2HB ASP 12 3HB ASP 12 4.417 5.547 -11.261 30 H ARG 13 HN ARG 13 1.657 5.183 -10.278 31 HA ARG 13 HA ARG 13 1.234 4.616 -12.917 32 1HB ARG 13 2HB ARG 13 0.082 3.862 -10.322 33 2HB ARG 13 3HB ARG 13 -1.159 3.905 -11.558 34 1HG ARG 13 2HG ARG 13 -0.230 2.153 -12.765 35 2HG ARG 13 3HG ARG 13 1.415 2.585 -12.341 36 1HD ARG 13 2HD ARG 13 1.423 1.059 -10.661 37 2HD ARG 13 3HD ARG 13 0.042 1.833 -9.909 38 HE ARG 13 HE ARG 13 -1.338 0.166 -10.794 39 1HH1 ARG 13 2HH2 ARG 13 1.691 0.209 -12.585 40 2HH1 ARG 13 1HH2 ARG 13 1.315 -1.210 -13.505 41 1HH2 ARG 13 2HH1 ARG 13 -1.834 -1.706 -12.007 42 2HH2 ARG 13 1HH1 ARG 13 -0.703 -2.306 -13.173 43 H SER 14 HN SER 14 -0.438 6.884 -10.690 44 HA SER 14 HA SER 14 -2.646 7.373 -12.275 45 1HB SER 14 2HB SER 14 -1.442 8.438 -9.871 46 2HB SER 14 3HB SER 14 -1.927 9.782 -10.887 47 HG SER 14 HG SER 14 -4.027 8.334 -11.083 48 H LEU 15 HN LEU 15 0.658 8.801 -12.210 49 HA LEU 15 HA LEU 15 0.061 10.863 -14.055 50 1HB LEU 15 2HB LEU 15 2.677 9.628 -13.187 51 2HB LEU 15 3HB LEU 15 2.533 11.061 -14.184 52 HG LEU 15 HG LEU 15 1.037 11.186 -11.639 53 1HD1 LEU 15 1HD1 LEU 15 2.664 10.362 -10.349 54 2HD1 LEU 15 2HD1 LEU 15 3.857 10.390 -11.669 55 3HD1 LEU 15 3HD1 LEU 15 3.540 11.865 -10.725 56 1HD2 LEU 15 1HD2 LEU 15 2.051 13.441 -11.579 57 2HD2 LEU 15 2HD2 LEU 15 2.958 13.050 -13.060 58 3HD2 LEU 15 3HD2 LEU 15 1.179 13.110 -13.095 59 H ARG 16 HN ARG 16 0.346 7.459 -14.348 60 HA ARG 16 HA ARG 16 1.028 7.772 -17.159 61 1HB ARG 16 2HB ARG 16 1.376 5.484 -15.189 62 2HB ARG 16 3HB ARG 16 1.327 5.145 -16.908 63 1HG ARG 16 2HG ARG 16 3.087 7.384 -16.565 64 2HG ARG 16 3HG ARG 16 3.518 6.215 -15.332 65 1HD ARG 16 2HD ARG 16 3.235 5.575 -18.309 66 2HD ARG 16 3HD ARG 16 4.759 5.853 -17.490 67 HE ARG 16 HE ARG 16 3.050 3.462 -17.258 68 1HH1 ARG 16 2HH2 ARG 16 5.739 5.283 -15.902 69 2HH1 ARG 16 1HH2 ARG 16 6.400 3.924 -15.056 70 1HH2 ARG 16 2HH1 ARG 16 3.922 1.668 -16.142 71 2HH2 ARG 16 1HH1 ARG 16 5.359 1.854 -15.194 72 H SER 17 HN SER 17 -1.278 8.460 -17.514 73 HA SER 17 HA SER 17 -2.798 6.442 -18.523 74 1HB SER 17 2HB SER 17 -3.396 7.049 -15.636 75 2HB SER 17 3HB SER 17 -4.756 6.766 -16.704 76 HG SER 17 HG SER 17 -2.598 4.980 -16.034 77 H VAL 18 HN VAL 18 -4.069 7.484 -20.027 78 HA VAL 18 HA VAL 18 -4.829 10.253 -19.394 79 HB VAL 18 HB VAL 18 -4.852 10.206 -22.078 80 1HG1 VAL 18 1HG1 VAL 18 -2.253 10.640 -20.592 81 2HG1 VAL 18 2HG1 VAL 18 -2.887 11.513 -22.008 82 3HG1 VAL 18 3HG1 VAL 18 -3.646 11.735 -20.413 83 1HG2 VAL 18 1HG2 VAL 18 -3.112 8.927 -23.033 84 2HG2 VAL 18 2HG2 VAL 18 -2.442 8.492 -21.442 85 3HG2 VAL 18 3HG2 VAL 18 -3.990 7.795 -21.977 86 H PHE 19 HN PHE 19 -6.984 10.657 -19.334 87 HA PHE 19 HA PHE 19 -8.766 8.491 -19.896 88 1HB PHE 19 2HB PHE 19 -9.028 10.084 -17.974 89 2HB PHE 19 3HB PHE 19 -9.075 11.442 -19.080 90 HD1 PHE 19 HD1 PHE 19 -10.858 8.158 -19.092 91 HD2 PHE 19 HD2 PHE 19 -11.174 12.389 -19.001 92 HE1 PHE 19 HE1 PHE 19 -13.358 7.974 -19.215 93 HE2 PHE 19 HE2 PHE 19 -13.674 12.205 -19.124 94 HZ PHE 19 HZ PHE 19 -14.736 9.999 -19.229 95 H VAL 20 HN VAL 20 -9.979 8.154 -21.714 96 HA VAL 20 HA VAL 20 -9.990 10.341 -23.680 97 HB VAL 20 HB VAL 20 -10.200 7.417 -24.350 98 1HG1 VAL 20 1HG1 VAL 20 -9.445 8.131 -26.541 99 2HG1 VAL 20 2HG1 VAL 20 -10.835 9.126 -26.044 100 3HG1 VAL 20 3HG1 VAL 20 -9.187 9.790 -25.951 101 1HG2 VAL 20 1HG2 VAL 20 -8.146 7.377 -23.233 102 2HG2 VAL 20 2HG2 VAL 20 -7.687 7.667 -24.929 103 3HG2 VAL 20 3HG2 VAL 20 -7.709 9.017 -23.769 104 H GLY 21 HN GLY 21 -11.962 11.013 -24.446 105 1HA GLY 21 1HA GLY 21 -14.303 9.335 -23.825 106 2HA GLY 21 2HA GLY 21 -14.255 11.005 -23.294 107 H ASN 22 HN ASN 22 -16.320 10.791 -24.804 108 HA ASN 22 HA ASN 22 -17.325 11.488 -26.593 109 1HB ASN 22 2HB ASN 22 -15.234 13.227 -26.428 110 2HB ASN 22 3HB ASN 22 -14.830 12.489 -27.965 111 1HD2 ASN 22 1HD2 ASN 22 -15.202 14.515 -28.940 112 2HD2 ASN 22 2HD2 ASN 22 -16.798 15.074 -29.313 113 H ILE 23 HN ILE 23 -15.699 8.865 -26.443 114 HA ILE 23 HA ILE 23 -15.126 8.425 -29.267 115 HB ILE 23 HB ILE 23 -14.705 6.434 -27.065 116 1HG1 ILE 23 2HG1 ILE 23 -12.793 8.684 -27.756 117 2HG1 ILE 23 3HG1 ILE 23 -13.776 8.619 -26.307 118 1HG2 ILE 23 1HG2 ILE 23 -12.723 5.895 -28.562 119 2HG2 ILE 23 2HG2 ILE 23 -14.339 5.521 -29.208 120 3HG2 ILE 23 3HG2 ILE 23 -13.469 6.970 -29.769 121 1HD1 ILE 23 1HD1 ILE 23 -12.510 6.086 -26.433 122 2HD1 ILE 23 2HD1 ILE 23 -11.255 7.269 -26.875 123 3HD1 ILE 23 3HD1 ILE 23 -12.120 7.425 -25.327 124 HA PRO 24 HA PRO 24 -19.125 6.663 -29.507 125 1HB PRO 24 2HB PRO 24 -19.210 6.421 -32.227 126 2HB PRO 24 3HB PRO 24 -19.670 7.885 -31.381 127 1HG PRO 24 2HG PRO 24 -17.209 7.329 -32.922 128 2HG PRO 24 3HG PRO 24 -17.877 8.876 -32.440 129 1HD PRO 24 2HD PRO 24 -15.651 7.520 -31.242 130 2HD PRO 24 3HD PRO 24 -16.392 9.009 -30.690 131 H TYR 25 HN TYR 25 -20.100 4.732 -30.992 132 HA TYR 25 HA TYR 25 -18.618 2.496 -30.021 133 1HB TYR 25 2HB TYR 25 -21.098 3.087 -31.718 134 2HB TYR 25 3HB TYR 25 -20.540 1.431 -31.577 135 HD1 TYR 25 HD1 TYR 25 -22.120 0.325 -30.262 136 HD2 TYR 25 HD2 TYR 25 -20.673 4.147 -28.996 137 HE1 TYR 25 HE1 TYR 25 -23.390 0.089 -28.072 138 HE2 TYR 25 HE2 TYR 25 -21.948 3.898 -26.810 139 HH TYR 25 HH TYR 25 -23.770 2.739 -25.915 140 H GLU 26 HN GLU 26 -18.159 4.504 -32.691 141 HA GLU 26 HA GLU 26 -17.432 2.345 -34.458 142 1HB GLU 26 2HB GLU 26 -18.056 5.219 -34.725 143 2HB GLU 26 3HB GLU 26 -16.673 4.737 -35.688 144 1HG GLU 26 2HG GLU 26 -17.922 3.321 -37.046 145 2HG GLU 26 3HG GLU 26 -19.045 2.901 -35.769 146 H ALA 27 HN ALA 27 -16.042 4.304 -31.990 147 HA ALA 27 HA ALA 27 -13.351 3.826 -33.071 148 1HB ALA 27 1HB ALA 27 -14.471 5.909 -31.163 149 2HB ALA 27 2HB ALA 27 -12.726 5.627 -31.373 150 3HB ALA 27 3HB ALA 27 -13.711 6.170 -32.752 151 H THR 28 HN THR 28 -13.036 1.691 -32.369 152 HA THR 28 HA THR 28 -13.542 1.117 -29.556 153 HB THR 28 HB THR 28 -12.804 -1.225 -30.431 154 HG1 THR 28 HG1 THR 28 -12.609 -1.270 -32.732 155 1HG2 THR 28 1HG2 THR 28 -15.200 0.301 -31.535 156 2HG2 THR 28 2HG2 THR 28 -14.900 -1.392 -31.996 157 3HG2 THR 28 3HG2 THR 28 -15.183 -0.971 -30.290 158 H GLU 29 HN GLU 29 -11.730 -0.393 -28.549 159 HA GLU 29 HA GLU 29 -9.618 1.289 -28.048 160 1HB GLU 29 2HB GLU 29 -10.328 -1.540 -27.427 161 2HB GLU 29 3HB GLU 29 -8.621 -1.160 -27.308 162 1HG GLU 29 2HG GLU 29 -9.331 0.900 -25.899 163 2HG GLU 29 3HG GLU 29 -10.925 0.175 -25.826 164 H GLU 30 HN GLU 30 -10.102 -1.166 -30.559 165 HA GLU 30 HA GLU 30 -7.449 -1.609 -31.193 166 1HB GLU 30 2HB GLU 30 -9.511 -2.896 -31.985 167 2HB GLU 30 3HB GLU 30 -9.790 -1.612 -33.144 168 1HG GLU 30 2HG GLU 30 -7.280 -2.027 -33.851 169 2HG GLU 30 3HG GLU 30 -7.462 -3.555 -33.012 170 H GLN 31 HN GLN 31 -9.701 1.032 -32.006 171 HA GLN 31 HA GLN 31 -7.845 2.093 -33.926 172 1HB GLN 31 2HB GLN 31 -10.584 2.982 -32.944 173 2HB GLN 31 3HB GLN 31 -9.628 3.956 -34.044 174 1HG GLN 31 2HG GLN 31 -9.590 1.297 -35.098 175 2HG GLN 31 3HG GLN 31 -11.248 1.608 -34.624 176 1HE2 GLN 31 1HE2 GLN 31 -12.499 2.892 -35.808 177 2HE2 GLN 31 2HE2 GLN 31 -12.004 3.795 -37.201 178 H LEU 32 HN LEU 32 -9.208 2.883 -30.674 179 HA LEU 32 HA LEU 32 -7.956 5.335 -30.352 180 1HB LEU 32 2HB LEU 32 -8.845 3.232 -28.382 181 2HB LEU 32 3HB LEU 32 -8.207 4.787 -27.890 182 HG LEU 32 HG LEU 32 -10.306 5.522 -27.933 183 1HD1 LEU 32 1HD1 LEU 32 -9.509 6.562 -29.992 184 2HD1 LEU 32 2HD1 LEU 32 -10.085 5.166 -30.935 185 3HD1 LEU 32 3HD1 LEU 32 -11.251 6.209 -30.085 186 1HD2 LEU 32 1HD2 LEU 32 -10.764 2.843 -28.500 187 2HD2 LEU 32 2HD2 LEU 32 -11.979 4.058 -28.036 188 3HD2 LEU 32 3HD2 LEU 32 -11.676 3.712 -29.756 189 H LYS 33 HN LYS 33 -6.835 1.995 -29.512 190 HA LYS 33 HA LYS 33 -4.406 2.815 -28.404 191 1HB LYS 33 2HB LYS 33 -5.403 0.614 -28.021 192 2HB LYS 33 3HB LYS 33 -5.197 0.194 -29.710 193 1HG LYS 33 2HG LYS 33 -2.906 -0.109 -29.510 194 2HG LYS 33 3HG LYS 33 -2.732 1.144 -28.298 195 1HD LYS 33 2HD LYS 33 -3.441 -0.287 -26.528 196 2HD LYS 33 3HD LYS 33 -4.209 -1.420 -27.623 197 1HE LYS 33 2HE LYS 33 -2.176 -2.419 -28.250 198 2HE LYS 33 3HE LYS 33 -1.236 -0.980 -27.911 199 1HZ LYS 33 1HZ LYS 33 -1.724 -1.370 -25.544 200 2HZ LYS 33 2HZ LYS 33 -2.430 -2.790 -25.932 201 3HZ LYS 33 3HZ LYS 33 -0.840 -2.562 -26.225 202 H ASP 34 HN ASP 34 -5.454 2.154 -31.767 203 HA ASP 34 HA ASP 34 -2.910 2.119 -32.860 204 1HB ASP 34 2HB ASP 34 -5.499 1.785 -33.781 205 2HB ASP 34 3HB ASP 34 -5.086 3.327 -34.504 206 H ILE 35 HN ILE 35 -5.293 4.722 -32.128 207 HA ILE 35 HA ILE 35 -3.906 6.774 -33.482 208 HB ILE 35 HB ILE 35 -5.960 6.844 -31.270 209 1HG1 ILE 35 2HG1 ILE 35 -6.511 7.487 -34.147 210 2HG1 ILE 35 3HG1 ILE 35 -6.404 5.807 -33.661 211 1HG2 ILE 35 1HG2 ILE 35 -4.416 8.914 -31.659 212 2HG2 ILE 35 2HG2 ILE 35 -5.408 9.142 -33.119 213 3HG2 ILE 35 3HG2 ILE 35 -6.177 9.127 -31.513 214 1HD1 ILE 35 1HD1 ILE 35 -8.538 5.944 -32.921 215 2HD1 ILE 35 2HD1 ILE 35 -7.980 7.067 -31.658 216 3HD1 ILE 35 3HD1 ILE 35 -8.565 7.699 -33.216 217 H PHE 36 HN PHE 36 -3.978 5.631 -30.052 218 HA PHE 36 HA PHE 36 -2.191 7.609 -29.146 219 1HB PHE 36 2HB PHE 36 -3.319 4.929 -28.261 220 2HB PHE 36 3HB PHE 36 -1.950 5.552 -27.363 221 HD1 PHE 36 HD1 PHE 36 -2.800 6.212 -25.308 222 HD2 PHE 36 HD2 PHE 36 -4.851 7.371 -28.838 223 HE1 PHE 36 HE1 PHE 36 -4.347 7.640 -23.941 224 HE2 PHE 36 HE2 PHE 36 -6.397 8.798 -27.471 225 HZ PHE 36 HZ PHE 36 -6.127 8.916 -25.039 226 H SER 37 HN SER 37 -1.793 4.489 -30.771 227 HA SER 37 HA SER 37 0.771 3.922 -29.912 228 1HB SER 37 2HB SER 37 0.842 2.340 -31.706 229 2HB SER 37 3HB SER 37 -0.836 2.417 -31.206 230 HG SER 37 HG SER 37 0.399 3.478 -33.568 231 H GLU 38 HN GLU 38 -0.511 6.148 -32.384 232 HA GLU 38 HA GLU 38 1.914 6.518 -33.728 233 1HB GLU 38 2HB GLU 38 -0.011 7.158 -34.931 234 2HB GLU 38 3HB GLU 38 -0.705 8.018 -33.571 235 1HG GLU 38 2HG GLU 38 0.121 9.637 -35.222 236 2HG GLU 38 3HG GLU 38 1.077 9.762 -33.758 237 H VAL 39 HN VAL 39 0.871 7.415 -30.591 238 HA VAL 39 HA VAL 39 2.716 9.693 -30.533 239 HB VAL 39 HB VAL 39 0.615 8.862 -28.524 240 1HG1 VAL 39 1HG1 VAL 39 1.384 10.495 -27.211 241 2HG1 VAL 39 2HG1 VAL 39 2.777 10.646 -28.308 242 3HG1 VAL 39 3HG1 VAL 39 1.340 11.668 -28.550 243 1HG2 VAL 39 1HG2 VAL 39 0.149 9.865 -31.079 244 2HG2 VAL 39 2HG2 VAL 39 -0.978 9.905 -29.702 245 3HG2 VAL 39 3HG2 VAL 39 0.073 11.303 -30.033 246 H GLY 40 HN GLY 40 2.771 6.413 -30.189 247 1HA GLY 40 1HA GLY 40 5.070 5.782 -29.328 248 2HA GLY 40 2HA GLY 40 4.527 6.479 -27.814 249 HA PRO 41 HA PRO 41 3.197 2.075 -28.058 250 1HB PRO 41 2HB PRO 41 4.903 0.963 -26.236 251 2HB PRO 41 3HB PRO 41 5.187 0.922 -27.965 252 1HG PRO 41 2HG PRO 41 6.497 2.596 -25.910 253 2HG PRO 41 3HG PRO 41 7.039 2.229 -27.536 254 1HD PRO 41 2HD PRO 41 5.846 4.677 -26.636 255 2HD PRO 41 3HD PRO 41 6.281 4.267 -28.283 256 H VAL 42 HN VAL 42 1.322 1.697 -27.076 257 HA VAL 42 HA VAL 42 1.032 2.969 -24.474 258 HB VAL 42 HB VAL 42 -1.229 2.955 -24.860 259 1HG1 VAL 42 1HG1 VAL 42 -0.001 2.981 -27.638 260 2HG1 VAL 42 2HG1 VAL 42 -1.619 3.598 -27.225 261 3HG1 VAL 42 3HG1 VAL 42 -0.170 4.366 -26.533 262 1HG2 VAL 42 1HG2 VAL 42 -1.459 0.521 -25.156 263 2HG2 VAL 42 2HG2 VAL 42 -2.429 1.423 -26.345 264 3HG2 VAL 42 3HG2 VAL 42 -0.892 0.673 -26.836 265 H VAL 43 HN VAL 43 1.259 1.847 -22.612 266 HA VAL 43 HA VAL 43 1.998 -0.818 -22.574 267 HB VAL 43 HB VAL 43 0.781 0.933 -20.430 268 1HG1 VAL 43 1HG1 VAL 43 2.408 -0.860 -19.134 269 2HG1 VAL 43 2HG1 VAL 43 0.636 -0.984 -19.257 270 3HG1 VAL 43 3HG1 VAL 43 1.672 -1.875 -20.397 271 1HG2 VAL 43 1HG2 VAL 43 3.697 0.276 -20.951 272 2HG2 VAL 43 2HG2 VAL 43 2.889 1.758 -21.515 273 3HG2 VAL 43 3HG2 VAL 43 3.037 1.435 -19.771 274 H SER 44 HN SER 44 -1.194 0.644 -21.613 275 HA SER 44 HA SER 44 -2.513 -1.583 -22.803 276 1HB SER 44 2HB SER 44 -1.856 -1.717 -20.027 277 2HB SER 44 3HB SER 44 -3.575 -1.386 -20.105 278 HG SER 44 HG SER 44 -3.954 -3.359 -20.874 279 H PHE 45 HN PHE 45 -4.977 -1.275 -22.650 280 HA PHE 45 HA PHE 45 -5.758 1.416 -21.904 281 1HB PHE 45 2HB PHE 45 -4.920 1.068 -24.434 282 2HB PHE 45 3HB PHE 45 -6.455 0.250 -24.642 283 HD1 PHE 45 HD1 PHE 45 -7.750 2.266 -22.497 284 HD2 PHE 45 HD2 PHE 45 -5.625 2.697 -26.145 285 HE1 PHE 45 HE1 PHE 45 -8.873 4.476 -22.890 286 HE2 PHE 45 HE2 PHE 45 -6.749 4.907 -26.538 287 HZ PHE 45 HZ PHE 45 -8.360 5.770 -24.906 288 H ARG 46 HN ARG 46 -7.560 1.166 -20.678 289 HA ARG 46 HA ARG 46 -9.410 -0.901 -21.553 290 1HB ARG 46 2HB ARG 46 -8.361 -0.291 -18.772 291 2HB ARG 46 3HB ARG 46 -9.969 -0.965 -18.946 292 1HG ARG 46 2HG ARG 46 -8.050 -2.409 -20.630 293 2HG ARG 46 3HG ARG 46 -7.517 -2.386 -18.961 294 1HD ARG 46 2HD ARG 46 -9.886 -3.146 -18.304 295 2HD ARG 46 3HD ARG 46 -10.205 -3.383 -20.011 296 HE ARG 46 HE ARG 46 -7.794 -4.746 -19.495 297 1HH1 ARG 46 2HH2 ARG 46 -11.131 -4.920 -18.392 298 2HH1 ARG 46 1HH2 ARG 46 -11.067 -6.619 -18.062 299 1HH2 ARG 46 2HH1 ARG 46 -7.710 -6.988 -19.060 300 2HH2 ARG 46 1HH1 ARG 46 -9.108 -7.803 -18.444 301 H LEU 47 HN LEU 47 -11.611 -0.284 -21.568 302 HA LEU 47 HA LEU 47 -12.134 2.447 -20.618 303 1HB LEU 47 2HB LEU 47 -13.771 1.296 -22.806 304 2HB LEU 47 3HB LEU 47 -13.299 2.955 -22.497 305 HG LEU 47 HG LEU 47 -11.480 0.801 -23.612 306 1HD1 LEU 47 1HD1 LEU 47 -12.693 1.165 -25.472 307 2HD1 LEU 47 2HD1 LEU 47 -13.339 2.715 -24.883 308 3HD1 LEU 47 3HD1 LEU 47 -11.707 2.642 -25.588 309 1HD2 LEU 47 1HD2 LEU 47 -10.897 3.754 -23.601 310 2HD2 LEU 47 2HD2 LEU 47 -10.478 2.725 -22.210 311 3HD2 LEU 47 3HD2 LEU 47 -9.785 2.381 -23.813 312 H VAL 48 HN VAL 48 -14.709 2.704 -20.408 313 HA VAL 48 HA VAL 48 -15.442 0.634 -18.519 314 HB VAL 48 HB VAL 48 -17.379 2.271 -18.156 315 1HG1 VAL 48 1HG1 VAL 48 -15.719 2.173 -16.493 316 2HG1 VAL 48 2HG1 VAL 48 -14.481 2.883 -17.557 317 3HG1 VAL 48 3HG1 VAL 48 -15.803 3.897 -16.930 318 1HG2 VAL 48 1HG2 VAL 48 -15.721 4.458 -19.255 319 2HG2 VAL 48 2HG2 VAL 48 -16.507 3.424 -20.472 320 3HG2 VAL 48 3HG2 VAL 48 -17.489 4.250 -19.238 321 H TYR 49 HN TYR 49 -16.726 -1.057 -19.038 322 HA TYR 49 HA TYR 49 -18.509 -0.704 -21.351 323 1HB TYR 49 2HB TYR 49 -16.329 -2.620 -20.659 324 2HB TYR 49 3HB TYR 49 -17.827 -3.452 -21.025 325 HD1 TYR 49 HD1 TYR 49 -18.307 -3.986 -23.241 326 HD2 TYR 49 HD2 TYR 49 -15.612 -0.766 -22.423 327 HE1 TYR 49 HE1 TYR 49 -17.824 -3.749 -25.726 328 HE2 TYR 49 HE2 TYR 49 -15.138 -0.540 -24.910 329 HH TYR 49 HH TYR 49 -15.227 -2.114 -26.908 330 H ASP 50 HN ASP 50 -20.611 -0.891 -20.775 331 HA ASP 50 HA ASP 50 -21.285 -1.804 -18.212 332 1HB ASP 50 2HB ASP 50 -22.714 -0.822 -20.655 333 2HB ASP 50 3HB ASP 50 -23.670 -1.812 -19.569 334 H ARG 51 HN ARG 51 -21.191 -4.004 -17.705 335 HA ARG 51 HA ARG 51 -21.338 -5.943 -19.731 336 1HB ARG 51 2HB ARG 51 -21.267 -6.044 -16.688 337 2HB ARG 51 3HB ARG 51 -21.457 -7.513 -17.623 338 1HG ARG 51 2HG ARG 51 -19.346 -6.971 -18.877 339 2HG ARG 51 3HG ARG 51 -19.152 -5.527 -17.903 340 1HD ARG 51 2HD ARG 51 -17.906 -6.890 -16.540 341 2HD ARG 51 3HD ARG 51 -19.462 -7.398 -15.915 342 HE ARG 51 HE ARG 51 -19.174 -9.082 -18.048 343 1HH1 ARG 51 2HH2 ARG 51 -16.963 -8.207 -15.454 344 2HH1 ARG 51 1HH2 ARG 51 -16.136 -9.729 -15.472 345 1HH2 ARG 51 2HH1 ARG 51 -18.084 -11.091 -18.072 346 2HH2 ARG 51 1HH1 ARG 51 -16.778 -11.380 -16.972 347 H GLU 52 HN GLU 52 -23.623 -4.436 -17.468 348 HA GLU 52 HA GLU 52 -25.572 -6.455 -17.656 349 1HB GLU 52 2HB GLU 52 -25.222 -3.908 -16.308 350 2HB GLU 52 3HB GLU 52 -26.818 -3.963 -17.030 351 1HG GLU 52 2HG GLU 52 -27.483 -5.841 -15.769 352 2HG GLU 52 3HG GLU 52 -25.837 -6.391 -15.521 353 H THR 53 HN THR 53 -24.714 -3.574 -19.558 354 HA THR 53 HA THR 53 -27.092 -4.016 -21.233 355 HB THR 53 HB THR 53 -25.264 -1.609 -20.758 356 HG1 THR 53 HG1 THR 53 -28.129 -2.194 -20.491 357 1HG2 THR 53 1HG2 THR 53 -26.730 -0.367 -22.282 358 2HG2 THR 53 2HG2 THR 53 -26.064 -1.753 -23.179 359 3HG2 THR 53 3HG2 THR 53 -27.731 -1.813 -22.560 360 H GLY 54 HN GLY 54 -23.883 -4.919 -20.990 361 1HA GLY 54 1HA GLY 54 -22.353 -5.664 -22.462 362 2HA GLY 54 2HA GLY 54 -23.725 -6.113 -23.456 363 H LYS 55 HN LYS 55 -23.410 -2.706 -22.650 364 HA LYS 55 HA LYS 55 -22.343 -2.232 -25.346 365 1HB LYS 55 2HB LYS 55 -24.494 -0.734 -23.827 366 2HB LYS 55 3HB LYS 55 -23.718 -0.115 -25.270 367 1HG LYS 55 2HG LYS 55 -24.612 -1.830 -26.651 368 2HG LYS 55 3HG LYS 55 -24.918 -2.899 -25.297 369 1HD LYS 55 2HD LYS 55 -27.038 -2.113 -25.168 370 2HD LYS 55 3HD LYS 55 -26.418 -0.521 -24.778 371 1HE LYS 55 2HE LYS 55 -26.230 -1.202 -27.667 372 2HE LYS 55 3HE LYS 55 -27.873 -1.152 -27.060 373 1HZ LYS 55 1HZ LYS 55 -27.486 1.039 -26.243 374 2HZ LYS 55 2HZ LYS 55 -25.907 0.994 -26.659 375 3HZ LYS 55 3HZ LYS 55 -27.057 0.998 -27.818 376 HA PRO 56 HA PRO 56 -19.234 -0.011 -23.332 377 1HB PRO 56 2HB PRO 56 -18.261 1.480 -25.406 378 2HB PRO 56 3HB PRO 56 -17.831 -0.199 -25.148 379 1HG PRO 56 2HG PRO 56 -19.662 0.956 -27.160 380 2HG PRO 56 3HG PRO 56 -18.898 -0.621 -27.149 381 1HD PRO 56 2HD PRO 56 -21.630 -0.034 -26.505 382 2HD PRO 56 3HD PRO 56 -20.836 -1.591 -26.382 383 H LYS 57 HN LYS 57 -18.937 1.734 -22.035 384 HA LYS 57 HA LYS 57 -21.074 3.495 -21.840 385 1HB LYS 57 2HB LYS 57 -18.537 3.017 -20.528 386 2HB LYS 57 3HB LYS 57 -18.816 4.739 -20.697 387 1HG LYS 57 2HG LYS 57 -20.845 2.763 -19.549 388 2HG LYS 57 3HG LYS 57 -19.792 3.777 -18.583 389 1HD LYS 57 2HD LYS 57 -21.201 5.542 -18.796 390 2HD LYS 57 3HD LYS 57 -21.137 5.440 -20.544 391 1HE LYS 57 2HE LYS 57 -23.013 3.985 -20.663 392 2HE LYS 57 3HE LYS 57 -22.847 3.470 -18.997 393 1HZ LYS 57 1HZ LYS 57 -23.672 5.492 -18.247 394 2HZ LYS 57 2HZ LYS 57 -23.468 6.248 -19.680 395 3HZ LYS 57 3HZ LYS 57 -24.640 5.123 -19.509 396 H GLY 58 HN GLY 58 -17.736 4.080 -23.160 397 1HA GLY 58 1HA GLY 58 -17.984 5.195 -25.452 398 2HA GLY 58 2HA GLY 58 -18.815 6.446 -24.548 399 H TYR 59 HN TYR 59 -16.917 5.674 -22.144 400 HA TYR 59 HA TYR 59 -14.559 7.098 -23.179 401 1HB TYR 59 2HB TYR 59 -14.581 8.091 -20.791 402 2HB TYR 59 3HB TYR 59 -15.935 8.595 -21.783 403 HD1 TYR 59 HD1 TYR 59 -18.196 7.570 -21.424 404 HD2 TYR 59 HD2 TYR 59 -14.906 6.783 -18.804 405 HE1 TYR 59 HE1 TYR 59 -19.804 6.718 -19.648 406 HE2 TYR 59 HE2 TYR 59 -16.525 5.935 -17.038 407 HH TYR 59 HH TYR 59 -18.714 5.021 -16.896 408 H GLY 60 HN GLY 60 -12.541 6.682 -21.978 409 1HA GLY 60 1HA GLY 60 -12.487 4.484 -20.110 410 2HA GLY 60 2HA GLY 60 -11.865 4.077 -21.697 411 H PHE 61 HN PHE 61 -9.893 3.777 -20.104 412 HA PHE 61 HA PHE 61 -8.386 6.286 -20.222 413 1HB PHE 61 2HB PHE 61 -8.503 4.138 -18.021 414 2HB PHE 61 3HB PHE 61 -7.349 5.457 -18.019 415 HD1 PHE 61 HD1 PHE 61 -7.946 7.593 -17.201 416 HD2 PHE 61 HD2 PHE 61 -10.960 4.672 -17.825 417 HE1 PHE 61 HE1 PHE 61 -9.597 9.036 -15.980 418 HE2 PHE 61 HE2 PHE 61 -12.611 6.115 -16.605 419 HZ PHE 61 HZ PHE 61 -11.910 8.280 -15.697 420 H CYS 62 HN CYS 62 -6.234 6.094 -20.885 421 HA CYS 62 HA CYS 62 -5.425 3.357 -21.556 422 1HB CYS 62 2HB CYS 62 -5.839 4.517 -23.607 423 2HB CYS 62 3HB CYS 62 -4.972 5.942 -23.069 424 HG CYS 62 HG CYS 62 -3.782 4.241 -24.949 425 H GLU 63 HN GLU 63 -3.640 2.676 -20.418 426 HA GLU 63 HA GLU 63 -2.122 4.744 -19.061 427 1HB GLU 63 2HB GLU 63 -2.834 3.185 -17.457 428 2HB GLU 63 3HB GLU 63 -2.651 1.820 -18.540 429 1HG GLU 63 2HG GLU 63 -0.276 1.782 -18.297 430 2HG GLU 63 3HG GLU 63 -0.218 3.421 -17.680 431 H TYR 64 HN TYR 64 -0.092 5.281 -19.754 432 HA TYR 64 HA TYR 64 1.065 3.635 -21.859 433 1HB TYR 64 2HB TYR 64 1.251 6.437 -20.701 434 2HB TYR 64 3HB TYR 64 2.692 5.830 -21.494 435 HD1 TYR 64 HD1 TYR 64 2.572 5.152 -23.929 436 HD2 TYR 64 HD2 TYR 64 -0.622 7.208 -21.961 437 HE1 TYR 64 HE1 TYR 64 1.607 5.826 -26.183 438 HE2 TYR 64 HE2 TYR 64 -1.576 7.875 -24.221 439 HH TYR 64 HH TYR 64 -0.254 6.575 -27.190 440 H GLN 65 HN GLN 65 3.762 4.164 -21.624 441 HA GLN 65 HA GLN 65 4.353 2.792 -19.121 442 1HB GLN 65 2HB GLN 65 4.883 1.933 -21.664 443 2HB GLN 65 3HB GLN 65 6.372 2.792 -21.323 444 1HG GLN 65 2HG GLN 65 6.981 1.351 -19.583 445 2HG GLN 65 3HG GLN 65 5.322 0.954 -19.182 446 1HE2 GLN 65 1HE2 GLN 65 7.297 0.851 -22.149 447 2HE2 GLN 65 2HE2 GLN 65 6.986 -0.802 -22.562 448 H ASP 66 HN ASP 66 4.664 5.747 -20.854 449 HA ASP 66 HA ASP 66 6.676 6.581 -18.932 450 1HB ASP 66 2HB ASP 66 6.775 7.956 -21.565 451 2HB ASP 66 3HB ASP 66 8.092 7.452 -20.525 452 H GLN 67 HN GLN 67 6.160 8.617 -18.006 453 HA GLN 67 HA GLN 67 3.602 9.571 -18.285 454 1HB GLN 67 2HB GLN 67 6.012 10.257 -16.807 455 2HB GLN 67 3HB GLN 67 5.220 11.723 -17.350 456 1HG GLN 67 2HG GLN 67 3.479 11.450 -15.903 457 2HG GLN 67 3HG GLN 67 3.276 9.763 -16.331 458 1HE2 GLN 67 1HE2 GLN 67 3.930 8.231 -14.990 459 2HE2 GLN 67 2HE2 GLN 67 4.857 8.457 -13.545 460 H GLU 68 HN GLU 68 6.674 10.573 -19.866 461 HA GLU 68 HA GLU 68 5.677 12.888 -21.016 462 1HB GLU 68 2HB GLU 68 8.065 12.497 -20.895 463 2HB GLU 68 3HB GLU 68 7.938 11.015 -21.822 464 1HG GLU 68 2HG GLU 68 7.003 12.447 -23.753 465 2HG GLU 68 3HG GLU 68 7.469 13.857 -22.822 466 H THR 69 HN THR 69 5.599 9.450 -22.022 467 HA THR 69 HA THR 69 4.711 9.928 -24.662 468 HB THR 69 HB THR 69 4.263 7.472 -22.893 469 HG1 THR 69 HG1 THR 69 6.468 7.006 -23.881 470 1HG2 THR 69 1HG2 THR 69 4.615 7.963 -25.889 471 2HG2 THR 69 2HG2 THR 69 4.875 6.364 -25.152 472 3HG2 THR 69 3HG2 THR 69 3.269 7.128 -25.075 473 H ALA 70 HN ALA 70 2.988 9.353 -21.550 474 HA ALA 70 HA ALA 70 0.435 9.300 -22.752 475 1HB ALA 70 1HB ALA 70 0.559 10.219 -19.964 476 2HB ALA 70 2HB ALA 70 -0.192 8.759 -20.651 477 3HB ALA 70 3HB ALA 70 1.544 8.766 -20.259 478 H LEU 71 HN LEU 71 2.533 11.868 -21.364 479 HA LEU 71 HA LEU 71 0.548 13.872 -21.458 480 1HB LEU 71 2HB LEU 71 3.463 13.692 -20.974 481 2HB LEU 71 3HB LEU 71 2.871 15.244 -21.536 482 HG LEU 71 HG LEU 71 1.672 13.814 -19.155 483 1HD1 LEU 71 1HD1 LEU 71 3.784 14.083 -18.316 484 2HD1 LEU 71 2HD1 LEU 71 4.140 15.492 -19.343 485 3HD1 LEU 71 3HD1 LEU 71 3.085 15.671 -17.920 486 1HD2 LEU 71 1HD2 LEU 71 0.844 16.045 -18.567 487 2HD2 LEU 71 2HD2 LEU 71 1.582 16.711 -20.043 488 3HD2 LEU 71 3HD2 LEU 71 0.260 15.526 -20.166 489 H SER 72 HN SER 72 3.088 12.724 -23.737 490 HA SER 72 HA SER 72 2.752 14.776 -25.566 491 1HB SER 72 2HB SER 72 4.608 12.972 -25.399 492 2HB SER 72 3HB SER 72 3.517 11.921 -26.280 493 HG SER 72 HG SER 72 4.916 12.986 -27.759 494 H ALA 73 HN ALA 73 1.074 11.641 -25.068 495 HA ALA 73 HA ALA 73 -0.351 11.675 -27.498 496 1HB ALA 73 1HB ALA 73 -1.582 10.355 -25.144 497 2HB ALA 73 2HB ALA 73 -1.150 9.687 -26.736 498 3HB ALA 73 3HB ALA 73 0.098 9.877 -25.482 499 H MET 74 HN MET 74 -0.923 13.023 -24.220 500 HA MET 74 HA MET 74 -3.588 13.673 -24.633 501 1HB MET 74 2HB MET 74 -1.576 13.972 -22.618 502 2HB MET 74 3HB MET 74 -2.160 15.595 -22.928 503 1HG MET 74 2HG MET 74 -4.512 14.036 -22.848 504 2HG MET 74 3HG MET 74 -3.515 13.356 -21.578 505 1HE MET 74 1HE MET 74 -1.724 15.834 -20.684 506 2HE MET 74 2HE MET 74 -2.719 16.416 -19.327 507 3HE MET 74 3HE MET 74 -2.520 14.668 -19.600 508 H ARG 75 HN ARG 75 -0.540 15.561 -25.130 509 HA ARG 75 HA ARG 75 -1.986 17.830 -25.996 510 1HB ARG 75 2HB ARG 75 0.359 17.787 -24.914 511 2HB ARG 75 3HB ARG 75 0.974 17.226 -26.456 512 1HG ARG 75 2HG ARG 75 0.205 19.259 -27.584 513 2HG ARG 75 3HG ARG 75 -0.652 19.790 -26.150 514 1HD ARG 75 2HD ARG 75 2.265 19.225 -25.769 515 2HD ARG 75 3HD ARG 75 1.890 20.600 -26.789 516 HE ARG 75 HE ARG 75 0.372 20.525 -24.270 517 1HH1 ARG 75 2HH2 ARG 75 3.291 21.653 -25.880 518 2HH1 ARG 75 1HH2 ARG 75 3.579 22.927 -24.743 519 1HH2 ARG 75 2HH1 ARG 75 0.752 22.207 -22.770 520 2HH2 ARG 75 1HH1 ARG 75 2.125 23.245 -22.962 521 H ASN 76 HN ASN 76 -0.665 14.902 -27.450 522 HA ASN 76 HA ASN 76 -0.469 15.941 -30.061 523 1HB ASN 76 2HB ASN 76 -0.381 13.208 -28.773 524 2HB ASN 76 3HB ASN 76 -0.656 13.271 -30.502 525 1HD2 ASN 76 1HD2 ASN 76 1.168 15.640 -28.649 526 2HD2 ASN 76 2HD2 ASN 76 2.733 15.313 -29.317 527 H LEU 77 HN LEU 77 -2.937 14.289 -28.052 528 HA LEU 77 HA LEU 77 -4.766 14.262 -30.339 529 1HB LEU 77 2HB LEU 77 -4.679 12.739 -27.745 530 2HB LEU 77 3HB LEU 77 -6.135 12.825 -28.716 531 HG LEU 77 HG LEU 77 -4.861 11.848 -30.635 532 1HD1 LEU 77 1HD1 LEU 77 -2.707 10.757 -30.205 533 2HD1 LEU 77 2HD1 LEU 77 -2.610 12.521 -29.986 534 3HD1 LEU 77 3HD1 LEU 77 -2.682 11.451 -28.566 535 1HD2 LEU 77 1HD2 LEU 77 -5.003 9.592 -29.870 536 2HD2 LEU 77 2HD2 LEU 77 -4.801 10.089 -28.173 537 3HD2 LEU 77 3HD2 LEU 77 -6.286 10.519 -29.056 538 H ASN 78 HN ASN 78 -5.680 14.362 -26.888 539 HA ASN 78 HA ASN 78 -7.191 15.636 -25.929 540 1HB ASN 78 2HB ASN 78 -5.397 16.968 -25.177 541 2HB ASN 78 3HB ASN 78 -4.948 17.464 -26.797 542 1HD2 ASN 78 1HD2 ASN 78 -5.367 19.462 -27.315 543 2HD2 ASN 78 2HD2 ASN 78 -6.603 20.484 -26.663 544 H GLY 79 HN GLY 79 -9.068 15.378 -27.330 545 1HA GLY 79 1HA GLY 79 -10.774 16.164 -28.571 546 2HA GLY 79 2HA GLY 79 -10.043 17.756 -28.518 547 H ARG 80 HN ARG 80 -8.514 14.747 -29.788 548 HA ARG 80 HA ARG 80 -7.944 16.141 -32.199 549 1HB ARG 80 2HB ARG 80 -6.709 14.094 -30.769 550 2HB ARG 80 3HB ARG 80 -7.409 13.213 -32.112 551 1HG ARG 80 2HG ARG 80 -5.892 15.776 -32.661 552 2HG ARG 80 3HG ARG 80 -4.995 14.306 -32.337 553 1HD ARG 80 2HD ARG 80 -7.238 14.223 -34.369 554 2HD ARG 80 3HD ARG 80 -5.706 14.938 -34.831 555 HE ARG 80 HE ARG 80 -6.212 12.096 -34.242 556 1HH1 ARG 80 2HH2 ARG 80 -3.785 14.608 -34.668 557 2HH1 ARG 80 1HH2 ARG 80 -2.507 13.492 -35.017 558 1HH2 ARG 80 2HH1 ARG 80 -4.526 10.624 -34.702 559 2HH2 ARG 80 1HH1 ARG 80 -2.931 11.211 -35.036 560 H GLU 81 HN GLU 81 -9.226 16.112 -34.024 561 HA GLU 81 HA GLU 81 -11.642 14.798 -34.053 562 1HB GLU 81 2HB GLU 81 -10.122 15.672 -36.539 563 2HB GLU 81 3HB GLU 81 -11.859 15.597 -36.322 564 1HG GLU 81 2HG GLU 81 -11.887 17.709 -35.500 565 2HG GLU 81 3HG GLU 81 -10.774 17.260 -34.223 566 H PHE 82 HN PHE 82 -12.373 12.827 -34.887 567 HA PHE 82 HA PHE 82 -11.003 11.265 -36.707 568 1HB PHE 82 2HB PHE 82 -9.293 11.020 -34.933 569 2HB PHE 82 3HB PHE 82 -10.524 10.721 -33.722 570 HD1 PHE 82 HD1 PHE 82 -8.255 9.229 -35.998 571 HD2 PHE 82 HD2 PHE 82 -11.958 8.584 -34.028 572 HE1 PHE 82 HE1 PHE 82 -8.024 6.758 -36.373 573 HE2 PHE 82 HE2 PHE 82 -11.727 6.113 -34.402 574 HZ PHE 82 HZ PHE 82 -9.763 5.229 -35.571 575 H SER 83 HN SER 83 -13.019 11.314 -33.721 576 HA SER 83 HA SER 83 -14.516 9.067 -34.708 577 1HB SER 83 2HB SER 83 -14.529 10.695 -32.153 578 2HB SER 83 3HB SER 83 -15.874 9.633 -32.519 579 HG SER 83 HG SER 83 -13.686 8.168 -32.983 580 H GLY 84 HN GLY 84 -14.424 11.842 -36.044 581 1HA GLY 84 1HA GLY 84 -15.953 12.931 -37.328 582 2HA GLY 84 2HA GLY 84 -17.248 12.014 -36.584 583 H ARG 85 HN ARG 85 -15.240 13.252 -34.124 584 HA ARG 85 HA ARG 85 -16.628 15.778 -34.049 585 1HB ARG 85 2HB ARG 85 -17.132 13.483 -32.232 586 2HB ARG 85 3HB ARG 85 -16.769 14.968 -31.376 587 1HG ARG 85 2HG ARG 85 -18.543 16.155 -32.689 588 2HG ARG 85 3HG ARG 85 -18.909 14.666 -33.538 589 1HD ARG 85 2HD ARG 85 -19.018 13.909 -30.830 590 2HD ARG 85 3HD ARG 85 -19.713 15.518 -30.828 591 HE ARG 85 HE ARG 85 -21.544 14.725 -32.075 592 1HH1 ARG 85 2HH2 ARG 85 -18.979 12.316 -32.063 593 2HH1 ARG 85 1HH2 ARG 85 -19.964 11.078 -32.769 594 1HH2 ARG 85 2HH1 ARG 85 -22.844 13.092 -33.006 595 2HH2 ARG 85 1HH1 ARG 85 -22.177 11.523 -33.310 596 H ALA 86 HN ALA 86 -14.638 13.648 -31.853 597 HA ALA 86 HA ALA 86 -12.207 14.731 -32.160 598 1HB ALA 86 1HB ALA 86 -12.315 16.392 -30.073 599 2HB ALA 86 2HB ALA 86 -12.668 16.954 -31.725 600 3HB ALA 86 3HB ALA 86 -14.002 16.573 -30.610 601 H LEU 87 HN LEU 87 -10.745 13.762 -30.716 602 HA LEU 87 HA LEU 87 -12.029 11.958 -28.817 603 1HB LEU 87 2HB LEU 87 -9.549 11.941 -30.439 604 2HB LEU 87 3HB LEU 87 -9.446 11.197 -28.856 605 HG LEU 87 HG LEU 87 -10.095 9.809 -31.002 606 1HD1 LEU 87 1HD1 LEU 87 -11.650 8.416 -29.377 607 2HD1 LEU 87 2HD1 LEU 87 -9.895 8.546 -29.109 608 3HD1 LEU 87 3HD1 LEU 87 -11.016 9.562 -28.171 609 1HD2 LEU 87 1HD2 LEU 87 -12.157 11.502 -31.179 610 2HD2 LEU 87 2HD2 LEU 87 -12.248 9.808 -31.719 611 3HD2 LEU 87 3HD2 LEU 87 -12.901 10.272 -30.130 612 H ARG 88 HN ARG 88 -12.481 13.265 -27.032 613 HA ARG 88 HA ARG 88 -10.716 15.175 -26.094 614 1HB ARG 88 2HB ARG 88 -13.125 13.727 -25.004 615 2HB ARG 88 3HB ARG 88 -12.134 14.597 -23.851 616 1HG ARG 88 2HG ARG 88 -12.310 16.520 -25.761 617 2HG ARG 88 3HG ARG 88 -13.798 15.664 -26.116 618 1HD ARG 88 2HD ARG 88 -14.585 15.945 -23.802 619 2HD ARG 88 3HD ARG 88 -13.045 16.626 -23.315 620 HE ARG 88 HE ARG 88 -15.198 18.042 -24.619 621 1HH1 ARG 88 2HH2 ARG 88 -11.687 17.883 -24.461 622 2HH1 ARG 88 1HH2 ARG 88 -11.463 19.537 -24.924 623 1HH2 ARG 88 2HH1 ARG 88 -14.905 20.224 -25.229 624 2HH2 ARG 88 1HH1 ARG 88 -13.306 20.878 -25.363 625 H VAL 89 HN VAL 89 -8.757 14.910 -25.069 626 HA VAL 89 HA VAL 89 -8.399 12.445 -23.513 627 HB VAL 89 HB VAL 89 -6.260 13.829 -25.131 628 1HG1 VAL 89 1HG1 VAL 89 -6.243 10.967 -24.182 629 2HG1 VAL 89 2HG1 VAL 89 -4.877 12.020 -24.622 630 3HG1 VAL 89 3HG1 VAL 89 -5.754 12.290 -23.097 631 1HG2 VAL 89 1HG2 VAL 89 -6.774 11.395 -26.370 632 2HG2 VAL 89 2HG2 VAL 89 -8.396 12.042 -26.023 633 3HG2 VAL 89 3HG2 VAL 89 -7.237 13.005 -26.971 634 H ASP 90 HN ASP 90 -7.979 12.833 -21.402 635 HA ASP 90 HA ASP 90 -6.598 15.308 -20.787 636 1HB ASP 90 2HB ASP 90 -8.443 14.800 -18.660 637 2HB ASP 90 3HB ASP 90 -8.399 16.186 -19.732 638 H ASN 91 HN ASN 91 -5.230 15.097 -18.891 639 HA ASN 91 HA ASN 91 -4.103 12.739 -18.393 640 1HB ASN 91 2HB ASN 91 -3.881 15.313 -17.354 641 2HB ASN 91 3HB ASN 91 -4.385 14.413 -15.937 642 1HD2 ASN 91 1HD2 ASN 91 -2.937 13.322 -14.828 643 2HD2 ASN 91 2HD2 ASN 91 -1.324 12.933 -15.326 644 H ALA 92 HN ALA 92 -4.541 10.912 -17.069 645 HA ALA 92 HA ALA 92 -7.210 10.614 -16.138 646 1HB ALA 92 1HB ALA 92 -4.789 8.834 -15.663 647 2HB ALA 92 2HB ALA 92 -6.504 8.363 -15.605 648 3HB ALA 92 3HB ALA 92 -5.758 8.819 -17.156 649 H ALA 93 HN ALA 93 -4.372 12.056 -14.847 650 HA ALA 93 HA ALA 93 -5.095 11.446 -12.097 651 1HB ALA 93 1HB ALA 93 -2.947 12.072 -11.579 652 2HB ALA 93 2HB ALA 93 -2.691 11.663 -13.292 653 3HB ALA 93 3HB ALA 93 -2.910 13.361 -12.805 654 H SER 94 HN SER 94 -6.822 13.056 -14.043 655 HA SER 94 HA SER 94 -6.598 15.718 -13.069 656 1HB SER 94 2HB SER 94 -8.133 14.267 -15.122 657 2HB SER 94 3HB SER 94 -9.110 15.461 -14.292 658 HG SER 94 HG SER 94 -8.171 16.654 -15.886 659 H GLU 95 HN GLU 95 -8.203 16.829 -11.737 660 HA GLU 95 HA GLU 95 -9.065 15.281 -9.599 661 1HB GLU 95 2HB GLU 95 -9.280 18.126 -10.462 662 2HB GLU 95 3HB GLU 95 -10.525 17.597 -9.348 663 1HG GLU 95 2HG GLU 95 -8.819 18.314 -7.888 664 2HG GLU 95 3HG GLU 95 -8.556 16.583 -7.945 665 H LYS 96 HN LYS 96 -10.668 16.438 -12.580 666 HA LYS 96 HA LYS 96 -13.260 15.585 -11.671 667 1HB LYS 96 2HB LYS 96 -13.298 17.489 -13.043 668 2HB LYS 96 3HB LYS 96 -12.168 16.811 -14.197 669 1HG LYS 96 2HG LYS 96 -14.313 16.646 -15.248 670 2HG LYS 96 3HG LYS 96 -13.935 15.019 -14.718 671 1HD LYS 96 2HD LYS 96 -15.977 15.049 -13.706 672 2HD LYS 96 3HD LYS 96 -15.214 16.040 -12.478 673 1HE LYS 96 2HE LYS 96 -17.132 17.293 -13.139 674 2HE LYS 96 3HE LYS 96 -15.797 18.083 -13.954 675 1HZ LYS 96 1HZ LYS 96 -16.650 17.539 -15.900 676 2HZ LYS 96 2HZ LYS 96 -16.854 15.968 -15.501 677 3HZ LYS 96 3HZ LYS 96 -18.010 17.062 -15.132 678 H ASN 97 HN ASN 97 -10.538 14.335 -13.600 679 HA ASN 97 HA ASN 97 -12.002 12.235 -14.738 680 1HB ASN 97 2HB ASN 97 -9.020 12.698 -14.255 681 2HB ASN 97 3HB ASN 97 -9.607 11.256 -15.060 682 1HD2 ASN 97 1HD2 ASN 97 -8.481 11.864 -16.925 683 2HD2 ASN 97 2HD2 ASN 97 -9.070 13.074 -18.015 684 H LYS 98 HN LYS 98 -10.642 12.890 -11.586 685 HA LYS 98 HA LYS 98 -10.037 10.264 -10.786 686 1HB LYS 98 2HB LYS 98 -9.143 12.247 -9.669 687 2HB LYS 98 3HB LYS 98 -10.751 12.729 -9.169 688 1HG LYS 98 2HG LYS 98 -10.932 10.440 -7.987 689 2HG LYS 98 3HG LYS 98 -9.219 10.241 -8.298 690 1HD LYS 98 2HD LYS 98 -8.660 11.621 -6.580 691 2HD LYS 98 3HD LYS 98 -9.724 12.885 -7.164 692 1HE LYS 98 2HE LYS 98 -11.379 12.341 -5.682 693 2HE LYS 98 3HE LYS 98 -11.224 10.624 -5.999 694 1HZ LYS 98 1HZ LYS 98 -10.584 11.136 -3.768 695 2HZ LYS 98 2HZ LYS 98 -9.269 10.615 -4.584 696 3HZ LYS 98 3HZ LYS 98 -9.455 12.206 -4.266 697 H GLU 99 HN GLU 99 -13.036 12.174 -10.973 698 HA GLU 99 HA GLU 99 -14.530 10.527 -9.293 699 1HB GLU 99 2HB GLU 99 -14.969 12.810 -11.045 700 2HB GLU 99 3HB GLU 99 -16.269 11.652 -11.249 701 1HG GLU 99 2HG GLU 99 -17.156 12.659 -9.393 702 2HG GLU 99 3HG GLU 99 -16.043 11.629 -8.514 703 H GLU 100 HN GLU 100 -13.819 10.476 -12.818 704 HA GLU 100 HA GLU 100 -15.659 8.418 -13.353 705 1HB GLU 100 2HB GLU 100 -13.303 9.584 -14.878 706 2HB GLU 100 3HB GLU 100 -14.235 8.246 -15.520 707 1HG GLU 100 2HG GLU 100 -16.209 9.536 -15.728 708 2HG GLU 100 3HG GLU 100 -15.694 10.707 -14.530 709 H LEU 101 HN LEU 101 -12.128 8.565 -12.643 710 HA LEU 101 HA LEU 101 -11.614 5.858 -13.144 711 1HB LEU 101 2HB LEU 101 -10.257 8.072 -11.664 712 2HB LEU 101 3HB LEU 101 -9.684 6.431 -11.443 713 HG LEU 101 HG LEU 101 -10.029 7.067 -14.267 714 1HD1 LEU 101 1HD1 LEU 101 -9.489 9.281 -13.996 715 2HD1 LEU 101 2HD1 LEU 101 -8.497 8.982 -12.549 716 3HD1 LEU 101 3HD1 LEU 101 -7.869 8.563 -14.161 717 1HD2 LEU 101 1HD2 LEU 101 -8.752 5.193 -13.843 718 2HD2 LEU 101 2HD2 LEU 101 -7.503 6.425 -14.145 719 3HD2 LEU 101 3HD2 LEU 101 -7.897 5.948 -12.476 720 H LYS 102 HN LYS 102 -12.983 7.618 -10.370 721 HA LYS 102 HA LYS 102 -12.607 5.812 -8.361 722 1HB LYS 102 2HB LYS 102 -13.938 8.159 -8.640 723 2HB LYS 102 3HB LYS 102 -15.296 7.058 -8.525 724 1HG LYS 102 2HG LYS 102 -14.931 7.429 -6.263 725 2HG LYS 102 3HG LYS 102 -13.889 6.038 -6.488 726 1HD LYS 102 2HD LYS 102 -11.914 7.337 -6.479 727 2HD LYS 102 3HD LYS 102 -12.750 8.802 -6.954 728 1HE LYS 102 2HE LYS 102 -13.231 7.449 -4.262 729 2HE LYS 102 3HE LYS 102 -11.989 8.665 -4.492 730 1HZ LYS 102 1HZ LYS 102 -14.444 9.261 -3.832 731 2HZ LYS 102 2HZ LYS 102 -13.517 10.275 -4.714 732 3HZ LYS 102 3HZ LYS 102 -14.626 9.331 -5.453 733 H SER 103 HN SER 103 -14.635 5.555 -11.246 734 HA SER 103 HA SER 103 -16.071 3.333 -10.154 735 1HB SER 103 2HB SER 103 -16.395 5.173 -12.346 736 2HB SER 103 3HB SER 103 -16.388 3.552 -13.011 737 HG SER 103 HG SER 103 -17.979 3.075 -11.163 738 H LEU 104 HN LEU 104 -13.358 4.012 -12.395 739 HA LEU 104 HA LEU 104 -13.155 1.230 -13.144 740 1HB LEU 104 2HB LEU 104 -12.358 3.737 -14.217 741 2HB LEU 104 3HB LEU 104 -10.903 2.800 -13.941 742 HG LEU 104 HG LEU 104 -11.575 1.083 -15.409 743 1HD1 LEU 104 1HD1 LEU 104 -13.935 1.272 -16.514 744 2HD1 LEU 104 2HD1 LEU 104 -13.753 0.520 -14.911 745 3HD1 LEU 104 3HD1 LEU 104 -14.336 2.196 -15.046 746 1HD2 LEU 104 1HD2 LEU 104 -12.045 2.246 -17.526 747 2HD2 LEU 104 2HD2 LEU 104 -12.455 3.720 -16.616 748 3HD2 LEU 104 3HD2 LEU 104 -10.797 3.074 -16.563 749 H GLY 105 HN GLY 105 -12.656 2.684 -10.308 750 1HA GLY 105 1HA GLY 105 -9.929 1.918 -9.759 751 2HA GLY 105 2HA GLY 105 -11.114 2.556 -8.637 752 H THR 106 HN THR 106 -10.537 -0.413 -10.660 753 HA THR 106 HA THR 106 -11.884 -2.000 -8.613 754 HB THR 106 HB THR 106 -11.661 -3.778 -10.411 755 HG1 THR 106 HG1 THR 106 -10.064 -3.232 -11.842 756 1HG2 THR 106 1HG2 THR 106 -13.561 -2.961 -11.383 757 2HG2 THR 106 2HG2 THR 106 -13.289 -1.431 -10.516 758 3HG2 THR 106 3HG2 THR 106 -12.636 -1.652 -12.157 759 H GLY 107 HN GLY 107 -8.680 -1.715 -10.256 760 1HA GLY 107 1HA GLY 107 -6.632 -2.086 -9.323 761 2HA GLY 107 2HA GLY 107 -7.388 -2.646 -7.845 762 H ALA 108 HN ALA 108 -5.997 -3.559 -10.924 763 HA ALA 108 HA ALA 108 -6.206 -6.353 -10.120 764 1HB ALA 108 1HB ALA 108 -7.071 -7.082 -12.203 765 2HB ALA 108 2HB ALA 108 -8.078 -5.680 -11.767 766 3HB ALA 108 3HB ALA 108 -6.781 -5.504 -12.973 767 HA PRO 109 HA PRO 109 -2.102 -6.319 -11.480 768 1HB PRO 109 2HB PRO 109 -1.655 -8.961 -12.016 769 2HB PRO 109 3HB PRO 109 -1.639 -8.296 -10.395 770 1HG PRO 109 2HG PRO 109 -3.718 -9.940 -11.704 771 2HG PRO 109 3HG PRO 109 -3.479 -9.629 -9.996 772 1HD PRO 109 2HD PRO 109 -5.459 -8.439 -11.696 773 2HD PRO 109 3HD PRO 109 -5.143 -8.044 -10.018 774 H VAL 110 HN VAL 110 -2.572 -4.913 -13.291 775 HA VAL 110 HA VAL 110 -2.330 -6.477 -15.769 776 HB VAL 110 HB VAL 110 -3.588 -4.702 -16.876 777 1HG1 VAL 110 1HG1 VAL 110 -4.720 -6.721 -15.898 778 2HG1 VAL 110 2HG1 VAL 110 -5.134 -5.732 -14.477 779 3HG1 VAL 110 3HG1 VAL 110 -5.775 -5.299 -16.080 780 1HG2 VAL 110 1HG2 VAL 110 -2.997 -2.831 -15.398 781 2HG2 VAL 110 2HG2 VAL 110 -4.761 -2.973 -15.586 782 3HG2 VAL 110 3HG2 VAL 110 -3.976 -3.545 -14.094 783 H ILE 111 HN ILE 111 -0.694 -5.893 -17.177 784 HA ILE 111 HA ILE 111 1.260 -4.075 -16.085 785 HB ILE 111 HB ILE 111 2.658 -4.878 -17.921 786 1HG1 ILE 111 2HG1 ILE 111 1.187 -7.067 -18.928 787 2HG1 ILE 111 3HG1 ILE 111 0.116 -5.685 -19.040 788 1HG2 ILE 111 1HG2 ILE 111 2.107 -7.492 -17.193 789 2HG2 ILE 111 2HG2 ILE 111 3.168 -6.352 -16.330 790 3HG2 ILE 111 3HG2 ILE 111 1.468 -6.534 -15.836 791 1HD1 ILE 111 1HD1 ILE 111 2.474 -4.559 -19.907 792 2HD1 ILE 111 2HD1 ILE 111 2.656 -6.233 -20.485 793 3HD1 ILE 111 3HD1 ILE 111 1.247 -5.267 -20.986 Start of MODEL 2 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 2.420 1.026 -1.371 3 1HB ASP 8 2HB ASP 8 3.027 -1.842 -1.785 4 2HB ASP 8 3HB ASP 8 4.126 -0.487 -1.626 5 HA PRO 9 HA PRO 9 -0.001 -0.432 -4.735 6 1HB PRO 9 2HB PRO 9 1.724 -0.782 -6.825 7 2HB PRO 9 3HB PRO 9 1.146 0.791 -6.313 8 1HG PRO 9 2HG PRO 9 3.800 -0.438 -5.885 9 2HG PRO 9 3HG PRO 9 3.340 1.248 -5.768 10 1HD PRO 9 2HD PRO 9 3.805 -0.559 -3.590 11 2HD PRO 9 3HD PRO 9 3.232 1.094 -3.477 12 H ALA 10 HN ALA 10 0.330 -2.141 -6.905 13 HA ALA 10 HA ALA 10 1.337 -4.625 -6.045 14 1HB ALA 10 1HB ALA 10 -0.970 -5.738 -5.902 15 2HB ALA 10 2HB ALA 10 -0.477 -4.751 -4.505 16 3HB ALA 10 3HB ALA 10 -1.632 -4.099 -5.692 17 H VAL 11 HN VAL 11 2.278 -4.518 -8.134 18 HA VAL 11 HA VAL 11 0.693 -4.035 -10.432 19 HB VAL 11 HB VAL 11 3.407 -5.345 -10.174 20 1HG1 VAL 11 1HG1 VAL 11 3.757 -4.503 -12.470 21 2HG1 VAL 11 2HG1 VAL 11 2.403 -5.655 -12.379 22 3HG1 VAL 11 3HG1 VAL 11 2.080 -3.908 -12.499 23 1HG2 VAL 11 1HG2 VAL 11 4.307 -3.057 -10.580 24 2HG2 VAL 11 2HG2 VAL 11 2.658 -2.411 -10.400 25 3HG2 VAL 11 3HG2 VAL 11 3.454 -3.214 -9.025 26 H ASP 12 HN ASP 12 1.564 -6.882 -8.494 27 HA ASP 12 HA ASP 12 1.095 -8.830 -10.355 28 1HB ASP 12 2HB ASP 12 1.601 -8.680 -7.595 29 2HB ASP 12 3HB ASP 12 0.037 -9.468 -7.670 30 H ARG 13 HN ARG 13 -1.103 -6.817 -8.372 31 HA ARG 13 HA ARG 13 -3.379 -8.307 -8.545 32 1HB ARG 13 2HB ARG 13 -4.499 -6.365 -7.803 33 2HB ARG 13 3HB ARG 13 -2.850 -6.037 -7.309 34 1HG ARG 13 2HG ARG 13 -2.588 -4.875 -9.641 35 2HG ARG 13 3HG ARG 13 -4.338 -4.922 -9.715 36 1HD ARG 13 2HD ARG 13 -4.595 -3.322 -8.062 37 2HD ARG 13 3HD ARG 13 -3.213 -3.888 -7.145 38 HE ARG 13 HE ARG 13 -2.009 -2.839 -9.377 39 1HH1 ARG 13 2HH2 ARG 13 -4.440 -1.559 -7.177 40 2HH1 ARG 13 1HH2 ARG 13 -3.960 0.090 -7.403 41 1HH2 ARG 13 2HH1 ARG 13 -1.376 -0.663 -9.675 42 2HH2 ARG 13 1HH1 ARG 13 -2.206 0.603 -8.833 43 H SER 14 HN SER 14 -1.829 -6.113 -10.915 44 HA SER 14 HA SER 14 -3.989 -5.833 -12.616 45 1HB SER 14 2HB SER 14 -1.221 -5.114 -12.559 46 2HB SER 14 3HB SER 14 -1.494 -5.912 -14.096 47 HG SER 14 HG SER 14 -3.483 -4.418 -14.204 48 H LEU 15 HN LEU 15 -1.600 -8.435 -12.148 49 HA LEU 15 HA LEU 15 -2.118 -9.754 -14.597 50 1HB LEU 15 2HB LEU 15 -0.796 -10.518 -12.007 51 2HB LEU 15 3HB LEU 15 -1.048 -11.695 -13.281 52 HG LEU 15 HG LEU 15 0.142 -9.443 -14.519 53 1HD1 LEU 15 1HD1 LEU 15 1.545 -10.191 -11.939 54 2HD1 LEU 15 2HD1 LEU 15 2.244 -9.211 -13.250 55 3HD1 LEU 15 3HD1 LEU 15 0.830 -8.613 -12.349 56 1HD2 LEU 15 1HD2 LEU 15 1.485 -11.011 -15.417 57 2HD2 LEU 15 2HD2 LEU 15 1.876 -11.739 -13.840 58 3HD2 LEU 15 3HD2 LEU 15 0.344 -12.142 -14.650 59 H ARG 16 HN ARG 16 -3.918 -9.334 -11.680 60 HA ARG 16 HA ARG 16 -5.332 -11.810 -12.069 61 1HB ARG 16 2HB ARG 16 -5.923 -9.615 -10.028 62 2HB ARG 16 3HB ARG 16 -6.450 -11.285 -9.959 63 1HG ARG 16 2HG ARG 16 -3.738 -11.657 -10.138 64 2HG ARG 16 3HG ARG 16 -3.774 -10.109 -9.318 65 1HD ARG 16 2HD ARG 16 -5.414 -12.507 -8.377 66 2HD ARG 16 3HD ARG 16 -3.790 -12.187 -7.799 67 HE ARG 16 HE ARG 16 -6.208 -10.753 -7.045 68 1HH1 ARG 16 2HH2 ARG 16 -2.726 -10.418 -7.430 69 2HH1 ARG 16 1HH2 ARG 16 -2.597 -9.117 -6.293 70 1HH2 ARG 16 2HH1 ARG 16 -6.039 -9.037 -5.546 71 2HH2 ARG 16 1HH1 ARG 16 -4.494 -8.326 -5.215 72 H SER 17 HN SER 17 -6.175 -8.283 -11.659 73 HA SER 17 HA SER 17 -8.726 -8.265 -12.272 74 1HB SER 17 2HB SER 17 -6.729 -6.345 -13.548 75 2HB SER 17 3HB SER 17 -8.421 -6.016 -13.233 76 HG SER 17 HG SER 17 -7.936 -5.491 -11.218 77 H VAL 18 HN VAL 18 -9.944 -9.240 -13.845 78 HA VAL 18 HA VAL 18 -8.699 -9.528 -16.491 79 HB VAL 18 HB VAL 18 -10.673 -11.321 -16.556 80 1HG1 VAL 18 1HG1 VAL 18 -8.215 -11.662 -16.932 81 2HG1 VAL 18 2HG1 VAL 18 -8.032 -11.900 -15.178 82 3HG1 VAL 18 3HG1 VAL 18 -9.030 -13.025 -16.129 83 1HG2 VAL 18 1HG2 VAL 18 -9.874 -11.258 -13.626 84 2HG2 VAL 18 2HG2 VAL 18 -11.466 -10.802 -14.279 85 3HG2 VAL 18 3HG2 VAL 18 -10.896 -12.483 -14.415 86 H PHE 19 HN PHE 19 -9.598 -8.411 -18.151 87 HA PHE 19 HA PHE 19 -11.908 -6.809 -17.577 88 1HB PHE 19 2HB PHE 19 -9.823 -6.119 -18.901 89 2HB PHE 19 3HB PHE 19 -10.250 -7.299 -20.124 90 HD1 PHE 19 HD1 PHE 19 -12.145 -4.647 -18.286 91 HD2 PHE 19 HD2 PHE 19 -11.042 -6.303 -22.034 92 HE1 PHE 19 HE1 PHE 19 -13.546 -2.926 -19.459 93 HE2 PHE 19 HE2 PHE 19 -12.443 -4.582 -23.207 94 HZ PHE 19 HZ PHE 19 -13.678 -2.914 -21.905 95 H VAL 20 HN VAL 20 -14.002 -7.194 -18.178 96 HA VAL 20 HA VAL 20 -14.422 -9.472 -19.988 97 HB VAL 20 HB VAL 20 -16.246 -8.520 -17.777 98 1HG1 VAL 20 1HG1 VAL 20 -17.462 -10.546 -18.128 99 2HG1 VAL 20 2HG1 VAL 20 -17.228 -9.798 -19.726 100 3HG1 VAL 20 3HG1 VAL 20 -16.219 -11.179 -19.234 101 1HG2 VAL 20 1HG2 VAL 20 -14.684 -9.369 -16.387 102 2HG2 VAL 20 2HG2 VAL 20 -15.315 -10.943 -16.927 103 3HG2 VAL 20 3HG2 VAL 20 -13.859 -10.260 -17.689 104 H GLY 21 HN GLY 21 -15.667 -9.129 -21.793 105 1HA GLY 21 1HA GLY 21 -17.115 -6.560 -21.951 106 2HA GLY 21 2HA GLY 21 -16.010 -7.057 -23.216 107 H ASN 22 HN ASN 22 -18.286 -6.716 -24.351 108 HA ASN 22 HA ASN 22 -19.870 -7.624 -25.519 109 1HB ASN 22 2HB ASN 22 -18.023 -9.552 -25.646 110 2HB ASN 22 3HB ASN 22 -19.145 -10.439 -24.633 111 1HD2 ASN 22 1HD2 ASN 22 -21.454 -10.430 -25.374 112 2HD2 ASN 22 2HD2 ASN 22 -21.766 -10.643 -27.064 113 H ILE 23 HN ILE 23 -20.014 -7.181 -22.467 114 HA ILE 23 HA ILE 23 -22.068 -9.117 -21.737 115 HB ILE 23 HB ILE 23 -20.983 -6.959 -19.959 116 1HG1 ILE 23 2HG1 ILE 23 -19.646 -9.637 -20.448 117 2HG1 ILE 23 3HG1 ILE 23 -19.052 -8.101 -21.049 118 1HG2 ILE 23 1HG2 ILE 23 -22.573 -9.426 -19.677 119 2HG2 ILE 23 2HG2 ILE 23 -21.290 -9.211 -18.463 120 3HG2 ILE 23 3HG2 ILE 23 -22.533 -7.955 -18.677 121 1HD1 ILE 23 1HD1 ILE 23 -19.442 -7.511 -18.375 122 2HD1 ILE 23 2HD1 ILE 23 -18.951 -9.220 -18.305 123 3HD1 ILE 23 3HD1 ILE 23 -17.891 -8.021 -19.084 124 HA PRO 24 HA PRO 24 -24.962 -6.065 -22.946 125 1HB PRO 24 2HB PRO 24 -27.184 -7.649 -22.797 126 2HB PRO 24 3HB PRO 24 -26.167 -7.556 -24.221 127 1HG PRO 24 2HG PRO 24 -26.347 -9.714 -22.209 128 2HG PRO 24 3HG PRO 24 -25.678 -9.776 -23.828 129 1HD PRO 24 2HD PRO 24 -24.209 -9.636 -21.368 130 2HD PRO 24 3HD PRO 24 -23.546 -9.581 -22.989 131 H TYR 25 HN TYR 25 -27.554 -5.863 -22.011 132 HA TYR 25 HA TYR 25 -26.933 -4.896 -19.352 133 1HB TYR 25 2HB TYR 25 -29.457 -4.890 -21.124 134 2HB TYR 25 3HB TYR 25 -29.261 -3.922 -19.677 135 HD1 TYR 25 HD1 TYR 25 -26.155 -3.469 -20.565 136 HD2 TYR 25 HD2 TYR 25 -29.993 -2.754 -22.316 137 HE1 TYR 25 HE1 TYR 25 -25.175 -1.584 -21.962 138 HE2 TYR 25 HE2 TYR 25 -29.000 -0.871 -23.707 139 HH TYR 25 HH TYR 25 -25.731 0.239 -23.163 140 H GLU 26 HN GLU 26 -28.025 -7.810 -20.729 141 HA GLU 26 HA GLU 26 -29.892 -8.363 -18.617 142 1HB GLU 26 2HB GLU 26 -29.606 -9.238 -21.260 143 2HB GLU 26 3HB GLU 26 -29.092 -10.629 -20.326 144 1HG GLU 26 2HG GLU 26 -31.673 -9.124 -19.715 145 2HG GLU 26 3HG GLU 26 -31.615 -10.457 -20.851 146 H ALA 27 HN ALA 27 -26.515 -8.459 -19.088 147 HA ALA 27 HA ALA 27 -26.255 -10.542 -17.027 148 1HB ALA 27 1HB ALA 27 -25.248 -11.386 -19.010 149 2HB ALA 27 2HB ALA 27 -24.514 -9.812 -19.403 150 3HB ALA 27 3HB ALA 27 -23.898 -10.764 -18.030 151 H THR 28 HN THR 28 -26.310 -9.252 -15.184 152 HA THR 28 HA THR 28 -24.634 -6.867 -15.147 153 HB THR 28 HB THR 28 -25.802 -6.720 -12.815 154 HG1 THR 28 HG1 THR 28 -26.904 -8.596 -12.421 155 1HG2 THR 28 1HG2 THR 28 -27.999 -6.074 -13.780 156 2HG2 THR 28 2HG2 THR 28 -26.683 -5.454 -14.806 157 3HG2 THR 28 3HG2 THR 28 -27.588 -6.906 -15.299 158 H GLU 29 HN GLU 29 -23.476 -6.537 -12.890 159 HA GLU 29 HA GLU 29 -21.369 -8.299 -12.912 160 1HB GLU 29 2HB GLU 29 -22.335 -6.147 -11.041 161 2HB GLU 29 3HB GLU 29 -21.052 -7.201 -10.479 162 1HG GLU 29 2HG GLU 29 -19.711 -6.663 -12.521 163 2HG GLU 29 3HG GLU 29 -20.995 -5.615 -13.091 164 H GLU 30 HN GLU 30 -24.462 -8.376 -11.178 165 HA GLU 30 HA GLU 30 -23.739 -10.110 -9.154 166 1HB GLU 30 2HB GLU 30 -25.897 -8.765 -9.397 167 2HB GLU 30 3HB GLU 30 -26.455 -9.981 -10.529 168 1HG GLU 30 2HG GLU 30 -25.396 -11.152 -8.026 169 2HG GLU 30 3HG GLU 30 -26.749 -10.074 -7.747 170 H GLN 31 HN GLN 31 -24.553 -10.640 -12.584 171 HA GLN 31 HA GLN 31 -24.697 -13.478 -12.180 172 1HB GLN 31 2HB GLN 31 -24.957 -11.686 -14.625 173 2HB GLN 31 3HB GLN 31 -24.955 -13.434 -14.752 174 1HG GLN 31 2HG GLN 31 -26.789 -12.983 -12.692 175 2HG GLN 31 3HG GLN 31 -27.077 -11.622 -13.758 176 1HE2 GLN 31 1HE2 GLN 31 -27.862 -11.921 -15.807 177 2HE2 GLN 31 2HE2 GLN 31 -28.518 -13.417 -16.383 178 H LEU 32 HN LEU 32 -22.535 -11.034 -13.732 179 HA LEU 32 HA LEU 32 -20.726 -12.812 -14.845 180 1HB LEU 32 2HB LEU 32 -20.458 -9.987 -13.830 181 2HB LEU 32 3HB LEU 32 -19.136 -10.839 -14.604 182 HG LEU 32 HG LEU 32 -19.884 -10.153 -16.574 183 1HD1 LEU 32 1HD1 LEU 32 -20.953 -12.303 -16.759 184 2HD1 LEU 32 2HD1 LEU 32 -22.395 -11.709 -15.903 185 3HD1 LEU 32 3HD1 LEU 32 -21.991 -11.070 -17.514 186 1HD2 LEU 32 1HD2 LEU 32 -22.580 -9.208 -15.862 187 2HD2 LEU 32 2HD2 LEU 32 -21.265 -8.519 -14.880 188 3HD2 LEU 32 3HD2 LEU 32 -21.229 -8.361 -16.652 189 H LYS 33 HN LYS 33 -20.800 -11.282 -11.564 190 HA LYS 33 HA LYS 33 -18.418 -12.445 -10.687 191 1HB LYS 33 2HB LYS 33 -20.011 -10.533 -9.728 192 2HB LYS 33 3HB LYS 33 -20.635 -11.859 -8.767 193 1HG LYS 33 2HG LYS 33 -18.525 -12.277 -7.738 194 2HG LYS 33 3HG LYS 33 -17.639 -11.427 -8.987 195 1HD LYS 33 2HD LYS 33 -17.627 -9.905 -7.168 196 2HD LYS 33 3HD LYS 33 -18.898 -9.291 -8.206 197 1HE LYS 33 2HE LYS 33 -20.301 -11.089 -6.623 198 2HE LYS 33 3HE LYS 33 -19.092 -10.505 -5.497 199 1HZ LYS 33 1HZ LYS 33 -21.353 -9.183 -6.428 200 2HZ LYS 33 2HZ LYS 33 -20.271 -8.674 -5.315 201 3HZ LYS 33 3HZ LYS 33 -20.045 -8.322 -6.894 202 H ASP 34 HN ASP 34 -21.807 -13.602 -10.779 203 HA ASP 34 HA ASP 34 -21.422 -15.784 -9.122 204 1HB ASP 34 2HB ASP 34 -23.538 -14.662 -10.506 205 2HB ASP 34 3HB ASP 34 -23.286 -16.132 -11.426 206 H ILE 35 HN ILE 35 -21.000 -15.222 -12.660 207 HA ILE 35 HA ILE 35 -20.546 -17.931 -13.322 208 HB ILE 35 HB ILE 35 -19.766 -15.395 -14.765 209 1HG1 ILE 35 2HG1 ILE 35 -22.137 -16.997 -15.578 210 2HG1 ILE 35 3HG1 ILE 35 -22.294 -16.073 -14.097 211 1HG2 ILE 35 1HG2 ILE 35 -20.280 -18.017 -16.119 212 2HG2 ILE 35 2HG2 ILE 35 -19.296 -16.630 -16.644 213 3HG2 ILE 35 3HG2 ILE 35 -18.696 -17.714 -15.367 214 1HD1 ILE 35 1HD1 ILE 35 -22.539 -14.158 -15.275 215 2HD1 ILE 35 2HD1 ILE 35 -20.974 -14.422 -16.081 216 3HD1 ILE 35 3HD1 ILE 35 -22.461 -15.109 -16.778 217 H PHE 36 HN PHE 36 -18.399 -15.129 -12.545 218 HA PHE 36 HA PHE 36 -16.018 -16.564 -12.965 219 1HB PHE 36 2HB PHE 36 -17.021 -13.990 -11.807 220 2HB PHE 36 3HB PHE 36 -15.528 -14.538 -11.071 221 HD1 PHE 36 HD1 PHE 36 -14.241 -15.812 -13.464 222 HD2 PHE 36 HD2 PHE 36 -16.307 -12.131 -13.037 223 HE1 PHE 36 HE1 PHE 36 -12.942 -14.860 -15.389 224 HE2 PHE 36 HE2 PHE 36 -15.008 -11.178 -14.962 225 HZ PHE 36 HZ PHE 36 -13.341 -12.554 -16.115 226 H SER 37 HN SER 37 -18.282 -16.293 -10.243 227 HA SER 37 HA SER 37 -16.528 -17.053 -8.239 228 1HB SER 37 2HB SER 37 -18.488 -17.414 -6.899 229 2HB SER 37 3HB SER 37 -18.860 -16.080 -7.973 230 HG SER 37 HG SER 37 -20.394 -18.110 -7.672 231 H GLU 38 HN GLU 38 -18.368 -18.880 -10.692 232 HA GLU 38 HA GLU 38 -18.041 -21.375 -9.441 233 1HB GLU 38 2HB GLU 38 -19.815 -21.310 -10.974 234 2HB GLU 38 3HB GLU 38 -18.899 -20.413 -12.168 235 1HG GLU 38 2HG GLU 38 -19.168 -22.718 -12.946 236 2HG GLU 38 3HG GLU 38 -17.476 -22.437 -12.585 237 H VAL 39 HN VAL 39 -15.856 -19.261 -11.008 238 HA VAL 39 HA VAL 39 -14.126 -21.485 -11.814 239 HB VAL 39 HB VAL 39 -13.877 -18.541 -12.448 240 1HG1 VAL 39 1HG1 VAL 39 -11.871 -19.127 -13.230 241 2HG1 VAL 39 2HG1 VAL 39 -12.183 -20.846 -12.891 242 3HG1 VAL 39 3HG1 VAL 39 -12.693 -20.138 -14.442 243 1HG2 VAL 39 1HG2 VAL 39 -14.674 -20.245 -14.672 244 2HG2 VAL 39 2HG2 VAL 39 -15.880 -20.261 -13.363 245 3HG2 VAL 39 3HG2 VAL 39 -15.381 -18.717 -14.095 246 H GLY 40 HN GLY 40 -14.838 -19.938 -9.063 247 1HA GLY 40 1HA GLY 40 -13.033 -20.535 -7.375 248 2HA GLY 40 2HA GLY 40 -12.035 -19.426 -8.294 249 HA PRO 41 HA PRO 41 -14.339 -17.021 -5.161 250 1HB PRO 41 2HB PRO 41 -12.222 -16.122 -3.686 251 2HB PRO 41 3HB PRO 41 -13.163 -17.534 -3.250 252 1HG PRO 41 2HG PRO 41 -10.455 -17.403 -4.427 253 2HG PRO 41 3HG PRO 41 -11.230 -18.742 -3.603 254 1HD PRO 41 2HD PRO 41 -10.854 -18.454 -6.432 255 2HD PRO 41 3HD PRO 41 -11.731 -19.733 -5.616 256 H VAL 42 HN VAL 42 -15.036 -15.003 -5.562 257 HA VAL 42 HA VAL 42 -13.210 -13.476 -7.272 258 HB VAL 42 HB VAL 42 -16.209 -13.460 -6.920 259 1HG1 VAL 42 1HG1 VAL 42 -15.649 -11.803 -9.068 260 2HG1 VAL 42 2HG1 VAL 42 -16.152 -11.280 -7.443 261 3HG1 VAL 42 3HG1 VAL 42 -14.424 -11.337 -7.864 262 1HG2 VAL 42 1HG2 VAL 42 -16.276 -14.163 -9.231 263 2HG2 VAL 42 2HG2 VAL 42 -14.510 -14.000 -9.377 264 3HG2 VAL 42 3HG2 VAL 42 -15.204 -15.260 -8.329 265 H VAL 43 HN VAL 43 -12.184 -11.749 -6.409 266 HA VAL 43 HA VAL 43 -12.734 -10.998 -3.724 267 HB VAL 43 HB VAL 43 -10.823 -10.242 -5.883 268 1HG1 VAL 43 1HG1 VAL 43 -9.914 -8.519 -4.120 269 2HG1 VAL 43 2HG1 VAL 43 -11.195 -8.044 -5.261 270 3HG1 VAL 43 3HG1 VAL 43 -11.612 -8.473 -3.585 271 1HG2 VAL 43 1HG2 VAL 43 -10.716 -12.016 -3.829 272 2HG2 VAL 43 2HG2 VAL 43 -9.285 -11.254 -4.565 273 3HG2 VAL 43 3HG2 VAL 43 -9.975 -10.590 -3.064 274 H SER 44 HN SER 44 -12.918 -9.198 -6.883 275 HA SER 44 HA SER 44 -15.374 -8.043 -6.053 276 1HB SER 44 2HB SER 44 -13.037 -6.671 -5.288 277 2HB SER 44 3HB SER 44 -13.562 -5.832 -6.734 278 HG SER 44 HG SER 44 -14.481 -5.115 -4.577 279 H PHE 45 HN PHE 45 -16.208 -6.499 -7.847 280 HA PHE 45 HA PHE 45 -14.834 -6.775 -10.369 281 1HB PHE 45 2HB PHE 45 -16.439 -8.825 -9.774 282 2HB PHE 45 3HB PHE 45 -17.741 -7.686 -10.052 283 HD1 PHE 45 HD1 PHE 45 -15.945 -6.267 -12.308 284 HD2 PHE 45 HD2 PHE 45 -17.337 -10.213 -11.601 285 HE1 PHE 45 HE1 PHE 45 -15.840 -6.746 -14.770 286 HE2 PHE 45 HE2 PHE 45 -17.231 -10.692 -14.062 287 HZ PHE 45 HZ PHE 45 -16.484 -8.953 -15.618 288 H ARG 46 HN ARG 46 -14.881 -4.732 -11.168 289 HA ARG 46 HA ARG 46 -17.388 -3.296 -10.812 290 1HB ARG 46 2HB ARG 46 -14.545 -2.430 -10.326 291 2HB ARG 46 3HB ARG 46 -15.615 -1.237 -11.036 292 1HG ARG 46 2HG ARG 46 -16.620 -0.866 -9.037 293 2HG ARG 46 3HG ARG 46 -17.018 -2.565 -8.873 294 1HD ARG 46 2HD ARG 46 -15.072 -3.053 -7.644 295 2HD ARG 46 3HD ARG 46 -14.166 -1.725 -8.341 296 HE ARG 46 HE ARG 46 -14.979 -0.321 -6.657 297 1HH1 ARG 46 2HH2 ARG 46 -17.029 -3.174 -6.855 298 2HH1 ARG 46 1HH2 ARG 46 -17.954 -2.765 -5.449 299 1HH2 ARG 46 2HH1 ARG 46 -16.199 0.220 -4.802 300 2HH2 ARG 46 1HH1 ARG 46 -17.479 -0.821 -4.274 301 H LEU 47 HN LEU 47 -18.273 -2.477 -12.714 302 HA LEU 47 HA LEU 47 -16.528 -2.566 -15.077 303 1HB LEU 47 2HB LEU 47 -18.508 -3.100 -16.384 304 2HB LEU 47 3HB LEU 47 -18.163 -4.319 -15.173 305 HG LEU 47 HG LEU 47 -19.930 -3.150 -13.718 306 1HD1 LEU 47 1HD1 LEU 47 -20.337 -1.088 -14.676 307 2HD1 LEU 47 2HD1 LEU 47 -20.319 -1.731 -16.336 308 3HD1 LEU 47 3HD1 LEU 47 -21.711 -2.049 -15.272 309 1HD2 LEU 47 1HD2 LEU 47 -20.955 -4.448 -16.252 310 2HD2 LEU 47 2HD2 LEU 47 -20.162 -5.344 -14.934 311 3HD2 LEU 47 3HD2 LEU 47 -21.683 -4.473 -14.628 312 H VAL 48 HN VAL 48 -17.733 -1.108 -16.909 313 HA VAL 48 HA VAL 48 -17.756 1.523 -15.705 314 HB VAL 48 HB VAL 48 -17.916 2.155 -18.191 315 1HG1 VAL 48 1HG1 VAL 48 -15.862 2.512 -17.101 316 2HG1 VAL 48 2HG1 VAL 48 -15.557 0.769 -16.908 317 3HG1 VAL 48 3HG1 VAL 48 -15.445 1.518 -18.518 318 1HG2 VAL 48 1HG2 VAL 48 -16.750 -0.480 -18.880 319 2HG2 VAL 48 2HG2 VAL 48 -18.504 -0.472 -18.575 320 3HG2 VAL 48 3HG2 VAL 48 -17.813 0.592 -19.824 321 H TYR 49 HN TYR 49 -19.586 2.566 -15.123 322 HA TYR 49 HA TYR 49 -22.072 1.709 -16.447 323 1HB TYR 49 2HB TYR 49 -21.142 1.985 -13.618 324 2HB TYR 49 3HB TYR 49 -22.644 2.841 -13.907 325 HD1 TYR 49 HD1 TYR 49 -21.208 -0.282 -13.070 326 HD2 TYR 49 HD2 TYR 49 -24.533 1.453 -15.129 327 HE1 TYR 49 HE1 TYR 49 -22.504 -2.457 -12.827 328 HE2 TYR 49 HE2 TYR 49 -25.816 -0.727 -14.880 329 HH TYR 49 HH TYR 49 -24.273 -3.574 -13.458 330 H ASP 50 HN ASP 50 -22.979 3.305 -17.637 331 HA ASP 50 HA ASP 50 -21.984 5.932 -17.412 332 1HB ASP 50 2HB ASP 50 -24.149 4.553 -19.018 333 2HB ASP 50 3HB ASP 50 -24.091 6.304 -19.009 334 H ARG 51 HN ARG 51 -22.629 7.244 -15.691 335 HA ARG 51 HA ARG 51 -24.997 6.700 -14.288 336 1HB ARG 51 2HB ARG 51 -22.966 8.972 -14.218 337 2HB ARG 51 3HB ARG 51 -24.387 9.003 -13.192 338 1HG ARG 51 2HG ARG 51 -23.738 6.804 -12.207 339 2HG ARG 51 3HG ARG 51 -22.332 6.741 -13.252 340 1HD ARG 51 2HD ARG 51 -21.156 8.284 -11.998 341 2HD ARG 51 3HD ARG 51 -22.577 9.253 -11.660 342 HE ARG 51 HE ARG 51 -21.527 7.086 -10.020 343 1HH1 ARG 51 2HH2 ARG 51 -24.463 8.820 -10.886 344 2HH1 ARG 51 1HH2 ARG 51 -25.279 8.435 -9.408 345 1HH2 ARG 51 2HH1 ARG 51 -22.603 6.577 -8.070 346 2HH2 ARG 51 1HH1 ARG 51 -24.214 7.150 -7.795 347 H GLU 52 HN GLU 52 -24.084 8.783 -16.999 348 HA GLU 52 HA GLU 52 -26.196 10.605 -16.731 349 1HB GLU 52 2HB GLU 52 -23.935 10.586 -18.193 350 2HB GLU 52 3HB GLU 52 -25.021 9.985 -19.430 351 1HG GLU 52 2HG GLU 52 -25.002 12.390 -19.639 352 2HG GLU 52 3HG GLU 52 -26.555 11.960 -18.951 353 H THR 53 HN THR 53 -25.850 7.373 -18.160 354 HA THR 53 HA THR 53 -28.612 7.583 -19.167 355 HB THR 53 HB THR 53 -27.963 6.137 -20.927 356 HG1 THR 53 HG1 THR 53 -25.894 5.489 -18.964 357 1HG2 THR 53 1HG2 THR 53 -26.588 8.257 -21.111 358 2HG2 THR 53 2HG2 THR 53 -25.301 7.457 -20.177 359 3HG2 THR 53 3HG2 THR 53 -25.753 6.836 -21.783 360 H GLY 54 HN GLY 54 -26.832 6.555 -16.541 361 1HA GLY 54 1HA GLY 54 -27.198 5.066 -14.898 362 2HA GLY 54 2HA GLY 54 -28.890 5.172 -15.339 363 H LYS 55 HN LYS 55 -26.732 4.119 -17.887 364 HA LYS 55 HA LYS 55 -27.571 1.348 -17.382 365 1HB LYS 55 2HB LYS 55 -27.536 2.978 -19.910 366 2HB LYS 55 3HB LYS 55 -27.342 1.239 -19.988 367 1HG LYS 55 2HG LYS 55 -29.497 0.811 -19.156 368 2HG LYS 55 3HG LYS 55 -29.585 2.333 -18.292 369 1HD LYS 55 2HD LYS 55 -30.572 3.364 -20.058 370 2HD LYS 55 3HD LYS 55 -29.292 2.856 -21.142 371 1HE LYS 55 2HE LYS 55 -30.476 0.507 -21.092 372 2HE LYS 55 3HE LYS 55 -31.849 1.373 -20.433 373 1HZ LYS 55 1HZ LYS 55 -31.095 1.209 -23.067 374 2HZ LYS 55 2HZ LYS 55 -32.317 2.094 -22.443 375 3HZ LYS 55 3HZ LYS 55 -30.840 2.764 -22.636 376 HA PRO 56 HA PRO 56 -23.351 0.432 -17.452 377 1HB PRO 56 2HB PRO 56 -23.426 -2.263 -17.900 378 2HB PRO 56 3HB PRO 56 -23.694 -1.546 -16.324 379 1HG PRO 56 2HG PRO 56 -25.670 -2.707 -18.191 380 2HG PRO 56 3HG PRO 56 -25.838 -2.383 -16.477 381 1HD PRO 56 2HD PRO 56 -26.930 -0.836 -18.631 382 2HD PRO 56 3HD PRO 56 -26.999 -0.450 -16.923 383 H LYS 57 HN LYS 57 -21.599 0.542 -18.764 384 HA LYS 57 HA LYS 57 -22.058 1.003 -21.438 385 1HB LYS 57 2HB LYS 57 -19.787 0.777 -19.646 386 2HB LYS 57 3HB LYS 57 -19.406 0.093 -21.213 387 1HG LYS 57 2HG LYS 57 -20.630 2.859 -20.780 388 2HG LYS 57 3HG LYS 57 -18.928 2.560 -21.073 389 1HD LYS 57 2HD LYS 57 -20.063 1.180 -23.179 390 2HD LYS 57 3HD LYS 57 -21.223 2.478 -22.977 391 1HE LYS 57 2HE LYS 57 -18.211 2.934 -23.211 392 2HE LYS 57 3HE LYS 57 -19.307 2.999 -24.577 393 1HZ LYS 57 1HZ LYS 57 -20.474 4.777 -23.536 394 2HZ LYS 57 2HZ LYS 57 -19.582 4.664 -22.172 395 3HZ LYS 57 3HZ LYS 57 -18.886 5.160 -23.564 396 H GLY 58 HN GLY 58 -20.669 -1.994 -19.914 397 1HA GLY 58 1HA GLY 58 -22.006 -3.986 -20.891 398 2HA GLY 58 2HA GLY 58 -21.293 -3.441 -22.396 399 H TYR 59 HN TYR 59 -18.885 -2.441 -20.578 400 HA TYR 59 HA TYR 59 -17.666 -5.099 -20.256 401 1HB TYR 59 2HB TYR 59 -15.564 -3.837 -21.059 402 2HB TYR 59 3HB TYR 59 -16.805 -3.983 -22.287 403 HD1 TYR 59 HD1 TYR 59 -14.949 -1.686 -20.142 404 HD2 TYR 59 HD2 TYR 59 -18.186 -2.016 -22.919 405 HE1 TYR 59 HE1 TYR 59 -14.954 0.838 -20.447 406 HE2 TYR 59 HE2 TYR 59 -18.180 0.509 -23.215 407 HH TYR 59 HH TYR 59 -16.291 2.348 -22.935 408 H GLY 60 HN GLY 60 -15.885 -5.185 -18.677 409 1HA GLY 60 1HA GLY 60 -15.427 -2.946 -16.943 410 2HA GLY 60 2HA GLY 60 -16.482 -4.146 -16.222 411 H PHE 61 HN PHE 61 -14.500 -4.193 -14.688 412 HA PHE 61 HA PHE 61 -12.705 -6.284 -15.679 413 1HB PHE 61 2HB PHE 61 -12.077 -3.843 -13.910 414 2HB PHE 61 3HB PHE 61 -10.914 -5.087 -14.324 415 HD1 PHE 61 HD1 PHE 61 -9.910 -5.169 -16.526 416 HD2 PHE 61 HD2 PHE 61 -12.802 -2.211 -15.581 417 HE1 PHE 61 HE1 PHE 61 -9.262 -3.879 -18.580 418 HE2 PHE 61 HE2 PHE 61 -12.154 -0.921 -17.634 419 HZ PHE 61 HZ PHE 61 -10.392 -1.771 -19.109 420 H CYS 62 HN CYS 62 -12.296 -7.959 -14.236 421 HA CYS 62 HA CYS 62 -13.621 -7.671 -11.637 422 1HB CYS 62 2HB CYS 62 -14.658 -9.312 -13.276 423 2HB CYS 62 3HB CYS 62 -13.200 -10.274 -13.132 424 HG CYS 62 HG CYS 62 -14.588 -11.514 -11.521 425 H GLU 63 HN GLU 63 -12.204 -7.693 -9.923 426 HA GLU 63 HA GLU 63 -9.523 -8.648 -10.490 427 1HB GLU 63 2HB GLU 63 -9.390 -6.453 -9.644 428 2HB GLU 63 3HB GLU 63 -10.697 -6.698 -8.504 429 1HG GLU 63 2HG GLU 63 -9.326 -7.967 -7.011 430 2HG GLU 63 3HG GLU 63 -8.117 -8.280 -8.241 431 H TYR 64 HN TYR 64 -8.825 -10.579 -9.672 432 HA TYR 64 HA TYR 64 -10.587 -11.942 -7.801 433 1HB TYR 64 2HB TYR 64 -8.430 -12.504 -9.832 434 2HB TYR 64 3HB TYR 64 -8.414 -13.583 -8.452 435 HD1 TYR 64 HD1 TYR 64 -10.353 -15.071 -7.996 436 HD2 TYR 64 HD2 TYR 64 -10.178 -12.619 -11.498 437 HE1 TYR 64 HE1 TYR 64 -12.195 -16.458 -9.069 438 HE2 TYR 64 HE2 TYR 64 -12.020 -14.014 -12.558 439 HH TYR 64 HH TYR 64 -14.005 -15.939 -10.897 440 H GLN 65 HN GLN 65 -8.782 -13.667 -6.539 441 HA GLN 65 HA GLN 65 -7.349 -11.745 -4.882 442 1HB GLN 65 2HB GLN 65 -9.308 -13.413 -4.063 443 2HB GLN 65 3HB GLN 65 -7.958 -14.517 -3.895 444 1HG GLN 65 2HG GLN 65 -6.751 -12.728 -2.540 445 2HG GLN 65 3HG GLN 65 -8.211 -11.761 -2.605 446 1HE2 GLN 65 1HE2 GLN 65 -6.594 -14.448 -1.206 447 2HE2 GLN 65 2HE2 GLN 65 -7.796 -14.921 -0.052 448 H ASP 66 HN ASP 66 -7.039 -14.378 -7.109 449 HA ASP 66 HA ASP 66 -4.221 -14.517 -6.421 450 1HB ASP 66 2HB ASP 66 -5.286 -17.024 -7.547 451 2HB ASP 66 3HB ASP 66 -4.217 -16.791 -6.178 452 H GLN 67 HN GLN 67 -2.908 -14.369 -8.289 453 HA GLN 67 HA GLN 67 -4.044 -13.555 -10.650 454 1HB GLN 67 2HB GLN 67 -1.748 -12.999 -10.086 455 2HB GLN 67 3HB GLN 67 -1.285 -14.688 -10.037 456 1HG GLN 67 2HG GLN 67 -1.876 -14.872 -12.496 457 2HG GLN 67 3HG GLN 67 -2.200 -13.150 -12.513 458 1HE2 GLN 67 1HE2 GLN 67 -0.268 -12.085 -10.970 459 2HE2 GLN 67 2HE2 GLN 67 1.307 -12.343 -11.642 460 H GLU 68 HN GLU 68 -3.072 -16.806 -9.503 461 HA GLU 68 HA GLU 68 -3.214 -18.068 -11.968 462 1HB GLU 68 2HB GLU 68 -2.120 -19.126 -10.071 463 2HB GLU 68 3HB GLU 68 -3.597 -19.104 -9.129 464 1HG GLU 68 2HG GLU 68 -4.048 -21.176 -9.934 465 2HG GLU 68 3HG GLU 68 -4.334 -20.441 -11.498 466 H THR 69 HN THR 69 -5.685 -17.271 -9.495 467 HA THR 69 HA THR 69 -7.742 -18.842 -10.660 468 HB THR 69 HB THR 69 -7.835 -16.409 -8.797 469 HG1 THR 69 HG1 THR 69 -7.839 -18.242 -7.231 470 1HG2 THR 69 1HG2 THR 69 -10.034 -17.435 -9.923 471 2HG2 THR 69 2HG2 THR 69 -9.745 -18.762 -8.773 472 3HG2 THR 69 3HG2 THR 69 -10.002 -17.106 -8.174 473 H ALA 70 HN ALA 70 -6.669 -15.434 -11.045 474 HA ALA 70 HA ALA 70 -8.861 -14.712 -12.672 475 1HB ALA 70 1HB ALA 70 -6.632 -13.480 -11.444 476 2HB ALA 70 2HB ALA 70 -6.443 -13.191 -13.191 477 3HB ALA 70 3HB ALA 70 -7.935 -12.687 -12.362 478 H LEU 71 HN LEU 71 -5.587 -16.071 -13.275 479 HA LEU 71 HA LEU 71 -5.757 -15.792 -16.087 480 1HB LEU 71 2HB LEU 71 -3.933 -16.984 -14.103 481 2HB LEU 71 3HB LEU 71 -3.935 -17.772 -15.668 482 HG LEU 71 HG LEU 71 -3.576 -14.785 -15.382 483 1HD1 LEU 71 1HD1 LEU 71 -1.289 -16.740 -15.625 484 2HD1 LEU 71 2HD1 LEU 71 -1.240 -14.999 -15.255 485 3HD1 LEU 71 3HD1 LEU 71 -1.875 -16.147 -14.052 486 1HD2 LEU 71 1HD2 LEU 71 -3.487 -14.777 -17.596 487 2HD2 LEU 71 2HD2 LEU 71 -2.190 -15.996 -17.585 488 3HD2 LEU 71 3HD2 LEU 71 -3.895 -16.509 -17.599 489 H SER 72 HN SER 72 -6.482 -18.432 -13.739 490 HA SER 72 HA SER 72 -7.014 -20.349 -15.664 491 1HB SER 72 2HB SER 72 -8.166 -21.557 -13.837 492 2HB SER 72 3HB SER 72 -6.643 -20.886 -13.289 493 HG SER 72 HG SER 72 -8.752 -20.584 -11.956 494 H ALA 73 HN ALA 73 -9.018 -17.789 -14.141 495 HA ALA 73 HA ALA 73 -11.488 -18.717 -15.135 496 1HB ALA 73 1HB ALA 73 -10.833 -15.825 -14.541 497 2HB ALA 73 2HB ALA 73 -12.343 -16.718 -14.243 498 3HB ALA 73 3HB ALA 73 -10.911 -17.029 -13.232 499 H MET 74 HN MET 74 -8.906 -16.565 -16.397 500 HA MET 74 HA MET 74 -10.374 -15.570 -18.531 501 1HB MET 74 2HB MET 74 -7.705 -15.433 -17.476 502 2HB MET 74 3HB MET 74 -7.529 -15.908 -19.153 503 1HG MET 74 2HG MET 74 -9.449 -13.900 -19.334 504 2HG MET 74 3HG MET 74 -8.454 -13.324 -18.012 505 1HE MET 74 1HE MET 74 -5.015 -12.781 -19.432 506 2HE MET 74 2HE MET 74 -6.083 -12.934 -18.017 507 3HE MET 74 3HE MET 74 -5.415 -14.392 -18.790 508 H ARG 75 HN ARG 75 -8.160 -18.422 -18.246 509 HA ARG 75 HA ARG 75 -8.537 -19.090 -20.967 510 1HB ARG 75 2HB ARG 75 -6.591 -19.682 -19.183 511 2HB ARG 75 3HB ARG 75 -7.568 -21.117 -18.948 512 1HG ARG 75 2HG ARG 75 -7.294 -21.839 -21.193 513 2HG ARG 75 3HG ARG 75 -6.872 -20.236 -21.763 514 1HD ARG 75 2HD ARG 75 -4.701 -20.931 -21.628 515 2HD ARG 75 3HD ARG 75 -4.864 -20.717 -19.897 516 HE ARG 75 HE ARG 75 -5.876 -23.247 -20.254 517 1HH1 ARG 75 2HH2 ARG 75 -2.898 -21.707 -21.320 518 2HH1 ARG 75 1HH2 ARG 75 -1.986 -23.179 -21.320 519 1HH2 ARG 75 2HH1 ARG 75 -4.674 -25.190 -20.253 520 2HH2 ARG 75 1HH1 ARG 75 -3.003 -25.174 -20.709 521 H ASN 76 HN ASN 76 -10.153 -19.744 -17.907 522 HA ASN 76 HA ASN 76 -11.375 -22.146 -18.734 523 1HB ASN 76 2HB ASN 76 -11.700 -20.195 -16.444 524 2HB ASN 76 3HB ASN 76 -13.002 -21.332 -16.732 525 1HD2 ASN 76 1HD2 ASN 76 -10.869 -20.986 -14.617 526 2HD2 ASN 76 2HD2 ASN 76 -10.147 -22.549 -14.427 527 H LEU 77 HN LEU 77 -12.113 -18.636 -18.800 528 HA LEU 77 HA LEU 77 -14.727 -19.222 -19.985 529 1HB LEU 77 2HB LEU 77 -13.586 -16.855 -18.532 530 2HB LEU 77 3HB LEU 77 -14.975 -16.675 -19.584 531 HG LEU 77 HG LEU 77 -16.089 -18.519 -18.204 532 1HD1 LEU 77 1HD1 LEU 77 -14.525 -17.896 -15.827 533 2HD1 LEU 77 2HD1 LEU 77 -15.077 -19.465 -16.463 534 3HD1 LEU 77 3HD1 LEU 77 -13.567 -18.742 -17.067 535 1HD2 LEU 77 1HD2 LEU 77 -15.584 -16.154 -16.451 536 2HD2 LEU 77 2HD2 LEU 77 -16.292 -15.883 -18.061 537 3HD2 LEU 77 3HD2 LEU 77 -17.112 -16.950 -16.897 538 H ASN 78 HN ASN 78 -12.839 -16.231 -20.444 539 HA ASN 78 HA ASN 78 -12.461 -15.163 -22.331 540 1HB ASN 78 2HB ASN 78 -10.297 -16.110 -22.215 541 2HB ASN 78 3HB ASN 78 -10.883 -17.742 -22.465 542 1HD2 ASN 78 1HD2 ASN 78 -11.557 -14.761 -24.270 543 2HD2 ASN 78 2HD2 ASN 78 -10.936 -15.280 -25.802 544 H GLY 79 HN GLY 79 -14.651 -15.156 -23.271 545 1HA GLY 79 1HA GLY 79 -15.881 -15.352 -25.191 546 2HA GLY 79 2HA GLY 79 -14.816 -16.619 -25.768 547 H ARG 80 HN ARG 80 -16.307 -16.607 -22.507 548 HA ARG 80 HA ARG 80 -17.423 -19.157 -23.088 549 1HB ARG 80 2HB ARG 80 -16.425 -18.745 -20.878 550 2HB ARG 80 3HB ARG 80 -17.489 -17.380 -20.600 551 1HG ARG 80 2HG ARG 80 -18.594 -19.071 -19.408 552 2HG ARG 80 3HG ARG 80 -19.435 -19.130 -20.944 553 1HD ARG 80 2HD ARG 80 -17.095 -20.819 -21.146 554 2HD ARG 80 3HD ARG 80 -17.929 -21.226 -19.659 555 HE ARG 80 HE ARG 80 -20.014 -21.122 -21.420 556 1HH1 ARG 80 2HH2 ARG 80 -16.874 -22.696 -21.621 557 2HH1 ARG 80 1HH2 ARG 80 -17.438 -23.976 -22.642 558 1HH2 ARG 80 2HH1 ARG 80 -20.759 -22.811 -22.767 559 2HH2 ARG 80 1HH1 ARG 80 -19.663 -24.042 -23.299 560 H GLU 81 HN GLU 81 -19.479 -19.485 -23.883 561 HA GLU 81 HA GLU 81 -21.154 -17.354 -24.426 562 1HB GLU 81 2HB GLU 81 -21.894 -20.306 -24.213 563 2HB GLU 81 3HB GLU 81 -22.794 -19.081 -25.085 564 1HG GLU 81 2HG GLU 81 -20.787 -18.678 -26.551 565 2HG GLU 81 3HG GLU 81 -19.928 -19.947 -25.700 566 H PHE 82 HN PHE 82 -22.997 -16.501 -23.402 567 HA PHE 82 HA PHE 82 -24.322 -17.722 -21.290 568 1HB PHE 82 2HB PHE 82 -22.151 -17.319 -20.101 569 2HB PHE 82 3HB PHE 82 -22.154 -15.645 -20.618 570 HD1 PHE 82 HD1 PHE 82 -23.760 -14.045 -19.624 571 HD2 PHE 82 HD2 PHE 82 -23.444 -18.035 -18.215 572 HE1 PHE 82 HE1 PHE 82 -24.970 -13.399 -17.523 573 HE2 PHE 82 HE2 PHE 82 -24.654 -17.389 -16.113 574 HZ PHE 82 HZ PHE 82 -25.402 -15.078 -15.792 575 H SER 83 HN SER 83 -23.108 -14.586 -22.618 576 HA SER 83 HA SER 83 -25.609 -13.352 -21.930 577 1HB SER 83 2HB SER 83 -23.014 -12.371 -23.160 578 2HB SER 83 3HB SER 83 -24.444 -11.359 -23.169 579 HG SER 83 HG SER 83 -24.339 -12.185 -20.677 580 H GLY 84 HN GLY 84 -25.264 -15.618 -24.002 581 1HA GLY 84 1HA GLY 84 -26.476 -16.144 -25.851 582 2HA GLY 84 2HA GLY 84 -27.019 -14.483 -25.982 583 H ARG 85 HN ARG 85 -23.637 -14.490 -25.563 584 HA ARG 85 HA ARG 85 -23.174 -14.751 -28.407 585 1HB ARG 85 2HB ARG 85 -23.206 -12.247 -26.932 586 2HB ARG 85 3HB ARG 85 -21.568 -12.553 -27.473 587 1HG ARG 85 2HG ARG 85 -22.098 -12.170 -29.660 588 2HG ARG 85 3HG ARG 85 -23.539 -13.162 -29.575 589 1HD ARG 85 2HD ARG 85 -24.383 -11.029 -28.085 590 2HD ARG 85 3HD ARG 85 -23.235 -10.212 -29.127 591 HE ARG 85 HE ARG 85 -24.656 -11.725 -30.927 592 1HH1 ARG 85 2HH2 ARG 85 -25.651 -9.526 -28.366 593 2HH1 ARG 85 1HH2 ARG 85 -27.115 -9.056 -29.164 594 1HH2 ARG 85 2HH1 ARG 85 -26.588 -11.105 -31.980 595 2HH2 ARG 85 1HH1 ARG 85 -27.651 -9.960 -31.233 596 H ALA 86 HN ALA 86 -21.374 -13.590 -25.454 597 HA ALA 86 HA ALA 86 -19.981 -15.789 -24.804 598 1HB ALA 86 1HB ALA 86 -18.838 -16.315 -26.698 599 2HB ALA 86 2HB ALA 86 -19.048 -14.691 -27.395 600 3HB ALA 86 3HB ALA 86 -17.762 -14.987 -26.201 601 H LEU 87 HN LEU 87 -18.536 -15.315 -23.114 602 HA LEU 87 HA LEU 87 -18.500 -12.500 -22.392 603 1HB LEU 87 2HB LEU 87 -18.279 -15.096 -20.968 604 2HB LEU 87 3HB LEU 87 -17.396 -13.743 -20.289 605 HG LEU 87 HG LEU 87 -19.723 -14.172 -19.376 606 1HD1 LEU 87 1HD1 LEU 87 -19.074 -12.154 -18.624 607 2HD1 LEU 87 2HD1 LEU 87 -18.555 -11.597 -20.233 608 3HD1 LEU 87 3HD1 LEU 87 -20.278 -11.551 -19.789 609 1HD2 LEU 87 1HD2 LEU 87 -21.647 -13.522 -20.591 610 2HD2 LEU 87 2HD2 LEU 87 -20.676 -12.831 -21.912 611 3HD2 LEU 87 3HD2 LEU 87 -20.716 -14.593 -21.666 612 H ARG 88 HN ARG 88 -16.930 -11.520 -23.666 613 HA ARG 88 HA ARG 88 -14.505 -12.758 -24.226 614 1HB ARG 88 2HB ARG 88 -15.794 -10.593 -25.227 615 2HB ARG 88 3HB ARG 88 -14.695 -9.747 -24.156 616 1HG ARG 88 2HG ARG 88 -12.862 -10.221 -25.448 617 2HG ARG 88 3HG ARG 88 -13.366 -11.876 -25.733 618 1HD ARG 88 2HD ARG 88 -13.703 -11.094 -27.878 619 2HD ARG 88 3HD ARG 88 -15.258 -10.620 -27.225 620 HE ARG 88 HE ARG 88 -14.612 -8.374 -27.374 621 1HH1 ARG 88 2HH2 ARG 88 -11.750 -10.412 -27.572 622 2HH1 ARG 88 1HH2 ARG 88 -10.686 -9.100 -27.957 623 1HH2 ARG 88 2HH1 ARG 88 -13.210 -6.643 -27.882 624 2HH2 ARG 88 1HH1 ARG 88 -11.522 -6.942 -28.134 625 H VAL 89 HN VAL 89 -13.230 -13.407 -22.474 626 HA VAL 89 HA VAL 89 -12.728 -11.385 -20.408 627 HB VAL 89 HB VAL 89 -12.289 -14.376 -20.329 628 1HG1 VAL 89 1HG1 VAL 89 -12.504 -12.573 -17.929 629 2HG1 VAL 89 2HG1 VAL 89 -11.716 -14.161 -18.089 630 3HG1 VAL 89 3HG1 VAL 89 -10.961 -12.717 -18.805 631 1HG2 VAL 89 1HG2 VAL 89 -14.346 -13.636 -18.545 632 2HG2 VAL 89 2HG2 VAL 89 -14.725 -12.839 -20.090 633 3HG2 VAL 89 3HG2 VAL 89 -14.489 -14.603 -20.033 634 H ASP 90 HN ASP 90 -10.792 -10.369 -20.425 635 HA ASP 90 HA ASP 90 -8.563 -11.837 -21.557 636 1HB ASP 90 2HB ASP 90 -8.231 -9.061 -22.216 637 2HB ASP 90 3HB ASP 90 -8.348 -10.423 -23.313 638 H ASN 91 HN ASN 91 -6.438 -10.946 -20.758 639 HA ASN 91 HA ASN 91 -6.507 -10.326 -18.095 640 1HB ASN 91 2HB ASN 91 -4.544 -10.921 -20.007 641 2HB ASN 91 3HB ASN 91 -4.122 -9.287 -19.535 642 1HD2 ASN 91 1HD2 ASN 91 -3.236 -8.880 -17.602 643 2HD2 ASN 91 2HD2 ASN 91 -2.867 -10.067 -16.395 644 H ALA 92 HN ALA 92 -6.954 -8.379 -17.045 645 HA ALA 92 HA ALA 92 -7.609 -6.070 -18.475 646 1HB ALA 92 1HB ALA 92 -6.819 -6.259 -15.546 647 2HB ALA 92 2HB ALA 92 -7.927 -5.091 -16.305 648 3HB ALA 92 3HB ALA 92 -8.394 -6.803 -16.170 649 H ALA 93 HN ALA 93 -4.562 -7.463 -17.695 650 HA ALA 93 HA ALA 93 -3.198 -4.899 -17.628 651 1HB ALA 93 1HB ALA 93 -1.695 -7.471 -17.735 652 2HB ALA 93 2HB ALA 93 -1.468 -6.055 -16.680 653 3HB ALA 93 3HB ALA 93 -2.752 -7.236 -16.322 654 H SER 94 HN SER 94 -4.776 -5.942 -20.024 655 HA SER 94 HA SER 94 -2.755 -6.630 -21.901 656 1HB SER 94 2HB SER 94 -5.686 -6.491 -21.811 657 2HB SER 94 3HB SER 94 -5.064 -5.848 -23.318 658 HG SER 94 HG SER 94 -5.490 -8.311 -23.021 659 H GLU 95 HN GLU 95 -2.248 -5.307 -23.855 660 HA GLU 95 HA GLU 95 -1.657 -2.687 -23.136 661 1HB GLU 95 2HB GLU 95 -1.412 -4.377 -25.596 662 2HB GLU 95 3HB GLU 95 -1.339 -2.643 -25.839 663 1HG GLU 95 2HG GLU 95 0.416 -2.575 -23.949 664 2HG GLU 95 3HG GLU 95 0.451 -4.326 -24.030 665 H LYS 96 HN LYS 96 -4.343 -4.184 -24.964 666 HA LYS 96 HA LYS 96 -5.362 -1.629 -25.806 667 1HB LYS 96 2HB LYS 96 -6.517 -4.427 -26.008 668 2HB LYS 96 3HB LYS 96 -7.206 -2.994 -26.744 669 1HG LYS 96 2HG LYS 96 -4.328 -3.315 -27.351 670 2HG LYS 96 3HG LYS 96 -5.289 -4.671 -27.905 671 1HD LYS 96 2HD LYS 96 -6.908 -2.693 -28.778 672 2HD LYS 96 3HD LYS 96 -5.411 -1.781 -28.751 673 1HE LYS 96 2HE LYS 96 -4.693 -4.236 -29.949 674 2HE LYS 96 3HE LYS 96 -6.274 -3.884 -30.618 675 1HZ LYS 96 1HZ LYS 96 -4.000 -2.023 -30.596 676 2HZ LYS 96 2HZ LYS 96 -4.526 -2.865 -31.893 677 3HZ LYS 96 3HZ LYS 96 -5.471 -1.708 -31.232 678 H ASN 97 HN ASN 97 -5.836 -3.985 -23.175 679 HA ASN 97 HA ASN 97 -8.265 -2.883 -22.314 680 1HB ASN 97 2HB ASN 97 -6.157 -4.695 -21.081 681 2HB ASN 97 3HB ASN 97 -7.459 -4.088 -20.077 682 1HD2 ASN 97 1HD2 ASN 97 -7.336 -6.694 -20.301 683 2HD2 ASN 97 2HD2 ASN 97 -8.558 -7.354 -21.336 684 H LYS 98 HN LYS 98 -4.898 -1.972 -22.081 685 HA LYS 98 HA LYS 98 -4.948 -0.641 -19.605 686 1HB LYS 98 2HB LYS 98 -3.021 -1.360 -21.394 687 2HB LYS 98 3HB LYS 98 -3.123 0.360 -21.711 688 1HG LYS 98 2HG LYS 98 -2.934 0.755 -19.193 689 2HG LYS 98 3HG LYS 98 -2.631 -0.961 -19.003 690 1HD LYS 98 2HD LYS 98 -0.435 -0.269 -19.200 691 2HD LYS 98 3HD LYS 98 -0.779 -0.469 -20.907 692 1HE LYS 98 2HE LYS 98 -0.033 1.699 -21.054 693 2HE LYS 98 3HE LYS 98 -1.671 2.094 -20.573 694 1HZ LYS 98 1HZ LYS 98 -0.839 2.977 -18.756 695 2HZ LYS 98 2HZ LYS 98 -0.235 1.537 -18.277 696 3HZ LYS 98 3HZ LYS 98 0.681 2.550 -19.172 697 H GLU 99 HN GLU 99 -5.690 0.350 -22.985 698 HA GLU 99 HA GLU 99 -5.944 3.052 -22.417 699 1HB GLU 99 2HB GLU 99 -5.751 1.972 -24.704 700 2HB GLU 99 3HB GLU 99 -7.423 1.466 -24.561 701 1HG GLU 99 2HG GLU 99 -8.173 3.805 -24.388 702 2HG GLU 99 3HG GLU 99 -6.516 4.374 -24.346 703 H GLU 100 HN GLU 100 -8.177 0.283 -22.090 704 HA GLU 100 HA GLU 100 -10.463 1.882 -21.724 705 1HB GLU 100 2HB GLU 100 -9.815 -1.029 -21.134 706 2HB GLU 100 3HB GLU 100 -11.377 -0.340 -20.739 707 1HG GLU 100 2HG GLU 100 -11.171 0.535 -23.309 708 2HG GLU 100 3HG GLU 100 -10.169 -0.897 -23.431 709 H LEU 101 HN LEU 101 -8.075 0.298 -19.532 710 HA LEU 101 HA LEU 101 -9.425 0.900 -17.152 711 1HB LEU 101 2HB LEU 101 -6.644 0.119 -17.916 712 2HB LEU 101 3HB LEU 101 -6.944 0.695 -16.288 713 HG LEU 101 HG LEU 101 -8.894 -1.322 -17.075 714 1HD1 LEU 101 1HD1 LEU 101 -6.554 -1.841 -18.313 715 2HD1 LEU 101 2HD1 LEU 101 -6.242 -2.597 -16.732 716 3HD1 LEU 101 3HD1 LEU 101 -7.651 -3.100 -17.696 717 1HD2 LEU 101 1HD2 LEU 101 -7.679 -2.374 -14.952 718 2HD2 LEU 101 2HD2 LEU 101 -7.089 -0.703 -14.787 719 3HD2 LEU 101 3HD2 LEU 101 -8.838 -1.030 -14.820 720 H LYS 102 HN LYS 102 -7.280 2.764 -19.295 721 HA LYS 102 HA LYS 102 -6.487 4.754 -17.581 722 1HB LYS 102 2HB LYS 102 -5.898 4.286 -20.057 723 2HB LYS 102 3HB LYS 102 -7.288 5.280 -20.442 724 1HG LYS 102 2HG LYS 102 -5.413 6.412 -18.399 725 2HG LYS 102 3HG LYS 102 -4.773 6.283 -20.026 726 1HD LYS 102 2HD LYS 102 -6.973 7.432 -20.807 727 2HD LYS 102 3HD LYS 102 -7.249 7.806 -19.117 728 1HE LYS 102 2HE LYS 102 -4.518 8.510 -19.733 729 2HE LYS 102 3HE LYS 102 -5.535 9.175 -20.996 730 1HZ LYS 102 1HZ LYS 102 -6.339 9.485 -18.215 731 2HZ LYS 102 2HZ LYS 102 -5.190 10.469 -18.830 732 3HZ LYS 102 3HZ LYS 102 -6.680 10.437 -19.497 733 H SER 103 HN SER 103 -9.680 4.054 -18.930 734 HA SER 103 HA SER 103 -10.655 6.648 -18.213 735 1HB SER 103 2HB SER 103 -11.446 5.238 -20.213 736 2HB SER 103 3HB SER 103 -12.275 4.213 -19.059 737 HG SER 103 HG SER 103 -12.999 6.702 -20.039 738 H LEU 104 HN LEU 104 -10.613 3.298 -16.969 739 HA LEU 104 HA LEU 104 -12.475 3.943 -14.858 740 1HB LEU 104 2HB LEU 104 -11.667 1.623 -16.209 741 2HB LEU 104 3HB LEU 104 -11.068 1.434 -14.573 742 HG LEU 104 HG LEU 104 -13.250 1.592 -13.637 743 1HD1 LEU 104 1HD1 LEU 104 -15.243 1.888 -15.292 744 2HD1 LEU 104 2HD1 LEU 104 -14.366 3.315 -14.692 745 3HD1 LEU 104 3HD1 LEU 104 -14.030 2.684 -16.322 746 1HD2 LEU 104 1HD2 LEU 104 -14.500 -0.205 -14.924 747 2HD2 LEU 104 2HD2 LEU 104 -13.168 -0.149 -16.104 748 3HD2 LEU 104 3HD2 LEU 104 -12.841 -0.598 -14.413 749 H GLY 105 HN GLY 105 -9.480 5.003 -15.411 750 1HA GLY 105 1HA GLY 105 -8.828 5.039 -12.551 751 2HA GLY 105 2HA GLY 105 -7.623 4.434 -13.671 752 H THR 106 HN THR 106 -8.202 7.067 -11.923 753 HA THR 106 HA THR 106 -6.761 8.783 -13.699 754 HB THR 106 HB THR 106 -9.080 9.055 -14.589 755 HG1 THR 106 HG1 THR 106 -7.759 10.951 -14.522 756 1HG2 THR 106 1HG2 THR 106 -9.749 10.189 -11.830 757 2HG2 THR 106 2HG2 THR 106 -10.850 9.984 -13.213 758 3HG2 THR 106 3HG2 THR 106 -10.245 8.557 -12.339 759 H GLY 107 HN GLY 107 -5.211 9.454 -12.359 760 1HA GLY 107 1HA GLY 107 -5.663 9.623 -9.529 761 2HA GLY 107 2HA GLY 107 -4.197 10.011 -10.409 762 H ALA 108 HN ALA 108 -5.076 11.637 -8.282 763 HA ALA 108 HA ALA 108 -5.390 13.765 -7.768 764 1HB ALA 108 1HB ALA 108 -4.398 15.271 -9.155 765 2HB ALA 108 2HB ALA 108 -3.978 13.830 -10.113 766 3HB ALA 108 3HB ALA 108 -5.404 14.803 -10.547 767 HA PRO 109 HA PRO 109 -9.748 13.528 -8.714 768 1HB PRO 109 2HB PRO 109 -10.643 13.836 -6.150 769 2HB PRO 109 3HB PRO 109 -10.333 12.271 -6.875 770 1HG PRO 109 2HG PRO 109 -8.718 13.742 -4.884 771 2HG PRO 109 3HG PRO 109 -8.667 12.040 -5.297 772 1HD PRO 109 2HD PRO 109 -6.796 14.059 -6.104 773 2HD PRO 109 3HD PRO 109 -6.811 12.382 -6.610 774 H VAL 110 HN VAL 110 -11.341 15.072 -9.067 775 HA VAL 110 HA VAL 110 -10.635 17.696 -7.974 776 HB VAL 110 HB VAL 110 -11.212 17.003 -10.858 777 1HG1 VAL 110 1HG1 VAL 110 -10.552 19.778 -10.452 778 2HG1 VAL 110 2HG1 VAL 110 -11.991 19.062 -11.216 779 3HG1 VAL 110 3HG1 VAL 110 -11.966 19.348 -9.460 780 1HG2 VAL 110 1HG2 VAL 110 -8.940 16.683 -10.625 781 2HG2 VAL 110 2HG2 VAL 110 -8.990 18.416 -11.027 782 3HG2 VAL 110 3HG2 VAL 110 -8.787 17.900 -9.336 783 H ILE 111 HN ILE 111 -12.402 18.956 -7.374 784 HA ILE 111 HA ILE 111 -14.887 17.514 -7.211 785 HB ILE 111 HB ILE 111 -13.996 20.207 -6.177 786 1HG1 ILE 111 2HG1 ILE 111 -12.972 18.025 -5.264 787 2HG1 ILE 111 3HG1 ILE 111 -13.605 19.196 -4.124 788 1HG2 ILE 111 1HG2 ILE 111 -16.659 18.919 -6.257 789 2HG2 ILE 111 2HG2 ILE 111 -16.164 19.588 -4.684 790 3HG2 ILE 111 3HG2 ILE 111 -16.207 20.635 -6.123 791 1HD1 ILE 111 1HD1 ILE 111 -14.298 16.505 -4.217 792 2HD1 ILE 111 2HD1 ILE 111 -15.231 17.777 -3.394 793 3HD1 ILE 111 3HD1 ILE 111 -15.663 17.287 -5.050 Start of MODEL 3 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.548 0.700 -1.895 3 1HB ASP 8 2HB ASP 8 3.628 0.760 0.019 4 2HB ASP 8 3HB ASP 8 4.177 -0.407 -1.168 5 HA PRO 9 HA PRO 9 2.981 -3.845 -2.274 6 1HB PRO 9 2HB PRO 9 3.096 -5.420 -0.044 7 2HB PRO 9 3HB PRO 9 4.490 -4.586 -0.700 8 1HG PRO 9 2HG PRO 9 2.891 -3.922 1.696 9 2HG PRO 9 3HG PRO 9 4.500 -3.380 1.266 10 1HD PRO 9 2HD PRO 9 2.069 -1.873 1.056 11 2HD PRO 9 3HD PRO 9 3.660 -1.374 0.519 12 H ALA 10 HN ALA 10 2.001 -6.225 -1.949 13 HA ALA 10 HA ALA 10 -0.767 -5.990 -1.152 14 1HB ALA 10 1HB ALA 10 -1.736 -6.100 -3.218 15 2HB ALA 10 2HB ALA 10 -0.230 -5.298 -3.724 16 3HB ALA 10 3HB ALA 10 -0.405 -7.059 -3.909 17 H VAL 11 HN VAL 11 0.845 -7.409 0.323 18 HA VAL 11 HA VAL 11 1.483 -9.974 -0.694 19 HB VAL 11 HB VAL 11 1.190 -9.017 2.161 20 1HG1 VAL 11 1HG1 VAL 11 2.869 -11.286 1.041 21 2HG1 VAL 11 2HG1 VAL 11 2.668 -10.834 2.751 22 3HG1 VAL 11 3HG1 VAL 11 1.290 -11.493 1.837 23 1HG2 VAL 11 1HG2 VAL 11 3.631 -8.984 0.352 24 2HG2 VAL 11 2HG2 VAL 11 2.705 -7.562 0.890 25 3HG2 VAL 11 3HG2 VAL 11 3.598 -8.543 2.076 26 H ASP 12 HN ASP 12 -1.345 -8.486 0.880 27 HA ASP 12 HA ASP 12 -2.590 -10.772 1.731 28 1HB ASP 12 2HB ASP 12 -3.185 -8.052 1.595 29 2HB ASP 12 3HB ASP 12 -4.381 -8.738 0.515 30 H ARG 13 HN ARG 13 -2.326 -9.214 -1.488 31 HA ARG 13 HA ARG 13 -4.386 -10.565 -2.729 32 1HB ARG 13 2HB ARG 13 -2.347 -8.720 -3.452 33 2HB ARG 13 3HB ARG 13 -2.103 -10.092 -4.515 34 1HG ARG 13 2HG ARG 13 -4.780 -9.921 -4.768 35 2HG ARG 13 3HG ARG 13 -4.487 -8.259 -4.295 36 1HD ARG 13 2HD ARG 13 -2.589 -8.344 -6.152 37 2HD ARG 13 3HD ARG 13 -3.483 -9.727 -6.751 38 HE ARG 13 HE ARG 13 -5.258 -7.491 -6.236 39 1HH1 ARG 13 2HH2 ARG 13 -2.926 -8.740 -8.555 40 2HH1 ARG 13 1HH2 ARG 13 -3.612 -7.888 -9.898 41 1HH2 ARG 13 2HH1 ARG 13 -6.165 -6.366 -8.006 42 2HH2 ARG 13 1HH1 ARG 13 -5.467 -6.528 -9.583 43 H SER 14 HN SER 14 -0.915 -11.376 -2.198 44 HA SER 14 HA SER 14 -0.830 -13.570 -3.875 45 1HB SER 14 2HB SER 14 0.884 -12.267 -1.998 46 2HB SER 14 3HB SER 14 0.854 -13.959 -1.540 47 HG SER 14 HG SER 14 1.267 -14.396 -3.916 48 H LEU 15 HN LEU 15 -1.812 -13.174 -0.435 49 HA LEU 15 HA LEU 15 -2.065 -15.950 0.061 50 1HB LEU 15 2HB LEU 15 -3.120 -13.495 1.461 51 2HB LEU 15 3HB LEU 15 -3.374 -15.125 2.051 52 HG LEU 15 HG LEU 15 -1.305 -13.492 2.760 53 1HD1 LEU 15 1HD1 LEU 15 -2.254 -15.877 3.547 54 2HD1 LEU 15 2HD1 LEU 15 -0.711 -16.401 2.830 55 3HD1 LEU 15 3HD1 LEU 15 -0.720 -15.191 4.136 56 1HD2 LEU 15 1HD2 LEU 15 -0.218 -13.568 0.609 57 2HD2 LEU 15 2HD2 LEU 15 0.756 -14.475 1.791 58 3HD2 LEU 15 3HD2 LEU 15 -0.249 -15.348 0.610 59 H ARG 16 HN ARG 16 -3.857 -13.724 -1.839 60 HA ARG 16 HA ARG 16 -6.227 -15.380 -1.553 61 1HB ARG 16 2HB ARG 16 -5.796 -12.539 -2.570 62 2HB ARG 16 3HB ARG 16 -7.276 -13.407 -2.929 63 1HG ARG 16 2HG ARG 16 -6.815 -13.780 -0.136 64 2HG ARG 16 3HG ARG 16 -6.483 -12.088 -0.452 65 1HD ARG 16 2HD ARG 16 -9.050 -13.602 -1.124 66 2HD ARG 16 3HD ARG 16 -8.863 -12.331 0.068 67 HE ARG 16 HE ARG 16 -9.032 -11.987 -2.854 68 1HH1 ARG 16 2HH2 ARG 16 -8.205 -10.502 0.227 69 2HH1 ARG 16 1HH2 ARG 16 -8.364 -8.883 -0.365 70 1HH2 ARG 16 2HH1 ARG 16 -9.242 -9.850 -3.636 71 2HH2 ARG 16 1HH1 ARG 16 -8.958 -8.509 -2.578 72 H SER 17 HN SER 17 -4.952 -17.033 -2.887 73 HA SER 17 HA SER 17 -5.865 -17.085 -5.455 74 1HB SER 17 2HB SER 17 -3.145 -15.823 -5.173 75 2HB SER 17 3HB SER 17 -3.401 -16.916 -6.519 76 HG SER 17 HG SER 17 -4.349 -14.328 -6.130 77 H VAL 18 HN VAL 18 -5.858 -19.256 -5.969 78 HA VAL 18 HA VAL 18 -3.775 -20.887 -4.687 79 HB VAL 18 HB VAL 18 -5.806 -22.624 -5.074 80 1HG1 VAL 18 1HG1 VAL 18 -5.661 -20.874 -2.606 81 2HG1 VAL 18 2HG1 VAL 18 -6.117 -22.591 -2.718 82 3HG1 VAL 18 3HG1 VAL 18 -4.430 -22.098 -3.000 83 1HG2 VAL 18 1HG2 VAL 18 -7.099 -19.940 -4.493 84 2HG2 VAL 18 2HG2 VAL 18 -7.400 -21.007 -5.886 85 3HG2 VAL 18 3HG2 VAL 18 -7.895 -21.514 -4.253 86 H PHE 19 HN PHE 19 -2.487 -22.011 -6.062 87 HA PHE 19 HA PHE 19 -3.006 -21.783 -8.866 88 1HB PHE 19 2HB PHE 19 -0.708 -21.635 -8.185 89 2HB PHE 19 3HB PHE 19 -0.893 -22.889 -6.975 90 HD1 PHE 19 HD1 PHE 19 -0.046 -22.160 -10.408 91 HD2 PHE 19 HD2 PHE 19 -0.990 -25.281 -7.692 92 HE1 PHE 19 HE1 PHE 19 0.925 -23.840 -12.000 93 HE2 PHE 19 HE2 PHE 19 -0.019 -26.961 -9.284 94 HZ PHE 19 HZ PHE 19 0.927 -26.220 -11.419 95 H VAL 20 HN VAL 20 -3.907 -23.283 -10.219 96 HA VAL 20 HA VAL 20 -4.400 -25.936 -9.050 97 HB VAL 20 HB VAL 20 -6.066 -24.710 -11.224 98 1HG1 VAL 20 1HG1 VAL 20 -6.256 -27.137 -10.618 99 2HG1 VAL 20 2HG1 VAL 20 -6.792 -26.638 -8.996 100 3HG1 VAL 20 3HG1 VAL 20 -7.765 -26.213 -10.424 101 1HG2 VAL 20 1HG2 VAL 20 -6.163 -24.074 -8.277 102 2HG2 VAL 20 2HG2 VAL 20 -6.272 -22.975 -9.674 103 3HG2 VAL 20 3HG2 VAL 20 -7.640 -24.040 -9.271 104 H GLY 21 HN GLY 21 -3.683 -27.709 -10.177 105 1HA GLY 21 1HA GLY 21 -2.700 -27.246 -12.922 106 2HA GLY 21 2HA GLY 21 -1.682 -28.005 -11.715 107 H ASN 22 HN ASN 22 -2.083 -29.528 -13.891 108 HA ASN 22 HA ASN 22 -2.627 -31.567 -14.429 109 1HB ASN 22 2HB ASN 22 -2.844 -31.787 -11.741 110 2HB ASN 22 3HB ASN 22 -4.544 -31.973 -12.123 111 1HD2 ASN 22 1HD2 ASN 22 -5.267 -33.718 -13.321 112 2HD2 ASN 22 2HD2 ASN 22 -4.328 -35.152 -13.570 113 H ILE 23 HN ILE 23 -4.297 -29.027 -14.874 114 HA ILE 23 HA ILE 23 -6.965 -30.161 -15.178 115 HB ILE 23 HB ILE 23 -6.175 -27.335 -15.800 116 1HG1 ILE 23 2HG1 ILE 23 -6.847 -28.380 -13.035 117 2HG1 ILE 23 3HG1 ILE 23 -5.239 -27.932 -13.566 118 1HG2 ILE 23 1HG2 ILE 23 -8.545 -27.004 -14.876 119 2HG2 ILE 23 2HG2 ILE 23 -8.372 -27.773 -16.472 120 3HG2 ILE 23 3HG2 ILE 23 -8.714 -28.769 -15.036 121 1HD1 ILE 23 1HD1 ILE 23 -6.869 -25.735 -14.297 122 2HD1 ILE 23 2HD1 ILE 23 -7.424 -26.216 -12.676 123 3HD1 ILE 23 3HD1 ILE 23 -5.713 -25.806 -12.945 124 HA PRO 24 HA PRO 24 -5.850 -30.937 -19.338 125 1HB PRO 24 2HB PRO 24 -8.036 -32.446 -19.983 126 2HB PRO 24 3HB PRO 24 -6.593 -33.115 -19.247 127 1HG PRO 24 2HG PRO 24 -9.221 -32.565 -18.010 128 2HG PRO 24 3HG PRO 24 -7.931 -33.601 -17.432 129 1HD PRO 24 2HD PRO 24 -8.596 -30.985 -16.462 130 2HD PRO 24 3HD PRO 24 -7.236 -31.972 -15.965 131 H TYR 25 HN TYR 25 -7.146 -30.911 -21.566 132 HA TYR 25 HA TYR 25 -8.052 -28.208 -21.698 133 1HB TYR 25 2HB TYR 25 -8.221 -30.546 -23.697 134 2HB TYR 25 3HB TYR 25 -8.231 -28.845 -24.116 135 HD1 TYR 25 HD1 TYR 25 -6.168 -27.538 -24.140 136 HD2 TYR 25 HD2 TYR 25 -6.136 -31.672 -23.042 137 HE1 TYR 25 HE1 TYR 25 -3.640 -27.594 -24.400 138 HE2 TYR 25 HE2 TYR 25 -3.607 -31.715 -23.305 139 HH TYR 25 HH TYR 25 -1.804 -28.766 -23.867 140 H GLU 26 HN GLU 26 -9.561 -31.044 -20.663 141 HA GLU 26 HA GLU 26 -12.088 -30.397 -21.892 142 1HB GLU 26 2HB GLU 26 -10.855 -32.781 -20.925 143 2HB GLU 26 3HB GLU 26 -12.242 -32.500 -19.891 144 1HG GLU 26 2HG GLU 26 -13.769 -32.793 -21.611 145 2HG GLU 26 3HG GLU 26 -12.711 -32.095 -22.821 146 H ALA 27 HN ALA 27 -10.271 -29.454 -19.183 147 HA ALA 27 HA ALA 27 -12.721 -28.816 -17.686 148 1HB ALA 27 1HB ALA 27 -11.366 -28.875 -15.679 149 2HB ALA 27 2HB ALA 27 -11.089 -30.384 -16.581 150 3HB ALA 27 3HB ALA 27 -9.878 -29.081 -16.633 151 H THR 28 HN THR 28 -13.245 -26.825 -18.600 152 HA THR 28 HA THR 28 -11.114 -24.854 -18.867 153 HB THR 28 HB THR 28 -12.688 -23.711 -20.267 154 HG1 THR 28 HG1 THR 28 -14.638 -25.501 -18.996 155 1HG2 THR 28 1HG2 THR 28 -13.279 -25.300 -21.869 156 2HG2 THR 28 2HG2 THR 28 -12.166 -26.303 -20.908 157 3HG2 THR 28 3HG2 THR 28 -13.923 -26.429 -20.653 158 H GLU 29 HN GLU 29 -11.907 -22.498 -18.238 159 HA GLU 29 HA GLU 29 -11.885 -22.462 -15.493 160 1HB GLU 29 2HB GLU 29 -12.380 -20.434 -17.657 161 2HB GLU 29 3HB GLU 29 -12.782 -19.973 -16.015 162 1HG GLU 29 2HG GLU 29 -10.467 -20.607 -15.280 163 2HG GLU 29 3HG GLU 29 -10.068 -21.039 -16.931 164 H GLU 30 HN GLU 30 -14.568 -22.632 -17.801 165 HA GLU 30 HA GLU 30 -16.574 -21.690 -16.152 166 1HB GLU 30 2HB GLU 30 -16.339 -23.088 -18.700 167 2HB GLU 30 3HB GLU 30 -17.691 -23.728 -17.787 168 1HG GLU 30 2HG GLU 30 -18.140 -21.090 -17.352 169 2HG GLU 30 3HG GLU 30 -17.268 -20.952 -18.866 170 H GLN 31 HN GLN 31 -14.920 -24.840 -16.348 171 HA GLN 31 HA GLN 31 -16.850 -26.010 -14.562 172 1HB GLN 31 2HB GLN 31 -14.392 -27.085 -15.995 173 2HB GLN 31 3HB GLN 31 -15.260 -28.036 -14.807 174 1HG GLN 31 2HG GLN 31 -17.288 -27.015 -16.489 175 2HG GLN 31 3HG GLN 31 -15.986 -27.424 -17.588 176 1HE2 GLN 31 1HE2 GLN 31 -15.192 -29.540 -17.687 177 2HE2 GLN 31 2HE2 GLN 31 -16.113 -30.905 -17.148 178 H LEU 32 HN LEU 32 -13.371 -25.035 -14.639 179 HA LEU 32 HA LEU 32 -12.697 -25.945 -12.108 180 1HB LEU 32 2HB LEU 32 -11.648 -23.668 -13.786 181 2HB LEU 32 3HB LEU 32 -10.918 -24.159 -12.270 182 HG LEU 32 HG LEU 32 -9.657 -25.580 -13.415 183 1HD1 LEU 32 1HD1 LEU 32 -12.260 -26.968 -14.109 184 2HD1 LEU 32 2HD1 LEU 32 -10.634 -27.677 -14.258 185 3HD1 LEU 32 3HD1 LEU 32 -11.267 -27.231 -12.655 186 1HD2 LEU 32 1HD2 LEU 32 -9.413 -25.218 -15.597 187 2HD2 LEU 32 2HD2 LEU 32 -11.031 -25.864 -15.964 188 3HD2 LEU 32 3HD2 LEU 32 -10.840 -24.158 -15.492 189 H LYS 33 HN LYS 33 -14.009 -22.745 -13.187 190 HA LYS 33 HA LYS 33 -14.007 -21.607 -10.633 191 1HB LYS 33 2HB LYS 33 -14.304 -20.594 -13.048 192 2HB LYS 33 3HB LYS 33 -16.010 -20.841 -12.735 193 1HG LYS 33 2HG LYS 33 -16.100 -19.187 -11.140 194 2HG LYS 33 3HG LYS 33 -14.540 -19.610 -10.462 195 1HD LYS 33 2HD LYS 33 -13.924 -17.606 -11.427 196 2HD LYS 33 3HD LYS 33 -13.669 -18.629 -12.827 197 1HE LYS 33 2HE LYS 33 -14.997 -16.879 -13.700 198 2HE LYS 33 3HE LYS 33 -16.175 -18.143 -13.404 199 1HZ LYS 33 1HZ LYS 33 -15.669 -15.744 -11.822 200 2HZ LYS 33 2HZ LYS 33 -17.082 -16.287 -12.432 201 3HZ LYS 33 3HZ LYS 33 -16.409 -17.032 -11.145 202 H ASP 34 HN ASP 34 -16.338 -23.691 -12.382 203 HA ASP 34 HA ASP 34 -18.443 -23.304 -10.621 204 1HB ASP 34 2HB ASP 34 -17.926 -24.800 -12.948 205 2HB ASP 34 3HB ASP 34 -18.251 -26.028 -11.741 206 H ILE 35 HN ILE 35 -15.627 -25.548 -10.724 207 HA ILE 35 HA ILE 35 -16.503 -27.203 -8.609 208 HB ILE 35 HB ILE 35 -13.753 -26.717 -9.761 209 1HG1 ILE 35 2HG1 ILE 35 -15.319 -29.174 -10.362 210 2HG1 ILE 35 3HG1 ILE 35 -15.876 -27.692 -11.114 211 1HG2 ILE 35 1HG2 ILE 35 -14.785 -28.830 -7.859 212 2HG2 ILE 35 2HG2 ILE 35 -13.285 -29.002 -8.802 213 3HG2 ILE 35 3HG2 ILE 35 -13.445 -27.685 -7.616 214 1HD1 ILE 35 1HD1 ILE 35 -13.644 -29.325 -11.873 215 2HD1 ILE 35 2HD1 ILE 35 -14.206 -27.816 -12.632 216 3HD1 ILE 35 3HD1 ILE 35 -12.999 -27.759 -11.325 217 H PHE 36 HN PHE 36 -14.300 -24.343 -8.825 218 HA PHE 36 HA PHE 36 -13.665 -24.374 -6.083 219 1HB PHE 36 2HB PHE 36 -13.485 -22.556 -8.494 220 2HB PHE 36 3HB PHE 36 -13.323 -21.767 -6.938 221 HD1 PHE 36 HD1 PHE 36 -11.927 -24.576 -8.941 222 HD2 PHE 36 HD2 PHE 36 -11.259 -21.735 -5.860 223 HE1 PHE 36 HE1 PHE 36 -9.506 -25.234 -8.859 224 HE2 PHE 36 HE2 PHE 36 -8.838 -22.394 -5.778 225 HZ PHE 36 HZ PHE 36 -7.991 -24.136 -7.278 226 H SER 37 HN SER 37 -16.369 -23.071 -7.979 227 HA SER 37 HA SER 37 -17.194 -21.160 -6.148 228 1HB SER 37 2HB SER 37 -19.276 -21.135 -7.388 229 2HB SER 37 3HB SER 37 -17.971 -21.370 -8.533 230 HG SER 37 HG SER 37 -19.743 -22.829 -8.940 231 H GLU 38 HN GLU 38 -17.701 -24.691 -6.404 232 HA GLU 38 HA GLU 38 -19.780 -24.773 -4.515 233 1HB GLU 38 2HB GLU 38 -19.720 -26.640 -5.931 234 2HB GLU 38 3HB GLU 38 -17.976 -26.791 -5.843 235 1HG GLU 38 2HG GLU 38 -19.002 -28.613 -4.565 236 2HG GLU 38 3HG GLU 38 -18.162 -27.541 -3.461 237 H VAL 39 HN VAL 39 -16.431 -24.139 -4.247 238 HA VAL 39 HA VAL 39 -16.355 -25.166 -1.503 239 HB VAL 39 HB VAL 39 -13.987 -24.055 -2.954 240 1HG1 VAL 39 1HG1 VAL 39 -14.520 -26.009 -0.736 241 2HG1 VAL 39 2HG1 VAL 39 -13.015 -26.142 -1.678 242 3HG1 VAL 39 3HG1 VAL 39 -13.386 -24.638 -0.800 243 1HG2 VAL 39 1HG2 VAL 39 -13.642 -26.560 -3.680 244 2HG2 VAL 39 2HG2 VAL 39 -15.419 -26.613 -3.606 245 3HG2 VAL 39 3HG2 VAL 39 -14.608 -25.454 -4.686 246 H GLY 40 HN GLY 40 -17.504 -22.539 -2.999 247 1HA GLY 40 1HA GLY 40 -17.962 -20.793 -1.208 248 2HA GLY 40 2HA GLY 40 -16.221 -20.596 -1.186 249 HA PRO 41 HA PRO 41 -17.961 -17.903 -4.460 250 1HB PRO 41 2HB PRO 41 -17.354 -15.466 -3.383 251 2HB PRO 41 3HB PRO 41 -18.927 -16.221 -3.219 252 1HG PRO 41 2HG PRO 41 -16.779 -15.958 -1.205 253 2HG PRO 41 3HG PRO 41 -18.477 -16.312 -0.959 254 1HD PRO 41 2HD PRO 41 -16.302 -18.179 -0.857 255 2HD PRO 41 3HD PRO 41 -18.009 -18.551 -0.726 256 H VAL 42 HN VAL 42 -16.780 -17.826 -6.255 257 HA VAL 42 HA VAL 42 -13.921 -17.407 -5.795 258 HB VAL 42 HB VAL 42 -14.688 -19.478 -6.912 259 1HG1 VAL 42 1HG1 VAL 42 -16.532 -17.960 -8.183 260 2HG1 VAL 42 2HG1 VAL 42 -15.284 -18.055 -9.450 261 3HG1 VAL 42 3HG1 VAL 42 -15.983 -19.546 -8.774 262 1HG2 VAL 42 1HG2 VAL 42 -13.144 -17.747 -8.858 263 2HG2 VAL 42 2HG2 VAL 42 -12.446 -18.341 -7.332 264 3HG2 VAL 42 3HG2 VAL 42 -12.993 -19.497 -8.570 265 H VAL 43 HN VAL 43 -13.020 -15.475 -6.286 266 HA VAL 43 HA VAL 43 -14.646 -13.427 -7.397 267 HB VAL 43 HB VAL 43 -11.669 -13.479 -6.870 268 1HG1 VAL 43 1HG1 VAL 43 -13.645 -11.337 -7.544 269 2HG1 VAL 43 2HG1 VAL 43 -12.344 -10.949 -6.392 270 3HG1 VAL 43 3HG1 VAL 43 -11.942 -11.520 -8.030 271 1HG2 VAL 43 1HG2 VAL 43 -13.942 -12.713 -5.005 272 2HG2 VAL 43 2HG2 VAL 43 -12.900 -14.150 -4.861 273 3HG2 VAL 43 3HG2 VAL 43 -12.205 -12.523 -4.665 274 H SER 44 HN SER 44 -11.357 -14.466 -8.513 275 HA SER 44 HA SER 44 -12.472 -14.583 -11.194 276 1HB SER 44 2HB SER 44 -10.817 -13.177 -12.123 277 2HB SER 44 3HB SER 44 -11.274 -12.348 -10.648 278 HG SER 44 HG SER 44 -8.822 -13.098 -11.363 279 H PHE 45 HN PHE 45 -10.946 -15.772 -12.742 280 HA PHE 45 HA PHE 45 -8.930 -17.384 -11.454 281 1HB PHE 45 2HB PHE 45 -11.390 -18.398 -11.277 282 2HB PHE 45 3HB PHE 45 -11.234 -18.682 -12.999 283 HD1 PHE 45 HD1 PHE 45 -8.054 -19.155 -12.406 284 HD2 PHE 45 HD2 PHE 45 -11.711 -20.882 -11.122 285 HE1 PHE 45 HE1 PHE 45 -6.869 -21.318 -11.942 286 HE2 PHE 45 HE2 PHE 45 -10.526 -23.045 -10.658 287 HZ PHE 45 HZ PHE 45 -8.120 -23.238 -11.073 288 H ARG 46 HN ARG 46 -7.232 -17.226 -12.835 289 HA ARG 46 HA ARG 46 -7.873 -17.466 -15.659 290 1HB ARG 46 2HB ARG 46 -5.954 -15.497 -14.330 291 2HB ARG 46 3HB ARG 46 -5.882 -15.855 -16.044 292 1HG ARG 46 2HG ARG 46 -8.486 -15.299 -15.976 293 2HG ARG 46 3HG ARG 46 -8.077 -14.464 -14.491 294 1HD ARG 46 2HD ARG 46 -6.071 -13.604 -16.244 295 2HD ARG 46 3HD ARG 46 -7.470 -13.719 -17.293 296 HE ARG 46 HE ARG 46 -7.078 -11.808 -15.117 297 1HH1 ARG 46 2HH2 ARG 46 -9.495 -13.476 -17.057 298 2HH1 ARG 46 1HH2 ARG 46 -10.717 -12.277 -16.795 299 1HH2 ARG 46 2HH1 ARG 46 -8.691 -10.227 -14.771 300 2HH2 ARG 46 1HH1 ARG 46 -10.257 -10.417 -15.485 301 H LEU 47 HN LEU 47 -6.366 -18.718 -16.889 302 HA LEU 47 HA LEU 47 -4.219 -19.925 -15.285 303 1HB LEU 47 2HB LEU 47 -5.491 -21.371 -17.566 304 2HB LEU 47 3HB LEU 47 -4.651 -22.004 -16.164 305 HG LEU 47 HG LEU 47 -7.014 -20.629 -15.276 306 1HD1 LEU 47 1HD1 LEU 47 -7.393 -22.494 -17.611 307 2HD1 LEU 47 2HD1 LEU 47 -8.642 -22.304 -16.358 308 3HD1 LEU 47 3HD1 LEU 47 -8.118 -20.896 -17.313 309 1HD2 LEU 47 1HD2 LEU 47 -6.392 -22.216 -13.795 310 2HD2 LEU 47 2HD2 LEU 47 -7.500 -23.228 -14.753 311 3HD2 LEU 47 3HD2 LEU 47 -5.746 -23.299 -15.052 312 H VAL 48 HN VAL 48 -2.582 -21.050 -16.993 313 HA VAL 48 HA VAL 48 -1.676 -18.813 -18.591 314 HB VAL 48 HB VAL 48 0.296 -20.411 -18.915 315 1HG1 VAL 48 1HG1 VAL 48 0.993 -18.855 -17.451 316 2HG1 VAL 48 2HG1 VAL 48 -0.547 -18.871 -16.557 317 3HG1 VAL 48 3HG1 VAL 48 0.699 -20.094 -16.207 318 1HG2 VAL 48 1HG2 VAL 48 -0.459 -21.848 -16.447 319 2HG2 VAL 48 2HG2 VAL 48 -1.396 -22.300 -17.892 320 3HG2 VAL 48 3HG2 VAL 48 0.380 -22.428 -17.906 321 H TYR 49 HN TYR 49 -2.115 -18.605 -20.721 322 HA TYR 49 HA TYR 49 -2.761 -21.075 -22.185 323 1HB TYR 49 2HB TYR 49 -4.158 -18.486 -21.703 324 2HB TYR 49 3HB TYR 49 -3.986 -18.810 -23.416 325 HD1 TYR 49 HD1 TYR 49 -5.085 -20.774 -24.445 326 HD2 TYR 49 HD2 TYR 49 -5.630 -19.824 -20.309 327 HE1 TYR 49 HE1 TYR 49 -7.106 -22.314 -24.350 328 HE2 TYR 49 HE2 TYR 49 -7.648 -21.367 -20.228 329 HH TYR 49 HH TYR 49 -9.323 -22.269 -22.647 330 H ASP 50 HN ASP 50 -1.311 -21.479 -23.772 331 HA ASP 50 HA ASP 50 0.586 -19.531 -24.464 332 1HB ASP 50 2HB ASP 50 -0.092 -22.339 -25.280 333 2HB ASP 50 3HB ASP 50 0.848 -21.411 -26.431 334 H ARG 51 HN ARG 51 0.024 -17.779 -25.774 335 HA ARG 51 HA ARG 51 -2.215 -17.916 -27.461 336 1HB ARG 51 2HB ARG 51 0.007 -15.876 -27.035 337 2HB ARG 51 3HB ARG 51 -1.204 -15.629 -28.277 338 1HG ARG 51 2HG ARG 51 -3.011 -15.814 -26.560 339 2HG ARG 51 3HG ARG 51 -1.807 -16.079 -25.315 340 1HD ARG 51 2HD ARG 51 -1.096 -13.857 -25.320 341 2HD ARG 51 3HD ARG 51 -1.453 -13.628 -27.020 342 HE ARG 51 HE ARG 51 -3.327 -13.303 -24.775 343 1HH1 ARG 51 2HH2 ARG 51 -2.988 -13.712 -28.253 344 2HH1 ARG 51 1HH2 ARG 51 -4.545 -13.044 -28.612 345 1HH2 ARG 51 2HH1 ARG 51 -5.381 -12.422 -25.248 346 2HH2 ARG 51 1HH1 ARG 51 -5.916 -12.305 -26.891 347 H GLU 52 HN GLU 52 1.275 -18.447 -27.819 348 HA GLU 52 HA GLU 52 1.332 -18.129 -30.610 349 1HB GLU 52 2HB GLU 52 3.280 -18.102 -28.863 350 2HB GLU 52 3HB GLU 52 3.268 -19.847 -29.026 351 1HG GLU 52 2HG GLU 52 3.193 -18.518 -31.651 352 2HG GLU 52 3HG GLU 52 4.587 -18.015 -30.715 353 H THR 53 HN THR 53 0.535 -20.785 -28.389 354 HA THR 53 HA THR 53 0.279 -22.586 -30.705 355 HB THR 53 HB THR 53 0.717 -24.374 -29.167 356 HG1 THR 53 HG1 THR 53 -0.034 -24.106 -27.090 357 1HG2 THR 53 1HG2 THR 53 2.766 -23.810 -28.044 358 2HG2 THR 53 2HG2 THR 53 2.719 -22.719 -29.450 359 3HG2 THR 53 3HG2 THR 53 2.273 -22.112 -27.838 360 H GLY 54 HN GLY 54 -1.493 -20.450 -28.854 361 1HA GLY 54 1HA GLY 54 -3.684 -20.219 -28.400 362 2HA GLY 54 2HA GLY 54 -3.950 -21.168 -29.849 363 H LYS 55 HN LYS 55 -2.086 -22.717 -27.311 364 HA LYS 55 HA LYS 55 -4.492 -24.217 -26.538 365 1HB LYS 55 2HB LYS 55 -1.769 -25.127 -27.366 366 2HB LYS 55 3HB LYS 55 -2.578 -26.029 -26.100 367 1HG LYS 55 2HG LYS 55 -4.051 -26.960 -27.565 368 2HG LYS 55 3HG LYS 55 -4.433 -25.409 -28.286 369 1HD LYS 55 2HD LYS 55 -1.863 -25.842 -29.241 370 2HD LYS 55 3HD LYS 55 -2.488 -27.477 -29.172 371 1HE LYS 55 2HE LYS 55 -4.122 -27.082 -30.788 372 2HE LYS 55 3HE LYS 55 -4.310 -25.396 -30.347 373 1HZ LYS 55 1HZ LYS 55 -2.385 -24.839 -31.495 374 2HZ LYS 55 2HZ LYS 55 -1.854 -26.380 -31.601 375 3HZ LYS 55 3HZ LYS 55 -3.136 -25.895 -32.489 376 HA PRO 56 HA PRO 56 -3.492 -23.021 -22.510 377 1HB PRO 56 2HB PRO 56 -4.958 -24.828 -21.077 378 2HB PRO 56 3HB PRO 56 -5.650 -23.387 -21.796 379 1HG PRO 56 2HG PRO 56 -5.873 -26.195 -22.691 380 2HG PRO 56 3HG PRO 56 -6.873 -24.823 -23.123 381 1HD PRO 56 2HD PRO 56 -4.832 -26.032 -24.735 382 2HD PRO 56 3HD PRO 56 -5.752 -24.591 -25.116 383 H LYS 57 HN LYS 57 -1.905 -23.221 -21.009 384 HA LYS 57 HA LYS 57 -0.002 -25.174 -21.470 385 1HB LYS 57 2HB LYS 57 -0.436 -22.968 -19.646 386 2HB LYS 57 3HB LYS 57 0.274 -24.325 -18.795 387 1HG LYS 57 2HG LYS 57 1.360 -23.307 -21.458 388 2HG LYS 57 3HG LYS 57 1.926 -22.700 -19.914 389 1HD LYS 57 2HD LYS 57 3.329 -24.468 -19.724 390 2HD LYS 57 3HD LYS 57 1.960 -25.563 -19.730 391 1HE LYS 57 2HE LYS 57 2.019 -25.786 -22.140 392 2HE LYS 57 3HE LYS 57 3.117 -24.431 -22.313 393 1HZ LYS 57 1HZ LYS 57 4.160 -26.424 -20.596 394 2HZ LYS 57 2HZ LYS 57 3.824 -27.027 -22.076 395 3HZ LYS 57 3HZ LYS 57 4.828 -25.748 -21.924 396 H GLY 58 HN GLY 58 -2.418 -24.965 -18.760 397 1HA GLY 58 1HA GLY 58 -3.574 -27.270 -18.625 398 2HA GLY 58 2HA GLY 58 -1.955 -27.824 -18.247 399 H TYR 59 HN TYR 59 -1.482 -24.989 -16.962 400 HA TYR 59 HA TYR 59 -2.956 -25.552 -14.477 401 1HB TYR 59 2HB TYR 59 -0.795 -24.722 -13.395 402 2HB TYR 59 3HB TYR 59 -0.548 -26.183 -14.331 403 HD1 TYR 59 HD1 TYR 59 0.237 -22.637 -14.027 404 HD2 TYR 59 HD2 TYR 59 0.577 -26.072 -16.556 405 HE1 TYR 59 HE1 TYR 59 2.056 -21.476 -15.371 406 HE2 TYR 59 HE2 TYR 59 2.394 -24.899 -17.891 407 HH TYR 59 HH TYR 59 3.394 -21.590 -17.057 408 H GLY 60 HN GLY 60 -3.312 -23.654 -13.078 409 1HA GLY 60 1HA GLY 60 -2.851 -21.033 -14.213 410 2HA GLY 60 2HA GLY 60 -4.527 -21.546 -14.233 411 H PHE 61 HN PHE 61 -4.488 -19.476 -12.748 412 HA PHE 61 HA PHE 61 -4.272 -20.467 -10.000 413 1HB PHE 61 2HB PHE 61 -3.467 -17.759 -11.218 414 2HB PHE 61 3HB PHE 61 -3.542 -18.039 -9.490 415 HD1 PHE 61 HD1 PHE 61 -1.791 -19.030 -12.591 416 HD2 PHE 61 HD2 PHE 61 -1.762 -19.108 -8.348 417 HE1 PHE 61 HE1 PHE 61 0.579 -19.855 -12.622 418 HE2 PHE 61 HE2 PHE 61 0.609 -19.934 -8.380 419 HZ PHE 61 HZ PHE 61 1.751 -20.298 -10.516 420 H CYS 62 HN CYS 62 -5.952 -19.854 -8.615 421 HA CYS 62 HA CYS 62 -8.034 -18.238 -9.897 422 1HB CYS 62 2HB CYS 62 -8.548 -20.712 -9.551 423 2HB CYS 62 3HB CYS 62 -8.523 -20.396 -7.827 424 HG CYS 62 HG CYS 62 -10.999 -20.486 -8.942 425 H GLU 63 HN GLU 63 -8.376 -16.300 -8.863 426 HA GLU 63 HA GLU 63 -7.270 -16.061 -6.191 427 1HB GLU 63 2HB GLU 63 -6.369 -14.340 -7.499 428 2HB GLU 63 3HB GLU 63 -7.836 -14.128 -8.433 429 1HG GLU 63 2HG GLU 63 -8.888 -12.845 -6.761 430 2HG GLU 63 3HG GLU 63 -7.927 -13.539 -5.471 431 H TYR 64 HN TYR 64 -8.601 -15.979 -4.427 432 HA TYR 64 HA TYR 64 -11.465 -15.810 -4.939 433 1HB TYR 64 2HB TYR 64 -9.509 -16.810 -2.856 434 2HB TYR 64 3HB TYR 64 -11.047 -16.254 -2.227 435 HD1 TYR 64 HD1 TYR 64 -11.374 -18.603 -1.401 436 HD2 TYR 64 HD2 TYR 64 -11.116 -17.675 -5.570 437 HE1 TYR 64 HE1 TYR 64 -12.417 -20.850 -1.974 438 HE2 TYR 64 HE2 TYR 64 -12.160 -19.925 -6.128 439 HH TYR 64 HH TYR 64 -13.661 -21.542 -4.991 440 H GLN 65 HN GLN 65 -12.391 -14.872 -2.482 441 HA GLN 65 HA GLN 65 -11.374 -12.138 -2.548 442 1HB GLN 65 2HB GLN 65 -13.980 -13.081 -3.042 443 2HB GLN 65 3HB GLN 65 -14.064 -12.448 -1.410 444 1HG GLN 65 2HG GLN 65 -13.380 -10.262 -2.085 445 2HG GLN 65 3HG GLN 65 -12.721 -10.835 -3.604 446 1HE2 GLN 65 1HE2 GLN 65 -15.718 -10.493 -1.753 447 2HE2 GLN 65 2HE2 GLN 65 -16.792 -10.270 -3.093 448 H ASP 66 HN ASP 66 -11.678 -15.015 -0.713 449 HA ASP 66 HA ASP 66 -11.089 -13.479 1.687 450 1HB ASP 66 2HB ASP 66 -12.318 -16.078 2.258 451 2HB ASP 66 3HB ASP 66 -12.738 -14.497 2.885 452 H GLN 67 HN GLN 67 -9.219 -14.250 2.744 453 HA GLN 67 HA GLN 67 -7.613 -16.077 1.437 454 1HB GLN 67 2HB GLN 67 -7.433 -14.317 3.685 455 2HB GLN 67 3HB GLN 67 -6.901 -15.891 4.241 456 1HG GLN 67 2HG GLN 67 -5.029 -15.894 2.892 457 2HG GLN 67 3HG GLN 67 -5.852 -15.104 1.562 458 1HE2 GLN 67 1HE2 GLN 67 -5.835 -12.926 1.355 459 2HE2 GLN 67 2HE2 GLN 67 -4.919 -11.846 2.351 460 H GLU 68 HN GLU 68 -9.818 -16.411 4.270 461 HA GLU 68 HA GLU 68 -9.051 -18.967 4.968 462 1HB GLU 68 2HB GLU 68 -10.405 -17.610 6.457 463 2HB GLU 68 3HB GLU 68 -11.696 -17.490 5.277 464 1HG GLU 68 2HG GLU 68 -11.035 -20.297 5.812 465 2HG GLU 68 3HG GLU 68 -11.416 -19.455 7.301 466 H THR 69 HN THR 69 -11.340 -17.747 2.495 467 HA THR 69 HA THR 69 -12.501 -20.266 1.918 468 HB THR 69 HB THR 69 -12.241 -17.701 0.259 469 HG1 THR 69 HG1 THR 69 -14.392 -17.415 1.326 470 1HG2 THR 69 1HG2 THR 69 -13.585 -18.731 -1.272 471 2HG2 THR 69 2HG2 THR 69 -13.435 -20.253 -0.359 472 3HG2 THR 69 3HG2 THR 69 -14.754 -19.117 0.014 473 H ALA 70 HN ALA 70 -9.671 -18.472 0.614 474 HA ALA 70 HA ALA 70 -9.204 -20.282 -1.490 475 1HB ALA 70 1HB ALA 70 -8.126 -17.854 -0.458 476 2HB ALA 70 2HB ALA 70 -6.786 -19.022 -0.553 477 3HB ALA 70 3HB ALA 70 -7.748 -18.652 -2.004 478 H LEU 71 HN LEU 71 -8.164 -20.102 1.946 479 HA LEU 71 HA LEU 71 -6.309 -22.228 1.719 480 1HB LEU 71 2HB LEU 71 -5.722 -21.475 3.698 481 2HB LEU 71 3HB LEU 71 -7.018 -20.299 3.605 482 HG LEU 71 HG LEU 71 -8.536 -22.067 4.636 483 1HD1 LEU 71 1HD1 LEU 71 -7.713 -24.137 4.718 484 2HD1 LEU 71 2HD1 LEU 71 -6.041 -23.579 4.475 485 3HD1 LEU 71 3HD1 LEU 71 -6.752 -23.577 6.107 486 1HD2 LEU 71 1HD2 LEU 71 -8.236 -20.985 6.560 487 2HD2 LEU 71 2HD2 LEU 71 -6.579 -21.607 6.748 488 3HD2 LEU 71 3HD2 LEU 71 -6.878 -20.154 5.765 489 H SER 72 HN SER 72 -9.740 -21.971 2.845 490 HA SER 72 HA SER 72 -9.978 -24.616 3.575 491 1HB SER 72 2HB SER 72 -11.896 -22.434 2.777 492 2HB SER 72 3HB SER 72 -12.520 -24.067 2.903 493 HG SER 72 HG SER 72 -12.731 -23.485 4.977 494 H ALA 73 HN ALA 73 -10.304 -22.953 0.414 495 HA ALA 73 HA ALA 73 -11.464 -25.126 -0.955 496 1HB ALA 73 1HB ALA 73 -9.712 -22.969 -2.168 497 2HB ALA 73 2HB ALA 73 -11.108 -23.804 -2.891 498 3HB ALA 73 3HB ALA 73 -11.357 -22.626 -1.580 499 H MET 74 HN MET 74 -8.097 -24.101 -0.243 500 HA MET 74 HA MET 74 -6.880 -25.875 -1.996 501 1HB MET 74 2HB MET 74 -6.140 -23.929 -0.037 502 2HB MET 74 3HB MET 74 -5.354 -25.408 0.477 503 1HG MET 74 2HG MET 74 -4.996 -25.252 -2.363 504 2HG MET 74 3HG MET 74 -4.651 -23.653 -1.733 505 1HE MET 74 1HE MET 74 -3.169 -23.050 -0.036 506 2HE MET 74 2HE MET 74 -3.219 -24.247 1.280 507 3HE MET 74 3HE MET 74 -1.687 -23.914 0.437 508 H ARG 75 HN ARG 75 -7.747 -26.157 1.509 509 HA ARG 75 HA ARG 75 -6.681 -28.773 1.643 510 1HB ARG 75 2HB ARG 75 -6.925 -27.083 3.580 511 2HB ARG 75 3HB ARG 75 -8.636 -27.459 3.590 512 1HG ARG 75 2HG ARG 75 -7.450 -29.995 3.596 513 2HG ARG 75 3HG ARG 75 -6.356 -29.056 4.593 514 1HD ARG 75 2HD ARG 75 -7.873 -28.881 6.301 515 2HD ARG 75 3HD ARG 75 -9.192 -28.497 5.213 516 HE ARG 75 HE ARG 75 -9.798 -30.760 5.180 517 1HH1 ARG 75 2HH2 ARG 75 -6.516 -30.461 6.415 518 2HH1 ARG 75 1HH2 ARG 75 -6.396 -32.130 6.862 519 1HH2 ARG 75 2HH1 ARG 75 -9.640 -32.962 5.770 520 2HH2 ARG 75 1HH1 ARG 75 -8.185 -33.562 6.492 521 H ASN 76 HN ASN 76 -9.752 -27.280 0.780 522 HA ASN 76 HA ASN 76 -11.338 -29.546 1.327 523 1HB ASN 76 2HB ASN 76 -11.696 -26.947 -0.196 524 2HB ASN 76 3HB ASN 76 -12.884 -28.216 -0.421 525 1HD2 ASN 76 1HD2 ASN 76 -12.980 -25.540 0.871 526 2HD2 ASN 76 2HD2 ASN 76 -13.613 -25.788 2.465 527 H LEU 77 HN LEU 77 -9.488 -28.212 -1.441 528 HA LEU 77 HA LEU 77 -10.412 -30.434 -3.111 529 1HB LEU 77 2HB LEU 77 -9.091 -27.811 -3.814 530 2HB LEU 77 3HB LEU 77 -9.423 -29.091 -4.965 531 HG LEU 77 HG LEU 77 -11.739 -28.149 -3.358 532 1HD1 LEU 77 1HD1 LEU 77 -10.125 -26.342 -5.070 533 2HD1 LEU 77 2HD1 LEU 77 -11.888 -26.306 -5.310 534 3HD1 LEU 77 3HD1 LEU 77 -11.202 -25.980 -3.700 535 1HD2 LEU 77 1HD2 LEU 77 -12.813 -28.309 -5.645 536 2HD2 LEU 77 2HD2 LEU 77 -11.265 -28.966 -6.230 537 3HD2 LEU 77 3HD2 LEU 77 -12.178 -29.828 -4.967 538 H ASN 78 HN ASN 78 -7.356 -28.636 -3.501 539 HA ASN 78 HA ASN 78 -5.347 -29.456 -3.855 540 1HB ASN 78 2HB ASN 78 -4.932 -29.035 -1.572 541 2HB ASN 78 3HB ASN 78 -6.105 -30.219 -1.031 542 1HD2 ASN 78 1HD2 ASN 78 -3.230 -30.202 -3.144 543 2HD2 ASN 78 2HD2 ASN 78 -2.423 -31.555 -2.424 544 H GLY 79 HN GLY 79 -5.756 -31.006 -5.598 545 1HA GLY 79 1HA GLY 79 -5.395 -33.056 -6.503 546 2HA GLY 79 2HA GLY 79 -5.166 -33.732 -4.903 547 H ARG 80 HN ARG 80 -8.018 -31.838 -6.038 548 HA ARG 80 HA ARG 80 -9.685 -33.962 -5.134 549 1HB ARG 80 2HB ARG 80 -10.354 -31.638 -4.689 550 2HB ARG 80 3HB ARG 80 -10.286 -31.242 -6.394 551 1HG ARG 80 2HG ARG 80 -12.497 -31.757 -6.488 552 2HG ARG 80 3HG ARG 80 -12.024 -33.437 -6.338 553 1HD ARG 80 2HD ARG 80 -12.703 -33.575 -4.140 554 2HD ARG 80 3HD ARG 80 -12.109 -31.974 -3.747 555 HE ARG 80 HE ARG 80 -14.483 -32.007 -5.494 556 1HH1 ARG 80 2HH2 ARG 80 -13.278 -31.846 -2.192 557 2HH1 ARG 80 1HH2 ARG 80 -14.727 -31.136 -1.562 558 1HH2 ARG 80 2HH1 ARG 80 -16.395 -31.069 -4.663 559 2HH2 ARG 80 1HH1 ARG 80 -16.512 -30.691 -2.977 560 H GLU 81 HN GLU 81 -10.434 -35.612 -6.433 561 HA GLU 81 HA GLU 81 -9.709 -35.754 -9.100 562 1HB GLU 81 2HB GLU 81 -12.011 -37.325 -7.897 563 2HB GLU 81 3HB GLU 81 -10.877 -37.839 -9.130 564 1HG GLU 81 2HG GLU 81 -9.552 -38.721 -7.519 565 2HG GLU 81 3HG GLU 81 -9.287 -37.113 -6.875 566 H PHE 82 HN PHE 82 -10.742 -35.216 -11.023 567 HA PHE 82 HA PHE 82 -13.499 -34.799 -11.226 568 1HB PHE 82 2HB PHE 82 -12.975 -32.769 -9.877 569 2HB PHE 82 3HB PHE 82 -11.626 -32.379 -10.925 570 HD1 PHE 82 HD1 PHE 82 -12.161 -31.807 -13.373 571 HD2 PHE 82 HD2 PHE 82 -15.098 -31.891 -10.311 572 HE1 PHE 82 HE1 PHE 82 -13.667 -30.371 -14.777 573 HE2 PHE 82 HE2 PHE 82 -16.604 -30.456 -11.715 574 HZ PHE 82 HZ PHE 82 -15.870 -29.713 -13.932 575 H SER 83 HN SER 83 -10.216 -33.826 -12.379 576 HA SER 83 HA SER 83 -11.206 -33.737 -15.073 577 1HB SER 83 2HB SER 83 -8.547 -33.139 -13.747 578 2HB SER 83 3HB SER 83 -8.643 -33.298 -15.490 579 HG SER 83 HG SER 83 -10.618 -31.693 -15.061 580 H GLY 84 HN GLY 84 -11.035 -36.280 -13.309 581 1HA GLY 84 1HA GLY 84 -10.847 -38.466 -13.955 582 2HA GLY 84 2HA GLY 84 -9.958 -37.988 -15.387 583 H ARG 85 HN ARG 85 -8.664 -36.337 -12.699 584 HA ARG 85 HA ARG 85 -6.892 -38.517 -12.035 585 1HB ARG 85 2HB ARG 85 -6.140 -36.004 -13.488 586 2HB ARG 85 3HB ARG 85 -5.068 -36.463 -12.180 587 1HG ARG 85 2HG ARG 85 -4.101 -37.677 -13.912 588 2HG ARG 85 3HG ARG 85 -5.222 -38.880 -13.307 589 1HD ARG 85 2HD ARG 85 -6.148 -38.973 -15.379 590 2HD ARG 85 3HD ARG 85 -6.752 -37.346 -15.134 591 HE ARG 85 HE ARG 85 -3.963 -37.326 -15.953 592 1HH1 ARG 85 2HH2 ARG 85 -7.252 -37.646 -17.161 593 2HH1 ARG 85 1HH2 ARG 85 -6.857 -37.094 -18.755 594 1HH2 ARG 85 2HH1 ARG 85 -3.441 -36.596 -18.055 595 2HH2 ARG 85 1HH1 ARG 85 -4.675 -36.492 -19.266 596 H ALA 86 HN ALA 86 -6.776 -34.915 -11.547 597 HA ALA 86 HA ALA 86 -8.002 -34.748 -9.117 598 1HB ALA 86 1HB ALA 86 -5.517 -36.196 -8.918 599 2HB ALA 86 2HB ALA 86 -5.355 -34.641 -8.066 600 3HB ALA 86 3HB ALA 86 -6.665 -35.764 -7.628 601 H LEU 87 HN LEU 87 -8.021 -32.587 -8.438 602 HA LEU 87 HA LEU 87 -6.620 -30.791 -10.239 603 1HB LEU 87 2HB LEU 87 -9.020 -30.665 -8.496 604 2HB LEU 87 3HB LEU 87 -8.128 -29.174 -8.725 605 HG LEU 87 HG LEU 87 -10.098 -29.667 -10.290 606 1HD1 LEU 87 1HD1 LEU 87 -8.884 -27.808 -10.889 607 2HD1 LEU 87 2HD1 LEU 87 -7.373 -28.723 -11.106 608 3HD1 LEU 87 3HD1 LEU 87 -8.667 -28.839 -12.324 609 1HD2 LEU 87 1HD2 LEU 87 -9.169 -32.063 -10.690 610 2HD2 LEU 87 2HD2 LEU 87 -9.907 -31.168 -12.040 611 3HD2 LEU 87 3HD2 LEU 87 -8.135 -31.270 -11.903 612 H ARG 88 HN ARG 88 -4.471 -30.752 -9.580 613 HA ARG 88 HA ARG 88 -3.730 -30.738 -6.912 614 1HB ARG 88 2HB ARG 88 -2.315 -29.872 -9.471 615 2HB ARG 88 3HB ARG 88 -1.511 -29.787 -7.916 616 1HG ARG 88 2HG ARG 88 -2.022 -32.250 -7.576 617 2HG ARG 88 3HG ARG 88 -2.686 -32.300 -9.197 618 1HD ARG 88 2HD ARG 88 -0.560 -32.819 -9.860 619 2HD ARG 88 3HD ARG 88 -0.225 -31.110 -9.663 620 HE ARG 88 HE ARG 88 0.097 -32.158 -7.100 621 1HH1 ARG 88 2HH2 ARG 88 1.489 -32.838 -10.259 622 2HH1 ARG 88 1HH2 ARG 88 3.001 -33.386 -9.617 623 1HH2 ARG 88 2HH1 ARG 88 2.092 -32.882 -6.252 624 2HH2 ARG 88 1HH1 ARG 88 3.346 -33.412 -7.322 625 H VAL 89 HN VAL 89 -4.549 -29.129 -5.557 626 HA VAL 89 HA VAL 89 -4.335 -26.368 -6.527 627 HB VAL 89 HB VAL 89 -5.999 -27.524 -4.280 628 1HG1 VAL 89 1HG1 VAL 89 -6.907 -25.427 -3.937 629 2HG1 VAL 89 2HG1 VAL 89 -5.221 -25.010 -4.330 630 3HG1 VAL 89 3HG1 VAL 89 -6.489 -24.857 -5.571 631 1HG2 VAL 89 1HG2 VAL 89 -7.632 -26.525 -6.372 632 2HG2 VAL 89 2HG2 VAL 89 -6.411 -27.577 -7.128 633 3HG2 VAL 89 3HG2 VAL 89 -7.449 -28.210 -5.828 634 H ASP 90 HN ASP 90 -2.727 -25.130 -5.717 635 HA ASP 90 HA ASP 90 -1.819 -25.768 -3.038 636 1HB ASP 90 2HB ASP 90 0.428 -24.890 -4.638 637 2HB ASP 90 3HB ASP 90 0.260 -26.369 -3.714 638 H ASN 91 HN ASN 91 -1.277 -23.856 -1.855 639 HA ASN 91 HA ASN 91 -2.373 -21.533 -2.412 640 1HB ASN 91 2HB ASN 91 -0.624 -22.437 -0.477 641 2HB ASN 91 3HB ASN 91 0.391 -21.254 -1.279 642 1HD2 ASN 91 1HD2 ASN 91 0.229 -19.225 -0.696 643 2HD2 ASN 91 2HD2 ASN 91 -1.072 -18.489 0.179 644 H ALA 92 HN ALA 92 -1.937 -19.689 -3.718 645 HA ALA 92 HA ALA 92 -0.080 -20.047 -5.847 646 1HB ALA 92 1HB ALA 92 -1.706 -17.604 -5.036 647 2HB ALA 92 2HB ALA 92 -0.978 -17.920 -6.629 648 3HB ALA 92 3HB ALA 92 -2.315 -18.938 -6.043 649 H ALA 93 HN ALA 93 0.176 -18.971 -2.602 650 HA ALA 93 HA ALA 93 2.338 -17.117 -3.194 651 1HB ALA 93 1HB ALA 93 1.902 -17.693 -0.383 652 2HB ALA 93 2HB ALA 93 1.686 -16.163 -1.266 653 3HB ALA 93 3HB ALA 93 0.355 -17.343 -1.191 654 H SER 94 HN SER 94 2.450 -20.081 -3.819 655 HA SER 94 HA SER 94 4.240 -21.098 -1.845 656 1HB SER 94 2HB SER 94 2.676 -22.141 -4.052 657 2HB SER 94 3HB SER 94 4.335 -22.676 -4.232 658 HG SER 94 HG SER 94 3.863 -24.144 -2.755 659 H GLU 95 HN GLU 95 6.509 -21.661 -2.256 660 HA GLU 95 HA GLU 95 7.849 -19.638 -3.627 661 1HB GLU 95 2HB GLU 95 8.604 -22.144 -2.162 662 2HB GLU 95 3HB GLU 95 9.809 -21.474 -3.244 663 1HG GLU 95 2HG GLU 95 9.268 -19.182 -2.064 664 2HG GLU 95 3HG GLU 95 8.526 -20.169 -0.820 665 H LYS 96 HN LYS 96 6.898 -22.985 -4.466 666 HA LYS 96 HA LYS 96 8.477 -23.021 -6.851 667 1HB LYS 96 2HB LYS 96 7.602 -25.189 -7.183 668 2HB LYS 96 3HB LYS 96 7.846 -25.030 -5.456 669 1HG LYS 96 2HG LYS 96 5.505 -24.731 -5.030 670 2HG LYS 96 3HG LYS 96 5.156 -24.369 -6.709 671 1HD LYS 96 2HD LYS 96 4.603 -26.561 -6.948 672 2HD LYS 96 3HD LYS 96 6.318 -26.913 -6.856 673 1HE LYS 96 2HE LYS 96 4.929 -26.522 -4.229 674 2HE LYS 96 3HE LYS 96 4.467 -27.953 -5.128 675 1HZ LYS 96 1HZ LYS 96 6.282 -28.770 -4.152 676 2HZ LYS 96 2HZ LYS 96 7.097 -28.037 -5.362 677 3HZ LYS 96 3HZ LYS 96 6.981 -27.315 -3.902 678 H ASN 97 HN ASN 97 5.168 -22.111 -5.893 679 HA ASN 97 HA ASN 97 4.174 -22.062 -8.513 680 1HB ASN 97 2HB ASN 97 3.251 -21.408 -5.807 681 2HB ASN 97 3HB ASN 97 2.728 -20.169 -6.932 682 1HD2 ASN 97 1HD2 ASN 97 2.058 -23.142 -5.615 683 2HD2 ASN 97 2HD2 ASN 97 0.889 -23.740 -6.744 684 H LYS 98 HN LYS 98 6.248 -19.998 -6.601 685 HA LYS 98 HA LYS 98 5.581 -17.503 -7.705 686 1HB LYS 98 2HB LYS 98 7.401 -18.556 -5.792 687 2HB LYS 98 3HB LYS 98 8.353 -17.650 -6.950 688 1HG LYS 98 2HG LYS 98 6.751 -15.710 -6.692 689 2HG LYS 98 3HG LYS 98 5.892 -16.616 -5.463 690 1HD LYS 98 2HD LYS 98 7.630 -16.433 -3.901 691 2HD LYS 98 3HD LYS 98 8.871 -16.298 -5.131 692 1HE LYS 98 2HE LYS 98 8.561 -14.009 -5.405 693 2HE LYS 98 3HE LYS 98 6.846 -14.084 -5.052 694 1HZ LYS 98 1HZ LYS 98 9.074 -14.087 -3.165 695 2HZ LYS 98 2HZ LYS 98 7.770 -13.105 -3.205 696 3HZ LYS 98 3HZ LYS 98 7.610 -14.655 -2.716 697 H GLU 99 HN GLU 99 7.631 -20.218 -8.775 698 HA GLU 99 HA GLU 99 8.996 -18.772 -10.731 699 1HB GLU 99 2HB GLU 99 9.566 -21.075 -9.737 700 2HB GLU 99 3HB GLU 99 8.357 -21.748 -10.813 701 1HG GLU 99 2HG GLU 99 9.916 -20.068 -12.473 702 2HG GLU 99 3HG GLU 99 11.084 -20.841 -11.420 703 H GLU 100 HN GLU 100 5.923 -20.654 -10.727 704 HA GLU 100 HA GLU 100 5.565 -20.416 -13.507 705 1HB GLU 100 2HB GLU 100 4.404 -21.892 -11.453 706 2HB GLU 100 3HB GLU 100 3.122 -20.775 -11.875 707 1HG GLU 100 2HG GLU 100 2.662 -22.378 -13.468 708 2HG GLU 100 3HG GLU 100 3.855 -21.478 -14.384 709 H LEU 101 HN LEU 101 4.414 -18.593 -10.617 710 HA LEU 101 HA LEU 101 2.637 -16.931 -11.999 711 1HB LEU 101 2HB LEU 101 4.035 -16.866 -9.359 712 2HB LEU 101 3HB LEU 101 3.221 -15.420 -9.922 713 HG LEU 101 HG LEU 101 1.501 -17.745 -10.204 714 1HD1 LEU 101 1HD1 LEU 101 2.299 -18.875 -8.402 715 2HD1 LEU 101 2HD1 LEU 101 2.967 -17.415 -7.633 716 3HD1 LEU 101 3HD1 LEU 101 1.219 -17.744 -7.552 717 1HD2 LEU 101 1HD2 LEU 101 -0.087 -16.346 -9.045 718 2HD2 LEU 101 2HD2 LEU 101 1.208 -15.246 -8.516 719 3HD2 LEU 101 3HD2 LEU 101 0.796 -15.370 -10.244 720 H LYS 102 HN LYS 102 6.166 -16.892 -11.543 721 HA LYS 102 HA LYS 102 6.674 -14.255 -12.169 722 1HB LYS 102 2HB LYS 102 8.140 -16.644 -11.766 723 2HB LYS 102 3HB LYS 102 8.670 -16.002 -13.308 724 1HG LYS 102 2HG LYS 102 8.942 -13.727 -12.172 725 2HG LYS 102 3HG LYS 102 8.606 -14.514 -10.643 726 1HD LYS 102 2HD LYS 102 10.575 -15.918 -10.823 727 2HD LYS 102 3HD LYS 102 10.821 -15.478 -12.501 728 1HE LYS 102 2HE LYS 102 11.130 -13.049 -11.704 729 2HE LYS 102 3HE LYS 102 11.145 -13.669 -10.065 730 1HZ LYS 102 1HZ LYS 102 12.960 -14.617 -12.170 731 2HZ LYS 102 2HZ LYS 102 13.349 -13.459 -11.086 732 3HZ LYS 102 3HZ LYS 102 13.033 -14.979 -10.580 733 H SER 103 HN SER 103 5.647 -16.968 -14.209 734 HA SER 103 HA SER 103 6.281 -15.518 -16.595 735 1HB SER 103 2HB SER 103 6.396 -18.072 -16.304 736 2HB SER 103 3HB SER 103 4.644 -18.073 -16.345 737 HG SER 103 HG SER 103 6.506 -17.600 -18.430 738 H LEU 104 HN LEU 104 3.478 -16.277 -14.510 739 HA LEU 104 HA LEU 104 1.585 -15.229 -16.396 740 1HB LEU 104 2HB LEU 104 1.397 -17.051 -14.458 741 2HB LEU 104 3HB LEU 104 0.923 -15.645 -13.526 742 HG LEU 104 HG LEU 104 -0.961 -15.220 -14.930 743 1HD1 LEU 104 1HD1 LEU 104 -0.475 -15.528 -17.126 744 2HD1 LEU 104 2HD1 LEU 104 0.445 -17.024 -16.835 745 3HD1 LEU 104 3HD1 LEU 104 -1.335 -17.058 -16.831 746 1HD2 LEU 104 1HD2 LEU 104 -0.586 -18.041 -14.002 747 2HD2 LEU 104 2HD2 LEU 104 -1.667 -16.767 -13.390 748 3HD2 LEU 104 3HD2 LEU 104 -2.056 -17.611 -14.908 749 H GLY 105 HN GLY 105 3.993 -13.785 -14.672 750 1HA GLY 105 1HA GLY 105 4.379 -11.586 -14.292 751 2HA GLY 105 2HA GLY 105 2.761 -11.204 -14.847 752 H THR 106 HN THR 106 4.645 -10.746 -12.266 753 HA THR 106 HA THR 106 2.711 -11.557 -10.234 754 HB THR 106 HB THR 106 5.154 -12.017 -9.921 755 HG1 THR 106 HG1 THR 106 3.879 -11.549 -8.036 756 1HG2 THR 106 1HG2 THR 106 6.693 -10.142 -9.494 757 2HG2 THR 106 2HG2 THR 106 6.023 -9.959 -11.133 758 3HG2 THR 106 3HG2 THR 106 5.391 -8.966 -9.797 759 H GLY 107 HN GLY 107 2.554 -9.253 -12.411 760 1HA GLY 107 1HA GLY 107 0.967 -7.538 -10.834 761 2HA GLY 107 2HA GLY 107 2.543 -6.807 -11.065 762 H ALA 108 HN ALA 108 -0.081 -8.486 -12.933 763 HA ALA 108 HA ALA 108 0.563 -6.686 -15.168 764 1HB ALA 108 1HB ALA 108 -1.016 -9.148 -15.678 765 2HB ALA 108 2HB ALA 108 0.322 -8.432 -16.608 766 3HB ALA 108 3HB ALA 108 0.667 -9.417 -15.166 767 HA PRO 109 HA PRO 109 -3.465 -5.348 -13.806 768 1HB PRO 109 2HB PRO 109 -3.143 -2.708 -14.432 769 2HB PRO 109 3HB PRO 109 -2.748 -3.375 -12.861 770 1HG PRO 109 2HG PRO 109 -0.924 -2.555 -15.037 771 2HG PRO 109 3HG PRO 109 -0.563 -2.815 -13.342 772 1HD PRO 109 2HD PRO 109 0.043 -4.585 -15.516 773 2HD PRO 109 3HD PRO 109 0.298 -4.894 -13.810 774 H VAL 110 HN VAL 110 -3.700 -6.899 -15.793 775 HA VAL 110 HA VAL 110 -4.880 -5.181 -17.863 776 HB VAL 110 HB VAL 110 -2.776 -6.158 -18.630 777 1HG1 VAL 110 1HG1 VAL 110 -2.423 -8.116 -17.416 778 2HG1 VAL 110 2HG1 VAL 110 -4.064 -8.730 -17.730 779 3HG1 VAL 110 3HG1 VAL 110 -2.850 -8.728 -19.032 780 1HG2 VAL 110 1HG2 VAL 110 -5.046 -7.616 -20.001 781 2HG2 VAL 110 2HG2 VAL 110 -4.823 -5.855 -20.129 782 3HG2 VAL 110 3HG2 VAL 110 -3.555 -6.957 -20.716 783 H ILE 111 HN ILE 111 -6.951 -5.724 -18.524 784 HA ILE 111 HA ILE 111 -8.216 -7.796 -16.916 785 HB ILE 111 HB ILE 111 -10.284 -6.747 -17.502 786 1HG1 ILE 111 2HG1 ILE 111 -8.915 -4.628 -19.130 787 2HG1 ILE 111 3HG1 ILE 111 -9.341 -6.150 -19.887 788 1HG2 ILE 111 1HG2 ILE 111 -8.162 -5.458 -16.109 789 2HG2 ILE 111 2HG2 ILE 111 -9.096 -4.210 -16.968 790 3HG2 ILE 111 3HG2 ILE 111 -9.918 -5.321 -15.846 791 1HD1 ILE 111 1HD1 ILE 111 -11.113 -3.974 -18.865 792 2HD1 ILE 111 2HD1 ILE 111 -11.349 -5.085 -20.235 793 3HD1 ILE 111 3HD1 ILE 111 -11.681 -5.636 -18.576 Start of MODEL 4 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 3.122 -0.026 -0.949 3 1HB ASP 8 2HB ASP 8 2.515 -1.959 -1.995 4 2HB ASP 8 3HB ASP 8 0.811 -1.671 -1.704 5 HA PRO 9 HA PRO 9 0.432 2.788 -3.735 6 1HB PRO 9 2HB PRO 9 -2.161 3.283 -3.026 7 2HB PRO 9 3HB PRO 9 -1.703 2.056 -4.191 8 1HG PRO 9 2HG PRO 9 -2.590 1.714 -1.391 9 2HG PRO 9 3HG PRO 9 -2.540 0.528 -2.680 10 1HD PRO 9 2HD PRO 9 -0.693 0.771 -0.499 11 2HD PRO 9 3HD PRO 9 -0.580 -0.340 -1.849 12 H ALA 10 HN ALA 10 -1.714 3.768 -1.194 13 HA ALA 10 HA ALA 10 -1.509 5.373 0.355 14 1HB ALA 10 1HB ALA 10 1.185 6.328 -0.489 15 2HB ALA 10 2HB ALA 10 0.544 6.003 1.140 16 3HB ALA 10 3HB ALA 10 1.099 4.656 0.117 17 H VAL 11 HN VAL 11 -1.324 5.549 -3.002 18 HA VAL 11 HA VAL 11 -1.351 8.437 -3.150 19 HB VAL 11 HB VAL 11 -1.791 6.348 -5.291 20 1HG1 VAL 11 1HG1 VAL 11 -2.211 9.097 -5.372 21 2HG1 VAL 11 2HG1 VAL 11 -0.592 8.893 -6.082 22 3HG1 VAL 11 3HG1 VAL 11 -1.981 8.019 -6.770 23 1HG2 VAL 11 1HG2 VAL 11 0.692 7.413 -4.022 24 2HG2 VAL 11 2HG2 VAL 11 0.353 5.810 -4.716 25 3HG2 VAL 11 3HG2 VAL 11 0.700 7.188 -5.787 26 H ASP 12 HN ASP 12 -3.577 5.654 -3.142 27 HA ASP 12 HA ASP 12 -5.775 7.120 -4.088 28 1HB ASP 12 2HB ASP 12 -5.280 4.486 -3.765 29 2HB ASP 12 3HB ASP 12 -6.115 4.754 -2.248 30 H ARG 13 HN ARG 13 -4.533 6.093 -0.838 31 HA ARG 13 HA ARG 13 -6.632 6.991 0.660 32 1HB ARG 13 2HB ARG 13 -3.777 6.308 1.107 33 2HB ARG 13 3HB ARG 13 -4.393 7.459 2.275 34 1HG ARG 13 2HG ARG 13 -6.249 5.952 2.864 35 2HG ARG 13 3HG ARG 13 -5.797 4.835 1.592 36 1HD ARG 13 2HD ARG 13 -3.608 4.417 2.718 37 2HD ARG 13 3HD ARG 13 -4.026 5.562 3.977 38 HE ARG 13 HE ARG 13 -6.027 3.448 3.625 39 1HH1 ARG 13 2HH2 ARG 13 -3.034 4.348 5.242 40 2HH1 ARG 13 1HH2 ARG 13 -3.243 3.215 6.536 41 1HH2 ARG 13 2HH1 ARG 13 -6.304 1.954 5.331 42 2HH2 ARG 13 1HH1 ARG 13 -5.115 1.844 6.587 43 H SER 14 HN SER 14 -3.759 8.716 -0.650 44 HA SER 14 HA SER 14 -4.051 11.039 0.811 45 1HB SER 14 2HB SER 14 -2.647 10.183 -1.666 46 2HB SER 14 3HB SER 14 -2.986 11.901 -1.591 47 HG SER 14 HG SER 14 -0.900 11.201 -0.621 48 H LEU 15 HN LEU 15 -5.525 9.918 -2.275 49 HA LEU 15 HA LEU 15 -6.761 12.415 -2.833 50 1HB LEU 15 2HB LEU 15 -7.253 9.629 -3.893 51 2HB LEU 15 3HB LEU 15 -8.005 11.081 -4.521 52 HG LEU 15 HG LEU 15 -5.183 10.127 -4.782 53 1HD1 LEU 15 1HD1 LEU 15 -5.966 11.542 -7.047 54 2HD1 LEU 15 2HD1 LEU 15 -5.976 9.775 -6.830 55 3HD1 LEU 15 3HD1 LEU 15 -7.449 10.720 -6.504 56 1HD2 LEU 15 1HD2 LEU 15 -6.013 13.012 -4.589 57 2HD2 LEU 15 2HD2 LEU 15 -4.605 12.186 -3.879 58 3HD2 LEU 15 3HD2 LEU 15 -4.654 12.517 -5.627 59 H ARG 16 HN ARG 16 -7.304 9.972 -0.500 60 HA ARG 16 HA ARG 16 -10.085 10.812 -0.311 61 1HB ARG 16 2HB ARG 16 -8.743 8.249 0.687 62 2HB ARG 16 3HB ARG 16 -10.414 8.667 1.010 63 1HG ARG 16 2HG ARG 16 -10.949 8.642 -1.386 64 2HG ARG 16 3HG ARG 16 -9.261 8.435 -1.807 65 1HD ARG 16 2HD ARG 16 -10.619 6.289 -1.874 66 2HD ARG 16 3HD ARG 16 -9.197 6.203 -0.853 67 HE ARG 16 HE ARG 16 -11.485 7.078 0.685 68 1HH1 ARG 16 2HH2 ARG 16 -10.039 4.214 -0.760 69 2HH1 ARG 16 1HH2 ARG 16 -10.775 3.119 0.362 70 1HH2 ARG 16 2HH1 ARG 16 -12.457 5.634 2.166 71 2HH2 ARG 16 1HH1 ARG 16 -12.160 3.933 2.038 72 H SER 17 HN SER 17 -8.482 12.682 0.718 73 HA SER 17 HA SER 17 -9.006 12.516 3.484 74 1HB SER 17 2HB SER 17 -6.130 12.347 2.515 75 2HB SER 17 3HB SER 17 -6.525 13.001 4.093 76 HG SER 17 HG SER 17 -6.024 10.677 4.092 77 H VAL 18 HN VAL 18 -9.515 14.591 4.125 78 HA VAL 18 HA VAL 18 -8.322 16.773 2.559 79 HB VAL 18 HB VAL 18 -10.690 17.806 3.339 80 1HG1 VAL 18 1HG1 VAL 18 -9.701 17.861 1.077 81 2HG1 VAL 18 2HG1 VAL 18 -10.241 16.186 0.808 82 3HG1 VAL 18 3HG1 VAL 18 -11.440 17.482 1.037 83 1HG2 VAL 18 1HG2 VAL 18 -11.191 14.851 2.857 84 2HG2 VAL 18 2HG2 VAL 18 -11.559 15.785 4.327 85 3HG2 VAL 18 3HG2 VAL 18 -12.452 16.107 2.821 86 H PHE 19 HN PHE 19 -7.221 18.236 3.766 87 HA PHE 19 HA PHE 19 -7.158 17.868 6.597 88 1HB PHE 19 2HB PHE 19 -5.192 18.467 5.106 89 2HB PHE 19 3HB PHE 19 -5.987 19.967 4.673 90 HD1 PHE 19 HD1 PHE 19 -5.067 21.818 5.666 91 HD2 PHE 19 HD2 PHE 19 -5.184 18.194 7.870 92 HE1 PHE 19 HE1 PHE 19 -3.965 22.964 7.609 93 HE2 PHE 19 HE2 PHE 19 -4.082 19.339 9.813 94 HZ PHE 19 HZ PHE 19 -3.486 21.710 9.659 95 H VAL 20 HN VAL 20 -8.249 18.988 8.160 96 HA VAL 20 HA VAL 20 -9.707 21.377 7.259 97 HB VAL 20 HB VAL 20 -10.629 19.612 9.502 98 1HG1 VAL 20 1HG1 VAL 20 -12.130 21.359 7.522 99 2HG1 VAL 20 2HG1 VAL 20 -12.816 20.518 8.932 100 3HG1 VAL 20 3HG1 VAL 20 -11.651 21.844 9.167 101 1HG2 VAL 20 1HG2 VAL 20 -10.816 19.048 6.558 102 2HG2 VAL 20 2HG2 VAL 20 -10.565 17.930 7.920 103 3HG2 VAL 20 3HG2 VAL 20 -12.179 18.617 7.619 104 H GLY 21 HN GLY 21 -9.405 23.235 8.433 105 1HA GLY 21 1HA GLY 21 -8.079 22.998 11.050 106 2HA GLY 21 2HA GLY 21 -7.348 23.980 9.796 107 H ASN 22 HN ASN 22 -7.803 25.539 11.797 108 HA ASN 22 HA ASN 22 -8.836 27.291 12.544 109 1HB ASN 22 2HB ASN 22 -9.029 27.679 9.939 110 2HB ASN 22 3HB ASN 22 -10.722 27.279 10.149 111 1HD2 ASN 22 1HD2 ASN 22 -10.419 29.633 9.202 112 2HD2 ASN 22 2HD2 ASN 22 -10.602 30.911 10.357 113 H ILE 23 HN ILE 23 -9.897 24.537 13.091 114 HA ILE 23 HA ILE 23 -12.763 25.049 13.346 115 HB ILE 23 HB ILE 23 -11.439 22.452 14.015 116 1HG1 ILE 23 2HG1 ILE 23 -12.116 23.329 11.193 117 2HG1 ILE 23 3HG1 ILE 23 -10.491 23.192 11.834 118 1HG2 ILE 23 1HG2 ILE 23 -14.134 23.464 13.617 119 2HG2 ILE 23 2HG2 ILE 23 -13.797 22.050 12.589 120 3HG2 ILE 23 3HG2 ILE 23 -13.577 21.942 14.352 121 1HD1 ILE 23 1HD1 ILE 23 -10.546 21.027 11.148 122 2HD1 ILE 23 2HD1 ILE 23 -11.650 20.730 12.513 123 3HD1 ILE 23 3HD1 ILE 23 -12.307 21.080 10.896 124 HA PRO 24 HA PRO 24 -11.907 26.031 17.512 125 1HB PRO 24 2HB PRO 24 -14.428 26.835 18.196 126 2HB PRO 24 3HB PRO 24 -13.253 27.898 17.446 127 1HG PRO 24 2HG PRO 24 -15.624 26.610 16.238 128 2HG PRO 24 3HG PRO 24 -14.701 27.979 15.652 129 1HD PRO 24 2HD PRO 24 -14.588 25.286 14.671 130 2HD PRO 24 3HD PRO 24 -13.583 26.629 14.165 131 H TYR 25 HN TYR 25 -12.877 25.548 19.765 132 HA TYR 25 HA TYR 25 -13.093 22.711 19.830 133 1HB TYR 25 2HB TYR 25 -13.251 25.106 21.728 134 2HB TYR 25 3HB TYR 25 -13.661 23.517 22.343 135 HD1 TYR 25 HD1 TYR 25 -11.873 23.340 23.930 136 HD2 TYR 25 HD2 TYR 25 -11.020 24.115 19.810 137 HE1 TYR 25 HE1 TYR 25 -9.409 22.867 24.344 138 HE2 TYR 25 HE2 TYR 25 -8.559 23.640 20.237 139 HH TYR 25 HH TYR 25 -7.119 23.813 22.847 140 H GLU 26 HN GLU 26 -15.338 25.034 18.958 141 HA GLU 26 HA GLU 26 -17.520 23.806 20.385 142 1HB GLU 26 2HB GLU 26 -17.049 26.349 18.960 143 2HB GLU 26 3HB GLU 26 -18.617 25.654 18.604 144 1HG GLU 26 2HG GLU 26 -19.307 25.704 20.878 145 2HG GLU 26 3HG GLU 26 -17.663 25.797 21.478 146 H ALA 27 HN ALA 27 -15.732 23.269 17.553 147 HA ALA 27 HA ALA 27 -18.049 22.003 16.256 148 1HB ALA 27 1HB ALA 27 -17.218 22.632 14.205 149 2HB ALA 27 2HB ALA 27 -16.563 23.967 15.185 150 3HB ALA 27 3HB ALA 27 -15.525 22.587 14.754 151 H THR 28 HN THR 28 -18.006 19.949 17.150 152 HA THR 28 HA THR 28 -15.435 18.590 17.332 153 HB THR 28 HB THR 28 -17.034 16.832 18.417 154 HG1 THR 28 HG1 THR 28 -19.160 17.551 18.549 155 1HG2 THR 28 1HG2 THR 28 -17.672 18.836 20.248 156 2HG2 THR 28 2HG2 THR 28 -16.144 17.922 20.240 157 3HG2 THR 28 3HG2 THR 28 -16.237 19.508 19.436 158 H GLU 29 HN GLU 29 -15.597 16.115 16.716 159 HA GLU 29 HA GLU 29 -15.684 16.071 13.971 160 1HB GLU 29 2HB GLU 29 -15.464 14.032 16.154 161 2HB GLU 29 3HB GLU 29 -15.893 13.424 14.567 162 1HG GLU 29 2HG GLU 29 -13.902 14.686 13.612 163 2HG GLU 29 3HG GLU 29 -13.447 15.123 15.247 164 H GLU 30 HN GLU 30 -18.205 15.496 16.401 165 HA GLU 30 HA GLU 30 -19.951 14.078 14.774 166 1HB GLU 30 2HB GLU 30 -19.916 14.718 17.398 167 2HB GLU 30 3HB GLU 30 -21.039 15.949 16.857 168 1HG GLU 30 2HG GLU 30 -22.392 14.125 15.711 169 2HG GLU 30 3HG GLU 30 -21.318 12.939 16.424 170 H GLN 31 HN GLN 31 -19.225 17.548 15.121 171 HA GLN 31 HA GLN 31 -21.518 18.256 13.547 172 1HB GLN 31 2HB GLN 31 -19.264 19.867 14.808 173 2HB GLN 31 3HB GLN 31 -20.486 20.604 13.790 174 1HG GLN 31 2HG GLN 31 -22.003 19.054 15.567 175 2HG GLN 31 3HG GLN 31 -20.697 19.644 16.577 176 1HE2 GLN 31 1HE2 GLN 31 -20.495 21.787 17.042 177 2HE2 GLN 31 2HE2 GLN 31 -21.691 22.984 16.670 178 H LEU 32 HN LEU 32 -17.916 18.183 13.268 179 HA LEU 32 HA LEU 32 -17.757 19.322 10.737 180 1HB LEU 32 2HB LEU 32 -16.011 17.538 12.387 181 2HB LEU 32 3HB LEU 32 -15.588 17.845 10.715 182 HG LEU 32 HG LEU 32 -15.537 20.271 11.164 183 1HD1 LEU 32 1HD1 LEU 32 -17.211 20.181 13.043 184 2HD1 LEU 32 2HD1 LEU 32 -15.896 19.595 14.090 185 3HD1 LEU 32 3HD1 LEU 32 -15.783 21.203 13.336 186 1HD2 LEU 32 1HD2 LEU 32 -13.580 20.092 12.933 187 2HD2 LEU 32 2HD2 LEU 32 -13.779 18.349 12.629 188 3HD2 LEU 32 3HD2 LEU 32 -13.407 19.451 11.281 189 H LYS 33 HN LYS 33 -18.046 15.862 11.770 190 HA LYS 33 HA LYS 33 -17.952 14.782 9.216 191 1HB LYS 33 2HB LYS 33 -17.832 13.669 11.553 192 2HB LYS 33 3HB LYS 33 -19.582 13.614 11.469 193 1HG LYS 33 2HG LYS 33 -19.596 12.113 9.666 194 2HG LYS 33 3HG LYS 33 -18.032 12.636 9.073 195 1HD LYS 33 2HD LYS 33 -16.998 10.977 10.219 196 2HD LYS 33 3HD LYS 33 -17.661 11.565 11.731 197 1HE LYS 33 2HE LYS 33 -19.889 10.362 10.869 198 2HE LYS 33 3HE LYS 33 -18.771 9.456 9.869 199 1HZ LYS 33 1HZ LYS 33 -17.550 9.334 12.200 200 2HZ LYS 33 2HZ LYS 33 -19.095 9.414 12.722 201 3HZ LYS 33 3HZ LYS 33 -18.637 8.220 11.707 202 H ASP 34 HN ASP 34 -20.629 16.251 11.090 203 HA ASP 34 HA ASP 34 -22.653 15.393 9.396 204 1HB ASP 34 2HB ASP 34 -22.468 16.837 11.762 205 2HB ASP 34 3HB ASP 34 -22.983 18.078 10.638 206 H ILE 35 HN ILE 35 -20.416 18.207 9.437 207 HA ILE 35 HA ILE 35 -21.750 19.678 7.428 208 HB ILE 35 HB ILE 35 -18.894 19.776 8.406 209 1HG1 ILE 35 2HG1 ILE 35 -20.927 21.801 9.200 210 2HG1 ILE 35 3HG1 ILE 35 -21.072 20.214 9.928 211 1HG2 ILE 35 1HG2 ILE 35 -19.375 20.799 6.126 212 2HG2 ILE 35 2HG2 ILE 35 -20.398 21.975 6.985 213 3HG2 ILE 35 3HG2 ILE 35 -18.660 21.870 7.355 214 1HD1 ILE 35 1HD1 ILE 35 -19.299 20.597 11.286 215 2HD1 ILE 35 2HD1 ILE 35 -18.275 21.059 9.906 216 3HD1 ILE 35 3HD1 ILE 35 -19.301 22.277 10.700 217 H PHE 36 HN PHE 36 -18.954 17.379 7.425 218 HA PHE 36 HA PHE 36 -18.535 17.601 4.647 219 1HB PHE 36 2HB PHE 36 -17.787 15.798 6.971 220 2HB PHE 36 3HB PHE 36 -17.497 15.164 5.364 221 HD1 PHE 36 HD1 PHE 36 -16.535 17.731 7.792 222 HD2 PHE 36 HD2 PHE 36 -15.784 16.114 3.941 223 HE1 PHE 36 HE1 PHE 36 -14.368 18.993 7.684 224 HE2 PHE 36 HE2 PHE 36 -13.617 17.376 3.834 225 HZ PHE 36 HZ PHE 36 -12.935 18.800 5.707 226 H SER 37 HN SER 37 -20.722 15.680 6.680 227 HA SER 37 HA SER 37 -21.201 13.641 4.868 228 1HB SER 37 2HB SER 37 -23.147 13.138 6.227 229 2HB SER 37 3HB SER 37 -21.857 13.654 7.294 230 HG SER 37 HG SER 37 -23.982 14.637 7.748 231 H GLU 38 HN GLU 38 -22.444 16.971 5.176 232 HA GLU 38 HA GLU 38 -24.662 16.637 3.525 233 1HB GLU 38 2HB GLU 38 -23.165 19.257 3.709 234 2HB GLU 38 3HB GLU 38 -24.895 18.981 3.656 235 1HG GLU 38 2HG GLU 38 -24.252 17.624 5.963 236 2HG GLU 38 3HG GLU 38 -23.027 18.876 5.985 237 H VAL 39 HN VAL 39 -21.316 16.492 2.846 238 HA VAL 39 HA VAL 39 -21.737 17.350 0.075 239 HB VAL 39 HB VAL 39 -19.113 16.740 1.428 240 1HG1 VAL 39 1HG1 VAL 39 -19.198 18.852 -0.590 241 2HG1 VAL 39 2HG1 VAL 39 -18.159 17.411 -0.485 242 3HG1 VAL 39 3HG1 VAL 39 -19.777 17.290 -1.217 243 1HG2 VAL 39 1HG2 VAL 39 -19.448 19.545 1.269 244 2HG2 VAL 39 2HG2 VAL 39 -20.922 18.902 2.034 245 3HG2 VAL 39 3HG2 VAL 39 -19.325 18.537 2.731 246 H GLY 40 HN GLY 40 -22.281 14.678 1.814 247 1HA GLY 40 1HA GLY 40 -22.716 12.761 0.249 248 2HA GLY 40 2HA GLY 40 -21.008 12.854 -0.133 249 HA PRO 41 HA PRO 41 -21.477 10.079 3.455 250 1HB PRO 41 2HB PRO 41 -20.427 7.813 2.344 251 2HB PRO 41 3HB PRO 41 -22.147 8.143 2.402 252 1HG PRO 41 2HG PRO 41 -20.305 8.310 0.097 253 2HG PRO 41 3HG PRO 41 -22.055 8.217 0.099 254 1HD PRO 41 2HD PRO 41 -20.461 10.558 -0.360 255 2HD PRO 41 3HD PRO 41 -22.208 10.486 -0.243 256 H VAL 42 HN VAL 42 -20.082 10.514 5.030 257 HA VAL 42 HA VAL 42 -17.320 10.841 4.176 258 HB VAL 42 HB VAL 42 -18.484 12.576 5.504 259 1HG1 VAL 42 1HG1 VAL 42 -19.407 12.244 7.561 260 2HG1 VAL 42 2HG1 VAL 42 -19.621 10.597 6.922 261 3HG1 VAL 42 3HG1 VAL 42 -18.252 10.963 7.999 262 1HG2 VAL 42 1HG2 VAL 42 -15.961 12.111 5.546 263 2HG2 VAL 42 2HG2 VAL 42 -16.632 13.099 6.866 264 3HG2 VAL 42 3HG2 VAL 42 -16.242 11.385 7.147 265 H VAL 43 HN VAL 43 -15.848 9.241 4.404 266 HA VAL 43 HA VAL 43 -16.591 6.773 5.534 267 HB VAL 43 HB VAL 43 -14.164 8.008 4.334 268 1HG1 VAL 43 1HG1 VAL 43 -14.103 5.824 6.347 269 2HG1 VAL 43 2HG1 VAL 43 -13.172 5.548 4.856 270 3HG1 VAL 43 3HG1 VAL 43 -12.838 6.978 5.861 271 1HG2 VAL 43 1HG2 VAL 43 -15.036 5.244 3.693 272 2HG2 VAL 43 2HG2 VAL 43 -16.204 6.536 3.325 273 3HG2 VAL 43 3HG2 VAL 43 -14.571 6.584 2.617 274 H SER 44 HN SER 44 -13.657 8.632 6.524 275 HA SER 44 HA SER 44 -14.584 8.349 9.267 276 1HB SER 44 2HB SER 44 -12.471 6.864 8.105 277 2HB SER 44 3HB SER 44 -11.676 8.105 9.053 278 HG SER 44 HG SER 44 -12.032 6.693 10.648 279 H PHE 45 HN PHE 45 -13.128 9.787 10.787 280 HA PHE 45 HA PHE 45 -11.798 11.964 9.502 281 1HB PHE 45 2HB PHE 45 -14.436 12.296 9.443 282 2HB PHE 45 3HB PHE 45 -14.302 12.530 11.175 283 HD1 PHE 45 HD1 PHE 45 -15.411 14.603 9.414 284 HD2 PHE 45 HD2 PHE 45 -11.392 13.873 10.562 285 HE1 PHE 45 HE1 PHE 45 -14.866 17.025 9.044 286 HE2 PHE 45 HE2 PHE 45 -10.847 16.295 10.193 287 HZ PHE 45 HZ PHE 45 -12.590 17.842 9.439 288 H ARG 46 HN ARG 46 -10.051 12.193 10.812 289 HA ARG 46 HA ARG 46 -10.606 12.221 13.662 290 1HB ARG 46 2HB ARG 46 -8.358 10.744 12.217 291 2HB ARG 46 3HB ARG 46 -8.280 11.103 13.930 292 1HG ARG 46 2HG ARG 46 -10.864 9.981 13.508 293 2HG ARG 46 3HG ARG 46 -9.767 8.995 12.562 294 1HD ARG 46 2HD ARG 46 -8.321 8.640 14.551 295 2HD ARG 46 3HD ARG 46 -9.342 9.696 15.508 296 HE ARG 46 HE ARG 46 -11.042 7.713 14.415 297 1HH1 ARG 46 2HH2 ARG 46 -8.313 7.879 16.630 298 2HH1 ARG 46 1HH2 ARG 46 -8.798 6.483 17.534 299 1HH2 ARG 46 2HH1 ARG 46 -11.683 5.872 15.608 300 2HH2 ARG 46 1HH1 ARG 46 -10.728 5.334 16.949 301 H LEU 47 HN LEU 47 -9.336 13.745 14.867 302 HA LEU 47 HA LEU 47 -7.638 15.459 13.190 303 1HB LEU 47 2HB LEU 47 -9.002 16.493 15.633 304 2HB LEU 47 3HB LEU 47 -8.461 17.347 14.201 305 HG LEU 47 HG LEU 47 -10.513 15.497 13.428 306 1HD1 LEU 47 1HD1 LEU 47 -12.371 16.727 14.752 307 2HD1 LEU 47 2HD1 LEU 47 -11.490 15.390 15.529 308 3HD1 LEU 47 3HD1 LEU 47 -11.078 17.076 15.924 309 1HD2 LEU 47 1HD2 LEU 47 -11.626 17.957 13.152 310 2HD2 LEU 47 2HD2 LEU 47 -9.899 18.380 13.248 311 3HD2 LEU 47 3HD2 LEU 47 -10.468 17.238 12.006 312 H VAL 48 HN VAL 48 -6.159 16.863 14.831 313 HA VAL 48 HA VAL 48 -4.657 14.832 16.252 314 HB VAL 48 HB VAL 48 -3.047 16.804 16.483 315 1HG1 VAL 48 1HG1 VAL 48 -3.826 15.424 13.932 316 2HG1 VAL 48 2HG1 VAL 48 -2.548 16.662 13.902 317 3HG1 VAL 48 3HG1 VAL 48 -2.370 15.226 14.938 318 1HG2 VAL 48 1HG2 VAL 48 -5.181 18.315 15.684 319 2HG2 VAL 48 2HG2 VAL 48 -3.478 18.819 15.565 320 3HG2 VAL 48 3HG2 VAL 48 -4.298 18.115 14.151 321 H TYR 49 HN TYR 49 -4.854 14.490 18.401 322 HA TYR 49 HA TYR 49 -5.907 16.724 20.002 323 1HB TYR 49 2HB TYR 49 -6.640 13.838 19.607 324 2HB TYR 49 3HB TYR 49 -6.516 14.293 21.294 325 HD1 TYR 49 HD1 TYR 49 -8.186 15.660 22.345 326 HD2 TYR 49 HD2 TYR 49 -8.300 14.993 18.120 327 HE1 TYR 49 HE1 TYR 49 -10.531 16.636 22.247 328 HE2 TYR 49 HE2 TYR 49 -10.645 15.971 18.036 329 HH TYR 49 HH TYR 49 -12.501 16.441 20.792 330 H ASP 50 HN ASP 50 -4.458 17.431 21.480 331 HA ASP 50 HA ASP 50 -2.115 15.948 21.951 332 1HB ASP 50 2HB ASP 50 -3.285 18.563 22.770 333 2HB ASP 50 3HB ASP 50 -2.195 17.866 23.953 334 H ARG 51 HN ARG 51 -2.203 14.097 23.248 335 HA ARG 51 HA ARG 51 -4.242 13.780 25.153 336 1HB ARG 51 2HB ARG 51 -1.716 12.207 24.483 337 2HB ARG 51 3HB ARG 51 -2.780 11.709 25.783 338 1HG ARG 51 2HG ARG 51 -4.687 11.550 24.204 339 2HG ARG 51 3HG ARG 51 -3.681 12.137 22.895 340 1HD ARG 51 2HD ARG 51 -2.626 10.108 22.613 341 2HD ARG 51 3HD ARG 51 -2.542 9.792 24.334 342 HE ARG 51 HE ARG 51 -4.627 8.905 22.519 343 1HH1 ARG 51 2HH2 ARG 51 -4.027 9.861 25.852 344 2HH1 ARG 51 1HH2 ARG 51 -5.358 8.951 26.487 345 1HH2 ARG 51 2HH1 ARG 51 -6.383 7.706 23.356 346 2HH2 ARG 51 1HH1 ARG 51 -6.707 7.717 25.058 347 H GLU 52 HN GLU 52 -0.933 15.027 25.162 348 HA GLU 52 HA GLU 52 -0.454 14.654 27.898 349 1HB GLU 52 2HB GLU 52 1.019 15.489 25.682 350 2HB GLU 52 3HB GLU 52 0.914 16.952 26.641 351 1HG GLU 52 2HG GLU 52 1.459 14.844 28.489 352 2HG GLU 52 3HG GLU 52 2.514 14.564 27.118 353 H THR 53 HN THR 53 -2.185 17.077 25.980 354 HA THR 53 HA THR 53 -2.552 18.682 28.423 355 HB THR 53 HB THR 53 -1.498 19.499 26.031 356 HG1 THR 53 HG1 THR 53 -1.746 21.373 27.207 357 1HG2 THR 53 1HG2 THR 53 -3.526 19.162 24.684 358 2HG2 THR 53 2HG2 THR 53 -4.525 19.956 25.925 359 3HG2 THR 53 3HG2 THR 53 -3.349 20.907 24.987 360 H GLY 54 HN GLY 54 -3.987 16.317 26.505 361 1HA GLY 54 1HA GLY 54 -6.089 15.541 26.353 362 2HA GLY 54 2HA GLY 54 -6.434 16.424 27.827 363 H LYS 55 HN LYS 55 -5.211 18.351 25.174 364 HA LYS 55 HA LYS 55 -7.960 19.208 24.587 365 1HB LYS 55 2HB LYS 55 -5.506 20.983 24.677 366 2HB LYS 55 3HB LYS 55 -7.161 21.484 24.397 367 1HG LYS 55 2HG LYS 55 -7.718 21.366 26.624 368 2HG LYS 55 3HG LYS 55 -6.798 19.898 26.885 369 1HD LYS 55 2HD LYS 55 -5.192 21.138 27.893 370 2HD LYS 55 3HD LYS 55 -4.847 21.884 26.345 371 1HE LYS 55 2HE LYS 55 -7.224 22.952 27.840 372 2HE LYS 55 3HE LYS 55 -5.650 23.303 28.526 373 1HZ LYS 55 1HZ LYS 55 -6.125 25.001 27.020 374 2HZ LYS 55 2HZ LYS 55 -5.027 24.070 26.249 375 3HZ LYS 55 3HZ LYS 55 -6.605 23.979 25.839 376 HA PRO 56 HA PRO 56 -6.931 18.348 20.482 377 1HB PRO 56 2HB PRO 56 -8.881 19.745 19.174 378 2HB PRO 56 3HB PRO 56 -9.150 18.170 19.893 379 1HG PRO 56 2HG PRO 56 -10.011 20.825 20.868 380 2HG PRO 56 3HG PRO 56 -10.613 19.242 21.319 381 1HD PRO 56 2HD PRO 56 -8.846 20.906 22.848 382 2HD PRO 56 3HD PRO 56 -9.355 19.276 23.243 383 H LYS 57 HN LYS 57 -5.537 18.953 18.899 384 HA LYS 57 HA LYS 57 -4.121 21.279 19.301 385 1HB LYS 57 2HB LYS 57 -4.185 19.100 17.407 386 2HB LYS 57 3HB LYS 57 -3.918 20.609 16.558 387 1HG LYS 57 2HG LYS 57 -2.344 19.769 19.037 388 2HG LYS 57 3HG LYS 57 -1.801 19.466 17.398 389 1HD LYS 57 2HD LYS 57 -0.958 21.564 17.266 390 2HD LYS 57 3HD LYS 57 -2.551 22.240 17.543 391 1HE LYS 57 2HE LYS 57 -1.683 23.058 19.489 392 2HE LYS 57 3HE LYS 57 -1.851 21.426 20.102 393 1HZ LYS 57 1HZ LYS 57 0.346 21.879 20.440 394 2HZ LYS 57 2HZ LYS 57 0.427 21.103 19.005 395 3HZ LYS 57 3HZ LYS 57 0.532 22.731 19.059 396 H GLY 58 HN GLY 58 -6.655 20.627 16.775 397 1HA GLY 58 1HA GLY 58 -8.308 22.613 16.873 398 2HA GLY 58 2HA GLY 58 -6.896 23.532 16.392 399 H TYR 59 HN TYR 59 -5.917 20.940 14.910 400 HA TYR 59 HA TYR 59 -7.705 21.246 12.591 401 1HB TYR 59 2HB TYR 59 -5.503 20.910 11.308 402 2HB TYR 59 3HB TYR 59 -5.530 22.388 12.249 403 HD1 TYR 59 HD1 TYR 59 -4.266 22.517 14.410 404 HD2 TYR 59 HD2 TYR 59 -3.945 19.147 11.794 405 HE1 TYR 59 HE1 TYR 59 -2.127 21.801 15.583 406 HE2 TYR 59 HE2 TYR 59 -1.808 18.442 12.976 407 HH TYR 59 HH TYR 59 0.038 20.189 14.552 408 H GLY 60 HN GLY 60 -7.785 19.369 11.129 409 1HA GLY 60 1HA GLY 60 -6.684 16.869 12.099 410 2HA GLY 60 2HA GLY 60 -8.425 17.011 12.237 411 H PHE 61 HN PHE 61 -8.009 15.042 10.653 412 HA PHE 61 HA PHE 61 -8.217 16.152 7.950 413 1HB PHE 61 2HB PHE 61 -6.743 13.650 8.971 414 2HB PHE 61 3HB PHE 61 -6.982 13.992 7.269 415 HD1 PHE 61 HD1 PHE 61 -5.539 15.462 6.111 416 HD2 PHE 61 HD2 PHE 61 -5.336 15.230 10.343 417 HE1 PHE 61 HE1 PHE 61 -3.417 16.803 6.082 418 HE2 PHE 61 HE2 PHE 61 -3.214 16.571 10.314 419 HZ PHE 61 HZ PHE 61 -2.280 17.341 8.184 420 H CYS 62 HN CYS 62 -9.808 15.221 6.643 421 HA CYS 62 HA CYS 62 -11.371 13.121 7.962 422 1HB CYS 62 2HB CYS 62 -12.688 15.118 7.963 423 2HB CYS 62 3HB CYS 62 -12.300 15.470 6.291 424 HG CYS 62 HG CYS 62 -14.424 13.480 7.670 425 H GLU 63 HN GLU 63 -11.388 11.200 6.838 426 HA GLU 63 HA GLU 63 -10.406 11.311 4.110 427 1HB GLU 63 2HB GLU 63 -9.104 9.767 5.313 428 2HB GLU 63 3HB GLU 63 -10.462 9.190 6.258 429 1HG GLU 63 2HG GLU 63 -11.143 7.695 4.634 430 2HG GLU 63 3HG GLU 63 -10.710 8.762 3.313 431 H TYR 64 HN TYR 64 -11.759 10.964 2.390 432 HA TYR 64 HA TYR 64 -14.511 10.237 3.016 433 1HB TYR 64 2HB TYR 64 -12.887 11.680 0.928 434 2HB TYR 64 3HB TYR 64 -14.241 10.777 0.277 435 HD1 TYR 64 HD1 TYR 64 -16.561 11.187 1.515 436 HD2 TYR 64 HD2 TYR 64 -13.234 13.874 1.626 437 HE1 TYR 64 HE1 TYR 64 -18.120 13.103 2.116 438 HE2 TYR 64 HE2 TYR 64 -14.804 15.781 2.226 439 HH TYR 64 HH TYR 64 -17.861 15.313 3.348 440 H GLN 65 HN GLN 65 -15.324 9.188 0.546 441 HA GLN 65 HA GLN 65 -13.833 6.680 0.553 442 1HB GLN 65 2HB GLN 65 -16.460 7.009 1.221 443 2HB GLN 65 3HB GLN 65 -16.631 6.737 -0.501 444 1HG GLN 65 2HG GLN 65 -14.712 4.854 0.688 445 2HG GLN 65 3HG GLN 65 -16.267 4.766 1.491 446 1HE2 GLN 65 1HE2 GLN 65 -14.580 3.263 -0.697 447 2HE2 GLN 65 2HE2 GLN 65 -15.765 2.791 -1.868 448 H ASP 66 HN ASP 66 -14.701 9.480 -1.249 449 HA ASP 66 HA ASP 66 -13.674 8.183 -3.626 450 1HB ASP 66 2HB ASP 66 -15.767 10.220 -4.154 451 2HB ASP 66 3HB ASP 66 -15.480 8.689 -4.956 452 H GLN 67 HN GLN 67 -12.200 9.560 -4.717 453 HA GLN 67 HA GLN 67 -11.248 11.773 -3.402 454 1HB GLN 67 2HB GLN 67 -9.888 10.524 -4.994 455 2HB GLN 67 3HB GLN 67 -10.974 10.915 -6.313 456 1HG GLN 67 2HG GLN 67 -10.442 13.427 -5.675 457 2HG GLN 67 3HG GLN 67 -9.058 12.749 -4.840 458 1HE2 GLN 67 1HE2 GLN 67 -7.420 13.360 -6.084 459 2HE2 GLN 67 2HE2 GLN 67 -7.200 12.957 -7.754 460 H GLU 68 HN GLU 68 -13.706 11.449 -5.992 461 HA GLU 68 HA GLU 68 -13.832 14.130 -6.663 462 1HB GLU 68 2HB GLU 68 -14.837 12.436 -8.081 463 2HB GLU 68 3HB GLU 68 -15.902 11.901 -6.796 464 1HG GLU 68 2HG GLU 68 -17.257 13.846 -6.924 465 2HG GLU 68 3HG GLU 68 -16.007 14.788 -7.712 466 H THR 69 HN THR 69 -15.396 12.212 -4.065 467 HA THR 69 HA THR 69 -17.191 14.260 -3.269 468 HB THR 69 HB THR 69 -16.131 12.046 -1.476 469 HG1 THR 69 HG1 THR 69 -17.719 10.736 -2.804 470 1HG2 THR 69 1HG2 THR 69 -18.512 11.829 -0.891 471 2HG2 THR 69 2HG2 THR 69 -18.049 13.540 -0.726 472 3HG2 THR 69 3HG2 THR 69 -18.962 12.999 -2.155 473 H ALA 70 HN ALA 70 -13.856 13.335 -2.299 474 HA ALA 70 HA ALA 70 -13.759 15.148 -0.136 475 1HB ALA 70 1HB ALA 70 -11.534 14.452 0.055 476 2HB ALA 70 2HB ALA 70 -12.295 13.060 -0.752 477 3HB ALA 70 3HB ALA 70 -11.346 14.230 -1.701 478 H LEU 71 HN LEU 71 -12.987 15.333 -3.641 479 HA LEU 71 HA LEU 71 -11.765 17.879 -3.462 480 1HB LEU 71 2HB LEU 71 -12.560 15.963 -5.545 481 2HB LEU 71 3HB LEU 71 -12.630 17.641 -6.047 482 HG LEU 71 HG LEU 71 -10.192 16.297 -4.847 483 1HD1 LEU 71 1HD1 LEU 71 -10.016 15.321 -6.852 484 2HD1 LEU 71 2HD1 LEU 71 -11.233 16.390 -7.591 485 3HD1 LEU 71 3HD1 LEU 71 -9.546 16.936 -7.434 486 1HD2 LEU 71 1HD2 LEU 71 -9.623 18.671 -6.354 487 2HD2 LEU 71 2HD2 LEU 71 -10.843 19.036 -5.110 488 3HD2 LEU 71 3HD2 LEU 71 -9.287 18.309 -4.643 489 H SER 72 HN SER 72 -15.092 16.709 -4.253 490 HA SER 72 HA SER 72 -16.096 19.211 -4.870 491 1HB SER 72 2HB SER 72 -17.153 16.930 -5.315 492 2HB SER 72 3HB SER 72 -17.636 16.891 -3.631 493 HG SER 72 HG SER 72 -18.374 18.964 -5.518 494 H ALA 73 HN ALA 73 -15.710 17.433 -1.775 495 HA ALA 73 HA ALA 73 -17.274 19.185 -0.222 496 1HB ALA 73 1HB ALA 73 -14.922 17.576 0.796 497 2HB ALA 73 2HB ALA 73 -16.470 17.930 1.601 498 3HB ALA 73 3HB ALA 73 -16.414 16.775 0.248 499 H MET 74 HN MET 74 -13.835 19.118 -1.245 500 HA MET 74 HA MET 74 -12.963 21.085 0.502 501 1HB MET 74 2HB MET 74 -12.034 19.685 -1.943 502 2HB MET 74 3HB MET 74 -11.430 21.328 -1.866 503 1HG MET 74 2HG MET 74 -10.418 20.940 0.322 504 2HG MET 74 3HG MET 74 -11.216 19.388 0.482 505 1HE MET 74 1HE MET 74 -9.836 20.426 -3.111 506 2HE MET 74 2HE MET 74 -9.079 21.491 -1.902 507 3HE MET 74 3HE MET 74 -8.093 20.297 -2.779 508 H ARG 75 HN ARG 75 -14.253 21.267 -2.876 509 HA ARG 75 HA ARG 75 -13.914 24.071 -2.949 510 1HB ARG 75 2HB ARG 75 -14.369 22.038 -4.830 511 2HB ARG 75 3HB ARG 75 -15.881 22.923 -4.846 512 1HG ARG 75 2HG ARG 75 -14.439 25.075 -5.046 513 2HG ARG 75 3HG ARG 75 -13.087 24.012 -5.383 514 1HD ARG 75 2HD ARG 75 -14.260 23.061 -7.338 515 2HD ARG 75 3HD ARG 75 -15.704 23.979 -6.962 516 HE ARG 75 HE ARG 75 -13.468 25.775 -7.208 517 1HH1 ARG 75 2HH2 ARG 75 -15.602 23.772 -9.162 518 2HH1 ARG 75 1HH2 ARG 75 -15.431 24.750 -10.581 519 1HH2 ARG 75 2HH1 ARG 75 -13.242 27.066 -9.080 520 2HH2 ARG 75 1HH1 ARG 75 -14.079 26.636 -10.534 521 H ASN 76 HN ASN 76 -16.384 21.804 -1.866 522 HA ASN 76 HA ASN 76 -18.543 23.601 -2.087 523 1HB ASN 76 2HB ASN 76 -18.031 20.896 -0.893 524 2HB ASN 76 3HB ASN 76 -19.340 21.800 -0.157 525 1HD2 ASN 76 1HD2 ASN 76 -18.714 19.539 -2.347 526 2HD2 ASN 76 2HD2 ASN 76 -19.982 19.777 -3.503 527 H LEU 77 HN LEU 77 -16.097 22.691 0.374 528 HA LEU 77 HA LEU 77 -17.337 24.555 2.266 529 1HB LEU 77 2HB LEU 77 -15.467 22.219 2.614 530 2HB LEU 77 3HB LEU 77 -15.722 23.408 3.876 531 HG LEU 77 HG LEU 77 -18.169 22.871 3.823 532 1HD1 LEU 77 1HD1 LEU 77 -17.286 20.633 1.980 533 2HD1 LEU 77 2HD1 LEU 77 -18.889 20.780 2.740 534 3HD1 LEU 77 3HD1 LEU 77 -18.347 22.001 1.564 535 1HD2 LEU 77 1HD2 LEU 77 -15.998 21.344 4.906 536 2HD2 LEU 77 2HD2 LEU 77 -17.616 21.645 5.584 537 3HD2 LEU 77 3HD2 LEU 77 -17.346 20.252 4.510 538 H ASN 78 HN ASN 78 -13.918 23.530 2.225 539 HA ASN 78 HA ASN 78 -12.120 24.773 2.391 540 1HB ASN 78 2HB ASN 78 -11.907 24.645 0.054 541 2HB ASN 78 3HB ASN 78 -13.412 25.494 -0.238 542 1HD2 ASN 78 1HD2 ASN 78 -12.965 27.220 -1.380 543 2HD2 ASN 78 2HD2 ASN 78 -11.745 28.404 -1.051 544 H GLY 79 HN GLY 79 -12.525 26.084 4.294 545 1HA GLY 79 1HA GLY 79 -12.639 28.042 5.403 546 2HA GLY 79 2HA GLY 79 -12.626 28.888 3.868 547 H ARG 80 HN ARG 80 -15.018 26.377 4.829 548 HA ARG 80 HA ARG 80 -17.091 28.229 4.234 549 1HB ARG 80 2HB ARG 80 -16.884 25.532 3.943 550 2HB ARG 80 3HB ARG 80 -17.687 25.561 5.501 551 1HG ARG 80 2HG ARG 80 -18.752 27.259 3.223 552 2HG ARG 80 3HG ARG 80 -19.133 25.550 3.287 553 1HD ARG 80 2HD ARG 80 -19.586 26.501 5.928 554 2HD ARG 80 3HD ARG 80 -20.240 27.744 4.880 555 HE ARG 80 HE ARG 80 -21.449 25.227 5.369 556 1HH1 ARG 80 2HH2 ARG 80 -20.630 27.247 2.607 557 2HH1 ARG 80 1HH2 ARG 80 -21.921 26.644 1.621 558 1HH2 ARG 80 2HH1 ARG 80 -23.152 24.431 4.070 559 2HH2 ARG 80 1HH1 ARG 80 -23.365 25.032 2.459 560 H GLU 81 HN GLU 81 -18.072 29.561 5.728 561 HA GLU 81 HA GLU 81 -17.255 29.692 8.326 562 1HB GLU 81 2HB GLU 81 -19.971 30.566 7.249 563 2HB GLU 81 3HB GLU 81 -19.170 31.200 8.672 564 1HG GLU 81 2HG GLU 81 -17.806 32.564 7.445 565 2HG GLU 81 3HG GLU 81 -17.444 31.308 6.278 566 H PHE 82 HN PHE 82 -18.045 28.919 10.331 567 HA PHE 82 HA PHE 82 -20.457 27.577 10.646 568 1HB PHE 82 2HB PHE 82 -19.232 25.927 9.132 569 2HB PHE 82 3HB PHE 82 -17.932 25.849 10.304 570 HD1 PHE 82 HD1 PHE 82 -21.199 24.628 9.397 571 HD2 PHE 82 HD2 PHE 82 -18.376 24.843 12.558 572 HE1 PHE 82 HE1 PHE 82 -22.374 22.748 10.574 573 HE2 PHE 82 HE2 PHE 82 -19.551 22.963 13.735 574 HZ PHE 82 HZ PHE 82 -21.536 21.938 12.729 575 H SER 83 HN SER 83 -20.841 28.001 12.763 576 HA SER 83 HA SER 83 -20.565 27.927 14.938 577 1HB SER 83 2HB SER 83 -18.691 26.063 14.242 578 2HB SER 83 3HB SER 83 -17.648 27.269 14.969 579 HG SER 83 HG SER 83 -19.488 25.545 16.170 580 H GLY 84 HN GLY 84 -19.522 30.022 12.812 581 1HA GLY 84 1HA GLY 84 -19.136 32.265 13.197 582 2HA GLY 84 2HA GLY 84 -18.565 31.912 14.816 583 H ARG 85 HN ARG 85 -17.311 29.797 12.339 584 HA ARG 85 HA ARG 85 -15.040 31.502 11.891 585 1HB ARG 85 2HB ARG 85 -14.998 28.973 13.524 586 2HB ARG 85 3HB ARG 85 -13.661 29.212 12.418 587 1HG ARG 85 2HG ARG 85 -13.912 31.726 13.613 588 2HG ARG 85 3HG ARG 85 -14.299 30.640 14.932 589 1HD ARG 85 2HD ARG 85 -12.110 30.089 15.180 590 2HD ARG 85 3HD ARG 85 -12.016 29.559 13.512 591 HE ARG 85 HE ARG 85 -10.868 31.526 13.040 592 1HH1 ARG 85 2HH2 ARG 85 -12.944 32.101 15.822 593 2HH1 ARG 85 1HH2 ARG 85 -12.407 33.733 16.046 594 1HH2 ARG 85 2HH1 ARG 85 -10.159 33.678 13.335 595 2HH2 ARG 85 1HH1 ARG 85 -10.813 34.636 14.622 596 H ALA 86 HN ALA 86 -13.691 30.725 10.054 597 HA ALA 86 HA ALA 86 -15.306 29.331 8.133 598 1HB ALA 86 1HB ALA 86 -14.011 31.289 7.476 599 2HB ALA 86 2HB ALA 86 -12.506 30.524 8.040 600 3HB ALA 86 3HB ALA 86 -13.372 29.856 6.635 601 H LEU 87 HN LEU 87 -14.995 27.258 7.314 602 HA LEU 87 HA LEU 87 -13.211 25.602 8.919 603 1HB LEU 87 2HB LEU 87 -15.737 25.200 7.426 604 2HB LEU 87 3HB LEU 87 -14.605 23.863 7.402 605 HG LEU 87 HG LEU 87 -15.964 25.118 9.787 606 1HD1 LEU 87 1HD1 LEU 87 -16.675 22.775 10.195 607 2HD1 LEU 87 2HD1 LEU 87 -17.267 23.439 8.653 608 3HD1 LEU 87 3HD1 LEU 87 -15.895 22.304 8.666 609 1HD2 LEU 87 1HD2 LEU 87 -13.465 23.450 9.714 610 2HD2 LEU 87 2HD2 LEU 87 -13.841 24.894 10.684 611 3HD2 LEU 87 3HD2 LEU 87 -14.595 23.332 11.084 612 H ARG 88 HN ARG 88 -11.199 26.252 7.976 613 HA ARG 88 HA ARG 88 -10.771 26.336 5.264 614 1HB ARG 88 2HB ARG 88 -9.243 26.652 7.641 615 2HB ARG 88 3HB ARG 88 -8.408 25.403 6.739 616 1HG ARG 88 2HG ARG 88 -8.620 26.984 4.679 617 2HG ARG 88 3HG ARG 88 -9.069 28.231 5.826 618 1HD ARG 88 2HD ARG 88 -6.716 26.882 6.841 619 2HD ARG 88 3HD ARG 88 -6.425 27.298 5.164 620 HE ARG 88 HE ARG 88 -6.547 29.598 5.709 621 1HH1 ARG 88 2HH2 ARG 88 -7.514 27.627 8.458 622 2HH1 ARG 88 1HH2 ARG 88 -7.474 28.945 9.581 623 1HH2 ARG 88 2HH1 ARG 88 -6.493 31.338 7.190 624 2HH2 ARG 88 1HH1 ARG 88 -6.889 31.070 8.855 625 H VAL 89 HN VAL 89 -10.774 24.704 3.748 626 HA VAL 89 HA VAL 89 -10.018 22.025 4.684 627 HB VAL 89 HB VAL 89 -12.231 22.779 2.765 628 1HG1 VAL 89 1HG1 VAL 89 -11.638 19.995 3.772 629 2HG1 VAL 89 2HG1 VAL 89 -12.635 20.500 2.386 630 3HG1 VAL 89 3HG1 VAL 89 -10.862 20.637 2.305 631 1HG2 VAL 89 1HG2 VAL 89 -12.216 22.592 5.598 632 2HG2 VAL 89 2HG2 VAL 89 -13.612 22.798 4.513 633 3HG2 VAL 89 3HG2 VAL 89 -13.083 21.164 4.983 634 H ASP 90 HN ASP 90 -8.289 21.214 3.616 635 HA ASP 90 HA ASP 90 -7.907 22.114 0.887 636 1HB ASP 90 2HB ASP 90 -5.334 21.768 2.178 637 2HB ASP 90 3HB ASP 90 -5.953 23.175 1.336 638 H ASN 91 HN ASN 91 -7.097 20.415 -0.452 639 HA ASN 91 HA ASN 91 -7.521 17.883 0.119 640 1HB ASN 91 2HB ASN 91 -6.221 19.273 -1.939 641 2HB ASN 91 3HB ASN 91 -4.966 18.189 -1.371 642 1HD2 ASN 91 1HD2 ASN 91 -5.066 16.058 -1.767 643 2HD2 ASN 91 2HD2 ASN 91 -6.309 15.265 -2.676 644 H ALA 92 HN ALA 92 -6.683 16.391 1.592 645 HA ALA 92 HA ALA 92 -4.588 17.103 3.321 646 1HB ALA 92 1HB ALA 92 -4.953 14.927 4.277 647 2HB ALA 92 2HB ALA 92 -6.541 15.539 3.758 648 3HB ALA 92 3HB ALA 92 -5.692 14.323 2.775 649 H ALA 93 HN ALA 93 -4.580 16.037 0.069 650 HA ALA 93 HA ALA 93 -2.050 14.634 0.318 651 1HB ALA 93 1HB ALA 93 -3.351 15.299 -2.306 652 2HB ALA 93 2HB ALA 93 -2.494 13.823 -1.802 653 3HB ALA 93 3HB ALA 93 -4.154 14.126 -1.235 654 H SER 94 HN SER 94 -2.465 17.596 0.972 655 HA SER 94 HA SER 94 -1.147 18.931 -1.163 656 1HB SER 94 2HB SER 94 -2.842 19.949 0.476 657 2HB SER 94 3HB SER 94 -1.571 19.933 1.682 658 HG SER 94 HG SER 94 -0.757 21.067 -0.744 659 H GLU 95 HN GLU 95 0.993 20.025 -0.930 660 HA GLU 95 HA GLU 95 2.884 18.243 0.099 661 1HB GLU 95 2HB GLU 95 2.895 20.881 -1.297 662 2HB GLU 95 3HB GLU 95 4.325 20.532 -0.347 663 1HG GLU 95 2HG GLU 95 3.189 18.484 -2.290 664 2HG GLU 95 3HG GLU 95 4.282 19.742 -2.835 665 H LYS 96 HN LYS 96 1.305 21.182 1.345 666 HA LYS 96 HA LYS 96 3.163 21.435 3.526 667 1HB LYS 96 2HB LYS 96 1.888 23.349 4.146 668 2HB LYS 96 3HB LYS 96 2.053 23.376 2.402 669 1HG LYS 96 2HG LYS 96 -0.243 22.170 2.316 670 2HG LYS 96 3HG LYS 96 -0.394 22.551 4.020 671 1HD LYS 96 2HD LYS 96 0.318 24.766 2.085 672 2HD LYS 96 3HD LYS 96 -1.344 24.216 2.166 673 1HE LYS 96 2HE LYS 96 -0.263 24.582 4.862 674 2HE LYS 96 3HE LYS 96 -0.056 26.045 3.920 675 1HZ LYS 96 1HZ LYS 96 -2.560 25.210 3.321 676 2HZ LYS 96 2HZ LYS 96 -2.437 24.898 4.920 677 3HZ LYS 96 3HZ LYS 96 -2.174 26.410 4.359 678 H ASN 97 HN ASN 97 -0.014 19.964 2.848 679 HA ASN 97 HA ASN 97 -0.651 19.558 5.549 680 1HB ASN 97 2HB ASN 97 -1.617 18.373 2.913 681 2HB ASN 97 3HB ASN 97 -2.209 17.730 4.432 682 1HD2 ASN 97 1HD2 ASN 97 -3.941 18.821 2.676 683 2HD2 ASN 97 2HD2 ASN 97 -4.574 20.326 3.252 684 H LYS 98 HN LYS 98 1.508 18.058 3.248 685 HA LYS 98 HA LYS 98 1.440 15.411 4.180 686 1HB LYS 98 2HB LYS 98 2.499 16.579 2.034 687 2HB LYS 98 3HB LYS 98 3.936 16.598 3.036 688 1HG LYS 98 2HG LYS 98 3.714 14.143 3.424 689 2HG LYS 98 3HG LYS 98 2.254 14.114 2.455 690 1HD LYS 98 2HD LYS 98 3.689 15.114 0.536 691 2HD LYS 98 3HD LYS 98 5.087 14.731 1.520 692 1HE LYS 98 2HE LYS 98 3.124 12.501 1.214 693 2HE LYS 98 3HE LYS 98 3.925 12.985 -0.268 694 1HZ LYS 98 1HZ LYS 98 5.441 12.495 2.187 695 2HZ LYS 98 2HZ LYS 98 5.068 11.285 1.156 696 3HZ LYS 98 3HZ LYS 98 5.992 12.533 0.650 697 H GLU 99 HN GLU 99 3.223 18.355 5.197 698 HA GLU 99 HA GLU 99 4.954 17.015 6.918 699 1HB GLU 99 2HB GLU 99 4.715 19.587 5.994 700 2HB GLU 99 3HB GLU 99 4.140 19.794 7.636 701 1HG GLU 99 2HG GLU 99 6.255 18.479 8.377 702 2HG GLU 99 3HG GLU 99 6.837 18.699 6.738 703 H GLU 100 HN GLU 100 1.652 18.364 7.295 704 HA GLU 100 HA GLU 100 1.628 18.060 10.092 705 1HB GLU 100 2HB GLU 100 -0.593 18.406 8.037 706 2HB GLU 100 3HB GLU 100 -0.894 18.354 9.762 707 1HG GLU 100 2HG GLU 100 -0.051 20.462 10.109 708 2HG GLU 100 3HG GLU 100 1.284 20.223 8.999 709 H LEU 101 HN LEU 101 0.517 16.073 7.296 710 HA LEU 101 HA LEU 101 -0.779 14.117 8.825 711 1HB LEU 101 2HB LEU 101 0.292 14.322 6.044 712 2HB LEU 101 3HB LEU 101 -0.173 12.747 6.654 713 HG LEU 101 HG LEU 101 -2.229 14.752 7.171 714 1HD1 LEU 101 1HD1 LEU 101 -2.859 14.644 4.601 715 2HD1 LEU 101 2HD1 LEU 101 -1.820 15.931 5.259 716 3HD1 LEU 101 3HD1 LEU 101 -1.092 14.542 4.417 717 1HD2 LEU 101 1HD2 LEU 101 -2.577 12.359 5.403 718 2HD2 LEU 101 2HD2 LEU 101 -2.242 12.127 7.136 719 3HD2 LEU 101 3HD2 LEU 101 -3.674 13.053 6.622 720 H LYS 102 HN LYS 102 2.627 14.703 7.973 721 HA LYS 102 HA LYS 102 3.699 12.228 8.413 722 1HB LYS 102 2HB LYS 102 5.017 14.038 7.554 723 2HB LYS 102 3HB LYS 102 4.782 14.992 9.004 724 1HG LYS 102 2HG LYS 102 5.928 13.076 10.300 725 2HG LYS 102 3HG LYS 102 6.359 12.395 8.744 726 1HD LYS 102 2HD LYS 102 8.192 13.734 8.771 727 2HD LYS 102 3HD LYS 102 7.116 15.091 8.502 728 1HE LYS 102 2HE LYS 102 7.890 15.890 10.494 729 2HE LYS 102 3HE LYS 102 6.841 14.700 11.239 730 1HZ LYS 102 1HZ LYS 102 9.176 13.423 10.469 731 2HZ LYS 102 2HZ LYS 102 9.609 14.783 11.263 732 3HZ LYS 102 3HZ LYS 102 8.630 13.692 11.985 733 H SER 103 HN SER 103 2.260 14.496 10.713 734 HA SER 103 HA SER 103 3.389 13.098 12.942 735 1HB SER 103 2HB SER 103 1.831 15.582 12.487 736 2HB SER 103 3HB SER 103 1.399 14.743 13.964 737 HG SER 103 HG SER 103 3.470 16.354 13.626 738 H LEU 104 HN LEU 104 0.317 13.320 11.113 739 HA LEU 104 HA LEU 104 -1.052 11.633 13.015 740 1HB LEU 104 2HB LEU 104 -1.795 13.576 11.153 741 2HB LEU 104 3HB LEU 104 -2.390 12.071 10.480 742 HG LEU 104 HG LEU 104 -3.760 11.635 12.372 743 1HD1 LEU 104 1HD1 LEU 104 -2.040 13.670 13.731 744 2HD1 LEU 104 2HD1 LEU 104 -3.721 13.458 14.277 745 3HD1 LEU 104 3HD1 LEU 104 -2.599 12.077 14.295 746 1HD2 LEU 104 1HD2 LEU 104 -3.934 14.588 11.712 747 2HD2 LEU 104 2HD2 LEU 104 -4.679 13.253 10.800 748 3HD2 LEU 104 3HD2 LEU 104 -5.217 13.607 12.459 749 H GLY 105 HN GLY 105 1.405 10.989 11.028 750 1HA GLY 105 1HA GLY 105 0.227 8.458 10.045 751 2HA GLY 105 2HA GLY 105 1.504 9.340 9.233 752 H THR 106 HN THR 106 3.459 9.916 10.882 753 HA THR 106 HA THR 106 4.796 7.603 11.411 754 HB THR 106 HB THR 106 5.641 10.025 11.335 755 HG1 THR 106 HG1 THR 106 7.369 9.167 12.475 756 1HG2 THR 106 1HG2 THR 106 5.789 11.183 13.529 757 2HG2 THR 106 2HG2 THR 106 4.083 10.984 13.064 758 3HG2 THR 106 3HG2 THR 106 4.805 9.905 14.281 759 H GLY 107 HN GLY 107 5.018 6.122 13.031 760 1HA GLY 107 1HA GLY 107 4.678 5.154 15.064 761 2HA GLY 107 2HA GLY 107 3.796 6.568 15.606 762 H ALA 108 HN ALA 108 2.752 5.410 12.503 763 HA ALA 108 HA ALA 108 0.190 4.773 13.513 764 1HB ALA 108 1HB ALA 108 1.546 5.110 10.945 765 2HB ALA 108 2HB ALA 108 0.401 3.748 10.914 766 3HB ALA 108 3HB ALA 108 -0.162 5.373 11.370 767 HA PRO 109 HA PRO 109 1.622 0.343 12.683 768 1HB PRO 109 2HB PRO 109 4.231 -0.175 12.056 769 2HB PRO 109 3HB PRO 109 2.973 0.005 10.850 770 1HG PRO 109 2HG PRO 109 5.108 1.907 11.598 771 2HG PRO 109 3HG PRO 109 4.128 1.873 10.146 772 1HD PRO 109 2HD PRO 109 3.821 3.643 12.383 773 2HD PRO 109 3HD PRO 109 2.772 3.530 10.983 774 H VAL 110 HN VAL 110 1.102 0.739 14.969 775 HA VAL 110 HA VAL 110 3.463 -0.038 16.531 776 HB VAL 110 HB VAL 110 2.566 1.345 18.371 777 1HG1 VAL 110 1HG1 VAL 110 3.467 2.554 15.772 778 2HG1 VAL 110 2HG1 VAL 110 3.044 3.617 17.136 779 3HG1 VAL 110 3HG1 VAL 110 4.334 2.404 17.320 780 1HG2 VAL 110 1HG2 VAL 110 0.291 1.540 16.666 781 2HG2 VAL 110 2HG2 VAL 110 0.517 2.217 18.297 782 3HG2 VAL 110 3HG2 VAL 110 0.959 3.178 16.865 783 H ILE 111 HN ILE 111 3.146 -1.719 17.971 784 HA ILE 111 HA ILE 111 0.390 -2.734 18.101 785 HB ILE 111 HB ILE 111 1.324 -4.979 18.181 786 1HG1 ILE 111 2HG1 ILE 111 4.004 -4.297 17.224 787 2HG1 ILE 111 3HG1 ILE 111 3.715 -3.732 18.857 788 1HG2 ILE 111 1HG2 ILE 111 1.557 -3.170 15.878 789 2HG2 ILE 111 2HG2 ILE 111 2.531 -4.654 15.744 790 3HG2 ILE 111 3HG2 ILE 111 0.776 -4.763 16.022 791 1HD1 ILE 111 1HD1 ILE 111 3.451 -5.875 19.714 792 2HD1 ILE 111 2HD1 ILE 111 2.801 -6.519 18.188 793 3HD1 ILE 111 3HD1 ILE 111 4.550 -6.235 18.361 Start of MODEL 5 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 3.066 0.366 -0.983 3 1HB ASP 8 2HB ASP 8 3.168 -1.786 -1.700 4 2HB ASP 8 3HB ASP 8 1.490 -2.062 -1.276 5 HA PRO 9 HA PRO 9 -0.272 1.584 -4.188 6 1HB PRO 9 2HB PRO 9 -2.914 1.297 -3.551 7 2HB PRO 9 3HB PRO 9 -2.016 0.109 -4.475 8 1HG PRO 9 2HG PRO 9 -2.880 -0.008 -1.650 9 2HG PRO 9 3HG PRO 9 -2.374 -1.318 -2.698 10 1HD PRO 9 2HD PRO 9 -0.827 -0.084 -0.621 11 2HD PRO 9 3HD PRO 9 -0.281 -1.314 -1.745 12 H ALA 10 HN ALA 10 -2.129 2.091 -1.218 13 HA ALA 10 HA ALA 10 -1.494 4.942 -1.527 14 1HB ALA 10 1HB ALA 10 -4.111 4.360 -0.324 15 2HB ALA 10 2HB ALA 10 -3.680 5.503 -1.618 16 3HB ALA 10 3HB ALA 10 -3.982 3.793 -2.006 17 H VAL 11 HN VAL 11 -0.472 2.501 0.104 18 HA VAL 11 HA VAL 11 -1.240 3.279 2.784 19 HB VAL 11 HB VAL 11 0.770 1.217 1.870 20 1HG1 VAL 11 1HG1 VAL 11 -0.506 1.933 4.480 21 2HG1 VAL 11 2HG1 VAL 11 -0.186 0.215 4.142 22 3HG1 VAL 11 3HG1 VAL 11 1.151 1.390 4.125 23 1HG2 VAL 11 1HG2 VAL 11 -2.118 0.646 2.566 24 2HG2 VAL 11 2HG2 VAL 11 -1.591 0.970 0.897 25 3HG2 VAL 11 3HG2 VAL 11 -0.926 -0.421 1.786 26 H ASP 12 HN ASP 12 1.433 3.642 0.455 27 HA ASP 12 HA ASP 12 3.397 4.391 2.213 28 1HB ASP 12 2HB ASP 12 3.036 4.270 -0.578 29 2HB ASP 12 3HB ASP 12 3.381 5.963 -0.285 30 H ARG 13 HN ARG 13 0.987 6.382 0.341 31 HA ARG 13 HA ARG 13 1.804 8.826 1.248 32 1HB ARG 13 2HB ARG 13 -0.713 9.441 0.790 33 2HB ARG 13 3HB ARG 13 0.263 8.866 -0.547 34 1HG ARG 13 2HG ARG 13 -1.075 7.055 -0.833 35 2HG ARG 13 3HG ARG 13 -0.880 6.582 0.844 36 1HD ARG 13 2HD ARG 13 -2.879 8.651 -0.194 37 2HD ARG 13 3HD ARG 13 -3.271 7.017 0.303 38 HE ARG 13 HE ARG 13 -2.034 7.970 2.546 39 1HH1 ARG 13 2HH2 ARG 13 -4.563 9.337 0.517 40 2HH1 ARG 13 1HH2 ARG 13 -5.297 10.225 1.810 41 1HH2 ARG 13 2HH1 ARG 13 -3.002 9.142 4.252 42 2HH2 ARG 13 1HH1 ARG 13 -4.403 10.113 3.949 43 H SER 14 HN SER 14 -0.355 6.366 2.710 44 HA SER 14 HA SER 14 -1.490 7.974 4.644 45 1HB SER 14 2HB SER 14 -1.347 5.153 3.993 46 2HB SER 14 3HB SER 14 -1.137 5.345 5.723 47 HG SER 14 HG SER 14 -3.291 6.538 4.195 48 H LEU 15 HN LEU 15 1.595 6.123 4.538 49 HA LEU 15 HA LEU 15 2.230 6.564 7.261 50 1HB LEU 15 2HB LEU 15 4.067 5.898 4.959 51 2HB LEU 15 3HB LEU 15 4.405 5.695 6.666 52 HG LEU 15 HG LEU 15 2.075 4.269 5.400 53 1HD1 LEU 15 1HD1 LEU 15 4.085 3.829 4.006 54 2HD1 LEU 15 2HD1 LEU 15 4.911 3.205 5.454 55 3HD1 LEU 15 3HD1 LEU 15 3.459 2.383 4.834 56 1HD2 LEU 15 1HD2 LEU 15 3.225 4.382 8.002 57 2HD2 LEU 15 2HD2 LEU 15 1.839 3.421 7.433 58 3HD2 LEU 15 3HD2 LEU 15 3.484 2.744 7.354 59 H ARG 16 HN ARG 16 2.095 8.616 4.516 60 HA ARG 16 HA ARG 16 4.035 10.392 5.757 61 1HB ARG 16 2HB ARG 16 2.908 10.401 2.911 62 2HB ARG 16 3HB ARG 16 4.073 11.558 3.522 63 1HG ARG 16 2HG ARG 16 5.236 9.096 4.183 64 2HG ARG 16 3HG ARG 16 4.488 8.769 2.633 65 1HD ARG 16 2HD ARG 16 6.581 10.878 3.291 66 2HD ARG 16 3HD ARG 16 6.691 9.578 2.121 67 HE ARG 16 HE ARG 16 5.295 12.151 1.764 68 1HH1 ARG 16 2HH2 ARG 16 5.762 8.878 0.559 69 2HH1 ARG 16 1HH2 ARG 16 5.188 9.245 -1.034 70 1HH2 ARG 16 2HH1 ARG 16 4.538 12.636 -0.337 71 2HH2 ARG 16 1HH1 ARG 16 4.487 11.398 -1.546 72 H SER 17 HN SER 17 1.919 10.557 7.268 73 HA SER 17 HA SER 17 0.859 13.089 6.759 74 1HB SER 17 2HB SER 17 -0.947 10.702 6.249 75 2HB SER 17 3HB SER 17 -1.612 12.236 6.773 76 HG SER 17 HG SER 17 -1.637 12.578 4.633 77 H VAL 18 HN VAL 18 0.633 13.954 8.793 78 HA VAL 18 HA VAL 18 0.009 12.065 10.958 79 HB VAL 18 HB VAL 18 1.274 14.055 12.237 80 1HG1 VAL 18 1HG1 VAL 18 2.607 11.702 10.854 81 2HG1 VAL 18 2HG1 VAL 18 3.289 12.623 12.216 82 3HG1 VAL 18 3HG1 VAL 18 1.796 11.680 12.439 83 1HG2 VAL 18 1HG2 VAL 18 3.065 15.001 11.043 84 2HG2 VAL 18 2HG2 VAL 18 2.880 13.867 9.684 85 3HG2 VAL 18 3HG2 VAL 18 1.675 15.151 9.942 86 H PHE 19 HN PHE 19 -1.848 12.468 12.053 87 HA PHE 19 HA PHE 19 -3.376 14.767 11.294 88 1HB PHE 19 2HB PHE 19 -4.562 12.690 11.649 89 2HB PHE 19 3HB PHE 19 -3.631 12.307 13.084 90 HD1 PHE 19 HD1 PHE 19 -6.606 13.864 11.805 91 HD2 PHE 19 HD2 PHE 19 -4.074 13.607 15.201 92 HE1 PHE 19 HE1 PHE 19 -8.442 14.791 13.244 93 HE2 PHE 19 HE2 PHE 19 -5.910 14.535 16.640 94 HZ PHE 19 HZ PHE 19 -8.072 15.116 15.644 95 H VAL 20 HN VAL 20 -3.597 16.678 12.383 96 HA VAL 20 HA VAL 20 -2.387 16.781 15.060 97 HB VAL 20 HB VAL 20 -2.684 19.154 13.250 98 1HG1 VAL 20 1HG1 VAL 20 -2.065 19.417 15.657 99 2HG1 VAL 20 2HG1 VAL 20 -0.594 18.466 15.341 100 3HG1 VAL 20 3HG1 VAL 20 -0.834 20.031 14.528 101 1HG2 VAL 20 1HG2 VAL 20 -0.187 18.606 12.659 102 2HG2 VAL 20 2HG2 VAL 20 -0.674 16.931 13.011 103 3HG2 VAL 20 3HG2 VAL 20 -1.509 17.852 11.737 104 H GLY 21 HN GLY 21 -3.642 17.514 16.736 105 1HA GLY 21 1HA GLY 21 -6.199 18.808 16.062 106 2HA GLY 21 2HA GLY 21 -6.194 17.359 17.046 107 H ASN 22 HN ASN 22 -7.299 19.269 18.418 108 HA ASN 22 HA ASN 22 -7.235 20.508 20.195 109 1HB ASN 22 2HB ASN 22 -5.665 18.463 20.883 110 2HB ASN 22 3HB ASN 22 -4.385 19.658 20.826 111 1HD2 ASN 22 1HD2 ASN 22 -3.893 20.194 22.812 112 2HD2 ASN 22 2HD2 ASN 22 -4.987 20.641 24.078 113 H ILE 23 HN ILE 23 -6.195 21.589 17.634 114 HA ILE 23 HA ILE 23 -4.099 23.410 18.562 115 HB ILE 23 HB ILE 23 -4.988 23.233 15.720 116 1HG1 ILE 23 2HG1 ILE 23 -3.141 21.201 17.006 117 2HG1 ILE 23 3HG1 ILE 23 -4.793 20.878 16.518 118 1HG2 ILE 23 1HG2 ILE 23 -2.166 23.259 16.092 119 2HG2 ILE 23 2HG2 ILE 23 -3.220 24.539 15.446 120 3HG2 ILE 23 3HG2 ILE 23 -2.879 24.464 17.191 121 1HD1 ILE 23 1HD1 ILE 23 -2.357 21.304 14.826 122 2HD1 ILE 23 2HD1 ILE 23 -3.741 20.213 14.574 123 3HD1 ILE 23 3HD1 ILE 23 -3.892 21.945 14.194 124 HA PRO 24 HA PRO 24 -7.263 26.389 18.862 125 1HB PRO 24 2HB PRO 24 -5.732 28.434 19.831 126 2HB PRO 24 3HB PRO 24 -6.432 27.194 20.852 127 1HG PRO 24 2HG PRO 24 -3.624 27.515 19.985 128 2HG PRO 24 3HG PRO 24 -4.261 26.566 21.313 129 1HD PRO 24 2HD PRO 24 -3.371 25.580 18.771 130 2HD PRO 24 3HD PRO 24 -4.115 24.647 20.055 131 H TYR 25 HN TYR 25 -7.795 28.653 18.114 132 HA TYR 25 HA TYR 25 -7.145 28.735 15.363 133 1HB TYR 25 2HB TYR 25 -8.510 30.477 17.478 134 2HB TYR 25 3HB TYR 25 -8.277 31.131 15.869 135 HD1 TYR 25 HD1 TYR 25 -9.184 27.640 16.872 136 HD2 TYR 25 HD2 TYR 25 -10.433 31.260 14.963 137 HE1 TYR 25 HE1 TYR 25 -11.321 26.502 16.094 138 HE2 TYR 25 HE2 TYR 25 -12.565 30.109 14.192 139 HH TYR 25 HH TYR 25 -13.836 28.337 14.425 140 H GLU 26 HN GLU 26 -5.304 29.571 18.075 141 HA GLU 26 HA GLU 26 -4.155 31.913 16.870 142 1HB GLU 26 2HB GLU 26 -4.531 31.165 19.480 143 2HB GLU 26 3HB GLU 26 -2.863 30.676 19.259 144 1HG GLU 26 2HG GLU 26 -2.120 32.833 19.197 145 2HG GLU 26 3HG GLU 26 -3.382 33.328 18.087 146 H ALA 27 HN ALA 27 -3.840 28.548 16.565 147 HA ALA 27 HA ALA 27 -1.019 28.816 15.779 148 1HB ALA 27 1HB ALA 27 -0.635 26.665 16.541 149 2HB ALA 27 2HB ALA 27 -1.896 27.180 17.687 150 3HB ALA 27 3HB ALA 27 -2.323 26.159 16.293 151 H THR 28 HN THR 28 -1.194 29.428 13.630 152 HA THR 28 HA THR 28 -3.100 28.000 11.952 153 HB THR 28 HB THR 28 -2.715 29.800 10.418 154 HG1 THR 28 HG1 THR 28 -0.347 30.290 12.084 155 1HG2 THR 28 1HG2 THR 28 -1.894 31.345 12.872 156 2HG2 THR 28 2HG2 THR 28 -3.151 31.725 11.670 157 3HG2 THR 28 3HG2 THR 28 -3.463 30.506 12.930 158 H GLU 29 HN GLU 29 -2.163 27.493 9.628 159 HA GLU 29 HA GLU 29 -0.511 25.326 9.989 160 1HB GLU 29 2HB GLU 29 -1.592 26.856 7.660 161 2HB GLU 29 3HB GLU 29 -0.203 25.843 7.323 162 1HG GLU 29 2HG GLU 29 -1.436 23.923 8.488 163 2HG GLU 29 3HG GLU 29 -2.849 24.957 8.560 164 H GLU 30 HN GLU 30 0.213 28.747 9.404 165 HA GLU 30 HA GLU 30 2.795 28.412 8.442 166 1HB GLU 30 2HB GLU 30 1.171 30.629 9.606 167 2HB GLU 30 3HB GLU 30 2.908 30.839 9.712 168 1HG GLU 30 2HG GLU 30 2.954 31.455 7.533 169 2HG GLU 30 3HG GLU 30 2.400 29.856 7.078 170 H GLN 31 HN GLN 31 1.399 28.376 11.718 171 HA GLN 31 HA GLN 31 4.015 28.464 12.900 172 1HB GLN 31 2HB GLN 31 1.201 28.267 14.040 173 2HB GLN 31 3HB GLN 31 2.625 28.146 15.055 174 1HG GLN 31 2HG GLN 31 3.111 30.420 13.447 175 2HG GLN 31 3HG GLN 31 1.406 30.528 13.838 176 1HE2 GLN 31 1HE2 GLN 31 0.785 31.183 15.780 177 2HE2 GLN 31 2HE2 GLN 31 1.815 31.478 17.141 178 H LEU 32 HN LEU 32 1.275 26.150 12.449 179 HA LEU 32 HA LEU 32 2.392 24.043 13.883 180 1HB LEU 32 2HB LEU 32 0.342 24.294 11.714 181 2HB LEU 32 3HB LEU 32 0.889 22.704 12.209 182 HG LEU 32 HG LEU 32 0.212 23.224 14.548 183 1HD1 LEU 32 1HD1 LEU 32 -1.060 25.159 15.106 184 2HD1 LEU 32 2HD1 LEU 32 0.423 25.715 14.293 185 3HD1 LEU 32 3HD1 LEU 32 -1.122 25.690 13.408 186 1HD2 LEU 32 1HD2 LEU 32 -1.301 21.935 13.249 187 2HD2 LEU 32 2HD2 LEU 32 -2.268 23.164 14.098 188 3HD2 LEU 32 3HD2 LEU 32 -1.884 23.370 12.372 189 H LYS 33 HN LYS 33 2.602 24.908 10.371 190 HA LYS 33 HA LYS 33 4.139 22.729 9.614 191 1HB LYS 33 2HB LYS 33 2.918 24.484 8.190 192 2HB LYS 33 3HB LYS 33 4.342 25.485 8.391 193 1HG LYS 33 2HG LYS 33 5.557 24.244 6.913 194 2HG LYS 33 3HG LYS 33 5.063 22.731 7.647 195 1HD LYS 33 2HD LYS 33 3.338 22.413 6.160 196 2HD LYS 33 3HD LYS 33 2.890 24.107 6.153 197 1HE LYS 33 2HE LYS 33 5.408 24.109 4.908 198 2HE LYS 33 3HE LYS 33 4.671 22.634 4.313 199 1HZ LYS 33 1HZ LYS 33 3.018 25.007 4.348 200 2HZ LYS 33 2HZ LYS 33 4.205 24.947 3.228 201 3HZ LYS 33 3HZ LYS 33 3.060 23.784 3.266 202 H ASP 34 HN ASP 34 5.023 25.852 11.133 203 HA ASP 34 HA ASP 34 7.747 25.630 10.723 204 1HB ASP 34 2HB ASP 34 6.030 27.458 11.896 205 2HB ASP 34 3HB ASP 34 6.858 26.827 13.306 206 H ILE 35 HN ILE 35 5.514 24.471 13.316 207 HA ILE 35 HA ILE 35 7.526 23.561 15.059 208 HB ILE 35 HB ILE 35 4.652 22.672 14.799 209 1HG1 ILE 35 2HG1 ILE 35 5.474 24.676 16.835 210 2HG1 ILE 35 3HG1 ILE 35 5.416 25.237 15.175 211 1HG2 ILE 35 1HG2 ILE 35 6.144 21.196 16.154 212 2HG2 ILE 35 2HG2 ILE 35 6.471 22.585 17.218 213 3HG2 ILE 35 3HG2 ILE 35 4.817 21.944 17.074 214 1HD1 ILE 35 1HD1 ILE 35 3.156 25.310 15.228 215 2HD1 ILE 35 2HD1 ILE 35 3.077 23.596 15.703 216 3HD1 ILE 35 3HD1 ILE 35 3.223 24.859 16.949 217 H PHE 36 HN PHE 36 5.568 21.961 12.473 218 HA PHE 36 HA PHE 36 6.711 19.425 12.895 219 1HB PHE 36 2HB PHE 36 5.144 20.929 10.766 220 2HB PHE 36 3HB PHE 36 5.849 19.393 10.305 221 HD1 PHE 36 HD1 PHE 36 4.309 20.392 13.547 222 HD2 PHE 36 HD2 PHE 36 4.044 17.947 10.088 223 HE1 PHE 36 HE1 PHE 36 2.345 19.190 14.547 224 HE2 PHE 36 HE2 PHE 36 2.081 16.745 11.089 225 HZ PHE 36 HZ PHE 36 1.255 17.381 13.306 226 H SER 37 HN SER 37 7.722 22.316 11.108 227 HA SER 37 HA SER 37 9.416 21.075 9.309 228 1HB SER 37 2HB SER 37 9.618 23.218 8.633 229 2HB SER 37 3HB SER 37 8.700 23.723 10.037 230 HG SER 37 HG SER 37 10.579 24.124 11.186 231 H GLU 38 HN GLU 38 9.744 21.927 12.752 232 HA GLU 38 HA GLU 38 12.510 21.803 12.892 233 1HB GLU 38 2HB GLU 38 11.155 22.791 14.675 234 2HB GLU 38 3HB GLU 38 10.366 21.258 14.989 235 1HG GLU 38 2HG GLU 38 12.171 21.719 16.645 236 2HG GLU 38 3HG GLU 38 12.490 20.256 15.734 237 H VAL 39 HN VAL 39 10.244 19.371 12.141 238 HA VAL 39 HA VAL 39 11.967 17.262 13.219 239 HB VAL 39 HB VAL 39 9.148 17.211 12.122 240 1HG1 VAL 39 1HG1 VAL 39 9.410 15.015 11.837 241 2HG1 VAL 39 2HG1 VAL 39 11.073 15.089 12.468 242 3HG1 VAL 39 3HG1 VAL 39 9.707 14.858 13.585 243 1HG2 VAL 39 1HG2 VAL 39 9.653 16.405 14.915 244 2HG2 VAL 39 2HG2 VAL 39 9.970 18.123 14.572 245 3HG2 VAL 39 3HG2 VAL 39 8.369 17.427 14.226 246 H GLY 40 HN GLY 40 11.408 19.133 10.429 247 1HA GLY 40 1HA GLY 40 13.252 18.260 8.788 248 2HA GLY 40 2HA GLY 40 12.083 16.973 8.570 249 HA PRO 41 HA PRO 41 10.931 20.383 5.771 250 1HB PRO 41 2HB PRO 41 11.140 19.040 3.400 251 2HB PRO 41 3HB PRO 41 12.424 20.038 4.052 252 1HG PRO 41 2HG PRO 41 12.229 17.089 3.970 253 2HG PRO 41 3HG PRO 41 13.647 18.089 4.216 254 1HD PRO 41 2HD PRO 41 12.199 16.642 6.224 255 2HD PRO 41 3HD PRO 41 13.545 17.733 6.485 256 H VAL 42 HN VAL 42 8.837 20.868 5.799 257 HA VAL 42 HA VAL 42 7.030 18.611 5.790 258 HB VAL 42 HB VAL 42 6.228 21.499 5.892 259 1HG1 VAL 42 1HG1 VAL 42 4.330 20.176 5.959 260 2HG1 VAL 42 2HG1 VAL 42 5.139 18.869 6.857 261 3HG1 VAL 42 3HG1 VAL 42 4.681 20.373 7.692 262 1HG2 VAL 42 1HG2 VAL 42 6.530 21.198 8.462 263 2HG2 VAL 42 2HG2 VAL 42 7.717 19.953 8.006 264 3HG2 VAL 42 3HG2 VAL 42 7.939 21.635 7.466 265 H VAL 43 HN VAL 43 5.930 17.885 4.036 266 HA VAL 43 HA VAL 43 6.438 19.128 1.518 267 HB VAL 43 HB VAL 43 4.556 16.871 2.228 268 1HG1 VAL 43 1HG1 VAL 43 5.145 16.171 -0.156 269 2HG1 VAL 43 2HG1 VAL 43 4.086 17.590 0.021 270 3HG1 VAL 43 3HG1 VAL 43 5.810 17.809 -0.362 271 1HG2 VAL 43 1HG2 VAL 43 7.482 16.702 1.434 272 2HG2 VAL 43 2HG2 VAL 43 6.848 16.457 3.079 273 3HG2 VAL 43 3HG2 VAL 43 6.389 15.339 1.772 274 H SER 44 HN SER 44 3.286 18.203 3.075 275 HA SER 44 HA SER 44 2.324 20.842 2.367 276 1HB SER 44 2HB SER 44 0.265 19.917 1.372 277 2HB SER 44 3HB SER 44 1.677 19.377 0.486 278 HG SER 44 HG SER 44 -0.193 17.894 1.929 279 H PHE 45 HN PHE 45 0.091 21.244 3.448 280 HA PHE 45 HA PHE 45 -0.555 19.504 5.630 281 1HB PHE 45 2HB PHE 45 1.478 21.139 6.210 282 2HB PHE 45 3HB PHE 45 0.257 22.396 6.218 283 HD1 PHE 45 HD1 PHE 45 1.910 21.766 8.583 284 HD2 PHE 45 HD2 PHE 45 -1.812 20.154 7.336 285 HE1 PHE 45 HE1 PHE 45 1.353 21.209 10.966 286 HE2 PHE 45 HE2 PHE 45 -2.369 19.597 9.719 287 HZ PHE 45 HZ PHE 45 -0.780 20.131 11.506 288 H ARG 46 HN ARG 46 -2.746 19.466 5.527 289 HA ARG 46 HA ARG 46 -4.046 22.039 5.197 290 1HB ARG 46 2HB ARG 46 -4.753 19.446 3.737 291 2HB ARG 46 3HB ARG 46 -5.800 20.851 3.765 292 1HG ARG 46 2HG ARG 46 -3.330 21.936 3.013 293 2HG ARG 46 3HG ARG 46 -3.330 20.380 2.206 294 1HD ARG 46 2HD ARG 46 -5.953 21.419 1.821 295 2HD ARG 46 3HD ARG 46 -4.878 22.780 1.570 296 HE ARG 46 HE ARG 46 -4.289 21.807 -0.458 297 1HH1 ARG 46 2HH2 ARG 46 -5.179 19.238 1.776 298 2HH1 ARG 46 1HH2 ARG 46 -4.924 17.972 0.623 299 1HH2 ARG 46 2HH1 ARG 46 -3.952 20.137 -1.981 300 2HH2 ARG 46 1HH1 ARG 46 -4.221 18.486 -1.529 301 H LEU 47 HN LEU 47 -5.849 22.325 6.559 302 HA LEU 47 HA LEU 47 -6.517 19.997 8.221 303 1HB LEU 47 2HB LEU 47 -7.059 22.801 9.085 304 2HB LEU 47 3HB LEU 47 -6.763 21.366 10.046 305 HG LEU 47 HG LEU 47 -4.401 21.944 8.517 306 1HD1 LEU 47 1HD1 LEU 47 -4.663 24.185 8.292 307 2HD1 LEU 47 2HD1 LEU 47 -5.783 24.311 9.670 308 3HD1 LEU 47 3HD1 LEU 47 -4.032 24.168 9.956 309 1HD2 LEU 47 1HD2 LEU 47 -5.216 21.474 11.310 310 2HD2 LEU 47 2HD2 LEU 47 -3.828 20.846 10.388 311 3HD2 LEU 47 3HD2 LEU 47 -3.755 22.472 11.110 312 H VAL 48 HN VAL 48 -8.877 20.444 9.255 313 HA VAL 48 HA VAL 48 -10.594 20.573 6.929 314 HB VAL 48 HB VAL 48 -12.307 19.886 8.701 315 1HG1 VAL 48 1HG1 VAL 48 -11.822 18.073 7.438 316 2HG1 VAL 48 2HG1 VAL 48 -10.064 18.332 7.549 317 3HG1 VAL 48 3HG1 VAL 48 -10.934 17.546 8.888 318 1HG2 VAL 48 1HG2 VAL 48 -11.725 19.522 10.849 319 2HG2 VAL 48 2HG2 VAL 48 -10.137 18.848 10.412 320 3HG2 VAL 48 3HG2 VAL 48 -10.365 20.612 10.487 321 H TYR 49 HN TYR 49 -11.667 22.377 6.322 322 HA TYR 49 HA TYR 49 -12.158 24.390 8.410 323 1HB TYR 49 2HB TYR 49 -10.739 24.394 5.790 324 2HB TYR 49 3HB TYR 49 -11.996 25.615 5.836 325 HD1 TYR 49 HD1 TYR 49 -11.727 27.628 7.097 326 HD2 TYR 49 HD2 TYR 49 -8.888 24.453 7.504 327 HE1 TYR 49 HE1 TYR 49 -10.167 29.177 8.373 328 HE2 TYR 49 HE2 TYR 49 -7.337 26.013 8.779 329 HH TYR 49 HH TYR 49 -7.135 27.955 9.740 330 H ASP 50 HN ASP 50 -14.297 24.732 8.715 331 HA ASP 50 HA ASP 50 -16.144 23.645 6.882 332 1HB ASP 50 2HB ASP 50 -16.268 25.211 9.457 333 2HB ASP 50 3HB ASP 50 -17.719 25.149 8.477 334 H ARG 51 HN ARG 51 -16.566 24.705 4.933 335 HA ARG 51 HA ARG 51 -15.984 27.430 4.630 336 1HB ARG 51 2HB ARG 51 -17.434 25.388 2.887 337 2HB ARG 51 3HB ARG 51 -17.214 27.047 2.367 338 1HG ARG 51 2HG ARG 51 -14.803 26.846 2.404 339 2HG ARG 51 3HG ARG 51 -14.869 25.333 3.285 340 1HD ARG 51 2HD ARG 51 -14.487 24.585 1.087 341 2HD ARG 51 3HD ARG 51 -16.230 24.445 1.207 342 HE ARG 51 HE ARG 51 -14.732 26.421 -0.387 343 1HH1 ARG 51 2HH2 ARG 51 -17.844 25.516 0.985 344 2HH1 ARG 51 1HH2 ARG 51 -18.757 26.491 -0.118 345 1HH2 ARG 51 2HH1 ARG 51 -15.936 27.708 -1.841 346 2HH2 ARG 51 1HH1 ARG 51 -17.665 27.746 -1.736 347 H GLU 52 HN GLU 52 -18.833 25.551 5.546 348 HA GLU 52 HA GLU 52 -20.745 27.466 4.833 349 1HB GLU 52 2HB GLU 52 -20.651 24.889 6.221 350 2HB GLU 52 3HB GLU 52 -21.775 25.980 7.006 351 1HG GLU 52 2HG GLU 52 -23.088 26.253 5.029 352 2HG GLU 52 3HG GLU 52 -21.808 25.668 3.985 353 H THR 53 HN THR 53 -18.619 26.993 7.645 354 HA THR 53 HA THR 53 -19.901 29.318 8.925 355 HB THR 53 HB THR 53 -20.041 27.170 10.208 356 HG1 THR 53 HG1 THR 53 -19.086 28.200 12.085 357 1HG2 THR 53 1HG2 THR 53 -18.252 25.757 10.325 358 2HG2 THR 53 2HG2 THR 53 -17.307 26.877 9.314 359 3HG2 THR 53 3HG2 THR 53 -17.292 27.049 11.085 360 H GLY 54 HN GLY 54 -17.391 28.512 6.923 361 1HA GLY 54 1HA GLY 54 -15.375 29.410 6.479 362 2HA GLY 54 2HA GLY 54 -16.067 30.899 7.092 363 H LYS 55 HN LYS 55 -15.907 28.155 9.298 364 HA LYS 55 HA LYS 55 -13.591 29.421 10.591 365 1HB LYS 55 2HB LYS 55 -16.248 28.664 11.632 366 2HB LYS 55 3HB LYS 55 -14.905 28.122 12.618 367 1HG LYS 55 2HG LYS 55 -14.370 30.246 13.276 368 2HG LYS 55 3HG LYS 55 -14.548 30.894 11.658 369 1HD LYS 55 2HD LYS 55 -16.753 31.489 11.984 370 2HD LYS 55 3HD LYS 55 -17.107 30.070 12.949 371 1HE LYS 55 2HE LYS 55 -15.488 31.286 14.719 372 2HE LYS 55 3HE LYS 55 -15.947 32.719 13.820 373 1HZ LYS 55 1HZ LYS 55 -18.178 31.076 14.387 374 2HZ LYS 55 2HZ LYS 55 -17.404 31.520 15.755 375 3HZ LYS 55 3HZ LYS 55 -17.947 32.658 14.718 376 HA PRO 56 HA PRO 56 -11.720 25.545 10.231 377 1HB PRO 56 2HB PRO 56 -9.722 25.776 12.082 378 2HB PRO 56 3HB PRO 56 -9.622 26.462 10.473 379 1HG PRO 56 2HG PRO 56 -10.104 27.835 13.046 380 2HG PRO 56 3HG PRO 56 -9.583 28.518 11.518 381 1HD PRO 56 2HD PRO 56 -12.214 28.660 12.653 382 2HD PRO 56 3HD PRO 56 -11.720 29.241 11.075 383 H LYS 57 HN LYS 57 -11.965 23.458 10.857 384 HA LYS 57 HA LYS 57 -13.761 22.990 12.915 385 1HB LYS 57 2HB LYS 57 -12.203 21.451 11.007 386 2HB LYS 57 3HB LYS 57 -12.279 20.632 12.553 387 1HG LYS 57 2HG LYS 57 -14.727 21.764 11.121 388 2HG LYS 57 3HG LYS 57 -14.202 20.099 10.970 389 1HD LYS 57 2HD LYS 57 -14.246 20.558 13.758 390 2HD LYS 57 3HD LYS 57 -15.666 21.396 13.165 391 1HE LYS 57 2HE LYS 57 -15.588 18.902 11.770 392 2HE LYS 57 3HE LYS 57 -15.222 18.530 13.443 393 1HZ LYS 57 1HZ LYS 57 -17.245 19.217 14.108 394 2HZ LYS 57 2HZ LYS 57 -17.401 20.367 12.958 395 3HZ LYS 57 3HZ LYS 57 -17.660 18.799 12.585 396 H GLY 58 HN GLY 58 -10.167 22.440 12.858 397 1HA GLY 58 1HA GLY 58 -9.233 23.520 15.014 398 2HA GLY 58 2HA GLY 58 -10.228 22.306 15.795 399 H TYR 59 HN TYR 59 -9.711 20.516 13.255 400 HA TYR 59 HA TYR 59 -6.983 19.716 14.016 401 1HB TYR 59 2HB TYR 59 -7.928 17.365 13.587 402 2HB TYR 59 3HB TYR 59 -8.683 18.170 14.949 403 HD1 TYR 59 HD1 TYR 59 -9.191 16.748 11.649 404 HD2 TYR 59 HD2 TYR 59 -10.972 19.183 14.683 405 HE1 TYR 59 HE1 TYR 59 -11.478 16.402 10.594 406 HE2 TYR 59 HE2 TYR 59 -13.253 18.829 13.618 407 HH TYR 59 HH TYR 59 -13.566 17.037 10.581 408 H GLY 60 HN GLY 60 -5.781 18.547 12.325 409 1HA GLY 60 1HA GLY 60 -6.852 18.608 9.633 410 2HA GLY 60 2HA GLY 60 -5.575 19.767 9.943 411 H PHE 61 HN PHE 61 -4.676 18.205 8.122 412 HA PHE 61 HA PHE 61 -3.076 16.198 9.532 413 1HB PHE 61 2HB PHE 61 -4.493 16.065 6.803 414 2HB PHE 61 3HB PHE 61 -3.334 14.862 7.336 415 HD1 PHE 61 HD1 PHE 61 -3.988 13.092 8.755 416 HD2 PHE 61 HD2 PHE 61 -6.640 16.339 8.102 417 HE1 PHE 61 HE1 PHE 61 -5.832 11.811 9.876 418 HE2 PHE 61 HE2 PHE 61 -8.485 15.058 9.223 419 HZ PHE 61 HZ PHE 61 -8.059 12.809 10.097 420 H CYS 62 HN CYS 62 -0.906 16.072 8.901 421 HA CYS 62 HA CYS 62 -0.144 17.981 6.811 422 1HB CYS 62 2HB CYS 62 0.449 18.687 9.169 423 2HB CYS 62 3HB CYS 62 1.517 17.300 9.255 424 HG CYS 62 HG CYS 62 2.784 19.622 8.735 425 H GLU 63 HN GLU 63 0.903 17.014 5.097 426 HA GLU 63 HA GLU 63 1.739 14.266 5.510 427 1HB GLU 63 2HB GLU 63 0.282 14.325 3.670 428 2HB GLU 63 3HB GLU 63 0.869 15.880 3.114 429 1HG GLU 63 2HG GLU 63 2.710 14.963 2.021 430 2HG GLU 63 3HG GLU 63 2.861 13.631 3.150 431 H TYR 64 HN TYR 64 3.885 13.755 5.646 432 HA TYR 64 HA TYR 64 5.792 15.884 5.096 433 1HB TYR 64 2HB TYR 64 5.594 13.239 6.587 434 2HB TYR 64 3HB TYR 64 7.197 13.748 6.095 435 HD1 TYR 64 HD1 TYR 64 7.671 16.373 6.674 436 HD2 TYR 64 HD2 TYR 64 4.944 13.801 8.737 437 HE1 TYR 64 HE1 TYR 64 7.828 17.849 8.738 438 HE2 TYR 64 HE2 TYR 64 5.111 15.286 10.794 439 HH TYR 64 HH TYR 64 7.397 17.961 10.905 440 H GLN 65 HN GLN 65 8.098 14.460 4.520 441 HA GLN 65 HA GLN 65 7.380 13.268 1.955 442 1HB GLN 65 2HB GLN 65 8.848 15.553 2.326 443 2HB GLN 65 3HB GLN 65 10.133 14.362 2.318 444 1HG GLN 65 2HG GLN 65 9.468 13.529 0.130 445 2HG GLN 65 3HG GLN 65 7.976 14.449 0.164 446 1HE2 GLN 65 1HE2 GLN 65 10.996 14.334 -1.070 447 2HE2 GLN 65 2HE2 GLN 65 11.289 16.002 -1.432 448 H ASP 66 HN ASP 66 8.756 12.772 5.064 449 HA ASP 66 HA ASP 66 9.954 10.308 4.075 450 1HB ASP 66 2HB ASP 66 11.045 11.384 6.620 451 2HB ASP 66 3HB ASP 66 11.888 10.639 5.277 452 H GLN 67 HN GLN 67 9.240 8.463 5.221 453 HA GLN 67 HA GLN 67 7.060 8.735 6.911 454 1HB GLN 67 2HB GLN 67 8.713 6.553 5.812 455 2HB GLN 67 3HB GLN 67 8.081 6.178 7.402 456 1HG GLN 67 2HG GLN 67 6.299 5.469 6.074 457 2HG GLN 67 3HG GLN 67 5.797 7.114 6.411 458 1HE2 GLN 67 1HE2 GLN 67 5.610 5.056 4.104 459 2HE2 GLN 67 2HE2 GLN 67 5.932 5.983 2.677 460 H GLU 68 HN GLU 68 10.555 8.072 7.554 461 HA GLU 68 HA GLU 68 10.282 7.623 10.261 462 1HB GLU 68 2HB GLU 68 12.330 7.035 9.123 463 2HB GLU 68 3HB GLU 68 12.593 8.684 8.590 464 1HG GLU 68 2HG GLU 68 13.625 9.242 10.538 465 2HG GLU 68 3HG GLU 68 12.309 8.599 11.499 466 H THR 69 HN THR 69 10.562 10.643 8.354 467 HA THR 69 HA THR 69 11.018 12.352 10.558 468 HB THR 69 HB THR 69 9.868 12.798 7.753 469 HG1 THR 69 HG1 THR 69 12.158 13.387 7.462 470 1HG2 THR 69 1HG2 THR 69 11.409 14.954 9.081 471 2HG2 THR 69 2HG2 THR 69 9.907 15.065 8.132 472 3HG2 THR 69 3HG2 THR 69 9.840 14.640 9.859 473 H ALA 70 HN ALA 70 8.029 11.216 8.897 474 HA ALA 70 HA ALA 70 6.304 12.876 10.365 475 1HB ALA 70 1HB ALA 70 4.561 11.416 9.472 476 2HB ALA 70 2HB ALA 70 5.775 11.731 8.210 477 3HB ALA 70 3HB ALA 70 5.769 10.172 9.069 478 H LEU 71 HN LEU 71 7.688 9.605 10.919 479 HA LEU 71 HA LEU 71 6.069 9.061 13.174 480 1HB LEU 71 2HB LEU 71 6.906 7.054 12.864 481 2HB LEU 71 3HB LEU 71 7.869 7.690 11.545 482 HG LEU 71 HG LEU 71 9.653 8.254 13.274 483 1HD1 LEU 71 1HD1 LEU 71 7.722 7.719 15.116 484 2HD1 LEU 71 2HD1 LEU 71 8.619 6.182 15.099 485 3HD1 LEU 71 3HD1 LEU 71 9.472 7.706 15.444 486 1HD2 LEU 71 1HD2 LEU 71 10.657 6.137 13.099 487 2HD2 LEU 71 2HD2 LEU 71 9.088 5.295 13.078 488 3HD2 LEU 71 3HD2 LEU 71 9.597 6.266 11.675 489 H SER 72 HN SER 72 9.432 10.325 12.727 490 HA SER 72 HA SER 72 10.009 10.494 15.415 491 1HB SER 72 2HB SER 72 11.476 10.835 13.231 492 2HB SER 72 3HB SER 72 11.063 12.525 13.436 493 HG SER 72 HG SER 72 12.591 10.815 15.159 494 H ALA 73 HN ALA 73 8.284 12.707 13.181 495 HA ALA 73 HA ALA 73 8.241 14.923 14.921 496 1HB ALA 73 1HB ALA 73 6.013 15.139 13.279 497 2HB ALA 73 2HB ALA 73 7.656 15.694 12.878 498 3HB ALA 73 3HB ALA 73 7.102 14.091 12.339 499 H MET 74 HN MET 74 6.130 12.058 14.432 500 HA MET 74 HA MET 74 4.038 12.990 16.009 501 1HB MET 74 2HB MET 74 4.923 10.488 14.709 502 2HB MET 74 3HB MET 74 4.121 10.156 16.231 503 1HG MET 74 2HG MET 74 2.132 11.429 15.524 504 2HG MET 74 3HG MET 74 2.939 11.954 14.060 505 1HE MET 74 1HE MET 74 2.220 7.504 14.973 506 2HE MET 74 2HE MET 74 3.830 8.244 15.141 507 3HE MET 74 3HE MET 74 2.484 8.800 16.164 508 H ARG 75 HN ARG 75 6.930 10.948 16.763 509 HA ARG 75 HA ARG 75 6.138 10.675 19.464 510 1HB ARG 75 2HB ARG 75 7.637 9.084 18.040 511 2HB ARG 75 3HB ARG 75 8.940 10.215 18.346 512 1HG ARG 75 2HG ARG 75 7.394 9.400 20.767 513 2HG ARG 75 3HG ARG 75 8.292 8.106 19.998 514 1HD ARG 75 2HD ARG 75 9.746 10.712 20.376 515 2HD ARG 75 3HD ARG 75 9.409 9.783 21.824 516 HE ARG 75 HE ARG 75 10.432 7.878 20.101 517 1HH1 ARG 75 2HH2 ARG 75 11.576 11.023 21.190 518 2HH1 ARG 75 1HH2 ARG 75 13.251 10.609 21.038 519 1HH2 ARG 75 2HH1 ARG 75 12.642 7.332 19.899 520 2HH2 ARG 75 1HH1 ARG 75 13.861 8.496 20.298 521 H ASN 76 HN ASN 76 7.982 12.978 17.536 522 HA ASN 76 HA ASN 76 9.488 14.005 19.687 523 1HB ASN 76 2HB ASN 76 8.863 14.879 16.848 524 2HB ASN 76 3HB ASN 76 9.613 16.032 17.935 525 1HD2 ASN 76 1HD2 ASN 76 10.627 14.727 15.522 526 2HD2 ASN 76 2HD2 ASN 76 12.096 13.918 15.953 527 H LEU 77 HN LEU 77 6.347 14.679 18.082 528 HA LEU 77 HA LEU 77 5.927 16.951 19.880 529 1HB LEU 77 2HB LEU 77 4.737 16.126 17.248 530 2HB LEU 77 3HB LEU 77 3.894 17.241 18.305 531 HG LEU 77 HG LEU 77 5.891 18.743 18.251 532 1HD1 LEU 77 1HD1 LEU 77 7.170 17.885 15.892 533 2HD1 LEU 77 2HD1 LEU 77 7.840 17.961 17.540 534 3HD1 LEU 77 3HD1 LEU 77 7.078 16.461 16.957 535 1HD2 LEU 77 1HD2 LEU 77 5.557 19.098 15.582 536 2HD2 LEU 77 2HD2 LEU 77 4.128 18.109 15.967 537 3HD2 LEU 77 3HD2 LEU 77 4.405 19.645 16.823 538 H ASN 78 HN ASN 78 3.379 14.937 18.402 539 HA ASN 78 HA ASN 78 1.592 14.101 19.371 540 1HB ASN 78 2HB ASN 78 2.734 12.043 19.412 541 2HB ASN 78 3HB ASN 78 3.970 12.630 20.507 542 1HD2 ASN 78 1HD2 ASN 78 0.475 11.998 20.344 543 2HD2 ASN 78 2HD2 ASN 78 0.285 11.378 21.950 544 H GLY 79 HN GLY 79 0.697 15.935 20.545 545 1HA GLY 79 1HA GLY 79 -0.169 16.868 22.411 546 2HA GLY 79 2HA GLY 79 0.586 15.618 23.380 547 H ARG 80 HN ARG 80 2.368 17.723 21.084 548 HA ARG 80 HA ARG 80 4.065 18.501 23.229 549 1HB ARG 80 2HB ARG 80 4.425 18.113 20.508 550 2HB ARG 80 3HB ARG 80 4.366 19.862 20.588 551 1HG ARG 80 2HG ARG 80 6.062 18.475 22.646 552 2HG ARG 80 3HG ARG 80 6.650 18.447 20.995 553 1HD ARG 80 2HD ARG 80 7.576 20.471 21.635 554 2HD ARG 80 3HD ARG 80 6.014 21.073 21.115 555 HE ARG 80 HE ARG 80 5.558 21.637 23.329 556 1HH1 ARG 80 2HH2 ARG 80 7.989 19.093 23.304 557 2HH1 ARG 80 1HH2 ARG 80 8.213 19.114 25.022 558 1HH2 ARG 80 2HH1 ARG 80 5.853 21.665 25.595 559 2HH2 ARG 80 1HH1 ARG 80 6.990 20.587 26.333 560 H GLU 81 HN GLU 81 3.797 20.339 24.462 561 HA GLU 81 HA GLU 81 1.643 22.003 24.113 562 1HB GLU 81 2HB GLU 81 4.223 22.745 25.552 563 2HB GLU 81 3HB GLU 81 2.613 23.351 25.889 564 1HG GLU 81 2HG GLU 81 2.149 21.582 27.234 565 2HG GLU 81 3HG GLU 81 2.585 20.441 25.978 566 H PHE 82 HN PHE 82 1.340 24.069 23.188 567 HA PHE 82 HA PHE 82 3.393 25.687 22.260 568 1HB PHE 82 2HB PHE 82 3.725 23.778 20.652 569 2HB PHE 82 3HB PHE 82 2.025 23.823 20.229 570 HD1 PHE 82 HD1 PHE 82 5.284 25.186 19.570 571 HD2 PHE 82 HD2 PHE 82 1.129 25.839 19.008 572 HE1 PHE 82 HE1 PHE 82 5.789 26.797 17.713 573 HE2 PHE 82 HE2 PHE 82 1.634 27.451 17.151 574 HZ PHE 82 HZ PHE 82 3.957 27.911 16.526 575 H SER 83 HN SER 83 2.413 27.643 22.410 576 HA SER 83 HA SER 83 0.996 29.250 21.912 577 1HB SER 83 2HB SER 83 0.242 27.423 19.973 578 2HB SER 83 3HB SER 83 -1.257 27.628 20.856 579 HG SER 83 HG SER 83 0.302 29.898 19.994 580 H GLY 84 HN GLY 84 0.905 27.011 24.149 581 1HA GLY 84 1HA GLY 84 -0.096 27.205 26.219 582 2HA GLY 84 2HA GLY 84 -1.381 28.178 25.532 583 H ARG 85 HN ARG 85 -0.560 25.337 23.678 584 HA ARG 85 HA ARG 85 -2.461 23.716 25.089 585 1HB ARG 85 2HB ARG 85 -2.980 24.988 22.417 586 2HB ARG 85 3HB ARG 85 -3.431 23.300 22.560 587 1HG ARG 85 2HG ARG 85 -4.271 25.355 24.645 588 2HG ARG 85 3HG ARG 85 -5.218 25.080 23.196 589 1HD ARG 85 2HD ARG 85 -6.126 23.185 24.064 590 2HD ARG 85 3HD ARG 85 -4.543 22.517 24.409 591 HE ARG 85 HE ARG 85 -5.051 24.523 26.360 592 1HH1 ARG 85 2HH2 ARG 85 -6.319 21.382 25.404 593 2HH1 ARG 85 1HH2 ARG 85 -6.871 20.978 26.995 594 1HH2 ARG 85 2HH1 ARG 85 -5.779 23.989 28.460 595 2HH2 ARG 85 1HH1 ARG 85 -6.562 22.471 28.745 596 H ALA 86 HN ALA 86 -2.385 21.418 24.342 597 HA ALA 86 HA ALA 86 0.256 20.773 23.381 598 1HB ALA 86 1HB ALA 86 -1.304 18.437 23.714 599 2HB ALA 86 2HB ALA 86 -0.110 19.111 24.849 600 3HB ALA 86 3HB ALA 86 -1.827 19.557 24.994 601 H LEU 87 HN LEU 87 0.779 19.889 21.389 602 HA LEU 87 HA LEU 87 -1.327 20.068 19.399 603 1HB LEU 87 2HB LEU 87 1.560 20.396 19.482 604 2HB LEU 87 3HB LEU 87 1.064 19.357 18.161 605 HG LEU 87 HG LEU 87 -0.513 21.844 18.440 606 1HD1 LEU 87 1HD1 LEU 87 2.336 22.003 18.603 607 2HD1 LEU 87 2HD1 LEU 87 1.818 22.626 17.018 608 3HD1 LEU 87 3HD1 LEU 87 1.139 23.318 18.511 609 1HD2 LEU 87 1HD2 LEU 87 0.428 21.695 15.870 610 2HD2 LEU 87 2HD2 LEU 87 0.388 19.983 16.355 611 3HD2 LEU 87 3HD2 LEU 87 -1.088 20.973 16.461 612 H ARG 88 HN ARG 88 -2.635 18.257 19.700 613 HA ARG 88 HA ARG 88 -1.594 15.747 20.242 614 1HB ARG 88 2HB ARG 88 -4.054 16.713 20.413 615 2HB ARG 88 3HB ARG 88 -4.212 16.170 18.754 616 1HG ARG 88 2HG ARG 88 -4.813 14.168 19.683 617 2HG ARG 88 3HG ARG 88 -3.091 13.932 19.903 618 1HD ARG 88 2HD ARG 88 -3.270 14.069 22.171 619 2HD ARG 88 3HD ARG 88 -4.186 15.560 22.080 620 HE ARG 88 HE ARG 88 -5.840 13.326 21.289 621 1HH1 ARG 88 2HH2 ARG 88 -4.446 14.878 24.123 622 2HH1 ARG 88 1HH2 ARG 88 -5.678 14.308 25.199 623 1HH2 ARG 88 2HH1 ARG 88 -7.466 12.575 22.708 624 2HH2 ARG 88 1HH1 ARG 88 -7.407 12.990 24.388 625 H VAL 89 HN VAL 89 -0.092 14.832 18.835 626 HA VAL 89 HA VAL 89 -0.781 14.882 15.981 627 HB VAL 89 HB VAL 89 1.907 14.434 17.291 628 1HG1 VAL 89 1HG1 VAL 89 1.236 15.070 14.400 629 2HG1 VAL 89 2HG1 VAL 89 2.836 14.689 15.081 630 3HG1 VAL 89 3HG1 VAL 89 1.573 13.436 15.021 631 1HG2 VAL 89 1HG2 VAL 89 0.430 16.894 16.765 632 2HG2 VAL 89 2HG2 VAL 89 1.937 16.638 17.678 633 3HG2 VAL 89 3HG2 VAL 89 1.992 16.856 15.912 634 H ASP 90 HN ASP 90 -1.474 13.007 15.097 635 HA ASP 90 HA ASP 90 -0.507 10.561 16.317 636 1HB ASP 90 2HB ASP 90 -3.217 10.146 15.425 637 2HB ASP 90 3HB ASP 90 -2.562 9.935 17.036 638 H ASN 91 HN ASN 91 -0.161 8.899 14.734 639 HA ASN 91 HA ASN 91 0.386 9.548 12.218 640 1HB ASN 91 2HB ASN 91 0.272 7.177 13.698 641 2HB ASN 91 3HB ASN 91 -0.875 6.857 12.412 642 1HD2 ASN 91 1HD2 ASN 91 -0.181 6.337 10.453 643 2HD2 ASN 91 2HD2 ASN 91 1.464 6.353 9.910 644 H ALA 92 HN ALA 92 -0.825 10.116 10.392 645 HA ALA 92 HA ALA 92 -3.620 10.370 10.579 646 1HB ALA 92 1HB ALA 92 -2.003 11.759 9.204 647 2HB ALA 92 2HB ALA 92 -1.898 10.389 8.073 648 3HB ALA 92 3HB ALA 92 -3.454 11.213 8.330 649 H ALA 93 HN ALA 93 -1.608 7.653 10.053 650 HA ALA 93 HA ALA 93 -3.553 6.301 8.365 651 1HB ALA 93 1HB ALA 93 -0.787 6.240 8.550 652 2HB ALA 93 2HB ALA 93 -1.273 4.760 9.412 653 3HB ALA 93 3HB ALA 93 -1.797 5.024 7.732 654 H SER 94 HN SER 94 -4.178 7.233 11.165 655 HA SER 94 HA SER 94 -4.166 4.848 12.712 656 1HB SER 94 2HB SER 94 -4.819 7.690 13.092 657 2HB SER 94 3HB SER 94 -5.978 6.647 13.892 658 HG SER 94 HG SER 94 -4.170 5.557 14.945 659 H GLU 95 HN GLU 95 -6.118 3.691 13.438 660 HA GLU 95 HA GLU 95 -7.873 3.212 11.340 661 1HB GLU 95 2HB GLU 95 -7.263 1.550 13.095 662 2HB GLU 95 3HB GLU 95 -8.139 2.484 14.291 663 1HG GLU 95 2HG GLU 95 -9.967 2.121 12.141 664 2HG GLU 95 3HG GLU 95 -9.169 0.573 12.333 665 H LYS 96 HN LYS 96 -8.048 5.288 14.251 666 HA LYS 96 HA LYS 96 -10.829 5.878 13.812 667 1HB LYS 96 2HB LYS 96 -10.626 7.268 15.774 668 2HB LYS 96 3HB LYS 96 -9.868 5.718 16.080 669 1HG LYS 96 2HG LYS 96 -7.635 6.819 15.390 670 2HG LYS 96 3HG LYS 96 -8.478 8.354 15.435 671 1HD LYS 96 2HD LYS 96 -8.544 6.456 17.812 672 2HD LYS 96 3HD LYS 96 -7.218 7.580 17.588 673 1HE LYS 96 2HE LYS 96 -8.480 9.382 18.218 674 2HE LYS 96 3HE LYS 96 -9.855 8.874 17.259 675 1HZ LYS 96 1HZ LYS 96 -9.742 8.757 19.912 676 2HZ LYS 96 2HZ LYS 96 -10.752 7.853 19.000 677 3HZ LYS 96 3HZ LYS 96 -9.344 7.219 19.532 678 H ASN 97 HN ASN 97 -7.628 7.247 13.050 679 HA ASN 97 HA ASN 97 -8.623 9.768 12.333 680 1HB ASN 97 2HB ASN 97 -6.058 8.258 11.630 681 2HB ASN 97 3HB ASN 97 -6.351 9.897 11.085 682 1HD2 ASN 97 1HD2 ASN 97 -4.587 10.650 12.248 683 2HD2 ASN 97 2HD2 ASN 97 -4.613 10.873 13.965 684 H LYS 98 HN LYS 98 -8.587 6.596 10.865 685 HA LYS 98 HA LYS 98 -8.482 7.342 8.156 686 1HB LYS 98 2HB LYS 98 -8.807 4.940 9.728 687 2HB LYS 98 3HB LYS 98 -9.971 4.952 8.418 688 1HG LYS 98 2HG LYS 98 -8.096 5.501 6.810 689 2HG LYS 98 3HG LYS 98 -6.957 5.369 8.136 690 1HD LYS 98 2HD LYS 98 -8.173 2.982 8.463 691 2HD LYS 98 3HD LYS 98 -8.538 3.200 6.763 692 1HE LYS 98 2HE LYS 98 -5.741 3.887 7.315 693 2HE LYS 98 3HE LYS 98 -6.102 2.266 7.877 694 1HZ LYS 98 1HZ LYS 98 -5.795 1.746 5.755 695 2HZ LYS 98 2HZ LYS 98 -7.303 2.318 5.498 696 3HZ LYS 98 3HZ LYS 98 -6.008 3.270 5.207 697 H GLU 99 HN GLU 99 -11.124 7.047 10.566 698 HA GLU 99 HA GLU 99 -13.186 7.292 8.712 699 1HB GLU 99 2HB GLU 99 -13.359 6.478 11.113 700 2HB GLU 99 3HB GLU 99 -13.216 8.144 11.639 701 1HG GLU 99 2HG GLU 99 -15.246 8.740 10.298 702 2HG GLU 99 3HG GLU 99 -15.391 7.073 9.778 703 H GLU 100 HN GLU 100 -11.220 9.673 10.545 704 HA GLU 100 HA GLU 100 -12.829 11.861 9.812 705 1HB GLU 100 2HB GLU 100 -10.753 11.407 11.612 706 2HB GLU 100 3HB GLU 100 -9.993 12.444 10.422 707 1HG GLU 100 2HG GLU 100 -10.947 14.154 11.601 708 2HG GLU 100 3HG GLU 100 -12.408 13.732 10.731 709 H LEU 101 HN LEU 101 -9.821 10.354 8.517 710 HA LEU 101 HA LEU 101 -9.297 12.336 6.609 711 1HB LEU 101 2HB LEU 101 -8.472 9.505 7.069 712 2HB LEU 101 3HB LEU 101 -8.131 10.231 5.511 713 HG LEU 101 HG LEU 101 -7.337 11.955 7.741 714 1HD1 LEU 101 1HD1 LEU 101 -6.712 10.209 9.073 715 2HD1 LEU 101 2HD1 LEU 101 -6.445 9.105 7.703 716 3HD1 LEU 101 3HD1 LEU 101 -5.246 10.366 8.076 717 1HD2 LEU 101 1HD2 LEU 101 -6.658 11.550 5.067 718 2HD2 LEU 101 2HD2 LEU 101 -5.876 12.658 6.220 719 3HD2 LEU 101 3HD2 LEU 101 -5.226 11.018 5.981 720 H LYS 102 HN LYS 102 -11.512 9.553 6.706 721 HA LYS 102 HA LYS 102 -12.004 9.242 4.020 722 1HB LYS 102 2HB LYS 102 -12.856 7.976 6.161 723 2HB LYS 102 3HB LYS 102 -14.224 9.063 6.038 724 1HG LYS 102 2HG LYS 102 -14.154 8.319 3.457 725 2HG LYS 102 3HG LYS 102 -13.320 6.923 4.111 726 1HD LYS 102 2HD LYS 102 -15.505 7.294 5.860 727 2HD LYS 102 3HD LYS 102 -16.169 7.634 4.275 728 1HE LYS 102 2HE LYS 102 -14.459 5.163 4.755 729 2HE LYS 102 3HE LYS 102 -16.175 5.155 5.111 730 1HZ LYS 102 1HZ LYS 102 -15.923 4.429 2.920 731 2HZ LYS 102 2HZ LYS 102 -16.488 5.955 2.789 732 3HZ LYS 102 3HZ LYS 102 -14.910 5.643 2.513 733 H SER 103 HN SER 103 -12.887 11.867 6.217 734 HA SER 103 HA SER 103 -14.822 12.889 4.372 735 1HB SER 103 2HB SER 103 -13.752 13.739 7.071 736 2HB SER 103 3HB SER 103 -14.647 14.894 6.103 737 HG SER 103 HG SER 103 -15.754 13.233 7.726 738 H LEU 104 HN LEU 104 -11.436 13.466 5.396 739 HA LEU 104 HA LEU 104 -11.219 15.871 3.845 740 1HB LEU 104 2HB LEU 104 -9.926 14.862 6.021 741 2HB LEU 104 3HB LEU 104 -8.779 14.492 4.750 742 HG LEU 104 HG LEU 104 -8.542 16.793 4.153 743 1HD1 LEU 104 1HD1 LEU 104 -9.845 18.535 5.577 744 2HD1 LEU 104 2HD1 LEU 104 -10.645 17.756 4.190 745 3HD1 LEU 104 3HD1 LEU 104 -10.991 17.199 5.845 746 1HD2 LEU 104 1HD2 LEU 104 -7.916 17.811 6.424 747 2HD2 LEU 104 2HD2 LEU 104 -8.451 16.262 7.119 748 3HD2 LEU 104 3HD2 LEU 104 -7.118 16.295 5.940 749 H GLY 105 HN GLY 105 -11.420 12.583 3.106 750 1HA GLY 105 1HA GLY 105 -9.486 12.652 0.923 751 2HA GLY 105 2HA GLY 105 -10.454 11.291 1.454 752 H THR 106 HN THR 106 -10.978 14.651 0.147 753 HA THR 106 HA THR 106 -12.663 13.509 -1.932 754 HB THR 106 HB THR 106 -13.591 15.353 0.307 755 HG1 THR 106 HG1 THR 106 -15.296 13.701 0.171 756 1HG2 THR 106 1HG2 THR 106 -14.257 16.463 -1.837 757 2HG2 THR 106 2HG2 THR 106 -14.906 14.915 -2.427 758 3HG2 THR 106 3HG2 THR 106 -15.664 15.726 -1.036 759 H GLY 107 HN GLY 107 -13.326 15.267 -3.539 760 1HA GLY 107 1HA GLY 107 -11.132 16.406 -4.678 761 2HA GLY 107 2HA GLY 107 -12.773 16.980 -4.897 762 H ALA 108 HN ALA 108 -13.660 18.450 -3.066 763 HA ALA 108 HA ALA 108 -13.506 20.440 -2.097 764 1HB ALA 108 1HB ALA 108 -11.484 18.688 -0.806 765 2HB ALA 108 2HB ALA 108 -11.305 20.429 -0.480 766 3HB ALA 108 3HB ALA 108 -12.833 19.602 -0.089 767 HA PRO 109 HA PRO 109 -10.427 21.995 -5.041 768 1HB PRO 109 2HB PRO 109 -12.132 23.377 -6.670 769 2HB PRO 109 3HB PRO 109 -11.605 21.739 -7.003 770 1HG PRO 109 2HG PRO 109 -14.222 22.675 -5.998 771 2HG PRO 109 3HG PRO 109 -13.814 21.136 -6.729 772 1HD PRO 109 2HD PRO 109 -14.233 21.652 -3.939 773 2HD PRO 109 3HD PRO 109 -13.712 20.142 -4.659 774 H VAL 110 HN VAL 110 -10.143 24.414 -5.888 775 HA VAL 110 HA VAL 110 -10.916 26.056 -3.576 776 HB VAL 110 HB VAL 110 -8.763 27.210 -3.831 777 1HG1 VAL 110 1HG1 VAL 110 -7.798 25.804 -2.364 778 2HG1 VAL 110 2HG1 VAL 110 -9.261 24.812 -2.576 779 3HG1 VAL 110 3HG1 VAL 110 -7.794 24.449 -3.517 780 1HG2 VAL 110 1HG2 VAL 110 -7.377 25.157 -5.346 781 2HG2 VAL 110 2HG2 VAL 110 -8.664 25.911 -6.316 782 3HG2 VAL 110 3HG2 VAL 110 -7.399 26.922 -5.576 783 H ILE 111 HN ILE 111 -11.490 28.236 -4.023 784 HA ILE 111 HA ILE 111 -12.412 28.592 -6.740 785 HB ILE 111 HB ILE 111 -13.577 30.537 -5.819 786 1HG1 ILE 111 2HG1 ILE 111 -13.190 30.053 -3.010 787 2HG1 ILE 111 3HG1 ILE 111 -11.632 30.348 -3.757 788 1HG2 ILE 111 1HG2 ILE 111 -15.141 28.981 -5.538 789 2HG2 ILE 111 2HG2 ILE 111 -13.948 27.769 -5.011 790 3HG2 ILE 111 3HG2 ILE 111 -14.642 28.907 -3.831 791 1HD1 ILE 111 1HD1 ILE 111 -12.728 32.378 -4.923 792 2HD1 ILE 111 2HD1 ILE 111 -14.090 32.141 -3.802 793 3HD1 ILE 111 3HD1 ILE 111 -12.468 32.511 -3.167 Start of MODEL 6 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.384 0.392 -1.994 3 1HB ASP 8 2HB ASP 8 3.124 1.674 -0.415 4 2HB ASP 8 3HB ASP 8 4.139 0.284 -0.747 5 HA PRO 9 HA PRO 9 2.553 -4.045 -1.513 6 1HB PRO 9 2HB PRO 9 0.329 -5.192 -2.612 7 2HB PRO 9 3HB PRO 9 0.538 -4.968 -0.887 8 1HG PRO 9 2HG PRO 9 -1.171 -3.448 -2.759 9 2HG PRO 9 3HG PRO 9 -1.260 -3.529 -1.011 10 1HD PRO 9 2HD PRO 9 -0.195 -1.375 -2.577 11 2HD PRO 9 3HD PRO 9 -0.179 -1.508 -0.829 12 H ALA 10 HN ALA 10 0.392 -4.096 -4.226 13 HA ALA 10 HA ALA 10 1.931 -3.218 -6.244 14 1HB ALA 10 1HB ALA 10 3.827 -4.478 -6.007 15 2HB ALA 10 2HB ALA 10 2.983 -5.780 -5.135 16 3HB ALA 10 3HB ALA 10 2.862 -5.672 -6.908 17 H VAL 11 HN VAL 11 -0.012 -2.896 -7.288 18 HA VAL 11 HA VAL 11 -2.018 -4.893 -7.360 19 HB VAL 11 HB VAL 11 -1.653 -2.441 -9.093 20 1HG1 VAL 11 1HG1 VAL 11 -3.810 -2.679 -9.799 21 2HG1 VAL 11 2HG1 VAL 11 -3.437 -4.397 -9.519 22 3HG1 VAL 11 3HG1 VAL 11 -4.336 -3.470 -8.294 23 1HG2 VAL 11 1HG2 VAL 11 -3.527 -2.228 -6.852 24 2HG2 VAL 11 2HG2 VAL 11 -1.845 -2.484 -6.327 25 3HG2 VAL 11 3HG2 VAL 11 -2.247 -1.112 -7.387 26 H ASP 12 HN ASP 12 0.761 -3.999 -9.401 27 HA ASP 12 HA ASP 12 -0.013 -5.254 -11.711 28 1HB ASP 12 2HB ASP 12 2.265 -3.955 -10.746 29 2HB ASP 12 3HB ASP 12 2.851 -5.585 -11.011 30 H ARG 13 HN ARG 13 1.399 -6.470 -8.647 31 HA ARG 13 HA ARG 13 2.202 -8.945 -9.555 32 1HB ARG 13 2HB ARG 13 2.012 -7.558 -7.056 33 2HB ARG 13 3HB ARG 13 1.192 -9.089 -6.819 34 1HG ARG 13 2HG ARG 13 3.235 -10.238 -7.854 35 2HG ARG 13 3HG ARG 13 4.045 -8.684 -7.826 36 1HD ARG 13 2HD ARG 13 2.832 -9.237 -5.219 37 2HD ARG 13 3HD ARG 13 3.870 -10.565 -5.699 38 HE ARG 13 HE ARG 13 5.075 -7.918 -6.113 39 1HH1 ARG 13 2HH2 ARG 13 4.613 -10.572 -3.849 40 2HH1 ARG 13 1HH2 ARG 13 6.003 -10.170 -2.896 41 1HH2 ARG 13 2HH1 ARG 13 6.908 -7.388 -4.857 42 2HH2 ARG 13 1HH1 ARG 13 7.317 -8.347 -3.474 43 H SER 14 HN SER 14 -0.964 -7.679 -8.446 44 HA SER 14 HA SER 14 -2.221 -10.118 -8.107 45 1HB SER 14 2HB SER 14 -2.968 -7.287 -8.283 46 2HB SER 14 3HB SER 14 -4.190 -8.309 -9.014 47 HG SER 14 HG SER 14 -4.229 -7.840 -6.559 48 H LEU 15 HN LEU 15 -1.716 -8.016 -10.984 49 HA LEU 15 HA LEU 15 -3.417 -9.514 -12.678 50 1HB LEU 15 2HB LEU 15 -1.218 -7.515 -13.197 51 2HB LEU 15 3HB LEU 15 -2.174 -8.246 -14.471 52 HG LEU 15 HG LEU 15 -3.970 -7.185 -12.504 53 1HD1 LEU 15 1HD1 LEU 15 -1.975 -5.136 -13.505 54 2HD1 LEU 15 2HD1 LEU 15 -3.414 -4.842 -12.498 55 3HD1 LEU 15 3HD1 LEU 15 -2.042 -5.768 -11.842 56 1HD2 LEU 15 1HD2 LEU 15 -3.330 -6.590 -15.392 57 2HD2 LEU 15 2HD2 LEU 15 -4.723 -7.462 -14.707 58 3HD2 LEU 15 3HD2 LEU 15 -4.584 -5.700 -14.496 59 H ARG 16 HN ARG 16 -0.370 -10.159 -11.242 60 HA ARG 16 HA ARG 16 0.514 -11.773 -13.440 61 1HB ARG 16 2HB ARG 16 1.684 -11.380 -10.638 62 2HB ARG 16 3HB ARG 16 2.475 -12.255 -11.934 63 1HG ARG 16 2HG ARG 16 1.829 -9.821 -13.151 64 2HG ARG 16 3HG ARG 16 2.228 -9.335 -11.516 65 1HD ARG 16 2HD ARG 16 4.022 -11.172 -13.169 66 2HD ARG 16 3HD ARG 16 4.196 -9.428 -13.171 67 HE ARG 16 HE ARG 16 4.915 -11.255 -10.993 68 1HH1 ARG 16 2HH2 ARG 16 4.121 -7.930 -11.829 69 2HH1 ARG 16 1HH2 ARG 16 4.919 -7.257 -10.447 70 1HH2 ARG 16 2HH1 ARG 16 5.968 -10.367 -9.169 71 2HH2 ARG 16 1HH1 ARG 16 5.976 -8.653 -8.923 72 H SER 17 HN SER 17 0.004 -12.326 -9.869 73 HA SER 17 HA SER 17 0.128 -14.919 -9.674 74 1HB SER 17 2HB SER 17 -2.012 -14.710 -8.123 75 2HB SER 17 3HB SER 17 -0.523 -13.890 -7.695 76 HG SER 17 HG SER 17 -2.294 -12.430 -7.521 77 H VAL 18 HN VAL 18 -0.679 -16.685 -10.747 78 HA VAL 18 HA VAL 18 -3.268 -16.332 -12.096 79 HB VAL 18 HB VAL 18 -1.162 -16.528 -13.506 80 1HG1 VAL 18 1HG1 VAL 18 -1.317 -19.471 -12.824 81 2HG1 VAL 18 2HG1 VAL 18 -0.071 -18.608 -13.758 82 3HG1 VAL 18 3HG1 VAL 18 -0.197 -18.360 -12.000 83 1HG2 VAL 18 1HG2 VAL 18 -2.258 -18.217 -15.065 84 2HG2 VAL 18 2HG2 VAL 18 -3.500 -18.428 -13.808 85 3HG2 VAL 18 3HG2 VAL 18 -3.262 -16.834 -14.566 86 H PHE 19 HN PHE 19 -4.893 -17.598 -11.357 87 HA PHE 19 HA PHE 19 -4.316 -19.491 -9.301 88 1HB PHE 19 2HB PHE 19 -6.357 -18.213 -9.123 89 2HB PHE 19 3HB PHE 19 -6.718 -18.395 -10.828 90 HD1 PHE 19 HD1 PHE 19 -7.206 -20.867 -11.605 91 HD2 PHE 19 HD2 PHE 19 -7.510 -19.511 -7.596 92 HE1 PHE 19 HE1 PHE 19 -8.743 -22.779 -11.075 93 HE2 PHE 19 HE2 PHE 19 -9.047 -21.423 -7.065 94 HZ PHE 19 HZ PHE 19 -9.645 -23.035 -8.811 95 H VAL 20 HN VAL 20 -4.587 -21.761 -9.343 96 HA VAL 20 HA VAL 20 -5.112 -22.919 -11.979 97 HB VAL 20 HB VAL 20 -2.817 -23.640 -10.146 98 1HG1 VAL 20 1HG1 VAL 20 -2.230 -25.355 -11.637 99 2HG1 VAL 20 2HG1 VAL 20 -3.997 -25.506 -11.483 100 3HG1 VAL 20 3HG1 VAL 20 -3.292 -24.731 -12.922 101 1HG2 VAL 20 1HG2 VAL 20 -1.988 -22.927 -12.792 102 2HG2 VAL 20 2HG2 VAL 20 -3.025 -21.628 -12.154 103 3HG2 VAL 20 3HG2 VAL 20 -1.584 -22.145 -11.245 104 H GLY 21 HN GLY 21 -6.470 -24.672 -11.915 105 1HA GLY 21 1HA GLY 21 -6.902 -25.974 -9.312 106 2HA GLY 21 2HA GLY 21 -8.265 -25.269 -10.159 107 H ASN 22 HN ASN 22 -8.923 -27.688 -9.977 108 HA ASN 22 HA ASN 22 -9.307 -29.606 -10.912 109 1HB ASN 22 2HB ASN 22 -9.502 -27.807 -12.959 110 2HB ASN 22 3HB ASN 22 -8.212 -28.803 -13.603 111 1HD2 ASN 22 1HD2 ASN 22 -8.612 -30.792 -14.370 112 2HD2 ASN 22 2HD2 ASN 22 -10.172 -31.540 -14.453 113 H ILE 23 HN ILE 23 -6.623 -29.123 -9.763 114 HA ILE 23 HA ILE 23 -4.865 -30.619 -11.546 115 HB ILE 23 HB ILE 23 -4.074 -29.452 -8.902 116 1HG1 ILE 23 2HG1 ILE 23 -4.238 -27.886 -11.493 117 2HG1 ILE 23 3HG1 ILE 23 -5.352 -27.711 -10.152 118 1HG2 ILE 23 1HG2 ILE 23 -2.736 -30.451 -11.354 119 2HG2 ILE 23 2HG2 ILE 23 -2.016 -29.020 -10.577 120 3HG2 ILE 23 3HG2 ILE 23 -2.230 -30.524 -9.649 121 1HD1 ILE 23 1HD1 ILE 23 -3.848 -26.054 -9.569 122 2HD1 ILE 23 2HD1 ILE 23 -3.045 -27.427 -8.770 123 3HD1 ILE 23 3HD1 ILE 23 -2.480 -26.870 -10.364 124 HA PRO 24 HA PRO 24 -5.756 -34.190 -9.237 125 1HB PRO 24 2HB PRO 24 -4.090 -35.914 -10.548 126 2HB PRO 24 3HB PRO 24 -5.697 -35.512 -11.121 127 1HG PRO 24 2HG PRO 24 -3.080 -34.592 -12.144 128 2HG PRO 24 3HG PRO 24 -4.643 -34.555 -12.936 129 1HD PRO 24 2HD PRO 24 -3.276 -32.339 -11.733 130 2HD PRO 24 3HD PRO 24 -4.888 -32.327 -12.421 131 H TYR 25 HN TYR 25 -4.847 -35.730 -7.715 132 HA TYR 25 HA TYR 25 -2.937 -34.450 -6.119 133 1HB TYR 25 2HB TYR 25 -4.253 -37.180 -6.432 134 2HB TYR 25 3HB TYR 25 -2.906 -37.063 -5.317 135 HD1 TYR 25 HD1 TYR 25 -3.409 -36.661 -3.092 136 HD2 TYR 25 HD2 TYR 25 -6.072 -35.193 -6.102 137 HE1 TYR 25 HE1 TYR 25 -4.983 -35.801 -1.290 138 HE2 TYR 25 HE2 TYR 25 -7.637 -34.338 -4.290 139 HH TYR 25 HH TYR 25 -7.193 -33.580 -1.740 140 H GLU 26 HN GLU 26 -2.559 -36.161 -9.066 141 HA GLU 26 HA GLU 26 0.051 -37.147 -8.339 142 1HB GLU 26 2HB GLU 26 -1.647 -38.427 -9.794 143 2HB GLU 26 3HB GLU 26 -1.287 -37.281 -11.070 144 1HG GLU 26 2HG GLU 26 0.289 -38.904 -11.586 145 2HG GLU 26 3HG GLU 26 1.250 -37.930 -10.491 146 H ALA 27 HN ALA 27 -1.354 -34.248 -9.408 147 HA ALA 27 HA ALA 27 1.092 -33.481 -10.842 148 1HB ALA 27 1HB ALA 27 -0.209 -31.928 -12.046 149 2HB ALA 27 2HB ALA 27 -1.268 -33.354 -11.924 150 3HB ALA 27 3HB ALA 27 -1.524 -31.960 -10.847 151 H THR 28 HN THR 28 2.453 -32.929 -9.124 152 HA THR 28 HA THR 28 1.391 -31.144 -7.080 153 HB THR 28 HB THR 28 3.769 -31.577 -6.152 154 HG1 THR 28 HG1 THR 28 4.629 -32.173 -8.286 155 1HG2 THR 28 1HG2 THR 28 3.068 -33.541 -5.148 156 2HG2 THR 28 2HG2 THR 28 1.522 -33.167 -5.948 157 3HG2 THR 28 3HG2 THR 28 2.666 -34.300 -6.708 158 H GLU 29 HN GLU 29 3.091 -29.362 -6.380 159 HA GLU 29 HA GLU 29 3.002 -27.480 -8.379 160 1HB GLU 29 2HB GLU 29 4.192 -27.715 -5.669 161 2HB GLU 29 3HB GLU 29 5.002 -26.554 -6.702 162 1HG GLU 29 2HG GLU 29 2.561 -25.713 -7.263 163 2HG GLU 29 3HG GLU 29 2.101 -26.581 -5.812 164 H GLU 30 HN GLU 30 5.430 -29.942 -7.597 165 HA GLU 30 HA GLU 30 7.594 -28.790 -8.868 166 1HB GLU 30 2HB GLU 30 7.185 -31.063 -7.421 167 2HB GLU 30 3HB GLU 30 7.284 -31.763 -9.025 168 1HG GLU 30 2HG GLU 30 9.462 -30.527 -9.387 169 2HG GLU 30 3HG GLU 30 9.372 -29.940 -7.738 170 H GLN 31 HN GLN 31 4.763 -30.567 -10.105 171 HA GLN 31 HA GLN 31 5.954 -30.736 -12.718 172 1HB GLN 31 2HB GLN 31 3.256 -31.631 -11.618 173 2HB GLN 31 3HB GLN 31 3.726 -31.837 -13.294 174 1HG GLN 31 2HG GLN 31 5.934 -32.846 -11.879 175 2HG GLN 31 3HG GLN 31 4.567 -33.365 -10.912 176 1HE2 GLN 31 1HE2 GLN 31 3.655 -35.191 -11.440 177 2HE2 GLN 31 2HE2 GLN 31 3.674 -35.968 -12.988 178 H LEU 32 HN LEU 32 3.243 -29.066 -11.012 179 HA LEU 32 HA LEU 32 2.172 -27.777 -13.219 180 1HB LEU 32 2HB LEU 32 2.269 -27.056 -10.293 181 2HB LEU 32 3HB LEU 32 1.377 -26.118 -11.474 182 HG LEU 32 HG LEU 32 -0.370 -27.441 -11.141 183 1HD1 LEU 32 1HD1 LEU 32 -0.369 -29.756 -12.009 184 2HD1 LEU 32 2HD1 LEU 32 0.354 -28.589 -13.142 185 3HD1 LEU 32 3HD1 LEU 32 1.400 -29.667 -12.187 186 1HD2 LEU 32 1HD2 LEU 32 1.267 -28.181 -9.045 187 2HD2 LEU 32 2HD2 LEU 32 -0.455 -28.592 -9.233 188 3HD2 LEU 32 3HD2 LEU 32 0.798 -29.740 -9.765 189 H LYS 33 HN LYS 33 4.783 -26.740 -10.932 190 HA LYS 33 HA LYS 33 5.209 -24.260 -12.141 191 1HB LYS 33 2HB LYS 33 6.016 -25.331 -9.860 192 2HB LYS 33 3HB LYS 33 7.429 -25.765 -10.800 193 1HG LYS 33 2HG LYS 33 8.081 -23.551 -11.123 194 2HG LYS 33 3HG LYS 33 6.437 -22.945 -11.096 195 1HD LYS 33 2HD LYS 33 6.849 -22.271 -8.964 196 2HD LYS 33 3HD LYS 33 6.749 -23.961 -8.510 197 1HE LYS 33 2HE LYS 33 9.054 -24.204 -8.337 198 2HE LYS 33 3HE LYS 33 9.385 -23.059 -9.622 199 1HZ LYS 33 1HZ LYS 33 8.376 -21.424 -7.874 200 2HZ LYS 33 2HZ LYS 33 8.895 -22.555 -6.817 201 3HZ LYS 33 3HZ LYS 33 9.955 -21.840 -7.833 202 H ASP 34 HN ASP 34 6.439 -27.554 -12.838 203 HA ASP 34 HA ASP 34 8.433 -26.756 -14.586 204 1HB ASP 34 2HB ASP 34 7.501 -29.150 -13.559 205 2HB ASP 34 3HB ASP 34 6.984 -29.283 -15.228 206 H ILE 35 HN ILE 35 4.916 -27.453 -14.942 207 HA ILE 35 HA ILE 35 4.896 -27.396 -17.765 208 HB ILE 35 HB ILE 35 2.683 -26.983 -15.752 209 1HG1 ILE 35 2HG1 ILE 35 3.017 -29.538 -17.237 210 2HG1 ILE 35 3HG1 ILE 35 4.192 -29.209 -15.979 211 1HG2 ILE 35 1HG2 ILE 35 2.696 -26.675 -18.596 212 2HG2 ILE 35 2HG2 ILE 35 1.740 -28.116 -18.176 213 3HG2 ILE 35 3HG2 ILE 35 1.337 -26.540 -17.455 214 1HD1 ILE 35 1HD1 ILE 35 1.507 -30.140 -15.667 215 2HD1 ILE 35 2HD1 ILE 35 2.681 -29.753 -14.386 216 3HD1 ILE 35 3HD1 ILE 35 1.569 -28.498 -14.983 217 H PHE 36 HN PHE 36 4.220 -24.947 -15.192 218 HA PHE 36 HA PHE 36 3.556 -22.915 -17.025 219 1HB PHE 36 2HB PHE 36 4.255 -23.290 -14.110 220 2HB PHE 36 3HB PHE 36 4.458 -21.660 -14.722 221 HD1 PHE 36 HD1 PHE 36 2.180 -21.525 -16.643 222 HD2 PHE 36 HD2 PHE 36 2.398 -23.102 -12.710 223 HE1 PHE 36 HE1 PHE 36 -0.275 -21.103 -16.338 224 HE2 PHE 36 HE2 PHE 36 -0.058 -22.680 -12.404 225 HZ PHE 36 HZ PHE 36 -1.365 -21.685 -14.222 226 H SER 37 HN SER 37 6.606 -24.211 -15.786 227 HA SER 37 HA SER 37 8.179 -21.976 -16.162 228 1HB SER 37 2HB SER 37 10.043 -23.460 -15.977 229 2HB SER 37 3HB SER 37 8.779 -24.167 -14.990 230 HG SER 37 HG SER 37 8.235 -25.454 -17.023 231 H GLU 38 HN GLU 38 7.096 -24.576 -18.402 232 HA GLU 38 HA GLU 38 8.767 -23.755 -20.504 233 1HB GLU 38 2HB GLU 38 7.887 -25.556 -21.625 234 2HB GLU 38 3HB GLU 38 7.342 -25.998 -20.019 235 1HG GLU 38 2HG GLU 38 5.155 -24.833 -20.461 236 2HG GLU 38 3HG GLU 38 5.702 -24.450 -22.081 237 H VAL 39 HN VAL 39 5.953 -22.391 -19.090 238 HA VAL 39 HA VAL 39 5.267 -21.019 -21.590 239 HB VAL 39 HB VAL 39 3.667 -21.010 -19.041 240 1HG1 VAL 39 1HG1 VAL 39 1.843 -20.910 -20.971 241 2HG1 VAL 39 2HG1 VAL 39 2.701 -19.450 -20.421 242 3HG1 VAL 39 3HG1 VAL 39 3.217 -20.279 -21.909 243 1HG2 VAL 39 1HG2 VAL 39 4.058 -23.241 -20.958 244 2HG2 VAL 39 2HG2 VAL 39 3.544 -23.263 -19.254 245 3HG2 VAL 39 3HG2 VAL 39 2.371 -22.866 -20.532 246 H GLY 40 HN GLY 40 7.455 -20.685 -19.233 247 1HA GLY 40 1HA GLY 40 8.390 -18.313 -19.451 248 2HA GLY 40 2HA GLY 40 6.884 -17.845 -18.687 249 HA PRO 41 HA PRO 41 10.023 -19.205 -15.535 250 1HB PRO 41 2HB PRO 41 11.137 -16.829 -14.772 251 2HB PRO 41 3HB PRO 41 11.896 -17.921 -15.913 252 1HG PRO 41 2HG PRO 41 10.503 -15.367 -16.438 253 2HG PRO 41 3HG PRO 41 11.615 -16.243 -17.471 254 1HD PRO 41 2HD PRO 41 8.760 -16.136 -17.725 255 2HD PRO 41 3HD PRO 41 9.862 -17.103 -18.684 256 H VAL 42 HN VAL 42 8.915 -19.824 -13.800 257 HA VAL 42 HA VAL 42 6.926 -17.951 -12.842 258 HB VAL 42 HB VAL 42 6.154 -19.805 -11.507 259 1HG1 VAL 42 1HG1 VAL 42 6.168 -21.582 -13.569 260 2HG1 VAL 42 2HG1 VAL 42 5.107 -20.156 -13.481 261 3HG1 VAL 42 3HG1 VAL 42 6.618 -20.084 -14.419 262 1HG2 VAL 42 1HG2 VAL 42 8.866 -20.760 -11.854 263 2HG2 VAL 42 2HG2 VAL 42 7.612 -21.293 -10.708 264 3HG2 VAL 42 3HG2 VAL 42 7.694 -22.011 -12.334 265 H VAL 43 HN VAL 43 7.178 -16.632 -11.103 266 HA VAL 43 HA VAL 43 9.728 -16.516 -9.856 267 HB VAL 43 HB VAL 43 7.102 -15.105 -9.360 268 1HG1 VAL 43 1HG1 VAL 43 9.823 -14.338 -8.260 269 2HG1 VAL 43 2HG1 VAL 43 8.255 -13.564 -7.927 270 3HG1 VAL 43 3HG1 VAL 43 8.582 -15.208 -7.327 271 1HG2 VAL 43 1HG2 VAL 43 9.617 -14.358 -10.877 272 2HG2 VAL 43 2HG2 VAL 43 7.959 -14.516 -11.504 273 3HG2 VAL 43 3HG2 VAL 43 8.372 -13.177 -10.407 274 H SER 44 HN SER 44 6.380 -17.263 -8.648 275 HA SER 44 HA SER 44 7.586 -19.166 -6.857 276 1HB SER 44 2HB SER 44 6.636 -16.554 -5.987 277 2HB SER 44 3HB SER 44 5.657 -17.812 -5.258 278 HG SER 44 HG SER 44 7.424 -18.668 -4.221 279 H PHE 45 HN PHE 45 5.731 -20.424 -5.654 280 HA PHE 45 HA PHE 45 3.157 -20.269 -6.892 281 1HB PHE 45 2HB PHE 45 4.928 -21.608 -8.393 282 2HB PHE 45 3HB PHE 45 4.765 -22.856 -7.174 283 HD1 PHE 45 HD1 PHE 45 1.670 -21.804 -6.886 284 HD2 PHE 45 HD2 PHE 45 4.115 -23.405 -9.963 285 HE1 PHE 45 HE1 PHE 45 -0.372 -22.680 -8.054 286 HE2 PHE 45 HE2 PHE 45 2.073 -24.281 -11.131 287 HZ PHE 45 HZ PHE 45 -0.146 -23.908 -10.162 288 H ARG 46 HN ARG 46 1.777 -20.625 -5.225 289 HA ARG 46 HA ARG 46 2.509 -22.745 -3.388 290 1HB ARG 46 2HB ARG 46 1.587 -19.928 -2.644 291 2HB ARG 46 3HB ARG 46 1.538 -21.263 -1.510 292 1HG ARG 46 2HG ARG 46 3.718 -20.901 -1.016 293 2HG ARG 46 3HG ARG 46 4.147 -21.327 -2.661 294 1HD ARG 46 2HD ARG 46 4.469 -19.138 -3.282 295 2HD ARG 46 3HD ARG 46 3.053 -18.579 -2.414 296 HE ARG 46 HE ARG 46 4.399 -18.105 -0.554 297 1HH1 ARG 46 2HH2 ARG 46 6.161 -20.206 -2.759 298 2HH1 ARG 46 1HH2 ARG 46 7.657 -20.072 -1.895 299 1HH2 ARG 46 2HH1 ARG 46 6.371 -17.928 0.587 300 2HH2 ARG 46 1HH1 ARG 46 7.777 -18.767 0.021 301 H LEU 47 HN LEU 47 0.771 -24.106 -2.911 302 HA LEU 47 HA LEU 47 -1.840 -23.212 -3.912 303 1HB LEU 47 2HB LEU 47 -1.241 -26.087 -3.450 304 2HB LEU 47 3HB LEU 47 -2.291 -25.327 -4.630 305 HG LEU 47 HG LEU 47 0.730 -25.509 -4.731 306 1HD1 LEU 47 1HD1 LEU 47 0.157 -27.530 -5.551 307 2HD1 LEU 47 2HD1 LEU 47 -1.501 -27.023 -5.957 308 3HD1 LEU 47 3HD1 LEU 47 -0.151 -26.599 -7.037 309 1HD2 LEU 47 1HD2 LEU 47 0.840 -24.081 -6.505 310 2HD2 LEU 47 2HD2 LEU 47 -0.839 -24.388 -7.009 311 3HD2 LEU 47 3HD2 LEU 47 -0.508 -23.335 -5.613 312 H VAL 48 HN VAL 48 -3.677 -24.594 -2.690 313 HA VAL 48 HA VAL 48 -3.316 -23.869 0.092 314 HB VAL 48 HB VAL 48 -5.786 -24.509 0.136 315 1HG1 VAL 48 1HG1 VAL 48 -6.098 -22.374 -1.619 316 2HG1 VAL 48 2HG1 VAL 48 -5.801 -22.269 0.133 317 3HG1 VAL 48 3HG1 VAL 48 -4.437 -22.182 -1.007 318 1HG2 VAL 48 1HG2 VAL 48 -5.263 -25.651 -2.303 319 2HG2 VAL 48 2HG2 VAL 48 -6.880 -25.204 -1.706 320 3HG2 VAL 48 3HG2 VAL 48 -5.988 -24.095 -2.776 321 H TYR 49 HN TYR 49 -2.714 -25.302 1.628 322 HA TYR 49 HA TYR 49 -3.258 -28.140 1.075 323 1HB TYR 49 2HB TYR 49 -0.799 -26.556 1.627 324 2HB TYR 49 3HB TYR 49 -0.994 -27.847 2.796 325 HD1 TYR 49 HD1 TYR 49 -1.081 -30.232 2.019 326 HD2 TYR 49 HD2 TYR 49 -0.146 -27.011 -0.637 327 HE1 TYR 49 HE1 TYR 49 -0.101 -31.882 0.351 328 HE2 TYR 49 HE2 TYR 49 0.831 -28.671 -2.295 329 HH TYR 49 HH TYR 49 1.030 -32.118 -1.491 330 H ASP 50 HN ASP 50 -4.617 -28.990 2.564 331 HA ASP 50 HA ASP 50 -5.267 -27.540 4.868 332 1HB ASP 50 2HB ASP 50 -5.933 -30.250 3.726 333 2HB ASP 50 3HB ASP 50 -6.304 -29.974 5.416 334 H ARG 51 HN ARG 51 -3.829 -27.397 6.605 335 HA ARG 51 HA ARG 51 -1.821 -29.329 6.958 336 1HB ARG 51 2HB ARG 51 -2.783 -26.926 8.560 337 2HB ARG 51 3HB ARG 51 -1.546 -27.981 9.213 338 1HG ARG 51 2HG ARG 51 -0.198 -27.628 7.091 339 2HG ARG 51 3HG ARG 51 -1.405 -26.474 6.559 340 1HD ARG 51 2HD ARG 51 -0.136 -26.126 9.290 341 2HD ARG 51 3HD ARG 51 0.758 -25.639 7.864 342 HE ARG 51 HE ARG 51 -0.790 -23.889 7.485 343 1HH1 ARG 51 2HH2 ARG 51 -1.924 -26.004 10.059 344 2HH1 ARG 51 1HH2 ARG 51 -3.176 -24.922 10.570 345 1HH2 ARG 51 2HH1 ARG 51 -2.442 -22.461 8.160 346 2HH2 ARG 51 1HH1 ARG 51 -3.472 -22.893 9.483 347 H GLU 52 HN GLU 52 -5.083 -28.771 8.248 348 HA GLU 52 HA GLU 52 -4.765 -30.395 10.522 349 1HB GLU 52 2HB GLU 52 -7.042 -29.075 9.081 350 2HB GLU 52 3HB GLU 52 -7.450 -30.402 10.150 351 1HG GLU 52 2HG GLU 52 -6.285 -29.297 12.033 352 2HG GLU 52 3HG GLU 52 -5.743 -28.007 10.977 353 H THR 53 HN THR 53 -5.588 -30.951 7.110 354 HA THR 53 HA THR 53 -6.110 -33.779 7.740 355 HB THR 53 HB THR 53 -7.497 -33.797 5.787 356 HG1 THR 53 HG1 THR 53 -7.266 -31.742 4.390 357 1HG2 THR 53 1HG2 THR 53 -8.106 -31.937 7.717 358 2HG2 THR 53 2HG2 THR 53 -7.938 -30.878 6.296 359 3HG2 THR 53 3HG2 THR 53 -9.117 -32.212 6.278 360 H GLY 54 HN GLY 54 -3.629 -31.728 6.878 361 1HA GLY 54 1HA GLY 54 -1.664 -32.001 5.814 362 2HA GLY 54 2HA GLY 54 -1.798 -33.678 6.303 363 H LYS 55 HN LYS 55 -4.347 -32.408 4.236 364 HA LYS 55 HA LYS 55 -3.099 -33.790 1.961 365 1HB LYS 55 2HB LYS 55 -5.066 -34.837 1.437 366 2HB LYS 55 3HB LYS 55 -5.195 -34.805 3.184 367 1HG LYS 55 2HG LYS 55 -6.365 -32.438 2.739 368 2HG LYS 55 3HG LYS 55 -6.643 -33.109 1.144 369 1HD LYS 55 2HD LYS 55 -7.639 -35.176 2.302 370 2HD LYS 55 3HD LYS 55 -7.550 -34.285 3.809 371 1HE LYS 55 2HE LYS 55 -9.294 -32.877 3.245 372 2HE LYS 55 3HE LYS 55 -8.836 -32.806 1.555 373 1HZ LYS 55 1HZ LYS 55 -9.586 -35.384 1.965 374 2HZ LYS 55 2HZ LYS 55 -10.682 -34.521 2.815 375 3HZ LYS 55 3HZ LYS 55 -10.469 -34.227 1.223 376 HA PRO 56 HA PRO 56 -3.528 -30.016 -0.096 377 1HB PRO 56 2HB PRO 56 -3.270 -30.833 -2.691 378 2HB PRO 56 3HB PRO 56 -1.903 -30.589 -1.623 379 1HG PRO 56 2HG PRO 56 -3.117 -33.127 -2.530 380 2HG PRO 56 3HG PRO 56 -1.533 -32.856 -1.830 381 1HD PRO 56 2HD PRO 56 -3.827 -33.959 -0.508 382 2HD PRO 56 3HD PRO 56 -2.279 -33.581 0.221 383 H LYS 57 HN LYS 57 -5.058 -28.595 -0.769 384 HA LYS 57 HA LYS 57 -7.673 -29.536 -0.797 385 1HB LYS 57 2HB LYS 57 -6.275 -27.009 -1.062 386 2HB LYS 57 3HB LYS 57 -7.625 -27.081 -2.177 387 1HG LYS 57 2HG LYS 57 -7.832 -27.762 0.794 388 2HG LYS 57 3HG LYS 57 -8.224 -26.192 0.122 389 1HD LYS 57 2HD LYS 57 -10.299 -26.923 -0.418 390 2HD LYS 57 3HD LYS 57 -9.609 -28.149 -1.463 391 1HE LYS 57 2HE LYS 57 -9.203 -29.483 0.788 392 2HE LYS 57 3HE LYS 57 -10.393 -28.385 1.459 393 1HZ LYS 57 1HZ LYS 57 -11.879 -29.058 -0.349 394 2HZ LYS 57 2HZ LYS 57 -10.779 -30.155 -0.854 395 3HZ LYS 57 3HZ LYS 57 -11.469 -30.308 0.618 396 H GLY 58 HN GLY 58 -5.612 -28.389 -3.566 397 1HA GLY 58 1HA GLY 58 -5.745 -30.171 -5.411 398 2HA GLY 58 2HA GLY 58 -7.455 -29.791 -5.386 399 H TYR 59 HN TYR 59 -6.544 -26.878 -4.531 400 HA TYR 59 HA TYR 59 -5.754 -26.028 -7.235 401 1HB TYR 59 2HB TYR 59 -7.321 -24.070 -6.732 402 2HB TYR 59 3HB TYR 59 -8.168 -25.603 -6.790 403 HD1 TYR 59 HD1 TYR 59 -7.207 -22.781 -4.708 404 HD2 TYR 59 HD2 TYR 59 -8.889 -26.715 -4.663 405 HE1 TYR 59 HE1 TYR 59 -8.134 -22.366 -2.377 406 HE2 TYR 59 HE2 TYR 59 -9.810 -26.287 -2.332 407 HH TYR 59 HH TYR 59 -9.398 -23.120 -0.785 408 H GLY 60 HN GLY 60 -4.640 -23.920 -7.320 409 1HA GLY 60 1HA GLY 60 -3.695 -22.779 -4.840 410 2HA GLY 60 2HA GLY 60 -2.475 -23.673 -5.724 411 H PHE 61 HN PHE 61 -1.658 -21.237 -5.608 412 HA PHE 61 HA PHE 61 -2.464 -20.030 -8.153 413 1HB PHE 61 2HB PHE 61 -1.772 -18.664 -5.481 414 2HB PHE 61 3HB PHE 61 -2.162 -17.811 -6.961 415 HD1 PHE 61 HD1 PHE 61 -3.547 -19.998 -4.329 416 HD2 PHE 61 HD2 PHE 61 -4.420 -17.461 -7.617 417 HE1 PHE 61 HE1 PHE 61 -5.977 -20.019 -3.700 418 HE2 PHE 61 HE2 PHE 61 -6.850 -17.482 -6.988 419 HZ PHE 61 HZ PHE 61 -7.599 -18.761 -5.037 420 H CYS 62 HN CYS 62 -0.776 -19.307 -9.443 421 HA CYS 62 HA CYS 62 1.887 -19.656 -8.271 422 1HB CYS 62 2HB CYS 62 1.633 -21.322 -9.939 423 2HB CYS 62 3HB CYS 62 0.867 -20.215 -11.062 424 HG CYS 62 HG CYS 62 3.692 -21.104 -11.123 425 H GLU 63 HN GLU 63 3.093 -17.787 -8.133 426 HA GLU 63 HA GLU 63 2.014 -15.477 -9.515 427 1HB GLU 63 2HB GLU 63 2.252 -14.955 -7.236 428 2HB GLU 63 3HB GLU 63 3.734 -15.874 -7.066 429 1HG GLU 63 2HG GLU 63 5.065 -14.181 -8.001 430 2HG GLU 63 3HG GLU 63 3.749 -13.516 -8.948 431 H TYR 64 HN TYR 64 3.007 -14.681 -11.320 432 HA TYR 64 HA TYR 64 5.581 -15.827 -12.040 433 1HB TYR 64 2HB TYR 64 3.179 -14.492 -13.268 434 2HB TYR 64 3HB TYR 64 4.695 -14.052 -14.030 435 HD1 TYR 64 HD1 TYR 64 2.046 -16.370 -14.044 436 HD2 TYR 64 HD2 TYR 64 6.276 -16.113 -14.639 437 HE1 TYR 64 HE1 TYR 64 1.992 -18.516 -15.407 438 HE2 TYR 64 HE2 TYR 64 6.207 -18.260 -16.000 439 HH TYR 64 HH TYR 64 4.728 -20.268 -16.118 440 H GLN 65 HN GLN 65 6.596 -13.804 -13.698 441 HA GLN 65 HA GLN 65 7.233 -11.792 -11.686 442 1HB GLN 65 2HB GLN 65 8.968 -13.528 -12.919 443 2HB GLN 65 3HB GLN 65 9.076 -12.154 -14.001 444 1HG GLN 65 2HG GLN 65 9.165 -10.954 -11.474 445 2HG GLN 65 3HG GLN 65 10.059 -12.441 -11.225 446 1HE2 GLN 65 1HE2 GLN 65 12.110 -12.478 -11.745 447 2HE2 GLN 65 2HE2 GLN 65 12.943 -11.382 -12.795 448 H ASP 66 HN ASP 66 5.633 -12.389 -14.647 449 HA ASP 66 HA ASP 66 5.511 -9.535 -15.095 450 1HB ASP 66 2HB ASP 66 5.496 -11.084 -17.609 451 2HB ASP 66 3HB ASP 66 6.328 -9.588 -17.232 452 H GLN 67 HN GLN 67 3.364 -8.917 -15.599 453 HA GLN 67 HA GLN 67 1.335 -10.713 -15.189 454 1HB GLN 67 2HB GLN 67 0.941 -8.357 -14.891 455 2HB GLN 67 3HB GLN 67 1.402 -7.991 -16.542 456 1HG GLN 67 2HG GLN 67 -0.579 -9.472 -17.287 457 2HG GLN 67 3HG GLN 67 -1.090 -9.481 -15.611 458 1HE2 GLN 67 1HE2 GLN 67 -0.358 -6.919 -14.834 459 2HE2 GLN 67 2HE2 GLN 67 -1.349 -5.747 -15.636 460 H GLU 68 HN GLU 68 3.011 -9.721 -18.186 461 HA GLU 68 HA GLU 68 1.157 -10.724 -19.974 462 1HB GLU 68 2HB GLU 68 2.928 -9.242 -20.713 463 2HB GLU 68 3HB GLU 68 4.172 -10.349 -20.167 464 1HG GLU 68 2HG GLU 68 3.323 -12.056 -21.834 465 2HG GLU 68 3HG GLU 68 2.176 -10.869 -22.421 466 H THR 69 HN THR 69 3.800 -12.274 -18.121 467 HA THR 69 HA THR 69 3.729 -14.727 -19.548 468 HB THR 69 HB THR 69 4.724 -13.991 -16.744 469 HG1 THR 69 HG1 THR 69 6.632 -13.534 -17.964 470 1HG2 THR 69 1HG2 THR 69 4.521 -16.517 -17.348 471 2HG2 THR 69 2HG2 THR 69 5.734 -16.186 -18.608 472 3HG2 THR 69 3HG2 THR 69 6.140 -15.934 -16.893 473 H ALA 70 HN ALA 70 2.089 -13.502 -16.588 474 HA ALA 70 HA ALA 70 0.916 -15.975 -15.940 475 1HB ALA 70 1HB ALA 70 -0.705 -14.322 -14.702 476 2HB ALA 70 2HB ALA 70 0.999 -14.417 -14.199 477 3HB ALA 70 3HB ALA 70 0.450 -13.077 -15.234 478 H LEU 71 HN LEU 71 -0.062 -13.203 -18.014 479 HA LEU 71 HA LEU 71 -2.668 -14.218 -18.483 480 1HB LEU 71 2HB LEU 71 -0.982 -11.977 -19.406 481 2HB LEU 71 3HB LEU 71 -2.179 -12.535 -20.557 482 HG LEU 71 HG LEU 71 -2.858 -11.777 -17.707 483 1HD1 LEU 71 1HD1 LEU 71 -3.070 -9.593 -18.225 484 2HD1 LEU 71 2HD1 LEU 71 -1.854 -9.986 -19.463 485 3HD1 LEU 71 3HD1 LEU 71 -3.579 -9.922 -19.899 486 1HD2 LEU 71 1HD2 LEU 71 -4.830 -12.665 -18.204 487 2HD2 LEU 71 2HD2 LEU 71 -5.044 -11.378 -19.415 488 3HD2 LEU 71 3HD2 LEU 71 -4.345 -12.943 -19.894 489 H SER 72 HN SER 72 0.479 -14.335 -20.257 490 HA SER 72 HA SER 72 -0.523 -15.635 -22.478 491 1HB SER 72 2HB SER 72 1.690 -14.558 -22.428 492 2HB SER 72 3HB SER 72 2.259 -15.704 -21.230 493 HG SER 72 HG SER 72 2.989 -16.639 -23.067 494 H ALA 73 HN ALA 73 0.670 -16.821 -19.303 495 HA ALA 73 HA ALA 73 0.750 -19.545 -20.015 496 1HB ALA 73 1HB ALA 73 1.900 -18.414 -18.065 497 2HB ALA 73 2HB ALA 73 0.312 -18.319 -17.266 498 3HB ALA 73 3HB ALA 73 1.023 -19.906 -17.646 499 H MET 74 HN MET 74 -1.788 -17.344 -18.751 500 HA MET 74 HA MET 74 -3.608 -19.332 -18.101 501 1HB MET 74 2HB MET 74 -3.457 -16.465 -18.177 502 2HB MET 74 3HB MET 74 -4.884 -16.888 -19.103 503 1HG MET 74 2HG MET 74 -5.327 -18.533 -17.016 504 2HG MET 74 3HG MET 74 -4.301 -17.382 -16.183 505 1HE MET 74 1HE MET 74 -4.737 -14.805 -17.711 506 2HE MET 74 2HE MET 74 -6.170 -14.000 -17.027 507 3HE MET 74 3HE MET 74 -4.942 -14.702 -15.946 508 H ARG 75 HN ARG 75 -3.114 -17.420 -21.136 509 HA ARG 75 HA ARG 75 -5.275 -18.728 -22.407 510 1HB ARG 75 2HB ARG 75 -3.883 -16.384 -22.856 511 2HB ARG 75 3HB ARG 75 -3.188 -17.409 -24.095 512 1HG ARG 75 2HG ARG 75 -6.160 -17.566 -23.855 513 2HG ARG 75 3HG ARG 75 -5.544 -16.012 -24.382 514 1HD ARG 75 2HD ARG 75 -4.174 -17.235 -26.154 515 2HD ARG 75 3HD ARG 75 -4.976 -18.719 -25.683 516 HE ARG 75 HE ARG 75 -6.893 -18.013 -26.822 517 1HH1 ARG 75 2HH2 ARG 75 -4.827 -15.228 -26.224 518 2HH1 ARG 75 1HH2 ARG 75 -5.794 -14.147 -27.170 519 1HH2 ARG 75 2HH1 ARG 75 -8.169 -16.587 -28.071 520 2HH2 ARG 75 1HH1 ARG 75 -7.708 -14.925 -28.228 521 H ASN 76 HN ASN 76 -1.840 -19.311 -21.923 522 HA ASN 76 HA ASN 76 -1.480 -20.924 -24.200 523 1HB ASN 76 2HB ASN 76 0.052 -20.277 -21.690 524 2HB ASN 76 3HB ASN 76 0.489 -21.770 -22.496 525 1HD2 ASN 76 1HD2 ASN 76 1.576 -18.875 -22.161 526 2HD2 ASN 76 2HD2 ASN 76 2.153 -18.456 -23.740 527 H LEU 77 HN LEU 77 -2.448 -21.376 -20.772 528 HA LEU 77 HA LEU 77 -2.635 -24.265 -21.225 529 1HB LEU 77 2HB LEU 77 -2.361 -22.562 -18.765 530 2HB LEU 77 3HB LEU 77 -2.983 -24.197 -18.664 531 HG LEU 77 HG LEU 77 -0.871 -25.001 -19.768 532 1HD1 LEU 77 1HD1 LEU 77 0.511 -23.554 -20.720 533 2HD1 LEU 77 2HD1 LEU 77 -0.456 -22.187 -20.116 534 3HD1 LEU 77 3HD1 LEU 77 0.860 -22.855 -19.121 535 1HD2 LEU 77 1HD2 LEU 77 0.521 -24.141 -17.583 536 2HD2 LEU 77 2HD2 LEU 77 -1.161 -23.888 -17.058 537 3HD2 LEU 77 3HD2 LEU 77 -0.629 -25.499 -17.596 538 H ASN 78 HN ASN 78 -4.492 -22.442 -18.797 539 HA ASN 78 HA ASN 78 -6.650 -22.668 -18.366 540 1HB ASN 78 2HB ASN 78 -6.768 -20.534 -19.412 541 2HB ASN 78 3HB ASN 78 -6.414 -21.182 -21.001 542 1HD2 ASN 78 1HD2 ASN 78 -8.176 -20.173 -21.919 543 2HD2 ASN 78 2HD2 ASN 78 -9.809 -20.704 -21.690 544 H GLY 79 HN GLY 79 -6.843 -25.061 -18.520 545 1HA GLY 79 1HA GLY 79 -8.307 -26.718 -19.205 546 2HA GLY 79 2HA GLY 79 -8.587 -25.877 -20.717 547 H ARG 80 HN ARG 80 -5.334 -26.480 -19.326 548 HA ARG 80 HA ARG 80 -4.704 -27.902 -21.741 549 1HB ARG 80 2HB ARG 80 -3.129 -26.169 -20.998 550 2HB ARG 80 3HB ARG 80 -2.994 -26.901 -19.411 551 1HG ARG 80 2HG ARG 80 -1.062 -27.719 -20.458 552 2HG ARG 80 3HG ARG 80 -2.182 -29.040 -20.728 553 1HD ARG 80 2HD ARG 80 -2.520 -27.130 -22.875 554 2HD ARG 80 3HD ARG 80 -0.806 -27.446 -22.696 555 HE ARG 80 HE ARG 80 -1.818 -29.981 -22.602 556 1HH1 ARG 80 2HH2 ARG 80 -2.426 -27.312 -24.813 557 2HH1 ARG 80 1HH2 ARG 80 -2.782 -28.341 -26.160 558 1HH2 ARG 80 2HH1 ARG 80 -2.288 -31.339 -24.379 559 2HH2 ARG 80 1HH1 ARG 80 -2.703 -30.647 -25.911 560 H GLU 81 HN GLU 81 -4.720 -30.128 -21.826 561 HA GLU 81 HA GLU 81 -5.314 -31.614 -19.543 562 1HB GLU 81 2HB GLU 81 -4.198 -32.650 -22.184 563 2HB GLU 81 3HB GLU 81 -5.130 -33.562 -21.013 564 1HG GLU 81 2HG GLU 81 -7.138 -32.623 -21.662 565 2HG GLU 81 3HG GLU 81 -6.429 -31.049 -21.966 566 H PHE 82 HN PHE 82 -4.034 -32.953 -18.211 567 HA PHE 82 HA PHE 82 -1.407 -33.657 -18.759 568 1HB PHE 82 2HB PHE 82 -1.050 -31.173 -18.523 569 2HB PHE 82 3HB PHE 82 -1.875 -31.191 -16.977 570 HD1 PHE 82 HD1 PHE 82 1.250 -31.763 -18.697 571 HD2 PHE 82 HD2 PHE 82 -0.803 -32.318 -15.025 572 HE1 PHE 82 HE1 PHE 82 3.438 -32.163 -17.534 573 HE2 PHE 82 HE2 PHE 82 1.385 -32.718 -13.862 574 HZ PHE 82 HZ PHE 82 3.479 -32.636 -15.131 575 H SER 83 HN SER 83 -1.172 -35.477 -17.555 576 HA SER 83 HA SER 83 -1.053 -36.708 -15.727 577 1HB SER 83 2HB SER 83 -1.141 -34.424 -14.428 578 2HB SER 83 3HB SER 83 -2.821 -34.828 -14.135 579 HG SER 83 HG SER 83 -0.521 -36.437 -13.414 580 H GLY 84 HN GLY 84 -3.328 -36.289 -17.813 581 1HA GLY 84 1HA GLY 84 -5.052 -37.689 -18.358 582 2HA GLY 84 2HA GLY 84 -5.065 -38.339 -16.730 583 H ARG 85 HN ARG 85 -4.934 -34.938 -16.543 584 HA ARG 85 HA ARG 85 -7.840 -34.810 -16.468 585 1HB ARG 85 2HB ARG 85 -6.251 -34.732 -14.217 586 2HB ARG 85 3HB ARG 85 -6.322 -33.024 -14.603 587 1HG ARG 85 2HG ARG 85 -8.536 -32.854 -14.033 588 2HG ARG 85 3HG ARG 85 -8.955 -34.367 -14.811 589 1HD ARG 85 2HD ARG 85 -7.329 -35.061 -12.561 590 2HD ARG 85 3HD ARG 85 -8.458 -33.849 -11.989 591 HE ARG 85 HE ARG 85 -10.122 -35.469 -12.114 592 1HH1 ARG 85 2HH2 ARG 85 -7.640 -36.253 -14.482 593 2HH1 ARG 85 1HH2 ARG 85 -8.421 -37.707 -15.008 594 1HH2 ARG 85 2HH1 ARG 85 -11.153 -37.386 -12.808 595 2HH2 ARG 85 1HH1 ARG 85 -10.433 -38.356 -14.049 596 H ALA 86 HN ALA 86 -7.619 -31.918 -15.563 597 HA ALA 86 HA ALA 86 -6.434 -30.755 -17.983 598 1HB ALA 86 1HB ALA 86 -9.219 -30.399 -16.842 599 2HB ALA 86 2HB ALA 86 -8.470 -29.166 -17.884 600 3HB ALA 86 3HB ALA 86 -8.743 -30.811 -18.507 601 H LEU 87 HN LEU 87 -5.561 -28.640 -17.707 602 HA LEU 87 HA LEU 87 -5.225 -27.933 -14.879 603 1HB LEU 87 2HB LEU 87 -3.403 -28.179 -17.122 604 2HB LEU 87 3HB LEU 87 -3.314 -26.583 -16.403 605 HG LEU 87 HG LEU 87 -3.284 -28.834 -14.477 606 1HD1 LEU 87 1HD1 LEU 87 -1.643 -30.027 -15.367 607 2HD1 LEU 87 2HD1 LEU 87 -1.589 -28.946 -16.780 608 3HD1 LEU 87 3HD1 LEU 87 -0.595 -28.589 -15.347 609 1HD2 LEU 87 1HD2 LEU 87 -2.725 -26.119 -14.428 610 2HD2 LEU 87 2HD2 LEU 87 -2.341 -27.307 -13.158 611 3HD2 LEU 87 3HD2 LEU 87 -1.119 -26.884 -14.381 612 H ARG 88 HN ARG 88 -6.974 -26.589 -14.491 613 HA ARG 88 HA ARG 88 -7.663 -24.644 -16.445 614 1HB ARG 88 2HB ARG 88 -8.668 -25.354 -13.664 615 2HB ARG 88 3HB ARG 88 -9.215 -23.881 -14.439 616 1HG ARG 88 2HG ARG 88 -9.879 -25.307 -16.465 617 2HG ARG 88 3HG ARG 88 -9.527 -26.726 -15.499 618 1HD ARG 88 2HD ARG 88 -11.285 -26.247 -13.937 619 2HD ARG 88 3HD ARG 88 -11.426 -24.583 -14.469 620 HE ARG 88 HE ARG 88 -12.752 -26.859 -15.642 621 1HH1 ARG 88 2HH2 ARG 88 -11.241 -23.802 -16.510 622 2HH1 ARG 88 1HH2 ARG 88 -12.183 -23.599 -17.950 623 1HH2 ARG 88 2HH1 ARG 88 -13.994 -26.592 -17.541 624 2HH2 ARG 88 1HH1 ARG 88 -13.760 -25.197 -18.540 625 H VAL 89 HN VAL 89 -6.944 -22.518 -16.524 626 HA VAL 89 HA VAL 89 -5.565 -21.512 -14.135 627 HB VAL 89 HB VAL 89 -4.748 -21.179 -17.028 628 1HG1 VAL 89 1HG1 VAL 89 -4.362 -19.216 -15.423 629 2HG1 VAL 89 2HG1 VAL 89 -3.194 -20.274 -14.597 630 3HG1 VAL 89 3HG1 VAL 89 -2.947 -19.838 -16.305 631 1HG2 VAL 89 1HG2 VAL 89 -2.623 -22.316 -15.698 632 2HG2 VAL 89 2HG2 VAL 89 -4.019 -23.126 -14.946 633 3HG2 VAL 89 3HG2 VAL 89 -3.796 -23.192 -16.710 634 H ASP 90 HN ASP 90 -6.261 -19.539 -13.433 635 HA ASP 90 HA ASP 90 -7.719 -17.926 -15.351 636 1HB ASP 90 2HB ASP 90 -8.972 -17.614 -12.785 637 2HB ASP 90 3HB ASP 90 -9.695 -18.186 -14.275 638 H ASN 91 HN ASN 91 -7.803 -15.594 -14.641 639 HA ASN 91 HA ASN 91 -5.415 -14.758 -13.573 640 1HB ASN 91 2HB ASN 91 -7.693 -13.572 -14.761 641 2HB ASN 91 3HB ASN 91 -7.616 -12.826 -13.177 642 1HD2 ASN 91 1HD2 ASN 91 -5.924 -11.518 -12.611 643 2HD2 ASN 91 2HD2 ASN 91 -4.751 -10.912 -13.732 644 H ALA 92 HN ALA 92 -4.735 -14.641 -11.424 645 HA ALA 92 HA ALA 92 -6.378 -15.500 -9.333 646 1HB ALA 92 1HB ALA 92 -3.848 -15.574 -9.494 647 2HB ALA 92 2HB ALA 92 -3.844 -13.831 -9.135 648 3HB ALA 92 3HB ALA 92 -4.484 -14.984 -7.940 649 H ALA 93 HN ALA 93 -6.250 -12.512 -11.034 650 HA ALA 93 HA ALA 93 -7.173 -10.969 -8.751 651 1HB ALA 93 1HB ALA 93 -5.590 -10.380 -10.929 652 2HB ALA 93 2HB ALA 93 -7.171 -9.741 -11.440 653 3HB ALA 93 3HB ALA 93 -6.430 -9.175 -9.923 654 H SER 94 HN SER 94 -8.679 -13.321 -10.020 655 HA SER 94 HA SER 94 -10.860 -12.062 -11.339 656 1HB SER 94 2HB SER 94 -10.051 -14.421 -11.791 657 2HB SER 94 3HB SER 94 -10.661 -14.891 -10.217 658 HG SER 94 HG SER 94 -12.397 -13.570 -12.089 659 H GLU 95 HN GLU 95 -13.086 -11.976 -10.513 660 HA GLU 95 HA GLU 95 -13.158 -11.157 -7.838 661 1HB GLU 95 2HB GLU 95 -14.637 -10.441 -9.869 662 2HB GLU 95 3HB GLU 95 -15.604 -11.853 -9.495 663 1HG GLU 95 2HG GLU 95 -15.324 -10.712 -6.985 664 2HG GLU 95 3HG GLU 95 -15.346 -9.288 -8.007 665 H LYS 96 HN LYS 96 -13.840 -14.211 -9.526 666 HA LYS 96 HA LYS 96 -15.189 -15.347 -7.254 667 1HB LYS 96 2HB LYS 96 -15.532 -17.236 -8.613 668 2HB LYS 96 3HB LYS 96 -15.690 -15.861 -9.688 669 1HG LYS 96 2HG LYS 96 -13.315 -16.167 -10.425 670 2HG LYS 96 3HG LYS 96 -13.161 -17.545 -9.354 671 1HD LYS 96 2HD LYS 96 -14.320 -18.937 -10.762 672 2HD LYS 96 3HD LYS 96 -15.517 -17.717 -11.148 673 1HE LYS 96 2HE LYS 96 -14.017 -16.653 -12.764 674 2HE LYS 96 3HE LYS 96 -12.677 -17.667 -12.267 675 1HZ LYS 96 1HZ LYS 96 -15.000 -18.371 -13.848 676 2HZ LYS 96 2HZ LYS 96 -13.437 -18.794 -14.055 677 3HZ LYS 96 3HZ LYS 96 -14.338 -19.536 -12.913 678 H ASN 97 HN ASN 97 -11.916 -15.236 -8.669 679 HA ASN 97 HA ASN 97 -10.930 -17.343 -7.102 680 1HB ASN 97 2HB ASN 97 -9.572 -15.018 -8.555 681 2HB ASN 97 3HB ASN 97 -8.661 -16.272 -7.738 682 1HD2 ASN 97 1HD2 ASN 97 -7.729 -16.851 -9.716 683 2HD2 ASN 97 2HD2 ASN 97 -8.564 -17.809 -10.892 684 H LYS 98 HN LYS 98 -11.730 -13.988 -6.547 685 HA LYS 98 HA LYS 98 -9.832 -13.362 -4.577 686 1HB LYS 98 2HB LYS 98 -11.217 -11.731 -5.860 687 2HB LYS 98 3HB LYS 98 -12.625 -12.245 -4.954 688 1HG LYS 98 2HG LYS 98 -10.765 -11.750 -2.931 689 2HG LYS 98 3HG LYS 98 -10.374 -10.513 -4.110 690 1HD LYS 98 2HD LYS 98 -13.285 -10.956 -3.454 691 2HD LYS 98 3HD LYS 98 -12.293 -10.150 -2.255 692 1HE LYS 98 2HE LYS 98 -12.040 -8.248 -3.537 693 2HE LYS 98 3HE LYS 98 -11.921 -9.144 -5.038 694 1HZ LYS 98 1HZ LYS 98 -14.141 -7.871 -3.999 695 2HZ LYS 98 2HZ LYS 98 -14.032 -8.709 -5.395 696 3HZ LYS 98 3HZ LYS 98 -14.486 -9.467 -4.022 697 H GLU 99 HN GLU 99 -12.892 -15.176 -4.567 698 HA GLU 99 HA GLU 99 -13.252 -15.085 -1.798 699 1HB GLU 99 2HB GLU 99 -14.502 -16.335 -4.106 700 2HB GLU 99 3HB GLU 99 -14.378 -17.503 -2.805 701 1HG GLU 99 2HG GLU 99 -15.856 -16.365 -1.450 702 2HG GLU 99 3HG GLU 99 -15.269 -14.790 -1.947 703 H GLU 100 HN GLU 100 -11.533 -17.338 -4.019 704 HA GLU 100 HA GLU 100 -10.967 -19.198 -1.985 705 1HB GLU 100 2HB GLU 100 -9.863 -18.731 -4.778 706 2HB GLU 100 3HB GLU 100 -9.232 -19.999 -3.746 707 1HG GLU 100 2HG GLU 100 -11.311 -21.169 -3.694 708 2HG GLU 100 3HG GLU 100 -12.222 -19.766 -4.215 709 H LEU 101 HN LEU 101 -9.202 -16.433 -3.484 710 HA LEU 101 HA LEU 101 -6.772 -16.891 -2.168 711 1HB LEU 101 2HB LEU 101 -8.061 -14.566 -3.545 712 2HB LEU 101 3HB LEU 101 -6.584 -14.320 -2.636 713 HG LEU 101 HG LEU 101 -6.292 -16.610 -4.377 714 1HD1 LEU 101 1HD1 LEU 101 -6.266 -14.915 -6.456 715 2HD1 LEU 101 2HD1 LEU 101 -7.670 -15.927 -6.038 716 3HD1 LEU 101 3HD1 LEU 101 -7.622 -14.220 -5.536 717 1HD2 LEU 101 1HD2 LEU 101 -4.539 -14.786 -5.311 718 2HD2 LEU 101 2HD2 LEU 101 -4.884 -14.089 -3.710 719 3HD2 LEU 101 3HD2 LEU 101 -4.273 -15.756 -3.842 720 H LYS 102 HN LYS 102 -9.829 -15.344 -1.203 721 HA LYS 102 HA LYS 102 -8.917 -13.877 0.953 722 1HB LYS 102 2HB LYS 102 -11.140 -13.589 0.118 723 2HB LYS 102 3HB LYS 102 -11.550 -15.267 0.415 724 1HG LYS 102 2HG LYS 102 -10.904 -14.689 2.930 725 2HG LYS 102 3HG LYS 102 -11.157 -13.031 2.421 726 1HD LYS 102 2HD LYS 102 -13.446 -13.324 2.088 727 2HD LYS 102 3HD LYS 102 -13.281 -15.014 1.654 728 1HE LYS 102 2HE LYS 102 -12.889 -15.639 4.003 729 2HE LYS 102 3HE LYS 102 -12.855 -13.955 4.487 730 1HZ LYS 102 1HZ LYS 102 -15.013 -14.199 4.799 731 2HZ LYS 102 2HZ LYS 102 -15.204 -14.216 3.177 732 3HZ LYS 102 3HZ LYS 102 -15.088 -15.621 4.000 733 H SER 103 HN SER 103 -9.286 -17.365 0.505 734 HA SER 103 HA SER 103 -9.086 -17.842 3.321 735 1HB SER 103 2HB SER 103 -9.004 -19.776 0.962 736 2HB SER 103 3HB SER 103 -9.117 -20.246 2.646 737 HG SER 103 HG SER 103 -11.096 -19.244 0.924 738 H LEU 104 HN LEU 104 -7.037 -17.820 0.396 739 HA LEU 104 HA LEU 104 -4.827 -19.071 1.733 740 1HB LEU 104 2HB LEU 104 -5.552 -19.029 -0.804 741 2HB LEU 104 3HB LEU 104 -4.582 -17.570 -0.837 742 HG LEU 104 HG LEU 104 -2.598 -18.744 -0.243 743 1HD1 LEU 104 1HD1 LEU 104 -2.973 -20.272 1.394 744 2HD1 LEU 104 2HD1 LEU 104 -4.484 -20.862 0.661 745 3HD1 LEU 104 3HD1 LEU 104 -2.913 -21.383 0.005 746 1HD2 LEU 104 1HD2 LEU 104 -2.654 -20.674 -2.002 747 2HD2 LEU 104 2HD2 LEU 104 -4.271 -20.031 -2.376 748 3HD2 LEU 104 3HD2 LEU 104 -2.840 -18.983 -2.524 749 H GLY 105 HN GLY 105 -6.300 -16.160 2.186 750 1HA GLY 105 1HA GLY 105 -4.013 -14.415 2.146 751 2HA GLY 105 2HA GLY 105 -5.616 -14.072 2.765 752 H THR 106 HN THR 106 -6.189 -15.615 4.811 753 HA THR 106 HA THR 106 -3.991 -15.141 6.682 754 HB THR 106 HB THR 106 -6.356 -14.192 7.002 755 HG1 THR 106 HG1 THR 106 -6.296 -15.151 9.292 756 1HG2 THR 106 1HG2 THR 106 -6.987 -17.056 7.854 757 2HG2 THR 106 2HG2 THR 106 -8.099 -15.668 7.781 758 3HG2 THR 106 3HG2 THR 106 -7.502 -16.410 6.277 759 H GLY 107 HN GLY 107 -2.761 -16.716 7.502 760 1HA GLY 107 1HA GLY 107 -3.628 -19.242 8.234 761 2HA GLY 107 2HA GLY 107 -3.063 -19.384 6.581 762 H ALA 108 HN ALA 108 -1.169 -20.575 6.977 763 HA ALA 108 HA ALA 108 1.061 -19.039 7.864 764 1HB ALA 108 1HB ALA 108 0.992 -21.480 9.483 765 2HB ALA 108 2HB ALA 108 1.340 -19.803 9.967 766 3HB ALA 108 3HB ALA 108 -0.344 -20.372 9.878 767 HA PRO 109 HA PRO 109 2.973 -21.916 5.264 768 1HB PRO 109 2HB PRO 109 5.558 -21.947 6.149 769 2HB PRO 109 3HB PRO 109 4.906 -20.672 5.139 770 1HG PRO 109 2HG PRO 109 5.508 -20.620 8.033 771 2HG PRO 109 3HG PRO 109 5.269 -19.273 6.937 772 1HD PRO 109 2HD PRO 109 3.392 -20.274 8.861 773 2HD PRO 109 3HD PRO 109 3.112 -19.004 7.687 774 H VAL 110 HN VAL 110 4.145 -24.006 4.965 775 HA VAL 110 HA VAL 110 3.951 -25.598 7.407 776 HB VAL 110 HB VAL 110 1.824 -25.766 6.130 777 1HG1 VAL 110 1HG1 VAL 110 2.594 -27.522 4.042 778 2HG1 VAL 110 2HG1 VAL 110 1.861 -25.906 3.905 779 3HG1 VAL 110 3HG1 VAL 110 3.632 -26.082 3.912 780 1HG2 VAL 110 1HG2 VAL 110 2.838 -27.613 7.571 781 2HG2 VAL 110 2HG2 VAL 110 1.606 -28.110 6.386 782 3HG2 VAL 110 3HG2 VAL 110 3.330 -28.390 6.047 783 H ILE 111 HN ILE 111 5.310 -27.508 7.373 784 HA ILE 111 HA ILE 111 7.199 -27.562 5.137 785 HB ILE 111 HB ILE 111 8.124 -26.228 7.005 786 1HG1 ILE 111 2HG1 ILE 111 9.827 -28.660 6.966 787 2HG1 ILE 111 3HG1 ILE 111 9.366 -28.024 5.399 788 1HG2 ILE 111 1HG2 ILE 111 8.921 -27.622 9.011 789 2HG2 ILE 111 2HG2 ILE 111 7.213 -27.122 8.962 790 3HG2 ILE 111 3HG2 ILE 111 7.665 -28.788 8.528 791 1HD1 ILE 111 1HD1 ILE 111 10.558 -26.307 7.622 792 2HD1 ILE 111 2HD1 ILE 111 11.514 -27.049 6.316 793 3HD1 ILE 111 3HD1 ILE 111 10.278 -25.827 5.931 Start of MODEL 7 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.354 -0.287 -2.012 3 1HB ASP 8 2HB ASP 8 2.013 2.136 -1.078 4 2HB ASP 8 3HB ASP 8 3.630 1.462 -1.061 5 HA PRO 9 HA PRO 9 4.629 -3.028 -0.262 6 1HB PRO 9 2HB PRO 9 3.445 -5.450 -0.708 7 2HB PRO 9 3HB PRO 9 3.355 -4.608 0.826 8 1HG PRO 9 2HG PRO 9 1.271 -4.905 -1.249 9 2HG PRO 9 3HG PRO 9 1.088 -4.453 0.435 10 1HD PRO 9 2HD PRO 9 0.991 -2.700 -1.834 11 2HD PRO 9 3HD PRO 9 0.924 -2.234 -0.146 12 H ALA 10 HN ALA 10 5.224 -5.446 -1.501 13 HA ALA 10 HA ALA 10 5.249 -4.786 -4.330 14 1HB ALA 10 1HB ALA 10 7.816 -5.370 -4.200 15 2HB ALA 10 2HB ALA 10 7.263 -3.716 -3.845 16 3HB ALA 10 3HB ALA 10 7.654 -4.828 -2.512 17 H VAL 11 HN VAL 11 3.659 -6.644 -3.983 18 HA VAL 11 HA VAL 11 4.693 -9.149 -3.162 19 HB VAL 11 HB VAL 11 2.253 -8.506 -4.829 20 1HG1 VAL 11 1HG1 VAL 11 1.946 -10.716 -4.865 21 2HG1 VAL 11 2HG1 VAL 11 3.377 -10.978 -3.840 22 3HG1 VAL 11 3HG1 VAL 11 1.789 -10.683 -3.092 23 1HG2 VAL 11 1HG2 VAL 11 2.804 -8.249 -1.895 24 2HG2 VAL 11 2HG2 VAL 11 1.817 -7.228 -2.968 25 3HG2 VAL 11 3HG2 VAL 11 1.194 -8.801 -2.417 26 H ASP 12 HN ASP 12 4.497 -7.353 -6.233 27 HA ASP 12 HA ASP 12 4.855 -9.454 -7.954 28 1HB ASP 12 2HB ASP 12 4.588 -6.762 -8.220 29 2HB ASP 12 3HB ASP 12 6.316 -6.879 -8.490 30 H ARG 13 HN ARG 13 7.199 -7.413 -6.101 31 HA ARG 13 HA ARG 13 9.477 -8.472 -7.284 32 1HB ARG 13 2HB ARG 13 8.989 -6.394 -5.590 33 2HB ARG 13 3HB ARG 13 9.587 -7.552 -4.419 34 1HG ARG 13 2HG ARG 13 11.678 -7.837 -5.677 35 2HG ARG 13 3HG ARG 13 11.072 -6.852 -6.994 36 1HD ARG 13 2HD ARG 13 10.770 -5.002 -5.105 37 2HD ARG 13 3HD ARG 13 11.919 -5.981 -4.216 38 HE ARG 13 HE ARG 13 12.489 -4.327 -6.545 39 1HH1 ARG 13 2HH2 ARG 13 13.516 -7.198 -4.788 40 2HH1 ARG 13 1HH2 ARG 13 15.145 -7.129 -5.373 41 1HH2 ARG 13 2HH1 ARG 13 14.638 -4.236 -7.317 42 2HH2 ARG 13 1HH1 ARG 13 15.787 -5.433 -6.821 43 H SER 14 HN SER 14 7.542 -9.357 -4.374 44 HA SER 14 HA SER 14 9.345 -11.208 -3.365 45 1HB SER 14 2HB SER 14 6.734 -10.229 -2.740 46 2HB SER 14 3HB SER 14 6.598 -11.974 -2.811 47 HG SER 14 HG SER 14 8.194 -12.197 -1.217 48 H LEU 15 HN LEU 15 6.872 -11.345 -5.925 49 HA LEU 15 HA LEU 15 6.744 -14.168 -6.062 50 1HB LEU 15 2HB LEU 15 5.883 -11.883 -7.797 51 2HB LEU 15 3HB LEU 15 5.847 -13.517 -8.431 52 HG LEU 15 HG LEU 15 3.812 -12.282 -7.075 53 1HD1 LEU 15 1HD1 LEU 15 4.138 -14.564 -8.467 54 2HD1 LEU 15 2HD1 LEU 15 3.884 -15.236 -6.839 55 3HD1 LEU 15 3HD1 LEU 15 2.661 -14.163 -7.560 56 1HD2 LEU 15 1HD2 LEU 15 5.177 -12.454 -4.969 57 2HD2 LEU 15 2HD2 LEU 15 3.565 -13.205 -4.896 58 3HD2 LEU 15 3HD2 LEU 15 5.013 -14.223 -5.088 59 H ARG 16 HN ARG 16 9.125 -11.820 -6.963 60 HA ARG 16 HA ARG 16 10.232 -13.638 -8.922 61 1HB ARG 16 2HB ARG 16 11.014 -10.785 -8.137 62 2HB ARG 16 3HB ARG 16 11.832 -11.716 -9.376 63 1HG ARG 16 2HG ARG 16 9.830 -11.814 -10.752 64 2HG ARG 16 3HG ARG 16 8.831 -11.184 -9.457 65 1HD ARG 16 2HD ARG 16 9.426 -9.459 -11.212 66 2HD ARG 16 3HD ARG 16 9.889 -8.995 -9.587 67 HE ARG 16 HE ARG 16 12.045 -10.414 -10.907 68 1HH1 ARG 16 2HH2 ARG 16 10.451 -7.282 -10.732 69 2HH1 ARG 16 1HH2 ARG 16 11.851 -6.398 -11.242 70 1HH2 ARG 16 2HH1 ARG 16 13.893 -9.249 -11.579 71 2HH2 ARG 16 1HH1 ARG 16 13.822 -7.524 -11.726 72 H SER 17 HN SER 17 10.378 -14.819 -6.482 73 HA SER 17 HA SER 17 13.162 -14.939 -6.055 74 1HB SER 17 2HB SER 17 11.400 -13.668 -3.930 75 2HB SER 17 3HB SER 17 12.901 -14.468 -3.510 76 HG SER 17 HG SER 17 14.085 -12.907 -4.499 77 H VAL 18 HN VAL 18 13.574 -17.085 -5.638 78 HA VAL 18 HA VAL 18 11.402 -18.611 -4.373 79 HB VAL 18 HB VAL 18 12.742 -20.479 -5.778 80 1HG1 VAL 18 1HG1 VAL 18 10.272 -19.935 -5.713 81 2HG1 VAL 18 2HG1 VAL 18 10.569 -18.779 -7.034 82 3HG1 VAL 18 3HG1 VAL 18 10.888 -20.513 -7.280 83 1HG2 VAL 18 1HG2 VAL 18 12.778 -18.067 -7.614 84 2HG2 VAL 18 2HG2 VAL 18 14.217 -18.681 -6.765 85 3HG2 VAL 18 3HG2 VAL 18 13.376 -19.709 -7.950 86 H PHE 19 HN PHE 19 11.931 -19.574 -2.476 87 HA PHE 19 HA PHE 19 14.600 -19.268 -1.511 88 1HB PHE 19 2HB PHE 19 12.591 -19.025 -0.065 89 2HB PHE 19 3HB PHE 19 12.015 -20.613 -0.533 90 HD1 PHE 19 HD1 PHE 19 15.394 -19.500 0.596 91 HD2 PHE 19 HD2 PHE 19 11.987 -21.904 1.386 92 HE1 PHE 19 HE1 PHE 19 16.563 -20.508 2.575 93 HE2 PHE 19 HE2 PHE 19 13.156 -22.912 3.365 94 HZ PHE 19 HZ PHE 19 15.431 -22.202 3.936 95 H VAL 20 HN VAL 20 16.243 -20.749 -1.488 96 HA VAL 20 HA VAL 20 15.517 -23.501 -2.224 97 HB VAL 20 HB VAL 20 18.157 -22.260 -2.915 98 1HG1 VAL 20 1HG1 VAL 20 16.499 -24.408 -4.279 99 2HG1 VAL 20 2HG1 VAL 20 18.170 -23.935 -4.669 100 3HG1 VAL 20 3HG1 VAL 20 17.806 -24.714 -3.110 101 1HG2 VAL 20 1HG2 VAL 20 16.839 -22.022 -5.269 102 2HG2 VAL 20 2HG2 VAL 20 15.525 -21.625 -4.135 103 3HG2 VAL 20 3HG2 VAL 20 17.038 -20.688 -4.108 104 H GLY 21 HN GLY 21 16.276 -25.103 -0.890 105 1HA GLY 21 1HA GLY 21 18.319 -24.346 1.099 106 2HA GLY 21 2HA GLY 21 16.806 -25.072 1.604 107 H ASN 22 HN ASN 22 18.416 -26.737 2.494 108 HA ASN 22 HA ASN 22 19.393 -28.674 2.429 109 1HB ASN 22 2HB ASN 22 16.991 -29.062 1.237 110 2HB ASN 22 3HB ASN 22 18.002 -29.482 -0.132 111 1HD2 ASN 22 1HD2 ASN 22 20.121 -30.725 0.849 112 2HD2 ASN 22 2HD2 ASN 22 19.712 -32.168 1.716 113 H ILE 23 HN ILE 23 20.620 -26.441 0.865 114 HA ILE 23 HA ILE 23 21.821 -27.859 -1.387 115 HB ILE 23 HB ILE 23 22.361 -24.994 -0.762 116 1HG1 ILE 23 2HG1 ILE 23 19.765 -26.007 -1.959 117 2HG1 ILE 23 3HG1 ILE 23 19.945 -25.193 -0.417 118 1HG2 ILE 23 1HG2 ILE 23 23.502 -25.451 -2.655 119 2HG2 ILE 23 2HG2 ILE 23 22.455 -26.822 -3.092 120 3HG2 ILE 23 3HG2 ILE 23 21.922 -25.156 -3.418 121 1HD1 ILE 23 1HD1 ILE 23 19.688 -24.025 -3.049 122 2HD1 ILE 23 2HD1 ILE 23 19.748 -23.203 -1.472 123 3HD1 ILE 23 3HD1 ILE 23 21.255 -23.545 -2.355 124 HA PRO 24 HA PRO 24 25.200 -28.558 1.305 125 1HB PRO 24 2HB PRO 24 26.546 -30.304 -0.309 126 2HB PRO 24 3HB PRO 24 25.282 -30.802 0.797 127 1HG PRO 24 2HG PRO 24 25.168 -30.527 -2.144 128 2HG PRO 24 3HG PRO 24 24.089 -31.409 -1.081 129 1HD PRO 24 2HD PRO 24 23.586 -28.869 -2.316 130 2HD PRO 24 3HD PRO 24 22.558 -29.696 -1.163 131 H TYR 25 HN TYR 25 27.720 -28.609 1.073 132 HA TYR 25 HA TYR 25 28.328 -26.058 -0.028 133 1HB TYR 25 2HB TYR 25 29.767 -28.443 1.245 134 2HB TYR 25 3HB TYR 25 30.720 -27.123 0.597 135 HD1 TYR 25 HD1 TYR 25 31.623 -25.970 2.408 136 HD2 TYR 25 HD2 TYR 25 27.497 -27.096 2.518 137 HE1 TYR 25 HE1 TYR 25 31.325 -24.693 4.586 138 HE2 TYR 25 HE2 TYR 25 27.213 -25.815 4.697 139 HH TYR 25 HH TYR 25 29.791 -24.819 6.549 140 H GLU 26 HN GLU 26 27.811 -29.015 -1.528 141 HA GLU 26 HA GLU 26 30.000 -28.716 -3.382 142 1HB GLU 26 2HB GLU 26 28.848 -30.943 -2.368 143 2HB GLU 26 3HB GLU 26 27.842 -30.765 -3.792 144 1HG GLU 26 2HG GLU 26 30.040 -30.522 -5.141 145 2HG GLU 26 3HG GLU 26 30.875 -31.051 -3.694 146 H ALA 27 HN ALA 27 26.869 -27.481 -2.936 147 HA ALA 27 HA ALA 27 26.561 -27.077 -5.834 148 1HB ALA 27 1HB ALA 27 24.232 -27.182 -5.573 149 2HB ALA 27 2HB ALA 27 24.807 -28.446 -4.459 150 3HB ALA 27 3HB ALA 27 24.314 -26.857 -3.825 151 H THR 28 HN THR 28 27.704 -25.158 -6.090 152 HA THR 28 HA THR 28 27.180 -23.001 -4.202 153 HB THR 28 HB THR 28 29.001 -21.932 -5.765 154 HG1 THR 28 HG1 THR 28 28.874 -23.397 -7.518 155 1HG2 THR 28 1HG2 THR 28 30.596 -24.077 -4.904 156 2HG2 THR 28 2HG2 THR 28 30.244 -22.611 -3.958 157 3HG2 THR 28 3HG2 THR 28 29.252 -24.072 -3.737 158 H GLU 29 HN GLU 29 27.036 -20.721 -5.342 159 HA GLU 29 HA GLU 29 24.537 -20.652 -6.483 160 1HB GLU 29 2HB GLU 29 26.765 -18.718 -6.032 161 2HB GLU 29 3HB GLU 29 25.608 -18.253 -7.264 162 1HG GLU 29 2HG GLU 29 23.753 -18.785 -5.554 163 2HG GLU 29 3HG GLU 29 25.018 -18.932 -4.350 164 H GLU 30 HN GLU 30 27.763 -21.005 -7.926 165 HA GLU 30 HA GLU 30 27.077 -20.245 -10.507 166 1HB GLU 30 2HB GLU 30 29.317 -21.619 -9.154 167 2HB GLU 30 3HB GLU 30 29.089 -22.151 -10.809 168 1HG GLU 30 2HG GLU 30 29.523 -20.026 -11.708 169 2HG GLU 30 3HG GLU 30 29.003 -19.186 -10.261 170 H GLN 31 HN GLN 31 26.657 -23.266 -8.667 171 HA GLN 31 HA GLN 31 25.954 -24.717 -11.032 172 1HB GLN 31 2HB GLN 31 25.972 -25.427 -8.072 173 2HB GLN 31 3HB GLN 31 25.412 -26.542 -9.302 174 1HG GLN 31 2HG GLN 31 27.835 -25.711 -10.372 175 2HG GLN 31 3HG GLN 31 28.183 -25.675 -8.655 176 1HE2 GLN 31 1HE2 GLN 31 29.076 -27.447 -7.960 177 2HE2 GLN 31 2HE2 GLN 31 28.737 -29.070 -8.461 178 H LEU 32 HN LEU 32 24.339 -23.329 -8.115 179 HA LEU 32 HA LEU 32 21.791 -24.308 -8.650 180 1HB LEU 32 2HB LEU 32 22.944 -22.070 -7.048 181 2HB LEU 32 3HB LEU 32 21.213 -22.092 -7.321 182 HG LEU 32 HG LEU 32 22.812 -24.333 -6.052 183 1HD1 LEU 32 1HD1 LEU 32 22.067 -21.895 -4.929 184 2HD1 LEU 32 2HD1 LEU 32 20.828 -23.043 -4.367 185 3HD1 LEU 32 3HD1 LEU 32 22.551 -23.373 -4.064 186 1HD2 LEU 32 1HD2 LEU 32 19.903 -24.040 -6.754 187 2HD2 LEU 32 2HD2 LEU 32 21.001 -25.418 -7.007 188 3HD2 LEU 32 3HD2 LEU 32 20.408 -25.041 -5.371 189 H LYS 33 HN LYS 33 23.396 -21.206 -9.611 190 HA LYS 33 HA LYS 33 21.210 -20.136 -10.939 191 1HB LYS 33 2HB LYS 33 23.557 -19.156 -10.258 192 2HB LYS 33 3HB LYS 33 24.022 -19.650 -11.874 193 1HG LYS 33 2HG LYS 33 22.313 -18.270 -12.895 194 2HG LYS 33 3HG LYS 33 21.516 -17.994 -11.358 195 1HD LYS 33 2HD LYS 33 22.755 -16.110 -11.124 196 2HD LYS 33 3HD LYS 33 24.172 -17.123 -10.931 197 1HE LYS 33 2HE LYS 33 24.945 -16.672 -13.046 198 2HE LYS 33 3HE LYS 33 23.350 -16.793 -13.763 199 1HZ LYS 33 1HZ LYS 33 23.104 -14.616 -13.631 200 2HZ LYS 33 2HZ LYS 33 23.590 -14.532 -12.074 201 3HZ LYS 33 3HZ LYS 33 24.695 -14.507 -13.277 202 H ASP 34 HN ASP 34 23.689 -22.513 -11.958 203 HA ASP 34 HA ASP 34 23.030 -22.440 -14.657 204 1HB ASP 34 2HB ASP 34 24.907 -23.730 -13.058 205 2HB ASP 34 3HB ASP 34 23.888 -25.066 -13.557 206 H ILE 35 HN ILE 35 21.801 -24.228 -11.794 207 HA ILE 35 HA ILE 35 20.250 -26.091 -13.243 208 HB ILE 35 HB ILE 35 20.079 -25.117 -10.390 209 1HG1 ILE 35 2HG1 ILE 35 21.190 -27.781 -11.146 210 2HG1 ILE 35 3HG1 ILE 35 22.184 -26.375 -11.473 211 1HG2 ILE 35 1HG2 ILE 35 17.961 -26.083 -11.008 212 2HG2 ILE 35 2HG2 ILE 35 18.766 -27.491 -11.740 213 3HG2 ILE 35 3HG2 ILE 35 18.847 -27.234 -9.980 214 1HD1 ILE 35 1HD1 ILE 35 22.007 -27.676 -9.026 215 2HD1 ILE 35 2HD1 ILE 35 22.618 -26.020 -9.263 216 3HD1 ILE 35 3HD1 ILE 35 20.919 -26.285 -8.801 217 H PHE 36 HN PHE 36 19.529 -22.922 -11.649 218 HA PHE 36 HA PHE 36 16.803 -22.977 -12.370 219 1HB PHE 36 2HB PHE 36 18.898 -21.044 -11.342 220 2HB PHE 36 3HB PHE 36 17.441 -20.326 -11.999 221 HD1 PHE 36 HD1 PHE 36 15.412 -22.319 -11.111 222 HD2 PHE 36 HD2 PHE 36 18.718 -20.632 -9.054 223 HE1 PHE 36 HE1 PHE 36 14.241 -22.693 -8.922 224 HE2 PHE 36 HE2 PHE 36 17.548 -21.006 -6.865 225 HZ PHE 36 HZ PHE 36 15.323 -22.032 -6.825 226 H SER 37 HN SER 37 19.786 -22.012 -14.022 227 HA SER 37 HA SER 37 18.669 -20.253 -15.837 228 1HB SER 37 2HB SER 37 20.892 -20.088 -16.214 229 2HB SER 37 3HB SER 37 21.196 -21.624 -15.427 230 HG SER 37 HG SER 37 20.889 -21.027 -18.176 231 H GLU 38 HN GLU 38 18.789 -23.813 -15.676 232 HA GLU 38 HA GLU 38 18.097 -24.226 -18.364 233 1HB GLU 38 2HB GLU 38 19.076 -26.100 -17.374 234 2HB GLU 38 3HB GLU 38 18.207 -25.900 -15.865 235 1HG GLU 38 2HG GLU 38 17.314 -27.848 -17.062 236 2HG GLU 38 3HG GLU 38 16.086 -26.601 -16.991 237 H VAL 39 HN VAL 39 16.351 -22.999 -15.681 238 HA VAL 39 HA VAL 39 13.801 -23.886 -16.826 239 HB VAL 39 HB VAL 39 14.405 -22.648 -14.133 240 1HG1 VAL 39 1HG1 VAL 39 11.966 -22.957 -15.540 241 2HG1 VAL 39 2HG1 VAL 39 11.973 -24.187 -14.254 242 3HG1 VAL 39 3HG1 VAL 39 12.202 -22.470 -13.844 243 1HG2 VAL 39 1HG2 VAL 39 15.254 -24.659 -13.613 244 2HG2 VAL 39 2HG2 VAL 39 13.576 -25.249 -13.688 245 3HG2 VAL 39 3HG2 VAL 39 14.638 -25.404 -15.108 246 H GLY 40 HN GLY 40 16.026 -21.442 -17.137 247 1HA GLY 40 1HA GLY 40 14.943 -19.728 -18.711 248 2HA GLY 40 2HA GLY 40 14.005 -19.304 -17.292 249 HA PRO 41 HA PRO 41 18.060 -17.097 -17.230 250 1HB PRO 41 2HB PRO 41 17.266 -14.579 -17.936 251 2HB PRO 41 3HB PRO 41 17.963 -15.718 -19.071 252 1HG PRO 41 2HG PRO 41 15.141 -14.890 -18.774 253 2HG PRO 41 3HG PRO 41 15.917 -15.674 -20.136 254 1HD PRO 41 2HD PRO 41 14.206 -16.908 -18.192 255 2HD PRO 41 3HD PRO 41 15.075 -17.712 -19.484 256 H VAL 42 HN VAL 42 18.691 -16.850 -15.190 257 HA VAL 42 HA VAL 42 16.689 -15.847 -13.362 258 HB VAL 42 HB VAL 42 18.106 -16.619 -11.662 259 1HG1 VAL 42 1HG1 VAL 42 18.802 -18.940 -12.484 260 2HG1 VAL 42 2HG1 VAL 42 17.094 -18.487 -12.701 261 3HG1 VAL 42 3HG1 VAL 42 18.212 -18.430 -14.084 262 1HG2 VAL 42 1HG2 VAL 42 20.474 -17.520 -12.982 263 2HG2 VAL 42 2HG2 VAL 42 20.213 -15.813 -13.415 264 3HG2 VAL 42 3HG2 VAL 42 20.310 -16.292 -11.703 265 H VAL 43 HN VAL 43 16.948 -13.962 -12.043 266 HA VAL 43 HA VAL 43 18.397 -11.883 -13.418 267 HB VAL 43 HB VAL 43 16.312 -12.087 -11.300 268 1HG1 VAL 43 1HG1 VAL 43 16.557 -9.644 -10.812 269 2HG1 VAL 43 2HG1 VAL 43 17.888 -10.645 -10.183 270 3HG1 VAL 43 3HG1 VAL 43 18.122 -9.677 -11.659 271 1HG2 VAL 43 1HG2 VAL 43 16.053 -9.874 -13.123 272 2HG2 VAL 43 2HG2 VAL 43 16.447 -11.351 -14.034 273 3HG2 VAL 43 3HG2 VAL 43 15.031 -11.321 -12.956 274 H SER 44 HN SER 44 18.356 -13.436 -10.141 275 HA SER 44 HA SER 44 21.147 -13.205 -9.968 276 1HB SER 44 2HB SER 44 19.612 -10.946 -9.011 277 2HB SER 44 3HB SER 44 20.346 -11.742 -7.633 278 HG SER 44 HG SER 44 21.665 -10.044 -8.767 279 H PHE 45 HN PHE 45 21.886 -13.950 -7.654 280 HA PHE 45 HA PHE 45 19.819 -15.378 -6.220 281 1HB PHE 45 2HB PHE 45 20.994 -16.706 -8.254 282 2HB PHE 45 3HB PHE 45 22.343 -16.826 -7.142 283 HD1 PHE 45 HD1 PHE 45 20.575 -19.062 -8.355 284 HD2 PHE 45 HD2 PHE 45 20.536 -17.050 -4.619 285 HE1 PHE 45 HE1 PHE 45 19.515 -21.069 -7.285 286 HE2 PHE 45 HE2 PHE 45 19.475 -19.057 -3.549 287 HZ PHE 45 HZ PHE 45 18.977 -21.043 -4.895 288 H ARG 46 HN ARG 46 20.176 -14.912 -4.107 289 HA ARG 46 HA ARG 46 22.969 -14.718 -3.309 290 1HB ARG 46 2HB ARG 46 20.629 -12.901 -2.728 291 2HB ARG 46 3HB ARG 46 21.817 -13.115 -1.458 292 1HG ARG 46 2HG ARG 46 23.475 -12.703 -3.616 293 2HG ARG 46 3HG ARG 46 22.088 -11.746 -4.099 294 1HD ARG 46 2HD ARG 46 23.217 -11.478 -1.291 295 2HD ARG 46 3HD ARG 46 23.969 -10.627 -2.626 296 HE ARG 46 HE ARG 46 21.405 -9.998 -1.393 297 1HH1 ARG 46 2HH2 ARG 46 23.239 -9.787 -4.389 298 2HH1 ARG 46 1HH2 ARG 46 22.346 -8.429 -4.989 299 1HH2 ARG 46 2HH1 ARG 46 20.227 -8.207 -2.184 300 2HH2 ARG 46 1HH1 ARG 46 20.622 -7.524 -3.726 301 H LEU 47 HN LEU 47 23.532 -15.944 -1.493 302 HA LEU 47 HA LEU 47 21.289 -17.201 -0.068 303 1HB LEU 47 2HB LEU 47 23.890 -18.588 -0.107 304 2HB LEU 47 3HB LEU 47 22.259 -19.226 -0.174 305 HG LEU 47 HG LEU 47 23.485 -17.822 -2.546 306 1HD1 LEU 47 1HD1 LEU 47 25.091 -19.430 -2.411 307 2HD1 LEU 47 2HD1 LEU 47 24.051 -20.562 -1.514 308 3HD1 LEU 47 3HD1 LEU 47 23.837 -20.357 -3.269 309 1HD2 LEU 47 1HD2 LEU 47 21.889 -19.347 -3.766 310 2HD2 LEU 47 2HD2 LEU 47 21.204 -19.773 -2.179 311 3HD2 LEU 47 3HD2 LEU 47 21.136 -18.090 -2.755 312 H VAL 48 HN VAL 48 22.114 -18.048 2.193 313 HA VAL 48 HA VAL 48 23.237 -15.714 3.479 314 HB VAL 48 HB VAL 48 22.694 -17.146 5.538 315 1HG1 VAL 48 1HG1 VAL 48 20.951 -15.759 5.597 316 2HG1 VAL 48 2HG1 VAL 48 21.100 -15.493 3.844 317 3HG1 VAL 48 3HG1 VAL 48 20.065 -16.804 4.461 318 1HG2 VAL 48 1HG2 VAL 48 22.414 -19.178 3.742 319 2HG2 VAL 48 2HG2 VAL 48 21.665 -19.149 5.356 320 3HG2 VAL 48 3HG2 VAL 48 20.722 -18.656 3.929 321 H TYR 49 HN TYR 49 25.359 -15.498 3.957 322 HA TYR 49 HA TYR 49 26.921 -17.981 4.190 323 1HB TYR 49 2HB TYR 49 27.100 -15.537 2.497 324 2HB TYR 49 3HB TYR 49 28.580 -15.794 3.400 325 HD1 TYR 49 HD1 TYR 49 30.147 -17.458 2.746 326 HD2 TYR 49 HD2 TYR 49 26.254 -17.391 0.973 327 HE1 TYR 49 HE1 TYR 49 30.895 -19.168 1.021 328 HE2 TYR 49 HE2 TYR 49 27.015 -19.102 -0.746 329 HH TYR 49 HH TYR 49 29.443 -19.686 -1.749 330 H ASP 50 HN ASP 50 27.743 -18.228 6.202 331 HA ASP 50 HA ASP 50 27.603 -16.133 8.050 332 1HB ASP 50 2HB ASP 50 29.008 -18.839 8.076 333 2HB ASP 50 3HB ASP 50 29.015 -17.770 9.464 334 H ARG 51 HN ARG 51 29.013 -14.371 7.927 335 HA ARG 51 HA ARG 51 31.482 -14.606 6.610 336 1HB ARG 51 2HB ARG 51 30.165 -12.417 8.272 337 2HB ARG 51 3HB ARG 51 31.786 -12.213 7.638 338 1HG ARG 51 2HG ARG 51 30.964 -12.573 5.326 339 2HG ARG 51 3HG ARG 51 29.347 -12.885 5.925 340 1HD ARG 51 2HD ARG 51 29.035 -10.643 5.524 341 2HD ARG 51 3HD ARG 51 29.792 -10.450 7.092 342 HE ARG 51 HE ARG 51 31.882 -10.620 5.174 343 1HH1 ARG 51 2HH2 ARG 51 29.234 -8.457 6.007 344 2HH1 ARG 51 1HH2 ARG 51 30.032 -7.042 5.406 345 1HH2 ARG 51 2HH1 ARG 51 32.935 -8.753 4.381 346 2HH2 ARG 51 1HH1 ARG 51 32.151 -7.211 4.475 347 H GLU 52 HN GLU 52 30.350 -14.838 9.966 348 HA GLU 52 HA GLU 52 32.863 -14.398 11.145 349 1HB GLU 52 2HB GLU 52 30.142 -15.050 11.996 350 2HB GLU 52 3HB GLU 52 31.313 -15.983 12.907 351 1HG GLU 52 2HG GLU 52 32.577 -13.617 13.060 352 2HG GLU 52 3HG GLU 52 30.969 -12.987 12.763 353 H THR 53 HN THR 53 31.166 -17.211 9.780 354 HA THR 53 HA THR 53 33.377 -18.932 10.679 355 HB THR 53 HB THR 53 30.481 -19.476 9.857 356 HG1 THR 53 HG1 THR 53 30.463 -20.075 12.113 357 1HG2 THR 53 1HG2 THR 53 30.926 -21.839 10.341 358 2HG2 THR 53 2HG2 THR 53 32.065 -21.320 9.075 359 3HG2 THR 53 3HG2 THR 53 32.617 -21.475 10.760 360 H GLY 54 HN GLY 54 32.432 -17.036 8.091 361 1HA GLY 54 1HA GLY 54 32.991 -16.989 5.915 362 2HA GLY 54 2HA GLY 54 34.389 -17.943 6.370 363 H LYS 55 HN LYS 55 31.288 -19.376 7.127 364 HA LYS 55 HA LYS 55 31.543 -21.070 4.740 365 1HB LYS 55 2HB LYS 55 30.852 -21.814 7.591 366 2HB LYS 55 3HB LYS 55 30.524 -22.866 6.229 367 1HG LYS 55 2HG LYS 55 33.274 -21.757 6.970 368 2HG LYS 55 3HG LYS 55 32.718 -23.383 7.311 369 1HD LYS 55 2HD LYS 55 32.247 -22.931 4.520 370 2HD LYS 55 3HD LYS 55 33.859 -22.331 4.855 371 1HE LYS 55 2HE LYS 55 32.963 -25.054 5.875 372 2HE LYS 55 3HE LYS 55 33.583 -24.862 4.247 373 1HZ LYS 55 1HZ LYS 55 35.635 -24.557 5.012 374 2HZ LYS 55 2HZ LYS 55 35.181 -23.620 6.270 375 3HZ LYS 55 3HZ LYS 55 35.098 -25.247 6.391 376 HA PRO 56 HA PRO 56 27.481 -19.870 3.898 377 1HB PRO 56 2HB PRO 56 26.741 -21.817 2.129 378 2HB PRO 56 3HB PRO 56 27.707 -20.427 1.675 379 1HG PRO 56 2HG PRO 56 28.563 -23.228 2.074 380 2HG PRO 56 3HG PRO 56 29.392 -21.937 1.228 381 1HD PRO 56 2HD PRO 56 30.003 -22.944 3.843 382 2HD PRO 56 3HD PRO 56 30.755 -21.578 3.044 383 H LYS 57 HN LYS 57 25.459 -19.961 4.743 384 HA LYS 57 HA LYS 57 25.054 -21.707 6.835 385 1HB LYS 57 2HB LYS 57 23.603 -19.626 5.458 386 2HB LYS 57 3HB LYS 57 22.517 -20.949 5.834 387 1HG LYS 57 2HG LYS 57 24.399 -19.629 7.848 388 2HG LYS 57 3HG LYS 57 22.695 -19.253 7.689 389 1HD LYS 57 2HD LYS 57 22.039 -21.159 8.781 390 2HD LYS 57 3HD LYS 57 23.218 -22.157 7.954 391 1HE LYS 57 2HE LYS 57 24.162 -22.232 10.063 392 2HE LYS 57 3HE LYS 57 24.939 -20.764 9.504 393 1HZ LYS 57 1HZ LYS 57 22.398 -20.803 10.977 394 2HZ LYS 57 2HZ LYS 57 23.855 -20.548 11.669 395 3HZ LYS 57 3HZ LYS 57 23.271 -19.482 10.578 396 H GLY 58 HN GLY 58 23.597 -21.855 3.505 397 1HA GLY 58 1HA GLY 58 23.965 -24.251 2.631 398 2HA GLY 58 2HA GLY 58 22.973 -24.686 4.008 399 H TYR 59 HN TYR 59 21.617 -21.842 3.581 400 HA TYR 59 HA TYR 59 19.919 -22.692 1.333 401 1HB TYR 59 2HB TYR 59 18.032 -21.847 2.739 402 2HB TYR 59 3HB TYR 59 18.933 -23.037 3.657 403 HD1 TYR 59 HD1 TYR 59 18.082 -19.479 3.348 404 HD2 TYR 59 HD2 TYR 59 20.320 -22.370 5.570 405 HE1 TYR 59 HE1 TYR 59 18.409 -17.795 5.224 406 HE2 TYR 59 HE2 TYR 59 20.639 -20.676 7.439 407 HH TYR 59 HH TYR 59 18.853 -18.153 7.905 408 H GLY 60 HN GLY 60 18.756 -20.904 0.248 409 1HA GLY 60 1HA GLY 60 19.534 -18.196 0.813 410 2HA GLY 60 2HA GLY 60 20.346 -18.859 -0.592 411 H PHE 61 HN PHE 61 18.964 -16.922 -1.495 412 HA PHE 61 HA PHE 61 16.454 -18.099 -2.443 413 1HB PHE 61 2HB PHE 61 17.120 -15.293 -1.391 414 2HB PHE 61 3HB PHE 61 15.702 -15.574 -2.381 415 HD1 PHE 61 HD1 PHE 61 13.728 -16.503 -1.454 416 HD2 PHE 61 HD2 PHE 61 17.298 -16.433 0.839 417 HE1 PHE 61 HE1 PHE 61 12.426 -17.145 0.594 418 HE2 PHE 61 HE2 PHE 61 15.996 -17.075 2.887 419 HZ PHE 61 HZ PHE 61 13.576 -17.423 2.740 420 H CYS 62 HN CYS 62 15.885 -17.588 -4.613 421 HA CYS 62 HA CYS 62 18.002 -16.175 -6.067 422 1HB CYS 62 2HB CYS 62 17.944 -18.692 -6.417 423 2HB CYS 62 3HB CYS 62 16.379 -18.482 -7.178 424 HG CYS 62 HG CYS 62 17.242 -18.048 -9.332 425 H GLU 63 HN GLU 63 17.247 -14.375 -7.142 426 HA GLU 63 HA GLU 63 14.362 -14.120 -7.316 427 1HB GLU 63 2HB GLU 63 15.198 -12.235 -6.195 428 2HB GLU 63 3HB GLU 63 16.655 -12.166 -7.167 429 1HG GLU 63 2HG GLU 63 15.625 -11.010 -8.895 430 2HG GLU 63 3HG GLU 63 14.081 -11.803 -8.656 431 H TYR 64 HN TYR 64 13.311 -14.173 -9.272 432 HA TYR 64 HA TYR 64 15.007 -14.402 -11.642 433 1HB TYR 64 2HB TYR 64 12.298 -15.275 -10.625 434 2HB TYR 64 3HB TYR 64 12.361 -14.925 -12.341 435 HD1 TYR 64 HD1 TYR 64 14.219 -16.129 -13.721 436 HD2 TYR 64 HD2 TYR 64 12.962 -17.379 -9.827 437 HE1 TYR 64 HE1 TYR 64 15.165 -18.448 -14.152 438 HE2 TYR 64 HE2 TYR 64 13.913 -19.694 -10.271 439 HH TYR 64 HH TYR 64 15.806 -20.343 -13.149 440 H GLN 65 HN GLN 65 13.367 -13.676 -13.686 441 HA GLN 65 HA GLN 65 12.859 -10.869 -13.074 442 1HB GLN 65 2HB GLN 65 14.692 -11.842 -14.861 443 2HB GLN 65 3HB GLN 65 13.300 -11.681 -15.913 444 1HG GLN 65 2HG GLN 65 13.761 -9.357 -14.100 445 2HG GLN 65 3HG GLN 65 15.029 -9.623 -15.280 446 1HE2 GLN 65 1HE2 GLN 65 13.489 -7.371 -15.331 447 2HE2 GLN 65 2HE2 GLN 65 12.459 -7.352 -16.724 448 H ASP 66 HN ASP 66 11.495 -13.894 -13.983 449 HA ASP 66 HA ASP 66 9.088 -12.485 -14.822 450 1HB ASP 66 2HB ASP 66 9.565 -15.281 -15.808 451 2HB ASP 66 3HB ASP 66 8.703 -13.967 -16.583 452 H GLN 67 HN GLN 67 7.207 -13.207 -13.722 453 HA GLN 67 HA GLN 67 7.531 -14.679 -11.417 454 1HB GLN 67 2HB GLN 67 5.302 -13.469 -12.932 455 2HB GLN 67 3HB GLN 67 4.813 -14.881 -12.018 456 1HG GLN 67 2HG GLN 67 4.811 -13.646 -10.120 457 2HG GLN 67 3HG GLN 67 6.534 -13.379 -10.296 458 1HE2 GLN 67 1HE2 GLN 67 4.589 -11.586 -9.225 459 2HE2 GLN 67 2HE2 GLN 67 4.576 -10.146 -10.188 460 H GLU 68 HN GLU 68 6.206 -15.620 -14.655 461 HA GLU 68 HA GLU 68 5.497 -18.188 -13.926 462 1HB GLU 68 2HB GLU 68 4.672 -17.195 -15.980 463 2HB GLU 68 3HB GLU 68 6.295 -16.986 -16.607 464 1HG GLU 68 2HG GLU 68 6.559 -19.261 -17.101 465 2HG GLU 68 3HG GLU 68 5.449 -19.777 -15.847 466 H THR 69 HN THR 69 8.608 -16.761 -14.974 467 HA THR 69 HA THR 69 9.940 -19.201 -15.447 468 HB THR 69 HB THR 69 10.918 -16.397 -14.690 469 HG1 THR 69 HG1 THR 69 11.170 -16.450 -17.099 470 1HG2 THR 69 1HG2 THR 69 12.464 -18.731 -14.777 471 2HG2 THR 69 2HG2 THR 69 12.575 -18.117 -16.444 472 3HG2 THR 69 3HG2 THR 69 13.075 -17.087 -15.081 473 H ALA 70 HN ALA 70 9.587 -17.138 -12.511 474 HA ALA 70 HA ALA 70 11.316 -18.734 -10.952 475 1HB ALA 70 1HB ALA 70 10.538 -16.303 -10.601 476 2HB ALA 70 2HB ALA 70 9.044 -17.003 -9.932 477 3HB ALA 70 3HB ALA 70 10.611 -17.345 -9.160 478 H LEU 71 HN LEU 71 7.777 -18.717 -11.603 479 HA LEU 71 HA LEU 71 7.177 -20.668 -9.653 480 1HB LEU 71 2HB LEU 71 5.803 -19.222 -11.810 481 2HB LEU 71 3HB LEU 71 5.178 -20.832 -11.517 482 HG LEU 71 HG LEU 71 5.580 -18.940 -9.214 483 1HD1 LEU 71 1HD1 LEU 71 3.850 -18.441 -11.448 484 2HD1 LEU 71 2HD1 LEU 71 2.869 -18.794 -10.005 485 3HD1 LEU 71 3HD1 LEU 71 4.079 -17.490 -9.961 486 1HD2 LEU 71 1HD2 LEU 71 3.788 -21.313 -9.758 487 2HD2 LEU 71 2HD2 LEU 71 5.080 -21.155 -8.543 488 3HD2 LEU 71 3HD2 LEU 71 3.573 -20.224 -8.366 489 H SER 72 HN SER 72 8.131 -20.755 -13.109 490 HA SER 72 HA SER 72 7.557 -23.454 -13.465 491 1HB SER 72 2HB SER 72 9.434 -21.519 -14.869 492 2HB SER 72 3HB SER 72 9.289 -23.187 -15.386 493 HG SER 72 HG SER 72 7.513 -22.644 -16.433 494 H ALA 73 HN ALA 73 10.424 -21.659 -12.264 495 HA ALA 73 HA ALA 73 12.191 -23.853 -12.300 496 1HB ALA 73 1HB ALA 73 12.177 -21.069 -11.567 497 2HB ALA 73 2HB ALA 73 12.892 -22.011 -10.236 498 3HB ALA 73 3HB ALA 73 13.570 -22.133 -11.877 499 H MET 74 HN MET 74 9.824 -22.563 -9.926 500 HA MET 74 HA MET 74 10.673 -24.128 -7.797 501 1HB MET 74 2HB MET 74 8.548 -22.276 -8.450 502 2HB MET 74 3HB MET 74 7.793 -23.690 -7.743 503 1HG MET 74 2HG MET 74 10.034 -23.236 -6.092 504 2HG MET 74 3HG MET 74 9.452 -21.623 -6.454 505 1HE MET 74 1HE MET 74 5.884 -21.511 -5.245 506 2HE MET 74 2HE MET 74 7.072 -20.978 -6.458 507 3HE MET 74 3HE MET 74 6.051 -22.401 -6.777 508 H ARG 75 HN ARG 75 8.153 -24.669 -10.340 509 HA ARG 75 HA ARG 75 7.453 -27.174 -9.232 510 1HB ARG 75 2HB ARG 75 5.848 -25.769 -10.541 511 2HB ARG 75 3HB ARG 75 6.842 -25.955 -11.973 512 1HG ARG 75 2HG ARG 75 4.951 -27.548 -12.022 513 2HG ARG 75 3HG ARG 75 6.475 -28.410 -11.946 514 1HD ARG 75 2HD ARG 75 6.010 -29.296 -9.883 515 2HD ARG 75 3HD ARG 75 5.393 -27.777 -9.264 516 HE ARG 75 HE ARG 75 3.808 -29.944 -10.265 517 1HH1 ARG 75 2HH2 ARG 75 3.961 -26.430 -10.373 518 2HH1 ARG 75 1HH2 ARG 75 2.257 -26.236 -10.614 519 1HH2 ARG 75 2HH1 ARG 75 1.560 -29.688 -10.582 520 2HH2 ARG 75 1HH1 ARG 75 0.882 -28.102 -10.733 521 H ASN 76 HN ASN 76 9.825 -25.941 -11.527 522 HA ASN 76 HA ASN 76 10.188 -28.376 -12.900 523 1HB ASN 76 2HB ASN 76 11.632 -25.726 -12.709 524 2HB ASN 76 3HB ASN 76 12.522 -27.081 -13.373 525 1HD2 ASN 76 1HD2 ASN 76 9.039 -26.686 -13.587 526 2HD2 ASN 76 2HD2 ASN 76 8.930 -26.423 -15.295 527 H LEU 77 HN LEU 77 11.563 -26.723 -10.028 528 HA LEU 77 HA LEU 77 13.444 -28.943 -9.675 529 1HB LEU 77 2HB LEU 77 13.385 -26.152 -8.524 530 2HB LEU 77 3HB LEU 77 14.505 -27.400 -8.013 531 HG LEU 77 HG LEU 77 15.158 -27.515 -10.540 532 1HD1 LEU 77 1HD1 LEU 77 14.888 -25.468 -11.788 533 2HD1 LEU 77 2HD1 LEU 77 13.289 -26.082 -11.306 534 3HD1 LEU 77 3HD1 LEU 77 14.016 -24.711 -10.434 535 1HD2 LEU 77 1HD2 LEU 77 16.015 -25.760 -8.350 536 2HD2 LEU 77 2HD2 LEU 77 16.965 -26.813 -9.425 537 3HD2 LEU 77 3HD2 LEU 77 16.491 -25.185 -9.966 538 H ASN 78 HN ASN 78 12.176 -26.800 -7.115 539 HA ASN 78 HA ASN 78 11.376 -27.351 -5.150 540 1HB ASN 78 2HB ASN 78 9.216 -27.113 -6.043 541 2HB ASN 78 3HB ASN 78 9.430 -28.420 -7.191 542 1HD2 ASN 78 1HD2 ASN 78 10.002 -28.327 -3.688 543 2HD2 ASN 78 2HD2 ASN 78 8.875 -29.565 -3.243 544 H GLY 79 HN GLY 79 13.022 -28.756 -4.248 545 1HA GLY 79 1HA GLY 79 13.840 -30.654 -3.368 546 2HA GLY 79 2HA GLY 79 12.242 -31.350 -3.549 547 H ARG 80 HN ARG 80 14.424 -30.096 -6.146 548 HA ARG 80 HA ARG 80 14.086 -32.604 -7.485 549 1HB ARG 80 2HB ARG 80 13.882 -30.728 -8.945 550 2HB ARG 80 3HB ARG 80 15.252 -29.900 -8.231 551 1HG ARG 80 2HG ARG 80 16.750 -30.954 -9.596 552 2HG ARG 80 3HG ARG 80 16.010 -32.523 -9.346 553 1HD ARG 80 2HD ARG 80 14.970 -32.404 -11.362 554 2HD ARG 80 3HD ARG 80 14.191 -30.900 -10.914 555 HE ARG 80 HE ARG 80 17.022 -30.632 -11.690 556 1HH1 ARG 80 2HH2 ARG 80 13.670 -30.536 -12.756 557 2HH1 ARG 80 1HH2 ARG 80 14.012 -29.588 -14.165 558 1HH2 ARG 80 2HH1 ARG 80 17.474 -29.382 -13.549 559 2HH2 ARG 80 1HH1 ARG 80 16.190 -28.928 -14.619 560 H GLU 81 HN GLU 81 15.680 -34.192 -7.690 561 HA GLU 81 HA GLU 81 17.874 -34.042 -5.971 562 1HB GLU 81 2HB GLU 81 17.677 -36.003 -8.274 563 2HB GLU 81 3HB GLU 81 18.358 -36.259 -6.680 564 1HG GLU 81 2HG GLU 81 16.362 -37.082 -5.993 565 2HG GLU 81 3HG GLU 81 15.655 -35.495 -6.224 566 H PHE 82 HN PHE 82 20.009 -33.446 -6.303 567 HA PHE 82 HA PHE 82 20.979 -33.176 -9.005 568 1HB PHE 82 2HB PHE 82 20.088 -30.964 -8.819 569 2HB PHE 82 3HB PHE 82 20.286 -30.933 -7.078 570 HD1 PHE 82 HD1 PHE 82 21.893 -30.317 -10.288 571 HD2 PHE 82 HD2 PHE 82 22.458 -30.381 -6.082 572 HE1 PHE 82 HE1 PHE 82 24.011 -28.997 -10.552 573 HE2 PHE 82 HE2 PHE 82 24.576 -29.061 -6.347 574 HZ PHE 82 HZ PHE 82 25.328 -28.384 -8.579 575 H SER 83 HN SER 83 21.642 -32.212 -5.557 576 HA SER 83 HA SER 83 24.407 -32.823 -5.967 577 1HB SER 83 2HB SER 83 22.762 -31.679 -3.700 578 2HB SER 83 3HB SER 83 24.384 -32.259 -3.375 579 HG SER 83 HG SER 83 25.093 -30.399 -4.139 580 H GLY 84 HN GLY 84 22.093 -34.904 -6.001 581 1HA GLY 84 1HA GLY 84 22.275 -37.168 -5.599 582 2HA GLY 84 2HA GLY 84 23.492 -36.875 -4.372 583 H ARG 85 HN ARG 85 20.954 -34.641 -3.942 584 HA ARG 85 HA ARG 85 19.582 -36.482 -2.159 585 1HB ARG 85 2HB ARG 85 20.899 -33.857 -1.550 586 2HB ARG 85 3HB ARG 85 19.327 -34.098 -0.814 587 1HG ARG 85 2HG ARG 85 20.392 -36.511 -0.220 588 2HG ARG 85 3HG ARG 85 21.890 -35.614 -0.363 589 1HD ARG 85 2HD ARG 85 19.704 -34.322 1.247 590 2HD ARG 85 3HD ARG 85 20.463 -35.736 1.950 591 HE ARG 85 HE ARG 85 21.684 -33.113 1.579 592 1HH1 ARG 85 2HH2 ARG 85 22.365 -36.555 1.855 593 2HH1 ARG 85 1HH2 ARG 85 23.989 -36.319 2.410 594 1HH2 ARG 85 2HH1 ARG 85 23.826 -32.802 2.311 595 2HH2 ARG 85 1HH1 ARG 85 24.826 -34.170 2.671 596 H ALA 86 HN ALA 86 19.048 -32.948 -2.431 597 HA ALA 86 HA ALA 86 17.182 -32.945 -4.482 598 1HB ALA 86 1HB ALA 86 15.543 -32.697 -2.042 599 2HB ALA 86 2HB ALA 86 15.191 -33.530 -3.575 600 3HB ALA 86 3HB ALA 86 16.162 -34.342 -2.323 601 H LEU 87 HN LEU 87 16.526 -30.810 -4.915 602 HA LEU 87 HA LEU 87 17.664 -28.851 -3.054 603 1HB LEU 87 2HB LEU 87 17.469 -29.056 -6.002 604 2HB LEU 87 3HB LEU 87 17.225 -27.460 -5.322 605 HG LEU 87 HG LEU 87 19.677 -29.210 -5.145 606 1HD1 LEU 87 1HD1 LEU 87 19.157 -26.430 -6.227 607 2HD1 LEU 87 2HD1 LEU 87 20.770 -27.164 -6.067 608 3HD1 LEU 87 3HD1 LEU 87 19.562 -27.899 -7.148 609 1HD2 LEU 87 1HD2 LEU 87 19.946 -28.474 -3.044 610 2HD2 LEU 87 2HD2 LEU 87 20.408 -26.941 -3.821 611 3HD2 LEU 87 3HD2 LEU 87 18.745 -27.174 -3.232 612 H ARG 88 HN ARG 88 15.977 -28.580 -1.585 613 HA ARG 88 HA ARG 88 13.324 -28.489 -2.345 614 1HB ARG 88 2HB ARG 88 14.840 -27.430 0.077 615 2HB ARG 88 3HB ARG 88 13.105 -27.217 -0.059 616 1HG ARG 88 2HG ARG 88 13.070 -29.815 -0.547 617 2HG ARG 88 3HG ARG 88 14.675 -29.805 0.157 618 1HD ARG 88 2HD ARG 88 13.827 -28.877 2.260 619 2HD ARG 88 3HD ARG 88 12.242 -28.609 1.564 620 HE ARG 88 HE ARG 88 11.763 -30.920 1.750 621 1HH1 ARG 88 2HH2 ARG 88 15.145 -30.295 2.498 622 2HH1 ARG 88 1HH2 ARG 88 15.424 -31.875 3.151 623 1HH2 ARG 88 2HH1 ARG 88 12.132 -33.004 2.612 624 2HH2 ARG 88 1HH1 ARG 88 13.699 -33.426 3.217 625 H VAL 89 HN VAL 89 12.204 -26.920 -3.462 626 HA VAL 89 HA VAL 89 13.219 -24.171 -3.260 627 HB VAL 89 HB VAL 89 12.078 -25.497 -5.725 628 1HG1 VAL 89 1HG1 VAL 89 13.633 -22.924 -5.698 629 2HG1 VAL 89 2HG1 VAL 89 12.423 -23.510 -6.864 630 3HG1 VAL 89 3HG1 VAL 89 11.906 -22.918 -5.267 631 1HG2 VAL 89 1HG2 VAL 89 14.602 -25.933 -4.655 632 2HG2 VAL 89 2HG2 VAL 89 14.118 -26.185 -6.349 633 3HG2 VAL 89 3HG2 VAL 89 14.876 -24.650 -5.859 634 H ASP 90 HN ASP 90 11.726 -22.733 -2.542 635 HA ASP 90 HA ASP 90 8.944 -23.425 -2.984 636 1HB ASP 90 2HB ASP 90 9.194 -22.099 -0.433 637 2HB ASP 90 3HB ASP 90 8.507 -23.674 -0.774 638 H ASN 91 HN ASN 91 7.519 -21.450 -2.848 639 HA ASN 91 HA ASN 91 8.622 -19.284 -4.095 640 1HB ASN 91 2HB ASN 91 6.077 -20.092 -3.506 641 2HB ASN 91 3HB ASN 91 6.237 -18.819 -2.312 642 1HD2 ASN 91 1HD2 ASN 91 5.221 -17.106 -3.020 643 2HD2 ASN 91 2HD2 ASN 91 5.345 -16.388 -4.592 644 H ALA 92 HN ALA 92 9.710 -17.442 -3.323 645 HA ALA 92 HA ALA 92 10.544 -17.389 -0.625 646 1HB ALA 92 1HB ALA 92 10.695 -15.166 -2.695 647 2HB ALA 92 2HB ALA 92 11.763 -15.423 -1.294 648 3HB ALA 92 3HB ALA 92 11.803 -16.559 -2.664 649 H ALA 93 HN ALA 93 7.601 -16.551 -2.113 650 HA ALA 93 HA ALA 93 7.067 -14.397 -0.216 651 1HB ALA 93 1HB ALA 93 4.920 -15.208 -2.056 652 2HB ALA 93 2HB ALA 93 5.656 -13.608 -1.795 653 3HB ALA 93 3HB ALA 93 6.430 -14.776 -2.893 654 H SER 94 HN SER 94 7.407 -17.427 0.356 655 HA SER 94 HA SER 94 4.769 -18.221 1.059 656 1HB SER 94 2HB SER 94 6.760 -19.736 0.387 657 2HB SER 94 3HB SER 94 7.367 -19.485 2.011 658 HG SER 94 HG SER 94 5.274 -20.316 2.807 659 H GLU 95 HN GLU 95 4.037 -18.637 3.299 660 HA GLU 95 HA GLU 95 4.543 -16.496 4.962 661 1HB GLU 95 2HB GLU 95 3.115 -19.128 5.218 662 2HB GLU 95 3HB GLU 95 3.443 -18.247 6.696 663 1HG GLU 95 2HG GLU 95 2.237 -16.290 5.905 664 2HG GLU 95 3HG GLU 95 2.132 -16.933 4.277 665 H LYS 96 HN LYS 96 5.966 -19.779 4.792 666 HA LYS 96 HA LYS 96 7.423 -19.399 7.244 667 1HB LYS 96 2HB LYS 96 8.180 -21.623 6.934 668 2HB LYS 96 3HB LYS 96 6.493 -21.603 6.462 669 1HG LYS 96 2HG LYS 96 7.476 -21.114 4.034 670 2HG LYS 96 3HG LYS 96 8.949 -21.789 4.702 671 1HD LYS 96 2HD LYS 96 6.845 -23.542 5.515 672 2HD LYS 96 3HD LYS 96 6.535 -23.170 3.831 673 1HE LYS 96 2HE LYS 96 8.853 -23.836 3.229 674 2HE LYS 96 3HE LYS 96 9.225 -24.137 4.915 675 1HZ LYS 96 1HZ LYS 96 8.594 -26.188 4.324 676 2HZ LYS 96 2HZ LYS 96 7.090 -25.636 4.639 677 3HZ LYS 96 3HZ LYS 96 7.630 -25.701 3.099 678 H ASN 97 HN ASN 97 7.824 -18.813 3.794 679 HA ASN 97 HA ASN 97 10.626 -18.788 3.831 680 1HB ASN 97 2HB ASN 97 8.457 -17.785 1.971 681 2HB ASN 97 3HB ASN 97 10.090 -17.206 1.710 682 1HD2 ASN 97 1HD2 ASN 97 8.974 -20.338 2.943 683 2HD2 ASN 97 2HD2 ASN 97 9.640 -21.327 1.686 684 H LYS 98 HN LYS 98 8.077 -16.591 4.843 685 HA LYS 98 HA LYS 98 9.493 -14.165 4.543 686 1HB LYS 98 2HB LYS 98 6.996 -15.071 5.918 687 2HB LYS 98 3HB LYS 98 7.691 -13.538 6.402 688 1HG LYS 98 2HG LYS 98 7.436 -12.583 4.248 689 2HG LYS 98 3HG LYS 98 7.364 -14.143 3.452 690 1HD LYS 98 2HD LYS 98 5.105 -14.261 3.689 691 2HD LYS 98 3HD LYS 98 5.195 -13.899 5.401 692 1HE LYS 98 2HE LYS 98 4.243 -11.894 4.893 693 2HE LYS 98 3HE LYS 98 5.801 -11.432 4.239 694 1HZ LYS 98 1HZ LYS 98 3.941 -12.939 2.577 695 2HZ LYS 98 2HZ LYS 98 3.736 -11.329 2.762 696 3HZ LYS 98 3HZ LYS 98 5.122 -11.907 2.122 697 H GLU 99 HN GLU 99 9.298 -16.689 7.065 698 HA GLU 99 HA GLU 99 10.516 -15.168 9.058 699 1HB GLU 99 2HB GLU 99 9.454 -17.789 8.766 700 2HB GLU 99 3HB GLU 99 11.111 -18.012 9.289 701 1HG GLU 99 2HG GLU 99 10.742 -17.050 11.357 702 2HG GLU 99 3HG GLU 99 9.620 -15.861 10.726 703 H GLU 100 HN GLU 100 11.783 -17.373 6.503 704 HA GLU 100 HA GLU 100 14.427 -17.243 7.456 705 1HB GLU 100 2HB GLU 100 13.007 -18.744 5.551 706 2HB GLU 100 3HB GLU 100 14.154 -17.835 4.588 707 1HG GLU 100 2HG GLU 100 15.785 -19.279 5.206 708 2HG GLU 100 3HG GLU 100 15.615 -18.736 6.863 709 H LEU 101 HN LEU 101 12.531 -15.496 4.935 710 HA LEU 101 HA LEU 101 14.684 -14.077 3.858 711 1HB LEU 101 2HB LEU 101 11.715 -13.837 3.859 712 2HB LEU 101 3HB LEU 101 12.648 -12.446 3.343 713 HG LEU 101 HG LEU 101 13.601 -14.878 2.060 714 1HD1 LEU 101 1HD1 LEU 101 10.668 -14.412 2.146 715 2HD1 LEU 101 2HD1 LEU 101 11.381 -14.795 0.560 716 3HD1 LEU 101 3HD1 LEU 101 11.593 -15.917 1.925 717 1HD2 LEU 101 1HD2 LEU 101 13.659 -13.552 0.152 718 2HD2 LEU 101 2HD2 LEU 101 12.311 -12.525 0.698 719 3HD2 LEU 101 3HD2 LEU 101 13.909 -12.380 1.469 720 H LYS 102 HN LYS 102 12.690 -13.631 6.771 721 HA LYS 102 HA LYS 102 13.215 -10.974 7.281 722 1HB LYS 102 2HB LYS 102 11.593 -12.455 8.475 723 2HB LYS 102 3HB LYS 102 12.936 -13.212 9.307 724 1HG LYS 102 2HG LYS 102 13.490 -11.229 10.499 725 2HG LYS 102 3HG LYS 102 12.643 -10.194 9.367 726 1HD LYS 102 2HD LYS 102 10.566 -10.595 10.321 727 2HD LYS 102 3HD LYS 102 10.963 -12.244 10.763 728 1HE LYS 102 2HE LYS 102 12.619 -11.159 12.492 729 2HE LYS 102 3HE LYS 102 11.720 -9.681 12.211 730 1HZ LYS 102 1HZ LYS 102 10.075 -10.448 13.438 731 2HZ LYS 102 2HZ LYS 102 9.984 -11.862 12.626 732 3HZ LYS 102 3HZ LYS 102 11.018 -11.706 13.880 733 H SER 103 HN SER 103 15.279 -13.853 7.591 734 HA SER 103 HA SER 103 17.237 -12.366 9.063 735 1HB SER 103 2HB SER 103 16.847 -15.205 8.200 736 2HB SER 103 3HB SER 103 18.510 -14.683 8.383 737 HG SER 103 HG SER 103 17.902 -15.426 10.404 738 H LEU 104 HN LEU 104 16.407 -13.151 5.742 739 HA LEU 104 HA LEU 104 19.055 -12.735 4.722 740 1HB LEU 104 2HB LEU 104 16.672 -13.908 3.829 741 2HB LEU 104 3HB LEU 104 16.919 -12.524 2.782 742 HG LEU 104 HG LEU 104 18.047 -14.107 1.597 743 1HD1 LEU 104 1HD1 LEU 104 19.617 -12.236 2.495 744 2HD1 LEU 104 2HD1 LEU 104 20.373 -13.558 3.418 745 3HD1 LEU 104 3HD1 LEU 104 20.311 -13.636 1.641 746 1HD2 LEU 104 1HD2 LEU 104 19.473 -15.910 2.753 747 2HD2 LEU 104 2HD2 LEU 104 18.629 -15.427 4.243 748 3HD2 LEU 104 3HD2 LEU 104 17.701 -16.043 2.854 749 H GLY 105 HN GLY 105 16.632 -10.731 6.000 750 1HA GLY 105 1HA GLY 105 16.860 -8.441 6.226 751 2HA GLY 105 2HA GLY 105 17.929 -8.387 4.839 752 H THR 106 HN THR 106 14.713 -7.904 5.968 753 HA THR 106 HA THR 106 13.033 -8.479 3.951 754 HB THR 106 HB THR 106 11.765 -6.483 4.732 755 HG1 THR 106 HG1 THR 106 12.986 -4.947 6.011 756 1HG2 THR 106 1HG2 THR 106 12.778 -8.506 6.461 757 2HG2 THR 106 2HG2 THR 106 13.041 -6.971 7.322 758 3HG2 THR 106 3HG2 THR 106 11.405 -7.421 6.786 759 H GLY 107 HN GLY 107 12.796 -8.102 1.836 760 1HA GLY 107 1HA GLY 107 14.622 -7.090 0.175 761 2HA GLY 107 2HA GLY 107 12.901 -6.975 -0.134 762 H ALA 108 HN ALA 108 15.670 -5.173 -0.083 763 HA ALA 108 HA ALA 108 15.979 -2.978 -0.291 764 1HB ALA 108 1HB ALA 108 13.261 -3.197 -0.749 765 2HB ALA 108 2HB ALA 108 13.329 -2.042 0.604 766 3HB ALA 108 3HB ALA 108 14.213 -1.701 -0.903 767 HA PRO 109 HA PRO 109 16.586 -2.856 4.133 768 1HB PRO 109 2HB PRO 109 19.267 -2.329 4.067 769 2HB PRO 109 3HB PRO 109 18.611 -3.952 4.137 770 1HG PRO 109 2HG PRO 109 19.812 -2.536 1.837 771 2HG PRO 109 3HG PRO 109 19.547 -4.255 2.051 772 1HD PRO 109 2HD PRO 109 17.992 -2.468 0.434 773 2HD PRO 109 3HD PRO 109 17.661 -4.161 0.740 774 H VAL 110 HN VAL 110 15.188 -1.061 4.284 775 HA VAL 110 HA VAL 110 16.772 1.390 4.426 776 HB VAL 110 HB VAL 110 14.873 2.613 3.380 777 1HG1 VAL 110 1HG1 VAL 110 15.934 0.588 1.411 778 2HG1 VAL 110 2HG1 VAL 110 15.662 2.334 1.197 779 3HG1 VAL 110 3HG1 VAL 110 17.019 1.760 2.197 780 1HG2 VAL 110 1HG2 VAL 110 13.190 1.464 2.111 781 2HG2 VAL 110 2HG2 VAL 110 13.943 -0.116 2.435 782 3HG2 VAL 110 3HG2 VAL 110 13.179 0.794 3.760 783 H ILE 111 HN ILE 111 16.025 2.883 6.019 784 HA ILE 111 HA ILE 111 15.274 3.319 8.060 785 HB ILE 111 HB ILE 111 13.351 3.860 6.588 786 1HG1 ILE 111 2HG1 ILE 111 13.444 4.446 9.005 787 2HG1 ILE 111 3HG1 ILE 111 11.817 4.272 8.377 788 1HG2 ILE 111 1HG2 ILE 111 12.552 1.054 7.315 789 2HG2 ILE 111 2HG2 ILE 111 11.322 2.288 6.952 790 3HG2 ILE 111 3HG2 ILE 111 12.544 1.862 5.729 791 1HD1 ILE 111 1HD1 ILE 111 11.447 2.852 10.112 792 2HD1 ILE 111 2HD1 ILE 111 12.444 1.676 9.223 793 3HD1 ILE 111 3HD1 ILE 111 13.187 2.715 10.463 Start of MODEL 8 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 3.109 -0.183 -0.958 3 1HB ASP 8 2HB ASP 8 2.036 -2.039 -1.905 4 2HB ASP 8 3HB ASP 8 0.498 -1.213 -2.047 5 HA PRO 9 HA PRO 9 2.461 3.777 -2.747 6 1HB PRO 9 2HB PRO 9 4.614 3.913 -4.424 7 2HB PRO 9 3HB PRO 9 4.714 4.249 -2.707 8 1HG PRO 9 2HG PRO 9 5.627 1.856 -4.183 9 2HG PRO 9 3HG PRO 9 6.084 2.398 -2.581 10 1HD PRO 9 2HD PRO 9 4.272 0.268 -3.220 11 2HD PRO 9 3HD PRO 9 4.641 0.887 -1.622 12 H ALA 10 HN ALA 10 3.081 4.712 -5.298 13 HA ALA 10 HA ALA 10 1.884 2.929 -7.179 14 1HB ALA 10 1HB ALA 10 0.306 5.444 -6.600 15 2HB ALA 10 2HB ALA 10 -0.189 3.993 -7.503 16 3HB ALA 10 3HB ALA 10 -0.036 3.929 -5.731 17 H VAL 11 HN VAL 11 3.905 3.350 -8.237 18 HA VAL 11 HA VAL 11 4.746 6.000 -8.765 19 HB VAL 11 HB VAL 11 5.488 3.411 -10.141 20 1HG1 VAL 11 1HG1 VAL 11 6.437 6.191 -10.349 21 2HG1 VAL 11 2HG1 VAL 11 7.731 4.999 -10.082 22 3HG1 VAL 11 3HG1 VAL 11 6.630 4.823 -11.470 23 1HG2 VAL 11 1HG2 VAL 11 7.137 4.614 -7.946 24 2HG2 VAL 11 2HG2 VAL 11 5.691 3.670 -7.513 25 3HG2 VAL 11 3HG2 VAL 11 6.990 2.919 -8.470 26 H ASP 12 HN ASP 12 2.619 3.638 -10.373 27 HA ASP 12 HA ASP 12 2.622 4.746 -12.882 28 1HB ASP 12 2HB ASP 12 1.239 2.719 -11.511 29 2HB ASP 12 3HB ASP 12 -0.036 3.827 -11.978 30 H ARG 13 HN ARG 13 0.925 5.609 -9.844 31 HA ARG 13 HA ARG 13 -1.019 7.230 -10.883 32 1HB ARG 13 2HB ARG 13 -0.418 6.424 -8.395 33 2HB ARG 13 3HB ARG 13 0.374 7.985 -8.302 34 1HG ARG 13 2HG ARG 13 -1.851 8.992 -9.189 35 2HG ARG 13 3HG ARG 13 -2.568 7.427 -8.861 36 1HD ARG 13 2HD ARG 13 -1.482 7.714 -6.460 37 2HD ARG 13 3HD ARG 13 -1.388 9.410 -6.890 38 HE ARG 13 HE ARG 13 -4.026 8.177 -7.344 39 1HH1 ARG 13 2HH2 ARG 13 -1.973 9.958 -5.110 40 2HH1 ARG 13 1HH2 ARG 13 -3.299 10.574 -4.181 41 1HH2 ARG 13 2HH1 ARG 13 -5.777 8.989 -6.119 42 2HH2 ARG 13 1HH1 ARG 13 -5.477 10.019 -4.759 43 H SER 14 HN SER 14 2.447 7.824 -10.195 44 HA SER 14 HA SER 14 2.391 10.578 -10.327 45 1HB SER 14 2HB SER 14 4.366 8.465 -10.251 46 2HB SER 14 3HB SER 14 4.856 9.640 -11.455 47 HG SER 14 HG SER 14 5.674 10.539 -9.635 48 H LEU 15 HN LEU 15 2.640 8.042 -12.868 49 HA LEU 15 HA LEU 15 3.175 9.871 -14.966 50 1HB LEU 15 2HB LEU 15 2.221 7.009 -14.907 51 2HB LEU 15 3HB LEU 15 2.542 7.888 -16.389 52 HG LEU 15 HG LEU 15 4.347 6.310 -15.270 53 1HD1 LEU 15 1HD1 LEU 15 6.086 8.148 -16.197 54 2HD1 LEU 15 2HD1 LEU 15 5.087 7.113 -17.246 55 3HD1 LEU 15 3HD1 LEU 15 4.575 8.781 -16.892 56 1HD2 LEU 15 1HD2 LEU 15 4.454 7.367 -13.115 57 2HD2 LEU 15 2HD2 LEU 15 5.995 7.643 -13.962 58 3HD2 LEU 15 3HD2 LEU 15 4.792 8.951 -13.854 59 H ARG 16 HN ARG 16 0.405 9.225 -13.059 60 HA ARG 16 HA ARG 16 -1.287 10.207 -15.214 61 1HB ARG 16 2HB ARG 16 -1.801 8.407 -12.834 62 2HB ARG 16 3HB ARG 16 -3.129 9.374 -13.442 63 1HG ARG 16 2HG ARG 16 -2.021 8.312 -15.783 64 2HG ARG 16 3HG ARG 16 -1.834 6.999 -14.639 65 1HD ARG 16 2HD ARG 16 -4.368 8.290 -15.649 66 2HD ARG 16 3HD ARG 16 -3.997 6.588 -15.458 67 HE ARG 16 HE ARG 16 -4.985 8.417 -13.367 68 1HH1 ARG 16 2HH2 ARG 16 -3.529 5.295 -14.083 69 2HH1 ARG 16 1HH2 ARG 16 -4.014 4.581 -12.582 70 1HH2 ARG 16 2HH1 ARG 16 -5.626 7.475 -11.386 71 2HH2 ARG 16 1HH1 ARG 16 -5.216 5.829 -11.037 72 H SER 17 HN SER 17 -0.411 12.420 -14.681 73 HA SER 17 HA SER 17 -2.169 13.868 -13.193 74 1HB SER 17 2HB SER 17 -0.345 12.551 -11.469 75 2HB SER 17 3HB SER 17 0.224 14.206 -11.546 76 HG SER 17 HG SER 17 -1.548 13.529 -9.906 77 H VAL 18 HN VAL 18 -1.776 16.137 -13.493 78 HA VAL 18 HA VAL 18 0.742 16.749 -14.877 79 HB VAL 18 HB VAL 18 -1.029 18.520 -15.933 80 1HG1 VAL 18 1HG1 VAL 18 -0.709 17.394 -17.969 81 2HG1 VAL 18 2HG1 VAL 18 0.712 16.942 -16.997 82 3HG1 VAL 18 3HG1 VAL 18 -0.638 15.798 -17.184 83 1HG2 VAL 18 1HG2 VAL 18 -2.531 15.915 -15.518 84 2HG2 VAL 18 2HG2 VAL 18 -2.990 17.533 -14.936 85 3HG2 VAL 18 3HG2 VAL 18 -3.004 17.178 -16.680 86 H PHE 19 HN PHE 19 1.891 18.368 -13.946 87 HA PHE 19 HA PHE 19 0.832 19.612 -11.618 88 1HB PHE 19 2HB PHE 19 3.235 18.958 -11.957 89 2HB PHE 19 3HB PHE 19 3.340 20.007 -13.358 90 HD1 PHE 19 HD1 PHE 19 1.937 20.605 -9.949 91 HD2 PHE 19 HD2 PHE 19 4.831 21.696 -12.855 92 HE1 PHE 19 HE1 PHE 19 2.701 22.492 -8.480 93 HE2 PHE 19 HE2 PHE 19 5.594 23.583 -11.386 94 HZ PHE 19 HZ PHE 19 4.520 23.958 -9.216 95 H VAL 20 HN VAL 20 -0.146 21.582 -11.391 96 HA VAL 20 HA VAL 20 -0.157 23.295 -13.780 97 HB VAL 20 HB VAL 20 -2.291 23.377 -11.684 98 1HG1 VAL 20 1HG1 VAL 20 -1.985 24.138 -14.573 99 2HG1 VAL 20 2HG1 VAL 20 -3.605 23.778 -13.930 100 3HG1 VAL 20 3HG1 VAL 20 -2.630 25.080 -13.208 101 1HG2 VAL 20 1HG2 VAL 20 -1.980 21.257 -13.817 102 2HG2 VAL 20 2HG2 VAL 20 -2.318 21.053 -12.081 103 3HG2 VAL 20 3HG2 VAL 20 -3.570 21.714 -13.160 104 H GLY 21 HN GLY 21 0.525 25.395 -13.552 105 1HA GLY 21 1HA GLY 21 0.807 26.477 -10.840 106 2HA GLY 21 2HA GLY 21 2.247 26.326 -11.828 107 H ASN 22 HN ASN 22 1.891 28.839 -11.198 108 HA ASN 22 HA ASN 22 1.642 30.852 -11.964 109 1HB ASN 22 2HB ASN 22 2.371 29.545 -14.194 110 2HB ASN 22 3HB ASN 22 0.733 29.907 -14.700 111 1HD2 ASN 22 1HD2 ASN 22 1.086 31.398 -16.216 112 2HD2 ASN 22 2HD2 ASN 22 1.831 32.941 -15.966 113 H ILE 23 HN ILE 23 -0.652 29.344 -10.832 114 HA ILE 23 HA ILE 23 -2.911 30.409 -12.349 115 HB ILE 23 HB ILE 23 -3.146 28.638 -9.948 116 1HG1 ILE 23 2HG1 ILE 23 -2.553 27.635 -12.747 117 2HG1 ILE 23 3HG1 ILE 23 -1.396 27.651 -11.431 118 1HG2 ILE 23 1HG2 ILE 23 -4.785 29.197 -12.420 119 2HG2 ILE 23 2HG2 ILE 23 -5.077 27.779 -11.384 120 3HG2 ILE 23 3HG2 ILE 23 -5.225 29.419 -10.709 121 1HD1 ILE 23 1HD1 ILE 23 -3.423 26.392 -10.152 122 2HD1 ILE 23 2HD1 ILE 23 -3.808 25.915 -11.823 123 3HD1 ILE 23 3HD1 ILE 23 -2.219 25.514 -11.126 124 HA PRO 24 HA PRO 24 -3.331 33.602 -9.463 125 1HB PRO 24 2HB PRO 24 -5.847 34.464 -10.092 126 2HB PRO 24 3HB PRO 24 -4.421 34.929 -10.997 127 1HG PRO 24 2HG PRO 24 -6.534 32.997 -11.733 128 2HG PRO 24 3HG PRO 24 -5.359 33.784 -12.767 129 1HD PRO 24 2HD PRO 24 -5.281 31.073 -11.833 130 2HD PRO 24 3HD PRO 24 -4.049 31.895 -12.770 131 H TYR 25 HN TYR 25 -5.607 34.533 -8.161 132 HA TYR 25 HA TYR 25 -5.898 32.316 -6.282 133 1HB TYR 25 2HB TYR 25 -6.166 35.353 -6.360 134 2HB TYR 25 3HB TYR 25 -7.054 34.495 -5.116 135 HD1 TYR 25 HD1 TYR 25 -3.859 35.821 -6.105 136 HD2 TYR 25 HD2 TYR 25 -5.745 33.001 -3.498 137 HE1 TYR 25 HE1 TYR 25 -1.778 35.767 -4.646 138 HE2 TYR 25 HE2 TYR 25 -3.657 32.957 -2.048 139 HH TYR 25 HH TYR 25 -1.404 33.422 -2.125 140 H GLU 26 HN GLU 26 -7.672 34.264 -8.644 141 HA GLU 26 HA GLU 26 -10.211 33.607 -7.576 142 1HB GLU 26 2HB GLU 26 -9.164 35.381 -9.547 143 2HB GLU 26 3HB GLU 26 -10.295 34.341 -10.389 144 1HG GLU 26 2HG GLU 26 -11.504 36.282 -9.514 145 2HG GLU 26 3HG GLU 26 -12.039 34.849 -8.659 146 H ALA 27 HN ALA 27 -7.841 31.825 -9.224 147 HA ALA 27 HA ALA 27 -9.833 30.129 -10.544 148 1HB ALA 27 1HB ALA 27 -7.173 31.051 -11.194 149 2HB ALA 27 2HB ALA 27 -7.179 29.274 -11.099 150 3HB ALA 27 3HB ALA 27 -8.308 30.111 -12.192 151 H THR 28 HN THR 28 -10.678 28.936 -8.813 152 HA THR 28 HA THR 28 -8.787 27.642 -7.015 153 HB THR 28 HB THR 28 -10.725 27.274 -5.652 154 HG1 THR 28 HG1 THR 28 -12.220 27.943 -8.086 155 1HG2 THR 28 1HG2 THR 28 -11.770 29.674 -7.180 156 2HG2 THR 28 2HG2 THR 28 -11.732 29.397 -5.423 157 3HG2 THR 28 3HG2 THR 28 -10.237 29.824 -6.289 158 H GLU 29 HN GLU 29 -9.490 25.253 -6.424 159 HA GLU 29 HA GLU 29 -8.771 23.747 -8.605 160 1HB GLU 29 2HB GLU 29 -9.822 23.198 -5.856 161 2HB GLU 29 3HB GLU 29 -9.936 21.877 -7.002 162 1HG GLU 29 2HG GLU 29 -7.464 22.236 -7.539 163 2HG GLU 29 3HG GLU 29 -7.404 23.397 -6.228 164 H GLU 30 HN GLU 30 -11.955 24.810 -7.441 165 HA GLU 30 HA GLU 30 -13.479 22.927 -8.790 166 1HB GLU 30 2HB GLU 30 -13.966 25.043 -7.067 167 2HB GLU 30 3HB GLU 30 -14.655 25.641 -8.563 168 1HG GLU 30 2HG GLU 30 -16.465 24.310 -8.280 169 2HG GLU 30 3HG GLU 30 -15.441 22.888 -8.326 170 H GLN 31 HN GLN 31 -11.895 25.950 -9.818 171 HA GLN 31 HA GLN 31 -13.304 25.947 -12.310 172 1HB GLN 31 2HB GLN 31 -11.093 27.680 -11.144 173 2HB GLN 31 3HB GLN 31 -11.658 27.882 -12.790 174 1HG GLN 31 2HG GLN 31 -14.043 27.781 -11.324 175 2HG GLN 31 3HG GLN 31 -12.963 28.651 -10.252 176 1HE2 GLN 31 1HE2 GLN 31 -15.253 29.136 -12.393 177 2HE2 GLN 31 2HE2 GLN 31 -14.758 30.603 -13.170 178 H LEU 32 HN LEU 32 -9.989 25.245 -11.061 179 HA LEU 32 HA LEU 32 -8.779 24.802 -13.520 180 1HB LEU 32 2HB LEU 32 -8.256 23.961 -10.700 181 2HB LEU 32 3HB LEU 32 -7.327 23.227 -11.992 182 HG LEU 32 HG LEU 32 -7.512 26.209 -11.483 183 1HD1 LEU 32 1HD1 LEU 32 -6.326 24.654 -9.747 184 2HD1 LEU 32 2HD1 LEU 32 -5.044 24.580 -10.980 185 3HD1 LEU 32 3HD1 LEU 32 -5.536 26.150 -10.300 186 1HD2 LEU 32 1HD2 LEU 32 -6.804 24.883 -13.813 187 2HD2 LEU 32 2HD2 LEU 32 -6.395 26.559 -13.377 188 3HD2 LEU 32 3HD2 LEU 32 -5.243 25.245 -13.038 189 H LYS 33 HN LYS 33 -10.481 22.518 -11.282 190 HA LYS 33 HA LYS 33 -10.067 20.240 -12.808 191 1HB LYS 33 2HB LYS 33 -11.075 20.682 -10.389 192 2HB LYS 33 3HB LYS 33 -12.599 20.593 -11.248 193 1HG LYS 33 2HG LYS 33 -12.415 18.339 -11.588 194 2HG LYS 33 3HG LYS 33 -10.731 18.453 -12.059 195 1HD LYS 33 2HD LYS 33 -10.543 17.263 -10.054 196 2HD LYS 33 3HD LYS 33 -10.307 18.903 -9.483 197 1HE LYS 33 2HE LYS 33 -13.158 18.026 -9.603 198 2HE LYS 33 3HE LYS 33 -12.171 17.148 -8.452 199 1HZ LYS 33 1HZ LYS 33 -12.653 20.032 -8.559 200 2HZ LYS 33 2HZ LYS 33 -12.954 19.001 -7.329 201 3HZ LYS 33 3HZ LYS 33 -11.415 19.408 -7.696 202 H ASP 34 HN ASP 34 -12.504 22.858 -13.045 203 HA ASP 34 HA ASP 34 -14.143 21.536 -14.856 204 1HB ASP 34 2HB ASP 34 -14.140 23.979 -13.517 205 2HB ASP 34 3HB ASP 34 -13.910 24.481 -15.180 206 H ILE 35 HN ILE 35 -11.188 23.558 -15.129 207 HA ILE 35 HA ILE 35 -11.344 23.943 -17.924 208 HB ILE 35 HB ILE 35 -9.013 24.096 -16.010 209 1HG1 ILE 35 2HG1 ILE 35 -10.362 26.518 -17.102 210 2HG1 ILE 35 3HG1 ILE 35 -11.233 25.611 -15.881 211 1HG2 ILE 35 1HG2 ILE 35 -8.902 24.012 -18.776 212 2HG2 ILE 35 2HG2 ILE 35 -8.888 25.753 -18.407 213 3HG2 ILE 35 3HG2 ILE 35 -7.665 24.681 -17.684 214 1HD1 ILE 35 1HD1 ILE 35 -9.866 26.358 -14.232 215 2HD1 ILE 35 2HD1 ILE 35 -8.411 25.894 -15.146 216 3HD1 ILE 35 3HD1 ILE 35 -9.172 27.477 -15.431 217 H PHE 36 HN PHE 36 -9.595 21.588 -15.802 218 HA PHE 36 HA PHE 36 -8.399 20.243 -17.971 219 1HB PHE 36 2HB PHE 36 -8.958 19.832 -15.013 220 2HB PHE 36 3HB PHE 36 -8.446 18.427 -15.926 221 HD1 PHE 36 HD1 PHE 36 -6.195 18.299 -16.857 222 HD2 PHE 36 HD2 PHE 36 -7.430 21.671 -14.596 223 HE1 PHE 36 HE1 PHE 36 -3.800 19.006 -16.603 224 HE2 PHE 36 HE2 PHE 36 -5.035 22.378 -14.342 225 HZ PHE 36 HZ PHE 36 -3.249 21.037 -15.349 226 H SER 37 HN SER 37 -11.556 20.038 -16.356 227 HA SER 37 HA SER 37 -12.183 17.452 -17.133 228 1HB SER 37 2HB SER 37 -14.473 18.038 -16.577 229 2HB SER 37 3HB SER 37 -13.412 18.819 -15.421 230 HG SER 37 HG SER 37 -13.583 20.661 -17.225 231 H GLU 38 HN GLU 38 -12.407 20.629 -18.777 232 HA GLU 38 HA GLU 38 -14.011 19.701 -20.883 233 1HB GLU 38 2HB GLU 38 -13.949 21.877 -21.586 234 2HB GLU 38 3HB GLU 38 -13.265 22.163 -19.999 235 1HG GLU 38 2HG GLU 38 -10.957 21.904 -20.964 236 2HG GLU 38 3HG GLU 38 -11.660 21.666 -22.551 237 H VAL 39 HN VAL 39 -10.760 19.085 -20.022 238 HA VAL 39 HA VAL 39 -10.009 18.592 -22.812 239 HB VAL 39 HB VAL 39 -8.171 18.471 -20.438 240 1HG1 VAL 39 1HG1 VAL 39 -7.915 18.697 -23.410 241 2HG1 VAL 39 2HG1 VAL 39 -6.683 19.488 -22.397 242 3HG1 VAL 39 3HG1 VAL 39 -6.969 17.737 -22.248 243 1HG2 VAL 39 1HG2 VAL 39 -7.666 20.954 -21.276 244 2HG2 VAL 39 2HG2 VAL 39 -9.398 20.895 -21.683 245 3HG2 VAL 39 3HG2 VAL 39 -8.867 20.608 -20.008 246 H GLY 40 HN GLY 40 -11.705 17.054 -20.525 247 1HA GLY 40 1HA GLY 40 -11.890 14.616 -21.330 248 2HA GLY 40 2HA GLY 40 -10.255 14.498 -20.711 249 HA PRO 41 HA PRO 41 -13.199 13.796 -17.265 250 1HB PRO 41 2HB PRO 41 -12.674 11.160 -16.770 251 2HB PRO 41 3HB PRO 41 -14.018 11.701 -17.756 252 1HG PRO 41 2HG PRO 41 -11.462 10.488 -18.611 253 2HG PRO 41 3HG PRO 41 -12.959 10.639 -19.508 254 1HD PRO 41 2HD PRO 41 -10.596 12.232 -19.833 255 2HD PRO 41 3HD PRO 41 -12.132 12.457 -20.647 256 H VAL 42 HN VAL 42 -12.555 14.704 -15.426 257 HA VAL 42 HA VAL 42 -9.760 14.262 -14.752 258 HB VAL 42 HB VAL 42 -11.887 16.221 -13.917 259 1HG1 VAL 42 1HG1 VAL 42 -10.975 16.396 -11.885 260 2HG1 VAL 42 2HG1 VAL 42 -9.665 15.268 -12.308 261 3HG1 VAL 42 3HG1 VAL 42 -9.498 17.002 -12.672 262 1HG2 VAL 42 1HG2 VAL 42 -10.496 17.861 -14.902 263 2HG2 VAL 42 2HG2 VAL 42 -9.098 16.761 -14.960 264 3HG2 VAL 42 3HG2 VAL 42 -10.487 16.492 -16.039 265 H VAL 43 HN VAL 43 -9.061 13.224 -12.880 266 HA VAL 43 HA VAL 43 -11.121 11.629 -11.576 267 HB VAL 43 HB VAL 43 -8.102 11.471 -11.468 268 1HG1 VAL 43 1HG1 VAL 43 -8.396 9.305 -10.448 269 2HG1 VAL 43 2HG1 VAL 43 -9.313 10.503 -9.503 270 3HG1 VAL 43 3HG1 VAL 43 -10.164 9.411 -10.621 271 1HG2 VAL 43 1HG2 VAL 43 -8.361 9.527 -12.981 272 2HG2 VAL 43 2HG2 VAL 43 -10.098 9.890 -13.124 273 3HG2 VAL 43 3HG2 VAL 43 -8.893 11.051 -13.732 274 H SER 44 HN SER 44 -8.071 13.263 -10.459 275 HA SER 44 HA SER 44 -9.672 14.460 -8.354 276 1HB SER 44 2HB SER 44 -7.764 12.326 -7.996 277 2HB SER 44 3HB SER 44 -7.102 13.771 -7.258 278 HG SER 44 HG SER 44 -8.382 12.723 -5.701 279 H PHE 45 HN PHE 45 -8.137 16.130 -7.088 280 HA PHE 45 HA PHE 45 -5.955 17.165 -8.573 281 1HB PHE 45 2HB PHE 45 -8.278 17.844 -9.727 282 2HB PHE 45 3HB PHE 45 -8.442 18.933 -8.363 283 HD1 PHE 45 HD1 PHE 45 -5.338 19.450 -8.242 284 HD2 PHE 45 HD2 PHE 45 -8.242 19.654 -11.330 285 HE1 PHE 45 HE1 PHE 45 -3.944 21.160 -9.440 286 HE2 PHE 45 HE2 PHE 45 -6.848 21.364 -12.528 287 HZ PHE 45 HZ PHE 45 -4.716 22.096 -11.568 288 H ARG 46 HN ARG 46 -4.627 17.742 -6.923 289 HA ARG 46 HA ARG 46 -5.870 19.238 -4.765 290 1HB ARG 46 2HB ARG 46 -3.858 16.952 -4.557 291 2HB ARG 46 3HB ARG 46 -4.105 18.085 -3.243 292 1HG ARG 46 2HG ARG 46 -6.720 17.353 -3.933 293 2HG ARG 46 3HG ARG 46 -5.827 15.860 -4.150 294 1HD ARG 46 2HD ARG 46 -4.860 17.003 -1.714 295 2HD ARG 46 3HD ARG 46 -6.604 17.176 -1.668 296 HE ARG 46 HE ARG 46 -6.755 14.875 -1.349 297 1HH1 ARG 46 2HH2 ARG 46 -3.722 15.570 -2.992 298 2HH1 ARG 46 1HH2 ARG 46 -3.190 13.922 -2.978 299 1HH2 ARG 46 2HH1 ARG 46 -6.053 12.701 -1.330 300 2HH2 ARG 46 1HH1 ARG 46 -4.525 12.279 -2.027 301 H LEU 47 HN LEU 47 -4.797 21.159 -4.297 302 HA LEU 47 HA LEU 47 -2.140 21.467 -5.512 303 1HB LEU 47 2HB LEU 47 -2.658 23.829 -5.750 304 2HB LEU 47 3HB LEU 47 -3.777 22.814 -6.639 305 HG LEU 47 HG LEU 47 -5.351 23.081 -4.611 306 1HD1 LEU 47 1HD1 LEU 47 -4.917 25.423 -3.543 307 2HD1 LEU 47 2HD1 LEU 47 -4.098 23.981 -2.896 308 3HD1 LEU 47 3HD1 LEU 47 -3.221 25.096 -3.972 309 1HD2 LEU 47 1HD2 LEU 47 -4.820 25.593 -6.205 310 2HD2 LEU 47 2HD2 LEU 47 -5.563 24.134 -6.902 311 3HD2 LEU 47 3HD2 LEU 47 -6.369 24.992 -5.566 312 H VAL 48 HN VAL 48 -1.031 23.531 -4.302 313 HA VAL 48 HA VAL 48 -0.808 22.609 -1.568 314 HB VAL 48 HB VAL 48 1.056 24.380 -1.611 315 1HG1 VAL 48 1HG1 VAL 48 1.114 21.890 -3.342 316 2HG1 VAL 48 2HG1 VAL 48 2.564 22.823 -2.898 317 3HG1 VAL 48 3HG1 VAL 48 1.585 22.044 -1.632 318 1HG2 VAL 48 1HG2 VAL 48 1.170 24.096 -4.559 319 2HG2 VAL 48 2HG2 VAL 48 -0.092 25.187 -3.937 320 3HG2 VAL 48 3HG2 VAL 48 1.615 25.469 -3.516 321 H TYR 49 HN TYR 49 -1.896 23.513 0.097 322 HA TYR 49 HA TYR 49 -2.825 26.281 -0.280 323 1HB TYR 49 2HB TYR 49 -4.118 23.677 0.416 324 2HB TYR 49 3HB TYR 49 -4.482 24.926 1.589 325 HD1 TYR 49 HD1 TYR 49 -5.319 27.225 0.585 326 HD2 TYR 49 HD2 TYR 49 -5.439 23.490 -1.498 327 HE1 TYR 49 HE1 TYR 49 -7.130 28.132 -0.953 328 HE2 TYR 49 HE2 TYR 49 -7.249 24.409 -3.029 329 HH TYR 49 HH TYR 49 -8.471 27.720 -2.588 330 H ASP 50 HN ASP 50 -1.926 27.665 1.155 331 HA ASP 50 HA ASP 50 -0.462 26.621 3.335 332 1HB ASP 50 2HB ASP 50 -1.084 29.350 2.210 333 2HB ASP 50 3HB ASP 50 -0.493 29.270 3.858 334 H ARG 51 HN ARG 51 -1.552 25.924 5.186 335 HA ARG 51 HA ARG 51 -4.157 26.802 5.731 336 1HB ARG 51 2HB ARG 51 -2.117 25.175 7.313 337 2HB ARG 51 3HB ARG 51 -3.707 25.527 7.958 338 1HG ARG 51 2HG ARG 51 -4.801 24.371 6.107 339 2HG ARG 51 3HG ARG 51 -3.289 24.212 5.237 340 1HD ARG 51 2HD ARG 51 -3.779 22.072 6.302 341 2HD ARG 51 3HD ARG 51 -2.394 22.776 7.113 342 HE ARG 51 HE ARG 51 -4.994 23.441 8.331 343 1HH1 ARG 51 2HH2 ARG 51 -2.241 21.249 8.318 344 2HH1 ARG 51 1HH2 ARG 51 -2.521 20.684 9.931 345 1HH2 ARG 51 2HH1 ARG 51 -5.363 22.696 10.459 346 2HH2 ARG 51 1HH1 ARG 51 -4.309 21.512 11.157 347 H GLU 52 HN GLU 52 -0.910 27.856 6.636 348 HA GLU 52 HA GLU 52 -1.624 29.176 8.997 349 1HB GLU 52 2HB GLU 52 0.743 28.873 7.296 350 2HB GLU 52 3HB GLU 52 0.617 30.509 7.911 351 1HG GLU 52 2HG GLU 52 1.849 29.295 9.572 352 2HG GLU 52 3HG GLU 52 0.243 29.501 10.240 353 H THR 53 HN THR 53 -1.755 30.008 5.544 354 HA THR 53 HA THR 53 -2.684 32.703 6.291 355 HB THR 53 HB THR 53 -0.583 32.630 4.931 356 HG1 THR 53 HG1 THR 53 -1.562 34.004 3.256 357 1HG2 THR 53 1HG2 THR 53 -1.966 30.532 3.528 358 2HG2 THR 53 2HG2 THR 53 -1.804 31.902 2.403 359 3HG2 THR 53 3HG2 THR 53 -0.357 31.200 3.166 360 H GLY 54 HN GLY 54 -3.778 29.650 5.518 361 1HA GLY 54 1HA GLY 54 -5.714 28.850 4.703 362 2HA GLY 54 2HA GLY 54 -6.414 30.385 5.176 363 H LYS 55 HN LYS 55 -3.764 30.575 2.895 364 HA LYS 55 HA LYS 55 -5.720 30.940 0.732 365 1HB LYS 55 2HB LYS 55 -3.517 32.662 1.709 366 2HB LYS 55 3HB LYS 55 -3.604 32.476 -0.031 367 1HG LYS 55 2HG LYS 55 -5.450 33.796 -0.163 368 2HG LYS 55 3HG LYS 55 -6.285 32.861 1.061 369 1HD LYS 55 2HD LYS 55 -5.385 34.169 2.851 370 2HD LYS 55 3HD LYS 55 -4.109 34.830 1.849 371 1HE LYS 55 2HE LYS 55 -5.430 36.612 1.379 372 2HE LYS 55 3HE LYS 55 -6.548 35.545 0.553 373 1HZ LYS 55 1HZ LYS 55 -7.787 35.279 2.474 374 2HZ LYS 55 2HZ LYS 55 -6.611 35.833 3.463 375 3HZ LYS 55 3HZ LYS 55 -7.415 36.869 2.490 376 HA PRO 56 HA PRO 56 -3.445 27.926 -1.362 377 1HB PRO 56 2HB PRO 56 -4.245 28.384 -3.935 378 2HB PRO 56 3HB PRO 56 -5.206 27.485 -2.778 379 1HG PRO 56 2HG PRO 56 -5.596 30.244 -3.765 380 2HG PRO 56 3HG PRO 56 -6.745 29.193 -2.962 381 1HD PRO 56 2HD PRO 56 -5.332 31.399 -1.796 382 2HD PRO 56 3HD PRO 56 -6.391 30.277 -0.966 383 H LYS 57 HN LYS 57 -1.428 27.526 -2.123 384 HA LYS 57 HA LYS 57 0.307 29.653 -2.273 385 1HB LYS 57 2HB LYS 57 0.374 26.783 -2.685 386 2HB LYS 57 3HB LYS 57 1.405 27.593 -3.847 387 1HG LYS 57 2HG LYS 57 1.486 28.316 -0.891 388 2HG LYS 57 3HG LYS 57 2.428 26.983 -1.527 389 1HD LYS 57 2HD LYS 57 3.972 28.382 -2.444 390 2HD LYS 57 3HD LYS 57 2.739 29.366 -3.207 391 1HE LYS 57 2HE LYS 57 2.530 30.804 -1.345 392 2HE LYS 57 3HE LYS 57 3.137 29.607 -0.218 393 1HZ LYS 57 1HZ LYS 57 4.571 31.550 -1.577 394 2HZ LYS 57 2HZ LYS 57 5.127 30.463 -0.493 395 3HZ LYS 57 3HZ LYS 57 5.121 30.099 -2.085 396 H GLY 58 HN GLY 58 -1.082 27.740 -5.037 397 1HA GLY 58 1HA GLY 58 -2.012 29.484 -6.716 398 2HA GLY 58 2HA GLY 58 -0.324 29.939 -6.833 399 H TYR 59 HN TYR 59 0.268 26.892 -6.159 400 HA TYR 59 HA TYR 59 -0.285 25.900 -8.874 401 1HB TYR 59 2HB TYR 59 2.041 24.818 -8.556 402 2HB TYR 59 3HB TYR 59 2.082 26.567 -8.669 403 HD1 TYR 59 HD1 TYR 59 2.657 23.676 -6.520 404 HD2 TYR 59 HD2 TYR 59 2.459 27.948 -6.633 405 HE1 TYR 59 HE1 TYR 59 3.877 23.799 -4.293 406 HE2 TYR 59 HE2 TYR 59 3.681 28.056 -4.405 407 HH TYR 59 HH TYR 59 5.022 25.166 -2.944 408 H GLY 60 HN GLY 60 -0.343 23.528 -9.068 409 1HA GLY 60 1HA GLY 60 -0.374 21.924 -6.687 410 2HA GLY 60 2HA GLY 60 -1.983 22.268 -7.290 411 H PHE 61 HN PHE 61 -1.882 19.783 -7.524 412 HA PHE 61 HA PHE 61 -0.910 19.211 -10.227 413 1HB PHE 61 2HB PHE 61 -0.821 17.445 -7.706 414 2HB PHE 61 3HB PHE 61 -0.305 16.922 -9.296 415 HD1 PHE 61 HD1 PHE 61 0.426 19.459 -6.676 416 HD2 PHE 61 HD2 PHE 61 1.908 17.227 -9.967 417 HE1 PHE 61 HE1 PHE 61 2.744 20.296 -6.200 418 HE2 PHE 61 HE2 PHE 61 4.226 18.064 -9.491 419 HZ PHE 61 HZ PHE 61 4.616 19.589 -7.613 420 H CYS 62 HN CYS 62 -2.322 18.032 -11.517 421 HA CYS 62 HA CYS 62 -4.833 17.292 -10.202 422 1HB CYS 62 2HB CYS 62 -4.994 19.169 -11.849 423 2HB CYS 62 3HB CYS 62 -4.436 18.083 -13.106 424 HG CYS 62 HG CYS 62 -6.908 18.106 -13.519 425 H GLU 63 HN GLU 63 -5.290 15.110 -10.201 426 HA GLU 63 HA GLU 63 -3.563 13.455 -11.842 427 1HB GLU 63 2HB GLU 63 -4.802 11.650 -10.269 428 2HB GLU 63 3HB GLU 63 -3.385 12.536 -9.742 429 1HG GLU 63 2HG GLU 63 -6.163 13.677 -9.286 430 2HG GLU 63 3HG GLU 63 -5.507 12.480 -8.187 431 H TYR 64 HN TYR 64 -4.341 12.462 -13.657 432 HA TYR 64 HA TYR 64 -7.199 12.667 -14.159 433 1HB TYR 64 2HB TYR 64 -4.580 12.382 -15.606 434 2HB TYR 64 3HB TYR 64 -5.879 11.460 -16.334 435 HD1 TYR 64 HD1 TYR 64 -8.133 12.806 -16.734 436 HD2 TYR 64 HD2 TYR 64 -4.284 14.606 -16.234 437 HE1 TYR 64 HE1 TYR 64 -8.953 14.904 -17.912 438 HE2 TYR 64 HE2 TYR 64 -5.117 16.699 -17.413 439 HH TYR 64 HH TYR 64 -8.189 17.462 -17.770 440 H GLN 65 HN GLN 65 -7.572 10.538 -15.938 441 HA GLN 65 HA GLN 65 -7.270 8.288 -14.107 442 1HB GLN 65 2HB GLN 65 -9.618 9.399 -15.092 443 2HB GLN 65 3HB GLN 65 -9.355 8.066 -16.200 444 1HG GLN 65 2HG GLN 65 -8.947 6.606 -14.081 445 2HG GLN 65 3HG GLN 65 -9.622 7.942 -13.169 446 1HE2 GLN 65 1HE2 GLN 65 -11.662 7.722 -12.709 447 2HE2 GLN 65 2HE2 GLN 65 -12.888 6.967 -13.671 448 H ASP 66 HN ASP 66 -6.339 9.640 -17.115 449 HA ASP 66 HA ASP 66 -5.296 7.050 -17.888 450 1HB ASP 66 2HB ASP 66 -6.029 8.732 -20.197 451 2HB ASP 66 3HB ASP 66 -6.301 7.020 -19.942 452 H GLN 67 HN GLN 67 -3.125 7.243 -18.586 453 HA GLN 67 HA GLN 67 -1.778 9.584 -18.096 454 1HB GLN 67 2HB GLN 67 -1.178 6.914 -19.111 455 2HB GLN 67 3HB GLN 67 -0.226 8.113 -19.964 456 1HG GLN 67 2HG GLN 67 0.918 8.790 -18.045 457 2HG GLN 67 3HG GLN 67 -0.417 8.406 -16.977 458 1HE2 GLN 67 1HE2 GLN 67 -0.123 6.753 -15.709 459 2HE2 GLN 67 2HE2 GLN 67 0.861 5.357 -16.002 460 H GLU 68 HN GLU 68 -3.214 8.280 -21.113 461 HA GLU 68 HA GLU 68 -1.991 10.073 -22.839 462 1HB GLU 68 2HB GLU 68 -3.066 8.079 -23.695 463 2HB GLU 68 3HB GLU 68 -4.612 8.534 -23.005 464 1HG GLU 68 2HG GLU 68 -3.416 10.559 -24.844 465 2HG GLU 68 3HG GLU 68 -3.864 9.045 -25.607 466 H THR 69 HN THR 69 -4.948 10.269 -20.820 467 HA THR 69 HA THR 69 -5.932 12.652 -21.990 468 HB THR 69 HB THR 69 -6.370 11.333 -19.259 469 HG1 THR 69 HG1 THR 69 -8.169 10.438 -20.503 470 1HG2 THR 69 1HG2 THR 69 -8.419 12.591 -19.123 471 2HG2 THR 69 2HG2 THR 69 -7.178 13.795 -19.548 472 3HG2 THR 69 3HG2 THR 69 -8.268 13.158 -20.803 473 H ALA 70 HN ALA 70 -3.714 11.961 -19.248 474 HA ALA 70 HA ALA 70 -3.595 14.638 -18.377 475 1HB ALA 70 1HB ALA 70 -1.176 13.147 -17.835 476 2HB ALA 70 2HB ALA 70 -2.475 13.624 -16.716 477 3HB ALA 70 3HB ALA 70 -2.593 12.093 -17.616 478 H LEU 71 HN LEU 71 -1.767 12.684 -20.777 479 HA LEU 71 HA LEU 71 0.202 14.669 -21.217 480 1HB LEU 71 2HB LEU 71 1.164 12.996 -22.268 481 2HB LEU 71 3HB LEU 71 -0.240 12.006 -21.919 482 HG LEU 71 HG LEU 71 -1.254 12.885 -24.083 483 1HD1 LEU 71 1HD1 LEU 71 1.432 14.171 -24.196 484 2HD1 LEU 71 2HD1 LEU 71 0.758 13.514 -25.707 485 3HD1 LEU 71 3HD1 LEU 71 -0.146 14.743 -24.789 486 1HD2 LEU 71 1HD2 LEU 71 0.422 11.420 -25.479 487 2HD2 LEU 71 2HD2 LEU 71 1.094 11.039 -23.875 488 3HD2 LEU 71 3HD2 LEU 71 -0.614 10.686 -24.231 489 H SER 72 HN SER 72 -2.855 13.721 -22.911 490 HA SER 72 HA SER 72 -2.609 15.558 -24.948 491 1HB SER 72 2HB SER 72 -4.257 13.600 -24.713 492 2HB SER 72 3HB SER 72 -5.233 14.646 -23.701 493 HG SER 72 HG SER 72 -6.099 15.184 -25.605 494 H ALA 73 HN ALA 73 -3.905 15.825 -21.611 495 HA ALA 73 HA ALA 73 -5.103 18.351 -21.952 496 1HB ALA 73 1HB ALA 73 -3.972 17.192 -19.384 497 2HB ALA 73 2HB ALA 73 -5.355 18.295 -19.580 498 3HB ALA 73 3HB ALA 73 -5.482 16.603 -20.118 499 H MET 74 HN MET 74 -1.806 17.224 -21.088 500 HA MET 74 HA MET 74 -0.857 19.687 -20.248 501 1HB MET 74 2HB MET 74 0.110 17.039 -20.631 502 2HB MET 74 3HB MET 74 1.135 18.021 -21.659 503 1HG MET 74 2HG MET 74 0.885 19.476 -19.217 504 2HG MET 74 3HG MET 74 1.131 17.806 -18.747 505 1HE MET 74 1HE MET 74 4.511 16.825 -20.132 506 2HE MET 74 2HE MET 74 3.033 16.389 -19.242 507 3HE MET 74 3HE MET 74 2.998 16.518 -21.017 508 H ARG 75 HN ARG 75 -0.847 18.089 -23.496 509 HA ARG 75 HA ARG 75 0.517 20.272 -24.662 510 1HB ARG 75 2HB ARG 75 0.605 17.880 -25.508 511 2HB ARG 75 3HB ARG 75 -1.067 18.028 -26.012 512 1HG ARG 75 2HG ARG 75 0.114 20.295 -27.147 513 2HG ARG 75 3HG ARG 75 1.382 19.094 -27.288 514 1HD ARG 75 2HD ARG 75 0.036 18.923 -29.292 515 2HD ARG 75 3HD ARG 75 -0.325 17.508 -28.322 516 HE ARG 75 HE ARG 75 -2.121 19.752 -27.768 517 1HH1 ARG 75 2HH2 ARG 75 -1.545 16.985 -29.864 518 2HH1 ARG 75 1HH2 ARG 75 -3.208 16.822 -30.321 519 1HH2 ARG 75 2HH1 ARG 75 -4.315 19.538 -28.370 520 2HH2 ARG 75 1HH1 ARG 75 -4.794 18.285 -29.465 521 H ASN 76 HN ASN 76 -2.826 19.386 -23.983 522 HA ASN 76 HA ASN 76 -3.972 21.007 -25.979 523 1HB ASN 76 2HB ASN 76 -4.917 19.475 -23.568 524 2HB ASN 76 3HB ASN 76 -5.962 20.774 -24.108 525 1HD2 ASN 76 1HD2 ASN 76 -5.980 17.719 -24.186 526 2HD2 ASN 76 2HD2 ASN 76 -6.433 17.315 -25.808 527 H LEU 77 HN LEU 77 -2.949 21.358 -22.559 528 HA LEU 77 HA LEU 77 -3.960 24.107 -22.551 529 1HB LEU 77 2HB LEU 77 -3.095 22.294 -20.295 530 2HB LEU 77 3HB LEU 77 -3.582 23.966 -20.103 531 HG LEU 77 HG LEU 77 -5.578 22.379 -21.543 532 1HD1 LEU 77 1HD1 LEU 77 -4.335 20.853 -19.692 533 2HD1 LEU 77 2HD1 LEU 77 -5.563 21.646 -18.675 534 3HD1 LEU 77 3HD1 LEU 77 -6.061 20.712 -20.106 535 1HD2 LEU 77 1HD2 LEU 77 -7.032 23.379 -19.722 536 2HD2 LEU 77 2HD2 LEU 77 -5.569 24.209 -19.138 537 3HD2 LEU 77 3HD2 LEU 77 -6.181 24.532 -20.778 538 H ASN 78 HN ASN 78 -1.271 22.833 -20.577 539 HA ASN 78 HA ASN 78 0.683 23.779 -20.212 540 1HB ASN 78 2HB ASN 78 1.535 22.208 -21.753 541 2HB ASN 78 3HB ASN 78 0.658 22.899 -23.104 542 1HD2 ASN 78 1HD2 ASN 78 2.184 23.360 -24.527 543 2HD2 ASN 78 2HD2 ASN 78 3.559 24.382 -24.268 544 H GLY 79 HN GLY 79 0.091 26.011 -19.701 545 1HA GLY 79 1HA GLY 79 0.503 28.233 -19.956 546 2HA GLY 79 2HA GLY 79 1.092 27.950 -21.582 547 H ARG 80 HN ARG 80 -2.093 26.903 -20.256 548 HA ARG 80 HA ARG 80 -3.331 28.260 -22.450 549 1HB ARG 80 2HB ARG 80 -4.091 25.988 -21.904 550 2HB ARG 80 3HB ARG 80 -4.422 26.445 -20.244 551 1HG ARG 80 2HG ARG 80 -6.549 26.892 -20.905 552 2HG ARG 80 3HG ARG 80 -5.910 28.311 -21.712 553 1HD ARG 80 2HD ARG 80 -6.096 27.372 -23.808 554 2HD ARG 80 3HD ARG 80 -5.573 25.791 -23.261 555 HE ARG 80 HE ARG 80 -8.251 26.591 -22.322 556 1HH1 ARG 80 2HH2 ARG 80 -6.394 24.911 -24.795 557 2HH1 ARG 80 1HH2 ARG 80 -7.733 23.951 -25.329 558 1HH2 ARG 80 2HH1 ARG 80 -10.018 25.324 -23.026 559 2HH2 ARG 80 1HH1 ARG 80 -9.808 24.187 -24.316 560 H GLU 81 HN GLU 81 -4.193 30.309 -22.282 561 HA GLU 81 HA GLU 81 -4.056 31.706 -19.892 562 1HB GLU 81 2HB GLU 81 -5.810 32.433 -22.271 563 2HB GLU 81 3HB GLU 81 -5.088 33.528 -21.109 564 1HG GLU 81 2HG GLU 81 -3.135 33.606 -22.268 565 2HG GLU 81 3HG GLU 81 -3.022 31.858 -22.324 566 H PHE 82 HN PHE 82 -5.595 32.244 -18.310 567 HA PHE 82 HA PHE 82 -8.346 31.690 -18.673 568 1HB PHE 82 2HB PHE 82 -7.397 29.370 -18.333 569 2HB PHE 82 3HB PHE 82 -6.603 29.908 -16.867 570 HD1 PHE 82 HD1 PHE 82 -9.764 28.896 -18.363 571 HD2 PHE 82 HD2 PHE 82 -7.907 30.356 -14.839 572 HE1 PHE 82 HE1 PHE 82 -11.794 28.259 -17.030 573 HE2 PHE 82 HE2 PHE 82 -9.936 29.720 -13.506 574 HZ PHE 82 HZ PHE 82 -11.856 28.679 -14.617 575 H SER 83 HN SER 83 -9.536 32.908 -17.229 576 HA SER 83 HA SER 83 -9.979 34.319 -15.642 577 1HB SER 83 2HB SER 83 -8.608 32.231 -14.343 578 2HB SER 83 3HB SER 83 -7.855 33.683 -13.714 579 HG SER 83 HG SER 83 -9.576 33.955 -12.487 580 H GLY 84 HN GLY 84 -7.550 34.648 -17.627 581 1HA GLY 84 1HA GLY 84 -6.514 36.632 -18.188 582 2HA GLY 84 2HA GLY 84 -6.730 37.233 -16.556 583 H ARG 85 HN ARG 85 -5.572 33.946 -16.752 584 HA ARG 85 HA ARG 85 -2.832 34.859 -16.619 585 1HB ARG 85 2HB ARG 85 -4.351 33.377 -14.453 586 2HB ARG 85 3HB ARG 85 -2.640 33.058 -14.650 587 1HG ARG 85 2HG ARG 85 -2.731 35.844 -14.738 588 2HG ARG 85 3HG ARG 85 -3.997 35.471 -13.585 589 1HD ARG 85 2HD ARG 85 -2.307 33.935 -12.393 590 2HD ARG 85 3HD ARG 85 -1.073 34.603 -13.443 591 HE ARG 85 HE ARG 85 -2.346 36.845 -12.373 592 1HH1 ARG 85 2HH2 ARG 85 -0.706 34.031 -11.042 593 2HH1 ARG 85 1HH2 ARG 85 -0.173 34.857 -9.616 594 1HH2 ARG 85 2HH1 ARG 85 -1.643 37.935 -10.492 595 2HH2 ARG 85 1HH1 ARG 85 -0.710 37.093 -9.301 596 H ALA 86 HN ALA 86 -1.267 33.156 -17.159 597 HA ALA 86 HA ALA 86 -2.409 31.174 -18.894 598 1HB ALA 86 1HB ALA 86 -0.284 32.612 -19.246 599 2HB ALA 86 2HB ALA 86 0.508 31.471 -18.133 600 3HB ALA 86 3HB ALA 86 -0.191 30.883 -19.660 601 H LEU 87 HN LEU 87 -2.418 28.929 -18.603 602 HA LEU 87 HA LEU 87 -1.948 28.109 -15.835 603 1HB LEU 87 2HB LEU 87 -3.898 27.436 -17.919 604 2HB LEU 87 3HB LEU 87 -3.239 26.038 -17.094 605 HG LEU 87 HG LEU 87 -5.370 26.942 -16.137 606 1HD1 LEU 87 1HD1 LEU 87 -4.471 26.953 -13.721 607 2HD1 LEU 87 2HD1 LEU 87 -4.214 25.501 -14.718 608 3HD1 LEU 87 3HD1 LEU 87 -2.882 26.654 -14.465 609 1HD2 LEU 87 1HD2 LEU 87 -3.842 29.138 -14.806 610 2HD2 LEU 87 2HD2 LEU 87 -4.424 29.391 -16.469 611 3HD2 LEU 87 3HD2 LEU 87 -5.579 29.002 -15.172 612 H ARG 88 HN ARG 88 0.245 27.679 -15.716 613 HA ARG 88 HA ARG 88 1.578 26.408 -17.829 614 1HB ARG 88 2HB ARG 88 2.304 27.779 -15.487 615 2HB ARG 88 3HB ARG 88 2.833 26.141 -15.159 616 1HG ARG 88 2HG ARG 88 4.117 26.095 -17.281 617 2HG ARG 88 3HG ARG 88 3.530 27.693 -17.697 618 1HD ARG 88 2HD ARG 88 4.700 28.698 -15.794 619 2HD ARG 88 3HD ARG 88 5.126 27.123 -15.156 620 HE ARG 88 HE ARG 88 6.109 27.380 -17.856 621 1HH1 ARG 88 2HH2 ARG 88 6.748 28.477 -14.574 622 2HH1 ARG 88 1HH2 ARG 88 8.439 28.729 -14.851 623 1HH2 ARG 88 2HH1 ARG 88 8.340 27.712 -18.222 624 2HH2 ARG 88 1HH1 ARG 88 9.351 28.291 -16.940 625 H VAL 89 HN VAL 89 0.966 24.315 -18.379 626 HA VAL 89 HA VAL 89 0.579 22.432 -16.162 627 HB VAL 89 HB VAL 89 -0.293 22.199 -19.047 628 1HG1 VAL 89 1HG1 VAL 89 -1.440 20.687 -16.704 629 2HG1 VAL 89 2HG1 VAL 89 -1.481 20.286 -18.438 630 3HG1 VAL 89 3HG1 VAL 89 0.036 20.119 -17.521 631 1HG2 VAL 89 1HG2 VAL 89 -1.755 23.832 -18.495 632 2HG2 VAL 89 2HG2 VAL 89 -2.602 22.523 -17.635 633 3HG2 VAL 89 3HG2 VAL 89 -1.507 23.610 -16.747 634 H ASP 90 HN ASP 90 2.153 20.961 -15.784 635 HA ASP 90 HA ASP 90 3.787 20.194 -18.054 636 1HB ASP 90 2HB ASP 90 5.437 20.225 -15.691 637 2HB ASP 90 3HB ASP 90 5.670 21.108 -17.186 638 H ASN 91 HN ASN 91 4.384 17.955 -17.956 639 HA ASN 91 HA ASN 91 2.879 16.184 -16.749 640 1HB ASN 91 2HB ASN 91 5.265 16.081 -18.167 641 2HB ASN 91 3HB ASN 91 5.765 15.414 -16.626 642 1HD2 ASN 91 1HD2 ASN 91 5.272 13.393 -16.109 643 2HD2 ASN 91 2HD2 ASN 91 4.257 12.323 -17.018 644 H ALA 92 HN ALA 92 2.386 15.705 -14.602 645 HA ALA 92 HA ALA 92 3.666 16.956 -12.470 646 1HB ALA 92 1HB ALA 92 2.222 15.590 -11.098 647 2HB ALA 92 2HB ALA 92 1.316 16.032 -12.565 648 3HB ALA 92 3HB ALA 92 2.014 14.403 -12.408 649 H ALA 93 HN ALA 93 4.464 14.096 -14.331 650 HA ALA 93 HA ALA 93 6.200 13.082 -12.231 651 1HB ALA 93 1HB ALA 93 6.020 11.098 -13.319 652 2HB ALA 93 2HB ALA 93 4.652 11.870 -14.156 653 3HB ALA 93 3HB ALA 93 6.260 11.843 -14.917 654 H SER 94 HN SER 94 6.786 15.737 -13.162 655 HA SER 94 HA SER 94 8.905 15.422 -15.066 656 1HB SER 94 2HB SER 94 7.352 17.644 -13.895 657 2HB SER 94 3HB SER 94 9.055 18.025 -14.057 658 HG SER 94 HG SER 94 8.500 18.481 -16.084 659 H GLU 95 HN GLU 95 11.162 16.108 -14.589 660 HA GLU 95 HA GLU 95 12.061 14.978 -12.216 661 1HB GLU 95 2HB GLU 95 13.422 16.746 -14.288 662 2HB GLU 95 3HB GLU 95 14.288 16.043 -12.936 663 1HG GLU 95 2HG GLU 95 13.035 13.801 -13.842 664 2HG GLU 95 3HG GLU 95 13.109 14.696 -15.347 665 H LYS 96 HN LYS 96 11.332 18.340 -13.205 666 HA LYS 96 HA LYS 96 12.472 19.427 -10.799 667 1HB LYS 96 2HB LYS 96 12.682 20.776 -12.733 668 2HB LYS 96 3HB LYS 96 10.995 20.584 -13.165 669 1HG LYS 96 2HG LYS 96 10.425 22.390 -11.921 670 2HG LYS 96 3HG LYS 96 11.109 21.657 -10.484 671 1HD LYS 96 2HD LYS 96 13.419 22.434 -11.345 672 2HD LYS 96 3HD LYS 96 12.556 23.377 -12.544 673 1HE LYS 96 2HE LYS 96 11.986 24.979 -11.023 674 2HE LYS 96 3HE LYS 96 11.428 23.791 -9.861 675 1HZ LYS 96 1HZ LYS 96 13.728 25.232 -9.725 676 2HZ LYS 96 2HZ LYS 96 13.319 23.970 -8.772 677 3HZ LYS 96 3HZ LYS 96 14.233 23.726 -10.103 678 H ASN 97 HN ASN 97 9.303 18.375 -12.042 679 HA ASN 97 HA ASN 97 7.831 19.638 -10.019 680 1HB ASN 97 2HB ASN 97 7.245 17.280 -11.876 681 2HB ASN 97 3HB ASN 97 6.051 17.886 -10.744 682 1HD2 ASN 97 1HD2 ASN 97 5.176 18.000 -13.127 683 2HD2 ASN 97 2HD2 ASN 97 5.255 19.564 -13.866 684 H LYS 98 HN LYS 98 9.851 16.794 -10.216 685 HA LYS 98 HA LYS 98 8.568 15.165 -8.323 686 1HB LYS 98 2HB LYS 98 10.762 14.981 -10.032 687 2HB LYS 98 3HB LYS 98 11.475 14.893 -8.434 688 1HG LYS 98 2HG LYS 98 10.867 12.700 -8.429 689 2HG LYS 98 3HG LYS 98 9.228 13.262 -8.165 690 1HD LYS 98 2HD LYS 98 8.611 12.980 -10.408 691 2HD LYS 98 3HD LYS 98 10.242 13.215 -11.003 692 1HE LYS 98 2HE LYS 98 9.935 10.834 -9.246 693 2HE LYS 98 3HE LYS 98 8.991 10.753 -10.720 694 1HZ LYS 98 1HZ LYS 98 11.796 10.590 -10.392 695 2HZ LYS 98 2HZ LYS 98 10.876 10.153 -11.669 696 3HZ LYS 98 3HZ LYS 98 11.393 11.696 -11.525 697 H GLU 99 HN GLU 99 11.140 17.692 -8.072 698 HA GLU 99 HA GLU 99 11.602 17.319 -5.372 699 1HB GLU 99 2HB GLU 99 12.763 18.810 -7.303 700 2HB GLU 99 3HB GLU 99 11.826 20.078 -6.538 701 1HG GLU 99 2HG GLU 99 13.236 20.159 -4.758 702 2HG GLU 99 3HG GLU 99 13.108 18.431 -4.498 703 H GLU 100 HN GLU 100 9.146 19.217 -7.157 704 HA GLU 100 HA GLU 100 8.277 20.629 -4.884 705 1HB GLU 100 2HB GLU 100 7.950 21.105 -7.462 706 2HB GLU 100 3HB GLU 100 6.529 20.093 -7.297 707 1HG GLU 100 2HG GLU 100 5.662 21.558 -5.488 708 2HG GLU 100 3HG GLU 100 7.109 22.544 -5.566 709 H LEU 101 HN LEU 101 7.267 17.600 -6.552 710 HA LEU 101 HA LEU 101 4.938 17.192 -5.053 711 1HB LEU 101 2HB LEU 101 6.713 15.547 -6.792 712 2HB LEU 101 3HB LEU 101 5.573 14.711 -5.757 713 HG LEU 101 HG LEU 101 4.400 16.937 -7.301 714 1HD1 LEU 101 1HD1 LEU 101 4.568 16.090 -9.444 715 2HD1 LEU 101 2HD1 LEU 101 6.204 15.807 -8.803 716 3HD1 LEU 101 3HD1 LEU 101 5.036 14.466 -8.885 717 1HD2 LEU 101 1HD2 LEU 101 2.955 15.531 -6.032 718 2HD2 LEU 101 2HD2 LEU 101 2.680 15.161 -7.751 719 3HD2 LEU 101 3HD2 LEU 101 3.652 14.058 -6.747 720 H LYS 102 HN LYS 102 8.389 16.581 -4.430 721 HA LYS 102 HA LYS 102 8.218 14.724 -2.427 722 1HB LYS 102 2HB LYS 102 10.118 17.050 -2.812 723 2HB LYS 102 3HB LYS 102 10.344 15.818 -1.587 724 1HG LYS 102 2HG LYS 102 9.800 14.384 -3.978 725 2HG LYS 102 3HG LYS 102 10.874 15.680 -4.464 726 1HD LYS 102 2HD LYS 102 12.602 14.453 -3.657 727 2HD LYS 102 3HD LYS 102 11.986 14.750 -2.043 728 1HE LYS 102 2HE LYS 102 10.917 12.665 -1.907 729 2HE LYS 102 3HE LYS 102 10.706 12.535 -3.641 730 1HZ LYS 102 1HZ LYS 102 13.216 12.380 -3.695 731 2HZ LYS 102 2HZ LYS 102 13.142 12.090 -2.090 732 3HZ LYS 102 3HZ LYS 102 12.402 11.079 -3.138 733 H SER 103 HN SER 103 7.270 18.134 -2.437 734 HA SER 103 HA SER 103 7.090 18.186 0.419 735 1HB SER 103 2HB SER 103 6.199 20.201 -1.691 736 2HB SER 103 3HB SER 103 6.176 20.493 0.036 737 HG SER 103 HG SER 103 8.106 21.365 -0.756 738 H LEU 104 HN LEU 104 4.970 17.870 -2.460 739 HA LEU 104 HA LEU 104 2.574 17.978 -0.881 740 1HB LEU 104 2HB LEU 104 3.239 18.403 -3.536 741 2HB LEU 104 3HB LEU 104 2.360 16.887 -3.579 742 HG LEU 104 HG LEU 104 0.402 17.871 -2.644 743 1HD1 LEU 104 1HD1 LEU 104 2.221 20.148 -1.924 744 2HD1 LEU 104 2HD1 LEU 104 0.476 20.428 -2.141 745 3HD1 LEU 104 3HD1 LEU 104 1.046 19.265 -0.920 746 1HD2 LEU 104 1HD2 LEU 104 0.758 18.256 -5.040 747 2HD2 LEU 104 2HD2 LEU 104 -0.164 19.579 -4.288 748 3HD2 LEU 104 3HD2 LEU 104 1.559 19.802 -4.673 749 H GLY 105 HN GLY 105 5.014 15.772 -1.011 750 1HA GLY 105 1HA GLY 105 3.357 13.382 -1.224 751 2HA GLY 105 2HA GLY 105 5.097 13.465 -1.034 752 H THR 106 HN THR 106 3.482 11.714 0.523 753 HA THR 106 HA THR 106 2.872 11.196 2.619 754 HB THR 106 HB THR 106 4.756 11.535 4.214 755 HG1 THR 106 HG1 THR 106 5.746 13.490 3.917 756 1HG2 THR 106 1HG2 THR 106 6.736 11.106 2.487 757 2HG2 THR 106 2HG2 THR 106 5.479 9.863 2.701 758 3HG2 THR 106 3HG2 THR 106 5.412 10.966 1.305 759 H GLY 107 HN GLY 107 3.084 12.360 5.119 760 1HA GLY 107 1HA GLY 107 2.330 14.072 6.428 761 2HA GLY 107 2HA GLY 107 2.038 15.054 5.006 762 H ALA 108 HN ALA 108 0.336 13.476 3.447 763 HA ALA 108 HA ALA 108 -1.886 13.313 3.216 764 1HB ALA 108 1HB ALA 108 -2.764 11.328 4.292 765 2HB ALA 108 2HB ALA 108 -1.048 11.043 3.915 766 3HB ALA 108 3HB ALA 108 -1.541 11.429 5.581 767 HA PRO 109 HA PRO 109 -3.079 16.160 6.486 768 1HB PRO 109 2HB PRO 109 -4.053 18.136 4.869 769 2HB PRO 109 3HB PRO 109 -2.403 18.107 5.459 770 1HG PRO 109 2HG PRO 109 -3.415 17.477 2.754 771 2HG PRO 109 3HG PRO 109 -1.780 17.866 3.251 772 1HD PRO 109 2HD PRO 109 -2.809 15.264 2.621 773 2HD PRO 109 3HD PRO 109 -1.210 15.639 3.230 774 H VAL 110 HN VAL 110 -5.222 17.181 7.083 775 HA VAL 110 HA VAL 110 -7.306 15.490 5.882 776 HB VAL 110 HB VAL 110 -6.638 14.794 8.157 777 1HG1 VAL 110 1HG1 VAL 110 -7.701 17.502 9.029 778 2HG1 VAL 110 2HG1 VAL 110 -7.117 16.194 10.087 779 3HG1 VAL 110 3HG1 VAL 110 -5.984 17.033 9.000 780 1HG2 VAL 110 1HG2 VAL 110 -8.872 14.282 7.449 781 2HG2 VAL 110 2HG2 VAL 110 -8.954 14.842 9.137 782 3HG2 VAL 110 3HG2 VAL 110 -9.428 15.933 7.813 783 H ILE 111 HN ILE 111 -9.385 16.468 5.594 784 HA ILE 111 HA ILE 111 -9.451 18.952 4.592 785 HB ILE 111 HB ILE 111 -11.591 17.398 6.034 786 1HG1 ILE 111 2HG1 ILE 111 -11.632 17.848 3.101 787 2HG1 ILE 111 3HG1 ILE 111 -10.338 16.827 3.697 788 1HG2 ILE 111 1HG2 ILE 111 -12.798 19.209 4.250 789 2HG2 ILE 111 2HG2 ILE 111 -12.907 19.183 6.026 790 3HG2 ILE 111 3HG2 ILE 111 -11.654 20.162 5.225 791 1HD1 ILE 111 1HD1 ILE 111 -12.804 16.109 5.051 792 2HD1 ILE 111 2HD1 ILE 111 -13.064 16.109 3.291 793 3HD1 ILE 111 3HD1 ILE 111 -11.775 15.106 4.000 Start of MODEL 9 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.359 0.309 -2.009 3 1HB ASP 8 2HB ASP 8 4.113 0.512 -1.661 4 2HB ASP 8 3HB ASP 8 3.001 1.862 -1.762 5 HA PRO 9 HA PRO 9 2.636 -3.956 -2.083 6 1HB PRO 9 2HB PRO 9 1.809 -4.512 -4.628 7 2HB PRO 9 3HB PRO 9 0.759 -4.637 -3.230 8 1HG PRO 9 2HG PRO 9 0.818 -2.550 -5.323 9 2HG PRO 9 3HG PRO 9 -0.460 -2.927 -4.184 10 1HD PRO 9 2HD PRO 9 1.377 -0.729 -4.036 11 2HD PRO 9 3HD PRO 9 0.176 -1.174 -2.840 12 H ALA 10 HN ALA 10 4.124 -5.389 -3.299 13 HA ALA 10 HA ALA 10 6.090 -3.661 -4.641 14 1HB ALA 10 1HB ALA 10 6.489 -4.896 -2.284 15 2HB ALA 10 2HB ALA 10 6.901 -6.246 -3.369 16 3HB ALA 10 3HB ALA 10 7.784 -4.705 -3.490 17 H VAL 11 HN VAL 11 4.310 -4.312 -6.407 18 HA VAL 11 HA VAL 11 4.480 -6.971 -7.382 19 HB VAL 11 HB VAL 11 3.543 -4.443 -8.752 20 1HG1 VAL 11 1HG1 VAL 11 3.731 -6.097 -10.413 21 2HG1 VAL 11 2HG1 VAL 11 3.167 -7.387 -9.323 22 3HG1 VAL 11 3HG1 VAL 11 2.022 -6.162 -9.920 23 1HG2 VAL 11 1HG2 VAL 11 2.543 -5.275 -6.405 24 2HG2 VAL 11 2HG2 VAL 11 1.530 -4.567 -7.687 25 3HG2 VAL 11 3HG2 VAL 11 1.612 -6.334 -7.492 26 H ASP 12 HN ASP 12 6.256 -3.928 -7.905 27 HA ASP 12 HA ASP 12 7.426 -4.548 -10.303 28 1HB ASP 12 2HB ASP 12 7.609 -2.513 -8.398 29 2HB ASP 12 3HB ASP 12 9.215 -3.211 -8.350 30 H ARG 13 HN ARG 13 8.147 -5.527 -6.931 31 HA ARG 13 HA ARG 13 10.702 -6.431 -7.267 32 1HB ARG 13 2HB ARG 13 9.474 -6.225 -5.077 33 2HB ARG 13 3HB ARG 13 8.510 -7.627 -5.495 34 1HG ARG 13 2HG ARG 13 11.325 -8.272 -5.839 35 2HG ARG 13 3HG ARG 13 11.086 -7.581 -4.246 36 1HD ARG 13 2HD ARG 13 9.394 -9.861 -5.380 37 2HD ARG 13 3HD ARG 13 10.783 -10.101 -4.338 38 HE ARG 13 HE ARG 13 8.148 -9.060 -3.539 39 1HH1 ARG 13 2HH2 ARG 13 11.539 -9.402 -2.663 40 2HH1 ARG 13 1HH2 ARG 13 11.255 -9.189 -0.968 41 1HH2 ARG 13 2HH1 ARG 13 7.773 -8.779 -1.302 42 2HH2 ARG 13 1HH1 ARG 13 9.098 -8.832 -0.189 43 H SER 14 HN SER 14 7.544 -7.944 -8.039 44 HA SER 14 HA SER 14 8.456 -10.526 -8.399 45 1HB SER 14 2HB SER 14 6.201 -9.165 -9.934 46 2HB SER 14 3HB SER 14 6.376 -10.884 -9.641 47 HG SER 14 HG SER 14 5.374 -8.880 -7.969 48 H LEU 15 HN LEU 15 8.586 -7.617 -10.447 49 HA LEU 15 HA LEU 15 9.129 -8.953 -12.871 50 1HB LEU 15 2HB LEU 15 9.637 -6.132 -11.925 51 2HB LEU 15 3HB LEU 15 9.958 -6.681 -13.558 52 HG LEU 15 HG LEU 15 7.649 -5.515 -12.746 53 1HD1 LEU 15 1HD1 LEU 15 7.960 -7.542 -14.977 54 2HD1 LEU 15 2HD1 LEU 15 6.667 -6.325 -14.849 55 3HD1 LEU 15 3HD1 LEU 15 8.359 -5.809 -15.052 56 1HD2 LEU 15 1HD2 LEU 15 6.880 -7.239 -11.308 57 2HD2 LEU 15 2HD2 LEU 15 5.902 -7.334 -12.792 58 3HD2 LEU 15 3HD2 LEU 15 7.219 -8.499 -12.518 59 H ARG 16 HN ARG 16 10.970 -8.375 -9.978 60 HA ARG 16 HA ARG 16 13.402 -8.924 -11.475 61 1HB ARG 16 2HB ARG 16 13.185 -7.909 -8.599 62 2HB ARG 16 3HB ARG 16 14.634 -7.961 -9.584 63 1HG ARG 16 2HG ARG 16 14.056 -6.077 -10.793 64 2HG ARG 16 3HG ARG 16 12.345 -6.458 -10.780 65 1HD ARG 16 2HD ARG 16 12.610 -4.497 -9.399 66 2HD ARG 16 3HD ARG 16 12.305 -5.829 -8.301 67 HE ARG 16 HE ARG 16 15.157 -5.361 -8.825 68 1HH1 ARG 16 2HH2 ARG 16 12.407 -4.536 -6.790 69 2HH1 ARG 16 1HH2 ARG 16 13.386 -4.008 -5.462 70 1HH2 ARG 16 2HH1 ARG 16 16.449 -4.665 -7.073 71 2HH2 ARG 16 1HH1 ARG 16 15.700 -4.082 -5.624 72 H SER 17 HN SER 17 14.888 -9.759 -9.050 73 HA SER 17 HA SER 17 15.379 -11.555 -7.937 74 1HB SER 17 2HB SER 17 12.379 -11.539 -7.648 75 2HB SER 17 3HB SER 17 13.251 -12.952 -7.091 76 HG SER 17 HG SER 17 13.514 -10.223 -6.195 77 H VAL 18 HN VAL 18 16.274 -13.422 -8.751 78 HA VAL 18 HA VAL 18 14.675 -14.891 -10.731 79 HB VAL 18 HB VAL 18 17.222 -15.425 -11.464 80 1HG1 VAL 18 1HG1 VAL 18 16.840 -13.983 -13.363 81 2HG1 VAL 18 2HG1 VAL 18 15.291 -14.718 -12.885 82 3HG1 VAL 18 3HG1 VAL 18 15.644 -13.028 -12.454 83 1HG2 VAL 18 1HG2 VAL 18 18.567 -13.427 -11.462 84 2HG2 VAL 18 2HG2 VAL 18 17.264 -12.490 -10.691 85 3HG2 VAL 18 3HG2 VAL 18 18.089 -13.781 -9.784 86 H PHE 19 HN PHE 19 14.314 -16.987 -10.202 87 HA PHE 19 HA PHE 19 15.473 -17.987 -7.793 88 1HB PHE 19 2HB PHE 19 13.095 -18.360 -8.668 89 2HB PHE 19 3HB PHE 19 13.763 -19.271 -10.008 90 HD1 PHE 19 HD1 PHE 19 12.248 -21.114 -9.255 91 HD2 PHE 19 HD2 PHE 19 15.442 -19.701 -6.844 92 HE1 PHE 19 HE1 PHE 19 12.140 -23.213 -7.883 93 HE2 PHE 19 HE2 PHE 19 15.334 -21.800 -5.472 94 HZ PHE 19 HZ PHE 19 13.685 -23.530 -6.007 95 H VAL 20 HN VAL 20 17.214 -19.328 -7.546 96 HA VAL 20 HA VAL 20 18.256 -20.571 -9.997 97 HB VAL 20 HB VAL 20 19.993 -19.626 -7.734 98 1HG1 VAL 20 1HG1 VAL 20 21.704 -19.556 -9.531 99 2HG1 VAL 20 2HG1 VAL 20 21.002 -21.176 -9.310 100 3HG1 VAL 20 3HG1 VAL 20 20.489 -20.164 -10.681 101 1HG2 VAL 20 1HG2 VAL 20 20.441 -17.569 -9.129 102 2HG2 VAL 20 2HG2 VAL 20 18.995 -17.986 -10.080 103 3HG2 VAL 20 3HG2 VAL 20 18.844 -17.621 -8.344 104 H GLY 21 HN GLY 21 18.683 -22.744 -9.868 105 1HA GLY 21 1HA GLY 21 18.794 -23.967 -7.198 106 2HA GLY 21 2HA GLY 21 17.580 -24.515 -8.336 107 H ASN 22 HN ASN 22 18.970 -26.585 -7.820 108 HA ASN 22 HA ASN 22 20.268 -28.145 -8.580 109 1HB ASN 22 2HB ASN 22 19.328 -27.182 -10.857 110 2HB ASN 22 3HB ASN 22 20.933 -26.512 -11.065 111 1HD2 ASN 22 1HD2 ASN 22 22.614 -27.775 -11.614 112 2HD2 ASN 22 2HD2 ASN 22 22.522 -29.473 -11.945 113 H ILE 23 HN ILE 23 21.326 -25.674 -7.130 114 HA ILE 23 HA ILE 23 24.052 -25.546 -8.162 115 HB ILE 23 HB ILE 23 22.999 -23.932 -5.870 116 1HG1 ILE 23 2HG1 ILE 23 22.538 -23.268 -8.792 117 2HG1 ILE 23 3HG1 ILE 23 21.299 -23.817 -7.682 118 1HG2 ILE 23 1HG2 ILE 23 25.203 -23.412 -6.075 119 2HG2 ILE 23 2HG2 ILE 23 25.256 -23.803 -7.810 120 3HG2 ILE 23 3HG2 ILE 23 24.541 -22.267 -7.266 121 1HD1 ILE 23 1HD1 ILE 23 20.985 -21.589 -7.280 122 2HD1 ILE 23 2HD1 ILE 23 22.413 -21.751 -6.231 123 3HD1 ILE 23 3HD1 ILE 23 22.597 -21.156 -7.898 124 HA PRO 24 HA PRO 24 25.025 -28.477 -5.064 125 1HB PRO 24 2HB PRO 24 27.573 -29.001 -5.899 126 2HB PRO 24 3HB PRO 24 26.166 -29.823 -6.543 127 1HG PRO 24 2HG PRO 24 27.807 -27.704 -7.791 128 2HG PRO 24 3HG PRO 24 26.689 -28.818 -8.552 129 1HD PRO 24 2HD PRO 24 26.224 -26.048 -7.974 130 2HD PRO 24 3HD PRO 24 25.068 -27.190 -8.629 131 H TYR 25 HN TYR 25 27.041 -28.884 -3.542 132 HA TYR 25 HA TYR 25 27.242 -26.433 -2.107 133 1HB TYR 25 2HB TYR 25 28.360 -29.284 -2.004 134 2HB TYR 25 3HB TYR 25 28.963 -28.089 -0.873 135 HD1 TYR 25 HD1 TYR 25 28.117 -28.595 1.232 136 HD2 TYR 25 HD2 TYR 25 25.495 -28.764 -2.144 137 HE1 TYR 25 HE1 TYR 25 26.151 -29.068 2.773 138 HE2 TYR 25 HE2 TYR 25 23.538 -29.236 -0.592 139 HH TYR 25 HH TYR 25 22.987 -28.769 1.801 140 H GLU 26 HN GLU 26 28.838 -27.560 -4.868 141 HA GLU 26 HA GLU 26 31.418 -26.575 -4.100 142 1HB GLU 26 2HB GLU 26 30.251 -27.998 -6.471 143 2HB GLU 26 3HB GLU 26 31.682 -27.027 -6.756 144 1HG GLU 26 2HG GLU 26 31.816 -28.754 -4.327 145 2HG GLU 26 3HG GLU 26 31.720 -29.631 -5.841 146 H ALA 27 HN ALA 27 28.478 -25.234 -5.140 147 HA ALA 27 HA ALA 27 29.892 -22.936 -6.313 148 1HB ALA 27 1HB ALA 27 28.391 -24.285 -7.862 149 2HB ALA 27 2HB ALA 27 27.021 -23.781 -6.844 150 3HB ALA 27 3HB ALA 27 27.980 -22.560 -7.715 151 H THR 28 HN THR 28 30.173 -21.634 -4.518 152 HA THR 28 HA THR 28 27.918 -21.311 -2.698 153 HB THR 28 HB THR 28 29.735 -19.947 -1.458 154 HG1 THR 28 HG1 THR 28 31.193 -19.515 -3.147 155 1HG2 THR 28 1HG2 THR 28 29.882 -22.886 -2.107 156 2HG2 THR 28 2HG2 THR 28 31.312 -22.153 -1.342 157 3HG2 THR 28 3HG2 THR 28 29.734 -22.088 -0.523 158 H GLU 29 HN GLU 29 27.682 -18.906 -1.867 159 HA GLU 29 HA GLU 29 26.508 -17.550 -3.948 160 1HB GLU 29 2HB GLU 29 27.142 -17.018 -1.094 161 2HB GLU 29 3HB GLU 29 26.950 -15.575 -2.068 162 1HG GLU 29 2HG GLU 29 24.768 -16.720 -2.969 163 2HG GLU 29 3HG GLU 29 24.934 -17.802 -1.601 164 H GLU 30 HN GLU 30 29.832 -17.516 -2.712 165 HA GLU 30 HA GLU 30 30.606 -15.073 -3.750 166 1HB GLU 30 2HB GLU 30 31.828 -17.326 -2.457 167 2HB GLU 30 3HB GLU 30 32.790 -16.962 -3.876 168 1HG GLU 30 2HG GLU 30 33.116 -14.658 -3.177 169 2HG GLU 30 3HG GLU 30 31.910 -14.801 -1.914 170 H GLN 31 HN GLN 31 30.186 -18.286 -5.229 171 HA GLN 31 HA GLN 31 31.473 -17.393 -7.643 172 1HB GLN 31 2HB GLN 31 30.155 -20.035 -6.881 173 2HB GLN 31 3HB GLN 31 30.904 -19.736 -8.437 174 1HG GLN 31 2HG GLN 31 32.866 -18.895 -6.615 175 2HG GLN 31 3HG GLN 31 32.167 -20.294 -5.826 176 1HE2 GLN 31 1HE2 GLN 31 34.249 -19.151 -8.228 177 2HE2 GLN 31 2HE2 GLN 31 34.644 -20.642 -9.015 178 H LEU 32 HN LEU 32 28.203 -18.330 -6.427 179 HA LEU 32 HA LEU 32 26.858 -18.119 -8.844 180 1HB LEU 32 2HB LEU 32 25.970 -17.726 -5.989 181 2HB LEU 32 3HB LEU 32 24.864 -17.700 -7.347 182 HG LEU 32 HG LEU 32 24.629 -19.892 -7.083 183 1HD1 LEU 32 1HD1 LEU 32 27.544 -20.059 -7.897 184 2HD1 LEU 32 2HD1 LEU 32 26.370 -21.396 -7.938 185 3HD1 LEU 32 3HD1 LEU 32 26.141 -19.979 -8.989 186 1HD2 LEU 32 1HD2 LEU 32 25.245 -20.773 -5.138 187 2HD2 LEU 32 2HD2 LEU 32 26.968 -20.724 -5.582 188 3HD2 LEU 32 3HD2 LEU 32 26.196 -19.296 -4.852 189 H LYS 33 HN LYS 33 27.499 -15.641 -6.280 190 HA LYS 33 HA LYS 33 26.142 -13.579 -7.593 191 1HB LYS 33 2HB LYS 33 26.690 -13.539 -5.211 192 2HB LYS 33 3HB LYS 33 28.403 -13.492 -5.574 193 1HG LYS 33 2HG LYS 33 28.348 -11.273 -6.271 194 2HG LYS 33 3HG LYS 33 26.712 -11.389 -6.888 195 1HD LYS 33 2HD LYS 33 25.783 -10.751 -4.897 196 2HD LYS 33 3HD LYS 33 26.845 -11.785 -3.962 197 1HE LYS 33 2HE LYS 33 27.321 -9.454 -3.391 198 2HE LYS 33 3HE LYS 33 28.701 -10.113 -4.245 199 1HZ LYS 33 1HZ LYS 33 28.260 -8.082 -5.237 200 2HZ LYS 33 2HZ LYS 33 27.623 -9.155 -6.289 201 3HZ LYS 33 3HZ LYS 33 26.644 -8.313 -5.289 202 H ASP 34 HN ASP 34 29.474 -14.868 -7.846 203 HA ASP 34 HA ASP 34 30.487 -12.749 -9.319 204 1HB ASP 34 2HB ASP 34 31.376 -15.267 -8.354 205 2HB ASP 34 3HB ASP 34 31.609 -15.347 -10.089 206 H ILE 35 HN ILE 35 28.773 -15.809 -10.156 207 HA ILE 35 HA ILE 35 29.166 -15.605 -12.943 208 HB ILE 35 HB ILE 35 27.111 -17.105 -11.316 209 1HG1 ILE 35 2HG1 ILE 35 29.439 -18.454 -12.589 210 2HG1 ILE 35 3HG1 ILE 35 29.781 -17.460 -11.188 211 1HG2 ILE 35 1HG2 ILE 35 27.696 -18.369 -13.802 212 2HG2 ILE 35 2HG2 ILE 35 26.146 -17.723 -13.212 213 3HG2 ILE 35 3HG2 ILE 35 27.256 -16.676 -14.129 214 1HD1 ILE 35 1HD1 ILE 35 27.397 -18.999 -10.636 215 2HD1 ILE 35 2HD1 ILE 35 28.664 -20.094 -11.240 216 3HD1 ILE 35 3HD1 ILE 35 28.977 -19.070 -9.819 217 H PHE 36 HN PHE 36 26.483 -14.653 -10.710 218 HA PHE 36 HA PHE 36 24.849 -13.667 -12.780 219 1HB PHE 36 2HB PHE 36 25.094 -13.602 -9.770 220 2HB PHE 36 3HB PHE 36 24.119 -12.323 -10.466 221 HD1 PHE 36 HD1 PHE 36 21.884 -12.787 -10.192 222 HD2 PHE 36 HD2 PHE 36 24.494 -15.959 -11.257 223 HE1 PHE 36 HE1 PHE 36 19.927 -14.353 -10.326 224 HE2 PHE 36 HE2 PHE 36 22.537 -17.525 -11.391 225 HZ PHE 36 HZ PHE 36 20.276 -16.703 -10.924 226 H SER 37 HN SER 37 27.573 -12.340 -10.944 227 HA SER 37 HA SER 37 26.979 -9.657 -11.285 228 1HB SER 37 2HB SER 37 29.606 -11.152 -10.935 229 2HB SER 37 3HB SER 37 29.536 -9.403 -11.008 230 HG SER 37 HG SER 37 29.424 -9.950 -8.826 231 H GLU 38 HN GLU 38 28.440 -12.118 -13.411 232 HA GLU 38 HA GLU 38 29.605 -10.360 -15.220 233 1HB GLU 38 2HB GLU 38 28.469 -13.040 -16.050 234 2HB GLU 38 3HB GLU 38 29.947 -12.264 -16.584 235 1HG GLU 38 2HG GLU 38 30.478 -12.474 -13.904 236 2HG GLU 38 3HG GLU 38 29.428 -13.862 -14.106 237 H VAL 39 HN VAL 39 26.302 -11.015 -14.488 238 HA VAL 39 HA VAL 39 25.461 -10.084 -17.139 239 HB VAL 39 HB VAL 39 23.877 -11.414 -14.931 240 1HG1 VAL 39 1HG1 VAL 39 23.046 -9.935 -17.227 241 2HG1 VAL 39 2HG1 VAL 39 22.668 -11.651 -17.511 242 3HG1 VAL 39 3HG1 VAL 39 22.046 -10.831 -16.059 243 1HG2 VAL 39 1HG2 VAL 39 25.753 -12.704 -16.307 244 2HG2 VAL 39 2HG2 VAL 39 24.188 -13.460 -15.921 245 3HG2 VAL 39 3HG2 VAL 39 24.467 -12.764 -17.536 246 H GLY 40 HN GLY 40 26.516 -8.735 -14.404 247 1HA GLY 40 1HA GLY 40 26.012 -6.286 -14.419 248 2HA GLY 40 2HA GLY 40 24.329 -6.748 -14.261 249 HA PRO 41 HA PRO 41 26.296 -6.479 -10.092 250 1HB PRO 41 2HB PRO 41 25.250 -4.117 -9.201 251 2HB PRO 41 3HB PRO 41 26.855 -4.255 -9.891 252 1HG PRO 41 2HG PRO 41 24.403 -3.139 -11.109 253 2HG PRO 41 3HG PRO 41 26.072 -2.907 -11.591 254 1HD PRO 41 2HD PRO 41 24.138 -4.606 -12.858 255 2HD PRO 41 3HD PRO 41 25.836 -4.462 -13.268 256 H VAL 42 HN VAL 42 25.398 -7.889 -8.742 257 HA VAL 42 HA VAL 42 22.511 -8.013 -8.795 258 HB VAL 42 HB VAL 42 22.748 -10.083 -7.746 259 1HG1 VAL 42 1HG1 VAL 42 24.738 -11.174 -8.975 260 2HG1 VAL 42 2HG1 VAL 42 23.485 -10.375 -9.955 261 3HG1 VAL 42 3HG1 VAL 42 25.034 -9.553 -9.648 262 1HG2 VAL 42 1HG2 VAL 42 25.563 -9.279 -6.937 263 2HG2 VAL 42 2HG2 VAL 42 24.148 -9.399 -5.864 264 3HG2 VAL 42 3HG2 VAL 42 24.809 -10.862 -6.633 265 H VAL 43 HN VAL 43 21.213 -6.963 -7.385 266 HA VAL 43 HA VAL 43 22.210 -5.225 -5.478 267 HB VAL 43 HB VAL 43 19.582 -6.388 -6.213 268 1HG1 VAL 43 1HG1 VAL 43 18.572 -5.005 -4.265 269 2HG1 VAL 43 2HG1 VAL 43 19.210 -6.630 -3.917 270 3HG1 VAL 43 3HG1 VAL 43 20.173 -5.189 -3.508 271 1HG2 VAL 43 1HG2 VAL 43 19.032 -4.206 -6.767 272 2HG2 VAL 43 2HG2 VAL 43 20.152 -3.505 -5.575 273 3HG2 VAL 43 3HG2 VAL 43 20.785 -4.225 -7.075 274 H SER 44 HN SER 44 20.673 -8.488 -5.011 275 HA SER 44 HA SER 44 22.509 -9.050 -2.937 276 1HB SER 44 2HB SER 44 19.830 -7.977 -2.262 277 2HB SER 44 3HB SER 44 20.195 -9.494 -1.464 278 HG SER 44 HG SER 44 22.340 -7.699 -1.416 279 H PHE 45 HN PHE 45 22.292 -11.327 -2.200 280 HA PHE 45 HA PHE 45 20.376 -12.876 -3.775 281 1HB PHE 45 2HB PHE 45 22.926 -12.625 -4.609 282 2HB PHE 45 3HB PHE 45 23.268 -13.740 -3.301 283 HD1 PHE 45 HD1 PHE 45 20.447 -15.157 -3.749 284 HD2 PHE 45 HD2 PHE 45 23.764 -14.248 -6.235 285 HE1 PHE 45 HE1 PHE 45 19.859 -17.088 -5.240 286 HE2 PHE 45 HE2 PHE 45 23.175 -16.179 -7.727 287 HZ PHE 45 HZ PHE 45 21.229 -17.576 -7.211 288 H ARG 46 HN ARG 46 19.186 -14.096 -2.396 289 HA ARG 46 HA ARG 46 20.572 -15.017 -0.006 290 1HB ARG 46 2HB ARG 46 17.728 -14.006 -0.391 291 2HB ARG 46 3HB ARG 46 18.110 -15.069 0.949 292 1HG ARG 46 2HG ARG 46 18.593 -13.099 2.030 293 2HG ARG 46 3HG ARG 46 20.144 -13.277 1.234 294 1HD ARG 46 2HD ARG 46 19.784 -11.457 -0.096 295 2HD ARG 46 3HD ARG 46 18.183 -12.007 -0.550 296 HE ARG 46 HE ARG 46 18.852 -10.192 1.674 297 1HH1 ARG 46 2HH2 ARG 46 16.406 -12.257 0.213 298 2HH1 ARG 46 1HH2 ARG 46 15.084 -11.475 1.013 299 1HH2 ARG 46 2HH1 ARG 46 17.109 -9.160 2.731 300 2HH2 ARG 46 1HH1 ARG 46 15.487 -9.701 2.455 301 H LEU 47 HN LEU 47 20.517 -17.243 0.362 302 HA LEU 47 HA LEU 47 18.746 -18.781 -1.409 303 1HB LEU 47 2HB LEU 47 21.002 -20.281 -0.436 304 2HB LEU 47 3HB LEU 47 20.451 -20.010 -2.078 305 HG LEU 47 HG LEU 47 22.695 -19.247 -1.949 306 1HD1 LEU 47 1HD1 LEU 47 20.650 -17.645 -2.815 307 2HD1 LEU 47 2HD1 LEU 47 21.552 -16.548 -1.741 308 3HD1 LEU 47 3HD1 LEU 47 22.383 -17.350 -3.095 309 1HD2 LEU 47 1HD2 LEU 47 22.424 -17.115 0.027 310 2HD2 LEU 47 2HD2 LEU 47 22.173 -18.736 0.719 311 3HD2 LEU 47 3HD2 LEU 47 23.679 -18.365 -0.155 312 H VAL 48 HN VAL 48 18.281 -21.055 -0.454 313 HA VAL 48 HA VAL 48 17.308 -20.590 2.229 314 HB VAL 48 HB VAL 48 16.297 -22.908 1.770 315 1HG1 VAL 48 1HG1 VAL 48 14.681 -21.750 0.004 316 2HG1 VAL 48 2HG1 VAL 48 14.728 -21.235 1.707 317 3HG1 VAL 48 3HG1 VAL 48 15.605 -20.302 0.470 318 1HG2 VAL 48 1HG2 VAL 48 18.016 -22.972 -0.337 319 2HG2 VAL 48 2HG2 VAL 48 16.514 -23.921 -0.240 320 3HG2 VAL 48 3HG2 VAL 48 16.538 -22.381 -1.134 321 H TYR 49 HN TYR 49 18.386 -21.203 4.028 322 HA TYR 49 HA TYR 49 20.360 -23.363 3.712 323 1HB TYR 49 2HB TYR 49 20.371 -20.578 4.863 324 2HB TYR 49 3HB TYR 49 21.125 -21.778 5.893 325 HD1 TYR 49 HD1 TYR 49 21.159 -20.720 2.287 326 HD2 TYR 49 HD2 TYR 49 23.404 -22.133 5.643 327 HE1 TYR 49 HE1 TYR 49 23.305 -20.540 0.936 328 HE2 TYR 49 HE2 TYR 49 25.543 -21.948 4.281 329 HH TYR 49 HH TYR 49 25.443 -20.796 0.917 330 H ASP 50 HN ASP 50 19.866 -25.138 4.891 331 HA ASP 50 HA ASP 50 17.755 -25.030 6.742 332 1HB ASP 50 2HB ASP 50 19.636 -27.078 5.647 333 2HB ASP 50 3HB ASP 50 19.000 -27.439 7.239 334 H ARG 51 HN ARG 51 18.086 -24.032 8.747 335 HA ARG 51 HA ARG 51 20.665 -23.856 9.849 336 1HB ARG 51 2HB ARG 51 17.875 -23.191 10.890 337 2HB ARG 51 3HB ARG 51 19.299 -22.957 11.884 338 1HG ARG 51 2HG ARG 51 20.285 -21.472 10.127 339 2HG ARG 51 3HG ARG 51 18.863 -21.708 9.129 340 1HD ARG 51 2HD ARG 51 17.936 -20.911 11.734 341 2HD ARG 51 3HD ARG 51 19.247 -19.830 11.305 342 HE ARG 51 HE ARG 51 16.631 -19.797 10.164 343 1HH1 ARG 51 2HH2 ARG 51 19.994 -19.588 9.148 344 2HH1 ARG 51 1HH2 ARG 51 19.644 -18.635 7.745 345 1HH2 ARG 51 2HH1 ARG 51 16.169 -18.540 8.312 346 2HH2 ARG 51 1HH1 ARG 51 17.454 -18.035 7.266 347 H GLU 52 HN GLU 52 17.973 -26.122 10.066 348 HA GLU 52 HA GLU 52 18.590 -27.169 12.585 349 1HB GLU 52 2HB GLU 52 16.586 -27.518 10.647 350 2HB GLU 52 3HB GLU 52 17.368 -29.084 10.717 351 1HG GLU 52 2HG GLU 52 17.202 -28.667 13.369 352 2HG GLU 52 3HG GLU 52 15.900 -27.594 12.893 353 H THR 53 HN THR 53 19.826 -27.715 9.298 354 HA THR 53 HA THR 53 21.534 -29.868 10.361 355 HB THR 53 HB THR 53 19.755 -30.065 8.311 356 HG1 THR 53 HG1 THR 53 20.905 -31.949 8.433 357 1HG2 THR 53 1HG2 THR 53 21.152 -30.012 6.193 358 2HG2 THR 53 2HG2 THR 53 20.811 -28.389 6.841 359 3HG2 THR 53 3HG2 THR 53 22.408 -29.132 7.096 360 H GLY 54 HN GLY 54 21.453 -26.585 9.536 361 1HA GLY 54 1HA GLY 54 23.086 -25.059 9.300 362 2HA GLY 54 2HA GLY 54 24.221 -26.262 9.878 363 H LYS 55 HN LYS 55 22.314 -27.203 7.097 364 HA LYS 55 HA LYS 55 24.618 -26.599 5.376 365 1HB LYS 55 2HB LYS 55 22.791 -29.012 5.205 366 2HB LYS 55 3HB LYS 55 24.176 -28.675 4.186 367 1HG LYS 55 2HG LYS 55 24.503 -28.808 7.201 368 2HG LYS 55 3HG LYS 55 24.457 -30.284 6.258 369 1HD LYS 55 2HD LYS 55 26.239 -28.351 4.987 370 2HD LYS 55 3HD LYS 55 26.690 -28.560 6.668 371 1HE LYS 55 2HE LYS 55 26.055 -31.138 5.396 372 2HE LYS 55 3HE LYS 55 27.325 -30.293 4.533 373 1HZ LYS 55 1HZ LYS 55 27.320 -31.278 7.254 374 2HZ LYS 55 2HZ LYS 55 28.514 -31.307 6.141 375 3HZ LYS 55 3HZ LYS 55 28.185 -29.927 6.950 376 HA PRO 56 HA PRO 56 21.768 -24.483 2.916 377 1HB PRO 56 2HB PRO 56 23.141 -24.347 0.557 378 2HB PRO 56 3HB PRO 56 23.443 -23.268 1.905 379 1HG PRO 56 2HG PRO 56 25.058 -25.560 0.968 380 2HG PRO 56 3HG PRO 56 25.534 -24.236 2.012 381 1HD PRO 56 2HD PRO 56 24.911 -26.918 2.817 382 2HD PRO 56 3HD PRO 56 25.274 -25.565 3.870 383 H LYS 57 HN LYS 57 19.935 -24.804 1.757 384 HA LYS 57 HA LYS 57 19.231 -27.406 1.211 385 1HB LYS 57 2HB LYS 57 18.164 -24.711 0.616 386 2HB LYS 57 3HB LYS 57 17.612 -25.980 -0.458 387 1HG LYS 57 2HG LYS 57 17.620 -26.520 2.516 388 2HG LYS 57 3HG LYS 57 16.366 -25.485 1.862 389 1HD LYS 57 2HD LYS 57 15.796 -27.984 1.980 390 2HD LYS 57 3HD LYS 57 15.518 -27.213 0.431 391 1HE LYS 57 2HE LYS 57 17.824 -28.023 -0.305 392 2HE LYS 57 3HE LYS 57 17.934 -28.918 1.197 393 1HZ LYS 57 1HZ LYS 57 15.849 -30.023 0.548 394 2HZ LYS 57 2HZ LYS 57 15.914 -29.278 -0.903 395 3HZ LYS 57 3HZ LYS 57 17.085 -30.332 -0.473 396 H GLY 58 HN GLY 58 20.222 -24.846 -1.176 397 1HA GLY 58 1HA GLY 58 22.056 -25.884 -2.665 398 2HA GLY 58 2HA GLY 58 20.776 -26.995 -3.108 399 H TYR 59 HN TYR 59 18.830 -24.545 -2.544 400 HA TYR 59 HA TYR 59 19.361 -23.184 -5.098 401 1HB TYR 59 2HB TYR 59 16.788 -23.215 -5.244 402 2HB TYR 59 3HB TYR 59 17.512 -24.808 -5.340 403 HD1 TYR 59 HD1 TYR 59 15.487 -22.535 -3.291 404 HD2 TYR 59 HD2 TYR 59 17.303 -26.404 -3.483 405 HE1 TYR 59 HE1 TYR 59 14.056 -23.312 -1.338 406 HE2 TYR 59 HE2 TYR 59 15.867 -27.168 -1.529 407 HH TYR 59 HH TYR 59 13.288 -26.073 -0.656 408 H GLY 60 HN GLY 60 18.411 -21.002 -5.268 409 1HA GLY 60 1HA GLY 60 17.405 -19.757 -2.867 410 2HA GLY 60 2HA GLY 60 19.048 -19.294 -3.268 411 H PHE 61 HN PHE 61 17.696 -17.135 -3.399 412 HA PHE 61 HA PHE 61 16.972 -16.816 -6.220 413 1HB PHE 61 2HB PHE 61 15.640 -15.725 -3.671 414 2HB PHE 61 3HB PHE 61 15.233 -15.147 -5.274 415 HD1 PHE 61 HD1 PHE 61 15.118 -18.085 -3.045 416 HD2 PHE 61 HD2 PHE 61 13.774 -16.381 -6.691 417 HE1 PHE 61 HE1 PHE 61 13.415 -19.914 -3.271 418 HE2 PHE 61 HE2 PHE 61 12.070 -18.211 -6.918 419 HZ PHE 61 HZ PHE 61 11.911 -19.955 -5.205 420 H CYS 62 HN CYS 62 17.757 -14.953 -7.209 421 HA CYS 62 HA CYS 62 19.381 -13.256 -5.460 422 1HB CYS 62 2HB CYS 62 20.817 -14.403 -6.990 423 2HB CYS 62 3HB CYS 62 19.771 -14.061 -8.353 424 HG CYS 62 HG CYS 62 20.712 -11.538 -6.523 425 H GLU 63 HN GLU 63 18.663 -11.159 -5.246 426 HA GLU 63 HA GLU 63 16.574 -10.339 -7.086 427 1HB GLU 63 2HB GLU 63 15.770 -10.083 -4.895 428 2HB GLU 63 3HB GLU 63 17.328 -9.586 -4.263 429 1HG GLU 63 2HG GLU 63 17.150 -7.398 -5.345 430 2HG GLU 63 3HG GLU 63 15.715 -7.890 -6.222 431 H TYR 64 HN TYR 64 16.990 -8.847 -8.662 432 HA TYR 64 HA TYR 64 19.559 -7.450 -8.503 433 1HB TYR 64 2HB TYR 64 17.553 -8.373 -10.608 434 2HB TYR 64 3HB TYR 64 18.591 -7.022 -11.017 435 HD1 TYR 64 HD1 TYR 64 21.100 -7.344 -11.020 436 HD2 TYR 64 HD2 TYR 64 18.370 -10.616 -10.638 437 HE1 TYR 64 HE1 TYR 64 22.942 -8.969 -11.679 438 HE2 TYR 64 HE2 TYR 64 20.221 -12.229 -11.298 439 HH TYR 64 HH TYR 64 23.517 -11.051 -11.873 440 H GLN 65 HN GLN 65 19.206 -5.294 -10.125 441 HA GLN 65 HA GLN 65 17.160 -3.808 -8.674 442 1HB GLN 65 2HB GLN 65 19.669 -3.217 -8.401 443 2HB GLN 65 3HB GLN 65 19.594 -2.605 -10.041 444 1HG GLN 65 2HG GLN 65 19.093 -0.668 -8.828 445 2HG GLN 65 3HG GLN 65 17.482 -1.264 -9.174 446 1HE2 GLN 65 1HE2 GLN 65 19.172 0.134 -6.881 447 2HE2 GLN 65 2HE2 GLN 65 18.505 -0.545 -5.433 448 H ASP 66 HN ASP 66 18.485 -4.727 -11.828 449 HA ASP 66 HA ASP 66 16.431 -3.068 -13.065 450 1HB ASP 66 2HB ASP 66 18.287 -4.124 -15.003 451 2HB ASP 66 3HB ASP 66 17.995 -2.448 -14.583 452 H GLN 67 HN GLN 67 14.832 -4.177 -14.259 453 HA GLN 67 HA GLN 67 14.576 -6.904 -13.926 454 1HB GLN 67 2HB GLN 67 12.920 -4.881 -14.705 455 2HB GLN 67 3HB GLN 67 13.195 -5.639 -16.260 456 1HG GLN 67 2HG GLN 67 12.696 -7.892 -14.928 457 2HG GLN 67 3HG GLN 67 11.924 -6.818 -13.778 458 1HE2 GLN 67 1HE2 GLN 67 10.488 -8.714 -15.094 459 2HE2 GLN 67 2HE2 GLN 67 9.390 -7.998 -16.226 460 H GLU 68 HN GLU 68 15.915 -4.934 -16.618 461 HA GLU 68 HA GLU 68 16.095 -7.013 -18.445 462 1HB GLU 68 2HB GLU 68 16.275 -4.706 -19.169 463 2HB GLU 68 3HB GLU 68 17.663 -4.422 -18.137 464 1HG GLU 68 2HG GLU 68 18.271 -6.691 -19.813 465 2HG GLU 68 3HG GLU 68 17.621 -5.431 -20.842 466 H THR 69 HN THR 69 18.242 -5.898 -15.803 467 HA THR 69 HA THR 69 20.478 -7.455 -16.557 468 HB THR 69 HB THR 69 19.573 -6.279 -13.875 469 HG1 THR 69 HG1 THR 69 21.254 -4.680 -14.760 470 1HG2 THR 69 1HG2 THR 69 22.400 -6.221 -14.198 471 2HG2 THR 69 2HG2 THR 69 21.486 -7.203 -13.029 472 3HG2 THR 69 3HG2 THR 69 21.911 -7.879 -14.620 473 H ALA 70 HN ALA 70 17.680 -8.059 -14.363 474 HA ALA 70 HA ALA 70 18.653 -10.568 -13.510 475 1HB ALA 70 1HB ALA 70 16.789 -8.898 -12.591 476 2HB ALA 70 2HB ALA 70 15.722 -9.918 -13.585 477 3HB ALA 70 3HB ALA 70 16.693 -10.649 -12.285 478 H LEU 71 HN LEU 71 16.556 -9.442 -16.204 479 HA LEU 71 HA LEU 71 15.784 -12.039 -16.999 480 1HB LEU 71 2HB LEU 71 15.487 -9.276 -17.933 481 2HB LEU 71 3HB LEU 71 15.574 -10.449 -19.232 482 HG LEU 71 HG LEU 71 13.632 -10.610 -16.911 483 1HD1 LEU 71 1HD1 LEU 71 12.182 -10.132 -19.232 484 2HD1 LEU 71 2HD1 LEU 71 12.507 -8.976 -17.918 485 3HD1 LEU 71 3HD1 LEU 71 13.567 -9.019 -19.347 486 1HD2 LEU 71 1HD2 LEU 71 12.791 -12.522 -17.783 487 2HD2 LEU 71 2HD2 LEU 71 13.159 -12.056 -19.461 488 3HD2 LEU 71 3HD2 LEU 71 14.450 -12.681 -18.408 489 H SER 72 HN SER 72 18.492 -9.832 -17.847 490 HA SER 72 HA SER 72 19.410 -11.344 -19.982 491 1HB SER 72 2HB SER 72 20.042 -8.941 -19.264 492 2HB SER 72 3HB SER 72 21.156 -9.677 -18.130 493 HG SER 72 HG SER 72 21.647 -10.912 -20.437 494 H ALA 73 HN ALA 73 19.993 -11.482 -16.441 495 HA ALA 73 HA ALA 73 22.134 -13.311 -16.566 496 1HB ALA 73 1HB ALA 73 22.174 -12.617 -14.430 497 2HB ALA 73 2HB ALA 73 20.548 -11.911 -14.590 498 3HB ALA 73 3HB ALA 73 20.735 -13.616 -14.118 499 H MET 74 HN MET 74 18.560 -13.613 -16.438 500 HA MET 74 HA MET 74 18.531 -16.343 -15.911 501 1HB MET 74 2HB MET 74 16.678 -14.200 -16.505 502 2HB MET 74 3HB MET 74 16.283 -15.531 -17.575 503 1HG MET 74 2HG MET 74 16.616 -16.923 -15.245 504 2HG MET 74 3HG MET 74 16.107 -15.382 -14.584 505 1HE MET 74 1HE MET 74 12.835 -14.827 -16.842 506 2HE MET 74 2HE MET 74 14.109 -14.010 -15.905 507 3HE MET 74 3HE MET 74 14.462 -14.628 -17.536 508 H ARG 75 HN ARG 75 18.465 -14.462 -19.002 509 HA ARG 75 HA ARG 75 18.285 -16.826 -20.540 510 1HB ARG 75 2HB ARG 75 17.967 -14.036 -20.977 511 2HB ARG 75 3HB ARG 75 19.319 -14.491 -21.993 512 1HG ARG 75 2HG ARG 75 18.037 -16.000 -23.274 513 2HG ARG 75 3HG ARG 75 16.858 -16.246 -22.000 514 1HD ARG 75 2HD ARG 75 15.593 -14.832 -23.320 515 2HD ARG 75 3HD ARG 75 16.438 -13.599 -22.406 516 HE ARG 75 HE ARG 75 16.900 -14.324 -25.224 517 1HH1 ARG 75 2HH2 ARG 75 18.147 -12.646 -22.393 518 2HH1 ARG 75 1HH2 ARG 75 19.201 -11.620 -23.307 519 1HH2 ARG 75 2HH1 ARG 75 18.292 -12.971 -26.430 520 2HH2 ARG 75 1HH1 ARG 75 19.284 -11.806 -25.619 521 H ASN 76 HN ASN 76 20.846 -14.854 -19.130 522 HA ASN 76 HA ASN 76 22.861 -15.685 -20.916 523 1HB ASN 76 2HB ASN 76 22.738 -14.249 -18.258 524 2HB ASN 76 3HB ASN 76 24.285 -14.915 -18.742 525 1HD2 ASN 76 1HD2 ASN 76 21.793 -13.788 -20.951 526 2HD2 ASN 76 2HD2 ASN 76 22.637 -12.415 -21.584 527 H LEU 77 HN LEU 77 21.508 -16.752 -17.763 528 HA LEU 77 HA LEU 77 23.486 -18.905 -17.649 529 1HB LEU 77 2HB LEU 77 21.602 -17.765 -15.584 530 2HB LEU 77 3HB LEU 77 22.571 -19.204 -15.332 531 HG LEU 77 HG LEU 77 24.568 -18.026 -15.237 532 1HD1 LEU 77 1HD1 LEU 77 23.188 -15.763 -16.699 533 2HD1 LEU 77 2HD1 LEU 77 24.825 -15.662 -16.009 534 3HD1 LEU 77 3HD1 LEU 77 24.477 -16.829 -17.306 535 1HD2 LEU 77 1HD2 LEU 77 24.140 -16.012 -13.776 536 2HD2 LEU 77 2HD2 LEU 77 22.403 -16.272 -14.063 537 3HD2 LEU 77 3HD2 LEU 77 23.368 -17.528 -13.252 538 H ASN 78 HN ASN 78 20.199 -18.985 -16.257 539 HA ASN 78 HA ASN 78 18.728 -20.613 -16.357 540 1HB ASN 78 2HB ASN 78 17.650 -19.377 -18.046 541 2HB ASN 78 3HB ASN 78 18.998 -19.517 -19.157 542 1HD2 ASN 78 1HD2 ASN 78 17.925 -20.276 -20.887 543 2HD2 ASN 78 2HD2 ASN 78 17.142 -21.818 -20.980 544 H GLY 79 HN GLY 79 19.965 -22.513 -15.733 545 1HA GLY 79 1HA GLY 79 20.673 -24.633 -16.019 546 2HA GLY 79 2HA GLY 79 20.134 -24.564 -17.685 547 H ARG 80 HN ARG 80 22.503 -22.336 -16.131 548 HA ARG 80 HA ARG 80 24.320 -22.916 -18.239 549 1HB ARG 80 2HB ARG 80 23.805 -20.662 -16.787 550 2HB ARG 80 3HB ARG 80 25.174 -21.264 -15.875 551 1HG ARG 80 2HG ARG 80 25.537 -21.345 -18.832 552 2HG ARG 80 3HG ARG 80 25.367 -19.732 -18.168 553 1HD ARG 80 2HD ARG 80 27.232 -20.098 -16.618 554 2HD ARG 80 3HD ARG 80 27.321 -21.795 -17.047 555 HE ARG 80 HE ARG 80 28.569 -21.209 -18.928 556 1HH1 ARG 80 2HH2 ARG 80 26.749 -18.392 -17.865 557 2HH1 ARG 80 1HH2 ARG 80 27.478 -17.326 -19.020 558 1HH2 ARG 80 2HH1 ARG 80 29.531 -19.804 -20.452 559 2HH2 ARG 80 1HH1 ARG 80 29.070 -18.135 -20.502 560 H GLU 81 HN GLU 81 25.911 -24.477 -18.154 561 HA GLU 81 HA GLU 81 26.181 -26.138 -15.986 562 1HB GLU 81 2HB GLU 81 28.325 -25.643 -18.091 563 2HB GLU 81 3HB GLU 81 28.053 -27.117 -17.184 564 1HG GLU 81 2HG GLU 81 26.504 -27.834 -18.680 565 2HG GLU 81 3HG GLU 81 25.585 -26.351 -18.520 566 H PHE 82 HN PHE 82 27.595 -26.250 -14.215 567 HA PHE 82 HA PHE 82 29.920 -24.745 -13.974 568 1HB PHE 82 2HB PHE 82 28.039 -22.940 -13.917 569 2HB PHE 82 3HB PHE 82 27.481 -23.682 -12.431 570 HD1 PHE 82 HD1 PHE 82 30.085 -21.636 -13.967 571 HD2 PHE 82 HD2 PHE 82 28.778 -23.479 -10.374 572 HE1 PHE 82 HE1 PHE 82 31.691 -20.221 -12.656 573 HE2 PHE 82 HE2 PHE 82 30.384 -22.063 -9.064 574 HZ PHE 82 HZ PHE 82 31.821 -20.451 -10.221 575 H SER 83 HN SER 83 31.062 -26.090 -12.670 576 HA SER 83 HA SER 83 31.606 -27.102 -10.789 577 1HB SER 83 2HB SER 83 29.735 -25.641 -9.684 578 2HB SER 83 3HB SER 83 28.746 -27.085 -9.774 579 HG SER 83 HG SER 83 30.272 -28.211 -8.468 580 H GLY 84 HN GLY 84 30.003 -28.089 -13.336 581 1HA GLY 84 1HA GLY 84 29.950 -30.249 -14.147 582 2HA GLY 84 2HA GLY 84 29.995 -30.887 -12.516 583 H ARG 85 HN ARG 85 27.764 -28.243 -12.983 584 HA ARG 85 HA ARG 85 25.618 -30.008 -13.689 585 1HB ARG 85 2HB ARG 85 26.028 -28.880 -10.938 586 2HB ARG 85 3HB ARG 85 24.396 -28.765 -11.567 587 1HG ARG 85 2HG ARG 85 24.133 -30.909 -10.843 588 2HG ARG 85 3HG ARG 85 25.074 -31.372 -12.247 589 1HD ARG 85 2HD ARG 85 26.787 -32.083 -10.936 590 2HD ARG 85 3HD ARG 85 26.892 -30.522 -10.147 591 HE ARG 85 HE ARG 85 24.612 -31.938 -9.121 592 1HH1 ARG 85 2HH2 ARG 85 28.129 -31.982 -9.003 593 2HH1 ARG 85 1HH2 ARG 85 28.194 -32.718 -7.437 594 1HH2 ARG 85 2HH1 ARG 85 24.698 -32.910 -7.055 595 2HH2 ARG 85 1HH1 ARG 85 26.229 -33.250 -6.321 596 H ALA 86 HN ALA 86 23.613 -28.773 -14.248 597 HA ALA 86 HA ALA 86 24.308 -26.188 -15.312 598 1HB ALA 86 1HB ALA 86 21.700 -26.532 -15.947 599 2HB ALA 86 2HB ALA 86 23.028 -27.282 -16.864 600 3HB ALA 86 3HB ALA 86 22.151 -28.225 -15.635 601 H LEU 87 HN LEU 87 23.514 -24.191 -14.637 602 HA LEU 87 HA LEU 87 22.284 -24.237 -11.995 603 1HB LEU 87 2HB LEU 87 23.995 -22.352 -13.528 604 2HB LEU 87 3HB LEU 87 22.842 -21.654 -12.408 605 HG LEU 87 HG LEU 87 25.374 -22.432 -11.773 606 1HD1 LEU 87 1HD1 LEU 87 24.312 -22.527 -9.336 607 2HD1 LEU 87 2HD1 LEU 87 24.436 -21.012 -10.263 608 3HD1 LEU 87 3HD1 LEU 87 22.894 -21.899 -10.209 609 1HD2 LEU 87 1HD2 LEU 87 24.515 -24.848 -12.111 610 2HD2 LEU 87 2HD2 LEU 87 25.476 -24.470 -10.661 611 3HD2 LEU 87 3HD2 LEU 87 23.706 -24.614 -10.544 612 H ARG 88 HN ARG 88 20.112 -24.710 -12.408 613 HA ARG 88 HA ARG 88 18.711 -23.595 -14.512 614 1HB ARG 88 2HB ARG 88 17.945 -24.894 -11.881 615 2HB ARG 88 3HB ARG 88 16.688 -24.155 -12.853 616 1HG ARG 88 2HG ARG 88 18.072 -25.607 -14.768 617 2HG ARG 88 3HG ARG 88 18.261 -26.630 -13.358 618 1HD ARG 88 2HD ARG 88 15.524 -25.732 -13.395 619 2HD ARG 88 3HD ARG 88 15.915 -26.273 -15.016 620 HE ARG 88 HE ARG 88 15.481 -27.973 -12.779 621 1HH1 ARG 88 2HH2 ARG 88 17.799 -27.598 -15.400 622 2HH1 ARG 88 1HH2 ARG 88 18.214 -29.279 -15.445 623 1HH2 ARG 88 2HH1 ARG 88 16.028 -30.191 -12.838 624 2HH2 ARG 88 1HH1 ARG 88 17.200 -30.764 -13.978 625 H VAL 89 HN VAL 89 17.999 -21.506 -14.817 626 HA VAL 89 HA VAL 89 17.520 -19.904 -12.402 627 HB VAL 89 HB VAL 89 18.745 -18.941 -14.993 628 1HG1 VAL 89 1HG1 VAL 89 18.945 -16.835 -14.021 629 2HG1 VAL 89 2HG1 VAL 89 17.351 -17.376 -13.444 630 3HG1 VAL 89 3HG1 VAL 89 18.764 -17.466 -12.366 631 1HG2 VAL 89 1HG2 VAL 89 19.988 -20.438 -12.960 632 2HG2 VAL 89 2HG2 VAL 89 20.774 -19.516 -14.264 633 3HG2 VAL 89 3HG2 VAL 89 20.482 -18.751 -12.684 634 H ASP 90 HN ASP 90 15.494 -19.068 -12.290 635 HA ASP 90 HA ASP 90 14.102 -18.702 -14.808 636 1HB ASP 90 2HB ASP 90 12.068 -19.497 -13.098 637 2HB ASP 90 3HB ASP 90 12.802 -20.508 -14.327 638 H ASN 91 HN ASN 91 12.261 -17.115 -14.564 639 HA ASN 91 HA ASN 91 12.960 -14.968 -13.003 640 1HB ASN 91 2HB ASN 91 10.977 -15.603 -14.955 641 2HB ASN 91 3HB ASN 91 10.078 -15.025 -13.565 642 1HD2 ASN 91 1HD2 ASN 91 10.488 -12.955 -12.719 643 2HD2 ASN 91 2HD2 ASN 91 11.197 -11.694 -13.671 644 H ALA 92 HN ALA 92 12.353 -14.329 -10.886 645 HA ALA 92 HA ALA 92 11.298 -16.309 -9.171 646 1HB ALA 92 1HB ALA 92 12.959 -14.581 -8.513 647 2HB ALA 92 2HB ALA 92 11.718 -13.324 -8.734 648 3HB ALA 92 3HB ALA 92 11.519 -14.557 -7.467 649 H ALA 93 HN ALA 93 9.852 -14.089 -11.371 650 HA ALA 93 HA ALA 93 7.418 -13.814 -9.827 651 1HB ALA 93 1HB ALA 93 8.729 -12.481 -12.050 652 2HB ALA 93 2HB ALA 93 7.050 -12.894 -12.473 653 3HB ALA 93 3HB ALA 93 7.388 -11.914 -11.027 654 H SER 94 HN SER 94 8.701 -16.442 -11.054 655 HA SER 94 HA SER 94 6.713 -17.212 -12.930 656 1HB SER 94 2HB SER 94 9.127 -18.461 -11.660 657 2HB SER 94 3HB SER 94 7.908 -19.560 -12.275 658 HG SER 94 HG SER 94 8.824 -19.235 -14.179 659 H GLU 95 HN GLU 95 4.918 -18.595 -12.585 660 HA GLU 95 HA GLU 95 3.761 -18.481 -10.083 661 1HB GLU 95 2HB GLU 95 2.056 -19.998 -11.025 662 2HB GLU 95 3HB GLU 95 2.482 -18.748 -12.177 663 1HG GLU 95 2HG GLU 95 4.278 -20.567 -12.991 664 2HG GLU 95 3HG GLU 95 3.170 -21.688 -12.226 665 H LYS 96 HN LYS 96 5.810 -20.956 -11.660 666 HA LYS 96 HA LYS 96 5.328 -22.918 -9.646 667 1HB LYS 96 2HB LYS 96 6.859 -24.261 -10.845 668 2HB LYS 96 3HB LYS 96 5.954 -23.368 -12.050 669 1HG LYS 96 2HG LYS 96 7.772 -21.847 -12.455 670 2HG LYS 96 3HG LYS 96 8.607 -22.322 -10.989 671 1HD LYS 96 2HD LYS 96 9.454 -24.274 -11.925 672 2HD LYS 96 3HD LYS 96 8.066 -24.511 -12.967 673 1HE LYS 96 2HE LYS 96 9.045 -22.206 -14.059 674 2HE LYS 96 3HE LYS 96 10.538 -22.879 -13.436 675 1HZ LYS 96 1HZ LYS 96 10.295 -24.754 -14.738 676 2HZ LYS 96 2HZ LYS 96 8.700 -24.527 -15.001 677 3HZ LYS 96 3HZ LYS 96 9.793 -23.562 -15.736 678 H ASN 97 HN ASN 97 7.640 -20.263 -10.208 679 HA ASN 97 HA ASN 97 9.457 -21.133 -8.257 680 1HB ASN 97 2HB ASN 97 8.920 -18.441 -9.597 681 2HB ASN 97 3HB ASN 97 10.177 -18.620 -8.389 682 1HD2 ASN 97 1HD2 ASN 97 11.644 -18.011 -10.053 683 2HD2 ASN 97 2HD2 ASN 97 12.234 -19.165 -11.201 684 H LYS 98 HN LYS 98 6.328 -19.586 -8.223 685 HA LYS 98 HA LYS 98 6.582 -18.000 -5.928 686 1HB LYS 98 2HB LYS 98 4.559 -18.726 -7.806 687 2HB LYS 98 3HB LYS 98 3.916 -19.011 -6.201 688 1HG LYS 98 2HG LYS 98 4.322 -16.740 -5.513 689 2HG LYS 98 3HG LYS 98 5.379 -16.429 -6.876 690 1HD LYS 98 2HD LYS 98 2.682 -17.314 -7.709 691 2HD LYS 98 3HD LYS 98 2.642 -15.845 -6.754 692 1HE LYS 98 2HE LYS 98 4.831 -15.606 -8.616 693 2HE LYS 98 3HE LYS 98 3.435 -16.166 -9.515 694 1HZ LYS 98 1HZ LYS 98 3.739 -13.712 -7.982 695 2HZ LYS 98 2HZ LYS 98 3.149 -13.919 -9.491 696 3HZ LYS 98 3HZ LYS 98 2.243 -14.331 -8.196 697 H GLU 99 HN GLU 99 6.182 -21.479 -6.454 698 HA GLU 99 HA GLU 99 5.220 -22.054 -3.895 699 1HB GLU 99 2HB GLU 99 6.649 -23.714 -6.004 700 2HB GLU 99 3HB GLU 99 6.128 -24.407 -4.482 701 1HG GLU 99 2HG GLU 99 3.853 -23.018 -5.327 702 2HG GLU 99 3HG GLU 99 4.517 -23.614 -6.835 703 H GLU 100 HN GLU 100 8.523 -21.897 -5.340 704 HA GLU 100 HA GLU 100 9.774 -22.812 -2.990 705 1HB GLU 100 2HB GLU 100 10.706 -21.517 -5.560 706 2HB GLU 100 3HB GLU 100 11.833 -21.696 -4.229 707 1HG GLU 100 2HG GLU 100 10.174 -24.052 -5.205 708 2HG GLU 100 3HG GLU 100 11.682 -23.625 -5.988 709 H LEU 101 HN LEU 101 9.083 -19.577 -4.427 710 HA LEU 101 HA LEU 101 10.547 -18.098 -2.560 711 1HB LEU 101 2HB LEU 101 8.344 -17.537 -4.500 712 2HB LEU 101 3HB LEU 101 8.756 -16.318 -3.310 713 HG LEU 101 HG LEU 101 11.167 -17.288 -4.567 714 1HD1 LEU 101 1HD1 LEU 101 8.874 -16.636 -6.389 715 2HD1 LEU 101 2HD1 LEU 101 10.530 -16.166 -6.841 716 3HD1 LEU 101 3HD1 LEU 101 10.141 -17.878 -6.545 717 1HD2 LEU 101 1HD2 LEU 101 11.732 -15.092 -4.560 718 2HD2 LEU 101 2HD2 LEU 101 10.122 -14.554 -5.097 719 3HD2 LEU 101 3HD2 LEU 101 10.387 -15.013 -3.397 720 H LYS 102 HN LYS 102 7.321 -19.597 -2.494 721 HA LYS 102 HA LYS 102 6.127 -18.199 -0.480 722 1HB LYS 102 2HB LYS 102 5.266 -20.150 -1.917 723 2HB LYS 102 3HB LYS 102 5.972 -21.207 -0.711 724 1HG LYS 102 2HG LYS 102 3.884 -20.973 0.249 725 2HG LYS 102 3HG LYS 102 4.644 -19.571 0.974 726 1HD LYS 102 2HD LYS 102 3.545 -19.003 -1.712 727 2HD LYS 102 3HD LYS 102 2.319 -19.553 -0.587 728 1HE LYS 102 2HE LYS 102 4.305 -17.359 0.144 729 2HE LYS 102 3HE LYS 102 2.790 -17.004 -0.661 730 1HZ LYS 102 1HZ LYS 102 2.438 -16.837 1.638 731 2HZ LYS 102 2HZ LYS 102 1.698 -18.220 1.183 732 3HZ LYS 102 3HZ LYS 102 3.134 -18.280 1.958 733 H SER 103 HN SER 103 8.859 -20.465 -0.329 734 HA SER 103 HA SER 103 8.697 -20.582 2.528 735 1HB SER 103 2HB SER 103 9.500 -22.465 0.935 736 2HB SER 103 3HB SER 103 10.992 -21.557 0.786 737 HG SER 103 HG SER 103 11.132 -21.648 3.185 738 H LEU 104 HN LEU 104 10.508 -18.894 -0.050 739 HA LEU 104 HA LEU 104 12.420 -17.795 1.787 740 1HB LEU 104 2HB LEU 104 11.881 -17.683 -1.136 741 2HB LEU 104 3HB LEU 104 12.760 -16.342 -0.427 742 HG LEU 104 HG LEU 104 14.415 -17.802 -1.198 743 1HD1 LEU 104 1HD1 LEU 104 14.485 -18.926 1.534 744 2HD1 LEU 104 2HD1 LEU 104 15.694 -17.968 0.646 745 3HD1 LEU 104 3HD1 LEU 104 14.319 -17.157 1.433 746 1HD2 LEU 104 1HD2 LEU 104 14.420 -20.127 -1.139 747 2HD2 LEU 104 2HD2 LEU 104 13.253 -20.200 0.203 748 3HD2 LEU 104 3HD2 LEU 104 12.709 -19.729 -1.425 749 H GLY 105 HN GLY 105 9.150 -17.287 1.272 750 1HA GLY 105 1HA GLY 105 9.009 -14.454 1.211 751 2HA GLY 105 2HA GLY 105 7.734 -15.575 1.647 752 H THR 106 HN THR 106 7.965 -13.170 3.038 753 HA THR 106 HA THR 106 9.550 -12.920 5.191 754 HB THR 106 HB THR 106 7.788 -11.317 4.608 755 HG1 THR 106 HG1 THR 106 7.108 -12.684 7.110 756 1HG2 THR 106 1HG2 THR 106 6.107 -13.626 4.483 757 2HG2 THR 106 2HG2 THR 106 5.532 -12.672 5.871 758 3HG2 THR 106 3HG2 THR 106 5.615 -11.930 4.255 759 H GLY 107 HN GLY 107 10.318 -14.343 6.614 760 1HA GLY 107 1HA GLY 107 8.389 -16.288 7.736 761 2HA GLY 107 2HA GLY 107 10.050 -16.688 7.349 762 H ALA 108 HN ALA 108 11.544 -16.539 8.972 763 HA ALA 108 HA ALA 108 11.033 -14.595 11.097 764 1HB ALA 108 1HB ALA 108 11.552 -17.574 11.422 765 2HB ALA 108 2HB ALA 108 11.726 -16.393 12.743 766 3HB ALA 108 3HB ALA 108 10.138 -16.649 11.981 767 HA PRO 109 HA PRO 109 15.282 -13.918 10.663 768 1HB PRO 109 2HB PRO 109 15.970 -12.927 13.115 769 2HB PRO 109 3HB PRO 109 15.183 -11.966 11.879 770 1HG PRO 109 2HG PRO 109 14.031 -13.117 14.346 771 2HG PRO 109 3HG PRO 109 13.402 -11.829 13.338 772 1HD PRO 109 2HD PRO 109 12.487 -14.546 13.421 773 2HD PRO 109 3HD PRO 109 11.937 -13.288 12.332 774 H VAL 110 HN VAL 110 15.641 -14.633 14.042 775 HA VAL 110 HA VAL 110 17.049 -17.083 13.235 776 HB VAL 110 HB VAL 110 18.656 -15.370 13.766 777 1HG1 VAL 110 1HG1 VAL 110 17.700 -13.735 15.066 778 2HG1 VAL 110 2HG1 VAL 110 16.871 -14.901 16.125 779 3HG1 VAL 110 3HG1 VAL 110 18.619 -14.616 16.310 780 1HG2 VAL 110 1HG2 VAL 110 18.309 -17.527 15.859 781 2HG2 VAL 110 2HG2 VAL 110 19.385 -17.513 14.441 782 3HG2 VAL 110 3HG2 VAL 110 19.727 -16.450 15.827 783 H ILE 111 HN ILE 111 16.977 -18.838 14.789 784 HA ILE 111 HA ILE 111 15.126 -18.480 16.999 785 HB ILE 111 HB ILE 111 13.763 -19.088 15.022 786 1HG1 ILE 111 2HG1 ILE 111 13.383 -21.506 16.582 787 2HG1 ILE 111 3HG1 ILE 111 13.710 -20.139 17.628 788 1HG2 ILE 111 1HG2 ILE 111 15.013 -20.425 13.626 789 2HG2 ILE 111 2HG2 ILE 111 15.662 -21.408 14.961 790 3HG2 ILE 111 3HG2 ILE 111 13.978 -21.630 14.430 791 1HD1 ILE 111 1HD1 ILE 111 11.346 -20.110 17.308 792 2HD1 ILE 111 2HD1 ILE 111 11.961 -18.838 16.225 793 3HD1 ILE 111 3HD1 ILE 111 11.498 -20.424 15.562 Start of MODEL 10 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 2.788 0.817 -1.150 3 1HB ASP 8 2HB ASP 8 2.964 -1.793 -0.480 4 2HB ASP 8 3HB ASP 8 2.144 -2.000 -2.014 5 HA PRO 9 HA PRO 9 -0.598 -0.426 -4.303 6 1HB PRO 9 2HB PRO 9 -2.942 -1.480 -3.373 7 2HB PRO 9 3HB PRO 9 -1.621 -2.462 -3.976 8 1HG PRO 9 2HG PRO 9 -2.471 -2.012 -1.180 9 2HG PRO 9 3HG PRO 9 -1.458 -3.288 -1.828 10 1HD PRO 9 2HD PRO 9 -0.586 -0.980 -0.365 11 2HD PRO 9 3HD PRO 9 0.433 -2.194 -1.113 12 H ALA 10 HN ALA 10 -2.717 0.176 -1.539 13 HA ALA 10 HA ALA 10 -2.827 2.831 -1.510 14 1HB ALA 10 1HB ALA 10 -4.945 3.097 -3.150 15 2HB ALA 10 2HB ALA 10 -3.272 3.347 -3.704 16 3HB ALA 10 3HB ALA 10 -4.092 1.798 -4.016 17 H VAL 11 HN VAL 11 -4.519 -0.263 -1.616 18 HA VAL 11 HA VAL 11 -6.807 0.669 -0.182 19 HB VAL 11 HB VAL 11 -5.771 -2.136 -0.632 20 1HG1 VAL 11 1HG1 VAL 11 -7.820 -1.279 1.022 21 2HG1 VAL 11 2HG1 VAL 11 -8.668 -1.723 -0.479 22 3HG1 VAL 11 3HG1 VAL 11 -7.634 -2.915 0.345 23 1HG2 VAL 11 1HG2 VAL 11 -7.047 -2.241 -2.631 24 2HG2 VAL 11 2HG2 VAL 11 -7.846 -0.687 -2.294 25 3HG2 VAL 11 3HG2 VAL 11 -6.119 -0.725 -2.722 26 H ASP 12 HN ASP 12 -3.577 -0.595 0.575 27 HA ASP 12 HA ASP 12 -4.039 -1.469 3.125 28 1HB ASP 12 2HB ASP 12 -1.823 -1.039 1.453 29 2HB ASP 12 3HB ASP 12 -1.504 0.020 2.812 30 H ARG 13 HN ARG 13 -3.596 1.808 1.745 31 HA ARG 13 HA ARG 13 -3.010 3.184 4.028 32 1HB ARG 13 2HB ARG 13 -3.525 5.134 2.781 33 2HB ARG 13 3HB ARG 13 -3.162 3.965 1.528 34 1HG ARG 13 2HG ARG 13 -5.181 4.872 0.748 35 2HG ARG 13 3HG ARG 13 -5.745 3.441 1.588 36 1HD ARG 13 2HD ARG 13 -7.051 4.765 2.889 37 2HD ARG 13 3HD ARG 13 -5.603 5.467 3.583 38 HE ARG 13 HE ARG 13 -5.903 6.806 1.156 39 1HH1 ARG 13 2HH2 ARG 13 -7.933 6.304 3.987 40 2HH1 ARG 13 1HH2 ARG 13 -8.782 7.802 3.801 41 1HH2 ARG 13 2HH1 ARG 13 -7.023 8.782 0.911 42 2HH2 ARG 13 1HH1 ARG 13 -8.261 9.221 2.040 43 H SER 14 HN SER 14 -6.124 1.964 2.753 44 HA SER 14 HA SER 14 -7.798 3.475 4.346 45 1HB SER 14 2HB SER 14 -8.128 0.683 3.170 46 2HB SER 14 3HB SER 14 -9.434 1.553 3.948 47 HG SER 14 HG SER 14 -9.743 2.630 2.134 48 H LEU 15 HN LEU 15 -6.071 0.367 4.904 49 HA LEU 15 HA LEU 15 -7.357 -0.181 7.366 50 1HB LEU 15 2HB LEU 15 -4.788 -1.191 6.140 51 2HB LEU 15 3HB LEU 15 -5.481 -1.810 7.625 52 HG LEU 15 HG LEU 15 -5.967 -3.241 5.690 53 1HD1 LEU 15 1HD1 LEU 15 -8.410 -3.451 6.032 54 2HD1 LEU 15 2HD1 LEU 15 -7.501 -3.297 7.555 55 3HD1 LEU 15 3HD1 LEU 15 -8.396 -1.901 6.908 56 1HD2 LEU 15 1HD2 LEU 15 -6.032 -1.369 4.018 57 2HD2 LEU 15 2HD2 LEU 15 -7.340 -2.566 3.862 58 3HD2 LEU 15 3HD2 LEU 15 -7.666 -0.983 4.608 59 H ARG 16 HN ARG 16 -5.046 2.162 6.377 60 HA ARG 16 HA ARG 16 -4.066 2.352 9.105 61 1HB ARG 16 2HB ARG 16 -2.986 3.341 6.435 62 2HB ARG 16 3HB ARG 16 -2.401 4.027 7.938 63 1HG ARG 16 2HG ARG 16 -1.738 1.759 8.732 64 2HG ARG 16 3HG ARG 16 -2.361 1.048 7.256 65 1HD ARG 16 2HD ARG 16 0.184 1.492 7.335 66 2HD ARG 16 3HD ARG 16 -0.661 2.052 5.906 67 HE ARG 16 HE ARG 16 -0.462 4.041 8.073 68 1HH1 ARG 16 2HH2 ARG 16 0.976 2.765 5.126 69 2HH1 ARG 16 1HH2 ARG 16 1.876 4.206 4.788 70 1HH2 ARG 16 2HH1 ARG 16 0.726 5.943 7.628 71 2HH2 ARG 16 1HH1 ARG 16 1.733 6.025 6.222 72 H SER 17 HN SER 17 -6.356 3.272 9.532 73 HA SER 17 HA SER 17 -6.166 6.011 9.808 74 1HB SER 17 2HB SER 17 -7.768 5.055 7.422 75 2HB SER 17 3HB SER 17 -8.263 6.502 8.279 76 HG SER 17 HG SER 17 -6.634 7.600 7.414 77 H VAL 18 HN VAL 18 -7.622 6.635 11.426 78 HA VAL 18 HA VAL 18 -9.788 4.729 11.983 79 HB VAL 18 HB VAL 18 -9.228 5.765 14.415 80 1HG1 VAL 18 1HG1 VAL 18 -9.437 3.334 13.521 81 2HG1 VAL 18 2HG1 VAL 18 -7.660 3.382 13.438 82 3HG1 VAL 18 3HG1 VAL 18 -8.485 3.630 14.996 83 1HG2 VAL 18 1HG2 VAL 18 -6.904 5.971 14.817 84 2HG2 VAL 18 2HG2 VAL 18 -6.486 5.340 13.206 85 3HG2 VAL 18 3HG2 VAL 18 -7.225 6.951 13.366 86 H PHE 19 HN PHE 19 -11.789 5.626 11.988 87 HA PHE 19 HA PHE 19 -11.987 8.454 11.580 88 1HB PHE 19 2HB PHE 19 -13.380 6.608 10.469 89 2HB PHE 19 3HB PHE 19 -14.068 6.231 12.036 90 HD1 PHE 19 HD1 PHE 19 -16.318 6.774 11.853 91 HD2 PHE 19 HD2 PHE 19 -13.420 9.558 10.489 92 HE1 PHE 19 HE1 PHE 19 -18.128 8.470 11.467 93 HE2 PHE 19 HE2 PHE 19 -15.230 11.253 10.103 94 HZ PHE 19 HZ PHE 19 -17.562 10.689 10.596 95 H VAL 20 HN VAL 20 -12.465 10.013 13.072 96 HA VAL 20 HA VAL 20 -13.274 9.048 15.729 97 HB VAL 20 HB VAL 20 -10.938 10.225 15.146 98 1HG1 VAL 20 1HG1 VAL 20 -11.097 12.631 15.869 99 2HG1 VAL 20 2HG1 VAL 20 -11.808 12.284 14.275 100 3HG1 VAL 20 3HG1 VAL 20 -12.863 12.506 15.691 101 1HG2 VAL 20 1HG2 VAL 20 -11.299 9.351 17.300 102 2HG2 VAL 20 2HG2 VAL 20 -10.996 11.083 17.571 103 3HG2 VAL 20 3HG2 VAL 20 -12.659 10.453 17.620 104 H GLY 21 HN GLY 21 -15.128 9.891 16.608 105 1HA GLY 21 1HA GLY 21 -16.228 12.369 15.573 106 2HA GLY 21 2HA GLY 21 -17.144 10.927 15.183 107 H ASN 22 HN ASN 22 -18.156 13.043 16.834 108 HA ASN 22 HA ASN 22 -19.481 13.068 18.591 109 1HB ASN 22 2HB ASN 22 -19.096 10.406 18.575 110 2HB ASN 22 3HB ASN 22 -18.109 10.750 19.982 111 1HD2 ASN 22 1HD2 ASN 22 -19.374 9.856 21.505 112 2HD2 ASN 22 2HD2 ASN 22 -20.952 10.415 21.950 113 H ILE 23 HN ILE 23 -16.902 14.394 18.281 114 HA ILE 23 HA ILE 23 -15.969 14.464 21.066 115 HB ILE 23 HB ILE 23 -14.248 15.633 18.996 116 1HG1 ILE 23 2HG1 ILE 23 -14.639 12.627 19.048 117 2HG1 ILE 23 3HG1 ILE 23 -15.209 13.685 17.773 118 1HG2 ILE 23 1HG2 ILE 23 -12.973 15.493 20.819 119 2HG2 ILE 23 2HG2 ILE 23 -14.061 14.320 21.598 120 3HG2 ILE 23 3HG2 ILE 23 -12.825 13.759 20.446 121 1HD1 ILE 23 1HD1 ILE 23 -12.789 12.472 17.688 122 2HD1 ILE 23 2HD1 ILE 23 -13.091 14.053 16.927 123 3HD1 ILE 23 3HD1 ILE 23 -12.323 13.970 18.530 124 HA PRO 24 HA PRO 24 -17.433 18.526 21.183 125 1HB PRO 24 2HB PRO 24 -16.039 19.501 23.322 126 2HB PRO 24 3HB PRO 24 -17.477 18.513 23.485 127 1HG PRO 24 2HG PRO 24 -14.652 17.758 23.913 128 2HG PRO 24 3HG PRO 24 -16.101 16.944 24.467 129 1HD PRO 24 2HD PRO 24 -14.426 16.163 22.273 130 2HD PRO 24 3HD PRO 24 -15.937 15.418 22.755 131 H TYR 25 HN TYR 25 -16.193 20.890 21.965 132 HA TYR 25 HA TYR 25 -14.486 21.217 19.614 133 1HB TYR 25 2HB TYR 25 -15.986 23.051 21.581 134 2HB TYR 25 3HB TYR 25 -14.964 23.693 20.311 135 HD1 TYR 25 HD1 TYR 25 -15.583 22.186 17.944 136 HD2 TYR 25 HD2 TYR 25 -18.217 23.424 21.080 137 HE1 TYR 25 HE1 TYR 25 -17.548 22.112 16.333 138 HE2 TYR 25 HE2 TYR 25 -20.173 23.345 19.458 139 HH TYR 25 HH TYR 25 -19.761 23.201 16.145 140 H GLU 26 HN GLU 26 -14.448 21.163 23.141 141 HA GLU 26 HA GLU 26 -12.144 22.722 23.448 142 1HB GLU 26 2HB GLU 26 -14.030 21.617 25.137 143 2HB GLU 26 3HB GLU 26 -12.639 20.604 25.473 144 1HG GLU 26 2HG GLU 26 -11.949 23.478 25.299 145 2HG GLU 26 3HG GLU 26 -13.116 23.136 26.561 146 H ALA 27 HN ALA 27 -12.609 19.695 21.993 147 HA ALA 27 HA ALA 27 -9.893 18.824 22.690 148 1HB ALA 27 1HB ALA 27 -12.002 17.347 23.072 149 2HB ALA 27 2HB ALA 27 -11.996 17.149 21.303 150 3HB ALA 27 3HB ALA 27 -10.594 16.618 22.262 151 H THR 28 HN THR 28 -8.608 19.998 21.267 152 HA THR 28 HA THR 28 -9.412 20.100 18.470 153 HB THR 28 HB THR 28 -7.228 21.547 18.453 154 HG1 THR 28 HG1 THR 28 -6.227 21.295 20.414 155 1HG2 THR 28 1HG2 THR 28 -8.364 23.384 19.926 156 2HG2 THR 28 2HG2 THR 28 -9.262 22.827 18.493 157 3HG2 THR 28 3HG2 THR 28 -9.700 22.222 20.109 158 H GLU 29 HN GLU 29 -7.426 19.836 16.878 159 HA GLU 29 HA GLU 29 -6.897 17.142 16.849 160 1HB GLU 29 2HB GLU 29 -6.030 19.540 15.320 161 2HB GLU 29 3HB GLU 29 -4.909 18.195 15.247 162 1HG GLU 29 2HG GLU 29 -6.993 16.717 14.713 163 2HG GLU 29 3HG GLU 29 -7.840 18.225 14.429 164 H GLU 30 HN GLU 30 -5.165 19.845 18.358 165 HA GLU 30 HA GLU 30 -2.707 18.580 18.630 166 1HB GLU 30 2HB GLU 30 -3.753 21.082 19.210 167 2HB GLU 30 3HB GLU 30 -3.474 20.434 20.814 168 1HG GLU 30 2HG GLU 30 -1.313 21.102 20.533 169 2HG GLU 30 3HG GLU 30 -1.141 19.692 19.507 170 H GLN 31 HN GLN 31 -5.750 18.416 20.474 171 HA GLN 31 HA GLN 31 -4.464 16.981 22.601 172 1HB GLN 31 2HB GLN 31 -7.341 17.826 22.083 173 2HB GLN 31 3HB GLN 31 -6.892 16.831 23.454 174 1HG GLN 31 2HG GLN 31 -5.017 18.910 23.555 175 2HG GLN 31 3HG GLN 31 -6.472 19.725 23.017 176 1HE2 GLN 31 1HE2 GLN 31 -7.961 20.260 24.441 177 2HE2 GLN 31 2HE2 GLN 31 -8.063 19.724 26.085 178 H LEU 32 HN LEU 32 -6.807 16.390 19.915 179 HA LEU 32 HA LEU 32 -7.343 13.730 20.528 180 1HB LEU 32 2HB LEU 32 -7.502 15.424 18.066 181 2HB LEU 32 3HB LEU 32 -7.761 13.695 17.942 182 HG LEU 32 HG LEU 32 -9.587 13.865 19.618 183 1HD1 LEU 32 1HD1 LEU 32 -8.685 15.943 20.714 184 2HD1 LEU 32 2HD1 LEU 32 -9.326 16.866 19.334 185 3HD1 LEU 32 3HD1 LEU 32 -10.435 15.952 20.385 186 1HD2 LEU 32 1HD2 LEU 32 -11.051 15.429 18.023 187 2HD2 LEU 32 2HD2 LEU 32 -9.638 15.211 16.964 188 3HD2 LEU 32 3HD2 LEU 32 -10.534 13.791 17.556 189 H LYS 33 HN LYS 33 -4.822 15.220 18.396 190 HA LYS 33 HA LYS 33 -3.717 12.824 17.532 191 1HB LYS 33 2HB LYS 33 -3.364 15.250 16.713 192 2HB LYS 33 3HB LYS 33 -2.139 15.361 17.960 193 1HG LYS 33 2HG LYS 33 -0.669 14.055 16.799 194 2HG LYS 33 3HG LYS 33 -1.898 12.872 16.395 195 1HD LYS 33 2HD LYS 33 -2.108 13.720 14.302 196 2HD LYS 33 3HD LYS 33 -2.452 15.317 14.936 197 1HE LYS 33 2HE LYS 33 -0.099 15.892 15.038 198 2HE LYS 33 3HE LYS 33 0.392 14.231 14.773 199 1HZ LYS 33 1HZ LYS 33 0.499 15.639 12.788 200 2HZ LYS 33 2HZ LYS 33 -0.457 14.332 12.577 201 3HZ LYS 33 3HZ LYS 33 -1.125 15.804 12.811 202 H ASP 34 HN ASP 34 -3.250 14.732 20.527 203 HA ASP 34 HA ASP 34 -0.996 13.337 21.372 204 1HB ASP 34 2HB ASP 34 -2.486 15.506 22.262 205 2HB ASP 34 3HB ASP 34 -2.860 14.303 23.480 206 H ILE 35 HN ILE 35 -4.546 12.874 21.694 207 HA ILE 35 HA ILE 35 -4.404 10.843 23.653 208 HB ILE 35 HB ILE 35 -6.562 11.577 21.672 209 1HG1 ILE 35 2HG1 ILE 35 -6.732 12.248 24.570 210 2HG1 ILE 35 3HG1 ILE 35 -5.604 13.182 23.607 211 1HG2 ILE 35 1HG2 ILE 35 -7.380 10.277 24.162 212 2HG2 ILE 35 2HG2 ILE 35 -7.883 9.972 22.483 213 3HG2 ILE 35 3HG2 ILE 35 -6.392 9.232 23.114 214 1HD1 ILE 35 1HD1 ILE 35 -8.413 13.531 23.769 215 2HD1 ILE 35 2HD1 ILE 35 -7.292 14.358 22.661 216 3HD1 ILE 35 3HD1 ILE 35 -8.107 12.860 22.148 217 H PHE 36 HN PHE 36 -4.673 10.845 20.045 218 HA PHE 36 HA PHE 36 -4.736 8.034 19.861 219 1HB PHE 36 2HB PHE 36 -4.284 10.467 18.105 220 2HB PHE 36 3HB PHE 36 -3.798 8.921 17.437 221 HD1 PHE 36 HD1 PHE 36 -6.739 9.918 19.516 222 HD2 PHE 36 HD2 PHE 36 -5.348 8.285 15.855 223 HE1 PHE 36 HE1 PHE 36 -9.108 9.477 18.813 224 HE2 PHE 36 HE2 PHE 36 -7.717 7.843 15.152 225 HZ PHE 36 HZ PHE 36 -9.569 8.444 16.639 226 H SER 37 HN SER 37 -2.132 10.474 20.002 227 HA SER 37 HA SER 37 -0.121 8.837 19.005 228 1HB SER 37 2HB SER 37 -0.051 11.223 20.898 229 2HB SER 37 3HB SER 37 1.399 10.470 20.265 230 HG SER 37 HG SER 37 -0.689 11.348 18.487 231 H GLU 38 HN GLU 38 -1.640 9.196 22.210 232 HA GLU 38 HA GLU 38 0.367 7.948 23.675 233 1HB GLU 38 2HB GLU 38 -1.069 8.197 25.459 234 2HB GLU 38 3HB GLU 38 -1.866 9.289 24.343 235 1HG GLU 38 2HG GLU 38 -3.190 7.145 23.560 236 2HG GLU 38 3HG GLU 38 -2.638 6.444 25.068 237 H VAL 39 HN VAL 39 -1.738 6.729 21.265 238 HA VAL 39 HA VAL 39 -1.585 4.020 22.376 239 HB VAL 39 HB VAL 39 -3.244 4.984 20.047 240 1HG1 VAL 39 1HG1 VAL 39 -2.723 2.423 21.177 241 2HG1 VAL 39 2HG1 VAL 39 -4.409 2.846 21.561 242 3HG1 VAL 39 3HG1 VAL 39 -3.854 2.848 19.870 243 1HG2 VAL 39 1HG2 VAL 39 -4.269 6.286 21.608 244 2HG2 VAL 39 2HG2 VAL 39 -5.078 4.751 22.004 245 3HG2 VAL 39 3HG2 VAL 39 -3.691 5.302 22.974 246 H GLY 40 HN GLY 40 0.351 6.000 20.703 247 1HA GLY 40 1HA GLY 40 2.183 4.463 19.720 248 2HA GLY 40 2HA GLY 40 0.953 4.123 18.520 249 HA PRO 41 HA PRO 41 3.193 7.927 17.291 250 1HB PRO 41 2HB PRO 41 4.399 7.003 15.019 251 2HB PRO 41 3HB PRO 41 5.207 7.074 16.573 252 1HG PRO 41 2HG PRO 41 4.132 4.717 15.148 253 2HG PRO 41 3HG PRO 41 5.293 4.772 16.460 254 1HD PRO 41 2HD PRO 41 2.520 4.061 16.650 255 2HD PRO 41 3HD PRO 41 3.653 4.228 17.977 256 H VAL 42 HN VAL 42 1.767 9.380 16.598 257 HA VAL 42 HA VAL 42 -0.145 8.450 14.639 258 HB VAL 42 HB VAL 42 0.181 10.829 16.424 259 1HG1 VAL 42 1HG1 VAL 42 -1.075 10.852 13.763 260 2HG1 VAL 42 2HG1 VAL 42 -2.147 11.398 15.075 261 3HG1 VAL 42 3HG1 VAL 42 -0.581 12.202 14.813 262 1HG2 VAL 42 1HG2 VAL 42 -2.168 8.981 15.887 263 2HG2 VAL 42 2HG2 VAL 42 -0.986 8.781 17.203 264 3HG2 VAL 42 3HG2 VAL 42 -2.048 10.210 17.169 265 H VAL 43 HN VAL 43 0.108 8.685 12.480 266 HA VAL 43 HA VAL 43 2.390 10.118 11.514 267 HB VAL 43 HB VAL 43 0.146 8.820 9.964 268 1HG1 VAL 43 1HG1 VAL 43 1.299 9.512 8.185 269 2HG1 VAL 43 2HG1 VAL 43 2.583 10.179 9.222 270 3HG1 VAL 43 3HG1 VAL 43 2.650 8.477 8.705 271 1HG2 VAL 43 1HG2 VAL 43 0.945 7.163 11.514 272 2HG2 VAL 43 2HG2 VAL 43 1.632 6.799 9.913 273 3HG2 VAL 43 3HG2 VAL 43 2.640 7.572 11.160 274 H SER 44 HN SER 44 -1.060 10.278 10.401 275 HA SER 44 HA SER 44 -0.763 13.175 10.496 276 1HB SER 44 2HB SER 44 -1.211 11.467 8.178 277 2HB SER 44 3HB SER 44 -2.575 12.546 8.391 278 HG SER 44 HG SER 44 -0.036 13.112 7.488 279 H PHE 45 HN PHE 45 -3.020 14.291 10.404 280 HA PHE 45 HA PHE 45 -5.271 12.718 11.120 281 1HB PHE 45 2HB PHE 45 -3.615 12.994 13.208 282 2HB PHE 45 3HB PHE 45 -4.192 14.648 13.235 283 HD1 PHE 45 HD1 PHE 45 -4.503 12.592 15.441 284 HD2 PHE 45 HD2 PHE 45 -7.064 13.716 12.249 285 HE1 PHE 45 HE1 PHE 45 -6.497 11.875 16.787 286 HE2 PHE 45 HE2 PHE 45 -9.057 12.999 13.596 287 HZ PHE 45 HZ PHE 45 -8.750 12.087 15.849 288 H ARG 46 HN ARG 46 -6.825 13.789 9.998 289 HA ARG 46 HA ARG 46 -6.851 16.675 10.321 290 1HB ARG 46 2HB ARG 46 -6.500 15.150 7.844 291 2HB ARG 46 3HB ARG 46 -7.960 16.116 7.754 292 1HG ARG 46 2HG ARG 46 -6.776 18.045 7.542 293 2HG ARG 46 3HG ARG 46 -5.796 17.677 8.947 294 1HD ARG 46 2HD ARG 46 -4.097 17.525 7.403 295 2HD ARG 46 3HD ARG 46 -4.710 15.900 7.174 296 HE ARG 46 HE ARG 46 -5.566 16.529 5.079 297 1HH1 ARG 46 2HH2 ARG 46 -4.715 19.409 6.913 298 2HH1 ARG 46 1HH2 ARG 46 -4.943 20.484 5.575 299 1HH2 ARG 46 2HH1 ARG 46 -5.866 17.947 3.312 300 2HH2 ARG 46 1HH1 ARG 46 -5.602 19.647 3.513 301 H LEU 47 HN LEU 47 -8.927 17.544 10.685 302 HA LEU 47 HA LEU 47 -11.109 15.578 10.635 303 1HB LEU 47 2HB LEU 47 -11.397 17.976 12.316 304 2HB LEU 47 3HB LEU 47 -11.852 16.311 12.621 305 HG LEU 47 HG LEU 47 -9.036 17.415 12.830 306 1HD1 LEU 47 1HD1 LEU 47 -9.914 18.343 14.697 307 2HD1 LEU 47 2HD1 LEU 47 -11.265 17.187 14.779 308 3HD1 LEU 47 3HD1 LEU 47 -9.647 16.707 15.346 309 1HD2 LEU 47 1HD2 LEU 47 -9.915 14.771 13.944 310 2HD2 LEU 47 2HD2 LEU 47 -9.467 14.911 12.227 311 3HD2 LEU 47 3HD2 LEU 47 -8.289 15.336 13.491 312 H VAL 48 HN VAL 48 -13.350 16.787 10.472 313 HA VAL 48 HA VAL 48 -13.155 18.356 8.049 314 HB VAL 48 HB VAL 48 -15.699 18.132 8.224 315 1HG1 VAL 48 1HG1 VAL 48 -15.029 16.705 6.615 316 2HG1 VAL 48 2HG1 VAL 48 -13.651 16.114 7.574 317 3HG1 VAL 48 3HG1 VAL 48 -15.278 15.446 7.848 318 1HG2 VAL 48 1HG2 VAL 48 -15.313 17.416 10.774 319 2HG2 VAL 48 2HG2 VAL 48 -16.689 16.823 9.814 320 3HG2 VAL 48 3HG2 VAL 48 -15.250 15.799 10.032 321 H TYR 49 HN TYR 49 -13.415 20.540 7.913 322 HA TYR 49 HA TYR 49 -14.476 21.887 10.301 323 1HB TYR 49 2HB TYR 49 -11.867 22.001 8.852 324 2HB TYR 49 3HB TYR 49 -12.605 23.585 8.992 325 HD1 TYR 49 HD1 TYR 49 -12.776 24.709 11.130 326 HD2 TYR 49 HD2 TYR 49 -11.196 20.741 10.880 327 HE1 TYR 49 HE1 TYR 49 -11.890 24.905 13.505 328 HE2 TYR 49 HE2 TYR 49 -10.315 20.950 13.256 329 HH TYR 49 HH TYR 49 -10.248 22.159 15.048 330 H ASP 50 HN ASP 50 -16.257 23.055 9.801 331 HA ASP 50 HA ASP 50 -16.989 23.426 7.126 332 1HB ASP 50 2HB ASP 50 -18.120 25.026 9.446 333 2HB ASP 50 3HB ASP 50 -18.954 24.473 8.007 334 H ARG 51 HN ARG 51 -15.894 24.915 5.824 335 HA ARG 51 HA ARG 51 -14.531 27.087 6.977 336 1HB ARG 51 2HB ARG 51 -15.146 26.252 4.110 337 2HB ARG 51 3HB ARG 51 -14.285 27.739 4.453 338 1HG ARG 51 2HG ARG 51 -12.527 26.486 5.665 339 2HG ARG 51 3HG ARG 51 -13.411 24.988 5.453 340 1HD ARG 51 2HD ARG 51 -11.756 24.976 3.722 341 2HD ARG 51 3HD ARG 51 -13.251 25.393 2.909 342 HE ARG 51 HE ARG 51 -10.953 27.177 3.385 343 1HH1 ARG 51 2HH2 ARG 51 -14.344 26.947 2.474 344 2HH1 ARG 51 1HH2 ARG 51 -14.367 28.487 1.681 345 1HH2 ARG 51 2HH1 ARG 51 -10.983 29.208 2.340 346 2HH2 ARG 51 1HH1 ARG 51 -12.443 29.782 1.604 347 H GLU 52 HN GLU 52 -17.721 26.550 5.508 348 HA GLU 52 HA GLU 52 -18.242 29.263 4.980 349 1HB GLU 52 2HB GLU 52 -19.609 26.696 4.723 350 2HB GLU 52 3HB GLU 52 -20.711 27.912 5.339 351 1HG GLU 52 2HG GLU 52 -20.228 29.404 3.458 352 2HG GLU 52 3HG GLU 52 -18.935 28.362 2.898 353 H THR 53 HN THR 53 -18.581 27.117 7.797 354 HA THR 53 HA THR 53 -19.923 29.295 9.249 355 HB THR 53 HB THR 53 -19.774 26.265 9.643 356 HG1 THR 53 HG1 THR 53 -21.903 28.261 9.325 357 1HG2 THR 53 1HG2 THR 53 -21.245 28.339 11.349 358 2HG2 THR 53 2HG2 THR 53 -21.244 26.575 11.583 359 3HG2 THR 53 3HG2 THR 53 -19.758 27.512 11.869 360 H GLY 54 HN GLY 54 -16.868 28.101 8.600 361 1HA GLY 54 1HA GLY 54 -14.876 28.298 9.622 362 2HA GLY 54 2HA GLY 54 -15.575 29.656 10.482 363 H LYS 55 HN LYS 55 -17.235 26.606 10.906 364 HA LYS 55 HA LYS 55 -15.901 26.299 13.507 365 1HB LYS 55 2HB LYS 55 -18.823 26.017 12.770 366 2HB LYS 55 3HB LYS 55 -18.150 25.376 14.255 367 1HG LYS 55 2HG LYS 55 -18.003 28.300 13.381 368 2HG LYS 55 3HG LYS 55 -19.123 27.660 14.567 369 1HD LYS 55 2HD LYS 55 -16.584 26.754 15.433 370 2HD LYS 55 3HD LYS 55 -16.299 28.396 14.890 371 1HE LYS 55 2HE LYS 55 -18.748 28.491 16.346 372 2HE LYS 55 3HE LYS 55 -17.681 27.472 17.292 373 1HZ LYS 55 1HZ LYS 55 -17.293 29.686 17.911 374 2HZ LYS 55 2HZ LYS 55 -15.994 29.248 17.023 375 3HZ LYS 55 3HZ LYS 55 -17.145 30.204 16.369 376 HA PRO 56 HA PRO 56 -15.016 22.287 12.176 377 1HB PRO 56 2HB PRO 56 -14.441 21.085 14.562 378 2HB PRO 56 3HB PRO 56 -13.297 22.091 13.695 379 1HG PRO 56 2HG PRO 56 -14.863 22.731 16.120 380 2HG PRO 56 3HG PRO 56 -13.433 23.529 15.494 381 1HD PRO 56 2HD PRO 56 -16.139 24.462 15.309 382 2HD PRO 56 3HD PRO 56 -14.724 25.199 14.583 383 H LYS 57 HN LYS 57 -16.006 20.430 11.557 384 HA LYS 57 HA LYS 57 -18.699 20.210 12.089 385 1HB LYS 57 2HB LYS 57 -16.711 18.827 10.582 386 2HB LYS 57 3HB LYS 57 -17.610 17.627 11.488 387 1HG LYS 57 2HG LYS 57 -19.267 19.771 10.222 388 2HG LYS 57 3HG LYS 57 -18.451 18.698 9.101 389 1HD LYS 57 2HD LYS 57 -20.201 17.277 9.434 390 2HD LYS 57 3HD LYS 57 -19.444 16.898 10.969 391 1HE LYS 57 2HE LYS 57 -20.746 19.006 11.872 392 2HE LYS 57 3HE LYS 57 -21.714 18.841 10.420 393 1HZ LYS 57 1HZ LYS 57 -22.410 17.601 12.512 394 2HZ LYS 57 2HZ LYS 57 -22.477 16.798 11.091 395 3HZ LYS 57 3HZ LYS 57 -21.246 16.522 12.127 396 H GLY 58 HN GLY 58 -15.980 18.255 13.506 397 1HA GLY 58 1HA GLY 58 -16.284 18.238 16.053 398 2HA GLY 58 2HA GLY 58 -17.813 17.470 15.676 399 H TYR 59 HN TYR 59 -16.364 16.258 13.153 400 HA TYR 59 HA TYR 59 -14.950 14.144 14.635 401 1HB TYR 59 2HB TYR 59 -16.143 12.576 13.230 402 2HB TYR 59 3HB TYR 59 -17.365 13.770 13.622 403 HD1 TYR 59 HD1 TYR 59 -18.587 14.771 11.902 404 HD2 TYR 59 HD2 TYR 59 -14.800 12.996 11.000 405 HE1 TYR 59 HE1 TYR 59 -18.982 15.171 9.422 406 HE2 TYR 59 HE2 TYR 59 -15.208 13.402 8.524 407 HH TYR 59 HH TYR 59 -18.303 14.609 7.381 408 H GLY 60 HN GLY 60 -13.345 12.925 13.319 409 1HA GLY 60 1HA GLY 60 -12.474 14.135 10.837 410 2HA GLY 60 2HA GLY 60 -11.405 14.412 12.198 411 H PHE 61 HN PHE 61 -9.967 13.099 10.597 412 HA PHE 61 HA PHE 61 -10.233 10.282 11.357 413 1HB PHE 61 2HB PHE 61 -9.567 11.597 8.659 414 2HB PHE 61 3HB PHE 61 -9.233 9.905 8.970 415 HD1 PHE 61 HD1 PHE 61 -11.900 12.397 8.532 416 HD2 PHE 61 HD2 PHE 61 -10.995 8.276 8.986 417 HE1 PHE 61 HE1 PHE 61 -14.235 11.806 7.825 418 HE2 PHE 61 HE2 PHE 61 -13.330 7.685 8.279 419 HZ PHE 61 HZ PHE 61 -14.922 9.458 7.707 420 H CYS 62 HN CYS 62 -8.285 9.214 11.839 421 HA CYS 62 HA CYS 62 -5.905 10.916 11.677 422 1HB CYS 62 2HB CYS 62 -6.782 10.752 14.008 423 2HB CYS 62 3HB CYS 62 -6.582 9.012 13.943 424 HG CYS 62 HG CYS 62 -4.630 10.276 15.302 425 H GLU 63 HN GLU 63 -4.343 9.975 10.405 426 HA GLU 63 HA GLU 63 -4.665 7.142 9.866 427 1HB GLU 63 2HB GLU 63 -4.602 8.271 7.811 428 2HB GLU 63 3HB GLU 63 -3.441 9.457 8.371 429 1HG GLU 63 2HG GLU 63 -1.606 7.999 8.104 430 2HG GLU 63 3HG GLU 63 -2.593 6.558 8.244 431 H TYR 64 HN TYR 64 -3.273 5.670 10.751 432 HA TYR 64 HA TYR 64 -0.974 6.722 12.195 433 1HB TYR 64 2HB TYR 64 -2.639 4.165 12.005 434 2HB TYR 64 3HB TYR 64 -1.051 4.071 12.740 435 HD1 TYR 64 HD1 TYR 64 -4.388 4.304 13.509 436 HD2 TYR 64 HD2 TYR 64 -0.679 6.194 14.496 437 HE1 TYR 64 HE1 TYR 64 -5.363 5.075 15.727 438 HE2 TYR 64 HE2 TYR 64 -1.666 6.959 16.710 439 HH TYR 64 HH TYR 64 -3.340 6.717 18.111 440 H GLN 65 HN GLN 65 0.757 4.571 12.212 441 HA GLN 65 HA GLN 65 1.504 4.448 9.395 442 1HB GLN 65 2HB GLN 65 2.946 5.614 11.396 443 2HB GLN 65 3HB GLN 65 3.577 3.982 11.502 444 1HG GLN 65 2HG GLN 65 4.271 4.004 9.171 445 2HG GLN 65 3HG GLN 65 3.395 5.489 8.857 446 1HE2 GLN 65 1HE2 GLN 65 6.320 4.506 8.872 447 2HE2 GLN 65 2HE2 GLN 65 7.199 5.775 9.657 448 H ASP 66 HN ASP 66 0.476 2.678 12.163 449 HA ASP 66 HA ASP 66 1.340 0.229 10.841 450 1HB ASP 66 2HB ASP 66 0.823 0.002 13.744 451 2HB ASP 66 3HB ASP 66 2.143 -0.655 12.797 452 H GLN 67 HN GLN 67 -0.378 -1.233 10.487 453 HA GLN 67 HA GLN 67 -2.972 -0.332 10.852 454 1HB GLN 67 2HB GLN 67 -1.810 -2.234 9.305 455 2HB GLN 67 3HB GLN 67 -2.485 -3.275 10.543 456 1HG GLN 67 2HG GLN 67 -4.028 -1.229 8.879 457 2HG GLN 67 3HG GLN 67 -4.100 -2.970 8.694 458 1HE2 GLN 67 1HE2 GLN 67 -6.211 -1.066 9.282 459 2HE2 GLN 67 2HE2 GLN 67 -6.948 -1.542 10.775 460 H GLU 68 HN GLU 68 -0.954 -2.705 12.681 461 HA GLU 68 HA GLU 68 -2.958 -3.584 14.358 462 1HB GLU 68 2HB GLU 68 -0.847 -4.769 14.196 463 2HB GLU 68 3HB GLU 68 0.055 -3.369 14.742 464 1HG GLU 68 2HG GLU 68 -0.098 -4.715 16.687 465 2HG GLU 68 3HG GLU 68 -1.354 -3.516 16.924 466 H THR 69 HN THR 69 -0.832 -0.702 14.481 467 HA THR 69 HA THR 69 -1.496 0.025 17.138 468 HB THR 69 HB THR 69 -0.371 1.541 14.727 469 HG1 THR 69 HG1 THR 69 1.584 1.011 15.921 470 1HG2 THR 69 1HG2 THR 69 0.429 3.205 16.336 471 2HG2 THR 69 2HG2 THR 69 -1.336 3.081 16.527 472 3HG2 THR 69 3HG2 THR 69 -0.256 2.282 17.695 473 H ALA 70 HN ALA 70 -2.893 0.800 13.919 474 HA ALA 70 HA ALA 70 -4.680 2.739 14.929 475 1HB ALA 70 1HB ALA 70 -4.964 1.027 12.432 476 2HB ALA 70 2HB ALA 70 -5.645 2.645 12.725 477 3HB ALA 70 3HB ALA 70 -3.887 2.440 12.538 478 H LEU 71 HN LEU 71 -4.821 -0.818 14.413 479 HA LEU 71 HA LEU 71 -7.582 -1.010 15.000 480 1HB LEU 71 2HB LEU 71 -5.320 -2.811 14.459 481 2HB LEU 71 3HB LEU 71 -6.544 -3.481 15.518 482 HG LEU 71 HG LEU 71 -7.108 -2.305 12.783 483 1HD1 LEU 71 1HD1 LEU 71 -5.660 -4.441 12.918 484 2HD1 LEU 71 2HD1 LEU 71 -7.163 -5.244 13.431 485 3HD1 LEU 71 3HD1 LEU 71 -7.083 -4.435 11.848 486 1HD2 LEU 71 1HD2 LEU 71 -8.855 -2.692 14.878 487 2HD2 LEU 71 2HD2 LEU 71 -9.289 -2.600 13.154 488 3HD2 LEU 71 3HD2 LEU 71 -9.040 -4.184 13.926 489 H SER 72 HN SER 72 -4.544 -1.353 16.916 490 HA SER 72 HA SER 72 -5.804 -2.193 19.236 491 1HB SER 72 2HB SER 72 -3.315 -2.265 18.680 492 2HB SER 72 3HB SER 72 -3.243 -0.552 19.044 493 HG SER 72 HG SER 72 -2.710 -2.148 20.831 494 H ALA 73 HN ALA 73 -5.132 1.047 17.849 495 HA ALA 73 HA ALA 73 -5.782 2.508 20.170 496 1HB ALA 73 1HB ALA 73 -4.498 3.179 17.999 497 2HB ALA 73 2HB ALA 73 -6.116 3.517 17.340 498 3HB ALA 73 3HB ALA 73 -5.544 4.388 18.783 499 H MET 74 HN MET 74 -7.657 1.195 17.406 500 HA MET 74 HA MET 74 -9.988 2.603 17.937 501 1HB MET 74 2HB MET 74 -9.040 0.620 16.117 502 2HB MET 74 3HB MET 74 -10.430 -0.117 16.887 503 1HG MET 74 2HG MET 74 -11.154 2.601 16.290 504 2HG MET 74 3HG MET 74 -10.380 1.955 14.857 505 1HE MET 74 1HE MET 74 -10.700 -0.765 14.623 506 2HE MET 74 2HE MET 74 -12.343 -1.341 14.253 507 3HE MET 74 3HE MET 74 -11.616 -0.040 13.280 508 H ARG 75 HN ARG 75 -8.850 -0.666 19.005 509 HA ARG 75 HA ARG 75 -11.229 -1.095 20.475 510 1HB ARG 75 2HB ARG 75 -9.779 -2.925 19.463 511 2HB ARG 75 3HB ARG 75 -8.551 -2.566 20.661 512 1HG ARG 75 2HG ARG 75 -9.605 -3.902 22.154 513 2HG ARG 75 3HG ARG 75 -11.021 -2.871 22.088 514 1HD ARG 75 2HD ARG 75 -11.723 -4.140 19.967 515 2HD ARG 75 3HD ARG 75 -10.413 -5.259 20.283 516 HE ARG 75 HE ARG 75 -12.950 -5.136 21.689 517 1HH1 ARG 75 2HH2 ARG 75 -9.550 -5.944 22.098 518 2HH1 ARG 75 1HH2 ARG 75 -9.837 -7.045 23.404 519 1HH2 ARG 75 2HH1 ARG 75 -13.329 -6.589 23.412 520 2HH2 ARG 75 1HH1 ARG 75 -12.001 -7.414 24.156 521 H ASN 76 HN ASN 76 -8.071 0.376 21.027 522 HA ASN 76 HA ASN 76 -8.127 0.088 23.835 523 1HB ASN 76 2HB ASN 76 -6.498 1.707 21.846 524 2HB ASN 76 3HB ASN 76 -6.361 2.075 23.554 525 1HD2 ASN 76 1HD2 ASN 76 -4.486 0.904 21.570 526 2HD2 ASN 76 2HD2 ASN 76 -3.909 -0.579 22.256 527 H LEU 77 HN LEU 77 -9.257 2.429 21.386 528 HA LEU 77 HA LEU 77 -10.086 4.256 23.523 529 1HB LEU 77 2HB LEU 77 -9.758 4.715 20.555 530 2HB LEU 77 3HB LEU 77 -10.336 5.906 21.704 531 HG LEU 77 HG LEU 77 -7.737 4.720 22.426 532 1HD1 LEU 77 1HD1 LEU 77 -7.436 6.701 20.254 533 2HD1 LEU 77 2HD1 LEU 77 -6.457 5.271 20.660 534 3HD1 LEU 77 3HD1 LEU 77 -7.975 5.081 19.750 535 1HD2 LEU 77 1HD2 LEU 77 -9.170 7.283 22.608 536 2HD2 LEU 77 2HD2 LEU 77 -8.010 6.525 23.725 537 3HD2 LEU 77 3HD2 LEU 77 -7.422 7.433 22.311 538 H ASN 78 HN ASN 78 -11.498 4.012 20.251 539 HA ASN 78 HA ASN 78 -13.627 3.964 19.705 540 1HB ASN 78 2HB ASN 78 -13.353 1.642 19.410 541 2HB ASN 78 3HB ASN 78 -13.028 1.356 21.108 542 1HD2 ASN 78 1HD2 ASN 78 -15.549 2.297 18.810 543 2HD2 ASN 78 2HD2 ASN 78 -16.900 1.628 19.664 544 H GLY 79 HN GLY 79 -14.531 5.753 20.949 545 1HA GLY 79 1HA GLY 79 -16.145 6.599 22.293 546 2HA GLY 79 2HA GLY 79 -16.502 4.987 22.881 547 H ARG 80 HN ARG 80 -13.294 6.642 22.918 548 HA ARG 80 HA ARG 80 -13.096 6.039 25.690 549 1HB ARG 80 2HB ARG 80 -11.112 5.796 24.262 550 2HB ARG 80 3HB ARG 80 -11.229 7.462 23.732 551 1HG ARG 80 2HG ARG 80 -9.817 7.988 25.432 552 2HG ARG 80 3HG ARG 80 -11.157 7.701 26.523 553 1HD ARG 80 2HD ARG 80 -10.315 5.681 27.245 554 2HD ARG 80 3HD ARG 80 -9.759 5.221 25.648 555 HE ARG 80 HE ARG 80 -8.229 7.410 26.898 556 1HH1 ARG 80 2HH2 ARG 80 -8.488 3.939 26.380 557 2HH1 ARG 80 1HH2 ARG 80 -6.817 3.635 26.718 558 1HH2 ARG 80 2HH1 ARG 80 -6.024 7.009 27.345 559 2HH2 ARG 80 1HH1 ARG 80 -5.406 5.393 27.271 560 H GLU 81 HN GLU 81 -13.720 7.410 27.333 561 HA GLU 81 HA GLU 81 -14.841 9.875 26.779 562 1HB GLU 81 2HB GLU 81 -13.728 9.066 29.490 563 2HB GLU 81 3HB GLU 81 -15.107 10.095 29.158 564 1HG GLU 81 2HG GLU 81 -16.482 8.296 29.163 565 2HG GLU 81 3HG GLU 81 -15.584 7.583 27.838 566 H PHE 82 HN PHE 82 -14.063 11.992 26.806 567 HA PHE 82 HA PHE 82 -11.620 12.694 28.005 568 1HB PHE 82 2HB PHE 82 -10.770 11.397 26.017 569 2HB PHE 82 3HB PHE 82 -11.782 12.351 24.951 570 HD1 PHE 82 HD1 PHE 82 -11.267 14.787 24.634 571 HD2 PHE 82 HD2 PHE 82 -8.637 12.175 26.700 572 HE1 PHE 82 HE1 PHE 82 -9.396 16.432 24.331 573 HE2 PHE 82 HE2 PHE 82 -6.766 13.820 26.397 574 HZ PHE 82 HZ PHE 82 -7.167 15.929 25.216 575 H SER 83 HN SER 83 -12.028 14.756 28.632 576 HA SER 83 HA SER 83 -12.508 16.886 28.462 577 1HB SER 83 2HB SER 83 -12.171 16.278 25.767 578 2HB SER 83 3HB SER 83 -13.793 16.941 25.795 579 HG SER 83 HG SER 83 -11.811 18.354 27.265 580 H GLY 84 HN GLY 84 -14.423 14.413 28.852 581 1HA GLY 84 1HA GLY 84 -16.469 14.436 29.919 582 2HA GLY 84 2HA GLY 84 -16.805 16.036 29.289 583 H ARG 85 HN ARG 85 -15.503 13.797 26.950 584 HA ARG 85 HA ARG 85 -18.142 12.953 26.165 585 1HB ARG 85 2HB ARG 85 -16.387 14.855 24.625 586 2HB ARG 85 3HB ARG 85 -17.222 13.629 23.692 587 1HG ARG 85 2HG ARG 85 -19.233 14.540 25.396 588 2HG ARG 85 3HG ARG 85 -18.318 16.003 25.092 589 1HD ARG 85 2HD ARG 85 -18.507 15.622 22.630 590 2HD ARG 85 3HD ARG 85 -19.392 14.138 22.918 591 HE ARG 85 HE ARG 85 -20.769 16.157 24.336 592 1HH1 ARG 85 2HH2 ARG 85 -19.954 15.433 20.990 593 2HH1 ARG 85 1HH2 ARG 85 -21.348 16.234 20.344 594 1HH2 ARG 85 2HH1 ARG 85 -22.608 17.213 23.484 595 2HH2 ARG 85 1HH1 ARG 85 -22.867 17.253 21.771 596 H ALA 86 HN ALA 86 -18.070 11.120 24.602 597 HA ALA 86 HA ALA 86 -15.650 9.576 24.978 598 1HB ALA 86 1HB ALA 86 -18.404 9.031 24.874 599 2HB ALA 86 2HB ALA 86 -17.750 8.350 23.365 600 3HB ALA 86 3HB ALA 86 -17.083 7.840 24.934 601 H LEU 87 HN LEU 87 -14.226 8.956 23.349 602 HA LEU 87 HA LEU 87 -14.485 10.494 20.896 603 1HB LEU 87 2HB LEU 87 -12.280 9.242 22.435 604 2HB LEU 87 3HB LEU 87 -12.096 9.279 20.693 605 HG LEU 87 HG LEU 87 -11.237 11.237 22.291 606 1HD1 LEU 87 1HD1 LEU 87 -12.464 11.936 19.622 607 2HD1 LEU 87 2HD1 LEU 87 -10.996 12.596 20.383 608 3HD1 LEU 87 3HD1 LEU 87 -11.009 10.922 19.775 609 1HD2 LEU 87 1HD2 LEU 87 -12.706 13.068 22.516 610 2HD2 LEU 87 2HD2 LEU 87 -13.927 12.326 21.455 611 3HD2 LEU 87 3HD2 LEU 87 -13.620 11.645 23.070 612 H ARG 88 HN ARG 88 -16.109 9.406 19.738 613 HA ARG 88 HA ARG 88 -16.226 6.657 19.541 614 1HB ARG 88 2HB ARG 88 -17.908 8.610 18.832 615 2HB ARG 88 3HB ARG 88 -17.136 8.445 17.267 616 1HG ARG 88 2HG ARG 88 -17.833 6.166 17.028 617 2HG ARG 88 3HG ARG 88 -18.189 6.001 18.736 618 1HD ARG 88 2HD ARG 88 -19.824 8.150 17.899 619 2HD ARG 88 3HD ARG 88 -19.905 7.011 16.570 620 HE ARG 88 HE ARG 88 -20.194 5.599 19.064 621 1HH1 ARG 88 2HH2 ARG 88 -21.952 7.754 16.908 622 2HH1 ARG 88 1HH2 ARG 88 -23.511 7.179 17.397 623 1HH2 ARG 88 2HH1 ARG 88 -22.251 4.841 19.710 624 2HH2 ARG 88 1HH1 ARG 88 -23.682 5.511 19.002 625 H VAL 89 HN VAL 89 -14.399 5.514 18.866 626 HA VAL 89 HA VAL 89 -13.094 6.464 16.416 627 HB VAL 89 HB VAL 89 -12.075 4.543 18.516 628 1HG1 VAL 89 1HG1 VAL 89 -10.358 6.070 16.577 629 2HG1 VAL 89 2HG1 VAL 89 -10.040 4.529 17.409 630 3HG1 VAL 89 3HG1 VAL 89 -11.185 4.585 16.047 631 1HG2 VAL 89 1HG2 VAL 89 -10.553 6.862 18.675 632 2HG2 VAL 89 2HG2 VAL 89 -12.219 7.465 18.503 633 3HG2 VAL 89 3HG2 VAL 89 -11.810 6.344 19.824 634 H ASP 90 HN ASP 90 -13.467 5.360 14.565 635 HA ASP 90 HA ASP 90 -14.130 2.551 14.838 636 1HB ASP 90 2HB ASP 90 -15.630 3.636 12.632 637 2HB ASP 90 3HB ASP 90 -16.240 2.827 14.062 638 H ASN 91 HN ASN 91 -13.264 1.297 13.085 639 HA ASN 91 HA ASN 91 -11.081 2.027 11.833 640 1HB ASN 91 2HB ASN 91 -12.790 -0.144 11.656 641 2HB ASN 91 3HB ASN 91 -12.933 0.507 10.035 642 1HD2 ASN 91 1HD2 ASN 91 -11.401 0.132 8.591 643 2HD2 ASN 91 2HD2 ASN 91 -9.865 -0.612 8.891 644 H ALA 92 HN ALA 92 -10.480 3.405 10.122 645 HA ALA 92 HA ALA 92 -12.387 5.208 9.099 646 1HB ALA 92 1HB ALA 92 -9.528 4.571 8.263 647 2HB ALA 92 2HB ALA 92 -10.459 5.993 7.732 648 3HB ALA 92 3HB ALA 92 -10.036 5.797 9.450 649 H ALA 93 HN ALA 93 -11.347 1.998 8.179 650 HA ALA 93 HA ALA 93 -12.264 2.335 5.447 651 1HB ALA 93 1HB ALA 93 -11.005 0.493 5.020 652 2HB ALA 93 2HB ALA 93 -10.283 0.830 6.612 653 3HB ALA 93 3HB ALA 93 -11.594 -0.365 6.464 654 H SER 94 HN SER 94 -14.264 2.923 7.363 655 HA SER 94 HA SER 94 -15.830 0.507 7.547 656 1HB SER 94 2HB SER 94 -15.725 3.098 8.941 657 2HB SER 94 3HB SER 94 -17.367 2.636 8.541 658 HG SER 94 HG SER 94 -16.415 0.396 9.458 659 H GLU 95 HN GLU 95 -18.035 0.387 6.670 660 HA GLU 95 HA GLU 95 -18.187 1.425 4.095 661 1HB GLU 95 2HB GLU 95 -19.537 -0.519 5.643 662 2HB GLU 95 3HB GLU 95 -20.785 0.619 5.177 663 1HG GLU 95 2HG GLU 95 -20.841 -0.395 3.149 664 2HG GLU 95 3HG GLU 95 -19.266 0.301 2.826 665 H LYS 96 HN LYS 96 -19.510 2.479 7.249 666 HA LYS 96 HA LYS 96 -21.154 4.498 6.026 667 1HB LYS 96 2HB LYS 96 -20.483 3.922 8.927 668 2HB LYS 96 3HB LYS 96 -21.649 5.110 8.380 669 1HG LYS 96 2HG LYS 96 -21.962 2.345 7.261 670 2HG LYS 96 3HG LYS 96 -22.305 2.526 8.970 671 1HD LYS 96 2HD LYS 96 -23.703 4.655 8.136 672 2HD LYS 96 3HD LYS 96 -23.701 3.795 6.609 673 1HE LYS 96 2HE LYS 96 -25.074 2.104 7.392 674 2HE LYS 96 3HE LYS 96 -24.380 2.133 9.001 675 1HZ LYS 96 1HZ LYS 96 -26.230 4.142 7.916 676 2HZ LYS 96 2HZ LYS 96 -26.609 2.982 9.001 677 3HZ LYS 96 3HZ LYS 96 -25.577 4.179 9.412 678 H ASN 97 HN ASN 97 -17.920 4.178 7.489 679 HA ASN 97 HA ASN 97 -17.526 6.938 7.781 680 1HB ASN 97 2HB ASN 97 -15.614 4.559 7.584 681 2HB ASN 97 3HB ASN 97 -15.037 6.192 7.852 682 1HD2 ASN 97 1HD2 ASN 97 -14.247 4.852 9.771 683 2HD2 ASN 97 2HD2 ASN 97 -15.218 4.893 11.205 684 H LYS 98 HN LYS 98 -17.445 4.659 5.114 685 HA LYS 98 HA LYS 98 -15.551 5.933 3.479 686 1HB LYS 98 2HB LYS 98 -16.781 3.565 3.390 687 2HB LYS 98 3HB LYS 98 -17.847 4.427 2.299 688 1HG LYS 98 2HG LYS 98 -16.071 4.948 0.778 689 2HG LYS 98 3HG LYS 98 -14.831 4.597 1.965 690 1HD LYS 98 2HD LYS 98 -16.668 2.323 1.338 691 2HD LYS 98 3HD LYS 98 -15.638 2.834 0.015 692 1HE LYS 98 2HE LYS 98 -14.358 2.501 2.725 693 2HE LYS 98 3HE LYS 98 -14.810 1.046 1.860 694 1HZ LYS 98 1HZ LYS 98 -13.239 3.183 0.610 695 2HZ LYS 98 2HZ LYS 98 -12.549 1.933 1.403 696 3HZ LYS 98 3HZ LYS 98 -13.453 1.656 0.072 697 H GLU 99 HN GLU 99 -19.028 6.455 4.115 698 HA GLU 99 HA GLU 99 -19.442 8.129 1.921 699 1HB GLU 99 2HB GLU 99 -21.223 6.973 3.301 700 2HB GLU 99 3HB GLU 99 -20.923 8.125 4.587 701 1HG GLU 99 2HG GLU 99 -21.563 10.003 3.128 702 2HG GLU 99 3HG GLU 99 -21.711 8.932 1.749 703 H GLU 100 HN GLU 100 -18.342 8.677 5.297 704 HA GLU 100 HA GLU 100 -18.486 11.480 5.094 705 1HB GLU 100 2HB GLU 100 -18.093 9.614 7.138 706 2HB GLU 100 3HB GLU 100 -16.539 10.418 7.041 707 1HG GLU 100 2HG GLU 100 -17.531 11.982 8.392 708 2HG GLU 100 3HG GLU 100 -18.188 12.597 6.888 709 H LEU 101 HN LEU 101 -15.881 9.018 4.675 710 HA LEU 101 HA LEU 101 -13.795 10.857 4.349 711 1HB LEU 101 2HB LEU 101 -14.244 7.973 3.703 712 2HB LEU 101 3HB LEU 101 -12.841 8.784 3.036 713 HG LEU 101 HG LEU 101 -13.055 9.349 5.866 714 1HD1 LEU 101 1HD1 LEU 101 -13.478 6.520 5.019 715 2HD1 LEU 101 2HD1 LEU 101 -12.383 6.833 6.387 716 3HD1 LEU 101 3HD1 LEU 101 -14.070 7.395 6.452 717 1HD2 LEU 101 1HD2 LEU 101 -10.939 9.653 5.124 718 2HD2 LEU 101 2HD2 LEU 101 -10.778 7.951 5.622 719 3HD2 LEU 101 3HD2 LEU 101 -11.053 8.356 3.910 720 H LYS 102 HN LYS 102 -16.315 9.603 2.171 721 HA LYS 102 HA LYS 102 -15.152 10.261 -0.252 722 1HB LYS 102 2HB LYS 102 -17.392 9.017 0.433 723 2HB LYS 102 3HB LYS 102 -18.099 10.599 0.172 724 1HG LYS 102 2HG LYS 102 -18.231 9.532 -1.956 725 2HG LYS 102 3HG LYS 102 -16.872 10.630 -2.102 726 1HD LYS 102 2HD LYS 102 -15.342 8.679 -1.462 727 2HD LYS 102 3HD LYS 102 -16.739 7.627 -1.570 728 1HE LYS 102 2HE LYS 102 -16.094 9.445 -3.904 729 2HE LYS 102 3HE LYS 102 -15.149 7.986 -3.680 730 1HZ LYS 102 1HZ LYS 102 -18.018 7.710 -3.501 731 2HZ LYS 102 2HZ LYS 102 -17.403 8.006 -4.985 732 3HZ LYS 102 3HZ LYS 102 -16.912 6.695 -4.144 733 H SER 103 HN SER 103 -16.590 12.278 2.283 734 HA SER 103 HA SER 103 -16.719 14.537 0.527 735 1HB SER 103 2HB SER 103 -17.084 14.440 3.553 736 2HB SER 103 3HB SER 103 -17.584 15.736 2.484 737 HG SER 103 HG SER 103 -19.037 13.637 3.222 738 H LEU 104 HN LEU 104 -14.610 13.145 3.050 739 HA LEU 104 HA LEU 104 -13.011 15.519 3.260 740 1HB LEU 104 2HB LEU 104 -13.534 13.493 4.938 741 2HB LEU 104 3HB LEU 104 -12.046 12.888 4.239 742 HG LEU 104 HG LEU 104 -10.801 14.783 5.000 743 1HD1 LEU 104 1HD1 LEU 104 -13.499 15.992 5.537 744 2HD1 LEU 104 2HD1 LEU 104 -12.063 16.542 6.434 745 3HD1 LEU 104 3HD1 LEU 104 -12.105 16.666 4.658 746 1HD2 LEU 104 1HD2 LEU 104 -10.985 13.146 6.690 747 2HD2 LEU 104 2HD2 LEU 104 -11.280 14.707 7.493 748 3HD2 LEU 104 3HD2 LEU 104 -12.647 13.637 7.099 749 H GLY 105 HN GLY 105 -13.476 13.389 0.785 750 1HA GLY 105 1HA GLY 105 -10.665 13.021 0.087 751 2HA GLY 105 2HA GLY 105 -12.067 12.377 -0.744 752 H THR 106 HN THR 106 -10.685 15.628 0.141 753 HA THR 106 HA THR 106 -10.490 16.418 -2.572 754 HB THR 106 HB THR 106 -13.013 16.489 -2.196 755 HG1 THR 106 HG1 THR 106 -11.522 19.009 -2.431 756 1HG2 THR 106 1HG2 THR 106 -13.985 17.963 -0.658 757 2HG2 THR 106 2HG2 THR 106 -12.545 17.490 0.275 758 3HG2 THR 106 3HG2 THR 106 -12.558 19.025 -0.625 759 H GLY 107 HN GLY 107 -9.642 18.630 -2.797 760 1HA GLY 107 1HA GLY 107 -8.825 19.963 -0.356 761 2HA GLY 107 2HA GLY 107 -7.526 19.196 -1.248 762 H ALA 108 HN ALA 108 -7.474 21.955 -0.925 763 HA ALA 108 HA ALA 108 -6.977 22.935 -3.375 764 1HB ALA 108 1HB ALA 108 -9.858 22.697 -2.969 765 2HB ALA 108 2HB ALA 108 -9.379 24.386 -3.262 766 3HB ALA 108 3HB ALA 108 -8.951 23.122 -4.441 767 HA PRO 109 HA PRO 109 -7.683 26.373 -0.205 768 1HB PRO 109 2HB PRO 109 -9.032 25.862 2.116 769 2HB PRO 109 3HB PRO 109 -9.794 26.550 0.696 770 1HG PRO 109 2HG PRO 109 -9.986 23.795 1.751 771 2HG PRO 109 3HG PRO 109 -11.042 24.612 0.616 772 1HD PRO 109 2HD PRO 109 -9.049 22.644 -0.004 773 2HD PRO 109 3HD PRO 109 -10.024 23.545 -1.148 774 H VAL 110 HN VAL 110 -5.513 26.456 0.085 775 HA VAL 110 HA VAL 110 -4.676 25.212 2.592 776 HB VAL 110 HB VAL 110 -4.124 23.695 0.716 777 1HG1 VAL 110 1HG1 VAL 110 -2.110 24.522 -0.715 778 2HG1 VAL 110 2HG1 VAL 110 -3.759 25.012 -1.170 779 3HG1 VAL 110 3HG1 VAL 110 -2.701 26.149 -0.300 780 1HG2 VAL 110 1HG2 VAL 110 -2.433 23.059 2.021 781 2HG2 VAL 110 2HG2 VAL 110 -1.406 24.346 1.342 782 3HG2 VAL 110 3HG2 VAL 110 -2.411 24.672 2.775 783 H ILE 111 HN ILE 111 -2.945 26.332 3.649 784 HA ILE 111 HA ILE 111 -2.567 29.031 2.563 785 HB ILE 111 HB ILE 111 -2.113 29.679 4.896 786 1HG1 ILE 111 2HG1 ILE 111 -3.324 27.288 6.088 787 2HG1 ILE 111 3HG1 ILE 111 -1.768 26.968 5.349 788 1HG2 ILE 111 1HG2 ILE 111 -4.753 28.504 4.076 789 2HG2 ILE 111 2HG2 ILE 111 -4.548 29.213 5.696 790 3HG2 ILE 111 3HG2 ILE 111 -4.267 30.208 4.247 791 1HD1 ILE 111 1HD1 ILE 111 -1.049 27.680 7.436 792 2HD1 ILE 111 2HD1 ILE 111 -1.099 29.253 6.606 793 3HD1 ILE 111 3HD1 ILE 111 -2.444 28.762 7.663 Start of MODEL 11 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.546 0.697 -1.896 3 1HB ASP 8 2HB ASP 8 3.647 0.690 0.035 4 2HB ASP 8 3HB ASP 8 4.183 -0.377 -1.247 5 HA PRO 9 HA PRO 9 2.998 -3.842 -2.270 6 1HB PRO 9 2HB PRO 9 3.133 -5.412 -0.037 7 2HB PRO 9 3HB PRO 9 4.519 -4.570 -0.703 8 1HG PRO 9 2HG PRO 9 2.929 -3.910 1.701 9 2HG PRO 9 3HG PRO 9 4.534 -3.360 1.261 10 1HD PRO 9 2HD PRO 9 2.092 -1.868 1.060 11 2HD PRO 9 3HD PRO 9 3.678 -1.361 0.513 12 H ALA 10 HN ALA 10 1.214 -4.731 0.608 13 HA ALA 10 HA ALA 10 -1.244 -4.893 -0.855 14 1HB ALA 10 1HB ALA 10 -1.345 -7.447 -0.288 15 2HB ALA 10 2HB ALA 10 -0.472 -6.918 -1.746 16 3HB ALA 10 3HB ALA 10 0.431 -7.338 -0.271 17 H VAL 11 HN VAL 11 -1.104 -3.265 1.128 18 HA VAL 11 HA VAL 11 -1.211 -4.434 3.707 19 HB VAL 11 HB VAL 11 -2.212 -1.745 2.754 20 1HG1 VAL 11 1HG1 VAL 11 -2.498 -2.934 5.232 21 2HG1 VAL 11 2HG1 VAL 11 -1.027 -1.952 5.431 22 3HG1 VAL 11 3HG1 VAL 11 -2.544 -1.186 4.903 23 1HG2 VAL 11 1HG2 VAL 11 0.500 -2.825 2.965 24 2HG2 VAL 11 2HG2 VAL 11 -0.081 -1.328 2.198 25 3HG2 VAL 11 3HG2 VAL 11 0.266 -1.356 3.943 26 H ASP 12 HN ASP 12 -3.560 -3.728 1.126 27 HA ASP 12 HA ASP 12 -5.849 -3.785 2.628 28 1HB ASP 12 2HB ASP 12 -5.149 -3.721 -0.101 29 2HB ASP 12 3HB ASP 12 -6.101 -5.185 0.044 30 H ARG 13 HN ARG 13 -3.819 -6.402 1.200 31 HA ARG 13 HA ARG 13 -5.614 -8.463 1.698 32 1HB ARG 13 2HB ARG 13 -2.984 -8.149 0.596 33 2HB ARG 13 3HB ARG 13 -2.847 -9.371 1.844 34 1HG ARG 13 2HG ARG 13 -4.155 -10.889 0.703 35 2HG ARG 13 3HG ARG 13 -5.244 -9.658 0.094 36 1HD ARG 13 2HD ARG 13 -2.608 -9.272 -1.084 37 2HD ARG 13 3HD ARG 13 -3.101 -10.939 -1.306 38 HE ARG 13 HE ARG 13 -5.372 -9.439 -1.961 39 1HH1 ARG 13 2HH2 ARG 13 -2.046 -9.605 -3.100 40 2HH1 ARG 13 1HH2 ARG 13 -2.440 -9.119 -4.715 41 1HH2 ARG 13 2HH1 ARG 13 -5.892 -8.798 -4.092 42 2HH2 ARG 13 1HH1 ARG 13 -4.643 -8.657 -5.283 43 H SER 14 HN SER 14 -2.924 -6.987 3.588 44 HA SER 14 HA SER 14 -2.881 -8.912 5.590 45 1HB SER 14 2HB SER 14 -1.682 -6.310 5.050 46 2HB SER 14 3HB SER 14 -2.145 -6.413 6.737 47 HG SER 14 HG SER 14 0.073 -7.281 5.962 48 H LEU 15 HN LEU 15 -4.932 -6.072 4.962 49 HA LEU 15 HA LEU 15 -5.984 -5.881 7.583 50 1HB LEU 15 2HB LEU 15 -6.713 -4.796 4.886 51 2HB LEU 15 3HB LEU 15 -7.828 -4.627 6.228 52 HG LEU 15 HG LEU 15 -5.111 -3.803 6.937 53 1HD1 LEU 15 1HD1 LEU 15 -5.750 -1.571 5.497 54 2HD1 LEU 15 2HD1 LEU 15 -4.571 -2.809 5.002 55 3HD1 LEU 15 3HD1 LEU 15 -6.239 -2.871 4.384 56 1HD2 LEU 15 1HD2 LEU 15 -7.746 -3.274 7.718 57 2HD2 LEU 15 2HD2 LEU 15 -6.257 -2.534 8.354 58 3HD2 LEU 15 3HD2 LEU 15 -7.147 -1.746 7.029 59 H ARG 16 HN ARG 16 -6.372 -8.148 5.007 60 HA ARG 16 HA ARG 16 -9.006 -8.871 5.934 61 1HB ARG 16 2HB ARG 16 -7.333 -10.098 3.685 62 2HB ARG 16 3HB ARG 16 -9.032 -10.408 3.985 63 1HG ARG 16 2HG ARG 16 -8.919 -7.609 3.839 64 2HG ARG 16 3HG ARG 16 -7.755 -8.113 2.630 65 1HD ARG 16 2HD ARG 16 -10.580 -9.262 2.787 66 2HD ARG 16 3HD ARG 16 -10.174 -7.869 1.805 67 HE ARG 16 HE ARG 16 -9.594 -10.629 1.174 68 1HH1 ARG 16 2HH2 ARG 16 -8.290 -7.377 0.842 69 2HH1 ARG 16 1HH2 ARG 16 -7.376 -7.752 -0.581 70 1HH2 ARG 16 2HH1 ARG 16 -8.387 -11.123 -0.702 71 2HH2 ARG 16 1HH1 ARG 16 -7.431 -9.897 -1.465 72 H SER 17 HN SER 17 -5.923 -10.628 5.079 73 HA SER 17 HA SER 17 -6.378 -12.984 6.169 74 1HB SER 17 2HB SER 17 -3.843 -12.889 6.882 75 2HB SER 17 3HB SER 17 -4.272 -12.772 5.187 76 HG SER 17 HG SER 17 -4.078 -10.371 6.744 77 H VAL 18 HN VAL 18 -7.133 -13.680 8.132 78 HA VAL 18 HA VAL 18 -6.485 -12.012 10.462 79 HB VAL 18 HB VAL 18 -8.578 -13.434 11.305 80 1HG1 VAL 18 1HG1 VAL 18 -8.999 -11.006 9.543 81 2HG1 VAL 18 2HG1 VAL 18 -9.916 -11.497 10.988 82 3HG1 VAL 18 3HG1 VAL 18 -8.241 -10.917 11.151 83 1HG2 VAL 18 1HG2 VAL 18 -10.252 -13.711 9.560 84 2HG2 VAL 18 2HG2 VAL 18 -9.108 -13.122 8.330 85 3HG2 VAL 18 3HG2 VAL 18 -8.802 -14.664 9.165 86 H PHE 19 HN PHE 19 -5.181 -12.895 11.985 87 HA PHE 19 HA PHE 19 -4.279 -15.581 11.588 88 1HB PHE 19 2HB PHE 19 -2.644 -13.975 12.324 89 2HB PHE 19 3HB PHE 19 -3.767 -13.208 13.430 90 HD1 PHE 19 HD1 PHE 19 -4.040 -14.011 15.674 91 HD2 PHE 19 HD2 PHE 19 -1.540 -16.094 12.951 92 HE1 PHE 19 HE1 PHE 19 -3.075 -15.336 17.575 93 HE2 PHE 19 HE2 PHE 19 -0.574 -17.419 14.852 94 HZ PHE 19 HZ PHE 19 -1.353 -17.024 17.141 95 H VAL 20 HN VAL 20 -4.921 -17.417 12.645 96 HA VAL 20 HA VAL 20 -6.747 -17.022 14.915 97 HB VAL 20 HB VAL 20 -6.758 -19.320 12.956 98 1HG1 VAL 20 1HG1 VAL 20 -7.747 -19.618 15.271 99 2HG1 VAL 20 2HG1 VAL 20 -8.949 -18.382 14.829 100 3HG1 VAL 20 3HG1 VAL 20 -8.861 -19.906 13.913 101 1HG2 VAL 20 1HG2 VAL 20 -7.490 -17.770 11.472 102 2HG2 VAL 20 2HG2 VAL 20 -9.024 -17.962 12.355 103 3HG2 VAL 20 3HG2 VAL 20 -7.939 -16.605 12.741 104 H GLY 21 HN GLY 21 -6.243 -18.058 16.811 105 1HA GLY 21 1HA GLY 21 -4.094 -20.078 16.711 106 2HA GLY 21 2HA GLY 21 -3.988 -18.709 17.800 107 H ASN 22 HN ASN 22 -3.881 -20.811 19.272 108 HA ASN 22 HA ASN 22 -4.783 -21.948 20.881 109 1HB ASN 22 2HB ASN 22 -5.976 -19.691 21.307 110 2HB ASN 22 3HB ASN 22 -7.371 -20.364 20.486 111 1HD2 ASN 22 1HD2 ASN 22 -8.732 -20.421 22.185 112 2HD2 ASN 22 2HD2 ASN 22 -8.545 -21.433 23.578 113 H ILE 23 HN ILE 23 -5.185 -22.680 17.965 114 HA ILE 23 HA ILE 23 -7.735 -24.102 18.091 115 HB ILE 23 HB ILE 23 -5.963 -24.002 15.683 116 1HG1 ILE 23 2HG1 ILE 23 -7.831 -21.761 16.508 117 2HG1 ILE 23 3HG1 ILE 23 -6.082 -21.681 16.573 118 1HG2 ILE 23 1HG2 ILE 23 -8.761 -24.658 16.331 119 2HG2 ILE 23 2HG2 ILE 23 -8.543 -23.668 14.868 120 3HG2 ILE 23 3HG2 ILE 23 -7.713 -25.236 15.013 121 1HD1 ILE 23 1HD1 ILE 23 -6.353 -20.795 14.463 122 2HD1 ILE 23 2HD1 ILE 23 -6.366 -22.513 13.999 123 3HD1 ILE 23 3HD1 ILE 23 -7.901 -21.634 14.198 124 HA PRO 24 HA PRO 24 -5.369 -27.624 19.118 125 1HB PRO 24 2HB PRO 24 -7.465 -29.310 19.599 126 2HB PRO 24 3HB PRO 24 -6.814 -28.221 20.808 127 1HG PRO 24 2HG PRO 24 -9.321 -27.986 19.260 128 2HG PRO 24 3HG PRO 24 -8.864 -27.166 20.739 129 1HD PRO 24 2HD PRO 24 -8.876 -26.055 18.095 130 2HD PRO 24 3HD PRO 24 -8.310 -25.274 19.557 131 H TYR 25 HN TYR 25 -5.478 -30.121 18.527 132 HA TYR 25 HA TYR 25 -5.202 -30.089 15.691 133 1HB TYR 25 2HB TYR 25 -5.313 -32.318 17.819 134 2HB TYR 25 3HB TYR 25 -4.693 -32.540 16.195 135 HD1 TYR 25 HD1 TYR 25 -4.038 -31.016 19.489 136 HD2 TYR 25 HD2 TYR 25 -2.489 -31.732 15.565 137 HE1 TYR 25 HE1 TYR 25 -1.715 -30.347 20.276 138 HE2 TYR 25 HE2 TYR 25 -0.171 -31.061 16.366 139 HH TYR 25 HH TYR 25 0.341 -30.008 19.723 140 H GLU 26 HN GLU 26 -7.893 -30.417 17.789 141 HA GLU 26 HA GLU 26 -9.255 -32.313 16.137 142 1HB GLU 26 2HB GLU 26 -9.636 -31.073 18.769 143 2HB GLU 26 3HB GLU 26 -11.131 -31.098 17.855 144 1HG GLU 26 2HG GLU 26 -9.358 -33.563 18.122 145 2HG GLU 26 3HG GLU 26 -10.605 -33.184 19.293 146 H ALA 27 HN ALA 27 -8.529 -29.003 15.951 147 HA ALA 27 HA ALA 27 -10.980 -28.466 14.421 148 1HB ALA 27 1HB ALA 27 -10.623 -27.001 16.379 149 2HB ALA 27 2HB ALA 27 -9.020 -26.551 15.752 150 3HB ALA 27 3HB ALA 27 -10.487 -26.088 14.858 151 H THR 28 HN THR 28 -10.424 -29.270 12.392 152 HA THR 28 HA THR 28 -7.832 -28.517 11.296 153 HB THR 28 HB THR 28 -8.721 -30.052 9.412 154 HG1 THR 28 HG1 THR 28 -10.991 -29.694 10.086 155 1HG2 THR 28 1HG2 THR 28 -9.109 -31.869 11.635 156 2HG2 THR 28 2HG2 THR 28 -7.692 -31.732 10.566 157 3HG2 THR 28 3HG2 THR 28 -7.787 -30.751 12.049 158 H GLU 29 HN GLU 29 -7.957 -27.923 8.815 159 HA GLU 29 HA GLU 29 -8.980 -25.375 8.745 160 1HB GLU 29 2HB GLU 29 -7.704 -27.257 6.849 161 2HB GLU 29 3HB GLU 29 -8.751 -26.090 6.067 162 1HG GLU 29 2HG GLU 29 -7.518 -24.326 7.605 163 2HG GLU 29 3HG GLU 29 -6.301 -25.575 7.779 164 H GLU 30 HN GLU 30 -10.448 -28.505 7.951 165 HA GLU 30 HA GLU 30 -12.498 -27.551 6.345 166 1HB GLU 30 2HB GLU 30 -11.735 -30.046 7.630 167 2HB GLU 30 3HB GLU 30 -13.464 -29.808 7.792 168 1HG GLU 30 2HG GLU 30 -13.542 -29.299 5.286 169 2HG GLU 30 3HG GLU 30 -11.857 -29.775 5.197 170 H GLN 31 HN GLN 31 -12.035 -27.665 9.873 171 HA GLN 31 HA GLN 31 -14.786 -26.975 10.323 172 1HB GLN 31 2HB GLN 31 -12.409 -27.456 12.159 173 2HB GLN 31 3HB GLN 31 -13.946 -26.876 12.769 174 1HG GLN 31 2HG GLN 31 -14.620 -29.053 11.084 175 2HG GLN 31 3HG GLN 31 -13.188 -29.584 11.942 176 1HE2 GLN 31 1HE2 GLN 31 -13.171 -29.657 14.206 177 2HE2 GLN 31 2HE2 GLN 31 -14.625 -29.743 15.143 178 H LEU 32 HN LEU 32 -11.498 -25.502 10.638 179 HA LEU 32 HA LEU 32 -12.322 -23.081 11.723 180 1HB LEU 32 2HB LEU 32 -9.939 -24.083 10.245 181 2HB LEU 32 3HB LEU 32 -10.133 -22.348 10.399 182 HG LEU 32 HG LEU 32 -10.183 -22.534 12.839 183 1HD1 LEU 32 1HD1 LEU 32 -10.398 -25.419 12.232 184 2HD1 LEU 32 2HD1 LEU 32 -9.313 -24.991 13.577 185 3HD1 LEU 32 3HD1 LEU 32 -11.017 -24.477 13.610 186 1HD2 LEU 32 1HD2 LEU 32 -7.881 -23.552 11.244 187 2HD2 LEU 32 2HD2 LEU 32 -8.029 -22.095 12.255 188 3HD2 LEU 32 3HD2 LEU 32 -7.788 -23.686 13.017 189 H LYS 33 HN LYS 33 -11.860 -24.090 8.273 190 HA LYS 33 HA LYS 33 -12.529 -21.634 7.163 191 1HB LYS 33 2HB LYS 33 -11.483 -23.769 6.120 192 2HB LYS 33 3HB LYS 33 -13.137 -24.280 5.851 193 1HG LYS 33 2HG LYS 33 -13.562 -22.600 4.292 194 2HG LYS 33 3HG LYS 33 -12.448 -21.470 5.036 195 1HD LYS 33 2HD LYS 33 -11.466 -23.987 3.628 196 2HD LYS 33 3HD LYS 33 -11.761 -22.499 2.750 197 1HE LYS 33 2HE LYS 33 -10.008 -21.347 3.826 198 2HE LYS 33 3HE LYS 33 -10.054 -22.378 5.242 199 1HZ LYS 33 1HZ LYS 33 -9.434 -24.096 3.292 200 2HZ LYS 33 2HZ LYS 33 -8.654 -22.752 2.789 201 3HZ LYS 33 3HZ LYS 33 -8.344 -23.370 4.268 202 H ASP 34 HN ASP 34 -14.537 -24.350 8.356 203 HA ASP 34 HA ASP 34 -16.912 -23.417 7.241 204 1HB ASP 34 2HB ASP 34 -16.069 -25.628 8.743 205 2HB ASP 34 3HB ASP 34 -17.167 -24.813 9.839 206 H ILE 35 HN ILE 35 -15.110 -22.803 10.283 207 HA ILE 35 HA ILE 35 -17.208 -21.469 11.622 208 HB ILE 35 HB ILE 35 -14.212 -21.431 11.996 209 1HG1 ILE 35 2HG1 ILE 35 -16.079 -22.827 13.856 210 2HG1 ILE 35 3HG1 ILE 35 -15.814 -23.567 12.290 211 1HG2 ILE 35 1HG2 ILE 35 -15.780 -19.485 12.939 212 2HG2 ILE 35 2HG2 ILE 35 -16.060 -20.699 14.211 213 3HG2 ILE 35 3HG2 ILE 35 -14.405 -20.146 13.857 214 1HD1 ILE 35 1HD1 ILE 35 -13.746 -24.274 12.890 215 2HD1 ILE 35 2HD1 ILE 35 -13.280 -22.638 13.415 216 3HD1 ILE 35 3HD1 ILE 35 -14.120 -23.728 14.543 217 H PHE 36 HN PHE 36 -14.385 -20.354 9.648 218 HA PHE 36 HA PHE 36 -15.050 -17.626 9.923 219 1HB PHE 36 2HB PHE 36 -13.244 -19.441 8.327 220 2HB PHE 36 3HB PHE 36 -13.564 -17.885 7.587 221 HD1 PHE 36 HD1 PHE 36 -10.997 -19.252 8.945 222 HD2 PHE 36 HD2 PHE 36 -13.709 -16.180 10.046 223 HE1 PHE 36 HE1 PHE 36 -9.227 -18.205 10.383 224 HE2 PHE 36 HE2 PHE 36 -11.939 -15.132 11.484 225 HZ PHE 36 HZ PHE 36 -9.719 -16.157 11.636 226 H SER 37 HN SER 37 -16.061 -20.232 7.729 227 HA SER 37 HA SER 37 -16.948 -18.624 5.655 228 1HB SER 37 2HB SER 37 -18.220 -20.595 4.936 229 2HB SER 37 3HB SER 37 -16.632 -21.083 5.493 230 HG SER 37 HG SER 37 -19.183 -21.566 6.637 231 H GLU 38 HN GLU 38 -18.358 -19.550 8.796 232 HA GLU 38 HA GLU 38 -20.987 -18.872 8.196 233 1HB GLU 38 2HB GLU 38 -20.778 -20.153 10.134 234 2HB GLU 38 3HB GLU 38 -19.374 -19.273 10.703 235 1HG GLU 38 2HG GLU 38 -20.693 -17.419 11.460 236 2HG GLU 38 3HG GLU 38 -22.088 -17.916 10.524 237 H VAL 39 HN VAL 39 -18.182 -16.935 8.422 238 HA VAL 39 HA VAL 39 -19.743 -14.580 9.201 239 HB VAL 39 HB VAL 39 -16.760 -14.686 8.861 240 1HG1 VAL 39 1HG1 VAL 39 -16.797 -12.636 9.759 241 2HG1 VAL 39 2HG1 VAL 39 -18.560 -12.664 9.519 242 3HG1 VAL 39 3HG1 VAL 39 -17.868 -13.152 11.084 243 1HG2 VAL 39 1HG2 VAL 39 -17.446 -16.598 10.315 244 2HG2 VAL 39 2HG2 VAL 39 -16.469 -15.372 11.158 245 3HG2 VAL 39 3HG2 VAL 39 -18.230 -15.434 11.410 246 H GLY 40 HN GLY 40 -19.289 -16.299 6.502 247 1HA GLY 40 1HA GLY 40 -20.104 -14.928 4.544 248 2HA GLY 40 2HA GLY 40 -18.664 -13.962 4.804 249 HA PRO 41 HA PRO 41 -17.548 -17.394 2.016 250 1HB PRO 41 2HB PRO 41 -16.763 -15.913 -0.143 251 2HB PRO 41 3HB PRO 41 -18.369 -16.595 0.018 252 1HG PRO 41 2HG PRO 41 -17.506 -13.787 0.352 253 2HG PRO 41 3HG PRO 41 -19.120 -14.416 0.088 254 1HD PRO 41 2HD PRO 41 -18.025 -13.485 2.570 255 2HD PRO 41 3HD PRO 41 -19.597 -14.220 2.328 256 H VAL 42 HN VAL 42 -15.771 -18.323 2.801 257 HA VAL 42 HA VAL 42 -13.540 -16.564 3.338 258 HB VAL 42 HB VAL 42 -14.426 -18.418 4.844 259 1HG1 VAL 42 1HG1 VAL 42 -12.684 -20.340 3.373 260 2HG1 VAL 42 2HG1 VAL 42 -14.134 -20.629 4.364 261 3HG1 VAL 42 3HG1 VAL 42 -14.300 -20.022 2.698 262 1HG2 VAL 42 1HG2 VAL 42 -12.263 -17.247 5.163 263 2HG2 VAL 42 2HG2 VAL 42 -12.210 -18.944 5.696 264 3HG2 VAL 42 3HG2 VAL 42 -11.471 -18.475 4.147 265 H VAL 43 HN VAL 43 -11.928 -16.171 1.916 266 HA VAL 43 HA VAL 43 -11.943 -17.374 -0.627 267 HB VAL 43 HB VAL 43 -9.861 -15.719 0.812 268 1HG1 VAL 43 1HG1 VAL 43 -9.115 -15.166 -1.548 269 2HG1 VAL 43 2HG1 VAL 43 -8.743 -16.813 -0.984 270 3HG1 VAL 43 3HG1 VAL 43 -10.107 -16.540 -2.094 271 1HG2 VAL 43 1HG2 VAL 43 -10.803 -13.834 -0.451 272 2HG2 VAL 43 2HG2 VAL 43 -12.034 -14.912 -1.151 273 3HG2 VAL 43 3HG2 VAL 43 -12.028 -14.586 0.599 274 H SER 44 HN SER 44 -9.277 -17.450 1.843 275 HA SER 44 HA SER 44 -9.110 -20.290 1.491 276 1HB SER 44 2HB SER 44 -7.614 -19.967 -0.243 277 2HB SER 44 3HB SER 44 -7.139 -18.374 0.312 278 HG SER 44 HG SER 44 -6.281 -20.933 1.347 279 H PHE 45 HN PHE 45 -7.457 -21.244 3.069 280 HA PHE 45 HA PHE 45 -6.727 -19.394 5.195 281 1HB PHE 45 2HB PHE 45 -9.068 -20.654 5.442 282 2HB PHE 45 3HB PHE 45 -8.095 -22.086 5.710 283 HD1 PHE 45 HD1 PHE 45 -10.029 -20.994 7.695 284 HD2 PHE 45 HD2 PHE 45 -5.895 -20.212 7.143 285 HE1 PHE 45 HE1 PHE 45 -9.818 -20.396 10.123 286 HE2 PHE 45 HE2 PHE 45 -5.684 -19.613 9.571 287 HZ PHE 45 HZ PHE 45 -7.648 -19.712 11.032 288 H ARG 46 HN ARG 46 -4.581 -19.702 5.529 289 HA ARG 46 HA ARG 46 -3.630 -22.435 5.197 290 1HB ARG 46 2HB ARG 46 -2.162 -19.788 4.745 291 2HB ARG 46 3HB ARG 46 -1.379 -21.355 4.684 292 1HG ARG 46 2HG ARG 46 -1.922 -21.376 2.473 293 2HG ARG 46 3HG ARG 46 -3.556 -21.739 2.993 294 1HD ARG 46 2HD ARG 46 -4.324 -19.672 2.392 295 2HD ARG 46 3HD ARG 46 -2.981 -18.853 3.165 296 HE ARG 46 HE ARG 46 -3.177 -19.596 0.349 297 1HH1 ARG 46 2HH2 ARG 46 -0.927 -18.934 2.972 298 2HH1 ARG 46 1HH2 ARG 46 0.373 -18.490 1.916 299 1HH2 ARG 46 2HH1 ARG 46 -1.463 -19.010 -1.045 300 2HH2 ARG 46 1HH1 ARG 46 0.066 -18.534 -0.384 301 H LEU 47 HN LEU 47 -2.452 -23.346 6.915 302 HA LEU 47 HA LEU 47 -1.880 -21.538 9.158 303 1HB LEU 47 2HB LEU 47 -2.299 -24.023 10.281 304 2HB LEU 47 3HB LEU 47 -3.371 -22.639 10.346 305 HG LEU 47 HG LEU 47 -4.561 -24.668 9.700 306 1HD1 LEU 47 1HD1 LEU 47 -4.806 -23.390 7.113 307 2HD1 LEU 47 2HD1 LEU 47 -5.949 -23.439 8.476 308 3HD1 LEU 47 3HD1 LEU 47 -4.687 -22.185 8.417 309 1HD2 LEU 47 1HD2 LEU 47 -2.275 -25.253 8.212 310 2HD2 LEU 47 2HD2 LEU 47 -3.793 -26.180 8.264 311 3HD2 LEU 47 3HD2 LEU 47 -3.542 -24.955 6.998 312 H VAL 48 HN VAL 48 -0.207 -22.614 10.707 313 HA VAL 48 HA VAL 48 1.998 -23.414 9.016 314 HB VAL 48 HB VAL 48 3.216 -23.235 11.253 315 1HG1 VAL 48 1HG1 VAL 48 1.876 -20.932 9.835 316 2HG1 VAL 48 2HG1 VAL 48 2.981 -20.656 11.203 317 3HG1 VAL 48 3HG1 VAL 48 3.565 -21.484 9.739 318 1HG2 VAL 48 1HG2 VAL 48 2.153 -22.657 13.151 319 2HG2 VAL 48 2HG2 VAL 48 1.102 -21.485 12.320 320 3HG2 VAL 48 3HG2 VAL 48 0.682 -23.215 12.319 321 H TYR 49 HN TYR 49 2.547 -25.496 8.650 322 HA TYR 49 HA TYR 49 1.696 -27.462 10.668 323 1HB TYR 49 2HB TYR 49 1.276 -27.135 7.727 324 2HB TYR 49 3HB TYR 49 1.940 -28.707 8.124 325 HD1 TYR 49 HD1 TYR 49 0.471 -30.437 8.636 326 HD2 TYR 49 HD2 TYR 49 -0.807 -26.396 9.224 327 HE1 TYR 49 HE1 TYR 49 -1.855 -31.255 9.254 328 HE2 TYR 49 HE2 TYR 49 -3.129 -27.228 9.840 329 HH TYR 49 HH TYR 49 -4.498 -29.008 9.694 330 H ASP 50 HN ASP 50 3.408 -28.452 11.602 331 HA ASP 50 HA ASP 50 5.982 -28.089 10.554 332 1HB ASP 50 2HB ASP 50 4.709 -29.358 12.906 333 2HB ASP 50 3HB ASP 50 6.143 -30.214 12.376 334 H ARG 51 HN ARG 51 6.642 -29.199 8.700 335 HA ARG 51 HA ARG 51 5.381 -31.590 7.941 336 1HB ARG 51 2HB ARG 51 7.800 -30.046 6.915 337 2HB ARG 51 3HB ARG 51 7.347 -31.581 6.201 338 1HG ARG 51 2HG ARG 51 5.059 -30.684 5.723 339 2HG ARG 51 3HG ARG 51 5.511 -29.149 6.438 340 1HD ARG 51 2HD ARG 51 7.570 -29.558 4.603 341 2HD ARG 51 3HD ARG 51 6.196 -30.259 3.770 342 HE ARG 51 HE ARG 51 5.314 -28.114 3.491 343 1HH1 ARG 51 2HH2 ARG 51 7.673 -28.040 6.101 344 2HH1 ARG 51 1HH2 ARG 51 7.603 -26.320 6.288 345 1HH2 ARG 51 2HH1 ARG 51 5.221 -25.844 3.737 346 2HH2 ARG 51 1HH1 ARG 51 6.198 -25.062 4.934 347 H GLU 52 HN GLU 52 8.302 -30.712 9.757 348 HA GLU 52 HA GLU 52 9.586 -33.193 9.451 349 1HB GLU 52 2HB GLU 52 10.155 -30.658 10.625 350 2HB GLU 52 3HB GLU 52 10.322 -31.833 11.914 351 1HG GLU 52 2HG GLU 52 12.377 -32.314 11.075 352 2HG GLU 52 3HG GLU 52 11.564 -33.096 9.735 353 H THR 53 HN THR 53 7.120 -31.877 11.648 354 HA THR 53 HA THR 53 7.222 -34.379 13.195 355 HB THR 53 HB THR 53 5.548 -32.302 14.345 356 HG1 THR 53 HG1 THR 53 7.397 -30.747 14.493 357 1HG2 THR 53 1HG2 THR 53 6.601 -33.157 16.181 358 2HG2 THR 53 2HG2 THR 53 7.690 -34.089 15.127 359 3HG2 THR 53 3HG2 THR 53 8.128 -32.436 15.620 360 H GLY 54 HN GLY 54 5.700 -33.018 10.558 361 1HA GLY 54 1HA GLY 54 3.737 -33.386 9.521 362 2HA GLY 54 2HA GLY 54 3.784 -34.963 10.284 363 H LYS 55 HN LYS 55 3.784 -32.186 12.435 364 HA LYS 55 HA LYS 55 0.925 -32.650 12.936 365 1HB LYS 55 2HB LYS 55 3.256 -32.693 14.736 366 2HB LYS 55 3HB LYS 55 1.936 -31.695 15.311 367 1HG LYS 55 2HG LYS 55 0.543 -33.493 15.649 368 2HG LYS 55 3HG LYS 55 1.058 -34.301 14.182 369 1HD LYS 55 2HD LYS 55 2.631 -35.547 15.277 370 2HD LYS 55 3HD LYS 55 3.210 -34.175 16.202 371 1HE LYS 55 2HE LYS 55 2.223 -35.187 17.995 372 2HE LYS 55 3HE LYS 55 0.715 -34.579 17.341 373 1HZ LYS 55 1HZ LYS 55 1.286 -36.880 15.960 374 2HZ LYS 55 2HZ LYS 55 1.586 -37.228 17.527 375 3HZ LYS 55 3HZ LYS 55 0.119 -36.666 17.082 376 HA PRO 56 HA PRO 56 0.487 -28.416 12.201 377 1HB PRO 56 2HB PRO 56 -1.962 -27.969 13.327 378 2HB PRO 56 3HB PRO 56 -1.753 -28.663 11.731 379 1HG PRO 56 2HG PRO 56 -2.520 -30.006 14.251 380 2HG PRO 56 3HG PRO 56 -2.715 -30.569 12.603 381 1HD PRO 56 2HD PRO 56 -0.732 -31.431 14.488 382 2HD PRO 56 3HD PRO 56 -0.857 -31.908 12.806 383 H LYS 57 HN LYS 57 1.130 -26.470 12.981 384 HA LYS 57 HA LYS 57 2.247 -26.465 15.517 385 1HB LYS 57 2HB LYS 57 1.911 -24.633 13.297 386 2HB LYS 57 3HB LYS 57 1.699 -23.791 14.819 387 1HG LYS 57 2HG LYS 57 4.062 -25.620 14.178 388 2HG LYS 57 3HG LYS 57 4.099 -23.874 14.039 389 1HD LYS 57 2HD LYS 57 3.245 -23.959 16.570 390 2HD LYS 57 3HD LYS 57 3.926 -25.573 16.535 391 1HE LYS 57 2HE LYS 57 6.031 -24.311 15.453 392 2HE LYS 57 3HE LYS 57 5.332 -22.913 16.245 393 1HZ LYS 57 1HZ LYS 57 5.238 -24.434 18.263 394 2HZ LYS 57 2HZ LYS 57 6.304 -25.379 17.465 395 3HZ LYS 57 3HZ LYS 57 6.694 -23.835 17.828 396 H GLY 58 HN GLY 58 -0.805 -24.845 14.379 397 1HA GLY 58 1HA GLY 58 -2.687 -25.463 15.995 398 2HA GLY 58 2HA GLY 58 -1.656 -24.717 17.199 399 H TYR 59 HN TYR 59 -0.691 -22.882 14.769 400 HA TYR 59 HA TYR 59 -3.033 -21.103 14.844 401 1HB TYR 59 2HB TYR 59 -1.351 -19.271 15.101 402 2HB TYR 59 3HB TYR 59 -1.103 -20.449 16.375 403 HD1 TYR 59 HD1 TYR 59 0.288 -18.967 13.328 404 HD2 TYR 59 HD2 TYR 59 0.855 -21.949 16.343 405 HE1 TYR 59 HE1 TYR 59 2.719 -19.221 12.629 406 HE2 TYR 59 HE2 TYR 59 3.285 -22.193 15.634 407 HH TYR 59 HH TYR 59 4.684 -21.797 13.847 408 H GLY 60 HN GLY 60 -3.138 -19.547 13.026 409 1HA GLY 60 1HA GLY 60 -1.411 -19.864 10.774 410 2HA GLY 60 2HA GLY 60 -2.922 -20.723 10.551 411 H PHE 61 HN PHE 61 -2.996 -19.003 8.721 412 HA PHE 61 HA PHE 61 -4.420 -16.681 9.799 413 1HB PHE 61 2HB PHE 61 -2.517 -16.792 7.385 414 2HB PHE 61 3HB PHE 61 -3.285 -15.346 8.009 415 HD1 PHE 61 HD1 PHE 61 -2.706 -14.721 10.478 416 HD2 PHE 61 HD2 PHE 61 -0.372 -17.337 8.087 417 HE1 PHE 61 HE1 PHE 61 -0.723 -14.306 11.959 418 HE2 PHE 61 HE2 PHE 61 1.611 -16.922 9.569 419 HZ PHE 61 HZ PHE 61 1.412 -15.411 11.487 420 H CYS 62 HN CYS 62 -6.315 -16.139 8.724 421 HA CYS 62 HA CYS 62 -6.946 -17.858 6.437 422 1HB CYS 62 2HB CYS 62 -8.286 -18.145 8.606 423 2HB CYS 62 3HB CYS 62 -8.982 -16.572 8.271 424 HG CYS 62 HG CYS 62 -10.441 -17.130 6.450 425 H GLU 63 HN GLU 63 -7.142 -16.774 4.505 426 HA GLU 63 HA GLU 63 -7.333 -13.885 4.673 427 1HB GLU 63 2HB GLU 63 -5.483 -14.441 3.334 428 2HB GLU 63 3HB GLU 63 -6.281 -15.824 2.613 429 1HG GLU 63 2HG GLU 63 -7.667 -14.430 1.213 430 2HG GLU 63 3HG GLU 63 -7.269 -12.986 2.123 431 H TYR 64 HN TYR 64 -9.164 -12.792 4.045 432 HA TYR 64 HA TYR 64 -11.347 -14.431 3.007 433 1HB TYR 64 2HB TYR 64 -10.886 -11.860 4.547 434 2HB TYR 64 3HB TYR 64 -12.321 -11.895 3.542 435 HD1 TYR 64 HD1 TYR 64 -10.754 -13.133 6.590 436 HD2 TYR 64 HD2 TYR 64 -14.132 -13.551 3.998 437 HE1 TYR 64 HE1 TYR 64 -12.012 -14.373 8.418 438 HE2 TYR 64 HE2 TYR 64 -15.379 -14.790 5.835 439 HH TYR 64 HH TYR 64 -14.637 -16.214 7.866 440 H GLN 65 HN GLN 65 -12.934 -12.521 1.777 441 HA GLN 65 HA GLN 65 -11.268 -11.891 -0.525 442 1HB GLN 65 2HB GLN 65 -13.444 -13.448 -0.540 443 2HB GLN 65 3HB GLN 65 -14.280 -11.912 -0.650 444 1HG GLN 65 2HG GLN 65 -12.834 -11.307 -2.633 445 2HG GLN 65 3HG GLN 65 -12.096 -12.894 -2.547 446 1HE2 GLN 65 1HE2 GLN 65 -13.300 -14.745 -3.002 447 2HE2 GLN 65 2HE2 GLN 65 -14.774 -14.703 -3.910 448 H ASP 66 HN ASP 66 -13.117 -10.554 2.099 449 HA ASP 66 HA ASP 66 -12.777 -7.938 0.880 450 1HB ASP 66 2HB ASP 66 -15.081 -8.138 2.721 451 2HB ASP 66 3HB ASP 66 -14.970 -7.342 1.164 452 H GLN 67 HN GLN 67 -11.856 -6.447 2.351 453 HA GLN 67 HA GLN 67 -10.728 -7.389 4.668 454 1HB GLN 67 2HB GLN 67 -9.750 -5.470 3.667 455 2HB GLN 67 3HB GLN 67 -11.275 -4.609 3.594 456 1HG GLN 67 2HG GLN 67 -11.306 -4.523 6.121 457 2HG GLN 67 3HG GLN 67 -9.732 -5.294 6.140 458 1HE2 GLN 67 1HE2 GLN 67 -8.389 -4.150 4.111 459 2HE2 GLN 67 2HE2 GLN 67 -8.163 -2.451 4.363 460 H GLU 68 HN GLU 68 -13.865 -5.764 4.070 461 HA GLU 68 HA GLU 68 -14.434 -5.201 6.727 462 1HB GLU 68 2HB GLU 68 -15.680 -4.130 4.946 463 2HB GLU 68 3HB GLU 68 -16.216 -5.670 4.304 464 1HG GLU 68 2HG GLU 68 -16.954 -5.489 7.115 465 2HG GLU 68 3HG GLU 68 -17.512 -4.056 6.275 466 H THR 69 HN THR 69 -14.898 -8.120 4.696 467 HA THR 69 HA THR 69 -16.539 -9.487 6.564 468 HB THR 69 HB THR 69 -14.742 -10.776 4.473 469 HG1 THR 69 HG1 THR 69 -16.697 -10.068 3.086 470 1HG2 THR 69 1HG2 THR 69 -16.672 -12.201 4.102 471 2HG2 THR 69 2HG2 THR 69 -16.453 -12.119 5.867 472 3HG2 THR 69 3HG2 THR 69 -17.716 -11.142 5.080 473 H ALA 70 HN ALA 70 -12.993 -9.344 5.982 474 HA ALA 70 HA ALA 70 -12.402 -11.388 7.839 475 1HB ALA 70 1HB ALA 70 -10.233 -9.537 7.568 476 2HB ALA 70 2HB ALA 70 -10.429 -11.132 6.802 477 3HB ALA 70 3HB ALA 70 -11.040 -9.672 5.987 478 H LEU 71 HN LEU 71 -12.760 -7.815 8.020 479 HA LEU 71 HA LEU 71 -11.801 -7.636 10.676 480 1HB LEU 71 2HB LEU 71 -12.942 -5.882 8.630 481 2HB LEU 71 3HB LEU 71 -13.420 -5.445 10.258 482 HG LEU 71 HG LEU 71 -10.541 -5.840 9.406 483 1HD1 LEU 71 1HD1 LEU 71 -10.364 -3.395 9.333 484 2HD1 LEU 71 2HD1 LEU 71 -11.517 -4.010 8.124 485 3HD1 LEU 71 3HD1 LEU 71 -12.115 -3.258 9.623 486 1HD2 LEU 71 1HD2 LEU 71 -11.603 -4.379 11.831 487 2HD2 LEU 71 2HD2 LEU 71 -11.145 -6.099 11.848 488 3HD2 LEU 71 3HD2 LEU 71 -9.927 -4.858 11.472 489 H SER 72 HN SER 72 -15.057 -7.969 9.161 490 HA SER 72 HA SER 72 -16.469 -7.665 11.525 491 1HB SER 72 2HB SER 72 -17.037 -8.906 8.833 492 2HB SER 72 3HB SER 72 -18.184 -9.169 10.131 493 HG SER 72 HG SER 72 -18.748 -7.056 10.144 494 H ALA 73 HN ALA 73 -14.929 -10.493 9.935 495 HA ALA 73 HA ALA 73 -16.094 -12.443 11.603 496 1HB ALA 73 1HB ALA 73 -14.816 -12.573 9.294 497 2HB ALA 73 2HB ALA 73 -13.381 -12.755 10.331 498 3HB ALA 73 3HB ALA 73 -14.719 -13.924 10.450 499 H MET 74 HN MET 74 -13.164 -10.379 11.801 500 HA MET 74 HA MET 74 -11.993 -11.729 13.921 501 1HB MET 74 2HB MET 74 -11.527 -9.406 12.324 502 2HB MET 74 3HB MET 74 -11.555 -8.817 13.974 503 1HG MET 74 2HG MET 74 -10.031 -11.202 14.106 504 2HG MET 74 3HG MET 74 -9.511 -10.434 12.619 505 1HE MET 74 1HE MET 74 -9.361 -7.706 12.604 506 2HE MET 74 2HE MET 74 -8.058 -7.085 13.645 507 3HE MET 74 3HE MET 74 -7.763 -8.489 12.591 508 H ARG 75 HN ARG 75 -14.262 -8.909 13.823 509 HA ARG 75 HA ARG 75 -14.259 -8.706 16.643 510 1HB ARG 75 2HB ARG 75 -14.672 -6.724 15.227 511 2HB ARG 75 3HB ARG 75 -16.070 -7.489 14.499 512 1HG ARG 75 2HG ARG 75 -17.378 -7.290 16.462 513 2HG ARG 75 3HG ARG 75 -15.977 -7.162 17.507 514 1HD ARG 75 2HD ARG 75 -15.507 -4.896 16.750 515 2HD ARG 75 3HD ARG 75 -16.670 -5.022 15.445 516 HE ARG 75 HE ARG 75 -17.257 -4.457 18.251 517 1HH1 ARG 75 2HH2 ARG 75 -18.580 -5.753 15.259 518 2HH1 ARG 75 1HH2 ARG 75 -20.225 -5.438 15.700 519 1HH2 ARG 75 2HH1 ARG 75 -19.427 -4.041 18.834 520 2HH2 ARG 75 1HH1 ARG 75 -20.710 -4.458 17.747 521 H ASN 76 HN ASN 76 -16.030 -10.507 14.191 522 HA ASN 76 HA ASN 76 -18.337 -10.923 15.764 523 1HB ASN 76 2HB ASN 76 -17.203 -12.038 13.192 524 2HB ASN 76 3HB ASN 76 -18.468 -12.959 13.981 525 1HD2 ASN 76 1HD2 ASN 76 -18.105 -9.467 14.161 526 2HD2 ASN 76 2HD2 ASN 76 -19.526 -9.031 13.272 527 H LEU 77 HN LEU 77 -15.173 -12.499 15.224 528 HA LEU 77 HA LEU 77 -15.986 -14.696 16.988 529 1HB LEU 77 2HB LEU 77 -13.846 -14.460 14.880 530 2HB LEU 77 3HB LEU 77 -13.856 -15.748 16.068 531 HG LEU 77 HG LEU 77 -16.278 -16.205 15.217 532 1HD1 LEU 77 1HD1 LEU 77 -16.896 -15.475 13.097 533 2HD1 LEU 77 2HD1 LEU 77 -16.187 -14.021 13.840 534 3HD1 LEU 77 3HD1 LEU 77 -15.241 -14.976 12.673 535 1HD2 LEU 77 1HD2 LEU 77 -15.006 -17.989 14.732 536 2HD2 LEU 77 2HD2 LEU 77 -15.024 -17.330 13.079 537 3HD2 LEU 77 3HD2 LEU 77 -13.645 -16.998 14.154 538 H ASN 78 HN ASN 78 -12.639 -13.662 16.335 539 HA ASN 78 HA ASN 78 -11.029 -13.317 17.791 540 1HB ASN 78 2HB ASN 78 -11.462 -11.015 17.482 541 2HB ASN 78 3HB ASN 78 -13.052 -11.108 18.214 542 1HD2 ASN 78 1HD2 ASN 78 -13.015 -9.740 19.841 543 2HD2 ASN 78 2HD2 ASN 78 -11.866 -9.698 21.136 544 H GLY 79 HN GLY 79 -11.185 -15.258 19.142 545 1HA GLY 79 1HA GLY 79 -11.136 -16.163 21.230 546 2HA GLY 79 2HA GLY 79 -11.855 -14.709 21.893 547 H ARG 80 HN ARG 80 -13.173 -16.608 19.134 548 HA ARG 80 HA ARG 80 -15.619 -16.836 20.602 549 1HB ARG 80 2HB ARG 80 -15.002 -16.479 17.911 550 2HB ARG 80 3HB ARG 80 -15.419 -18.181 17.951 551 1HG ARG 80 2HG ARG 80 -17.303 -16.540 19.522 552 2HG ARG 80 3HG ARG 80 -17.226 -16.032 17.847 553 1HD ARG 80 2HD ARG 80 -17.709 -18.904 18.779 554 2HD ARG 80 3HD ARG 80 -18.959 -17.807 18.227 555 HE ARG 80 HE ARG 80 -16.736 -18.189 16.329 556 1HH1 ARG 80 2HH2 ARG 80 -19.933 -19.249 17.348 557 2HH1 ARG 80 1HH2 ARG 80 -20.318 -19.975 15.823 558 1HH2 ARG 80 2HH1 ARG 80 -17.244 -19.147 14.317 559 2HH2 ARG 80 1HH1 ARG 80 -18.778 -19.917 14.088 560 H GLU 81 HN GLU 81 -16.167 -18.648 21.780 561 HA GLU 81 HA GLU 81 -14.440 -20.783 22.003 562 1HB GLU 81 2HB GLU 81 -17.417 -20.839 22.644 563 2HB GLU 81 3HB GLU 81 -16.157 -21.798 23.394 564 1HG GLU 81 2HG GLU 81 -15.656 -20.139 24.863 565 2HG GLU 81 3HG GLU 81 -15.483 -18.963 23.575 566 H PHE 82 HN PHE 82 -14.417 -22.907 21.149 567 HA PHE 82 HA PHE 82 -16.490 -23.890 19.519 568 1HB PHE 82 2HB PHE 82 -15.536 -22.166 17.967 569 2HB PHE 82 3HB PHE 82 -13.918 -22.775 18.251 570 HD1 PHE 82 HD1 PHE 82 -13.262 -25.000 17.347 571 HD2 PHE 82 HD2 PHE 82 -16.984 -23.205 16.381 572 HE1 PHE 82 HE1 PHE 82 -13.503 -26.552 15.389 573 HE2 PHE 82 HE2 PHE 82 -17.225 -24.758 14.424 574 HZ PHE 82 HZ PHE 82 -15.481 -26.413 13.951 575 H SER 83 HN SER 83 -16.374 -26.051 19.879 576 HA SER 83 HA SER 83 -15.561 -28.065 20.055 577 1HB SER 83 2HB SER 83 -13.489 -26.751 18.544 578 2HB SER 83 3HB SER 83 -12.712 -27.801 19.713 579 HG SER 83 HG SER 83 -13.754 -29.599 18.863 580 H GLY 84 HN GLY 84 -15.313 -25.714 22.126 581 1HA GLY 84 1HA GLY 84 -15.036 -25.934 24.407 582 2HA GLY 84 2HA GLY 84 -14.014 -27.337 24.171 583 H ARG 85 HN ARG 85 -13.306 -24.650 22.059 584 HA ARG 85 HA ARG 85 -11.339 -23.643 23.921 585 1HB ARG 85 2HB ARG 85 -10.782 -24.952 21.247 586 2HB ARG 85 3HB ARG 85 -9.751 -23.630 21.758 587 1HG ARG 85 2HG ARG 85 -10.328 -25.897 23.686 588 2HG ARG 85 3HG ARG 85 -9.138 -26.126 22.420 589 1HD ARG 85 2HD ARG 85 -7.628 -25.094 23.772 590 2HD ARG 85 3HD ARG 85 -8.493 -23.597 23.488 591 HE ARG 85 HE ARG 85 -9.269 -23.703 25.680 592 1HH1 ARG 85 2HH2 ARG 85 -8.475 -26.964 24.623 593 2HH1 ARG 85 1HH2 ARG 85 -8.817 -27.684 26.161 594 1HH2 ARG 85 2HH1 ARG 85 -9.721 -24.652 27.710 595 2HH2 ARG 85 1HH1 ARG 85 -9.530 -26.359 27.929 596 H ALA 86 HN ALA 86 -10.611 -21.444 23.387 597 HA ALA 86 HA ALA 86 -12.608 -20.009 21.880 598 1HB ALA 86 1HB ALA 86 -11.568 -18.047 22.853 599 2HB ALA 86 2HB ALA 86 -11.720 -19.285 24.123 600 3HB ALA 86 3HB ALA 86 -10.144 -18.992 23.350 601 H LEU 87 HN LEU 87 -12.332 -19.026 19.890 602 HA LEU 87 HA LEU 87 -9.913 -19.802 18.476 603 1HB LEU 87 2HB LEU 87 -12.708 -19.301 17.804 604 2HB LEU 87 3HB LEU 87 -11.599 -18.508 16.703 605 HG LEU 87 HG LEU 87 -10.946 -21.331 17.294 606 1HD1 LEU 87 1HD1 LEU 87 -13.554 -21.074 17.155 607 2HD1 LEU 87 2HD1 LEU 87 -13.239 -20.919 15.410 608 3HD1 LEU 87 3HD1 LEU 87 -12.721 -22.382 16.281 609 1HD2 LEU 87 1HD2 LEU 87 -11.109 -21.005 14.568 610 2HD2 LEU 87 2HD2 LEU 87 -10.665 -19.375 15.130 611 3HD2 LEU 87 3HD2 LEU 87 -9.651 -20.773 15.562 612 H ARG 88 HN ARG 88 -8.323 -18.396 19.273 613 HA ARG 88 HA ARG 88 -8.809 -15.678 19.610 614 1HB ARG 88 2HB ARG 88 -6.649 -17.521 20.017 615 2HB ARG 88 3HB ARG 88 -6.002 -16.222 19.035 616 1HG ARG 88 2HG ARG 88 -5.733 -15.129 21.026 617 2HG ARG 88 3HG ARG 88 -7.443 -14.774 20.880 618 1HD ARG 88 2HD ARG 88 -7.551 -17.292 21.999 619 2HD ARG 88 3HD ARG 88 -6.055 -16.701 22.693 620 HE ARG 88 HE ARG 88 -7.739 -14.569 23.092 621 1HH1 ARG 88 2HH2 ARG 88 -8.065 -18.005 23.774 622 2HH1 ARG 88 1HH2 ARG 88 -9.108 -17.766 25.136 623 1HH2 ARG 88 2HH1 ARG 88 -9.115 -14.253 24.889 624 2HH2 ARG 88 1HH1 ARG 88 -9.709 -15.617 25.774 625 H VAL 89 HN VAL 89 -9.563 -14.537 17.805 626 HA VAL 89 HA VAL 89 -8.008 -14.838 15.335 627 HB VAL 89 HB VAL 89 -10.789 -13.730 15.771 628 1HG1 VAL 89 1HG1 VAL 89 -9.248 -13.003 13.752 629 2HG1 VAL 89 2HG1 VAL 89 -9.718 -14.594 13.105 630 3HG1 VAL 89 3HG1 VAL 89 -10.967 -13.388 13.499 631 1HG2 VAL 89 1HG2 VAL 89 -9.818 -16.462 15.525 632 2HG2 VAL 89 2HG2 VAL 89 -11.450 -15.861 15.906 633 3HG2 VAL 89 3HG2 VAL 89 -10.943 -16.048 14.210 634 H ASP 90 HN ASP 90 -6.596 -13.245 14.849 635 HA ASP 90 HA ASP 90 -7.292 -10.575 15.727 636 1HB ASP 90 2HB ASP 90 -4.413 -10.998 15.917 637 2HB ASP 90 3HB ASP 90 -5.510 -10.353 17.121 638 H ASN 91 HN ASN 91 -6.106 -8.898 14.416 639 HA ASN 91 HA ASN 91 -6.092 -9.342 11.790 640 1HB ASN 91 2HB ASN 91 -5.308 -7.244 13.509 641 2HB ASN 91 3HB ASN 91 -3.870 -7.542 12.554 642 1HD2 ASN 91 1HD2 ASN 91 -3.854 -7.184 10.367 643 2HD2 ASN 91 2HD2 ASN 91 -5.094 -6.320 9.521 644 H ALA 92 HN ALA 92 -4.874 -10.721 10.491 645 HA ALA 92 HA ALA 92 -2.645 -12.103 11.471 646 1HB ALA 92 1HB ALA 92 -2.597 -13.104 9.317 647 2HB ALA 92 2HB ALA 92 -4.311 -12.725 9.610 648 3HB ALA 92 3HB ALA 92 -3.338 -11.680 8.548 649 H ALA 93 HN ALA 93 -3.006 -8.869 10.368 650 HA ALA 93 HA ALA 93 -0.212 -8.727 9.516 651 1HB ALA 93 1HB ALA 93 -0.878 -7.029 8.173 652 2HB ALA 93 2HB ALA 93 -2.526 -7.621 8.488 653 3HB ALA 93 3HB ALA 93 -1.863 -6.281 9.453 654 H SER 94 HN SER 94 -0.798 -9.329 12.284 655 HA SER 94 HA SER 94 -0.646 -6.874 13.708 656 1HB SER 94 2HB SER 94 -1.151 -9.651 14.301 657 2HB SER 94 3HB SER 94 0.150 -9.107 15.340 658 HG SER 94 HG SER 94 -1.304 -8.085 16.517 659 H GLU 95 HN GLU 95 1.206 -6.285 15.146 660 HA GLU 95 HA GLU 95 3.614 -6.465 13.734 661 1HB GLU 95 2HB GLU 95 2.629 -5.184 16.232 662 2HB GLU 95 3HB GLU 95 4.345 -5.540 16.227 663 1HG GLU 95 2HG GLU 95 4.803 -4.041 14.517 664 2HG GLU 95 3HG GLU 95 3.265 -4.308 13.719 665 H LYS 96 HN LYS 96 2.222 -8.194 16.542 666 HA LYS 96 HA LYS 96 4.691 -9.501 17.169 667 1HB LYS 96 2HB LYS 96 3.542 -10.454 18.955 668 2HB LYS 96 3HB LYS 96 2.769 -8.893 18.765 669 1HG LYS 96 2HG LYS 96 0.887 -9.884 17.564 670 2HG LYS 96 3HG LYS 96 1.696 -11.435 17.462 671 1HD LYS 96 2HD LYS 96 1.454 -11.856 19.804 672 2HD LYS 96 3HD LYS 96 1.134 -10.172 20.167 673 1HE LYS 96 2HE LYS 96 -1.099 -10.387 19.738 674 2HE LYS 96 3HE LYS 96 -0.817 -11.261 18.245 675 1HZ LYS 96 1HZ LYS 96 -0.111 -12.864 20.426 676 2HZ LYS 96 2HZ LYS 96 -1.629 -12.303 20.646 677 3HZ LYS 96 3HZ LYS 96 -1.253 -13.132 19.290 678 H ASN 97 HN ASN 97 1.804 -10.110 15.169 679 HA ASN 97 HA ASN 97 2.288 -12.839 14.838 680 1HB ASN 97 2HB ASN 97 0.265 -12.652 13.795 681 2HB ASN 97 3HB ASN 97 0.360 -10.911 13.980 682 1HD2 ASN 97 1HD2 ASN 97 1.382 -9.652 12.340 683 2HD2 ASN 97 2HD2 ASN 97 1.412 -10.182 10.691 684 H LYS 98 HN LYS 98 3.836 -9.960 13.677 685 HA LYS 98 HA LYS 98 4.596 -10.721 11.108 686 1HB LYS 98 2HB LYS 98 4.975 -8.536 12.820 687 2HB LYS 98 3HB LYS 98 6.594 -9.122 12.496 688 1HG LYS 98 2HG LYS 98 6.383 -7.841 10.597 689 2HG LYS 98 3HG LYS 98 5.585 -9.271 9.972 690 1HD LYS 98 2HD LYS 98 3.383 -8.265 10.914 691 2HD LYS 98 3HD LYS 98 4.279 -6.774 11.129 692 1HE LYS 98 2HE LYS 98 3.739 -6.298 8.968 693 2HE LYS 98 3HE LYS 98 4.943 -7.486 8.514 694 1HZ LYS 98 1HZ LYS 98 2.058 -7.867 8.782 695 2HZ LYS 98 2HZ LYS 98 3.009 -8.170 7.489 696 3HZ LYS 98 3HZ LYS 98 3.076 -9.144 8.798 697 H GLU 99 HN GLU 99 5.741 -11.677 14.324 698 HA GLU 99 HA GLU 99 8.193 -12.704 13.415 699 1HB GLU 99 2HB GLU 99 7.591 -12.048 15.804 700 2HB GLU 99 3HB GLU 99 6.641 -13.517 15.909 701 1HG GLU 99 2HG GLU 99 8.584 -14.473 16.643 702 2HG GLU 99 3HG GLU 99 9.008 -14.534 14.943 703 H GLU 100 HN GLU 100 4.888 -14.034 13.872 704 HA GLU 100 HA GLU 100 5.694 -16.694 13.411 705 1HB GLU 100 2HB GLU 100 2.998 -15.287 13.416 706 2HB GLU 100 3HB GLU 100 3.144 -16.998 13.065 707 1HG GLU 100 2HG GLU 100 3.756 -17.546 15.242 708 2HG GLU 100 3HG GLU 100 4.569 -16.018 15.519 709 H LEU 101 HN LEU 101 4.275 -14.057 11.394 710 HA LEU 101 HA LEU 101 3.891 -15.601 9.098 711 1HB LEU 101 2HB LEU 101 3.944 -12.749 9.835 712 2HB LEU 101 3HB LEU 101 4.336 -13.082 8.159 713 HG LEU 101 HG LEU 101 1.870 -14.265 9.426 714 1HD1 LEU 101 1HD1 LEU 101 0.578 -12.386 9.073 715 2HD1 LEU 101 2HD1 LEU 101 2.095 -11.677 9.677 716 3HD1 LEU 101 3HD1 LEU 101 1.739 -11.664 7.933 717 1HD2 LEU 101 1HD2 LEU 101 3.034 -14.670 6.984 718 2HD2 LEU 101 2HD2 LEU 101 1.313 -14.924 7.359 719 3HD2 LEU 101 3HD2 LEU 101 1.845 -13.397 6.616 720 H LYS 102 HN LYS 102 6.734 -13.871 10.427 721 HA LYS 102 HA LYS 102 8.378 -13.793 8.282 722 1HB LYS 102 2HB LYS 102 8.691 -13.950 11.199 723 2HB LYS 102 3HB LYS 102 10.071 -14.577 10.321 724 1HG LYS 102 2HG LYS 102 8.852 -11.956 9.431 725 2HG LYS 102 3HG LYS 102 9.865 -11.971 10.860 726 1HD LYS 102 2HD LYS 102 11.752 -12.103 9.605 727 2HD LYS 102 3HD LYS 102 11.155 -13.519 8.763 728 1HE LYS 102 2HE LYS 102 9.618 -11.465 7.650 729 2HE LYS 102 3HE LYS 102 11.168 -10.685 7.901 730 1HZ LYS 102 1HZ LYS 102 11.877 -13.049 6.887 731 2HZ LYS 102 2HZ LYS 102 10.476 -12.780 6.092 732 3HZ LYS 102 3HZ LYS 102 11.687 -11.687 6.006 733 H SER 103 HN SER 103 7.233 -16.644 10.058 734 HA SER 103 HA SER 103 9.152 -18.321 8.753 735 1HB SER 103 2HB SER 103 7.123 -18.596 10.909 736 2HB SER 103 3HB SER 103 7.314 -20.027 9.915 737 HG SER 103 HG SER 103 9.797 -19.335 10.358 738 H LEU 104 HN LEU 104 5.699 -17.400 8.519 739 HA LEU 104 HA LEU 104 5.202 -19.383 6.480 740 1HB LEU 104 2HB LEU 104 3.667 -18.065 8.376 741 2HB LEU 104 3HB LEU 104 3.184 -17.315 6.868 742 HG LEU 104 HG LEU 104 2.552 -19.458 5.929 743 1HD1 LEU 104 1HD1 LEU 104 3.669 -21.270 6.581 744 2HD1 LEU 104 2HD1 LEU 104 4.182 -20.505 8.105 745 3HD1 LEU 104 3HD1 LEU 104 2.594 -21.304 8.000 746 1HD2 LEU 104 1HD2 LEU 104 0.847 -20.142 7.817 747 2HD2 LEU 104 2HD2 LEU 104 1.434 -18.646 8.583 748 3HD2 LEU 104 3HD2 LEU 104 0.701 -18.587 6.962 749 H GLY 105 HN GLY 105 7.090 -16.768 6.441 750 1HA GLY 105 1HA GLY 105 6.332 -14.912 4.658 751 2HA GLY 105 2HA GLY 105 7.938 -15.613 4.686 752 H THR 106 HN THR 106 5.330 -14.974 2.700 753 HA THR 106 HA THR 106 4.472 -15.913 0.832 754 HB THR 106 HB THR 106 6.299 -16.141 -0.879 755 HG1 THR 106 HG1 THR 106 8.390 -16.455 -0.070 756 1HG2 THR 106 1HG2 THR 106 5.845 -13.815 -0.356 757 2HG2 THR 106 2HG2 THR 106 6.651 -13.951 1.225 758 3HG2 THR 106 3HG2 THR 106 7.613 -14.000 -0.272 759 H GLY 107 HN GLY 107 7.247 -18.056 0.448 760 1HA GLY 107 1HA GLY 107 7.440 -20.307 0.792 761 2HA GLY 107 2HA GLY 107 5.856 -20.348 1.539 762 H ALA 108 HN ALA 108 5.625 -22.363 0.175 763 HA ALA 108 HA ALA 108 3.993 -21.852 -2.026 764 1HB ALA 108 1HB ALA 108 5.609 -21.400 -3.565 765 2HB ALA 108 2HB ALA 108 6.895 -22.145 -2.585 766 3HB ALA 108 3HB ALA 108 5.823 -23.167 -3.571 767 HA PRO 109 HA PRO 109 3.595 -25.878 -0.123 768 1HB PRO 109 2HB PRO 109 0.873 -25.842 0.124 769 2HB PRO 109 3HB PRO 109 1.957 -25.288 1.384 770 1HG PRO 109 2HG PRO 109 0.298 -23.690 -0.468 771 2HG PRO 109 3HG PRO 109 1.040 -23.200 1.042 772 1HD PRO 109 2HD PRO 109 1.954 -22.571 -1.603 773 2HD PRO 109 3HD PRO 109 2.758 -22.181 -0.095 774 H VAL 110 HN VAL 110 3.353 -27.874 -1.025 775 HA VAL 110 HA VAL 110 2.043 -27.768 -3.655 776 HB VAL 110 HB VAL 110 4.508 -27.906 -3.767 777 1HG1 VAL 110 1HG1 VAL 110 5.543 -30.137 -3.129 778 2HG1 VAL 110 2HG1 VAL 110 5.103 -29.065 -1.777 779 3HG1 VAL 110 3HG1 VAL 110 4.066 -30.453 -2.186 780 1HG2 VAL 110 1HG2 VAL 110 4.517 -30.136 -5.126 781 2HG2 VAL 110 2HG2 VAL 110 2.771 -30.149 -4.777 782 3HG2 VAL 110 3HG2 VAL 110 3.491 -28.785 -5.665 783 H ILE 111 HN ILE 111 0.591 -29.417 -4.141 784 HA ILE 111 HA ILE 111 0.078 -31.256 -1.910 785 HB ILE 111 HB ILE 111 -2.239 -31.342 -2.858 786 1HG1 ILE 111 2HG1 ILE 111 -2.054 -28.750 -4.180 787 2HG1 ILE 111 3HG1 ILE 111 -1.094 -29.964 -5.003 788 1HG2 ILE 111 1HG2 ILE 111 -2.807 -28.987 -1.989 789 2HG2 ILE 111 2HG2 ILE 111 -2.005 -30.125 -0.881 790 3HG2 ILE 111 3HG2 ILE 111 -1.063 -28.836 -1.668 791 1HD1 ILE 111 1HD1 ILE 111 -3.161 -30.351 -5.996 792 2HD1 ILE 111 2HD1 ILE 111 -3.274 -31.476 -4.621 793 3HD1 ILE 111 3HD1 ILE 111 -4.067 -29.885 -4.536 Start of MODEL 12 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.866 -0.967 -1.704 3 1HB ASP 8 2HB ASP 8 0.738 1.607 -1.724 4 2HB ASP 8 3HB ASP 8 2.404 1.900 -2.181 5 HA PRO 9 HA PRO 9 5.829 1.458 -0.584 6 1HB PRO 9 2HB PRO 9 5.816 3.183 1.535 7 2HB PRO 9 3HB PRO 9 5.570 3.698 -0.121 8 1HG PRO 9 2HG PRO 9 3.579 3.408 2.044 9 2HG PRO 9 3HG PRO 9 3.447 4.305 0.545 10 1HD PRO 9 2HD PRO 9 2.256 1.763 1.135 11 2HD PRO 9 3HD PRO 9 2.221 2.605 -0.401 12 H ALA 10 HN ALA 10 7.250 1.925 1.777 13 HA ALA 10 HA ALA 10 7.264 -0.800 2.728 14 1HB ALA 10 1HB ALA 10 9.278 0.767 2.121 15 2HB ALA 10 2HB ALA 10 9.017 1.436 3.750 16 3HB ALA 10 3HB ALA 10 9.397 -0.291 3.548 17 H VAL 11 HN VAL 11 4.820 0.218 3.387 18 HA VAL 11 HA VAL 11 4.857 1.532 5.911 19 HB VAL 11 HB VAL 11 2.648 0.044 4.477 20 1HG1 VAL 11 1HG1 VAL 11 1.395 0.473 6.270 21 2HG1 VAL 11 2HG1 VAL 11 2.763 1.285 7.067 22 3HG1 VAL 11 3HG1 VAL 11 1.664 2.214 6.020 23 1HG2 VAL 11 1HG2 VAL 11 2.033 2.586 4.001 24 2HG2 VAL 11 2HG2 VAL 11 3.795 2.789 4.152 25 3HG2 VAL 11 3HG2 VAL 11 3.128 1.674 2.935 26 H ASP 12 HN ASP 12 4.826 -1.832 4.738 27 HA ASP 12 HA ASP 12 4.044 -2.937 7.190 28 1HB ASP 12 2HB ASP 12 4.579 -3.844 4.571 29 2HB ASP 12 3HB ASP 12 5.800 -4.638 5.546 30 H ARG 13 HN ARG 13 7.136 -2.001 5.634 31 HA ARG 13 HA ARG 13 8.867 -3.401 7.218 32 1HB ARG 13 2HB ARG 13 9.221 -1.795 5.121 33 2HB ARG 13 3HB ARG 13 9.501 -0.566 6.338 34 1HG ARG 13 2HG ARG 13 11.004 -2.845 7.174 35 2HG ARG 13 3HG ARG 13 11.279 -2.698 5.449 36 1HD ARG 13 2HD ARG 13 11.418 -0.182 7.113 37 2HD ARG 13 3HD ARG 13 12.748 -1.316 7.234 38 HE ARG 13 HE ARG 13 12.294 -1.027 4.481 39 1HH1 ARG 13 2HH2 ARG 13 13.116 1.110 7.153 40 2HH1 ARG 13 1HH2 ARG 13 13.985 2.230 6.157 41 1HH2 ARG 13 2HH1 ARG 13 13.440 0.449 3.167 42 2HH2 ARG 13 1HH1 ARG 13 14.170 1.852 3.874 43 H SER 14 HN SER 14 7.130 -0.313 7.772 44 HA SER 14 HA SER 14 8.603 0.547 9.944 45 1HB SER 14 2HB SER 14 6.277 1.355 8.526 46 2HB SER 14 3HB SER 14 5.774 1.217 10.199 47 HG SER 14 HG SER 14 7.560 2.616 10.799 48 H LEU 15 HN LEU 15 5.966 -1.837 9.602 49 HA LEU 15 HA LEU 15 5.387 -2.015 12.367 50 1HB LEU 15 2HB LEU 15 4.783 -3.680 9.942 51 2HB LEU 15 3HB LEU 15 4.388 -4.262 11.548 52 HG LEU 15 HG LEU 15 2.663 -2.907 10.036 53 1HD1 LEU 15 1HD1 LEU 15 1.341 -2.560 11.960 54 2HD1 LEU 15 2HD1 LEU 15 2.368 -3.968 12.323 55 3HD1 LEU 15 3HD1 LEU 15 2.768 -2.375 13.008 56 1HD2 LEU 15 1HD2 LEU 15 4.126 -0.910 9.898 57 2HD2 LEU 15 2HD2 LEU 15 2.529 -0.567 10.604 58 3HD2 LEU 15 3HD2 LEU 15 3.957 -0.699 11.657 59 H ARG 16 HN ARG 16 8.057 -3.006 10.423 60 HA ARG 16 HA ARG 16 8.702 -5.108 12.307 61 1HB ARG 16 2HB ARG 16 9.809 -4.329 9.575 62 2HB ARG 16 3HB ARG 16 10.657 -5.465 10.605 63 1HG ARG 16 2HG ARG 16 9.081 -7.132 10.313 64 2HG ARG 16 3HG ARG 16 7.739 -6.007 10.253 65 1HD ARG 16 2HD ARG 16 8.011 -7.005 8.036 66 2HD ARG 16 3HD ARG 16 8.452 -5.312 7.937 67 HE ARG 16 HE ARG 16 10.700 -7.133 8.503 68 1HH1 ARG 16 2HH2 ARG 16 8.842 -5.452 6.032 69 2HH1 ARG 16 1HH2 ARG 16 10.100 -5.539 4.845 70 1HH2 ARG 16 2HH1 ARG 16 12.361 -7.248 6.937 71 2HH2 ARG 16 1HH1 ARG 16 12.115 -6.567 5.364 72 H SER 17 HN SER 17 10.491 -2.479 10.515 73 HA SER 17 HA SER 17 12.711 -2.318 11.895 74 1HB SER 17 2HB SER 17 11.024 0.129 11.208 75 2HB SER 17 3HB SER 17 12.762 0.111 11.428 76 HG SER 17 HG SER 17 12.342 0.006 9.197 77 H VAL 18 HN VAL 18 13.189 -2.346 14.058 78 HA VAL 18 HA VAL 18 11.290 -1.000 15.850 79 HB VAL 18 HB VAL 18 12.643 -2.581 17.506 80 1HG1 VAL 18 1HG1 VAL 18 10.202 -2.537 17.186 81 2HG1 VAL 18 2HG1 VAL 18 10.376 -3.547 15.730 82 3HG1 VAL 18 3HG1 VAL 18 10.816 -4.202 17.326 83 1HG2 VAL 18 1HG2 VAL 18 14.107 -3.442 15.673 84 2HG2 VAL 18 2HG2 VAL 18 13.207 -4.717 16.530 85 3HG2 VAL 18 3HG2 VAL 18 12.668 -4.175 14.922 86 H PHE 19 HN PHE 19 11.990 0.802 16.882 87 HA PHE 19 HA PHE 19 14.652 1.693 16.403 88 1HB PHE 19 2HB PHE 19 12.825 3.304 16.496 89 2HB PHE 19 3HB PHE 19 12.180 2.599 17.965 90 HD1 PHE 19 HD1 PHE 19 14.747 4.812 16.579 91 HD2 PHE 19 HD2 PHE 19 13.107 3.166 20.129 92 HE1 PHE 19 HE1 PHE 19 15.986 6.517 17.941 93 HE2 PHE 19 HE2 PHE 19 14.346 4.871 21.492 94 HZ PHE 19 HZ PHE 19 15.771 6.526 20.382 95 H VAL 20 HN VAL 20 16.440 1.517 17.691 96 HA VAL 20 HA VAL 20 15.984 0.421 20.380 97 HB VAL 20 HB VAL 20 18.549 0.155 18.847 98 1HG1 VAL 20 1HG1 VAL 20 18.895 -1.769 20.244 99 2HG1 VAL 20 2HG1 VAL 20 18.387 -0.420 21.287 100 3HG1 VAL 20 3HG1 VAL 20 17.224 -1.696 20.853 101 1HG2 VAL 20 1HG2 VAL 20 16.012 -1.429 18.436 102 2HG2 VAL 20 2HG2 VAL 20 17.113 -0.732 17.223 103 3HG2 VAL 20 3HG2 VAL 20 17.613 -2.158 18.164 104 H GLY 21 HN GLY 21 16.783 1.542 22.121 105 1HA GLY 21 1HA GLY 21 18.623 3.777 21.563 106 2HA GLY 21 2HA GLY 21 17.129 4.059 22.436 107 H ASN 22 HN ASN 22 19.040 4.800 23.991 108 HA ASN 22 HA ASN 22 19.998 4.529 25.917 109 1HB ASN 22 2HB ASN 22 17.789 3.047 26.259 110 2HB ASN 22 3HB ASN 22 18.924 1.712 26.271 111 1HD2 ASN 22 1HD2 ASN 22 18.665 1.184 28.382 112 2HD2 ASN 22 2HD2 ASN 22 19.194 2.159 29.713 113 H ILE 23 HN ILE 23 21.045 3.312 23.274 114 HA ILE 23 HA ILE 23 22.721 1.160 24.304 115 HB ILE 23 HB ILE 23 22.668 2.138 21.470 116 1HG1 ILE 23 2HG1 ILE 23 20.681 0.183 22.664 117 2HG1 ILE 23 3HG1 ILE 23 20.311 1.841 22.234 118 1HG2 ILE 23 1HG2 ILE 23 24.338 0.567 21.674 119 2HG2 ILE 23 2HG2 ILE 23 23.467 -0.364 22.917 120 3HG2 ILE 23 3HG2 ILE 23 22.953 -0.452 21.215 121 1HD1 ILE 23 1HD1 ILE 23 20.536 -0.509 20.506 122 2HD1 ILE 23 2HD1 ILE 23 19.845 1.092 20.146 123 3HD1 ILE 23 3HD1 ILE 23 21.590 0.809 19.941 124 HA PRO 24 HA PRO 24 25.808 4.214 24.846 125 1HB PRO 24 2HB PRO 24 27.569 2.653 26.235 126 2HB PRO 24 3HB PRO 24 26.260 3.532 26.998 127 1HG PRO 24 2HG PRO 24 26.470 0.637 26.441 128 2HG PRO 24 3HG PRO 24 25.400 1.466 27.554 129 1HD PRO 24 2HD PRO 24 24.708 0.395 24.985 130 2HD PRO 24 3HD PRO 24 23.669 1.325 26.048 131 H TYR 25 HN TYR 25 28.306 4.345 24.537 132 HA TYR 25 HA TYR 25 28.692 3.546 21.839 133 1HB TYR 25 2HB TYR 25 30.626 4.527 24.029 134 2HB TYR 25 3HB TYR 25 30.923 4.636 22.306 135 HD1 TYR 25 HD1 TYR 25 29.156 6.098 25.158 136 HD2 TYR 25 HD2 TYR 25 29.709 6.284 20.919 137 HE1 TYR 25 HE1 TYR 25 28.082 8.402 25.111 138 HE2 TYR 25 HE2 TYR 25 28.633 8.587 20.887 139 HH TYR 25 HH TYR 25 28.030 10.335 23.778 140 H GLU 26 HN GLU 26 28.783 1.747 24.671 141 HA GLU 26 HA GLU 26 31.123 0.244 23.912 142 1HB GLU 26 2HB GLU 26 29.299 0.311 26.316 143 2HB GLU 26 3HB GLU 26 30.262 -1.125 26.032 144 1HG GLU 26 2HG GLU 26 32.159 -0.096 26.743 145 2HG GLU 26 3HG GLU 26 31.904 1.262 25.665 146 H ALA 27 HN ALA 27 27.822 0.357 23.130 147 HA ALA 27 HA ALA 27 27.848 -2.503 22.439 148 1HB ALA 27 1HB ALA 27 25.204 -1.275 22.524 149 2HB ALA 27 2HB ALA 27 25.812 -2.715 23.375 150 3HB ALA 27 3HB ALA 27 26.049 -1.098 24.081 151 H THR 28 HN THR 28 28.586 -2.457 20.336 152 HA THR 28 HA THR 28 27.527 -0.409 18.553 153 HB THR 28 HB THR 28 29.371 -1.028 17.153 154 HG1 THR 28 HG1 THR 28 29.444 -3.417 18.860 155 1HG2 THR 28 1HG2 THR 28 31.283 -0.933 18.544 156 2HG2 THR 28 2HG2 THR 28 30.034 -0.257 19.616 157 3HG2 THR 28 3HG2 THR 28 30.538 -1.955 19.796 158 H GLU 29 HN GLU 29 27.079 -1.312 16.202 159 HA GLU 29 HA GLU 29 24.706 -2.681 16.412 160 1HB GLU 29 2HB GLU 29 26.465 -1.699 14.249 161 2HB GLU 29 3HB GLU 29 25.526 -3.102 13.780 162 1HG GLU 29 2HG GLU 29 23.526 -1.760 14.950 163 2HG GLU 29 3HG GLU 29 24.557 -0.375 14.652 164 H GLU 30 HN GLU 30 28.044 -3.827 16.098 165 HA GLU 30 HA GLU 30 27.515 -6.345 15.098 166 1HB GLU 30 2HB GLU 30 29.766 -4.923 15.825 167 2HB GLU 30 3HB GLU 30 29.726 -6.149 17.077 168 1HG GLU 30 2HG GLU 30 29.802 -7.946 15.477 169 2HG GLU 30 3HG GLU 30 29.397 -6.885 14.143 170 H GLN 31 HN GLN 31 27.250 -4.971 18.376 171 HA GLN 31 HA GLN 31 26.820 -7.595 19.481 172 1HB GLN 31 2HB GLN 31 26.940 -4.811 20.705 173 2HB GLN 31 3HB GLN 31 26.525 -6.232 21.642 174 1HG GLN 31 2HG GLN 31 28.820 -7.073 20.308 175 2HG GLN 31 3HG GLN 31 29.162 -5.376 20.582 176 1HE2 GLN 31 1HE2 GLN 31 29.712 -4.672 22.538 177 2HE2 GLN 31 2HE2 GLN 31 29.772 -5.625 23.983 178 H LEU 32 HN LEU 32 25.044 -4.506 18.879 179 HA LEU 32 HA LEU 32 22.650 -5.237 20.067 180 1HB LEU 32 2HB LEU 32 23.288 -3.385 17.774 181 2HB LEU 32 3HB LEU 32 21.684 -3.540 18.462 182 HG LEU 32 HG LEU 32 22.221 -1.942 19.905 183 1HD1 LEU 32 1HD1 LEU 32 22.570 -3.781 21.445 184 2HD1 LEU 32 2HD1 LEU 32 24.276 -3.908 20.952 185 3HD1 LEU 32 3HD1 LEU 32 23.703 -2.457 21.808 186 1HD2 LEU 32 1HD2 LEU 32 25.126 -1.848 19.832 187 2HD2 LEU 32 2HD2 LEU 32 24.418 -1.854 18.199 188 3HD2 LEU 32 3HD2 LEU 32 23.926 -0.614 19.377 189 H LYS 33 HN LYS 33 23.824 -5.691 16.671 190 HA LYS 33 HA LYS 33 21.484 -6.910 15.756 191 1HB LYS 33 2HB LYS 33 23.584 -5.929 14.516 192 2HB LYS 33 3HB LYS 33 24.195 -7.567 14.639 193 1HG LYS 33 2HG LYS 33 22.611 -8.425 13.182 194 2HG LYS 33 3HG LYS 33 21.360 -7.319 13.712 195 1HD LYS 33 2HD LYS 33 21.936 -6.683 11.454 196 2HD LYS 33 3HD LYS 33 22.593 -5.446 12.508 197 1HE LYS 33 2HE LYS 33 24.378 -7.782 11.858 198 2HE LYS 33 3HE LYS 33 24.070 -6.631 10.573 199 1HZ LYS 33 1HZ LYS 33 24.625 -5.296 12.983 200 2HZ LYS 33 2HZ LYS 33 25.829 -6.343 12.635 201 3HZ LYS 33 3HZ LYS 33 25.404 -5.197 11.551 202 H ASP 34 HN ASP 34 24.383 -8.158 17.452 203 HA ASP 34 HA ASP 34 23.845 -10.839 17.016 204 1HB ASP 34 2HB ASP 34 25.826 -9.367 18.263 205 2HB ASP 34 3HB ASP 34 25.034 -10.090 19.648 206 H ILE 35 HN ILE 35 22.840 -8.455 19.531 207 HA ILE 35 HA ILE 35 21.603 -10.346 21.226 208 HB ILE 35 HB ILE 35 21.194 -7.365 20.970 209 1HG1 ILE 35 2HG1 ILE 35 22.857 -8.535 23.139 210 2HG1 ILE 35 3HG1 ILE 35 23.551 -8.566 21.530 211 1HG2 ILE 35 1HG2 ILE 35 20.784 -8.751 23.556 212 2HG2 ILE 35 2HG2 ILE 35 19.912 -7.381 22.827 213 3HG2 ILE 35 3HG2 ILE 35 19.555 -9.044 22.301 214 1HD1 ILE 35 1HD1 ILE 35 22.335 -5.982 21.890 215 2HD1 ILE 35 2HD1 ILE 35 23.328 -6.331 23.325 216 3HD1 ILE 35 3HD1 ILE 35 24.062 -6.370 21.703 217 H PHE 36 HN PHE 36 20.424 -8.165 18.597 218 HA PHE 36 HA PHE 36 17.729 -8.908 18.897 219 1HB PHE 36 2HB PHE 36 19.560 -7.548 16.906 220 2HB PHE 36 3HB PHE 36 18.023 -8.102 16.271 221 HD1 PHE 36 HD1 PHE 36 16.603 -6.310 16.012 222 HD2 PHE 36 HD2 PHE 36 18.990 -6.512 19.514 223 HE1 PHE 36 HE1 PHE 36 15.494 -4.236 16.888 224 HE2 PHE 36 HE2 PHE 36 17.881 -4.438 20.390 225 HZ PHE 36 HZ PHE 36 16.146 -3.324 19.066 226 H SER 37 HN SER 37 20.507 -10.347 17.218 227 HA SER 37 HA SER 37 19.074 -11.862 15.393 228 1HB SER 37 2HB SER 37 21.122 -13.077 15.057 229 2HB SER 37 3HB SER 37 21.574 -11.420 15.407 230 HG SER 37 HG SER 37 22.106 -13.749 16.843 231 H GLU 38 HN GLU 38 19.998 -12.380 18.823 232 HA GLU 38 HA GLU 38 19.330 -15.079 18.904 233 1HB GLU 38 2HB GLU 38 19.846 -14.933 21.149 234 2HB GLU 38 3HB GLU 38 20.600 -13.448 20.605 235 1HG GLU 38 2HG GLU 38 18.239 -12.359 21.079 236 2HG GLU 38 3HG GLU 38 17.947 -13.798 22.035 237 H VAL 39 HN VAL 39 17.380 -12.310 18.456 238 HA VAL 39 HA VAL 39 15.047 -13.633 19.638 239 HB VAL 39 HB VAL 39 15.076 -10.839 18.554 240 1HG1 VAL 39 1HG1 VAL 39 12.957 -11.094 19.271 241 2HG1 VAL 39 2HG1 VAL 39 13.363 -12.509 20.272 242 3HG1 VAL 39 3HG1 VAL 39 13.643 -10.866 20.898 243 1HG2 VAL 39 1HG2 VAL 39 17.011 -10.723 19.904 244 2HG2 VAL 39 2HG2 VAL 39 15.691 -10.110 20.928 245 3HG2 VAL 39 3HG2 VAL 39 16.301 -11.766 21.160 246 H GLY 40 HN GLY 40 16.720 -13.867 16.884 247 1HA GLY 40 1HA GLY 40 15.245 -15.140 15.236 248 2HA GLY 40 2HA GLY 40 14.388 -13.618 15.095 249 HA PRO 41 HA PRO 41 17.920 -13.597 12.173 250 1HB PRO 41 2HB PRO 41 16.536 -13.594 9.817 251 2HB PRO 41 3HB PRO 41 17.192 -15.049 10.541 252 1HG PRO 41 2HG PRO 41 14.384 -14.131 10.446 253 2HG PRO 41 3HG PRO 41 15.003 -15.738 10.772 254 1HD PRO 41 2HD PRO 41 13.987 -13.867 12.695 255 2HD PRO 41 3HD PRO 41 14.713 -15.426 13.031 256 H VAL 42 HN VAL 42 18.923 -11.701 12.021 257 HA VAL 42 HA VAL 42 17.172 -9.391 11.902 258 HB VAL 42 HB VAL 42 20.169 -9.629 12.241 259 1HG1 VAL 42 1HG1 VAL 42 20.110 -7.429 11.772 260 2HG1 VAL 42 2HG1 VAL 42 18.341 -7.339 11.956 261 3HG1 VAL 42 3HG1 VAL 42 19.391 -7.253 13.391 262 1HG2 VAL 42 1HG2 VAL 42 18.957 -8.747 14.630 263 2HG2 VAL 42 2HG2 VAL 42 17.991 -10.135 14.075 264 3HG2 VAL 42 3HG2 VAL 42 19.745 -10.313 14.322 265 H VAL 43 HN VAL 43 16.688 -8.363 10.034 266 HA VAL 43 HA VAL 43 17.984 -9.236 7.624 267 HB VAL 43 HB VAL 43 15.664 -7.500 8.370 268 1HG1 VAL 43 1HG1 VAL 43 15.453 -7.194 5.764 269 2HG1 VAL 43 2HG1 VAL 43 16.435 -6.066 6.729 270 3HG1 VAL 43 3HG1 VAL 43 17.225 -7.367 5.806 271 1HG2 VAL 43 1HG2 VAL 43 15.827 -9.699 6.298 272 2HG2 VAL 43 2HG2 VAL 43 15.577 -10.036 8.028 273 3HG2 VAL 43 3HG2 VAL 43 14.390 -9.058 7.130 274 H SER 44 HN SER 44 17.326 -5.923 8.975 275 HA SER 44 HA SER 44 20.058 -5.266 8.238 276 1HB SER 44 2HB SER 44 17.823 -4.414 6.772 277 2HB SER 44 3HB SER 44 18.177 -3.042 7.803 278 HG SER 44 HG SER 44 19.861 -4.300 5.839 279 H PHE 45 HN PHE 45 20.607 -2.951 9.223 280 HA PHE 45 HA PHE 45 19.076 -2.068 11.411 281 1HB PHE 45 2HB PHE 45 20.242 -4.380 12.071 282 2HB PHE 45 3HB PHE 45 21.720 -3.440 12.114 283 HD1 PHE 45 HD1 PHE 45 20.083 -0.904 13.155 284 HD2 PHE 45 HD2 PHE 45 20.513 -4.925 14.442 285 HE1 PHE 45 HE1 PHE 45 19.569 -0.205 15.510 286 HE2 PHE 45 HE2 PHE 45 20.000 -4.226 16.797 287 HZ PHE 45 HZ PHE 45 19.534 -1.874 17.303 288 H ARG 46 HN ARG 46 19.478 0.083 11.225 289 HA ARG 46 HA ARG 46 22.276 0.822 10.956 290 1HB ARG 46 2HB ARG 46 19.874 1.883 9.413 291 2HB ARG 46 3HB ARG 46 21.319 2.857 9.595 292 1HG ARG 46 2HG ARG 46 21.515 -0.003 8.590 293 2HG ARG 46 3HG ARG 46 21.089 1.293 7.490 294 1HD ARG 46 2HD ARG 46 23.257 2.437 8.706 295 2HD ARG 46 3HD ARG 46 23.698 0.749 8.866 296 HE ARG 46 HE ARG 46 24.193 0.757 6.593 297 1HH1 ARG 46 2HH2 ARG 46 21.714 3.182 7.191 298 2HH1 ARG 46 1HH2 ARG 46 21.649 3.707 5.541 299 1HH2 ARG 46 2HH1 ARG 46 24.108 1.449 4.417 300 2HH2 ARG 46 1HH1 ARG 46 23.020 2.714 3.953 301 H LEU 47 HN LEU 47 22.930 2.496 12.347 302 HA LEU 47 HA LEU 47 20.787 3.651 13.988 303 1HB LEU 47 2HB LEU 47 23.372 3.914 15.180 304 2HB LEU 47 3HB LEU 47 21.937 3.110 15.784 305 HG LEU 47 HG LEU 47 22.709 1.162 14.180 306 1HD1 LEU 47 1HD1 LEU 47 25.439 1.417 14.672 307 2HD1 LEU 47 2HD1 LEU 47 24.614 1.547 13.101 308 3HD1 LEU 47 3HD1 LEU 47 24.945 3.012 14.056 309 1HD2 LEU 47 1HD2 LEU 47 23.087 0.098 16.097 310 2HD2 LEU 47 2HD2 LEU 47 24.502 1.111 16.471 311 3HD2 LEU 47 3HD2 LEU 47 22.869 1.668 16.908 312 H VAL 48 HN VAL 48 21.430 5.893 14.909 313 HA VAL 48 HA VAL 48 22.196 7.489 12.621 314 HB VAL 48 HB VAL 48 21.556 9.349 14.254 315 1HG1 VAL 48 1HG1 VAL 48 19.056 8.707 14.033 316 2HG1 VAL 48 2HG1 VAL 48 20.021 8.891 12.549 317 3HG1 VAL 48 3HG1 VAL 48 19.657 7.266 13.177 318 1HG2 VAL 48 1HG2 VAL 48 19.930 7.447 15.816 319 2HG2 VAL 48 2HG2 VAL 48 21.677 7.372 16.146 320 3HG2 VAL 48 3HG2 VAL 48 20.801 8.911 16.332 321 H TYR 49 HN TYR 49 24.231 8.210 12.283 322 HA TYR 49 HA TYR 49 25.976 8.395 14.645 323 1HB TYR 49 2HB TYR 49 26.117 7.007 12.008 324 2HB TYR 49 3HB TYR 49 27.514 8.031 12.274 325 HD1 TYR 49 HD1 TYR 49 29.124 7.533 14.054 326 HD2 TYR 49 HD2 TYR 49 25.714 5.032 13.400 327 HE1 TYR 49 HE1 TYR 49 30.173 5.715 15.488 328 HE2 TYR 49 HE2 TYR 49 26.775 3.223 14.837 329 HH TYR 49 HH TYR 49 29.838 3.813 16.508 330 H ASP 50 HN ASP 50 26.600 10.453 15.046 331 HA ASP 50 HA ASP 50 26.059 12.477 13.193 332 1HB ASP 50 2HB ASP 50 27.769 12.428 15.722 333 2HB ASP 50 3HB ASP 50 27.401 13.897 14.841 334 H ARG 51 HN ARG 51 27.290 12.688 11.309 335 HA ARG 51 HA ARG 51 29.902 11.661 11.187 336 1HB ARG 51 2HB ARG 51 28.187 13.337 9.307 337 2HB ARG 51 3HB ARG 51 29.845 12.947 8.897 338 1HG ARG 51 2HG ARG 51 29.329 10.507 9.146 339 2HG ARG 51 3HG ARG 51 27.669 10.901 9.548 340 1HD ARG 51 2HD ARG 51 28.224 12.303 7.124 341 2HD ARG 51 3HD ARG 51 28.919 10.708 6.916 342 HE ARG 51 HE ARG 51 26.411 10.203 8.018 343 1HH1 ARG 51 2HH2 ARG 51 27.572 11.934 5.183 344 2HH1 ARG 51 1HH2 ARG 51 26.143 11.630 4.254 345 1HH2 ARG 51 2HH1 ARG 51 24.525 9.801 6.793 346 2HH2 ARG 51 1HH1 ARG 51 24.397 10.409 5.176 347 H GLU 52 HN GLU 52 28.428 14.818 11.865 348 HA GLU 52 HA GLU 52 30.734 16.332 11.328 349 1HB GLU 52 2HB GLU 52 28.060 16.785 12.587 350 2HB GLU 52 3HB GLU 52 29.324 17.902 13.062 351 1HG GLU 52 2HG GLU 52 28.806 17.250 10.133 352 2HG GLU 52 3HG GLU 52 27.900 18.501 10.963 353 H THR 53 HN THR 53 29.500 14.509 14.121 354 HA THR 53 HA THR 53 31.758 15.509 15.722 355 HB THR 53 HB THR 53 29.019 14.341 16.404 356 HG1 THR 53 HG1 THR 53 30.541 16.718 17.198 357 1HG2 THR 53 1HG2 THR 53 31.268 15.111 18.335 358 2HG2 THR 53 2HG2 THR 53 29.646 14.522 18.771 359 3HG2 THR 53 3HG2 THR 53 30.807 13.429 17.979 360 H GLY 54 HN GLY 54 30.920 13.011 13.659 361 1HA GLY 54 1HA GLY 54 31.725 10.939 13.328 362 2HA GLY 54 2HA GLY 54 33.146 11.468 14.206 363 H LYS 55 HN LYS 55 30.140 11.704 15.974 364 HA LYS 55 HA LYS 55 30.816 9.205 17.366 365 1HB LYS 55 2HB LYS 55 29.802 11.819 18.520 366 2HB LYS 55 3HB LYS 55 29.929 10.321 19.419 367 1HG LYS 55 2HG LYS 55 32.297 10.299 19.320 368 2HG LYS 55 3HG LYS 55 32.351 11.352 17.920 369 1HD LYS 55 2HD LYS 55 32.440 13.208 19.226 370 2HD LYS 55 3HD LYS 55 31.010 12.722 20.115 371 1HE LYS 55 2HE LYS 55 32.442 12.504 21.887 372 2HE LYS 55 3HE LYS 55 32.857 10.966 21.158 373 1HZ LYS 55 1HZ LYS 55 34.265 13.178 20.036 374 2HZ LYS 55 2HZ LYS 55 34.581 12.948 21.622 375 3HZ LYS 55 3HZ LYS 55 34.833 11.738 20.555 376 HA PRO 56 HA PRO 56 26.768 8.019 16.439 377 1HB PRO 56 2HB PRO 56 26.421 5.986 18.232 378 2HB PRO 56 3HB PRO 56 27.286 5.793 16.720 379 1HG PRO 56 2HG PRO 56 28.370 6.002 19.462 380 2HG PRO 56 3HG PRO 56 29.152 5.395 18.016 381 1HD PRO 56 2HD PRO 56 29.577 7.948 19.253 382 2HD PRO 56 3HD PRO 56 30.269 7.386 17.744 383 H LYS 57 HN LYS 57 24.685 8.604 16.803 384 HA LYS 57 HA LYS 57 24.238 10.444 18.807 385 1HB LYS 57 2HB LYS 57 22.742 9.137 16.712 386 2HB LYS 57 3HB LYS 57 21.758 9.246 18.157 387 1HG LYS 57 2HG LYS 57 23.262 11.576 16.873 388 2HG LYS 57 3HG LYS 57 21.542 11.279 16.718 389 1HD LYS 57 2HD LYS 57 21.903 11.216 19.483 390 2HD LYS 57 3HD LYS 57 23.057 12.439 18.988 391 1HE LYS 57 2HE LYS 57 21.408 13.886 18.191 392 2HE LYS 57 3HE LYS 57 20.319 12.585 17.751 393 1HZ LYS 57 1HZ LYS 57 20.165 12.213 20.242 394 2HZ LYS 57 2HZ LYS 57 20.807 13.706 20.402 395 3HZ LYS 57 3HZ LYS 57 19.386 13.508 19.622 396 H GLY 58 HN GLY 58 23.179 6.966 18.690 397 1HA GLY 58 1HA GLY 58 23.857 5.883 20.919 398 2HA GLY 58 2HA GLY 58 22.792 7.092 21.607 399 H TYR 59 HN TYR 59 21.194 6.836 18.868 400 HA TYR 59 HA TYR 59 19.814 4.341 19.596 401 1HB TYR 59 2HB TYR 59 17.733 5.683 18.943 402 2HB TYR 59 3HB TYR 59 18.550 6.352 20.341 403 HD1 TYR 59 HD1 TYR 59 17.615 6.895 16.856 404 HD2 TYR 59 HD2 TYR 59 19.889 8.439 20.135 405 HE1 TYR 59 HE1 TYR 59 17.783 9.147 15.688 406 HE2 TYR 59 HE2 TYR 59 20.049 10.686 18.956 407 HH TYR 59 HH TYR 59 18.424 11.869 17.112 408 H GLY 60 HN GLY 60 18.597 3.328 17.812 409 1HA GLY 60 1HA GLY 60 19.125 4.276 15.125 410 2HA GLY 60 2HA GLY 60 19.981 2.813 15.570 411 H PHE 61 HN PHE 61 18.523 2.048 13.667 412 HA PHE 61 HA PHE 61 16.061 1.006 14.862 413 1HB PHE 61 2HB PHE 61 16.567 2.109 12.032 414 2HB PHE 61 3HB PHE 61 15.071 1.340 12.524 415 HD1 PHE 61 HD1 PHE 61 17.070 4.372 12.676 416 HD2 PHE 61 HD2 PHE 61 13.551 2.473 14.095 417 HE1 PHE 61 HE1 PHE 61 16.179 6.592 13.438 418 HE2 PHE 61 HE2 PHE 61 12.660 4.692 14.857 419 HZ PHE 61 HZ PHE 61 13.984 6.725 14.520 420 H CYS 62 HN CYS 62 15.627 -1.157 14.424 421 HA CYS 62 HA CYS 62 17.581 -2.461 12.671 422 1HB CYS 62 2HB CYS 62 17.909 -2.991 15.083 423 2HB CYS 62 3HB CYS 62 16.281 -3.636 15.150 424 HG CYS 62 HG CYS 62 18.323 -5.464 14.962 425 H GLU 63 HN GLU 63 16.629 -3.336 10.864 426 HA GLU 63 HA GLU 63 13.751 -3.695 10.973 427 1HB GLU 63 2HB GLU 63 14.415 -2.269 9.161 428 2HB GLU 63 3HB GLU 63 15.720 -3.338 8.687 429 1HG GLU 63 2HG GLU 63 13.249 -4.848 8.653 430 2HG GLU 63 3HG GLU 63 12.992 -3.354 7.774 431 H TYR 64 HN TYR 64 12.879 -5.724 11.076 432 HA TYR 64 HA TYR 64 14.718 -7.965 10.706 433 1HB TYR 64 2HB TYR 64 12.042 -7.362 12.060 434 2HB TYR 64 3HB TYR 64 12.455 -9.033 11.730 435 HD1 TYR 64 HD1 TYR 64 13.199 -6.093 13.784 436 HD2 TYR 64 HD2 TYR 64 14.331 -10.124 12.904 437 HE1 TYR 64 HE1 TYR 64 14.547 -6.192 15.938 438 HE2 TYR 64 HE2 TYR 64 15.675 -10.209 15.061 439 HH TYR 64 HH TYR 64 16.382 -9.116 16.782 440 H GLN 65 HN GLN 65 12.983 -10.036 10.143 441 HA GLN 65 HA GLN 65 12.185 -9.295 7.452 442 1HB GLN 65 2HB GLN 65 12.500 -11.583 6.844 443 2HB GLN 65 3HB GLN 65 13.853 -11.187 7.886 444 1HG GLN 65 2HG GLN 65 12.613 -12.181 9.839 445 2HG GLN 65 3HG GLN 65 11.299 -12.618 8.764 446 1HE2 GLN 65 1HE2 GLN 65 11.583 -14.792 9.283 447 2HE2 GLN 65 2HE2 GLN 65 12.859 -15.755 8.617 448 H ASP 66 HN ASP 66 11.050 -10.944 10.452 449 HA ASP 66 HA ASP 66 8.402 -11.064 9.279 450 1HB ASP 66 2HB ASP 66 8.953 -12.096 12.044 451 2HB ASP 66 3HB ASP 66 7.924 -12.770 10.796 452 H GLN 67 HN GLN 67 6.640 -9.899 10.256 453 HA GLN 67 HA GLN 67 7.343 -7.590 11.638 454 1HB GLN 67 2HB GLN 67 5.165 -8.418 10.191 455 2HB GLN 67 3HB GLN 67 4.512 -8.515 11.815 456 1HG GLN 67 2HG GLN 67 4.498 -6.239 12.085 457 2HG GLN 67 3HG GLN 67 6.073 -6.041 11.344 458 1HE2 GLN 67 1HE2 GLN 67 6.237 -6.152 9.018 459 2HE2 GLN 67 2HE2 GLN 67 4.928 -5.615 8.020 460 H GLU 68 HN GLU 68 5.753 -10.673 12.682 461 HA GLU 68 HA GLU 68 5.323 -9.885 15.295 462 1HB GLU 68 2HB GLU 68 4.187 -11.821 14.420 463 2HB GLU 68 3HB GLU 68 5.694 -12.614 14.005 464 1HG GLU 68 2HG GLU 68 6.036 -13.377 16.142 465 2HG GLU 68 3HG GLU 68 5.509 -11.873 16.872 466 H THR 69 HN THR 69 8.178 -11.279 13.641 467 HA THR 69 HA THR 69 9.624 -11.866 16.002 468 HB THR 69 HB THR 69 10.499 -11.331 13.114 469 HG1 THR 69 HG1 THR 69 10.303 -13.713 13.137 470 1HG2 THR 69 1HG2 THR 69 12.584 -12.188 13.650 471 2HG2 THR 69 2HG2 THR 69 12.199 -11.559 15.270 472 3HG2 THR 69 3HG2 THR 69 11.920 -13.276 14.892 473 H ALA 70 HN ALA 70 9.419 -8.976 13.870 474 HA ALA 70 HA ALA 70 11.490 -7.597 15.207 475 1HB ALA 70 1HB ALA 70 9.846 -7.267 12.932 476 2HB ALA 70 2HB ALA 70 9.505 -5.869 13.979 477 3HB ALA 70 3HB ALA 70 11.175 -6.210 13.466 478 H LEU 71 HN LEU 71 7.923 -7.829 15.602 479 HA LEU 71 HA LEU 71 7.792 -5.769 17.539 480 1HB LEU 71 2HB LEU 71 5.985 -7.802 16.372 481 2HB LEU 71 3HB LEU 71 5.571 -7.235 17.978 482 HG LEU 71 HG LEU 71 6.217 -5.053 16.123 483 1HD1 LEU 71 1HD1 LEU 71 3.562 -6.221 15.511 484 2HD1 LEU 71 2HD1 LEU 71 4.699 -5.327 14.474 485 3HD1 LEU 71 3HD1 LEU 71 4.974 -7.052 14.815 486 1HD2 LEU 71 1HD2 LEU 71 3.568 -5.332 17.451 487 2HD2 LEU 71 2HD2 LEU 71 5.002 -5.193 18.496 488 3HD2 LEU 71 3HD2 LEU 71 4.643 -3.921 17.304 489 H SER 72 HN SER 72 8.191 -9.341 17.630 490 HA SER 72 HA SER 72 7.924 -9.514 20.405 491 1HB SER 72 2HB SER 72 8.588 -11.783 20.152 492 2HB SER 72 3HB SER 72 7.762 -11.392 18.656 493 HG SER 72 HG SER 72 10.209 -12.384 18.893 494 H ALA 73 HN ALA 73 10.676 -8.951 18.172 495 HA ALA 73 HA ALA 73 12.703 -9.293 20.099 496 1HB ALA 73 1HB ALA 73 13.772 -7.612 18.222 497 2HB ALA 73 2HB ALA 73 13.639 -9.376 18.028 498 3HB ALA 73 3HB ALA 73 12.407 -8.308 17.316 499 H MET 74 HN MET 74 10.653 -6.541 19.056 500 HA MET 74 HA MET 74 12.138 -4.593 20.390 501 1HB MET 74 2HB MET 74 10.636 -3.387 19.141 502 2HB MET 74 3HB MET 74 9.686 -4.831 18.849 503 1HG MET 74 2HG MET 74 8.420 -4.505 20.922 504 2HG MET 74 3HG MET 74 9.477 -3.200 21.423 505 1HE MET 74 1HE MET 74 7.030 -4.570 18.970 506 2HE MET 74 2HE MET 74 6.298 -3.172 18.148 507 3HE MET 74 3HE MET 74 7.899 -3.764 17.643 508 H ARG 75 HN ARG 75 9.231 -6.538 21.326 509 HA ARG 75 HA ARG 75 9.070 -5.259 23.838 510 1HB ARG 75 2HB ARG 75 7.060 -6.212 22.772 511 2HB ARG 75 3HB ARG 75 7.783 -7.808 22.741 512 1HG ARG 75 2HG ARG 75 7.770 -6.621 25.450 513 2HG ARG 75 3HG ARG 75 6.159 -6.783 24.779 514 1HD ARG 75 2HD ARG 75 6.196 -9.068 24.930 515 2HD ARG 75 3HD ARG 75 7.824 -9.177 24.289 516 HE ARG 75 HE ARG 75 8.306 -8.177 26.785 517 1HH1 ARG 75 2HH2 ARG 75 6.304 -10.858 25.696 518 2HH1 ARG 75 1HH2 ARG 75 6.497 -11.764 27.160 519 1HH2 ARG 75 2HH1 ARG 75 8.561 -9.372 28.717 520 2HH2 ARG 75 1HH1 ARG 75 7.789 -10.913 28.889 521 H ASN 76 HN ASN 76 10.757 -8.041 22.464 522 HA ASN 76 HA ASN 76 11.160 -9.347 24.936 523 1HB ASN 76 2HB ASN 76 12.322 -9.599 22.136 524 2HB ASN 76 3HB ASN 76 13.058 -10.485 23.457 525 1HD2 ASN 76 1HD2 ASN 76 11.558 -11.351 21.061 526 2HD2 ASN 76 2HD2 ASN 76 10.268 -12.362 21.620 527 H LEU 77 HN LEU 77 12.864 -6.958 22.869 528 HA LEU 77 HA LEU 77 15.232 -7.042 24.527 529 1HB LEU 77 2HB LEU 77 14.441 -5.547 22.037 530 2HB LEU 77 3HB LEU 77 15.897 -5.155 22.930 531 HG LEU 77 HG LEU 77 15.705 -8.015 22.368 532 1HD1 LEU 77 1HD1 LEU 77 14.844 -7.909 20.307 533 2HD1 LEU 77 2HD1 LEU 77 15.054 -6.144 20.204 534 3HD1 LEU 77 3HD1 LEU 77 16.419 -7.226 19.837 535 1HD2 LEU 77 1HD2 LEU 77 17.686 -6.365 23.033 536 2HD2 LEU 77 2HD2 LEU 77 17.956 -7.851 22.090 537 3HD2 LEU 77 3HD2 LEU 77 17.859 -6.277 21.264 538 H ASN 78 HN ASN 78 12.394 -4.935 23.866 539 HA ASN 78 HA ASN 78 13.189 -2.724 25.216 540 1HB ASN 78 2HB ASN 78 11.093 -2.722 23.988 541 2HB ASN 78 3HB ASN 78 10.449 -4.046 24.939 542 1HD2 ASN 78 1HD2 ASN 78 10.872 -0.676 24.645 543 2HD2 ASN 78 2HD2 ASN 78 10.106 -0.164 26.112 544 H GLY 79 HN GLY 79 14.380 -3.266 27.164 545 1HA GLY 79 1HA GLY 79 13.926 -3.116 29.541 546 2HA GLY 79 2HA GLY 79 12.708 -4.361 29.346 547 H ARG 80 HN ARG 80 15.682 -4.601 27.449 548 HA ARG 80 HA ARG 80 16.415 -6.840 29.146 549 1HB ARG 80 2HB ARG 80 15.967 -7.415 26.778 550 2HB ARG 80 3HB ARG 80 17.114 -6.206 26.235 551 1HG ARG 80 2HG ARG 80 18.485 -8.079 26.156 552 2HG ARG 80 3HG ARG 80 18.808 -7.567 27.801 553 1HD ARG 80 2HD ARG 80 17.203 -9.183 28.698 554 2HD ARG 80 3HD ARG 80 16.621 -9.578 27.093 555 HE ARG 80 HE ARG 80 19.346 -10.115 26.950 556 1HH1 ARG 80 2HH2 ARG 80 16.732 -11.163 29.061 557 2HH1 ARG 80 1HH2 ARG 80 17.446 -12.706 29.392 558 1HH2 ARG 80 2HH1 ARG 80 20.288 -12.151 27.386 559 2HH2 ARG 80 1HH1 ARG 80 19.483 -13.271 28.433 560 H GLU 81 HN GLU 81 18.220 -6.594 30.431 561 HA GLU 81 HA GLU 81 19.740 -4.239 30.228 562 1HB GLU 81 2HB GLU 81 20.413 -6.736 31.838 563 2HB GLU 81 3HB GLU 81 20.955 -5.100 32.154 564 1HG GLU 81 2HG GLU 81 18.980 -4.496 33.158 565 2HG GLU 81 3HG GLU 81 18.001 -5.353 31.983 566 H PHE 82 HN PHE 82 21.850 -3.897 29.445 567 HA PHE 82 HA PHE 82 23.533 -6.024 28.688 568 1HB PHE 82 2HB PHE 82 21.654 -5.986 26.891 569 2HB PHE 82 3HB PHE 82 22.193 -4.373 26.467 570 HD1 PHE 82 HD1 PHE 82 24.349 -4.034 25.351 571 HD2 PHE 82 HD2 PHE 82 22.940 -7.932 26.262 572 HE1 PHE 82 HE1 PHE 82 26.033 -5.012 23.768 573 HE2 PHE 82 HE2 PHE 82 24.624 -8.910 24.679 574 HZ PHE 82 HZ PHE 82 26.150 -7.439 23.450 575 H SER 83 HN SER 83 25.625 -5.263 27.986 576 HA SER 83 HA SER 83 27.302 -3.885 28.085 577 1HB SER 83 2HB SER 83 25.317 -2.599 26.361 578 2HB SER 83 3HB SER 83 26.346 -1.401 27.120 579 HG SER 83 HG SER 83 26.994 -3.413 25.232 580 H GLY 84 HN GLY 84 25.231 -3.909 30.348 581 1HA GLY 84 1HA GLY 84 25.270 -2.991 32.427 582 2HA GLY 84 2HA GLY 84 26.413 -1.779 31.882 583 H ARG 85 HN ARG 85 23.613 -2.154 29.833 584 HA ARG 85 HA ARG 85 22.170 -0.131 31.288 585 1HB ARG 85 2HB ARG 85 23.502 0.261 28.614 586 2HB ARG 85 3HB ARG 85 21.905 0.955 28.808 587 1HG ARG 85 2HG ARG 85 22.919 1.868 31.108 588 2HG ARG 85 3HG ARG 85 24.452 1.613 30.298 589 1HD ARG 85 2HD ARG 85 23.328 2.936 28.296 590 2HD ARG 85 3HD ARG 85 22.194 3.484 29.514 591 HE ARG 85 HE ARG 85 25.023 3.773 30.278 592 1HH1 ARG 85 2HH2 ARG 85 22.235 5.302 28.771 593 2HH1 ARG 85 1HH2 ARG 85 22.828 6.912 29.011 594 1HH2 ARG 85 2HH1 ARG 85 25.806 5.896 30.594 595 2HH2 ARG 85 1HH1 ARG 85 24.873 7.252 30.054 596 H ALA 86 HN ALA 86 19.890 0.056 30.539 597 HA ALA 86 HA ALA 86 18.886 -2.460 29.674 598 1HB ALA 86 1HB ALA 86 17.686 -1.148 31.320 599 2HB ALA 86 2HB ALA 86 17.596 0.243 30.213 600 3HB ALA 86 3HB ALA 86 16.688 -1.244 29.850 601 H LEU 87 HN LEU 87 17.683 -2.918 27.733 602 HA LEU 87 HA LEU 87 18.450 -1.131 25.534 603 1HB LEU 87 2HB LEU 87 18.391 -4.063 25.871 604 2HB LEU 87 3HB LEU 87 17.772 -3.472 24.341 605 HG LEU 87 HG LEU 87 20.355 -4.066 24.777 606 1HD1 LEU 87 1HD1 LEU 87 20.727 -2.185 22.899 607 2HD1 LEU 87 2HD1 LEU 87 19.912 -3.736 22.583 608 3HD1 LEU 87 3HD1 LEU 87 18.949 -2.268 22.878 609 1HD2 LEU 87 1HD2 LEU 87 20.421 -1.070 25.072 610 2HD2 LEU 87 2HD2 LEU 87 20.391 -2.141 26.494 611 3HD2 LEU 87 3HD2 LEU 87 21.722 -2.260 25.317 612 H ARG 88 HN ARG 88 16.751 0.289 25.346 613 HA ARG 88 HA ARG 88 14.099 -0.767 25.593 614 1HB ARG 88 2HB ARG 88 15.380 1.930 25.540 615 2HB ARG 88 3HB ARG 88 13.795 1.870 24.796 616 1HG ARG 88 2HG ARG 88 12.943 0.697 26.903 617 2HG ARG 88 3HG ARG 88 14.505 1.004 27.635 618 1HD ARG 88 2HD ARG 88 13.326 2.887 28.364 619 2HD ARG 88 3HD ARG 88 14.046 3.521 26.897 620 HE ARG 88 HE ARG 88 11.522 2.297 26.261 621 1HH1 ARG 88 2HH2 ARG 88 12.860 5.145 27.837 622 2HH1 ARG 88 1HH2 ARG 88 11.474 6.133 27.511 623 1HH2 ARG 88 2HH1 ARG 88 9.694 3.600 25.831 624 2HH2 ARG 88 1HH1 ARG 88 9.662 5.248 26.363 625 H VAL 89 HN VAL 89 12.887 -1.451 23.847 626 HA VAL 89 HA VAL 89 13.675 -0.428 21.209 627 HB VAL 89 HB VAL 89 12.704 -3.229 21.763 628 1HG1 VAL 89 1HG1 VAL 89 14.073 -1.941 19.377 629 2HG1 VAL 89 2HG1 VAL 89 13.688 -3.673 19.526 630 3HG1 VAL 89 3HG1 VAL 89 12.376 -2.471 19.478 631 1HG2 VAL 89 1HG2 VAL 89 15.309 -3.610 21.157 632 2HG2 VAL 89 2HG2 VAL 89 15.427 -2.072 22.045 633 3HG2 VAL 89 3HG2 VAL 89 14.694 -3.495 22.824 634 H ASP 90 HN ASP 90 12.032 0.492 20.073 635 HA ASP 90 HA ASP 90 9.342 -0.292 20.827 636 1HB ASP 90 2HB ASP 90 9.341 2.509 20.151 637 2HB ASP 90 3HB ASP 90 8.833 1.756 21.649 638 H ASN 91 HN ASN 91 7.815 -0.058 19.026 639 HA ASN 91 HA ASN 91 8.652 -0.663 16.597 640 1HB ASN 91 2HB ASN 91 6.209 0.080 17.736 641 2HB ASN 91 3HB ASN 91 6.418 1.305 16.500 642 1HD2 ASN 91 1HD2 ASN 91 6.066 0.839 14.435 643 2HD2 ASN 91 2HD2 ASN 91 5.697 -0.726 13.790 644 H ALA 92 HN ALA 92 9.708 0.394 14.883 645 HA ALA 92 HA ALA 92 10.712 3.008 15.315 646 1HB ALA 92 1HB ALA 92 11.874 1.148 14.092 647 2HB ALA 92 2HB ALA 92 10.688 1.328 12.777 648 3HB ALA 92 3HB ALA 92 11.793 2.667 13.167 649 H ALA 93 HN ALA 93 7.659 1.871 14.375 650 HA ALA 93 HA ALA 93 7.163 4.073 12.540 651 1HB ALA 93 1HB ALA 93 5.408 2.816 11.789 652 2HB ALA 93 2HB ALA 93 6.326 1.490 12.541 653 3HB ALA 93 3HB ALA 93 4.977 2.249 13.420 654 H SER 94 HN SER 94 7.864 4.495 15.437 655 HA SER 94 HA SER 94 5.398 5.203 16.662 656 1HB SER 94 2HB SER 94 8.170 4.897 17.447 657 2HB SER 94 3HB SER 94 7.605 6.467 17.984 658 HG SER 94 HG SER 94 5.610 5.050 18.711 659 H GLU 95 HN GLU 95 4.782 7.431 17.269 660 HA GLU 95 HA GLU 95 4.994 9.176 15.144 661 1HB GLU 95 2HB GLU 95 3.762 9.127 17.802 662 2HB GLU 95 3HB GLU 95 4.334 10.735 17.405 663 1HG GLU 95 2HG GLU 95 2.034 10.480 16.596 664 2HG GLU 95 3HG GLU 95 3.111 10.631 15.222 665 H LYS 96 HN LYS 96 6.896 8.834 18.157 666 HA LYS 96 HA LYS 96 8.317 11.290 17.685 667 1HB LYS 96 2HB LYS 96 9.521 10.720 19.713 668 2HB LYS 96 3HB LYS 96 7.796 10.544 19.962 669 1HG LYS 96 2HG LYS 96 8.660 8.011 19.010 670 2HG LYS 96 3HG LYS 96 9.903 8.517 20.138 671 1HD LYS 96 2HD LYS 96 8.122 8.989 21.856 672 2HD LYS 96 3HD LYS 96 6.906 8.420 20.729 673 1HE LYS 96 2HE LYS 96 7.501 6.192 20.983 674 2HE LYS 96 3HE LYS 96 9.202 6.554 21.198 675 1HZ LYS 96 1HZ LYS 96 7.951 7.667 23.348 676 2HZ LYS 96 2HZ LYS 96 7.211 6.224 23.156 677 3HZ LYS 96 3HZ LYS 96 8.832 6.293 23.340 678 H ASN 97 HN ASN 97 8.681 7.802 17.056 679 HA ASN 97 HA ASN 97 11.413 7.956 16.457 680 1HB ASN 97 2HB ASN 97 9.186 5.965 15.890 681 2HB ASN 97 3HB ASN 97 10.750 5.739 15.133 682 1HD2 ASN 97 1HD2 ASN 97 9.794 3.858 16.813 683 2HD2 ASN 97 2HD2 ASN 97 10.686 3.811 18.297 684 H LYS 98 HN LYS 98 8.458 8.856 14.823 685 HA LYS 98 HA LYS 98 9.300 8.463 12.157 686 1HB LYS 98 2HB LYS 98 6.929 8.989 13.359 687 2HB LYS 98 3HB LYS 98 7.324 10.592 12.774 688 1HG LYS 98 2HG LYS 98 6.832 10.007 10.637 689 2HG LYS 98 3HG LYS 98 7.938 8.649 10.700 690 1HD LYS 98 2HD LYS 98 6.252 7.145 11.034 691 2HD LYS 98 3HD LYS 98 5.490 8.139 12.260 692 1HE LYS 98 2HE LYS 98 4.243 9.389 10.658 693 2HE LYS 98 3HE LYS 98 5.302 8.937 9.337 694 1HZ LYS 98 1HZ LYS 98 3.121 7.754 9.490 695 2HZ LYS 98 2HZ LYS 98 4.431 6.793 9.324 696 3HZ LYS 98 3HZ LYS 98 3.711 6.947 10.782 697 H GLU 99 HN GLU 99 9.389 11.263 14.440 698 HA GLU 99 HA GLU 99 10.411 13.053 12.591 699 1HB GLU 99 2HB GLU 99 10.330 12.891 15.601 700 2HB GLU 99 3HB GLU 99 11.335 14.123 14.863 701 1HG GLU 99 2HG GLU 99 9.342 14.899 13.520 702 2HG GLU 99 3HG GLU 99 8.352 13.712 14.345 703 H GLU 100 HN GLU 100 11.947 10.592 14.679 704 HA GLU 100 HA GLU 100 14.557 11.564 14.282 705 1HB GLU 100 2HB GLU 100 13.359 9.717 15.964 706 2HB GLU 100 3HB GLU 100 14.255 8.673 14.878 707 1HG GLU 100 2HG GLU 100 15.893 9.127 16.482 708 2HG GLU 100 3HG GLU 100 16.243 10.376 15.303 709 H LEU 101 HN LEU 101 12.497 9.057 12.711 710 HA LEU 101 HA LEU 101 14.504 8.018 11.059 711 1HB LEU 101 2HB LEU 101 11.516 7.990 11.098 712 2HB LEU 101 3HB LEU 101 12.349 7.431 9.662 713 HG LEU 101 HG LEU 101 13.465 6.248 12.085 714 1HD1 LEU 101 1HD1 LEU 101 11.154 4.742 11.977 715 2HD1 LEU 101 2HD1 LEU 101 11.588 5.915 13.243 716 3HD1 LEU 101 3HD1 LEU 101 10.553 6.415 11.884 717 1HD2 LEU 101 1HD2 LEU 101 12.162 4.470 10.171 718 2HD2 LEU 101 2HD2 LEU 101 13.262 5.635 9.395 719 3HD2 LEU 101 3HD2 LEU 101 13.864 4.563 10.682 720 H LYS 102 HN LYS 102 12.416 10.894 10.863 721 HA LYS 102 HA LYS 102 12.595 11.445 8.182 722 1HB LYS 102 2HB LYS 102 11.952 12.868 10.638 723 2HB LYS 102 3HB LYS 102 12.757 13.918 9.489 724 1HG LYS 102 2HG LYS 102 11.104 13.559 7.806 725 2HG LYS 102 3HG LYS 102 10.509 12.097 8.567 726 1HD LYS 102 2HD LYS 102 9.700 13.500 10.519 727 2HD LYS 102 3HD LYS 102 10.196 14.937 9.647 728 1HE LYS 102 2HE LYS 102 7.942 14.808 9.026 729 2HE LYS 102 3HE LYS 102 8.695 13.954 7.694 730 1HZ LYS 102 1HZ LYS 102 8.305 11.896 9.003 731 2HZ LYS 102 2HZ LYS 102 7.398 12.770 10.042 732 3HZ LYS 102 3HZ LYS 102 6.946 12.634 8.479 733 H SER 103 HN SER 103 15.067 11.599 10.708 734 HA SER 103 HA SER 103 16.800 13.158 9.045 735 1HB SER 103 2HB SER 103 16.617 13.091 11.684 736 2HB SER 103 3HB SER 103 17.675 11.700 11.550 737 HG SER 103 HG SER 103 19.003 13.270 10.094 738 H LEU 104 HN LEU 104 16.330 9.757 10.095 739 HA LEU 104 HA LEU 104 18.748 8.881 8.821 740 1HB LEU 104 2HB LEU 104 17.121 7.940 10.838 741 2HB LEU 104 3HB LEU 104 16.741 6.865 9.508 742 HG LEU 104 HG LEU 104 18.999 6.122 9.322 743 1HD1 LEU 104 1HD1 LEU 104 19.611 8.655 10.613 744 2HD1 LEU 104 2HD1 LEU 104 20.481 7.295 11.363 745 3HD1 LEU 104 3HD1 LEU 104 20.638 7.597 9.616 746 1HD2 LEU 104 1HD2 LEU 104 18.158 4.794 10.959 747 2HD2 LEU 104 2HD2 LEU 104 19.446 5.584 11.900 748 3HD2 LEU 104 3HD2 LEU 104 17.767 6.161 12.030 749 H GLY 105 HN GLY 105 15.828 10.010 7.663 750 1HA GLY 105 1HA GLY 105 14.864 8.234 5.832 751 2HA GLY 105 2HA GLY 105 14.933 9.969 5.596 752 H THR 106 HN THR 106 15.134 8.407 3.350 753 HA THR 106 HA THR 106 18.008 8.223 2.777 754 HB THR 106 HB THR 106 16.554 6.201 2.417 755 HG1 THR 106 HG1 THR 106 17.752 5.921 0.551 756 1HG2 THR 106 1HG2 THR 106 14.699 8.058 1.365 757 2HG2 THR 106 2HG2 THR 106 15.369 7.243 -0.068 758 3HG2 THR 106 3HG2 THR 106 14.601 6.286 1.222 759 H GLY 107 HN GLY 107 18.755 8.971 0.620 760 1HA GLY 107 1HA GLY 107 17.320 10.686 -1.016 761 2HA GLY 107 2HA GLY 107 18.012 11.684 0.247 762 H ALA 108 HN ALA 108 20.296 11.982 0.395 763 HA ALA 108 HA ALA 108 21.909 10.609 -1.608 764 1HB ALA 108 1HB ALA 108 20.870 13.136 -2.100 765 2HB ALA 108 2HB ALA 108 22.485 13.489 -1.440 766 3HB ALA 108 3HB ALA 108 22.316 12.440 -2.868 767 HA PRO 109 HA PRO 109 23.834 11.078 2.482 768 1HB PRO 109 2HB PRO 109 24.217 8.430 3.037 769 2HB PRO 109 3HB PRO 109 22.832 9.339 3.609 770 1HG PRO 109 2HG PRO 109 22.971 7.347 1.428 771 2HG PRO 109 3HG PRO 109 21.562 7.939 2.286 772 1HD PRO 109 2HD PRO 109 22.403 8.685 -0.353 773 2HD PRO 109 3HD PRO 109 21.062 9.361 0.550 774 H VAL 110 HN VAL 110 24.679 8.715 0.010 775 HA VAL 110 HA VAL 110 27.411 9.770 0.203 776 HB VAL 110 HB VAL 110 27.132 7.557 1.335 777 1HG1 VAL 110 1HG1 VAL 110 26.482 6.642 -1.485 778 2HG1 VAL 110 2HG1 VAL 110 26.928 5.552 -0.151 779 3HG1 VAL 110 3HG1 VAL 110 25.444 6.528 -0.044 780 1HG2 VAL 110 1HG2 VAL 110 29.041 6.458 -0.041 781 2HG2 VAL 110 2HG2 VAL 110 28.971 7.941 -1.024 782 3HG2 VAL 110 3HG2 VAL 110 29.330 8.043 0.716 783 H ILE 111 HN ILE 111 28.494 10.034 -1.781 784 HA ILE 111 HA ILE 111 26.792 9.548 -4.127 785 HB ILE 111 HB ILE 111 27.852 11.523 -5.127 786 1HG1 ILE 111 2HG1 ILE 111 28.938 12.251 -2.411 787 2HG1 ILE 111 3HG1 ILE 111 29.902 11.328 -3.546 788 1HG2 ILE 111 1HG2 ILE 111 25.702 11.454 -3.579 789 2HG2 ILE 111 2HG2 ILE 111 26.701 12.517 -2.559 790 3HG2 ILE 111 3HG2 ILE 111 26.338 12.980 -4.239 791 1HD1 ILE 111 1HD1 ILE 111 28.673 13.545 -4.955 792 2HD1 ILE 111 2HD1 ILE 111 29.501 14.150 -3.500 793 3HD1 ILE 111 3HD1 ILE 111 30.402 13.203 -4.708 Start of MODEL 13 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.812 -0.937 -1.736 3 1HB ASP 8 2HB ASP 8 0.953 1.796 -1.584 4 2HB ASP 8 3HB ASP 8 2.568 1.820 -2.263 5 HA PRO 9 HA PRO 9 5.914 1.217 -0.587 6 1HB PRO 9 2HB PRO 9 6.006 2.973 1.506 7 2HB PRO 9 3HB PRO 9 5.801 3.477 -0.160 8 1HG PRO 9 2HG PRO 9 3.786 3.353 1.999 9 2HG PRO 9 3HG PRO 9 3.720 4.233 0.485 10 1HD PRO 9 2HD PRO 9 2.362 1.784 1.108 11 2HD PRO 9 3HD PRO 9 2.389 2.603 -0.441 12 H ALA 10 HN ALA 10 6.316 -0.973 -0.106 13 HA ALA 10 HA ALA 10 6.073 -1.670 2.690 14 1HB ALA 10 1HB ALA 10 6.896 -3.888 1.843 15 2HB ALA 10 2HB ALA 10 5.426 -3.312 1.022 16 3HB ALA 10 3HB ALA 10 7.007 -3.177 0.215 17 H VAL 11 HN VAL 11 8.136 0.292 1.107 18 HA VAL 11 HA VAL 11 10.651 -0.839 1.773 19 HB VAL 11 HB VAL 11 9.887 2.033 1.212 20 1HG1 VAL 11 1HG1 VAL 11 12.501 1.126 0.287 21 2HG1 VAL 11 2HG1 VAL 11 12.065 2.545 1.270 22 3HG1 VAL 11 3HG1 VAL 11 12.323 0.966 2.051 23 1HG2 VAL 11 1HG2 VAL 11 9.089 0.844 -0.654 24 2HG2 VAL 11 2HG2 VAL 11 10.708 1.398 -1.143 25 3HG2 VAL 11 3HG2 VAL 11 10.461 -0.289 -0.635 26 H ASP 12 HN ASP 12 8.221 1.155 3.436 27 HA ASP 12 HA ASP 12 9.892 2.125 5.422 28 1HB ASP 12 2HB ASP 12 7.878 2.741 6.564 29 2HB ASP 12 3HB ASP 12 7.503 2.849 4.855 30 H ARG 13 HN ARG 13 7.600 -0.707 5.302 31 HA ARG 13 HA ARG 13 8.106 -1.626 7.829 32 1HB ARG 13 2HB ARG 13 7.042 -2.802 5.276 33 2HB ARG 13 3HB ARG 13 7.535 -3.952 6.503 34 1HG ARG 13 2HG ARG 13 5.813 -3.387 7.924 35 2HG ARG 13 3HG ARG 13 5.918 -1.679 7.545 36 1HD ARG 13 2HD ARG 13 3.978 -2.014 6.378 37 2HD ARG 13 3HD ARG 13 5.012 -2.691 5.135 38 HE ARG 13 HE ARG 13 4.218 -4.612 7.219 39 1HH1 ARG 13 2HH2 ARG 13 3.424 -3.211 4.090 40 2HH1 ARG 13 1HH2 ARG 13 2.434 -4.546 3.601 41 1HH2 ARG 13 2HH1 ARG 13 2.913 -6.373 6.574 42 2HH2 ARG 13 1HH1 ARG 13 2.142 -6.357 5.023 43 H SER 14 HN SER 14 9.842 -2.123 4.731 44 HA SER 14 HA SER 14 11.403 -4.257 5.532 45 1HB SER 14 2HB SER 14 11.315 -2.329 3.327 46 2HB SER 14 3HB SER 14 12.970 -2.718 3.752 47 HG SER 14 HG SER 14 12.726 -4.754 3.054 48 H LEU 15 HN LEU 15 11.797 -0.694 5.871 49 HA LEU 15 HA LEU 15 14.439 -0.853 6.885 50 1HB LEU 15 2HB LEU 15 12.341 1.316 6.952 51 2HB LEU 15 3HB LEU 15 13.973 1.518 7.557 52 HG LEU 15 HG LEU 15 13.848 0.501 4.795 53 1HD1 LEU 15 1HD1 LEU 15 12.800 2.194 3.718 54 2HD1 LEU 15 2HD1 LEU 15 11.881 2.268 5.240 55 3HD1 LEU 15 3HD1 LEU 15 13.224 3.401 4.956 56 1HD2 LEU 15 1HD2 LEU 15 15.347 2.799 4.807 57 2HD2 LEU 15 2HD2 LEU 15 15.521 2.224 6.482 58 3HD2 LEU 15 3HD2 LEU 15 15.960 1.159 5.126 59 H ARG 16 HN ARG 16 11.379 -1.723 8.151 60 HA ARG 16 HA ARG 16 12.333 -1.270 10.854 61 1HB ARG 16 2HB ARG 16 9.543 -2.073 9.883 62 2HB ARG 16 3HB ARG 16 9.969 -1.696 11.540 63 1HG ARG 16 2HG ARG 16 10.906 0.547 10.182 64 2HG ARG 16 3HG ARG 16 9.477 0.134 9.255 65 1HD ARG 16 2HD ARG 16 9.690 0.991 12.136 66 2HD ARG 16 3HD ARG 16 8.538 1.495 10.915 67 HE ARG 16 HE ARG 16 8.355 -0.903 12.621 68 1HH1 ARG 16 2HH2 ARG 16 7.146 0.764 9.767 69 2HH1 ARG 16 1HH2 ARG 16 5.653 -0.113 9.731 70 1HH2 ARG 16 2HH1 ARG 16 6.385 -2.060 12.573 71 2HH2 ARG 16 1HH1 ARG 16 5.217 -1.730 11.337 72 H SER 17 HN SER 17 13.749 -3.264 9.635 73 HA SER 17 HA SER 17 13.074 -5.490 11.199 74 1HB SER 17 2HB SER 17 12.894 -7.099 9.191 75 2HB SER 17 3HB SER 17 11.478 -6.138 9.568 76 HG SER 17 HG SER 17 11.621 -5.159 7.667 77 H VAL 18 HN VAL 18 15.064 -6.254 11.814 78 HA VAL 18 HA VAL 18 17.251 -5.933 9.875 79 HB VAL 18 HB VAL 18 18.523 -6.084 12.237 80 1HG1 VAL 18 1HG1 VAL 18 18.584 -4.331 10.356 81 2HG1 VAL 18 2HG1 VAL 18 17.382 -3.440 11.320 82 3HG1 VAL 18 3HG1 VAL 18 18.988 -3.790 12.003 83 1HG2 VAL 18 1HG2 VAL 18 16.325 -6.189 13.457 84 2HG2 VAL 18 2HG2 VAL 18 17.395 -4.860 13.966 85 3HG2 VAL 18 3HG2 VAL 18 16.006 -4.527 12.903 86 H PHE 19 HN PHE 19 18.207 -7.783 9.186 87 HA PHE 19 HA PHE 19 17.246 -10.260 10.246 88 1HB PHE 19 2HB PHE 19 17.667 -9.948 7.831 89 2HB PHE 19 3HB PHE 19 19.285 -9.348 8.138 90 HD1 PHE 19 HD1 PHE 19 20.947 -10.797 7.504 91 HD2 PHE 19 HD2 PHE 19 17.344 -12.415 9.055 92 HE1 PHE 19 HE1 PHE 19 21.862 -13.115 7.210 93 HE2 PHE 19 HE2 PHE 19 18.259 -14.734 8.761 94 HZ PHE 19 HZ PHE 19 20.507 -15.056 7.842 95 H VAL 20 HN VAL 20 18.216 -11.584 11.727 96 HA VAL 20 HA VAL 20 20.961 -10.863 12.495 97 HB VAL 20 HB VAL 20 19.014 -12.227 14.322 98 1HG1 VAL 20 1HG1 VAL 20 21.367 -10.361 14.780 99 2HG1 VAL 20 2HG1 VAL 20 20.365 -11.097 16.054 100 3HG1 VAL 20 3HG1 VAL 20 21.359 -12.127 14.996 101 1HG2 VAL 20 1HG2 VAL 20 18.739 -9.696 15.167 102 2HG2 VAL 20 2HG2 VAL 20 18.935 -9.385 13.426 103 3HG2 VAL 20 3HG2 VAL 20 17.627 -10.447 13.998 104 H GLY 21 HN GLY 21 22.495 -12.465 12.439 105 1HA GLY 21 1HA GLY 21 21.596 -15.248 12.238 106 2HA GLY 21 2HA GLY 21 22.521 -14.582 10.907 107 H ASN 22 HN ASN 22 23.900 -16.547 11.791 108 HA ASN 22 HA ASN 22 25.758 -17.219 12.680 109 1HB ASN 22 2HB ASN 22 26.477 -14.819 11.859 110 2HB ASN 22 3HB ASN 22 26.439 -14.378 13.554 111 1HD2 ASN 22 1HD2 ASN 22 28.583 -14.044 13.805 112 2HD2 ASN 22 2HD2 ASN 22 29.793 -15.283 13.738 113 H ILE 23 HN ILE 23 23.277 -16.876 14.334 114 HA ILE 23 HA ILE 23 24.424 -16.317 16.968 115 HB ILE 23 HB ILE 23 21.513 -16.774 16.482 116 1HG1 ILE 23 2HG1 ILE 23 22.911 -14.149 15.891 117 2HG1 ILE 23 3HG1 ILE 23 22.288 -15.243 14.672 118 1HG2 ILE 23 1HG2 ILE 23 21.504 -14.853 18.224 119 2HG2 ILE 23 2HG2 ILE 23 21.960 -16.495 18.740 120 3HG2 ILE 23 3HG2 ILE 23 23.220 -15.271 18.450 121 1HD1 ILE 23 1HD1 ILE 23 20.829 -13.382 16.460 122 2HD1 ILE 23 2HD1 ILE 23 20.363 -14.031 14.870 123 3HD1 ILE 23 3HD1 ILE 23 20.095 -14.999 16.339 124 HA PRO 24 HA PRO 24 24.444 -20.561 17.792 125 1HB PRO 24 2HB PRO 24 24.744 -20.509 20.508 126 2HB PRO 24 3HB PRO 24 26.080 -20.306 19.392 127 1HG PRO 24 2HG PRO 24 24.699 -18.261 21.020 128 2HG PRO 24 3HG PRO 24 26.268 -18.172 20.245 129 1HD PRO 24 2HD PRO 24 23.835 -16.950 19.341 130 2HD PRO 24 3HD PRO 24 25.377 -16.958 18.508 131 H TYR 25 HN TYR 25 23.528 -21.953 20.019 132 HA TYR 25 HA TYR 25 20.682 -21.770 19.428 133 1HB TYR 25 2HB TYR 25 22.655 -23.711 20.746 134 2HB TYR 25 3HB TYR 25 20.933 -23.957 20.957 135 HD1 TYR 25 HD1 TYR 25 23.733 -24.703 18.931 136 HD2 TYR 25 HD2 TYR 25 19.511 -24.037 18.727 137 HE1 TYR 25 HE1 TYR 25 23.634 -25.958 16.722 138 HE2 TYR 25 HE2 TYR 25 19.427 -25.294 16.519 139 HH TYR 25 HH TYR 25 20.981 -27.203 15.475 140 H GLU 26 HN GLU 26 23.043 -21.313 22.066 141 HA GLU 26 HA GLU 26 21.134 -21.297 24.112 142 1HB GLU 26 2HB GLU 26 23.980 -21.014 23.846 143 2HB GLU 26 3HB GLU 26 23.408 -19.648 24.783 144 1HG GLU 26 2HG GLU 26 22.384 -22.420 25.446 145 2HG GLU 26 3HG GLU 26 23.987 -21.953 25.980 146 H ALA 27 HN ALA 27 21.651 -19.164 21.524 147 HA ALA 27 HA ALA 27 20.756 -16.838 23.059 148 1HB ALA 27 1HB ALA 27 21.207 -15.886 20.571 149 2HB ALA 27 2HB ALA 27 22.496 -16.058 21.786 150 3HB ALA 27 3HB ALA 27 22.281 -17.305 20.533 151 H THR 28 HN THR 28 18.557 -17.343 23.394 152 HA THR 28 HA THR 28 16.972 -18.024 21.046 153 HB THR 28 HB THR 28 15.179 -18.130 22.954 154 HG1 THR 28 HG1 THR 28 16.100 -17.886 25.019 155 1HG2 THR 28 1HG2 THR 28 16.281 -20.214 22.124 156 2HG2 THR 28 2HG2 THR 28 17.686 -19.881 23.164 157 3HG2 THR 28 3HG2 THR 28 16.107 -20.256 23.895 158 H GLU 29 HN GLU 29 14.691 -16.871 21.043 159 HA GLU 29 HA GLU 29 15.199 -14.297 20.229 160 1HB GLU 29 2HB GLU 29 12.766 -15.954 20.760 161 2HB GLU 29 3HB GLU 29 12.510 -14.222 20.691 162 1HG GLU 29 2HG GLU 29 13.808 -14.224 18.473 163 2HG GLU 29 3HG GLU 29 13.764 -15.975 18.531 164 H GLU 30 HN GLU 30 14.371 -15.623 23.417 165 HA GLU 30 HA GLU 30 13.466 -13.262 24.561 166 1HB GLU 30 2HB GLU 30 13.986 -15.950 25.376 167 2HB GLU 30 3HB GLU 30 14.858 -14.920 26.495 168 1HG GLU 30 2HG GLU 30 12.555 -13.529 26.471 169 2HG GLU 30 3HG GLU 30 11.890 -15.071 25.969 170 H GLN 31 HN GLN 31 16.722 -14.570 23.936 171 HA GLN 31 HA GLN 31 17.944 -12.584 25.593 172 1HB GLN 31 2HB GLN 31 19.131 -14.631 23.668 173 2HB GLN 31 3HB GLN 31 20.081 -13.590 24.710 174 1HG GLN 31 2HG GLN 31 18.419 -14.614 26.591 175 2HG GLN 31 3HG GLN 31 18.338 -15.932 25.438 176 1HE2 GLN 31 1HE2 GLN 31 20.237 -14.228 27.740 177 2HE2 GLN 31 2HE2 GLN 31 21.650 -15.230 27.723 178 H LEU 32 HN LEU 32 17.526 -13.294 22.076 179 HA LEU 32 HA LEU 32 19.105 -11.219 21.119 180 1HB LEU 32 2HB LEU 32 16.861 -12.876 20.053 181 2HB LEU 32 3HB LEU 32 17.363 -11.463 19.146 182 HG LEU 32 HG LEU 32 19.184 -13.748 19.954 183 1HD1 LEU 32 1HD1 LEU 32 17.240 -13.935 18.094 184 2HD1 LEU 32 2HD1 LEU 32 18.553 -13.259 17.101 185 3HD1 LEU 32 3HD1 LEU 32 18.801 -14.783 17.986 186 1HD2 LEU 32 1HD2 LEU 32 20.928 -12.541 19.293 187 2HD2 LEU 32 2HD2 LEU 32 20.115 -12.067 17.782 188 3HD2 LEU 32 3HD2 LEU 32 19.851 -11.125 19.269 189 H LYS 33 HN LYS 33 15.573 -11.334 21.914 190 HA LYS 33 HA LYS 33 15.015 -8.726 21.142 191 1HB LYS 33 2HB LYS 33 13.253 -10.310 21.501 192 2HB LYS 33 3HB LYS 33 13.728 -10.572 23.167 193 1HG LYS 33 2HG LYS 33 12.681 -8.668 23.905 194 2HG LYS 33 3HG LYS 33 13.214 -7.720 22.531 195 1HD LYS 33 2HD LYS 33 11.420 -8.504 21.142 196 2HD LYS 33 3HD LYS 33 11.060 -9.843 22.213 197 1HE LYS 33 2HE LYS 33 10.723 -7.712 23.935 198 2HE LYS 33 3HE LYS 33 10.241 -6.981 22.417 199 1HZ LYS 33 1HZ LYS 33 8.424 -8.085 23.572 200 2HZ LYS 33 2HZ LYS 33 8.674 -8.731 22.093 201 3HZ LYS 33 3HZ LYS 33 9.178 -9.526 23.428 202 H ASP 34 HN ASP 34 16.389 -10.088 24.158 203 HA ASP 34 HA ASP 34 16.139 -7.753 25.643 204 1HB ASP 34 2HB ASP 34 17.045 -10.353 26.071 205 2HB ASP 34 3HB ASP 34 18.528 -9.428 26.199 206 H ILE 35 HN ILE 35 18.576 -9.043 23.345 207 HA ILE 35 HA ILE 35 20.599 -7.170 23.961 208 HB ILE 35 HB ILE 35 20.109 -8.867 21.512 209 1HG1 ILE 35 2HG1 ILE 35 22.209 -9.502 23.528 210 2HG1 ILE 35 3HG1 ILE 35 20.546 -9.798 23.996 211 1HG2 ILE 35 1HG2 ILE 35 22.618 -7.398 22.370 212 2HG2 ILE 35 2HG2 ILE 35 22.466 -8.506 20.986 213 3HG2 ILE 35 3HG2 ILE 35 21.568 -6.970 20.998 214 1HD1 ILE 35 1HD1 ILE 35 21.034 -10.720 21.257 215 2HD1 ILE 35 2HD1 ILE 35 22.162 -11.472 22.411 216 3HD1 ILE 35 3HD1 ILE 35 20.405 -11.623 22.657 217 H PHE 36 HN PHE 36 18.022 -7.341 21.424 218 HA PHE 36 HA PHE 36 18.771 -4.892 20.244 219 1HB PHE 36 2HB PHE 36 16.608 -6.960 20.170 220 2HB PHE 36 3HB PHE 36 16.033 -5.359 19.747 221 HD1 PHE 36 HD1 PHE 36 18.498 -4.324 18.364 222 HD2 PHE 36 HD2 PHE 36 16.502 -8.060 18.103 223 HE1 PHE 36 HE1 PHE 36 19.372 -4.628 16.031 224 HE2 PHE 36 HE2 PHE 36 17.375 -8.363 15.769 225 HZ PHE 36 HZ PHE 36 18.800 -6.644 14.761 226 H SER 37 HN SER 37 16.723 -5.803 23.000 227 HA SER 37 HA SER 37 15.186 -3.501 23.080 228 1HB SER 37 2HB SER 37 14.632 -4.169 25.349 229 2HB SER 37 3HB SER 37 14.744 -5.613 24.362 230 HG SER 37 HG SER 37 16.539 -4.654 26.379 231 H GLU 38 HN GLU 38 18.459 -4.303 24.304 232 HA GLU 38 HA GLU 38 18.683 -1.984 25.878 233 1HB GLU 38 2HB GLU 38 20.155 -3.669 26.541 234 2HB GLU 38 3HB GLU 38 20.541 -4.138 24.897 235 1HG GLU 38 2HG GLU 38 22.478 -3.007 25.896 236 2HG GLU 38 3HG GLU 38 21.840 -2.024 24.592 237 H VAL 39 HN VAL 39 18.641 -2.499 22.498 238 HA VAL 39 HA VAL 39 20.296 -0.129 22.017 239 HB VAL 39 HB VAL 39 19.243 -1.960 19.889 240 1HG1 VAL 39 1HG1 VAL 39 21.685 -1.333 19.070 241 2HG1 VAL 39 2HG1 VAL 39 20.321 -0.208 18.860 242 3HG1 VAL 39 3HG1 VAL 39 21.468 0.023 20.202 243 1HG2 VAL 39 1HG2 VAL 39 20.235 -3.709 20.906 244 2HG2 VAL 39 2HG2 VAL 39 21.752 -2.958 20.355 245 3HG2 VAL 39 3HG2 VAL 39 21.166 -2.670 22.011 246 H GLY 40 HN GLY 40 17.243 -0.731 22.901 247 1HA GLY 40 1HA GLY 40 15.926 1.419 22.568 248 2HA GLY 40 2HA GLY 40 16.011 1.016 20.865 249 HA PRO 41 HA PRO 41 12.379 -1.096 22.696 250 1HB PRO 41 2HB PRO 41 10.393 0.232 21.370 251 2HB PRO 41 3HB PRO 41 10.915 0.657 22.988 252 1HG PRO 41 2HG PRO 41 11.472 2.043 20.437 253 2HG PRO 41 3HG PRO 41 11.611 2.656 22.073 254 1HD PRO 41 2HD PRO 41 13.759 1.817 20.367 255 2HD PRO 41 3HD PRO 41 13.885 2.320 22.041 256 H VAL 42 HN VAL 42 12.055 -3.089 21.957 257 HA VAL 42 HA VAL 42 12.198 -3.328 19.044 258 HB VAL 42 HB VAL 42 13.818 -4.587 20.376 259 1HG1 VAL 42 1HG1 VAL 42 13.315 -5.732 22.230 260 2HG1 VAL 42 2HG1 VAL 42 11.697 -4.996 22.140 261 3HG1 VAL 42 3HG1 VAL 42 11.986 -6.599 21.423 262 1HG2 VAL 42 1HG2 VAL 42 13.502 -6.749 19.322 263 2HG2 VAL 42 2HG2 VAL 42 11.769 -6.419 19.084 264 3HG2 VAL 42 3HG2 VAL 42 12.987 -5.464 18.203 265 H VAL 43 HN VAL 43 10.359 -3.644 17.904 266 HA VAL 43 HA VAL 43 7.881 -3.825 19.243 267 HB VAL 43 HB VAL 43 8.580 -4.274 16.334 268 1HG1 VAL 43 1HG1 VAL 43 6.408 -4.942 16.326 269 2HG1 VAL 43 2HG1 VAL 43 6.020 -4.083 17.836 270 3HG1 VAL 43 3HG1 VAL 43 6.109 -3.188 16.300 271 1HG2 VAL 43 1HG2 VAL 43 7.772 -1.710 17.749 272 2HG2 VAL 43 2HG2 VAL 43 9.410 -2.106 17.177 273 3HG2 VAL 43 3HG2 VAL 43 8.084 -1.905 16.007 274 H SER 44 HN SER 44 9.232 -6.128 16.781 275 HA SER 44 HA SER 44 8.544 -8.279 18.585 276 1HB SER 44 2HB SER 44 6.932 -7.548 16.324 277 2HB SER 44 3HB SER 44 7.733 -9.054 15.920 278 HG SER 44 HG SER 44 6.766 -10.094 17.637 279 H PHE 45 HN PHE 45 9.429 -10.448 17.679 280 HA PHE 45 HA PHE 45 11.515 -10.125 15.708 281 1HB PHE 45 2HB PHE 45 12.266 -9.541 18.203 282 2HB PHE 45 3HB PHE 45 12.124 -11.265 18.484 283 HD1 PHE 45 HD1 PHE 45 14.645 -9.644 18.775 284 HD2 PHE 45 HD2 PHE 45 13.085 -11.832 15.490 285 HE1 PHE 45 HE1 PHE 45 16.971 -9.979 17.893 286 HE2 PHE 45 HE2 PHE 45 15.411 -12.167 14.608 287 HZ PHE 45 HZ PHE 45 17.326 -11.237 15.820 288 H ARG 46 HN ARG 46 11.164 -11.826 14.364 289 HA ARG 46 HA ARG 46 10.514 -14.347 15.667 290 1HB ARG 46 2HB ARG 46 9.197 -12.927 13.394 291 2HB ARG 46 3HB ARG 46 9.474 -14.635 13.114 292 1HG ARG 46 2HG ARG 46 8.478 -14.825 15.619 293 2HG ARG 46 3HG ARG 46 7.728 -13.304 15.176 294 1HD ARG 46 2HD ARG 46 7.034 -14.577 12.960 295 2HD ARG 46 3HD ARG 46 7.373 -16.028 13.883 296 HE ARG 46 HE ARG 46 5.709 -14.258 15.436 297 1HH1 ARG 46 2HH2 ARG 46 5.580 -16.453 12.689 298 2HH1 ARG 46 1HH2 ARG 46 3.898 -16.813 12.893 299 1HH2 ARG 46 2HH1 ARG 46 3.490 -14.733 15.706 300 2HH2 ARG 46 1HH1 ARG 46 2.701 -15.828 14.620 301 H LEU 47 HN LEU 47 11.774 -16.122 15.032 302 HA LEU 47 HA LEU 47 13.612 -15.632 12.791 303 1HB LEU 47 2HB LEU 47 15.295 -16.903 13.985 304 2HB LEU 47 3HB LEU 47 14.807 -15.474 14.874 305 HG LEU 47 HG LEU 47 13.226 -17.087 16.168 306 1HD1 LEU 47 1HD1 LEU 47 14.421 -19.391 16.342 307 2HD1 LEU 47 2HD1 LEU 47 13.276 -19.090 15.012 308 3HD1 LEU 47 3HD1 LEU 47 15.029 -19.001 14.714 309 1HD2 LEU 47 1HD2 LEU 47 15.216 -15.904 17.075 310 2HD2 LEU 47 2HD2 LEU 47 14.928 -17.496 17.817 311 3HD2 LEU 47 3HD2 LEU 47 16.216 -17.298 16.604 312 H VAL 48 HN VAL 48 14.615 -17.985 12.179 313 HA VAL 48 HA VAL 48 12.270 -19.490 11.401 314 HB VAL 48 HB VAL 48 14.098 -20.794 10.142 315 1HG1 VAL 48 1HG1 VAL 48 14.270 -18.940 8.417 316 2HG1 VAL 48 2HG1 VAL 48 12.623 -19.364 8.940 317 3HG1 VAL 48 3HG1 VAL 48 13.408 -17.899 9.575 318 1HG2 VAL 48 1HG2 VAL 48 16.253 -20.100 10.132 319 2HG2 VAL 48 2HG2 VAL 48 15.814 -18.381 10.279 320 3HG2 VAL 48 3HG2 VAL 48 15.830 -19.422 11.722 321 H TYR 49 HN TYR 49 11.528 -21.225 12.503 322 HA TYR 49 HA TYR 49 13.462 -22.621 14.227 323 1HB TYR 49 2HB TYR 49 10.790 -21.342 14.625 324 2HB TYR 49 3HB TYR 49 10.817 -23.000 15.193 325 HD1 TYR 49 HD1 TYR 49 12.725 -23.656 16.837 326 HD2 TYR 49 HD2 TYR 49 11.616 -19.614 15.982 327 HE1 TYR 49 HE1 TYR 49 13.823 -22.891 18.999 328 HE2 TYR 49 HE2 TYR 49 12.718 -18.861 18.147 329 HH TYR 49 HH TYR 49 13.259 -19.887 20.340 330 H ASP 50 HN ASP 50 13.791 -24.692 13.605 331 HA ASP 50 HA ASP 50 12.139 -25.829 11.634 332 1HB ASP 50 2HB ASP 50 14.627 -26.486 13.083 333 2HB ASP 50 3HB ASP 50 13.652 -27.909 12.776 334 H ARG 51 HN ARG 51 10.082 -26.592 12.173 335 HA ARG 51 HA ARG 51 9.459 -27.283 14.819 336 1HB ARG 51 2HB ARG 51 7.995 -27.506 12.158 337 2HB ARG 51 3HB ARG 51 7.281 -28.154 13.622 338 1HG ARG 51 2HG ARG 51 7.510 -25.897 14.711 339 2HG ARG 51 3HG ARG 51 8.175 -25.259 13.220 340 1HD ARG 51 2HD ARG 51 5.823 -26.500 12.350 341 2HD ARG 51 3HD ARG 51 5.358 -25.861 13.914 342 HE ARG 51 HE ARG 51 5.603 -23.669 13.090 343 1HH1 ARG 51 2HH2 ARG 51 7.004 -25.964 10.819 344 2HH1 ARG 51 1HH2 ARG 51 7.215 -24.789 9.564 345 1HH2 ARG 51 2HH1 ARG 51 5.881 -22.118 11.434 346 2HH2 ARG 51 1HH1 ARG 51 6.572 -22.587 9.917 347 H GLU 52 HN GLU 52 10.556 -29.024 11.933 348 HA GLU 52 HA GLU 52 9.683 -31.560 12.767 349 1HB GLU 52 2HB GLU 52 10.368 -30.748 10.397 350 2HB GLU 52 3HB GLU 52 12.024 -31.019 10.905 351 1HG GLU 52 2HG GLU 52 11.825 -33.292 10.765 352 2HG GLU 52 3HG GLU 52 10.264 -33.299 11.562 353 H THR 53 HN THR 53 12.549 -29.549 13.387 354 HA THR 53 HA THR 53 13.738 -31.782 14.891 355 HB THR 53 HB THR 53 14.900 -29.279 13.571 356 HG1 THR 53 HG1 THR 53 15.313 -30.856 12.074 357 1HG2 THR 53 1HG2 THR 53 16.071 -29.839 15.772 358 2HG2 THR 53 2HG2 THR 53 16.368 -31.470 15.125 359 3HG2 THR 53 3HG2 THR 53 17.097 -30.052 14.333 360 H GLY 54 HN GLY 54 11.754 -29.116 15.285 361 1HA GLY 54 1HA GLY 54 11.173 -27.864 17.059 362 2HA GLY 54 2HA GLY 54 11.779 -29.179 18.046 363 H LYS 55 HN LYS 55 14.116 -27.778 15.857 364 HA LYS 55 HA LYS 55 15.221 -26.232 18.099 365 1HB LYS 55 2HB LYS 55 16.628 -27.959 16.049 366 2HB LYS 55 3HB LYS 55 17.464 -26.780 17.038 367 1HG LYS 55 2HG LYS 55 15.772 -29.085 18.115 368 2HG LYS 55 3HG LYS 55 17.523 -29.075 18.039 369 1HD LYS 55 2HD LYS 55 16.788 -26.645 19.346 370 2HD LYS 55 3HD LYS 55 15.771 -27.889 20.046 371 1HE LYS 55 2HE LYS 55 17.646 -29.187 20.774 372 2HE LYS 55 3HE LYS 55 18.754 -28.358 19.700 373 1HZ LYS 55 1HZ LYS 55 19.029 -27.541 21.891 374 2HZ LYS 55 2HZ LYS 55 18.347 -26.344 21.014 375 3HZ LYS 55 3HZ LYS 55 17.439 -27.208 22.061 376 HA PRO 56 HA PRO 56 15.078 -22.876 15.385 377 1HB PRO 56 2HB PRO 56 16.830 -21.168 16.602 378 2HB PRO 56 3HB PRO 56 15.173 -21.376 17.130 379 1HG PRO 56 2HG PRO 56 17.655 -22.396 18.370 380 2HG PRO 56 3HG PRO 56 16.063 -22.224 19.082 381 1HD PRO 56 2HD PRO 56 17.283 -24.656 18.175 382 2HD PRO 56 3HD PRO 56 15.649 -24.465 18.779 383 H LYS 57 HN LYS 57 15.860 -22.207 13.450 384 HA LYS 57 HA LYS 57 17.958 -23.621 12.379 385 1HB LYS 57 2HB LYS 57 16.190 -21.479 11.596 386 2HB LYS 57 3HB LYS 57 17.810 -21.144 11.017 387 1HG LYS 57 2HG LYS 57 16.435 -23.844 10.643 388 2HG LYS 57 3HG LYS 57 16.352 -22.558 9.456 389 1HD LYS 57 2HD LYS 57 18.383 -23.133 8.632 390 2HD LYS 57 3HD LYS 57 19.122 -22.893 10.202 391 1HE LYS 57 2HE LYS 57 19.043 -25.146 10.749 392 2HE LYS 57 3HE LYS 57 17.538 -25.416 9.893 393 1HZ LYS 57 1HZ LYS 57 20.091 -25.919 8.996 394 2HZ LYS 57 2HZ LYS 57 18.693 -26.121 8.177 395 3HZ LYS 57 3HZ LYS 57 19.514 -24.714 8.057 396 H GLY 58 HN GLY 58 17.997 -20.180 13.557 397 1HA GLY 58 1HA GLY 58 20.037 -19.967 15.131 398 2HA GLY 58 2HA GLY 58 20.931 -20.347 13.673 399 H TYR 59 HN TYR 59 18.550 -18.914 12.143 400 HA TYR 59 HA TYR 59 19.453 -16.175 12.730 401 1HB TYR 59 2HB TYR 59 19.207 -15.930 10.173 402 2HB TYR 59 3HB TYR 59 20.499 -17.013 10.652 403 HD1 TYR 59 HD1 TYR 59 20.242 -19.468 10.396 404 HD2 TYR 59 HD2 TYR 59 17.242 -16.747 9.017 405 HE1 TYR 59 HE1 TYR 59 19.216 -21.309 8.974 406 HE2 TYR 59 HE2 TYR 59 16.226 -18.597 7.600 407 HH TYR 59 HH TYR 59 17.832 -21.398 6.873 408 H GLY 60 HN GLY 60 17.907 -14.471 12.114 409 1HA GLY 60 1HA GLY 60 15.233 -15.197 11.368 410 2HA GLY 60 2HA GLY 60 15.375 -14.823 13.074 411 H PHE 61 HN PHE 61 13.818 -13.031 12.269 412 HA PHE 61 HA PHE 61 15.472 -10.718 11.569 413 1HB PHE 61 2HB PHE 61 12.648 -11.468 10.599 414 2HB PHE 61 3HB PHE 61 13.465 -9.972 10.191 415 HD1 PHE 61 HD1 PHE 61 13.455 -13.614 9.665 416 HD2 PHE 61 HD2 PHE 61 15.146 -9.905 8.486 417 HE1 PHE 61 HE1 PHE 61 14.470 -14.716 7.652 418 HE2 PHE 61 HE2 PHE 61 16.161 -11.007 6.472 419 HZ PHE 61 HZ PHE 61 15.811 -13.400 6.080 420 H CYS 62 HN CYS 62 15.024 -8.837 12.721 421 HA CYS 62 HA CYS 62 12.852 -9.100 14.671 422 1HB CYS 62 2HB CYS 62 15.213 -9.123 15.595 423 2HB CYS 62 3HB CYS 62 15.383 -7.471 15.035 424 HG CYS 62 HG CYS 62 13.704 -6.348 16.475 425 H GLU 63 HN GLU 63 11.207 -7.630 14.377 426 HA GLU 63 HA GLU 63 11.772 -5.425 12.579 427 1HB GLU 63 2HB GLU 63 9.896 -6.577 11.766 428 2HB GLU 63 3HB GLU 63 9.283 -6.935 13.368 429 1HG GLU 63 2HG GLU 63 9.467 -4.036 12.566 430 2HG GLU 63 3HG GLU 63 8.207 -5.001 11.824 431 H TYR 64 HN TYR 64 11.894 -3.337 13.316 432 HA TYR 64 HA TYR 64 11.309 -2.920 16.145 433 1HB TYR 64 2HB TYR 64 13.036 -1.822 13.933 434 2HB TYR 64 3HB TYR 64 12.425 -0.603 15.034 435 HD1 TYR 64 HD1 TYR 64 13.118 -0.576 17.397 436 HD2 TYR 64 HD2 TYR 64 14.674 -3.475 14.662 437 HE1 TYR 64 HE1 TYR 64 14.980 -1.133 19.035 438 HE2 TYR 64 HE2 TYR 64 16.531 -4.022 16.310 439 HH TYR 64 HH TYR 64 16.434 -3.314 19.433 440 H GLN 65 HN GLN 65 10.813 -0.236 16.299 441 HA GLN 65 HA GLN 65 8.330 -0.023 14.782 442 1HB GLN 65 2HB GLN 65 8.746 0.019 17.569 443 2HB GLN 65 3HB GLN 65 8.503 1.703 17.150 444 1HG GLN 65 2HG GLN 65 6.426 0.978 15.834 445 2HG GLN 65 3HG GLN 65 6.634 -0.624 16.513 446 1HE2 GLN 65 1HE2 GLN 65 4.857 -0.716 17.752 447 2HE2 GLN 65 2HE2 GLN 65 4.537 0.292 19.124 448 H ASP 66 HN ASP 66 11.470 1.311 15.401 449 HA ASP 66 HA ASP 66 10.645 3.728 13.992 450 1HB ASP 66 2HB ASP 66 13.123 3.647 15.720 451 2HB ASP 66 3HB ASP 66 12.145 5.030 15.272 452 H GLN 67 HN GLN 67 11.887 4.196 12.120 453 HA GLN 67 HA GLN 67 13.469 2.155 11.092 454 1HB GLN 67 2HB GLN 67 12.567 4.852 10.267 455 2HB GLN 67 3HB GLN 67 14.121 4.404 9.591 456 1HG GLN 67 2HG GLN 67 12.859 2.081 9.104 457 2HG GLN 67 3HG GLN 67 11.430 3.092 9.200 458 1HE2 GLN 67 1HE2 GLN 67 10.750 3.727 7.315 459 2HE2 GLN 67 2HE2 GLN 67 11.706 4.187 5.945 460 H GLU 68 HN GLU 68 14.211 5.193 12.841 461 HA GLU 68 HA GLU 68 16.958 5.120 12.294 462 1HB GLU 68 2HB GLU 68 15.912 7.203 12.956 463 2HB GLU 68 3HB GLU 68 15.312 6.506 14.447 464 1HG GLU 68 2HG GLU 68 18.293 6.497 13.912 465 2HG GLU 68 3HG GLU 68 17.527 7.980 14.447 466 H THR 69 HN THR 69 14.862 3.745 14.853 467 HA THR 69 HA THR 69 16.973 2.983 16.578 468 HB THR 69 HB THR 69 14.108 1.947 16.236 469 HG1 THR 69 HG1 THR 69 13.956 3.556 18.093 470 1HG2 THR 69 1HG2 THR 69 15.348 2.081 18.926 471 2HG2 THR 69 2HG2 THR 69 14.370 0.783 18.201 472 3HG2 THR 69 3HG2 THR 69 16.115 0.876 17.865 473 H ALA 70 HN ALA 70 15.301 1.376 13.836 474 HA ALA 70 HA ALA 70 16.543 -1.122 14.264 475 1HB ALA 70 1HB ALA 70 15.898 -0.862 11.532 476 2HB ALA 70 2HB ALA 70 14.886 -1.573 12.812 477 3HB ALA 70 3HB ALA 70 14.711 0.148 12.393 478 H LEU 71 HN LEU 71 17.354 1.820 12.354 479 HA LEU 71 HA LEU 71 19.579 0.621 11.074 480 1HB LEU 71 2HB LEU 71 18.356 3.308 11.292 481 2HB LEU 71 3HB LEU 71 20.069 3.270 10.922 482 HG LEU 71 HG LEU 71 18.241 1.523 9.319 483 1HD1 LEU 71 1HD1 LEU 71 18.577 4.448 8.644 484 2HD1 LEU 71 2HD1 LEU 71 17.509 3.245 7.884 485 3HD1 LEU 71 3HD1 LEU 71 17.170 3.818 9.535 486 1HD2 LEU 71 1HD2 LEU 71 19.857 2.227 7.514 487 2HD2 LEU 71 2HD2 LEU 71 20.800 3.045 8.783 488 3HD2 LEU 71 3HD2 LEU 71 20.556 1.283 8.851 489 H SER 72 HN SER 72 19.090 2.577 14.057 490 HA SER 72 HA SER 72 21.799 2.903 14.581 491 1HB SER 72 2HB SER 72 19.773 4.124 15.613 492 2HB SER 72 3HB SER 72 19.592 2.739 16.671 493 HG SER 72 HG SER 72 22.030 4.287 16.433 494 H ALA 73 HN ALA 73 19.420 0.332 15.361 495 HA ALA 73 HA ALA 73 21.049 -1.038 17.205 496 1HB ALA 73 1HB ALA 73 18.525 -1.206 16.851 497 2HB ALA 73 2HB ALA 73 18.884 -2.212 15.427 498 3HB ALA 73 3HB ALA 73 19.387 -2.751 17.048 499 H MET 74 HN MET 74 20.653 -1.133 13.636 500 HA MET 74 HA MET 74 22.118 -3.456 13.243 501 1HB MET 74 2HB MET 74 20.785 -1.464 11.692 502 2HB MET 74 3HB MET 74 22.434 -1.457 11.100 503 1HG MET 74 2HG MET 74 21.606 -4.213 11.452 504 2HG MET 74 3HG MET 74 20.362 -3.376 10.545 505 1HE MET 74 1HE MET 74 20.492 -2.322 8.520 506 2HE MET 74 2HE MET 74 21.891 -1.222 8.555 507 3HE MET 74 3HE MET 74 21.766 -2.464 7.286 508 H ARG 75 HN ARG 75 23.093 0.033 13.254 509 HA ARG 75 HA ARG 75 25.783 -0.636 12.698 510 1HB ARG 75 2HB ARG 75 24.684 1.556 12.066 511 2HB ARG 75 3HB ARG 75 24.603 1.979 13.764 512 1HG ARG 75 2HG ARG 75 27.297 1.217 13.365 513 2HG ARG 75 3HG ARG 75 26.887 2.123 11.922 514 1HD ARG 75 2HD ARG 75 26.076 3.242 14.616 515 2HD ARG 75 3HD ARG 75 27.751 3.376 14.118 516 HE ARG 75 HE ARG 75 26.330 4.254 11.893 517 1HH1 ARG 75 2HH2 ARG 75 26.426 5.173 15.288 518 2HH1 ARG 75 1HH2 ARG 75 26.009 6.827 14.984 519 1HH2 ARG 75 2HH1 ARG 75 25.780 6.435 11.491 520 2HH2 ARG 75 1HH1 ARG 75 25.639 7.549 12.809 521 H ASN 76 HN ASN 76 23.745 -0.312 15.550 522 HA ASN 76 HA ASN 76 25.836 0.241 17.352 523 1HB ASN 76 2HB ASN 76 22.940 -0.614 17.547 524 2HB ASN 76 3HB ASN 76 23.939 -0.807 18.974 525 1HD2 ASN 76 1HD2 ASN 76 21.677 1.023 18.180 526 2HD2 ASN 76 2HD2 ASN 76 22.216 2.625 18.559 527 H LEU 77 HN LEU 77 24.199 -2.661 16.018 528 HA LEU 77 HA LEU 77 25.880 -4.363 17.710 529 1HB LEU 77 2HB LEU 77 23.368 -4.973 16.147 530 2HB LEU 77 3HB LEU 77 24.312 -6.160 17.026 531 HG LEU 77 HG LEU 77 23.575 -3.892 18.712 532 1HD1 LEU 77 1HD1 LEU 77 21.113 -4.976 18.760 533 2HD1 LEU 77 2HD1 LEU 77 21.540 -3.541 17.797 534 3HD1 LEU 77 3HD1 LEU 77 21.481 -5.144 17.026 535 1HD2 LEU 77 1HD2 LEU 77 24.467 -6.035 19.530 536 2HD2 LEU 77 2HD2 LEU 77 22.878 -5.651 20.235 537 3HD2 LEU 77 3HD2 LEU 77 23.006 -6.860 18.935 538 H ASN 78 HN ASN 78 24.434 -5.279 14.580 539 HA ASN 78 HA ASN 78 25.416 -6.334 12.915 540 1HB ASN 78 2HB ASN 78 25.476 -4.221 11.860 541 2HB ASN 78 3HB ASN 78 26.609 -3.556 13.021 542 1HD2 ASN 78 1HD2 ASN 78 26.573 -6.465 10.960 543 2HD2 ASN 78 2HD2 ASN 78 28.091 -6.195 10.171 544 H GLY 79 HN GLY 79 26.548 -8.084 14.051 545 1HA GLY 79 1HA GLY 79 28.451 -9.336 14.214 546 2HA GLY 79 2HA GLY 79 29.427 -7.937 13.812 547 H ARG 80 HN ARG 80 26.916 -8.010 16.383 548 HA ARG 80 HA ARG 80 28.924 -7.171 18.232 549 1HB ARG 80 2HB ARG 80 26.741 -6.053 18.291 550 2HB ARG 80 3HB ARG 80 25.905 -7.582 18.476 551 1HG ARG 80 2HG ARG 80 26.018 -7.251 20.720 552 2HG ARG 80 3HG ARG 80 27.731 -7.603 20.604 553 1HD ARG 80 2HD ARG 80 28.341 -5.394 20.847 554 2HD ARG 80 3HD ARG 80 27.018 -4.810 19.858 555 HE ARG 80 HE ARG 80 26.209 -5.885 22.482 556 1HH1 ARG 80 2HH2 ARG 80 27.122 -3.028 20.640 557 2HH1 ARG 80 1HH2 ARG 80 26.384 -1.921 21.749 558 1HH2 ARG 80 2HH1 ARG 80 25.235 -4.424 23.944 559 2HH2 ARG 80 1HH1 ARG 80 25.304 -2.720 23.641 560 H GLU 81 HN GLU 81 30.033 -8.573 19.564 561 HA GLU 81 HA GLU 81 29.615 -11.289 19.457 562 1HB GLU 81 2HB GLU 81 30.999 -9.702 21.664 563 2HB GLU 81 3HB GLU 81 31.230 -11.406 21.331 564 1HG GLU 81 2HG GLU 81 32.489 -11.015 19.415 565 2HG GLU 81 3HG GLU 81 31.633 -9.538 19.017 566 H PHE 82 HN PHE 82 28.645 -12.811 20.893 567 HA PHE 82 HA PHE 82 27.551 -12.186 23.351 568 1HB PHE 82 2HB PHE 82 25.881 -10.791 22.367 569 2HB PHE 82 3HB PHE 82 25.880 -11.695 20.866 570 HD1 PHE 82 HD1 PHE 82 25.089 -12.334 24.467 571 HD2 PHE 82 HD2 PHE 82 23.968 -12.882 20.411 572 HE1 PHE 82 HE1 PHE 82 23.023 -13.554 25.203 573 HE2 PHE 82 HE2 PHE 82 21.902 -14.103 21.148 574 HZ PHE 82 HZ PHE 82 21.454 -14.424 23.535 575 H SER 83 HN SER 83 27.186 -14.116 24.373 576 HA SER 83 HA SER 83 26.755 -16.225 24.692 577 1HB SER 83 2HB SER 83 24.960 -15.642 22.706 578 2HB SER 83 3HB SER 83 25.887 -16.902 21.915 579 HG SER 83 HG SER 83 25.454 -17.818 24.385 580 H GLY 84 HN GLY 84 29.277 -15.102 23.416 581 1HA GLY 84 1HA GLY 84 31.305 -16.041 23.003 582 2HA GLY 84 2HA GLY 84 30.568 -17.630 22.939 583 H ARG 85 HN ARG 85 28.749 -15.516 20.983 584 HA ARG 85 HA ARG 85 30.350 -16.270 18.671 585 1HB ARG 85 2HB ARG 85 27.745 -17.157 19.296 586 2HB ARG 85 3HB ARG 85 27.475 -15.891 18.114 587 1HG ARG 85 2HG ARG 85 29.293 -17.032 16.673 588 2HG ARG 85 3HG ARG 85 29.207 -18.379 17.791 589 1HD ARG 85 2HD ARG 85 26.510 -17.604 16.993 590 2HD ARG 85 3HD ARG 85 27.493 -17.859 15.565 591 HE ARG 85 HE ARG 85 27.930 -19.987 17.474 592 1HH1 ARG 85 2HH2 ARG 85 25.609 -18.819 15.101 593 2HH1 ARG 85 1HH2 ARG 85 24.943 -20.388 14.792 594 1HH2 ARG 85 2HH1 ARG 85 27.052 -22.057 17.067 595 2HH2 ARG 85 1HH1 ARG 85 25.770 -22.242 15.918 596 H ALA 86 HN ALA 86 28.503 -14.883 16.806 597 HA ALA 86 HA ALA 86 28.854 -12.107 17.704 598 1HB ALA 86 1HB ALA 86 29.885 -13.524 15.290 599 2HB ALA 86 2HB ALA 86 29.213 -11.897 15.028 600 3HB ALA 86 3HB ALA 86 30.555 -12.131 16.174 601 H LEU 87 HN LEU 87 27.202 -10.659 17.086 602 HA LEU 87 HA LEU 87 24.787 -12.018 16.167 603 1HB LEU 87 2HB LEU 87 25.177 -10.448 18.312 604 2HB LEU 87 3HB LEU 87 24.732 -9.219 17.145 605 HG LEU 87 HG LEU 87 22.840 -11.307 16.851 606 1HD1 LEU 87 1HD1 LEU 87 22.035 -10.877 19.426 607 2HD1 LEU 87 2HD1 LEU 87 22.863 -12.340 18.839 608 3HD1 LEU 87 3HD1 LEU 87 23.797 -11.041 19.620 609 1HD2 LEU 87 1HD2 LEU 87 22.137 -8.881 18.422 610 2HD2 LEU 87 2HD2 LEU 87 22.810 -8.633 16.793 611 3HD2 LEU 87 3HD2 LEU 87 21.340 -9.613 17.009 612 H ARG 88 HN ARG 88 25.286 -12.172 13.924 613 HA ARG 88 HA ARG 88 26.140 -9.920 12.503 614 1HB ARG 88 2HB ARG 88 25.906 -12.649 11.992 615 2HB ARG 88 3HB ARG 88 24.641 -11.989 10.975 616 1HG ARG 88 2HG ARG 88 26.248 -10.462 9.887 617 2HG ARG 88 3HG ARG 88 27.522 -10.973 10.976 618 1HD ARG 88 2HD ARG 88 26.986 -13.402 10.061 619 2HD ARG 88 3HD ARG 88 26.207 -12.551 8.741 620 HE ARG 88 HE ARG 88 28.694 -11.307 8.981 621 1HH1 ARG 88 2HH2 ARG 88 27.593 -14.608 8.458 622 2HH1 ARG 88 1HH2 ARG 88 28.997 -15.069 7.554 623 1HH2 ARG 88 2HH1 ARG 88 30.547 -11.914 7.788 624 2HH2 ARG 88 1HH1 ARG 88 30.688 -13.526 7.171 625 H VAL 89 HN VAL 89 24.772 -8.111 12.657 626 HA VAL 89 HA VAL 89 21.946 -8.564 12.019 627 HB VAL 89 HB VAL 89 23.300 -6.197 13.328 628 1HG1 VAL 89 1HG1 VAL 89 21.007 -6.028 12.017 629 2HG1 VAL 89 2HG1 VAL 89 20.361 -6.759 13.506 630 3HG1 VAL 89 3HG1 VAL 89 21.237 -5.211 13.582 631 1HG2 VAL 89 1HG2 VAL 89 23.267 -7.309 15.259 632 2HG2 VAL 89 2HG2 VAL 89 21.518 -7.595 15.084 633 3HG2 VAL 89 3HG2 VAL 89 22.683 -8.760 14.409 634 H ASP 90 HN ASP 90 21.236 -8.012 10.026 635 HA ASP 90 HA ASP 90 22.659 -5.872 8.686 636 1HB ASP 90 2HB ASP 90 21.818 -7.844 6.740 637 2HB ASP 90 3HB ASP 90 23.426 -7.205 7.019 638 H ASN 91 HN ASN 91 21.218 -4.543 7.462 639 HA ASN 91 HA ASN 91 18.676 -4.319 8.085 640 1HB ASN 91 2HB ASN 91 20.340 -3.228 6.121 641 2HB ASN 91 3HB ASN 91 19.070 -3.954 5.155 642 1HD2 ASN 91 1HD2 ASN 91 17.128 -3.032 5.022 643 2HD2 ASN 91 2HD2 ASN 91 16.621 -1.608 5.867 644 H ALA 92 HN ALA 92 16.783 -5.526 7.789 645 HA ALA 92 HA ALA 92 16.913 -8.031 6.501 646 1HB ALA 92 1HB ALA 92 14.615 -8.233 7.187 647 2HB ALA 92 2HB ALA 92 15.473 -7.359 8.479 648 3HB ALA 92 3HB ALA 92 14.442 -6.467 7.335 649 H ALA 93 HN ALA 93 16.658 -4.857 5.281 650 HA ALA 93 HA ALA 93 14.997 -5.637 3.026 651 1HB ALA 93 1HB ALA 93 15.082 -3.351 4.423 652 2HB ALA 93 2HB ALA 93 16.347 -2.969 3.231 653 3HB ALA 93 3HB ALA 93 14.703 -3.378 2.684 654 H SER 94 HN SER 94 17.708 -6.860 3.612 655 HA SER 94 HA SER 94 19.416 -5.711 1.650 656 1HB SER 94 2HB SER 94 19.568 -7.800 3.726 657 2HB SER 94 3HB SER 94 20.421 -8.253 2.264 658 HG SER 94 HG SER 94 21.948 -7.106 3.359 659 H GLU 95 HN GLU 95 20.115 -6.776 -0.347 660 HA GLU 95 HA GLU 95 17.986 -7.928 -1.722 661 1HB GLU 95 2HB GLU 95 20.294 -6.664 -2.442 662 2HB GLU 95 3HB GLU 95 20.756 -8.320 -2.778 663 1HG GLU 95 2HG GLU 95 18.290 -8.347 -3.919 664 2HG GLU 95 3HG GLU 95 18.634 -6.636 -4.079 665 H LYS 96 HN LYS 96 20.813 -9.267 0.007 666 HA LYS 96 HA LYS 96 20.340 -11.918 -1.001 667 1HB LYS 96 2HB LYS 96 22.308 -12.512 0.078 668 2HB LYS 96 3HB LYS 96 22.600 -10.846 -0.381 669 1HG LYS 96 2HG LYS 96 22.009 -10.070 1.889 670 2HG LYS 96 3HG LYS 96 21.565 -11.697 2.364 671 1HD LYS 96 2HD LYS 96 23.752 -12.367 2.630 672 2HD LYS 96 3HD LYS 96 24.309 -11.468 1.232 673 1HE LYS 96 2HE LYS 96 23.429 -9.948 3.700 674 2HE LYS 96 3HE LYS 96 25.008 -10.709 3.687 675 1HZ LYS 96 1HZ LYS 96 24.845 -8.368 2.832 676 2HZ LYS 96 2HZ LYS 96 25.661 -9.422 1.889 677 3HZ LYS 96 3HZ LYS 96 24.140 -8.980 1.491 678 H ASN 97 HN ASN 97 19.526 -9.933 1.845 679 HA ASN 97 HA ASN 97 18.694 -12.108 3.407 680 1HB ASN 97 2HB ASN 97 18.080 -9.114 3.489 681 2HB ASN 97 3HB ASN 97 17.442 -10.222 4.687 682 1HD2 ASN 97 1HD2 ASN 97 18.686 -8.733 6.079 683 2HD2 ASN 97 2HD2 ASN 97 20.348 -9.090 6.413 684 H LYS 98 HN LYS 98 17.368 -10.328 0.705 685 HA LYS 98 HA LYS 98 14.630 -10.555 1.287 686 1HB LYS 98 2HB LYS 98 15.528 -8.975 -0.346 687 2HB LYS 98 3HB LYS 98 16.092 -10.291 -1.357 688 1HG LYS 98 2HG LYS 98 13.806 -11.055 -1.767 689 2HG LYS 98 3HG LYS 98 13.163 -9.947 -0.572 690 1HD LYS 98 2HD LYS 98 12.837 -8.505 -2.306 691 2HD LYS 98 3HD LYS 98 14.566 -8.223 -2.243 692 1HE LYS 98 2HE LYS 98 14.584 -10.482 -3.752 693 2HE LYS 98 3HE LYS 98 12.983 -9.904 -4.169 694 1HZ LYS 98 1HZ LYS 98 13.876 -8.332 -5.404 695 2HZ LYS 98 2HZ LYS 98 14.848 -7.797 -4.205 696 3HZ LYS 98 3HZ LYS 98 15.345 -9.010 -5.180 697 H GLU 99 HN GLU 99 17.020 -12.716 -0.303 698 HA GLU 99 HA GLU 99 15.154 -14.535 -1.251 699 1HB GLU 99 2HB GLU 99 18.084 -14.409 -0.866 700 2HB GLU 99 3HB GLU 99 17.446 -16.038 -0.755 701 1HG GLU 99 2HG GLU 99 17.981 -15.625 -3.085 702 2HG GLU 99 3HG GLU 99 16.235 -15.668 -2.947 703 H GLU 100 HN GLU 100 16.730 -14.101 1.927 704 HA GLU 100 HA GLU 100 15.946 -16.619 2.907 705 1HB GLU 100 2HB GLU 100 16.995 -14.066 4.152 706 2HB GLU 100 3HB GLU 100 16.424 -15.365 5.180 707 1HG GLU 100 2HG GLU 100 18.042 -16.687 3.299 708 2HG GLU 100 3HG GLU 100 18.903 -15.189 3.592 709 H LEU 101 HN LEU 101 14.591 -13.280 3.066 710 HA LEU 101 HA LEU 101 12.517 -13.897 4.847 711 1HB LEU 101 2HB LEU 101 13.060 -11.705 2.876 712 2HB LEU 101 3HB LEU 101 11.500 -11.804 3.667 713 HG LEU 101 HG LEU 101 13.558 -12.045 5.659 714 1HD1 LEU 101 1HD1 LEU 101 14.172 -9.444 5.144 715 2HD1 LEU 101 2HD1 LEU 101 15.204 -10.834 4.730 716 3HD1 LEU 101 3HD1 LEU 101 14.132 -10.123 3.499 717 1HD2 LEU 101 1HD2 LEU 101 11.071 -11.138 5.625 718 2HD2 LEU 101 2HD2 LEU 101 12.268 -10.549 6.804 719 3HD2 LEU 101 3HD2 LEU 101 11.895 -9.583 5.356 720 H LYS 102 HN LYS 102 12.947 -14.320 1.341 721 HA LYS 102 HA LYS 102 10.310 -14.605 0.590 722 1HB LYS 102 2HB LYS 102 12.334 -14.473 -0.892 723 2HB LYS 102 3HB LYS 102 12.683 -16.144 -0.499 724 1HG LYS 102 2HG LYS 102 9.975 -15.290 -1.603 725 2HG LYS 102 3HG LYS 102 11.315 -15.693 -2.658 726 1HD LYS 102 2HD LYS 102 11.249 -17.817 -0.799 727 2HD LYS 102 3HD LYS 102 9.559 -17.478 -1.114 728 1HE LYS 102 2HE LYS 102 10.644 -17.365 -3.673 729 2HE LYS 102 3HE LYS 102 11.626 -18.608 -2.924 730 1HZ LYS 102 1HZ LYS 102 8.724 -18.569 -3.259 731 2HZ LYS 102 2HZ LYS 102 9.789 -19.713 -3.732 732 3HZ LYS 102 3HZ LYS 102 9.422 -19.544 -2.150 733 H SER 103 HN SER 103 12.402 -16.709 2.507 734 HA SER 103 HA SER 103 10.635 -18.936 2.174 735 1HB SER 103 2HB SER 103 13.183 -18.432 3.734 736 2HB SER 103 3HB SER 103 12.219 -19.856 4.069 737 HG SER 103 HG SER 103 12.341 -20.061 1.536 738 H LEU 104 HN LEU 104 11.376 -16.355 4.543 739 HA LEU 104 HA LEU 104 9.680 -17.511 6.553 740 1HB LEU 104 2HB LEU 104 11.806 -15.756 6.532 741 2HB LEU 104 3HB LEU 104 10.442 -14.701 6.840 742 HG LEU 104 HG LEU 104 9.849 -15.874 8.831 743 1HD1 LEU 104 1HD1 LEU 104 11.702 -17.999 7.801 744 2HD1 LEU 104 2HD1 LEU 104 11.387 -17.853 9.547 745 3HD1 LEU 104 3HD1 LEU 104 10.039 -18.138 8.420 746 1HD2 LEU 104 1HD2 LEU 104 11.622 -14.276 9.138 747 2HD2 LEU 104 2HD2 LEU 104 11.926 -15.686 10.182 748 3HD2 LEU 104 3HD2 LEU 104 12.848 -15.480 8.674 749 H GLY 105 HN GLY 105 9.179 -15.877 3.625 750 1HA GLY 105 1HA GLY 105 7.502 -14.577 2.812 751 2HA GLY 105 2HA GLY 105 6.512 -15.785 3.606 752 H THR 106 HN THR 106 7.860 -12.507 3.802 753 HA THR 106 HA THR 106 7.352 -11.685 6.306 754 HB THR 106 HB THR 106 8.235 -10.202 4.580 755 HG1 THR 106 HG1 THR 106 6.722 -9.408 6.361 756 1HG2 THR 106 1HG2 THR 106 7.292 -10.082 2.505 757 2HG2 THR 106 2HG2 THR 106 5.992 -11.177 3.035 758 3HG2 THR 106 3HG2 THR 106 5.808 -9.417 3.230 759 H GLY 107 HN GLY 107 5.758 -12.627 7.521 760 1HA GLY 107 1HA GLY 107 3.547 -11.952 8.290 761 2HA GLY 107 2HA GLY 107 2.999 -12.034 6.628 762 H ALA 108 HN ALA 108 1.357 -13.532 7.762 763 HA ALA 108 HA ALA 108 0.552 -15.622 7.677 764 1HB ALA 108 1HB ALA 108 1.718 -17.359 6.686 765 2HB ALA 108 2HB ALA 108 2.635 -15.969 6.057 766 3HB ALA 108 3HB ALA 108 3.263 -16.896 7.441 767 HA PRO 109 HA PRO 109 1.906 -15.733 11.986 768 1HB PRO 109 2HB PRO 109 -0.495 -15.104 13.130 769 2HB PRO 109 3HB PRO 109 0.737 -13.911 12.771 770 1HG PRO 109 2HG PRO 109 -1.797 -14.446 11.345 771 2HG PRO 109 3HG PRO 109 -0.778 -13.022 11.276 772 1HD PRO 109 2HD PRO 109 -0.961 -15.098 9.305 773 2HD PRO 109 3HD PRO 109 0.140 -13.735 9.292 774 H VAL 110 HN VAL 110 1.752 -17.357 13.546 775 HA VAL 110 HA VAL 110 -0.316 -19.331 12.943 776 HB VAL 110 HB VAL 110 1.804 -19.890 11.738 777 1HG1 VAL 110 1HG1 VAL 110 3.168 -19.009 13.837 778 2HG1 VAL 110 2HG1 VAL 110 3.039 -20.711 14.340 779 3HG1 VAL 110 3HG1 VAL 110 3.806 -20.297 12.788 780 1HG2 VAL 110 1HG2 VAL 110 0.171 -21.553 13.433 781 2HG2 VAL 110 2HG2 VAL 110 0.924 -21.935 11.866 782 3HG2 VAL 110 3HG2 VAL 110 1.828 -22.199 13.376 783 H ILE 111 HN ILE 111 -0.928 -20.618 14.769 784 HA ILE 111 HA ILE 111 0.425 -20.199 17.261 785 HB ILE 111 HB ILE 111 -0.951 -18.138 16.978 786 1HG1 ILE 111 2HG1 ILE 111 -0.253 -19.208 19.187 787 2HG1 ILE 111 3HG1 ILE 111 -1.558 -18.040 19.236 788 1HG2 ILE 111 1HG2 ILE 111 -2.982 -18.381 16.094 789 2HG2 ILE 111 2HG2 ILE 111 -3.026 -20.124 16.453 790 3HG2 ILE 111 3HG2 ILE 111 -3.496 -18.947 17.701 791 1HD1 ILE 111 1HD1 ILE 111 -2.697 -20.649 18.723 792 2HD1 ILE 111 2HD1 ILE 111 -1.605 -20.758 20.125 793 3HD1 ILE 111 3HD1 ILE 111 -2.945 -19.586 20.129 Start of MODEL 14 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.679 0.841 -1.816 3 1HB ASP 8 2HB ASP 8 3.720 0.385 0.071 4 2HB ASP 8 3HB ASP 8 4.074 -0.769 -1.200 5 HA PRO 9 HA PRO 9 2.324 -3.823 -2.655 6 1HB PRO 9 2HB PRO 9 2.117 -5.608 -0.595 7 2HB PRO 9 3HB PRO 9 3.648 -4.968 -1.158 8 1HG PRO 9 2HG PRO 9 2.138 -4.276 1.287 9 2HG PRO 9 3HG PRO 9 3.826 -3.983 0.919 10 1HD PRO 9 2HD PRO 9 1.697 -2.062 0.855 11 2HD PRO 9 3HD PRO 9 3.361 -1.798 0.376 12 H ALA 10 HN ALA 10 0.316 -4.596 0.116 13 HA ALA 10 HA ALA 10 -2.085 -4.176 -1.370 14 1HB ALA 10 1HB ALA 10 -0.868 -6.921 -1.113 15 2HB ALA 10 2HB ALA 10 -2.638 -6.739 -1.058 16 3HB ALA 10 3HB ALA 10 -1.731 -6.188 -2.487 17 H VAL 11 HN VAL 11 -0.714 -3.399 1.171 18 HA VAL 11 HA VAL 11 -2.179 -4.815 3.212 19 HB VAL 11 HB VAL 11 -0.396 -2.377 3.362 20 1HG1 VAL 11 1HG1 VAL 11 -1.144 -2.255 5.468 21 2HG1 VAL 11 2HG1 VAL 11 -1.991 -3.815 5.338 22 3HG1 VAL 11 3HG1 VAL 11 -0.265 -3.773 5.769 23 1HG2 VAL 11 1HG2 VAL 11 1.449 -3.745 3.689 24 2HG2 VAL 11 2HG2 VAL 11 0.460 -5.153 4.144 25 3HG2 VAL 11 3HG2 VAL 11 0.547 -4.640 2.442 26 H ASP 12 HN ASP 12 -2.357 -1.801 1.323 27 HA ASP 12 HA ASP 12 -4.149 -0.483 2.970 28 1HB ASP 12 2HB ASP 12 -2.789 0.251 0.801 29 2HB ASP 12 3HB ASP 12 -4.239 -0.244 -0.049 30 H ARG 13 HN ARG 13 -4.588 -2.546 0.001 31 HA ARG 13 HA ARG 13 -7.362 -2.381 0.030 32 1HB ARG 13 2HB ARG 13 -5.686 -3.173 -1.847 33 2HB ARG 13 3HB ARG 13 -5.821 -4.751 -1.098 34 1HG ARG 13 2HG ARG 13 -7.792 -5.109 -2.154 35 2HG ARG 13 3HG ARG 13 -8.490 -3.711 -1.360 36 1HD ARG 13 2HD ARG 13 -8.118 -2.306 -3.181 37 2HD ARG 13 3HD ARG 13 -6.661 -3.146 -3.676 38 HE ARG 13 HE ARG 13 -8.602 -5.038 -4.145 39 1HH1 ARG 13 2HH2 ARG 13 -8.309 -1.651 -5.052 40 2HH1 ARG 13 1HH2 ARG 13 -9.223 -1.831 -6.513 41 1HH2 ARG 13 2HH1 ARG 13 -9.807 -5.276 -6.072 42 2HH2 ARG 13 1HH1 ARG 13 -10.080 -3.907 -7.097 43 H SER 14 HN SER 14 -4.984 -4.691 1.439 44 HA SER 14 HA SER 14 -6.769 -6.657 2.158 45 1HB SER 14 2HB SER 14 -4.057 -5.773 3.128 46 2HB SER 14 3HB SER 14 -4.929 -6.950 4.090 47 HG SER 14 HG SER 14 -4.534 -8.467 2.627 48 H LEU 15 HN LEU 15 -5.708 -3.651 3.848 49 HA LEU 15 HA LEU 15 -7.268 -4.258 6.174 50 1HB LEU 15 2HB LEU 15 -5.879 -1.707 5.343 51 2HB LEU 15 3HB LEU 15 -6.546 -2.052 6.926 52 HG LEU 15 HG LEU 15 -4.430 -3.850 5.770 53 1HD1 LEU 15 1HD1 LEU 15 -3.876 -1.259 7.242 54 2HD1 LEU 15 2HD1 LEU 15 -2.676 -2.476 6.744 55 3HD1 LEU 15 3HD1 LEU 15 -3.577 -1.558 5.513 56 1HD2 LEU 15 1HD2 LEU 15 -5.601 -3.283 8.455 57 2HD2 LEU 15 2HD2 LEU 15 -5.140 -4.829 7.702 58 3HD2 LEU 15 3HD2 LEU 15 -3.887 -3.753 8.367 59 H ARG 16 HN ARG 16 -7.954 -3.186 3.016 60 HA ARG 16 HA ARG 16 -10.178 -1.581 3.931 61 1HB ARG 16 2HB ARG 16 -8.897 -0.580 2.119 62 2HB ARG 16 3HB ARG 16 -8.938 -2.060 1.182 63 1HG ARG 16 2HG ARG 16 -11.605 -1.699 1.417 64 2HG ARG 16 3HG ARG 16 -11.118 -0.028 1.622 65 1HD ARG 16 2HD ARG 16 -9.744 -1.412 -0.627 66 2HD ARG 16 3HD ARG 16 -11.480 -1.287 -0.827 67 HE ARG 16 HE ARG 16 -10.847 1.259 -0.051 68 1HH1 ARG 16 2HH2 ARG 16 -9.445 -0.864 -2.482 69 2HH1 ARG 16 1HH2 ARG 16 -8.938 0.436 -3.509 70 1HH2 ARG 16 2HH1 ARG 16 -10.179 2.974 -1.405 71 2HH2 ARG 16 1HH1 ARG 16 -9.359 2.633 -2.892 72 H SER 17 HN SER 17 -11.372 -3.471 4.809 73 HA SER 17 HA SER 17 -13.395 -4.337 3.372 74 1HB SER 17 2HB SER 17 -10.970 -5.946 2.670 75 2HB SER 17 3HB SER 17 -12.440 -6.858 2.954 76 HG SER 17 HG SER 17 -12.519 -6.354 0.788 77 H VAL 18 HN VAL 18 -14.763 -5.117 4.944 78 HA VAL 18 HA VAL 18 -13.498 -6.529 7.191 79 HB VAL 18 HB VAL 18 -15.750 -5.575 8.278 80 1HG1 VAL 18 1HG1 VAL 18 -13.238 -5.283 8.875 81 2HG1 VAL 18 2HG1 VAL 18 -13.389 -3.712 8.051 82 3HG1 VAL 18 3HG1 VAL 18 -14.408 -4.079 9.465 83 1HG2 VAL 18 1HG2 VAL 18 -16.385 -3.440 7.512 84 2HG2 VAL 18 2HG2 VAL 18 -14.959 -3.296 6.456 85 3HG2 VAL 18 3HG2 VAL 18 -16.265 -4.430 6.037 86 H PHE 19 HN PHE 19 -14.144 -8.602 7.487 87 HA PHE 19 HA PHE 19 -16.152 -9.650 5.743 88 1HB PHE 19 2HB PHE 19 -14.198 -11.006 6.255 89 2HB PHE 19 3HB PHE 19 -14.296 -10.636 7.965 90 HD1 PHE 19 HD1 PHE 19 -15.112 -12.988 5.437 91 HD2 PHE 19 HD2 PHE 19 -16.341 -11.570 9.244 92 HE1 PHE 19 HE1 PHE 19 -16.368 -15.125 5.828 93 HE2 PHE 19 HE2 PHE 19 -17.597 -13.708 9.634 94 HZ PHE 19 HZ PHE 19 -17.596 -15.460 7.922 95 H VAL 20 HN VAL 20 -18.281 -10.068 6.183 96 HA VAL 20 HA VAL 20 -19.112 -9.681 8.976 97 HB VAL 20 HB VAL 20 -20.813 -9.277 6.520 98 1HG1 VAL 20 1HG1 VAL 20 -22.264 -8.042 7.989 99 2HG1 VAL 20 2HG1 VAL 20 -21.911 -9.612 8.751 100 3HG1 VAL 20 3HG1 VAL 20 -21.087 -8.141 9.321 101 1HG2 VAL 20 1HG2 VAL 20 -20.327 -6.747 7.249 102 2HG2 VAL 20 2HG2 VAL 20 -18.776 -7.469 7.739 103 3HG2 VAL 20 3HG2 VAL 20 -19.329 -7.606 6.052 104 H GLY 21 HN GLY 21 -20.212 -11.327 9.974 105 1HA GLY 21 1HA GLY 21 -21.102 -13.568 8.267 106 2HA GLY 21 2HA GLY 21 -20.114 -13.837 9.689 107 H ASN 22 HN ASN 22 -22.292 -15.201 9.986 108 HA ASN 22 HA ASN 22 -24.057 -15.550 11.193 109 1HB ASN 22 2HB ASN 22 -22.638 -14.236 12.930 110 2HB ASN 22 3HB ASN 22 -23.633 -12.844 12.552 111 1HD2 ASN 22 1HD2 ASN 22 -23.493 -13.917 15.080 112 2HD2 ASN 22 2HD2 ASN 22 -25.012 -14.616 15.531 113 H ILE 23 HN ILE 23 -24.153 -13.893 8.658 114 HA ILE 23 HA ILE 23 -26.461 -12.182 9.192 115 HB ILE 23 HB ILE 23 -25.076 -12.377 6.550 116 1HG1 ILE 23 2HG1 ILE 23 -24.035 -10.752 8.889 117 2HG1 ILE 23 3HG1 ILE 23 -23.286 -12.211 8.272 118 1HG2 ILE 23 1HG2 ILE 23 -26.398 -10.664 6.075 119 2HG2 ILE 23 2HG2 ILE 23 -27.120 -10.777 7.698 120 3HG2 ILE 23 3HG2 ILE 23 -25.708 -9.728 7.422 121 1HD1 ILE 23 1HD1 ILE 23 -23.346 -9.469 7.102 122 2HD1 ILE 23 2HD1 ILE 23 -22.098 -10.732 6.979 123 3HD1 ILE 23 3HD1 ILE 23 -23.541 -10.802 5.938 124 HA PRO 24 HA PRO 24 -28.826 -15.531 7.662 125 1HB PRO 24 2HB PRO 24 -31.277 -14.538 8.349 126 2HB PRO 24 3HB PRO 24 -30.277 -15.466 9.449 127 1HG PRO 24 2HG PRO 24 -30.785 -12.554 9.416 128 2HG PRO 24 3HG PRO 24 -30.156 -13.544 10.718 129 1HD PRO 24 2HD PRO 24 -28.654 -11.795 9.012 130 2HD PRO 24 3HD PRO 24 -28.011 -12.871 10.236 131 H TYR 25 HN TYR 25 -30.953 -15.740 6.263 132 HA TYR 25 HA TYR 25 -30.268 -14.365 3.868 133 1HB TYR 25 2HB TYR 25 -32.794 -15.920 4.699 134 2HB TYR 25 3HB TYR 25 -32.230 -15.697 3.055 135 HD1 TYR 25 HD1 TYR 25 -30.366 -17.010 2.170 136 HD2 TYR 25 HD2 TYR 25 -31.709 -17.533 6.199 137 HE1 TYR 25 HE1 TYR 25 -29.062 -19.187 2.330 138 HE2 TYR 25 HE2 TYR 25 -30.400 -19.708 6.345 139 HH TYR 25 HH TYR 25 -29.256 -21.304 3.683 140 H GLU 26 HN GLU 26 -31.860 -13.304 6.633 141 HA GLU 26 HA GLU 26 -33.849 -11.804 5.181 142 1HB GLU 26 2HB GLU 26 -33.483 -12.723 7.927 143 2HB GLU 26 3HB GLU 26 -33.829 -11.006 7.905 144 1HG GLU 26 2HG GLU 26 -35.983 -11.315 7.184 145 2HG GLU 26 3HG GLU 26 -35.526 -12.553 6.031 146 H ALA 27 HN ALA 27 -30.567 -11.531 6.007 147 HA ALA 27 HA ALA 27 -30.751 -8.595 6.008 148 1HB ALA 27 1HB ALA 27 -28.255 -9.101 6.941 149 2HB ALA 27 2HB ALA 27 -29.678 -8.943 7.997 150 3HB ALA 27 3HB ALA 27 -29.096 -10.557 7.524 151 H THR 28 HN THR 28 -30.681 -8.187 3.795 152 HA THR 28 HA THR 28 -28.640 -9.553 2.226 153 HB THR 28 HB THR 28 -29.915 -8.772 0.351 154 HG1 THR 28 HG1 THR 28 -31.147 -6.979 2.321 155 1HG2 THR 28 1HG2 THR 28 -32.242 -8.662 2.238 156 2HG2 THR 28 2HG2 THR 28 -32.030 -9.634 0.762 157 3HG2 THR 28 3HG2 THR 28 -31.279 -10.158 2.288 158 H GLU 29 HN GLU 29 -27.550 -8.004 0.504 159 HA GLU 29 HA GLU 29 -25.756 -6.502 1.945 160 1HB GLU 29 2HB GLU 29 -26.438 -6.819 -0.965 161 2HB GLU 29 3HB GLU 29 -25.403 -5.475 -0.526 162 1HG GLU 29 2HG GLU 29 -23.861 -7.051 0.661 163 2HG GLU 29 3HG GLU 29 -24.895 -8.395 0.219 164 H GLU 30 HN GLU 30 -28.897 -5.666 0.524 165 HA GLU 30 HA GLU 30 -28.538 -2.919 0.423 166 1HB GLU 30 2HB GLU 30 -30.538 -4.694 -0.269 167 2HB GLU 30 3HB GLU 30 -31.267 -3.883 1.103 168 1HG GLU 30 2HG GLU 30 -29.978 -1.878 -0.531 169 2HG GLU 30 3HG GLU 30 -30.939 -2.895 -1.586 170 H GLN 31 HN GLN 31 -29.339 -5.159 3.075 171 HA GLN 31 HA GLN 31 -30.016 -2.975 4.809 172 1HB GLN 31 2HB GLN 31 -29.904 -5.991 5.139 173 2HB GLN 31 3HB GLN 31 -30.133 -4.939 6.521 174 1HG GLN 31 2HG GLN 31 -31.945 -3.982 4.547 175 2HG GLN 31 3HG GLN 31 -32.061 -5.729 4.469 176 1HE2 GLN 31 1HE2 GLN 31 -32.585 -2.875 6.346 177 2HE2 GLN 31 2HE2 GLN 31 -33.463 -3.581 7.661 178 H LEU 32 HN LEU 32 -27.401 -5.437 4.396 179 HA LEU 32 HA LEU 32 -25.918 -4.729 6.635 180 1HB LEU 32 2HB LEU 32 -25.314 -6.064 4.023 181 2HB LEU 32 3HB LEU 32 -24.004 -5.656 5.113 182 HG LEU 32 HG LEU 32 -26.353 -7.473 5.711 183 1HD1 LEU 32 1HD1 LEU 32 -24.524 -8.340 4.208 184 2HD1 LEU 32 2HD1 LEU 32 -23.412 -8.167 5.588 185 3HD1 LEU 32 3HD1 LEU 32 -24.802 -9.272 5.699 186 1HD2 LEU 32 1HD2 LEU 32 -26.036 -6.697 7.816 187 2HD2 LEU 32 2HD2 LEU 32 -24.721 -7.896 7.792 188 3HD2 LEU 32 3HD2 LEU 32 -24.364 -6.178 7.499 189 H LYS 33 HN LYS 33 -25.765 -3.530 3.220 190 HA LYS 33 HA LYS 33 -23.641 -1.787 3.616 191 1HB LYS 33 2HB LYS 33 -24.819 -2.611 1.452 192 2HB LYS 33 3HB LYS 33 -25.897 -1.250 1.690 193 1HG LYS 33 2HG LYS 33 -24.288 0.296 1.140 194 2HG LYS 33 3HG LYS 33 -23.024 -0.560 2.000 195 1HD LYS 33 2HD LYS 33 -22.269 -0.992 -0.133 196 2HD LYS 33 3HD LYS 33 -23.394 -2.331 -0.021 197 1HE LYS 33 2HE LYS 33 -25.116 -0.399 -0.881 198 2HE LYS 33 3HE LYS 33 -23.633 0.227 -1.574 199 1HZ LYS 33 1HZ LYS 33 -23.439 -2.321 -2.219 200 2HZ LYS 33 2HZ LYS 33 -25.066 -2.176 -2.222 201 3HZ LYS 33 3HZ LYS 33 -24.158 -1.212 -3.179 202 H ASP 34 HN ASP 34 -27.152 -1.463 4.254 203 HA ASP 34 HA ASP 34 -27.117 1.275 4.677 204 1HB ASP 34 2HB ASP 34 -29.014 -0.757 4.693 205 2HB ASP 34 3HB ASP 34 -28.961 -0.315 6.387 206 H ILE 35 HN ILE 35 -26.463 -1.594 6.746 207 HA ILE 35 HA ILE 35 -26.418 -0.187 9.195 208 HB ILE 35 HB ILE 35 -25.177 -2.827 8.412 209 1HG1 ILE 35 2HG1 ILE 35 -27.718 -2.672 9.952 210 2HG1 ILE 35 3HG1 ILE 35 -27.809 -2.253 8.253 211 1HG2 ILE 35 1HG2 ILE 35 -25.155 -3.344 10.775 212 2HG2 ILE 35 2HG2 ILE 35 -24.227 -1.855 10.477 213 3HG2 ILE 35 3HG2 ILE 35 -25.866 -1.759 11.163 214 1HD1 ILE 35 1HD1 ILE 35 -27.623 -4.424 7.634 215 2HD1 ILE 35 2HD1 ILE 35 -26.152 -4.632 8.615 216 3HD1 ILE 35 3HD1 ILE 35 -27.755 -4.855 9.356 217 H PHE 36 HN PHE 36 -23.873 -1.232 6.844 218 HA PHE 36 HA PHE 36 -21.758 -0.166 8.371 219 1HB PHE 36 2HB PHE 36 -22.340 -1.336 5.678 220 2HB PHE 36 3HB PHE 36 -21.007 -0.199 5.651 221 HD1 PHE 36 HD1 PHE 36 -21.236 -3.375 5.342 222 HD2 PHE 36 HD2 PHE 36 -19.857 -0.747 8.375 223 HE1 PHE 36 HE1 PHE 36 -19.693 -5.164 6.190 224 HE2 PHE 36 HE2 PHE 36 -18.315 -2.536 9.224 225 HZ PHE 36 HZ PHE 36 -18.251 -4.723 8.121 226 H SER 37 HN SER 37 -24.062 1.196 6.046 227 HA SER 37 HA SER 37 -22.557 3.378 5.257 228 1HB SER 37 2HB SER 37 -24.633 4.294 4.440 229 2HB SER 37 3HB SER 37 -24.714 2.558 4.220 230 HG SER 37 HG SER 37 -26.455 4.107 5.535 231 H GLU 38 HN GLU 38 -24.585 2.730 8.136 232 HA GLU 38 HA GLU 38 -24.632 5.409 8.991 233 1HB GLU 38 2HB GLU 38 -26.366 4.128 9.895 234 2HB GLU 38 3HB GLU 38 -25.342 2.735 10.180 235 1HG GLU 38 2HG GLU 38 -25.897 3.775 12.329 236 2HG GLU 38 3HG GLU 38 -24.181 3.967 12.026 237 H VAL 39 HN VAL 39 -22.160 3.043 8.869 238 HA VAL 39 HA VAL 39 -20.752 4.269 11.129 239 HB VAL 39 HB VAL 39 -19.788 1.833 9.694 240 1HG1 VAL 39 1HG1 VAL 39 -19.555 3.055 12.421 241 2HG1 VAL 39 2HG1 VAL 39 -19.384 1.291 12.254 242 3HG1 VAL 39 3HG1 VAL 39 -18.297 2.379 11.359 243 1HG2 VAL 39 1HG2 VAL 39 -21.223 0.534 11.449 244 2HG2 VAL 39 2HG2 VAL 39 -22.248 1.989 11.423 245 3HG2 VAL 39 3HG2 VAL 39 -21.971 1.068 9.925 246 H GLY 40 HN GLY 40 -21.250 4.957 8.010 247 1HA GLY 40 1HA GLY 40 -19.556 6.719 7.332 248 2HA GLY 40 2HA GLY 40 -18.402 5.401 7.368 249 HA PRO 41 HA PRO 41 -20.387 5.517 3.236 250 1HB PRO 41 2HB PRO 41 -18.224 6.243 1.731 251 2HB PRO 41 3HB PRO 41 -19.424 7.387 2.298 252 1HG PRO 41 2HG PRO 41 -16.678 6.937 3.294 253 2HG PRO 41 3HG PRO 41 -17.723 8.322 3.543 254 1HD PRO 41 2HD PRO 41 -17.153 6.241 5.433 255 2HD PRO 41 3HD PRO 41 -18.286 7.562 5.638 256 H VAL 42 HN VAL 42 -20.714 3.671 2.152 257 HA VAL 42 HA VAL 42 -18.532 1.740 2.466 258 HB VAL 42 HB VAL 42 -21.399 1.189 1.707 259 1HG1 VAL 42 1HG1 VAL 42 -20.154 -0.716 1.223 260 2HG1 VAL 42 2HG1 VAL 42 -19.047 -0.471 2.595 261 3HG1 VAL 42 3HG1 VAL 42 -20.711 -1.035 2.883 262 1HG2 VAL 42 1HG2 VAL 42 -21.846 0.681 4.065 263 2HG2 VAL 42 2HG2 VAL 42 -20.208 1.226 4.502 264 3HG2 VAL 42 3HG2 VAL 42 -21.389 2.389 3.853 265 H VAL 43 HN VAL 43 -17.431 0.996 0.702 266 HA VAL 43 HA VAL 43 -18.021 2.266 -1.811 267 HB VAL 43 HB VAL 43 -15.866 0.373 -0.865 268 1HG1 VAL 43 1HG1 VAL 43 -15.927 -0.119 -3.138 269 2HG1 VAL 43 2HG1 VAL 43 -16.416 1.532 -3.590 270 3HG1 VAL 43 3HG1 VAL 43 -14.745 1.210 -3.067 271 1HG2 VAL 43 1HG2 VAL 43 -15.772 3.330 -1.553 272 2HG2 VAL 43 2HG2 VAL 43 -15.801 2.650 0.091 273 3HG2 VAL 43 3HG2 VAL 43 -14.414 2.332 -0.979 274 H SER 44 HN SER 44 -17.202 -1.194 -1.105 275 HA SER 44 HA SER 44 -19.560 -1.899 -2.655 276 1HB SER 44 2HB SER 44 -16.964 -2.112 -3.640 277 2HB SER 44 3HB SER 44 -17.256 -3.722 -3.014 278 HG SER 44 HG SER 44 -18.845 -4.072 -4.481 279 H PHE 45 HN PHE 45 -19.986 -4.414 -2.382 280 HA PHE 45 HA PHE 45 -18.930 -5.581 -0.006 281 1HB PHE 45 2HB PHE 45 -20.803 -3.774 0.576 282 2HB PHE 45 3HB PHE 45 -21.922 -4.938 -0.104 283 HD1 PHE 45 HD1 PHE 45 -21.993 -3.934 2.722 284 HD2 PHE 45 HD2 PHE 45 -20.078 -7.312 1.010 285 HE1 PHE 45 HE1 PHE 45 -22.106 -5.118 4.932 286 HE2 PHE 45 HE2 PHE 45 -20.190 -8.495 3.221 287 HZ PHE 45 HZ PHE 45 -21.203 -7.384 5.155 288 H ARG 46 HN ARG 46 -18.678 -7.657 -0.675 289 HA ARG 46 HA ARG 46 -20.937 -8.803 -2.102 290 1HB ARG 46 2HB ARG 46 -17.984 -8.899 -2.783 291 2HB ARG 46 3HB ARG 46 -18.995 -10.262 -3.219 292 1HG ARG 46 2HG ARG 46 -20.009 -9.118 -4.916 293 2HG ARG 46 3HG ARG 46 -20.250 -7.690 -3.929 294 1HD ARG 46 2HD ARG 46 -18.293 -6.693 -4.645 295 2HD ARG 46 3HD ARG 46 -17.408 -8.205 -4.682 296 HE ARG 46 HE ARG 46 -19.480 -7.956 -6.761 297 1HH1 ARG 46 2HH2 ARG 46 -16.098 -7.455 -5.931 298 2HH1 ARG 46 1HH2 ARG 46 -15.563 -7.439 -7.578 299 1HH2 ARG 46 2HH1 ARG 46 -18.776 -7.935 -8.935 300 2HH2 ARG 46 1HH1 ARG 46 -17.097 -7.714 -9.298 301 H LEU 47 HN LEU 47 -21.510 -10.923 -1.447 302 HA LEU 47 HA LEU 47 -19.830 -12.037 0.692 303 1HB LEU 47 2HB LEU 47 -22.731 -12.669 0.542 304 2HB LEU 47 3HB LEU 47 -21.665 -12.575 1.930 305 HG LEU 47 HG LEU 47 -21.851 -9.949 0.841 306 1HD1 LEU 47 1HD1 LEU 47 -24.368 -11.493 0.652 307 2HD1 LEU 47 2HD1 LEU 47 -24.486 -9.905 1.447 308 3HD1 LEU 47 3HD1 LEU 47 -23.843 -10.025 -0.208 309 1HD2 LEU 47 1HD2 LEU 47 -22.621 -11.349 3.373 310 2HD2 LEU 47 2HD2 LEU 47 -21.441 -10.045 3.095 311 3HD2 LEU 47 3HD2 LEU 47 -23.183 -9.683 3.095 312 H VAL 48 HN VAL 48 -20.513 -14.546 0.946 313 HA VAL 48 HA VAL 48 -19.885 -15.661 -1.647 314 HB VAL 48 HB VAL 48 -19.789 -17.782 -0.183 315 1HG1 VAL 48 1HG1 VAL 48 -17.945 -15.636 -0.660 316 2HG1 VAL 48 2HG1 VAL 48 -17.644 -16.305 0.962 317 3HG1 VAL 48 3HG1 VAL 48 -17.616 -17.374 -0.462 318 1HG2 VAL 48 1HG2 VAL 48 -19.306 -16.017 2.156 319 2HG2 VAL 48 2HG2 VAL 48 -21.008 -16.266 1.697 320 3HG2 VAL 48 3HG2 VAL 48 -19.974 -17.665 2.076 321 H TYR 49 HN TYR 49 -21.390 -16.456 -3.018 322 HA TYR 49 HA TYR 49 -23.955 -17.278 -1.832 323 1HB TYR 49 2HB TYR 49 -23.122 -15.373 -3.976 324 2HB TYR 49 3HB TYR 49 -24.307 -16.528 -4.554 325 HD1 TYR 49 HD1 TYR 49 -23.699 -13.756 -2.201 326 HD2 TYR 49 HD2 TYR 49 -26.604 -16.486 -3.755 327 HE1 TYR 49 HE1 TYR 49 -25.564 -12.369 -1.171 328 HE2 TYR 49 HE2 TYR 49 -28.459 -15.089 -2.720 329 HH TYR 49 HH TYR 49 -28.688 -12.601 -2.071 330 H ASP 50 HN ASP 50 -24.360 -19.408 -2.118 331 HA ASP 50 HA ASP 50 -22.704 -20.920 -3.814 332 1HB ASP 50 2HB ASP 50 -25.052 -21.421 -2.005 333 2HB ASP 50 3HB ASP 50 -24.733 -22.637 -3.226 334 H ARG 51 HN ARG 51 -22.986 -20.842 -6.054 335 HA ARG 51 HA ARG 51 -25.437 -20.035 -7.159 336 1HB ARG 51 2HB ARG 51 -22.852 -21.152 -8.325 337 2HB ARG 51 3HB ARG 51 -24.225 -20.801 -9.354 338 1HG ARG 51 2HG ARG 51 -24.235 -18.440 -8.579 339 2HG ARG 51 3HG ARG 51 -22.914 -18.776 -7.478 340 1HD ARG 51 2HD ARG 51 -21.594 -18.063 -9.217 341 2HD ARG 51 3HD ARG 51 -21.813 -19.694 -9.820 342 HE ARG 51 HE ARG 51 -23.145 -18.844 -11.541 343 1HH1 ARG 51 2HH2 ARG 51 -22.983 -16.467 -8.951 344 2HH1 ARG 51 1HH2 ARG 51 -23.827 -15.247 -9.845 345 1HH2 ARG 51 2HH1 ARG 51 -24.259 -17.235 -12.720 346 2HH2 ARG 51 1HH1 ARG 51 -24.558 -15.687 -12.003 347 H GLU 52 HN GLU 52 -23.888 -23.134 -6.386 348 HA GLU 52 HA GLU 52 -25.481 -24.686 -8.104 349 1HB GLU 52 2HB GLU 52 -23.352 -25.095 -6.170 350 2HB GLU 52 3HB GLU 52 -24.616 -26.277 -5.898 351 1HG GLU 52 2HG GLU 52 -24.434 -26.296 -8.667 352 2HG GLU 52 3HG GLU 52 -22.771 -25.982 -8.211 353 H THR 53 HN THR 53 -25.891 -23.292 -4.881 354 HA THR 53 HA THR 53 -28.403 -24.804 -4.591 355 HB THR 53 HB THR 53 -28.058 -24.667 -2.223 356 HG1 THR 53 HG1 THR 53 -26.997 -22.862 -1.454 357 1HG2 THR 53 1HG2 THR 53 -25.882 -25.575 -1.814 358 2HG2 THR 53 2HG2 THR 53 -26.224 -26.052 -3.494 359 3HG2 THR 53 3HG2 THR 53 -25.160 -24.664 -3.162 360 H GLY 54 HN GLY 54 -27.187 -21.898 -5.683 361 1HA GLY 54 1HA GLY 54 -28.062 -19.846 -5.969 362 2HA GLY 54 2HA GLY 54 -29.619 -20.649 -5.954 363 H LYS 55 HN LYS 55 -27.665 -21.024 -3.065 364 HA LYS 55 HA LYS 55 -29.316 -18.978 -1.751 365 1HB LYS 55 2HB LYS 55 -28.634 -21.791 -0.951 366 2HB LYS 55 3HB LYS 55 -28.885 -20.584 0.294 367 1HG LYS 55 2HG LYS 55 -31.133 -20.671 0.009 368 2HG LYS 55 3HG LYS 55 -30.976 -20.311 -1.699 369 1HD LYS 55 2HD LYS 55 -30.130 -22.965 -1.583 370 2HD LYS 55 3HD LYS 55 -31.378 -22.924 -0.353 371 1HE LYS 55 2HE LYS 55 -31.779 -21.848 -3.184 372 2HE LYS 55 3HE LYS 55 -32.202 -23.480 -2.705 373 1HZ LYS 55 1HZ LYS 55 -33.418 -22.129 -0.821 374 2HZ LYS 55 2HZ LYS 55 -33.467 -20.992 -1.993 375 3HZ LYS 55 3HZ LYS 55 -34.130 -22.462 -2.253 376 HA PRO 56 HA PRO 56 -25.554 -17.243 -0.531 377 1HB PRO 56 2HB PRO 56 -26.380 -15.657 1.536 378 2HB PRO 56 3HB PRO 56 -26.545 -15.200 -0.148 379 1HG PRO 56 2HG PRO 56 -28.626 -16.137 1.731 380 2HG PRO 56 3HG PRO 56 -28.821 -15.286 0.211 381 1HD PRO 56 2HD PRO 56 -29.248 -18.084 0.678 382 2HD PRO 56 3HD PRO 56 -29.330 -17.255 -0.863 383 H LYS 57 HN LYS 57 -23.752 -17.708 0.629 384 HA LYS 57 HA LYS 57 -23.864 -19.910 2.285 385 1HB LYS 57 2HB LYS 57 -21.892 -18.065 1.302 386 2HB LYS 57 3HB LYS 57 -21.608 -18.335 3.010 387 1HG LYS 57 2HG LYS 57 -22.136 -20.655 1.112 388 2HG LYS 57 3HG LYS 57 -20.525 -19.996 1.316 389 1HD LYS 57 2HD LYS 57 -20.266 -21.239 3.191 390 2HD LYS 57 3HD LYS 57 -21.566 -20.346 3.953 391 1HE LYS 57 2HE LYS 57 -23.207 -21.933 2.762 392 2HE LYS 57 3HE LYS 57 -21.818 -22.896 2.296 393 1HZ LYS 57 1HZ LYS 57 -22.983 -23.485 4.430 394 2HZ LYS 57 2HZ LYS 57 -21.355 -23.378 4.499 395 3HZ LYS 57 3HZ LYS 57 -22.279 -22.169 5.092 396 H GLY 58 HN GLY 58 -23.488 -16.419 3.237 397 1HA GLY 58 1HA GLY 58 -25.250 -15.976 5.081 398 2HA GLY 58 2HA GLY 58 -24.308 -17.163 5.961 399 H TYR 59 HN TYR 59 -21.771 -16.224 4.460 400 HA TYR 59 HA TYR 59 -21.403 -13.735 5.989 401 1HB TYR 59 2HB TYR 59 -19.048 -14.628 6.264 402 2HB TYR 59 3HB TYR 59 -20.223 -15.743 6.932 403 HD1 TYR 59 HD1 TYR 59 -17.834 -15.163 4.193 404 HD2 TYR 59 HD2 TYR 59 -20.649 -17.906 5.883 405 HE1 TYR 59 HE1 TYR 59 -16.906 -17.027 2.733 406 HE2 TYR 59 HE2 TYR 59 -19.712 -19.760 4.418 407 HH TYR 59 HH TYR 59 -17.507 -19.087 1.850 408 H GLY 60 HN GLY 60 -19.776 -12.232 5.106 409 1HA GLY 60 1HA GLY 60 -18.875 -12.663 2.390 410 2HA GLY 60 2HA GLY 60 -20.140 -11.460 2.553 411 H PHE 61 HN PHE 61 -18.250 -10.086 1.667 412 HA PHE 61 HA PHE 61 -16.818 -9.001 3.981 413 1HB PHE 61 2HB PHE 61 -15.824 -9.467 1.104 414 2HB PHE 61 3HB PHE 61 -14.885 -8.671 2.351 415 HD1 PHE 61 HD1 PHE 61 -16.364 -11.900 1.340 416 HD2 PHE 61 HD2 PHE 61 -13.674 -9.927 3.962 417 HE1 PHE 61 HE1 PHE 61 -15.433 -14.119 2.055 418 HE2 PHE 61 HE2 PHE 61 -12.743 -12.145 4.677 419 HZ PHE 61 HZ PHE 61 -13.634 -14.215 3.715 420 H CYS 62 HN CYS 62 -16.757 -6.758 4.098 421 HA CYS 62 HA CYS 62 -18.121 -5.394 1.893 422 1HB CYS 62 2HB CYS 62 -19.317 -5.422 4.110 423 2HB CYS 62 3HB CYS 62 -17.992 -4.497 4.788 424 HG CYS 62 HG CYS 62 -19.345 -3.586 1.940 425 H GLU 63 HN GLU 63 -16.745 -4.143 0.680 426 HA GLU 63 HA GLU 63 -14.232 -3.400 1.921 427 1HB GLU 63 2HB GLU 63 -13.707 -4.417 -0.105 428 2HB GLU 63 3HB GLU 63 -15.164 -3.853 -0.898 429 1HG GLU 63 2HG GLU 63 -13.254 -1.717 -0.029 430 2HG GLU 63 3HG GLU 63 -12.688 -2.761 -1.318 431 H TYR 64 HN TYR 64 -13.676 -1.271 2.341 432 HA TYR 64 HA TYR 64 -15.723 0.717 1.645 433 1HB TYR 64 2HB TYR 64 -13.732 0.168 3.878 434 2HB TYR 64 3HB TYR 64 -14.101 1.850 3.553 435 HD1 TYR 64 HD1 TYR 64 -16.065 2.845 4.411 436 HD2 TYR 64 HD2 TYR 64 -15.684 -1.416 4.419 437 HE1 TYR 64 HE1 TYR 64 -18.161 2.654 5.837 438 HE2 TYR 64 HE2 TYR 64 -17.781 -1.593 5.845 439 HH TYR 64 HH TYR 64 -19.784 1.187 6.458 440 H GLN 65 HN GLN 65 -14.487 3.078 1.819 441 HA GLN 65 HA GLN 65 -12.509 2.863 -0.293 442 1HB GLN 65 2HB GLN 65 -14.767 4.509 0.045 443 2HB GLN 65 3HB GLN 65 -13.416 5.579 0.364 444 1HG GLN 65 2HG GLN 65 -12.362 4.936 -1.792 445 2HG GLN 65 3HG GLN 65 -13.653 3.793 -2.104 446 1HE2 GLN 65 1HE2 GLN 65 -14.964 4.503 -3.590 447 2HE2 GLN 65 2HE2 GLN 65 -15.568 6.115 -3.783 448 H ASP 66 HN ASP 66 -12.789 3.332 3.084 449 HA ASP 66 HA ASP 66 -10.101 4.435 3.097 450 1HB ASP 66 2HB ASP 66 -11.612 5.211 5.474 451 2HB ASP 66 3HB ASP 66 -10.689 6.220 4.378 452 H GLN 67 HN GLN 67 -8.739 3.240 4.481 453 HA GLN 67 HA GLN 67 -9.657 0.856 5.528 454 1HB GLN 67 2HB GLN 67 -7.338 1.061 4.958 455 2HB GLN 67 3HB GLN 67 -7.126 2.476 5.969 456 1HG GLN 67 2HG GLN 67 -7.678 1.007 7.992 457 2HG GLN 67 3HG GLN 67 -7.643 -0.378 6.919 458 1HE2 GLN 67 1HE2 GLN 67 -5.602 0.221 5.214 459 2HE2 GLN 67 2HE2 GLN 67 -4.085 0.267 6.049 460 H GLU 68 HN GLU 68 -9.132 4.088 7.016 461 HA GLU 68 HA GLU 68 -9.420 3.296 9.642 462 1HB GLU 68 2HB GLU 68 -8.556 5.493 9.079 463 2HB GLU 68 3HB GLU 68 -10.032 5.930 8.242 464 1HG GLU 68 2HG GLU 68 -11.217 6.305 10.210 465 2HG GLU 68 3HG GLU 68 -10.326 5.094 11.111 466 H THR 69 HN THR 69 -11.827 4.092 7.106 467 HA THR 69 HA THR 69 -14.056 4.177 8.851 468 HB THR 69 HB THR 69 -13.831 3.623 5.844 469 HG1 THR 69 HG1 THR 69 -14.366 6.056 6.033 470 1HG2 THR 69 1HG2 THR 69 -16.127 3.248 7.047 471 2HG2 THR 69 2HG2 THR 69 -16.095 5.001 7.354 472 3HG2 THR 69 3HG2 THR 69 -16.099 4.389 5.682 473 H ALA 70 HN ALA 70 -12.519 1.561 6.911 474 HA ALA 70 HA ALA 70 -14.510 -0.341 7.493 475 1HB ALA 70 1HB ALA 70 -11.615 -1.009 6.943 476 2HB ALA 70 2HB ALA 70 -13.088 -1.839 6.385 477 3HB ALA 70 3HB ALA 70 -12.626 -0.272 5.677 478 H LEU 71 HN LEU 71 -11.466 0.684 9.109 479 HA LEU 71 HA LEU 71 -11.489 -1.419 10.995 480 1HB LEU 71 2HB LEU 71 -9.474 -0.635 11.386 481 2HB LEU 71 3HB LEU 71 -9.769 0.625 10.205 482 HG LEU 71 HG LEU 71 -10.760 2.005 12.108 483 1HD1 LEU 71 1HD1 LEU 71 -10.158 -0.438 13.546 484 2HD1 LEU 71 2HD1 LEU 71 -9.335 0.963 14.273 485 3HD1 LEU 71 3HD1 LEU 71 -11.101 0.984 14.051 486 1HD2 LEU 71 1HD2 LEU 71 -7.958 1.660 12.891 487 2HD2 LEU 71 2HD2 LEU 71 -8.198 1.782 11.131 488 3HD2 LEU 71 3HD2 LEU 71 -8.799 3.070 12.203 489 H SER 72 HN SER 72 -12.636 2.013 11.042 490 HA SER 72 HA SER 72 -13.456 1.989 13.670 491 1HB SER 72 2HB SER 72 -13.254 3.946 11.956 492 2HB SER 72 3HB SER 72 -14.887 3.528 11.476 493 HG SER 72 HG SER 72 -14.486 5.212 13.279 494 H ALA 73 HN ALA 73 -15.044 0.884 10.650 495 HA ALA 73 HA ALA 73 -17.614 0.556 11.751 496 1HB ALA 73 1HB ALA 73 -18.140 -0.344 9.674 497 2HB ALA 73 2HB ALA 73 -16.696 0.615 9.270 498 3HB ALA 73 3HB ALA 73 -16.559 -1.144 9.502 499 H MET 74 HN MET 74 -14.683 -1.508 11.549 500 HA MET 74 HA MET 74 -15.921 -3.859 12.338 501 1HB MET 74 2HB MET 74 -13.314 -2.930 11.683 502 2HB MET 74 3HB MET 74 -13.152 -3.537 13.319 503 1HG MET 74 2HG MET 74 -14.754 -5.434 11.851 504 2HG MET 74 3HG MET 74 -13.360 -5.046 10.862 505 1HE MET 74 1HE MET 74 -11.098 -5.543 11.255 506 2HE MET 74 2HE MET 74 -10.854 -4.586 12.736 507 3HE MET 74 3HE MET 74 -10.357 -6.294 12.689 508 H ARG 75 HN ARG 75 -14.253 -1.266 14.237 509 HA ARG 75 HA ARG 75 -14.715 -2.636 16.667 510 1HB ARG 75 2HB ARG 75 -12.932 -0.730 15.923 511 2HB ARG 75 3HB ARG 75 -14.146 0.326 16.617 512 1HG ARG 75 2HG ARG 75 -14.081 -0.985 18.743 513 2HG ARG 75 3HG ARG 75 -12.882 -2.059 18.051 514 1HD ARG 75 2HD ARG 75 -11.361 -0.048 17.711 515 2HD ARG 75 3HD ARG 75 -12.542 0.938 18.549 516 HE ARG 75 HE ARG 75 -10.701 -0.977 19.761 517 1HH1 ARG 75 2HH2 ARG 75 -13.796 0.650 20.160 518 2HH1 ARG 75 1HH2 ARG 75 -13.805 0.487 21.884 519 1HH2 ARG 75 2HH1 ARG 75 -10.712 -1.192 22.036 520 2HH2 ARG 75 1HH1 ARG 75 -12.039 -0.568 22.959 521 H ASN 76 HN ASN 76 -16.446 -0.337 14.633 522 HA ASN 76 HA ASN 76 -18.075 0.682 16.703 523 1HB ASN 76 2HB ASN 76 -18.044 0.797 13.678 524 2HB ASN 76 3HB ASN 76 -19.524 1.255 14.495 525 1HD2 ASN 76 1HD2 ASN 76 -17.273 2.674 12.992 526 2HD2 ASN 76 2HD2 ASN 76 -16.864 4.037 13.980 527 H LEU 77 HN LEU 77 -18.109 -2.041 14.394 528 HA LEU 77 HA LEU 77 -20.809 -2.751 15.293 529 1HB LEU 77 2HB LEU 77 -19.249 -3.569 12.839 530 2HB LEU 77 3HB LEU 77 -20.802 -4.242 13.296 531 HG LEU 77 HG LEU 77 -20.737 -1.290 13.121 532 1HD1 LEU 77 1HD1 LEU 77 -19.696 -2.926 10.939 533 2HD1 LEU 77 2HD1 LEU 77 -21.102 -1.946 10.458 534 3HD1 LEU 77 3HD1 LEU 77 -19.671 -1.161 11.168 535 1HD2 LEU 77 1HD2 LEU 77 -22.731 -2.922 13.472 536 2HD2 LEU 77 2HD2 LEU 77 -22.922 -1.518 12.395 537 3HD2 LEU 77 3HD2 LEU 77 -22.641 -3.135 11.707 538 H ASN 78 HN ASN 78 -18.408 -4.974 13.876 539 HA ASN 78 HA ASN 78 -17.819 -6.962 14.600 540 1HB ASN 78 2HB ASN 78 -15.891 -5.886 15.455 541 2HB ASN 78 3HB ASN 78 -16.797 -4.987 16.655 542 1HD2 ASN 78 1HD2 ASN 78 -16.616 -8.438 15.786 543 2HD2 ASN 78 2HD2 ASN 78 -16.199 -9.038 17.357 544 H GLY 79 HN GLY 79 -20.001 -7.881 14.964 545 1HA GLY 79 1HA GLY 79 -21.303 -9.200 16.291 546 2HA GLY 79 2HA GLY 79 -20.448 -8.641 17.715 547 H ARG 80 HN ARG 80 -22.004 -6.588 15.187 548 HA ARG 80 HA ARG 80 -23.424 -5.258 17.274 549 1HB ARG 80 2HB ARG 80 -22.399 -3.931 15.464 550 2HB ARG 80 3HB ARG 80 -23.302 -4.814 14.250 551 1HG ARG 80 2HG ARG 80 -24.870 -3.174 14.422 552 2HG ARG 80 3HG ARG 80 -25.327 -3.916 15.942 553 1HD ARG 80 2HD ARG 80 -24.350 -2.253 17.206 554 2HD ARG 80 3HD ARG 80 -22.969 -2.106 16.137 555 HE ARG 80 HE ARG 80 -25.504 -1.109 15.010 556 1HH1 ARG 80 2HH2 ARG 80 -22.570 -0.310 16.782 557 2HH1 ARG 80 1HH2 ARG 80 -22.655 1.380 16.412 558 1HH2 ARG 80 2HH1 ARG 80 -25.616 1.121 14.523 559 2HH2 ARG 80 1HH1 ARG 80 -24.399 2.199 15.119 560 H GLU 81 HN GLU 81 -25.504 -5.778 17.889 561 HA GLU 81 HA GLU 81 -26.854 -7.873 16.701 562 1HB GLU 81 2HB GLU 81 -28.158 -5.693 18.375 563 2HB GLU 81 3HB GLU 81 -28.636 -7.374 18.251 564 1HG GLU 81 2HG GLU 81 -27.225 -7.953 19.927 565 2HG GLU 81 3HG GLU 81 -25.858 -7.280 19.061 566 H PHE 82 HN PHE 82 -28.497 -8.012 15.153 567 HA PHE 82 HA PHE 82 -30.025 -5.842 14.309 568 1HB PHE 82 2HB PHE 82 -27.847 -5.057 13.372 569 2HB PHE 82 3HB PHE 82 -27.551 -6.631 12.661 570 HD1 PHE 82 HD1 PHE 82 -29.139 -7.422 10.818 571 HD2 PHE 82 HD2 PHE 82 -28.982 -3.400 12.164 572 HE1 PHE 82 HE1 PHE 82 -30.235 -6.667 8.690 573 HE2 PHE 82 HE2 PHE 82 -30.078 -2.645 10.036 574 HZ PHE 82 HZ PHE 82 -30.691 -4.287 8.324 575 H SER 83 HN SER 83 -28.348 -8.885 13.318 576 HA SER 83 HA SER 83 -30.626 -9.597 11.720 577 1HB SER 83 2HB SER 83 -27.915 -10.854 12.248 578 2HB SER 83 3HB SER 83 -29.172 -11.757 11.427 579 HG SER 83 HG SER 83 -29.226 -9.526 10.107 580 H GLY 84 HN GLY 84 -30.645 -9.307 14.795 581 1HA GLY 84 1HA GLY 84 -31.931 -10.309 16.379 582 2HA GLY 84 2HA GLY 84 -32.207 -11.670 15.310 583 H ARG 85 HN ARG 85 -28.866 -10.997 15.371 584 HA ARG 85 HA ARG 85 -28.457 -12.668 17.697 585 1HB ARG 85 2HB ARG 85 -28.175 -13.572 14.981 586 2HB ARG 85 3HB ARG 85 -26.554 -13.421 15.630 587 1HG ARG 85 2HG ARG 85 -27.203 -14.813 17.599 588 2HG ARG 85 3HG ARG 85 -28.834 -14.948 16.974 589 1HD ARG 85 2HD ARG 85 -27.735 -15.933 14.817 590 2HD ARG 85 3HD ARG 85 -26.279 -16.094 15.778 591 HE ARG 85 HE ARG 85 -28.611 -17.214 17.126 592 1HH1 ARG 85 2HH2 ARG 85 -26.120 -17.872 14.729 593 2HH1 ARG 85 1HH2 ARG 85 -26.209 -19.591 14.921 594 1HH2 ARG 85 2HH1 ARG 85 -28.729 -19.482 17.380 595 2HH2 ARG 85 1HH1 ARG 85 -27.703 -20.513 16.439 596 H ALA 86 HN ALA 86 -26.505 -11.319 14.926 597 HA ALA 86 HA ALA 86 -25.459 -9.123 16.056 598 1HB ALA 86 1HB ALA 86 -24.287 -9.791 17.860 599 2HB ALA 86 2HB ALA 86 -24.480 -11.509 17.434 600 3HB ALA 86 3HB ALA 86 -23.150 -10.560 16.727 601 H LEU 87 HN LEU 87 -23.936 -8.171 14.653 602 HA LEU 87 HA LEU 87 -23.464 -9.745 12.250 603 1HB LEU 87 2HB LEU 87 -23.692 -6.858 12.916 604 2HB LEU 87 3HB LEU 87 -22.623 -7.292 11.597 605 HG LEU 87 HG LEU 87 -25.600 -7.724 11.815 606 1HD1 LEU 87 1HD1 LEU 87 -24.682 -5.550 10.973 607 2HD1 LEU 87 2HD1 LEU 87 -23.961 -6.447 9.615 608 3HD1 LEU 87 3HD1 LEU 87 -25.728 -6.416 9.822 609 1HD2 LEU 87 1HD2 LEU 87 -25.293 -8.849 9.502 610 2HD2 LEU 87 2HD2 LEU 87 -23.631 -9.164 10.055 611 3HD2 LEU 87 3HD2 LEU 87 -25.012 -9.807 10.976 612 H ARG 88 HN ARG 88 -21.741 -11.106 12.763 613 HA ARG 88 HA ARG 88 -19.556 -10.246 14.234 614 1HB ARG 88 2HB ARG 88 -20.465 -12.662 13.111 615 2HB ARG 88 3HB ARG 88 -18.956 -12.373 12.268 616 1HG ARG 88 2HG ARG 88 -18.174 -13.507 14.153 617 2HG ARG 88 3HG ARG 88 -18.013 -11.848 14.694 618 1HD ARG 88 2HD ARG 88 -20.636 -12.396 15.409 619 2HD ARG 88 3HD ARG 88 -19.888 -13.966 15.625 620 HE ARG 88 HE ARG 88 -19.497 -11.653 17.300 621 1HH1 ARG 88 2HH2 ARG 88 -17.759 -14.402 15.958 622 2HH1 ARG 88 1HH2 ARG 88 -16.595 -14.455 17.240 623 1HH2 ARG 88 2HH1 ARG 88 -17.962 -11.722 18.992 624 2HH2 ARG 88 1HH1 ARG 88 -16.711 -12.920 18.977 625 H VAL 89 HN VAL 89 -18.384 -8.454 13.527 626 HA VAL 89 HA VAL 89 -17.602 -8.431 10.700 627 HB VAL 89 HB VAL 89 -17.467 -6.139 12.652 628 1HG1 VAL 89 1HG1 VAL 89 -16.489 -5.131 10.917 629 2HG1 VAL 89 2HG1 VAL 89 -16.793 -6.531 9.862 630 3HG1 VAL 89 3HG1 VAL 89 -18.031 -5.264 10.038 631 1HG2 VAL 89 1HG2 VAL 89 -19.725 -6.363 12.786 632 2HG2 VAL 89 2HG2 VAL 89 -19.666 -5.534 11.212 633 3HG2 VAL 89 3HG2 VAL 89 -19.834 -7.305 11.279 634 H ASP 90 HN ASP 90 -15.511 -8.835 10.174 635 HA ASP 90 HA ASP 90 -13.548 -8.422 12.271 636 1HB ASP 90 2HB ASP 90 -12.543 -10.633 10.952 637 2HB ASP 90 3HB ASP 90 -13.381 -10.685 12.491 638 H ASN 91 HN ASN 91 -11.302 -8.178 11.330 639 HA ASN 91 HA ASN 91 -11.338 -6.632 9.041 640 1HB ASN 91 2HB ASN 91 -9.530 -7.122 11.069 641 2HB ASN 91 3HB ASN 91 -8.763 -7.994 9.757 642 1HD2 ASN 91 1HD2 ASN 91 -9.559 -6.472 7.581 643 2HD2 ASN 91 2HD2 ASN 91 -8.807 -4.913 7.635 644 H ALA 92 HN ALA 92 -11.135 -7.207 6.851 645 HA ALA 92 HA ALA 92 -11.381 -9.880 6.084 646 1HB ALA 92 1HB ALA 92 -10.986 -8.942 3.796 647 2HB ALA 92 2HB ALA 92 -12.198 -8.029 4.727 648 3HB ALA 92 3HB ALA 92 -10.547 -7.389 4.545 649 H ALA 93 HN ALA 93 -8.657 -8.071 7.178 650 HA ALA 93 HA ALA 93 -6.757 -9.671 5.677 651 1HB ALA 93 1HB ALA 93 -5.396 -7.913 6.034 652 2HB ALA 93 2HB ALA 93 -6.793 -7.075 6.752 653 3HB ALA 93 3HB ALA 93 -5.668 -7.982 7.791 654 H SER 94 HN SER 94 -8.762 -10.758 7.751 655 HA SER 94 HA SER 94 -7.092 -11.496 9.928 656 1HB SER 94 2HB SER 94 -9.929 -11.813 9.138 657 2HB SER 94 3HB SER 94 -9.293 -13.193 10.009 658 HG SER 94 HG SER 94 -8.615 -11.747 11.720 659 H GLU 95 HN GLU 95 -6.252 -13.626 10.378 660 HA GLU 95 HA GLU 95 -5.286 -14.953 8.162 661 1HB GLU 95 2HB GLU 95 -4.380 -16.555 9.733 662 2HB GLU 95 3HB GLU 95 -4.300 -14.973 10.482 663 1HG GLU 95 2HG GLU 95 -6.337 -15.431 11.790 664 2HG GLU 95 3HG GLU 95 -6.577 -16.953 10.955 665 H LYS 96 HN LYS 96 -8.209 -15.456 10.164 666 HA LYS 96 HA LYS 96 -8.810 -17.966 8.906 667 1HB LYS 96 2HB LYS 96 -9.464 -17.754 11.173 668 2HB LYS 96 3HB LYS 96 -10.223 -16.198 10.906 669 1HG LYS 96 2HG LYS 96 -12.011 -17.808 11.029 670 2HG LYS 96 3HG LYS 96 -11.874 -17.356 9.342 671 1HD LYS 96 2HD LYS 96 -11.666 -19.563 8.855 672 2HD LYS 96 3HD LYS 96 -10.079 -19.510 9.595 673 1HE LYS 96 2HE LYS 96 -10.892 -21.053 11.065 674 2HE LYS 96 3HE LYS 96 -11.720 -19.709 11.826 675 1HZ LYS 96 1HZ LYS 96 -13.657 -20.193 10.674 676 2HZ LYS 96 2HZ LYS 96 -12.915 -21.144 9.573 677 3HZ LYS 96 3HZ LYS 96 -13.100 -21.665 11.109 678 H ASN 97 HN ASN 97 -9.604 -14.515 8.506 679 HA ASN 97 HA ASN 97 -11.781 -14.978 6.801 680 1HB ASN 97 2HB ASN 97 -9.956 -12.580 7.299 681 2HB ASN 97 3HB ASN 97 -11.256 -12.504 6.125 682 1HD2 ASN 97 1HD2 ASN 97 -11.670 -10.727 7.816 683 2HD2 ASN 97 2HD2 ASN 97 -12.781 -11.117 9.087 684 H LYS 98 HN LYS 98 -8.305 -15.129 6.491 685 HA LYS 98 HA LYS 98 -8.023 -14.371 3.806 686 1HB LYS 98 2HB LYS 98 -6.373 -15.254 5.934 687 2HB LYS 98 3HB LYS 98 -6.091 -16.358 4.602 688 1HG LYS 98 2HG LYS 98 -5.834 -14.304 3.084 689 2HG LYS 98 3HG LYS 98 -5.878 -13.314 4.530 690 1HD LYS 98 2HD LYS 98 -3.905 -14.560 5.442 691 2HD LYS 98 3HD LYS 98 -3.860 -15.546 3.993 692 1HE LYS 98 2HE LYS 98 -2.327 -13.928 3.356 693 2HE LYS 98 3HE LYS 98 -3.784 -13.146 2.777 694 1HZ LYS 98 1HZ LYS 98 -2.883 -12.694 5.515 695 2HZ LYS 98 2HZ LYS 98 -2.207 -11.861 4.283 696 3HZ LYS 98 3HZ LYS 98 -3.810 -11.737 4.570 697 H GLU 99 HN GLU 99 -8.640 -17.545 5.417 698 HA GLU 99 HA GLU 99 -8.500 -19.040 3.094 699 1HB GLU 99 2HB GLU 99 -9.824 -19.435 5.787 700 2HB GLU 99 3HB GLU 99 -10.080 -20.612 4.514 701 1HG GLU 99 2HG GLU 99 -7.253 -19.724 5.132 702 2HG GLU 99 3HG GLU 99 -8.035 -20.862 6.211 703 H GLU 100 HN GLU 100 -11.148 -17.153 4.593 704 HA GLU 100 HA GLU 100 -13.140 -18.218 2.916 705 1HB GLU 100 2HB GLU 100 -12.964 -15.793 4.731 706 2HB GLU 100 3HB GLU 100 -14.378 -16.061 3.732 707 1HG GLU 100 2HG GLU 100 -13.294 -18.252 5.544 708 2HG GLU 100 3HG GLU 100 -14.387 -17.027 6.158 709 H LEU 101 HN LEU 101 -11.019 -15.307 2.839 710 HA LEU 101 HA LEU 101 -12.254 -14.087 0.645 711 1HB LEU 101 2HB LEU 101 -9.635 -13.872 2.051 712 2HB LEU 101 3HB LEU 101 -9.784 -13.133 0.470 713 HG LEU 101 HG LEU 101 -12.040 -12.444 2.181 714 1HD1 LEU 101 1HD1 LEU 101 -10.861 -12.421 4.123 715 2HD1 LEU 101 2HD1 LEU 101 -9.293 -12.207 3.306 716 3HD1 LEU 101 3HD1 LEU 101 -10.391 -10.819 3.504 717 1HD2 LEU 101 1HD2 LEU 101 -11.549 -10.210 1.440 718 2HD2 LEU 101 2HD2 LEU 101 -9.929 -10.699 0.887 719 3HD2 LEU 101 3HD2 LEU 101 -11.377 -11.323 0.061 720 H LYS 102 HN LYS 102 -9.895 -16.733 0.960 721 HA LYS 102 HA LYS 102 -8.839 -16.740 -1.575 722 1HB LYS 102 2HB LYS 102 -8.406 -18.210 0.566 723 2HB LYS 102 3HB LYS 102 -9.538 -19.312 -0.192 724 1HG LYS 102 2HG LYS 102 -7.432 -18.210 -2.005 725 2HG LYS 102 3HG LYS 102 -6.843 -19.262 -0.733 726 1HD LYS 102 2HD LYS 102 -7.604 -21.100 -1.821 727 2HD LYS 102 3HD LYS 102 -9.229 -20.447 -1.881 728 1HE LYS 102 2HE LYS 102 -8.924 -19.487 -4.005 729 2HE LYS 102 3HE LYS 102 -7.190 -19.332 -3.807 730 1HZ LYS 102 1HZ LYS 102 -8.619 -21.443 -4.936 731 2HZ LYS 102 2HZ LYS 102 -7.001 -21.232 -4.870 732 3HZ LYS 102 3HZ LYS 102 -7.771 -22.017 -3.663 733 H SER 103 HN SER 103 -12.087 -17.587 -0.446 734 HA SER 103 HA SER 103 -12.706 -18.880 -2.924 735 1HB SER 103 2HB SER 103 -13.823 -18.773 -0.270 736 2HB SER 103 3HB SER 103 -15.067 -18.261 -1.393 737 HG SER 103 HG SER 103 -14.978 -20.611 -1.022 738 H LEU 104 HN LEU 104 -12.981 -15.701 -1.377 739 HA LEU 104 HA LEU 104 -14.924 -14.733 -3.253 740 1HB LEU 104 2HB LEU 104 -13.431 -13.671 -0.909 741 2HB LEU 104 3HB LEU 104 -14.017 -12.512 -2.086 742 HG LEU 104 HG LEU 104 -15.630 -12.695 -0.331 743 1HD1 LEU 104 1HD1 LEU 104 -17.023 -14.336 -2.389 744 2HD1 LEU 104 2HD1 LEU 104 -17.501 -12.806 -1.616 745 3HD1 LEU 104 3HD1 LEU 104 -16.283 -12.805 -2.914 746 1HD2 LEU 104 1HD2 LEU 104 -14.844 -15.015 0.372 747 2HD2 LEU 104 2HD2 LEU 104 -16.588 -14.680 0.491 748 3HD2 LEU 104 3HD2 LEU 104 -15.959 -15.649 -0.863 749 H GLY 105 HN GLY 105 -11.793 -15.689 -3.633 750 1HA GLY 105 1HA GLY 105 -10.423 -13.606 -4.821 751 2HA GLY 105 2HA GLY 105 -10.248 -15.303 -5.218 752 H THR 106 HN THR 106 -9.802 -14.111 -7.409 753 HA THR 106 HA THR 106 -12.063 -13.073 -8.794 754 HB THR 106 HB THR 106 -9.216 -13.906 -9.498 755 HG1 THR 106 HG1 THR 106 -10.812 -11.446 -9.633 756 1HG2 THR 106 1HG2 THR 106 -10.282 -14.275 -11.611 757 2HG2 THR 106 2HG2 THR 106 -11.486 -12.996 -11.318 758 3HG2 THR 106 3HG2 THR 106 -9.796 -12.563 -11.676 759 H GLY 107 HN GLY 107 -13.165 -13.978 -10.623 760 1HA GLY 107 1HA GLY 107 -13.240 -16.112 -11.971 761 2HA GLY 107 2HA GLY 107 -13.346 -16.920 -10.419 762 H ALA 108 HN ALA 108 -15.256 -16.382 -12.882 763 HA ALA 108 HA ALA 108 -17.629 -16.449 -11.396 764 1HB ALA 108 1HB ALA 108 -17.456 -13.888 -12.971 765 2HB ALA 108 2HB ALA 108 -18.521 -14.312 -11.610 766 3HB ALA 108 3HB ALA 108 -16.807 -13.935 -11.314 767 HA PRO 109 HA PRO 109 -17.733 -18.035 -15.604 768 1HB PRO 109 2HB PRO 109 -18.648 -20.538 -14.995 769 2HB PRO 109 3HB PRO 109 -16.947 -20.153 -15.157 770 1HG PRO 109 2HG PRO 109 -18.514 -20.626 -12.696 771 2HG PRO 109 3HG PRO 109 -16.776 -20.663 -12.914 772 1HD PRO 109 2HD PRO 109 -18.309 -18.562 -11.704 773 2HD PRO 109 3HD PRO 109 -16.586 -18.551 -12.028 774 H VAL 110 HN VAL 110 -19.436 -18.411 -17.096 775 HA VAL 110 HA VAL 110 -22.068 -18.217 -15.842 776 HB VAL 110 HB VAL 110 -21.224 -15.941 -16.416 777 1HG1 VAL 110 1HG1 VAL 110 -21.535 -16.768 -19.313 778 2HG1 VAL 110 2HG1 VAL 110 -20.890 -15.243 -18.658 779 3HG1 VAL 110 3HG1 VAL 110 -19.963 -16.752 -18.479 780 1HG2 VAL 110 1HG2 VAL 110 -23.474 -16.291 -18.302 781 2HG2 VAL 110 2HG2 VAL 110 -23.727 -16.995 -16.686 782 3HG2 VAL 110 3HG2 VAL 110 -23.334 -15.266 -16.853 783 H ILE 111 HN ILE 111 -23.774 -19.118 -17.128 784 HA ILE 111 HA ILE 111 -22.762 -20.691 -19.395 785 HB ILE 111 HB ILE 111 -24.439 -22.379 -18.794 786 1HG1 ILE 111 2HG1 ILE 111 -24.817 -21.171 -16.088 787 2HG1 ILE 111 3HG1 ILE 111 -25.750 -20.504 -17.412 788 1HG2 ILE 111 1HG2 ILE 111 -22.736 -21.931 -16.359 789 2HG2 ILE 111 2HG2 ILE 111 -23.120 -23.443 -17.216 790 3HG2 ILE 111 3HG2 ILE 111 -21.989 -22.273 -17.938 791 1HD1 ILE 111 1HD1 ILE 111 -26.146 -23.002 -15.994 792 2HD1 ILE 111 2HD1 ILE 111 -27.190 -22.237 -17.216 793 3HD1 ILE 111 3HD1 ILE 111 -25.884 -23.335 -17.722 Start of MODEL 15 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 2.874 0.725 -1.099 3 1HB ASP 8 2HB ASP 8 3.135 -1.762 -0.645 4 2HB ASP 8 3HB ASP 8 1.822 -2.064 -1.765 5 HA PRO 9 HA PRO 9 -0.951 1.401 -3.603 6 1HB PRO 9 2HB PRO 9 -1.151 4.117 -3.373 7 2HB PRO 9 3HB PRO 9 -2.041 3.001 -2.356 8 1HG PRO 9 2HG PRO 9 0.329 4.634 -1.683 9 2HG PRO 9 3HG PRO 9 -0.812 3.858 -0.603 10 1HD PRO 9 2HD PRO 9 1.837 2.958 -1.234 11 2HD PRO 9 3HD PRO 9 0.655 2.124 -0.246 12 H ALA 10 HN ALA 10 0.707 4.435 -3.880 13 HA ALA 10 HA ALA 10 2.493 3.673 -5.883 14 1HB ALA 10 1HB ALA 10 0.701 3.149 -7.339 15 2HB ALA 10 2HB ALA 10 -0.264 4.542 -6.795 16 3HB ALA 10 3HB ALA 10 1.179 4.799 -7.804 17 H VAL 11 HN VAL 11 3.839 5.080 -4.700 18 HA VAL 11 HA VAL 11 2.998 7.727 -4.091 19 HB VAL 11 HB VAL 11 5.748 6.467 -4.115 20 1HG1 VAL 11 1HG1 VAL 11 5.018 9.155 -3.787 21 2HG1 VAL 11 2HG1 VAL 11 5.298 8.546 -2.138 22 3HG1 VAL 11 3HG1 VAL 11 6.576 8.403 -3.369 23 1HG2 VAL 11 1HG2 VAL 11 3.717 6.701 -1.868 24 2HG2 VAL 11 2HG2 VAL 11 4.207 5.204 -2.697 25 3HG2 VAL 11 3HG2 VAL 11 5.383 6.097 -1.704 26 H ASP 12 HN ASP 12 4.602 6.096 -6.805 27 HA ASP 12 HA ASP 12 5.843 8.252 -7.940 28 1HB ASP 12 2HB ASP 12 5.241 5.574 -8.632 29 2HB ASP 12 3HB ASP 12 4.539 6.522 -9.927 30 H ARG 13 HN ARG 13 2.425 7.183 -7.913 31 HA ARG 13 HA ARG 13 1.526 8.706 -10.026 32 1HB ARG 13 2HB ARG 13 -0.627 8.083 -9.313 33 2HB ARG 13 3HB ARG 13 0.351 6.848 -8.544 34 1HG ARG 13 2HG ARG 13 -0.990 7.576 -6.756 35 2HG ARG 13 3HG ARG 13 0.468 8.518 -6.513 36 1HD ARG 13 2HD ARG 13 -0.764 10.419 -6.653 37 2HD ARG 13 3HD ARG 13 -1.137 10.037 -8.322 38 HE ARG 13 HE ARG 13 -2.909 8.447 -6.902 39 1HH1 ARG 13 2HH2 ARG 13 -2.167 11.887 -6.892 40 2HH1 ARG 13 1HH2 ARG 13 -3.766 12.360 -6.421 41 1HH2 ARG 13 2HH1 ARG 13 -5.017 9.070 -6.281 42 2HH2 ARG 13 1HH1 ARG 13 -5.398 10.747 -6.071 43 H SER 14 HN SER 14 2.157 9.470 -6.588 44 HA SER 14 HA SER 14 0.743 11.848 -6.486 45 1HB SER 14 2HB SER 14 2.313 10.322 -4.744 46 2HB SER 14 3HB SER 14 3.222 11.813 -4.884 47 HG SER 14 HG SER 14 0.794 12.710 -4.585 48 H LEU 15 HN LEU 15 3.974 10.987 -7.731 49 HA LEU 15 HA LEU 15 4.928 13.648 -7.895 50 1HB LEU 15 2HB LEU 15 5.768 10.978 -8.953 51 2HB LEU 15 3HB LEU 15 6.502 12.429 -9.606 52 HG LEU 15 HG LEU 15 6.517 12.532 -6.714 53 1HD1 LEU 15 1HD1 LEU 15 7.714 10.643 -6.087 54 2HD1 LEU 15 2HD1 LEU 15 6.472 9.987 -7.181 55 3HD1 LEU 15 3HD1 LEU 15 8.137 10.224 -7.765 56 1HD2 LEU 15 1HD2 LEU 15 7.961 13.671 -8.588 57 2HD2 LEU 15 2HD2 LEU 15 8.669 13.281 -7.003 58 3HD2 LEU 15 3HD2 LEU 15 8.974 12.220 -8.399 59 H ARG 16 HN ARG 16 2.523 11.887 -9.603 60 HA ARG 16 HA ARG 16 2.946 13.433 -12.000 61 1HB ARG 16 2HB ARG 16 1.214 11.063 -11.246 62 2HB ARG 16 3HB ARG 16 0.756 12.027 -12.636 63 1HG ARG 16 2HG ARG 16 2.601 11.372 -13.886 64 2HG ARG 16 3HG ARG 16 3.644 11.234 -12.484 65 1HD ARG 16 2HD ARG 16 3.279 8.983 -13.252 66 2HD ARG 16 3HD ARG 16 2.303 9.154 -11.807 67 HE ARG 16 HE ARG 16 0.901 9.803 -14.318 68 1HH1 ARG 16 2HH2 ARG 16 1.657 7.319 -11.943 69 2HH1 ARG 16 1HH2 ARG 16 0.310 6.319 -12.372 70 1HH2 ARG 16 2HH1 ARG 16 -0.877 8.484 -14.884 71 2HH2 ARG 16 1HH1 ARG 16 -1.142 6.986 -14.056 72 H SER 17 HN SER 17 0.065 12.532 -9.947 73 HA SER 17 HA SER 17 -1.708 14.287 -10.751 74 1HB SER 17 2HB SER 17 -1.060 13.671 -7.834 75 2HB SER 17 3HB SER 17 -2.567 14.377 -8.382 76 HG SER 17 HG SER 17 -1.829 12.024 -9.743 77 H VAL 18 HN VAL 18 -1.746 16.473 -11.113 78 HA VAL 18 HA VAL 18 0.058 18.111 -9.471 79 HB VAL 18 HB VAL 18 -0.438 19.679 -11.573 80 1HG1 VAL 18 1HG1 VAL 18 1.606 17.439 -11.686 81 2HG1 VAL 18 2HG1 VAL 18 1.711 19.043 -12.451 82 3HG1 VAL 18 3HG1 VAL 18 1.768 18.897 -10.678 83 1HG2 VAL 18 1HG2 VAL 18 -0.471 18.381 -13.653 84 2HG2 VAL 18 2HG2 VAL 18 -0.606 16.872 -12.720 85 3HG2 VAL 18 3HG2 VAL 18 -1.926 18.065 -12.679 86 H PHE 19 HN PHE 19 -0.865 19.560 -8.107 87 HA PHE 19 HA PHE 19 -3.716 19.710 -8.036 88 1HB PHE 19 2HB PHE 19 -2.513 19.721 -5.936 89 2HB PHE 19 3HB PHE 19 -1.306 20.839 -6.539 90 HD1 PHE 19 HD1 PHE 19 -4.440 20.503 -4.818 91 HD2 PHE 19 HD2 PHE 19 -1.952 23.257 -6.875 92 HE1 PHE 19 HE1 PHE 19 -5.682 22.412 -3.764 93 HE2 PHE 19 HE2 PHE 19 -3.194 25.167 -5.821 94 HZ PHE 19 HZ PHE 19 -5.044 24.721 -4.278 95 H VAL 20 HN VAL 20 -5.040 21.280 -8.859 96 HA VAL 20 HA VAL 20 -3.692 23.644 -9.973 97 HB VAL 20 HB VAL 20 -4.836 21.793 -11.457 98 1HG1 VAL 20 1HG1 VAL 20 -7.184 23.484 -10.545 99 2HG1 VAL 20 2HG1 VAL 20 -7.198 22.454 -11.996 100 3HG1 VAL 20 3HG1 VAL 20 -6.987 21.723 -10.386 101 1HG2 VAL 20 1HG2 VAL 20 -5.665 23.814 -12.958 102 2HG2 VAL 20 2HG2 VAL 20 -4.821 24.777 -11.722 103 3HG2 VAL 20 3HG2 VAL 20 -3.934 23.541 -12.646 104 H GLY 21 HN GLY 21 -4.416 25.642 -9.328 105 1HA GLY 21 1HA GLY 21 -7.026 25.919 -8.100 106 2HA GLY 21 2HA GLY 21 -5.673 26.103 -7.002 107 H ASN 22 HN ASN 22 -7.139 28.321 -7.177 108 HA ASN 22 HA ASN 22 -6.900 30.468 -7.466 109 1HB ASN 22 2HB ASN 22 -4.351 29.914 -7.624 110 2HB ASN 22 3HB ASN 22 -4.546 30.026 -9.362 111 1HD2 ASN 22 1HD2 ASN 22 -5.008 31.976 -10.341 112 2HD2 ASN 22 2HD2 ASN 22 -4.821 33.507 -9.553 113 H ILE 23 HN ILE 23 -8.224 28.448 -9.379 114 HA ILE 23 HA ILE 23 -8.198 30.025 -11.845 115 HB ILE 23 HB ILE 23 -9.543 27.370 -11.548 116 1HG1 ILE 23 2HG1 ILE 23 -6.574 27.697 -12.061 117 2HG1 ILE 23 3HG1 ILE 23 -7.258 27.180 -10.533 118 1HG2 ILE 23 1HG2 ILE 23 -9.970 28.357 -13.625 119 2HG2 ILE 23 2HG2 ILE 23 -8.304 28.965 -13.787 120 3HG2 ILE 23 3HG2 ILE 23 -8.636 27.223 -13.944 121 1HD1 ILE 23 1HD1 ILE 23 -8.517 25.368 -11.972 122 2HD1 ILE 23 2HD1 ILE 23 -7.282 25.743 -13.199 123 3HD1 ILE 23 3HD1 ILE 23 -6.792 25.132 -11.600 124 HA PRO 24 HA PRO 24 -12.093 31.585 -10.801 125 1HB PRO 24 2HB PRO 24 -12.857 32.587 -13.226 126 2HB PRO 24 3HB PRO 24 -11.779 33.435 -12.135 127 1HG PRO 24 2HG PRO 24 -11.131 31.992 -14.633 128 2HG PRO 24 3HG PRO 24 -10.173 33.181 -13.771 129 1HD PRO 24 2HD PRO 24 -9.777 30.340 -13.784 130 2HD PRO 24 3HD PRO 24 -8.894 31.517 -12.832 131 H TYR 25 HN TYR 25 -14.399 31.793 -12.347 132 HA TYR 25 HA TYR 25 -15.145 28.973 -12.285 133 1HB TYR 25 2HB TYR 25 -16.518 31.718 -12.340 134 2HB TYR 25 3HB TYR 25 -17.456 30.264 -12.611 135 HD1 TYR 25 HD1 TYR 25 -14.763 31.217 -10.164 136 HD2 TYR 25 HD2 TYR 25 -18.717 29.695 -10.757 137 HE1 TYR 25 HE1 TYR 25 -15.031 30.916 -7.654 138 HE2 TYR 25 HE2 TYR 25 -18.972 29.399 -8.245 139 HH TYR 25 HH TYR 25 -17.417 29.045 -6.309 140 H GLU 26 HN GLU 26 -14.003 31.234 -14.525 141 HA GLU 26 HA GLU 26 -15.746 30.334 -16.635 142 1HB GLU 26 2HB GLU 26 -14.090 32.660 -16.138 143 2HB GLU 26 3HB GLU 26 -13.616 31.942 -17.664 144 1HG GLU 26 2HG GLU 26 -15.689 32.323 -18.660 145 2HG GLU 26 3HG GLU 26 -16.567 32.188 -17.149 146 H ALA 27 HN ALA 27 -12.926 29.283 -15.069 147 HA ALA 27 HA ALA 27 -11.949 27.979 -17.514 148 1HB ALA 27 1HB ALA 27 -10.654 29.310 -15.253 149 2HB ALA 27 2HB ALA 27 -10.046 27.653 -15.487 150 3HB ALA 27 3HB ALA 27 -9.976 28.824 -16.826 151 H THR 28 HN THR 28 -13.258 26.149 -17.608 152 HA THR 28 HA THR 28 -13.588 24.591 -15.168 153 HB THR 28 HB THR 28 -15.099 23.261 -16.793 154 HG1 THR 28 HG1 THR 28 -14.190 23.942 -18.786 155 1HG2 THR 28 1HG2 THR 28 -15.488 25.978 -15.743 156 2HG2 THR 28 2HG2 THR 28 -16.370 25.749 -17.272 157 3HG2 THR 28 3HG2 THR 28 -16.674 24.660 -15.897 158 H GLU 29 HN GLU 29 -13.472 22.077 -15.590 159 HA GLU 29 HA GLU 29 -10.794 21.525 -15.869 160 1HB GLU 29 2HB GLU 29 -13.309 19.981 -15.555 161 2HB GLU 29 3HB GLU 29 -12.017 19.083 -16.326 162 1HG GLU 29 2HG GLU 29 -10.516 20.031 -14.368 163 2HG GLU 29 3HG GLU 29 -12.043 20.356 -13.571 164 H GLU 30 HN GLU 30 -13.423 21.653 -18.252 165 HA GLU 30 HA GLU 30 -12.222 20.127 -20.223 166 1HB GLU 30 2HB GLU 30 -14.566 21.725 -19.917 167 2HB GLU 30 3HB GLU 30 -13.762 22.314 -21.359 168 1HG GLU 30 2HG GLU 30 -15.116 20.554 -22.180 169 2HG GLU 30 3HG GLU 30 -13.535 19.810 -22.047 170 H GLN 31 HN GLN 31 -11.776 23.510 -19.189 171 HA GLN 31 HA GLN 31 -10.224 24.116 -21.515 172 1HB GLN 31 2HB GLN 31 -10.896 25.665 -18.982 173 2HB GLN 31 3HB GLN 31 -9.831 26.306 -20.217 174 1HG GLN 31 2HG GLN 31 -12.073 25.365 -21.659 175 2HG GLN 31 3HG GLN 31 -12.763 26.090 -20.220 176 1HE2 GLN 31 1HE2 GLN 31 -13.007 28.199 -20.134 177 2HE2 GLN 31 2HE2 GLN 31 -12.304 29.371 -21.198 178 H LEU 32 HN LEU 32 -9.702 23.505 -17.993 179 HA LEU 32 HA LEU 32 -6.976 24.030 -17.954 180 1HB LEU 32 2HB LEU 32 -8.849 22.392 -16.289 181 2HB LEU 32 3HB LEU 32 -7.124 22.295 -15.999 182 HG LEU 32 HG LEU 32 -6.983 24.600 -15.413 183 1HD1 LEU 32 1HD1 LEU 32 -8.578 25.359 -17.226 184 2HD1 LEU 32 2HD1 LEU 32 -9.902 24.995 -16.093 185 3HD1 LEU 32 3HD1 LEU 32 -8.684 26.224 -15.674 186 1HD2 LEU 32 1HD2 LEU 32 -7.625 23.753 -13.436 187 2HD2 LEU 32 2HD2 LEU 32 -9.136 24.640 -13.747 188 3HD2 LEU 32 3HD2 LEU 32 -9.027 22.906 -14.132 189 H LYS 33 HN LYS 33 -8.783 20.953 -18.577 190 HA LYS 33 HA LYS 33 -6.555 19.336 -18.866 191 1HB LYS 33 2HB LYS 33 -9.173 18.879 -18.792 192 2HB LYS 33 3HB LYS 33 -8.997 18.868 -20.535 193 1HG LYS 33 2HG LYS 33 -7.687 16.948 -20.540 194 2HG LYS 33 3HG LYS 33 -6.946 17.312 -18.995 195 1HD LYS 33 2HD LYS 33 -8.336 15.511 -18.425 196 2HD LYS 33 3HD LYS 33 -9.352 16.875 -18.003 197 1HE LYS 33 2HE LYS 33 -10.090 16.604 -20.608 198 2HE LYS 33 3HE LYS 33 -9.611 14.947 -20.294 199 1HZ LYS 33 1HZ LYS 33 -11.214 14.722 -18.696 200 2HZ LYS 33 2HZ LYS 33 -11.342 16.322 -18.395 201 3HZ LYS 33 3HZ LYS 33 -11.981 15.695 -19.761 202 H ASP 34 HN ASP 34 -8.177 21.570 -21.154 203 HA ASP 34 HA ASP 34 -6.829 20.682 -23.409 204 1HB ASP 34 2HB ASP 34 -8.788 22.558 -22.839 205 2HB ASP 34 3HB ASP 34 -7.435 23.595 -23.245 206 H ILE 35 HN ILE 35 -6.112 23.084 -20.827 207 HA ILE 35 HA ILE 35 -3.876 24.235 -22.111 208 HB ILE 35 HB ILE 35 -4.634 24.146 -19.188 209 1HG1 ILE 35 2HG1 ILE 35 -5.146 26.541 -20.879 210 2HG1 ILE 35 3HG1 ILE 35 -6.191 25.159 -21.142 211 1HG2 ILE 35 1HG2 ILE 35 -2.429 24.845 -19.164 212 2HG2 ILE 35 2HG2 ILE 35 -2.562 25.681 -20.730 213 3HG2 ILE 35 3HG2 ILE 35 -3.315 26.385 -19.279 214 1HD1 ILE 35 1HD1 ILE 35 -6.404 27.068 -19.072 215 2HD1 ILE 35 2HD1 ILE 35 -7.310 25.542 -19.209 216 3HD1 ILE 35 3HD1 ILE 35 -5.792 25.596 -18.279 217 H PHE 36 HN PHE 36 -4.290 21.620 -19.645 218 HA PHE 36 HA PHE 36 -1.526 21.151 -19.392 219 1HB PHE 36 2HB PHE 36 -4.141 19.660 -18.842 220 2HB PHE 36 3HB PHE 36 -2.612 18.860 -18.539 221 HD1 PHE 36 HD1 PHE 36 -3.787 22.352 -17.908 222 HD2 PHE 36 HD2 PHE 36 -2.250 18.753 -16.267 223 HE1 PHE 36 HE1 PHE 36 -3.670 23.433 -15.646 224 HE2 PHE 36 HE2 PHE 36 -2.133 19.834 -14.005 225 HZ PHE 36 HZ PHE 36 -2.844 22.161 -13.722 226 H SER 37 HN SER 37 -4.001 20.111 -21.704 227 HA SER 37 HA SER 37 -2.768 17.796 -22.574 228 1HB SER 37 2HB SER 37 -4.711 17.761 -23.720 229 2HB SER 37 3HB SER 37 -5.002 19.444 -23.326 230 HG SER 37 HG SER 37 -3.598 18.373 -25.611 231 H GLU 38 HN GLU 38 -2.206 21.246 -23.273 232 HA GLU 38 HA GLU 38 -0.689 20.831 -25.586 233 1HB GLU 38 2HB GLU 38 -0.220 23.200 -23.777 234 2HB GLU 38 3HB GLU 38 -0.293 23.145 -25.527 235 1HG GLU 38 2HG GLU 38 -2.844 22.273 -24.794 236 2HG GLU 38 3HG GLU 38 -2.486 23.465 -23.561 237 H VAL 39 HN VAL 39 -0.089 20.076 -22.309 238 HA VAL 39 HA VAL 39 2.809 20.313 -22.675 239 HB VAL 39 HB VAL 39 1.199 19.788 -20.170 240 1HG1 VAL 39 1HG1 VAL 39 3.133 19.502 -19.085 241 2HG1 VAL 39 2HG1 VAL 39 3.914 19.377 -20.679 242 3HG1 VAL 39 3HG1 VAL 39 3.852 20.945 -19.839 243 1HG2 VAL 39 1HG2 VAL 39 1.469 22.097 -19.592 244 2HG2 VAL 39 2HG2 VAL 39 2.507 22.393 -21.008 245 3HG2 VAL 39 3HG2 VAL 39 0.778 22.035 -21.232 246 H GLY 40 HN GLY 40 0.189 18.149 -22.977 247 1HA GLY 40 1HA GLY 40 1.390 15.990 -23.892 248 2HA GLY 40 2HA GLY 40 1.725 15.793 -22.183 249 HA PRO 41 HA PRO 41 -2.497 14.214 -23.124 250 1HB PRO 41 2HB PRO 41 -2.060 11.526 -22.893 251 2HB PRO 41 3HB PRO 41 -2.083 12.364 -24.432 252 1HG PRO 41 2HG PRO 41 0.238 11.342 -22.913 253 2HG PRO 41 3HG PRO 41 0.143 11.787 -24.605 254 1HD PRO 41 2HD PRO 41 1.325 13.322 -22.490 255 2HD PRO 41 3HD PRO 41 1.127 13.816 -24.159 256 H VAL 42 HN VAL 42 -3.800 14.649 -21.472 257 HA VAL 42 HA VAL 42 -2.785 13.978 -18.850 258 HB VAL 42 HB VAL 42 -4.727 15.238 -18.070 259 1HG1 VAL 42 1HG1 VAL 42 -3.910 17.181 -20.059 260 2HG1 VAL 42 2HG1 VAL 42 -3.531 17.106 -18.322 261 3HG1 VAL 42 3HG1 VAL 42 -2.515 16.231 -19.493 262 1HG2 VAL 42 1HG2 VAL 42 -5.752 16.472 -20.361 263 2HG2 VAL 42 2HG2 VAL 42 -5.675 14.743 -20.776 264 3HG2 VAL 42 3HG2 VAL 42 -6.571 15.272 -19.333 265 H VAL 43 HN VAL 43 -3.244 12.116 -17.800 266 HA VAL 43 HA VAL 43 -4.841 10.149 -18.996 267 HB VAL 43 HB VAL 43 -3.456 10.537 -16.375 268 1HG1 VAL 43 1HG1 VAL 43 -5.501 9.466 -15.672 269 2HG1 VAL 43 2HG1 VAL 43 -5.393 8.285 -16.999 270 3HG1 VAL 43 3HG1 VAL 43 -4.199 8.253 -15.680 271 1HG2 VAL 43 1HG2 VAL 43 -1.850 9.370 -17.391 272 2HG2 VAL 43 2HG2 VAL 43 -2.977 8.032 -17.718 273 3HG2 VAL 43 3HG2 VAL 43 -2.829 9.374 -18.877 274 H SER 44 HN SER 44 -5.382 11.796 -15.798 275 HA SER 44 HA SER 44 -8.190 11.922 -16.529 276 1HB SER 44 2HB SER 44 -6.959 10.477 -14.215 277 2HB SER 44 3HB SER 44 -8.402 11.406 -13.858 278 HG SER 44 HG SER 44 -9.127 9.372 -14.464 279 H PHE 45 HN PHE 45 -9.412 13.421 -14.891 280 HA PHE 45 HA PHE 45 -7.789 15.252 -13.427 281 1HB PHE 45 2HB PHE 45 -7.744 15.814 -16.034 282 2HB PHE 45 3HB PHE 45 -9.408 16.312 -15.801 283 HD1 PHE 45 HD1 PHE 45 -8.577 17.282 -12.829 284 HD2 PHE 45 HD2 PHE 45 -7.278 18.135 -16.777 285 HE1 PHE 45 HE1 PHE 45 -7.795 19.547 -12.082 286 HE2 PHE 45 HE2 PHE 45 -6.496 20.400 -16.030 287 HZ PHE 45 HZ PHE 45 -6.764 21.079 -13.691 288 H ARG 46 HN ARG 46 -9.022 15.460 -11.621 289 HA ARG 46 HA ARG 46 -11.839 15.998 -12.077 290 1HB ARG 46 2HB ARG 46 -11.012 13.591 -11.084 291 2HB ARG 46 3HB ARG 46 -11.081 14.495 -9.584 292 1HG ARG 46 2HG ARG 46 -13.397 14.816 -9.710 293 2HG ARG 46 3HG ARG 46 -13.425 14.746 -11.461 294 1HD ARG 46 2HD ARG 46 -14.078 12.576 -11.307 295 2HD ARG 46 3HD ARG 46 -12.495 12.189 -10.663 296 HE ARG 46 HE ARG 46 -13.404 12.093 -8.492 297 1HH1 ARG 46 2HH2 ARG 46 -15.734 13.531 -10.703 298 2HH1 ARG 46 1HH2 ARG 46 -17.038 13.480 -9.565 299 1HH2 ARG 46 2HH1 ARG 46 -15.125 12.024 -6.990 300 2HH2 ARG 46 1HH1 ARG 46 -16.690 12.617 -7.439 301 H LEU 47 HN LEU 47 -12.556 17.818 -10.970 302 HA LEU 47 HA LEU 47 -10.708 18.903 -8.965 303 1HB LEU 47 2HB LEU 47 -11.594 21.084 -9.535 304 2HB LEU 47 3HB LEU 47 -10.896 20.283 -10.929 305 HG LEU 47 HG LEU 47 -13.131 19.723 -11.766 306 1HD1 LEU 47 1HD1 LEU 47 -15.055 21.043 -10.553 307 2HD1 LEU 47 2HD1 LEU 47 -14.569 19.420 -10.005 308 3HD1 LEU 47 3HD1 LEU 47 -13.993 20.863 -9.136 309 1HD2 LEU 47 1HD2 LEU 47 -11.896 22.140 -11.888 310 2HD2 LEU 47 2HD2 LEU 47 -13.375 21.713 -12.783 311 3HD2 LEU 47 3HD2 LEU 47 -13.490 22.607 -11.248 312 H VAL 48 HN VAL 48 -12.104 20.532 -7.448 313 HA VAL 48 HA VAL 48 -14.008 18.750 -6.182 314 HB VAL 48 HB VAL 48 -13.912 20.614 -4.427 315 1HG1 VAL 48 1HG1 VAL 48 -11.166 19.691 -4.468 316 2HG1 VAL 48 2HG1 VAL 48 -12.507 19.218 -3.397 317 3HG1 VAL 48 3HG1 VAL 48 -12.275 18.386 -4.953 318 1HG2 VAL 48 1HG2 VAL 48 -12.414 22.335 -4.576 319 2HG2 VAL 48 2HG2 VAL 48 -11.293 21.421 -5.614 320 3HG2 VAL 48 3HG2 VAL 48 -12.770 22.131 -6.309 321 H TYR 49 HN TYR 49 -16.164 18.896 -6.501 322 HA TYR 49 HA TYR 49 -17.180 21.479 -7.483 323 1HB TYR 49 2HB TYR 49 -17.385 18.617 -8.329 324 2HB TYR 49 3HB TYR 49 -18.957 19.377 -8.179 325 HD1 TYR 49 HD1 TYR 49 -19.044 21.846 -9.310 326 HD2 TYR 49 HD2 TYR 49 -16.378 18.687 -10.415 327 HE1 TYR 49 HE1 TYR 49 -18.755 22.886 -11.612 328 HE2 TYR 49 HE2 TYR 49 -16.098 19.737 -12.713 329 HH TYR 49 HH TYR 49 -17.162 21.192 -14.166 330 H ASP 50 HN ASP 50 -18.516 22.471 -6.063 331 HA ASP 50 HA ASP 50 -19.413 21.062 -3.793 332 1HB ASP 50 2HB ASP 50 -19.395 23.829 -4.811 333 2HB ASP 50 3HB ASP 50 -20.885 23.460 -3.966 334 H ARG 51 HN ARG 51 -21.142 19.619 -3.965 335 HA ARG 51 HA ARG 51 -22.959 19.809 -6.092 336 1HB ARG 51 2HB ARG 51 -22.818 18.115 -3.563 337 2HB ARG 51 3HB ARG 51 -24.187 17.987 -4.651 338 1HG ARG 51 2HG ARG 51 -22.638 17.452 -6.541 339 2HG ARG 51 3HG ARG 51 -21.266 17.589 -5.460 340 1HD ARG 51 2HD ARG 51 -22.931 15.805 -4.093 341 2HD ARG 51 3HD ARG 51 -23.201 15.366 -5.768 342 HE ARG 51 HE ARG 51 -21.098 14.374 -5.730 343 1HH1 ARG 51 2HH2 ARG 51 -21.078 17.084 -3.484 344 2HH1 ARG 51 1HH2 ARG 51 -19.434 16.834 -2.998 345 1HH2 ARG 51 2HH1 ARG 51 -18.930 14.045 -5.089 346 2HH2 ARG 51 1HH1 ARG 51 -18.204 15.094 -3.918 347 H GLU 52 HN GLU 52 -22.827 21.017 -2.769 348 HA GLU 52 HA GLU 52 -25.591 21.375 -2.454 349 1HB GLU 52 2HB GLU 52 -23.403 21.505 -0.797 350 2HB GLU 52 3HB GLU 52 -23.750 23.211 -0.994 351 1HG GLU 52 2HG GLU 52 -26.291 22.232 -0.581 352 2HG GLU 52 3HG GLU 52 -25.356 21.092 0.366 353 H THR 53 HN THR 53 -22.970 23.256 -3.949 354 HA THR 53 HA THR 53 -24.887 25.434 -4.450 355 HB THR 53 HB THR 53 -21.853 25.305 -4.158 356 HG1 THR 53 HG1 THR 53 -23.564 25.642 -2.387 357 1HG2 THR 53 1HG2 THR 53 -22.498 26.786 -6.142 358 2HG2 THR 53 2HG2 THR 53 -23.526 27.717 -5.026 359 3HG2 THR 53 3HG2 THR 53 -21.763 27.670 -4.783 360 H GLY 54 HN GLY 54 -23.598 22.658 -5.824 361 1HA GLY 54 1HA GLY 54 -23.477 21.897 -7.934 362 2HA GLY 54 2HA GLY 54 -24.664 23.119 -8.341 363 H LYS 55 HN LYS 55 -21.766 24.410 -6.917 364 HA LYS 55 HA LYS 55 -20.771 25.064 -9.604 365 1HB LYS 55 2HB LYS 55 -20.802 26.827 -7.136 366 2HB LYS 55 3HB LYS 55 -20.055 27.237 -8.666 367 1HG LYS 55 2HG LYS 55 -22.115 27.459 -9.780 368 2HG LYS 55 3HG LYS 55 -22.950 26.379 -8.681 369 1HD LYS 55 2HD LYS 55 -23.573 28.102 -7.338 370 2HD LYS 55 3HD LYS 55 -21.922 28.672 -7.203 371 1HE LYS 55 2HE LYS 55 -22.744 30.495 -8.341 372 2HE LYS 55 3HE LYS 55 -22.445 29.495 -9.748 373 1HZ LYS 55 1HZ LYS 55 -24.707 30.450 -9.578 374 2HZ LYS 55 2HZ LYS 55 -24.683 28.829 -9.774 375 3HZ LYS 55 3HZ LYS 55 -24.999 29.469 -8.305 376 HA PRO 56 HA PRO 56 -17.063 23.319 -8.241 377 1HB PRO 56 2HB PRO 56 -15.320 24.357 -10.072 378 2HB PRO 56 3HB PRO 56 -16.351 22.980 -10.404 379 1HG PRO 56 2HG PRO 56 -16.630 25.771 -11.335 380 2HG PRO 56 3HG PRO 56 -17.375 24.321 -11.976 381 1HD PRO 56 2HD PRO 56 -18.629 26.313 -10.337 382 2HD PRO 56 3HD PRO 56 -19.338 24.806 -10.882 383 H LYS 57 HN LYS 57 -15.503 23.576 -6.719 384 HA LYS 57 HA LYS 57 -15.486 25.935 -5.317 385 1HB LYS 57 2HB LYS 57 -13.268 23.873 -5.487 386 2HB LYS 57 3HB LYS 57 -13.495 25.044 -4.204 387 1HG LYS 57 2HG LYS 57 -15.890 23.367 -4.822 388 2HG LYS 57 3HG LYS 57 -14.522 22.492 -4.163 389 1HD LYS 57 2HD LYS 57 -14.875 24.965 -2.673 390 2HD LYS 57 3HD LYS 57 -16.408 24.121 -2.751 391 1HE LYS 57 2HE LYS 57 -15.641 22.838 -1.033 392 2HE LYS 57 3HE LYS 57 -14.615 22.048 -2.213 393 1HZ LYS 57 1HZ LYS 57 -13.370 22.915 -0.350 394 2HZ LYS 57 2HZ LYS 57 -12.903 23.643 -1.735 395 3HZ LYS 57 3HZ LYS 57 -13.861 24.438 -0.678 396 H GLY 58 HN GLY 58 -13.020 24.767 -7.720 397 1HA GLY 58 1HA GLY 58 -12.591 26.751 -9.326 398 2HA GLY 58 2HA GLY 58 -11.984 27.514 -7.870 399 H TYR 59 HN TYR 59 -11.274 24.491 -7.041 400 HA TYR 59 HA TYR 59 -8.801 24.385 -8.632 401 1HB TYR 59 2HB TYR 59 -7.623 24.085 -6.561 402 2HB TYR 59 3HB TYR 59 -8.856 25.241 -6.099 403 HD1 TYR 59 HD1 TYR 59 -8.128 21.575 -6.146 404 HD2 TYR 59 HD2 TYR 59 -10.339 24.760 -4.338 405 HE1 TYR 59 HE1 TYR 59 -8.944 19.989 -4.334 406 HE2 TYR 59 HE2 TYR 59 -11.148 23.164 -2.532 407 HH TYR 59 HH TYR 59 -10.713 21.176 -1.564 408 H GLY 60 HN GLY 60 -7.784 22.202 -8.699 409 1HA GLY 60 1HA GLY 60 -9.362 19.937 -7.883 410 2HA GLY 60 2HA GLY 60 -9.420 20.234 -9.609 411 H PHE 61 HN PHE 61 -8.337 17.976 -9.498 412 HA PHE 61 HA PHE 61 -5.442 18.422 -9.464 413 1HB PHE 61 2HB PHE 61 -7.064 16.000 -8.471 414 2HB PHE 61 3HB PHE 61 -5.313 16.060 -8.514 415 HD1 PHE 61 HD1 PHE 61 -4.086 17.543 -6.961 416 HD2 PHE 61 HD2 PHE 61 -8.298 17.085 -6.725 417 HE1 PHE 61 HE1 PHE 61 -4.062 18.516 -4.648 418 HE2 PHE 61 HE2 PHE 61 -8.274 18.058 -4.411 419 HZ PHE 61 HZ PHE 61 -6.156 18.762 -3.400 420 H CYS 62 HN CYS 62 -4.315 17.509 -11.181 421 HA CYS 62 HA CYS 62 -5.957 15.928 -13.025 422 1HB CYS 62 2HB CYS 62 -5.492 18.240 -13.856 423 2HB CYS 62 3HB CYS 62 -3.775 17.895 -13.793 424 HG CYS 62 HG CYS 62 -3.702 15.980 -15.466 425 H GLU 63 HN GLU 63 -5.155 13.872 -13.300 426 HA GLU 63 HA GLU 63 -2.432 13.429 -12.394 427 1HB GLU 63 2HB GLU 63 -3.874 11.961 -11.242 428 2HB GLU 63 3HB GLU 63 -4.884 11.679 -12.646 429 1HG GLU 63 2HG GLU 63 -3.059 10.393 -13.735 430 2HG GLU 63 3HG GLU 63 -1.993 10.726 -12.385 431 H TYR 64 HN TYR 64 -0.817 13.049 -13.855 432 HA TYR 64 HA TYR 64 -1.585 12.768 -16.643 433 1HB TYR 64 2HB TYR 64 0.809 13.489 -14.922 434 2HB TYR 64 3HB TYR 64 1.172 12.824 -16.502 435 HD1 TYR 64 HD1 TYR 64 0.541 14.046 -18.559 436 HD2 TYR 64 HD2 TYR 64 -0.138 15.710 -14.677 437 HE1 TYR 64 HE1 TYR 64 0.211 16.344 -19.595 438 HE2 TYR 64 HE2 TYR 64 -0.465 18.003 -15.725 439 HH TYR 64 HH TYR 64 -0.770 18.396 -19.141 440 H GLN 65 HN GLN 65 0.401 11.368 -17.819 441 HA GLN 65 HA GLN 65 0.071 8.748 -16.591 442 1HB GLN 65 2HB GLN 65 -0.651 9.529 -19.105 443 2HB GLN 65 3HB GLN 65 0.979 8.975 -19.432 444 1HG GLN 65 2HG GLN 65 0.449 6.773 -19.062 445 2HG GLN 65 3HG GLN 65 -0.556 7.142 -17.674 446 1HE2 GLN 65 1HE2 GLN 65 -2.117 5.688 -18.390 447 2HE2 GLN 65 2HE2 GLN 65 -3.217 6.051 -19.678 448 H ASP 66 HN ASP 66 2.331 11.259 -17.270 449 HA ASP 66 HA ASP 66 4.479 9.383 -16.698 450 1HB ASP 66 2HB ASP 66 5.150 11.805 -18.319 451 2HB ASP 66 3HB ASP 66 5.832 10.193 -18.399 452 H GLN 67 HN GLN 67 5.889 10.155 -15.059 453 HA GLN 67 HA GLN 67 5.034 12.245 -13.485 454 1HB GLN 67 2HB GLN 67 7.271 10.353 -13.556 455 2HB GLN 67 3HB GLN 67 7.785 11.911 -12.941 456 1HG GLN 67 2HG GLN 67 5.757 11.853 -11.372 457 2HG GLN 67 3HG GLN 67 5.486 10.201 -11.890 458 1HE2 GLN 67 1HE2 GLN 67 6.133 8.842 -10.416 459 2HE2 GLN 67 2HE2 GLN 67 7.593 8.910 -9.487 460 H GLU 68 HN GLU 68 7.656 12.077 -15.972 461 HA GLU 68 HA GLU 68 8.630 14.622 -15.544 462 1HB GLU 68 2HB GLU 68 9.878 12.998 -16.849 463 2HB GLU 68 3HB GLU 68 8.589 12.862 -18.029 464 1HG GLU 68 2HG GLU 68 10.212 14.305 -19.036 465 2HG GLU 68 3HG GLU 68 8.915 15.364 -18.518 466 H THR 69 HN THR 69 5.868 13.412 -17.475 467 HA THR 69 HA THR 69 5.411 15.825 -18.880 468 HB THR 69 HB THR 69 3.536 13.511 -18.157 469 HG1 THR 69 HG1 THR 69 4.394 12.786 -20.276 470 1HG2 THR 69 1HG2 THR 69 2.711 15.800 -19.328 471 2HG2 THR 69 2HG2 THR 69 3.484 15.059 -20.750 472 3HG2 THR 69 3HG2 THR 69 2.156 14.215 -19.918 473 H ALA 70 HN ALA 70 4.214 14.513 -15.752 474 HA ALA 70 HA ALA 70 2.370 16.613 -15.347 475 1HB ALA 70 1HB ALA 70 3.426 15.393 -12.914 476 2HB ALA 70 2HB ALA 70 1.792 15.299 -13.612 477 3HB ALA 70 3HB ALA 70 3.056 14.168 -14.151 478 H LEU 71 HN LEU 71 5.824 16.067 -14.500 479 HA LEU 71 HA LEU 71 6.010 18.377 -12.876 480 1HB LEU 71 2HB LEU 71 7.781 16.281 -13.928 481 2HB LEU 71 3HB LEU 71 8.559 17.837 -13.716 482 HG LEU 71 HG LEU 71 6.953 16.554 -11.504 483 1HD1 LEU 71 1HD1 LEU 71 8.450 14.907 -11.406 484 2HD1 LEU 71 2HD1 LEU 71 9.527 15.702 -12.580 485 3HD1 LEU 71 3HD1 LEU 71 9.613 16.139 -10.857 486 1HD2 LEU 71 1HD2 LEU 71 8.267 19.053 -11.809 487 2HD2 LEU 71 2HD2 LEU 71 7.453 18.391 -10.372 488 3HD2 LEU 71 3HD2 LEU 71 9.190 18.099 -10.623 489 H SER 72 HN SER 72 6.563 17.651 -16.353 490 HA SER 72 HA SER 72 7.739 20.094 -16.945 491 1HB SER 72 2HB SER 72 7.248 19.526 -19.291 492 2HB SER 72 3HB SER 72 7.844 18.119 -18.432 493 HG SER 72 HG SER 72 5.016 18.621 -18.656 494 H ALA 73 HN ALA 73 4.332 18.970 -16.781 495 HA ALA 73 HA ALA 73 3.210 21.259 -17.986 496 1HB ALA 73 1HB ALA 73 1.430 20.017 -16.091 497 2HB ALA 73 2HB ALA 73 1.413 19.918 -17.868 498 3HB ALA 73 3HB ALA 73 2.367 18.752 -16.921 499 H MET 74 HN MET 74 4.118 20.359 -14.630 500 HA MET 74 HA MET 74 2.817 22.466 -13.390 501 1HB MET 74 2HB MET 74 4.639 20.323 -12.731 502 2HB MET 74 3HB MET 74 5.319 21.788 -12.052 503 1HG MET 74 2HG MET 74 2.866 22.227 -11.164 504 2HG MET 74 3HG MET 74 2.623 20.518 -11.469 505 1HE MET 74 1HE MET 74 5.741 19.079 -9.408 506 2HE MET 74 2HE MET 74 4.586 18.748 -10.721 507 3HE MET 74 3HE MET 74 5.952 19.855 -10.996 508 H ARG 75 HN ARG 75 6.204 22.145 -14.637 509 HA ARG 75 HA ARG 75 6.831 24.782 -13.834 510 1HB ARG 75 2HB ARG 75 8.450 22.773 -14.147 511 2HB ARG 75 3HB ARG 75 8.347 23.084 -15.869 512 1HG ARG 75 2HG ARG 75 8.842 25.627 -14.748 513 2HG ARG 75 3HG ARG 75 9.843 24.545 -13.799 514 1HD ARG 75 2HD ARG 75 10.290 23.601 -16.377 515 2HD ARG 75 3HD ARG 75 10.087 25.319 -16.660 516 HE ARG 75 HE ARG 75 11.858 24.726 -14.402 517 1HH1 ARG 75 2HH2 ARG 75 11.682 25.170 -17.888 518 2HH1 ARG 75 1HH2 ARG 75 13.357 25.582 -18.049 519 1HH2 ARG 75 2HH1 ARG 75 14.067 25.270 -14.613 520 2HH2 ARG 75 1HH1 ARG 75 14.723 25.639 -16.173 521 H ASN 76 HN ASN 76 5.440 23.206 -16.665 522 HA ASN 76 HA ASN 76 6.098 25.287 -18.464 523 1HB ASN 76 2HB ASN 76 4.248 22.874 -18.519 524 2HB ASN 76 3HB ASN 76 4.140 24.068 -19.798 525 1HD2 ASN 76 1HD2 ASN 76 4.752 22.155 -21.070 526 2HD2 ASN 76 2HD2 ASN 76 6.431 21.806 -21.317 527 H LEU 77 HN LEU 77 3.683 24.677 -16.004 528 HA LEU 77 HA LEU 77 2.018 26.846 -17.078 529 1HB LEU 77 2HB LEU 77 1.255 24.536 -15.286 530 2HB LEU 77 3HB LEU 77 0.196 25.860 -15.729 531 HG LEU 77 HG LEU 77 1.467 24.074 -17.807 532 1HD1 LEU 77 1HD1 LEU 77 0.234 22.361 -17.125 533 2HD1 LEU 77 2HD1 LEU 77 -0.550 23.351 -15.871 534 3HD1 LEU 77 3HD1 LEU 77 -1.218 23.311 -17.520 535 1HD2 LEU 77 1HD2 LEU 77 -0.350 24.843 -19.224 536 2HD2 LEU 77 2HD2 LEU 77 -1.026 25.796 -17.881 537 3HD2 LEU 77 3HD2 LEU 77 0.557 26.229 -18.571 538 H ASN 78 HN ASN 78 1.907 25.496 -13.779 539 HA ASN 78 HA ASN 78 1.732 26.833 -11.960 540 1HB ASN 78 2HB ASN 78 4.048 27.069 -11.022 541 2HB ASN 78 3HB ASN 78 3.819 25.510 -11.789 542 1HD2 ASN 78 1HD2 ASN 78 6.162 27.375 -11.281 543 2HD2 ASN 78 2HD2 ASN 78 6.996 27.485 -12.795 544 H GLY 79 HN GLY 79 0.684 28.845 -12.614 545 1HA GLY 79 1HA GLY 79 0.833 31.158 -12.331 546 2HA GLY 79 2HA GLY 79 2.528 31.120 -12.774 547 H ARG 80 HN ARG 80 0.262 29.204 -14.689 548 HA ARG 80 HA ARG 80 0.902 30.836 -16.938 549 1HB ARG 80 2HB ARG 80 0.923 28.484 -17.384 550 2HB ARG 80 3HB ARG 80 -0.584 28.215 -16.531 551 1HG ARG 80 2HG ARG 80 -0.929 28.098 -18.983 552 2HG ARG 80 3HG ARG 80 -1.840 29.425 -18.289 553 1HD ARG 80 2HD ARG 80 0.063 30.990 -18.920 554 2HD ARG 80 3HD ARG 80 0.849 29.647 -19.725 555 HE ARG 80 HE ARG 80 -1.932 30.107 -20.574 556 1HH1 ARG 80 2HH2 ARG 80 1.460 30.832 -21.167 557 2HH1 ARG 80 1HH2 ARG 80 1.204 31.297 -22.816 558 1HH2 ARG 80 2HH1 ARG 80 -2.270 30.720 -22.749 559 2HH2 ARG 80 1HH1 ARG 80 -0.932 31.233 -23.722 560 H GLU 81 HN GLU 81 -0.363 32.536 -17.628 561 HA GLU 81 HA GLU 81 -2.736 33.152 -16.315 562 1HB GLU 81 2HB GLU 81 -1.770 34.217 -19.004 563 2HB GLU 81 3HB GLU 81 -2.901 35.003 -17.921 564 1HG GLU 81 2HG GLU 81 -1.248 35.677 -16.442 565 2HG GLU 81 3HG GLU 81 -0.266 34.251 -16.714 566 H PHE 82 HN PHE 82 -4.933 32.966 -16.928 567 HA PHE 82 HA PHE 82 -5.767 32.124 -19.451 568 1HB PHE 82 2HB PHE 82 -4.561 30.028 -18.467 569 2HB PHE 82 3HB PHE 82 -5.808 29.992 -17.235 570 HD1 PHE 82 HD1 PHE 82 -4.975 29.200 -20.660 571 HD2 PHE 82 HD2 PHE 82 -8.172 29.543 -17.892 572 HE1 PHE 82 HE1 PHE 82 -6.436 27.838 -22.180 573 HE2 PHE 82 HE2 PHE 82 -9.634 28.181 -19.411 574 HZ PHE 82 HZ PHE 82 -8.748 27.345 -21.537 575 H SER 83 HN SER 83 -8.052 32.173 -19.622 576 HA SER 83 HA SER 83 -10.063 32.781 -19.079 577 1HB SER 83 2HB SER 83 -9.271 31.211 -16.626 578 2HB SER 83 3HB SER 83 -10.803 32.063 -16.616 579 HG SER 83 HG SER 83 -11.477 30.238 -17.558 580 H GLY 84 HN GLY 84 -7.554 34.449 -18.255 581 1HA GLY 84 1HA GLY 84 -7.431 36.643 -17.627 582 2HA GLY 84 2HA GLY 84 -9.056 36.567 -16.976 583 H ARG 85 HN ARG 85 -6.984 33.931 -16.011 584 HA ARG 85 HA ARG 85 -6.096 35.352 -13.674 585 1HB ARG 85 2HB ARG 85 -8.179 33.176 -13.684 586 2HB ARG 85 3HB ARG 85 -6.985 33.114 -12.403 587 1HG ARG 85 2HG ARG 85 -8.043 35.841 -12.819 588 2HG ARG 85 3HG ARG 85 -9.305 34.692 -12.422 589 1HD ARG 85 2HD ARG 85 -8.117 33.999 -10.382 590 2HD ARG 85 3HD ARG 85 -6.721 34.967 -10.813 591 HE ARG 85 HE ARG 85 -9.116 36.600 -10.712 592 1HH1 ARG 85 2HH2 ARG 85 -6.698 35.050 -8.679 593 2HH1 ARG 85 1HH2 ARG 85 -6.901 36.164 -7.368 594 1HH2 ARG 85 2HH1 ARG 85 -9.383 38.070 -8.984 595 2HH2 ARG 85 1HH1 ARG 85 -8.438 37.894 -7.543 596 H ALA 86 HN ALA 86 -4.381 34.141 -12.493 597 HA ALA 86 HA ALA 86 -2.785 32.617 -14.292 598 1HB ALA 86 1HB ALA 86 -2.549 33.949 -11.683 599 2HB ALA 86 2HB ALA 86 -1.657 32.410 -11.758 600 3HB ALA 86 3HB ALA 86 -1.322 33.690 -12.947 601 H LEU 87 HN LEU 87 -2.245 30.401 -14.204 602 HA LEU 87 HA LEU 87 -4.196 28.814 -12.711 603 1HB LEU 87 2HB LEU 87 -2.790 28.544 -15.300 604 2HB LEU 87 3HB LEU 87 -2.997 27.064 -14.383 605 HG LEU 87 HG LEU 87 -4.794 27.988 -16.153 606 1HD1 LEU 87 1HD1 LEU 87 -6.474 26.546 -15.008 607 2HD1 LEU 87 2HD1 LEU 87 -4.875 25.786 -15.200 608 3HD1 LEU 87 3HD1 LEU 87 -5.368 26.434 -13.617 609 1HD2 LEU 87 1HD2 LEU 87 -6.007 28.920 -13.554 610 2HD2 LEU 87 2HD2 LEU 87 -5.132 30.026 -14.640 611 3HD2 LEU 87 3HD2 LEU 87 -6.584 29.175 -15.218 612 H ARG 88 HN ARG 88 -3.352 28.604 -10.653 613 HA ARG 88 HA ARG 88 -0.594 28.217 -10.275 614 1HB ARG 88 2HB ARG 88 -2.993 28.577 -8.633 615 2HB ARG 88 3HB ARG 88 -1.989 27.310 -7.956 616 1HG ARG 88 2HG ARG 88 -0.184 28.750 -7.552 617 2HG ARG 88 3HG ARG 88 -0.619 29.841 -8.853 618 1HD ARG 88 2HD ARG 88 -2.441 30.802 -7.566 619 2HD ARG 88 3HD ARG 88 -2.342 29.541 -6.354 620 HE ARG 88 HE ARG 88 0.140 31.086 -6.689 621 1HH1 ARG 88 2HH2 ARG 88 -2.916 30.814 -4.966 622 2HH1 ARG 88 1HH2 ARG 88 -2.386 31.761 -3.616 623 1HH2 ARG 88 2HH1 ARG 88 0.840 32.336 -4.909 624 2HH2 ARG 88 1HH1 ARG 88 -0.235 32.633 -3.583 625 H VAL 89 HN VAL 89 0.513 26.314 -10.599 626 HA VAL 89 HA VAL 89 -0.980 23.822 -10.164 627 HB VAL 89 HB VAL 89 1.045 24.415 -12.333 628 1HG1 VAL 89 1HG1 VAL 89 -0.645 21.927 -12.162 629 2HG1 VAL 89 2HG1 VAL 89 0.876 22.204 -13.044 630 3HG1 VAL 89 3HG1 VAL 89 0.892 22.040 -11.271 631 1HG2 VAL 89 1HG2 VAL 89 -1.804 24.835 -12.218 632 2HG2 VAL 89 2HG2 VAL 89 -0.665 25.181 -13.541 633 3HG2 VAL 89 3HG2 VAL 89 -1.430 23.579 -13.422 634 H ASP 90 HN ASP 90 -0.100 22.592 -8.586 635 HA ASP 90 HA ASP 90 2.772 22.773 -8.243 636 1HB ASP 90 2HB ASP 90 1.529 22.443 -5.655 637 2HB ASP 90 3HB ASP 90 2.631 23.700 -6.179 638 H ASN 91 HN ASN 91 3.636 20.808 -7.093 639 HA ASN 91 HA ASN 91 2.646 18.487 -7.977 640 1HB ASN 91 2HB ASN 91 4.732 19.290 -6.272 641 2HB ASN 91 3HB ASN 91 3.790 18.222 -5.251 642 1HD2 ASN 91 1HD2 ASN 91 3.722 16.072 -5.625 643 2HD2 ASN 91 2HD2 ASN 91 4.652 15.245 -6.829 644 H ALA 92 HN ALA 92 0.770 17.323 -7.517 645 HA ALA 92 HA ALA 92 -1.036 18.195 -5.557 646 1HB ALA 92 1HB ALA 92 -2.379 16.356 -6.305 647 2HB ALA 92 2HB ALA 92 -1.502 16.955 -7.734 648 3HB ALA 92 3HB ALA 92 -0.955 15.475 -6.909 649 H ALA 93 HN ALA 93 1.880 16.415 -5.316 650 HA ALA 93 HA ALA 93 0.988 14.887 -3.011 651 1HB ALA 93 1HB ALA 93 2.644 14.204 -4.981 652 2HB ALA 93 2HB ALA 93 3.841 15.019 -3.945 653 3HB ALA 93 3HB ALA 93 2.912 13.637 -3.315 654 H SER 94 HN SER 94 1.050 17.930 -3.118 655 HA SER 94 HA SER 94 3.255 18.615 -1.459 656 1HB SER 94 2HB SER 94 0.901 20.045 -2.666 657 2HB SER 94 3HB SER 94 1.665 20.789 -1.275 658 HG SER 94 HG SER 94 3.761 20.357 -2.572 659 H GLU 95 HN GLU 95 3.031 19.493 0.769 660 HA GLU 95 HA GLU 95 1.408 17.827 2.320 661 1HB GLU 95 2HB GLU 95 3.608 18.732 3.061 662 2HB GLU 95 3HB GLU 95 2.936 20.350 3.101 663 1HG GLU 95 2HG GLU 95 1.532 19.868 4.955 664 2HG GLU 95 3HG GLU 95 1.588 18.139 4.677 665 H LYS 96 HN LYS 96 1.072 21.133 1.036 666 HA LYS 96 HA LYS 96 -1.195 21.709 2.710 667 1HB LYS 96 2HB LYS 96 0.196 23.178 0.462 668 2HB LYS 96 3HB LYS 96 -1.283 23.767 1.192 669 1HG LYS 96 2HG LYS 96 0.696 22.967 3.224 670 2HG LYS 96 3HG LYS 96 1.331 24.192 2.145 671 1HD LYS 96 2HD LYS 96 0.009 25.811 3.047 672 2HD LYS 96 3HD LYS 96 -1.428 24.818 2.912 673 1HE LYS 96 2HE LYS 96 -1.288 24.969 5.229 674 2HE LYS 96 3HE LYS 96 -0.346 23.513 4.982 675 1HZ LYS 96 1HZ LYS 96 0.695 25.261 6.384 676 2HZ LYS 96 2HZ LYS 96 1.630 24.731 5.154 677 3HZ LYS 96 3HZ LYS 96 0.879 26.177 5.044 678 H ASN 97 HN ASN 97 -0.503 20.463 -0.557 679 HA ASN 97 HA ASN 97 -3.124 20.808 -1.492 680 1HB ASN 97 2HB ASN 97 -0.789 19.036 -2.351 681 2HB ASN 97 3HB ASN 97 -2.322 18.994 -3.199 682 1HD2 ASN 97 1HD2 ASN 97 -0.182 19.666 -4.609 683 2HD2 ASN 97 2HD2 ASN 97 -0.142 21.352 -5.002 684 H LYS 98 HN LYS 98 -1.522 18.563 0.656 685 HA LYS 98 HA LYS 98 -3.047 16.259 0.160 686 1HB LYS 98 2HB LYS 98 -1.885 15.345 1.899 687 2HB LYS 98 3HB LYS 98 -0.822 16.685 1.519 688 1HG LYS 98 2HG LYS 98 -1.042 16.976 3.823 689 2HG LYS 98 3HG LYS 98 -2.333 18.016 3.256 690 1HD LYS 98 2HD LYS 98 -3.772 15.754 3.404 691 2HD LYS 98 3HD LYS 98 -2.517 15.287 4.535 692 1HE LYS 98 2HE LYS 98 -3.329 18.010 5.127 693 2HE LYS 98 3HE LYS 98 -4.764 17.012 5.008 694 1HZ LYS 98 1HZ LYS 98 -4.236 15.998 6.881 695 2HZ LYS 98 2HZ LYS 98 -2.690 15.719 6.435 696 3HZ LYS 98 3HZ LYS 98 -3.096 17.142 7.126 697 H GLU 99 HN GLU 99 -3.553 19.184 2.162 698 HA GLU 99 HA GLU 99 -5.695 18.175 3.608 699 1HB GLU 99 2HB GLU 99 -4.639 20.914 2.945 700 2HB GLU 99 3HB GLU 99 -6.245 20.806 3.638 701 1HG GLU 99 2HG GLU 99 -4.998 19.139 5.355 702 2HG GLU 99 3HG GLU 99 -3.592 20.062 4.861 703 H GLU 100 HN GLU 100 -5.422 19.642 0.363 704 HA GLU 100 HA GLU 100 -8.191 20.045 0.068 705 1HB GLU 100 2HB GLU 100 -5.843 19.975 -1.854 706 2HB GLU 100 3HB GLU 100 -7.482 20.166 -2.444 707 1HG GLU 100 2HG GLU 100 -6.651 21.945 -0.168 708 2HG GLU 100 3HG GLU 100 -5.924 22.273 -1.728 709 H LEU 101 HN LEU 101 -5.875 17.438 -0.852 710 HA LEU 101 HA LEU 101 -7.707 15.936 -2.347 711 1HB LEU 101 2HB LEU 101 -5.092 15.393 -0.992 712 2HB LEU 101 3HB LEU 101 -6.022 14.061 -1.650 713 HG LEU 101 HG LEU 101 -5.843 16.149 -3.626 714 1HD1 LEU 101 1HD1 LEU 101 -3.692 16.774 -3.726 715 2HD1 LEU 101 2HD1 LEU 101 -3.658 16.335 -2.001 716 3HD1 LEU 101 3HD1 LEU 101 -3.094 15.173 -3.225 717 1HD2 LEU 101 1HD2 LEU 101 -4.926 13.281 -3.414 718 2HD2 LEU 101 2HD2 LEU 101 -6.304 13.952 -4.319 719 3HD2 LEU 101 3HD2 LEU 101 -4.641 14.270 -4.866 720 H LYS 102 HN LYS 102 -7.059 16.248 1.141 721 HA LYS 102 HA LYS 102 -8.208 13.945 2.072 722 1HB LYS 102 2HB LYS 102 -7.026 15.953 3.268 723 2HB LYS 102 3HB LYS 102 -8.651 16.579 3.457 724 1HG LYS 102 2HG LYS 102 -9.333 14.377 4.504 725 2HG LYS 102 3HG LYS 102 -7.668 13.842 4.393 726 1HD LYS 102 2HD LYS 102 -7.602 16.426 5.626 727 2HD LYS 102 3HD LYS 102 -8.901 15.543 6.402 728 1HE LYS 102 2HE LYS 102 -6.829 13.641 6.197 729 2HE LYS 102 3HE LYS 102 -5.991 15.128 6.594 730 1HZ LYS 102 1HZ LYS 102 -7.530 15.414 8.435 731 2HZ LYS 102 2HZ LYS 102 -8.263 13.999 8.077 732 3HZ LYS 102 3HZ LYS 102 -6.704 14.011 8.565 733 H SER 103 HN SER 103 -9.708 16.765 0.552 734 HA SER 103 HA SER 103 -12.313 15.972 1.437 735 1HB SER 103 2HB SER 103 -11.143 18.371 0.549 736 2HB SER 103 3HB SER 103 -12.219 17.924 -0.761 737 HG SER 103 HG SER 103 -13.175 19.252 1.020 738 H LEU 104 HN LEU 104 -10.188 15.681 -1.410 739 HA LEU 104 HA LEU 104 -12.350 14.585 -3.005 740 1HB LEU 104 2HB LEU 104 -10.081 16.078 -3.562 741 2HB LEU 104 3HB LEU 104 -9.657 14.469 -4.115 742 HG LEU 104 HG LEU 104 -11.468 14.402 -5.658 743 1HD1 LEU 104 1HD1 LEU 104 -12.910 16.658 -5.739 744 2HD1 LEU 104 2HD1 LEU 104 -13.385 15.234 -4.782 745 3HD1 LEU 104 3HD1 LEU 104 -12.568 16.605 -3.993 746 1HD2 LEU 104 1HD2 LEU 104 -9.609 15.590 -6.540 747 2HD2 LEU 104 2HD2 LEU 104 -11.072 16.481 -7.024 748 3HD2 LEU 104 3HD2 LEU 104 -10.067 17.082 -5.684 749 H GLY 105 HN GLY 105 -10.759 13.435 -0.447 750 1HA GLY 105 1HA GLY 105 -9.516 11.065 -1.334 751 2HA GLY 105 2HA GLY 105 -10.116 11.405 0.278 752 H THR 106 HN THR 106 -12.736 11.508 0.313 753 HA THR 106 HA THR 106 -13.613 9.060 -1.071 754 HB THR 106 HB THR 106 -13.364 9.160 1.529 755 HG1 THR 106 HG1 THR 106 -15.825 8.640 0.025 756 1HG2 THR 106 1HG2 THR 106 -16.140 10.220 1.622 757 2HG2 THR 106 2HG2 THR 106 -14.796 10.479 2.760 758 3HG2 THR 106 3HG2 THR 106 -14.914 11.465 1.283 759 H GLY 107 HN GLY 107 -15.476 9.041 -2.263 760 1HA GLY 107 1HA GLY 107 -17.070 11.515 -2.292 761 2HA GLY 107 2HA GLY 107 -16.368 10.921 -3.784 762 H ALA 108 HN ALA 108 -18.938 11.012 -4.100 763 HA ALA 108 HA ALA 108 -19.761 8.264 -4.095 764 1HB ALA 108 1HB ALA 108 -20.575 10.003 -1.948 765 2HB ALA 108 2HB ALA 108 -21.991 9.638 -2.963 766 3HB ALA 108 3HB ALA 108 -21.040 8.312 -2.251 767 HA PRO 109 HA PRO 109 -21.786 9.769 -7.606 768 1HB PRO 109 2HB PRO 109 -23.752 7.911 -7.996 769 2HB PRO 109 3HB PRO 109 -22.081 7.648 -8.453 770 1HG PRO 109 2HG PRO 109 -23.572 6.530 -6.159 771 2HG PRO 109 3HG PRO 109 -22.072 5.970 -6.871 772 1HD PRO 109 2HD PRO 109 -22.365 7.447 -4.430 773 2HD PRO 109 3HD PRO 109 -20.861 6.987 -5.203 774 H VAL 110 HN VAL 110 -23.598 10.864 -8.559 775 HA VAL 110 HA VAL 110 -25.706 11.367 -6.599 776 HB VAL 110 HB VAL 110 -23.951 13.102 -6.372 777 1HG1 VAL 110 1HG1 VAL 110 -23.474 14.669 -8.114 778 2HG1 VAL 110 2HG1 VAL 110 -23.268 13.041 -8.804 779 3HG1 VAL 110 3HG1 VAL 110 -24.735 13.983 -9.166 780 1HG2 VAL 110 1HG2 VAL 110 -26.727 13.807 -7.315 781 2HG2 VAL 110 2HG2 VAL 110 -26.056 13.823 -5.667 782 3HG2 VAL 110 3HG2 VAL 110 -25.576 15.076 -6.835 783 H ILE 111 HN ILE 111 -27.742 11.804 -7.531 784 HA ILE 111 HA ILE 111 -29.313 11.492 -9.062 785 HB ILE 111 HB ILE 111 -27.349 13.204 -10.571 786 1HG1 ILE 111 2HG1 ILE 111 -29.995 14.177 -9.611 787 2HG1 ILE 111 3HG1 ILE 111 -28.791 13.831 -8.385 788 1HG2 ILE 111 1HG2 ILE 111 -28.753 11.932 -12.169 789 2HG2 ILE 111 2HG2 ILE 111 -30.204 12.596 -11.381 790 3HG2 ILE 111 3HG2 ILE 111 -29.060 13.685 -12.202 791 1HD1 ILE 111 1HD1 ILE 111 -27.621 15.702 -8.899 792 2HD1 ILE 111 2HD1 ILE 111 -27.573 15.263 -10.624 793 3HD1 ILE 111 3HD1 ILE 111 -28.966 16.160 -9.972 Start of MODEL 16 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 2.895 0.698 -1.086 3 1HB ASP 8 2HB ASP 8 3.313 -1.689 -0.793 4 2HB ASP 8 3HB ASP 8 1.776 -2.104 -1.525 5 HA PRO 9 HA PRO 9 -0.742 1.753 -3.627 6 1HB PRO 9 2HB PRO 9 -0.264 4.435 -3.841 7 2HB PRO 9 3HB PRO 9 -1.293 3.740 -2.604 8 1HG PRO 9 2HG PRO 9 1.452 4.807 -2.348 9 2HG PRO 9 3HG PRO 9 0.268 4.510 -1.090 10 1HD PRO 9 2HD PRO 9 2.553 2.891 -1.713 11 2HD PRO 9 3HD PRO 9 1.306 2.535 -0.534 12 H ALA 10 HN ALA 10 2.345 3.422 -4.088 13 HA ALA 10 HA ALA 10 2.941 2.033 -6.430 14 1HB ALA 10 1HB ALA 10 0.882 3.422 -7.145 15 2HB ALA 10 2HB ALA 10 1.953 4.838 -7.019 16 3HB ALA 10 3HB ALA 10 2.337 3.530 -8.164 17 H VAL 11 HN VAL 11 4.925 1.991 -5.222 18 HA VAL 11 HA VAL 11 6.179 4.399 -4.414 19 HB VAL 11 HB VAL 11 7.361 1.654 -4.874 20 1HG1 VAL 11 1HG1 VAL 11 9.053 2.318 -3.266 21 2HG1 VAL 11 2HG1 VAL 11 8.999 3.502 -4.594 22 3HG1 VAL 11 3HG1 VAL 11 8.255 3.891 -3.024 23 1HG2 VAL 11 1HG2 VAL 11 6.962 1.432 -2.357 24 2HG2 VAL 11 2HG2 VAL 11 5.842 2.805 -2.523 25 3HG2 VAL 11 3HG2 VAL 11 5.536 1.295 -3.413 26 H ASP 12 HN ASP 12 6.133 2.415 -7.372 27 HA ASP 12 HA ASP 12 8.429 3.520 -8.495 28 1HB ASP 12 2HB ASP 12 6.505 1.579 -9.178 29 2HB ASP 12 3HB ASP 12 6.319 2.796 -10.425 30 H ARG 13 HN ARG 13 4.964 4.431 -8.370 31 HA ARG 13 HA ARG 13 4.902 6.221 -10.432 32 1HB ARG 13 2HB ARG 13 3.097 5.333 -8.585 33 2HB ARG 13 3HB ARG 13 3.399 6.927 -7.923 34 1HG ARG 13 2HG ARG 13 1.994 7.804 -9.468 35 2HG ARG 13 3HG ARG 13 3.110 7.319 -10.728 36 1HD ARG 13 2HD ARG 13 1.546 5.857 -11.483 37 2HD ARG 13 3HD ARG 13 1.752 4.931 -10.009 38 HE ARG 13 HE ARG 13 0.000 7.230 -9.619 39 1HH1 ARG 13 2HH2 ARG 13 0.115 3.908 -10.774 40 2HH1 ARG 13 1HH2 ARG 13 -1.570 3.620 -10.501 41 1HH2 ARG 13 2HH1 ARG 13 -2.224 6.850 -9.258 42 2HH2 ARG 13 1HH1 ARG 13 -2.910 5.304 -9.633 43 H SER 14 HN SER 14 6.086 6.544 -7.064 44 HA SER 14 HA SER 14 6.243 9.300 -6.995 45 1HB SER 14 2HB SER 14 7.230 7.023 -5.434 46 2HB SER 14 3HB SER 14 8.401 8.327 -5.453 47 HG SER 14 HG SER 14 6.736 9.783 -4.702 48 H LEU 15 HN LEU 15 8.499 6.773 -8.211 49 HA LEU 15 HA LEU 15 10.636 8.570 -8.678 50 1HB LEU 15 2HB LEU 15 9.992 5.767 -9.556 51 2HB LEU 15 3HB LEU 15 11.402 6.614 -10.159 52 HG LEU 15 HG LEU 15 11.940 6.988 -7.618 53 1HD1 LEU 15 1HD1 LEU 15 9.630 5.222 -7.506 54 2HD1 LEU 15 2HD1 LEU 15 11.050 4.522 -6.693 55 3HD1 LEU 15 3HD1 LEU 15 10.449 6.126 -6.209 56 1HD2 LEU 15 1HD2 LEU 15 12.756 5.159 -9.567 57 2HD2 LEU 15 2HD2 LEU 15 13.598 5.576 -8.055 58 3HD2 LEU 15 3HD2 LEU 15 12.490 4.184 -8.101 59 H ARG 16 HN ARG 16 7.582 8.121 -10.162 60 HA ARG 16 HA ARG 16 8.623 9.151 -12.669 61 1HB ARG 16 2HB ARG 16 5.927 7.885 -11.971 62 2HB ARG 16 3HB ARG 16 6.299 8.553 -13.547 63 1HG ARG 16 2HG ARG 16 8.487 6.904 -13.128 64 2HG ARG 16 3HG ARG 16 7.223 6.013 -12.303 65 1HD ARG 16 2HD ARG 16 7.486 6.672 -15.226 66 2HD ARG 16 3HD ARG 16 6.954 5.184 -14.469 67 HE ARG 16 HE ARG 16 5.287 7.542 -15.073 68 1HH1 ARG 16 2HH2 ARG 16 5.540 4.493 -13.335 69 2HH1 ARG 16 1HH2 ARG 16 3.828 4.309 -13.150 70 1HH2 ARG 16 2HH1 ARG 16 3.028 7.301 -14.829 71 2HH2 ARG 16 1HH1 ARG 16 2.389 5.917 -14.005 72 H SER 17 HN SER 17 8.554 10.920 -10.439 73 HA SER 17 HA SER 17 6.725 12.856 -11.477 74 1HB SER 17 2HB SER 17 6.071 13.305 -8.907 75 2HB SER 17 3HB SER 17 5.127 12.246 -9.936 76 HG SER 17 HG SER 17 5.688 11.302 -7.834 77 H VAL 18 HN VAL 18 7.675 14.890 -11.364 78 HA VAL 18 HA VAL 18 9.923 15.165 -9.494 79 HB VAL 18 HB VAL 18 10.688 16.764 -11.497 80 1HG1 VAL 18 1HG1 VAL 18 11.947 14.600 -12.359 81 2HG1 VAL 18 2HG1 VAL 18 12.291 15.291 -10.755 82 3HG1 VAL 18 3HG1 VAL 18 11.222 13.876 -10.903 83 1HG2 VAL 18 1HG2 VAL 18 9.138 14.528 -12.845 84 2HG2 VAL 18 2HG2 VAL 18 8.851 16.279 -12.988 85 3HG2 VAL 18 3HG2 VAL 18 10.336 15.563 -13.660 86 H PHE 19 HN PHE 19 9.724 16.874 -8.134 87 HA PHE 19 HA PHE 19 7.441 18.567 -8.432 88 1HB PHE 19 2HB PHE 19 8.032 17.969 -6.187 89 2HB PHE 19 3HB PHE 19 9.750 18.086 -6.512 90 HD1 PHE 19 HD1 PHE 19 6.761 19.900 -5.514 91 HD2 PHE 19 HD2 PHE 19 10.867 20.279 -6.516 92 HE1 PHE 19 HE1 PHE 19 6.799 22.192 -4.492 93 HE2 PHE 19 HE2 PHE 19 10.905 22.571 -5.494 94 HZ PHE 19 HZ PHE 19 8.870 23.501 -4.495 95 H VAL 20 HN VAL 20 7.340 20.639 -9.218 96 HA VAL 20 HA VAL 20 9.917 21.880 -9.896 97 HB VAL 20 HB VAL 20 7.381 22.419 -11.397 98 1HG1 VAL 20 1HG1 VAL 20 10.292 22.393 -12.260 99 2HG1 VAL 20 2HG1 VAL 20 8.900 22.971 -13.207 100 3HG1 VAL 20 3HG1 VAL 20 9.395 23.837 -11.732 101 1HG2 VAL 20 1HG2 VAL 20 8.399 20.621 -13.047 102 2HG2 VAL 20 2HG2 VAL 20 9.060 19.939 -11.542 103 3HG2 VAL 20 3HG2 VAL 20 7.302 20.141 -11.730 104 H GLY 21 HN GLY 21 10.216 24.023 -9.300 105 1HA GLY 21 1HA GLY 21 7.919 25.474 -8.199 106 2HA GLY 21 2HA GLY 21 9.276 25.147 -7.138 107 H ASN 22 HN ASN 22 8.993 27.718 -7.292 108 HA ASN 22 HA ASN 22 9.933 29.602 -7.810 109 1HB ASN 22 2HB ASN 22 12.028 27.838 -7.979 110 2HB ASN 22 3HB ASN 22 12.037 28.446 -9.622 111 1HD2 ASN 22 1HD2 ASN 22 13.743 29.737 -9.665 112 2HD2 ASN 22 2HD2 ASN 22 14.017 31.110 -8.646 113 H ILE 23 HN ILE 23 7.978 28.149 -9.663 114 HA ILE 23 HA ILE 23 8.760 29.218 -12.261 115 HB ILE 23 HB ILE 23 6.281 27.628 -11.690 116 1HG1 ILE 23 2HG1 ILE 23 9.029 26.439 -12.170 117 2HG1 ILE 23 3HG1 ILE 23 8.216 26.469 -10.618 118 1HG2 ILE 23 1HG2 ILE 23 6.111 28.147 -13.876 119 2HG2 ILE 23 2HG2 ILE 23 7.855 28.456 -14.055 120 3HG2 ILE 23 3HG2 ILE 23 7.241 26.785 -14.072 121 1HD1 ILE 23 1HD1 ILE 23 7.792 24.676 -12.893 122 2HD1 ILE 23 2HD1 ILE 23 7.236 24.512 -11.210 123 3HD1 ILE 23 3HD1 ILE 23 6.270 25.443 -12.380 124 HA PRO 24 HA PRO 24 6.256 32.668 -11.272 125 1HB PRO 24 2HB PRO 24 7.011 34.232 -13.382 126 2HB PRO 24 3HB PRO 24 7.897 34.168 -11.871 127 1HG PRO 24 2HG PRO 24 8.585 32.953 -14.476 128 2HG PRO 24 3HG PRO 24 9.626 33.264 -13.101 129 1HD PRO 24 2HD PRO 24 8.537 30.731 -13.890 130 2HD PRO 24 3HD PRO 24 9.481 31.064 -12.452 131 H TYR 25 HN TYR 25 4.715 34.212 -12.606 132 HA TYR 25 HA TYR 25 2.820 32.392 -13.713 133 1HB TYR 25 2HB TYR 25 3.065 35.466 -13.678 134 2HB TYR 25 3HB TYR 25 1.579 34.594 -13.997 135 HD1 TYR 25 HD1 TYR 25 3.925 35.707 -11.416 136 HD2 TYR 25 HD2 TYR 25 0.384 33.429 -12.176 137 HE1 TYR 25 HE1 TYR 25 3.378 35.715 -8.933 138 HE2 TYR 25 HE2 TYR 25 -0.151 33.444 -9.691 139 HH TYR 25 HH TYR 25 1.376 33.660 -7.524 140 H GLU 26 HN GLU 26 5.644 33.647 -14.996 141 HA GLU 26 HA GLU 26 4.504 34.203 -17.585 142 1HB GLU 26 2HB GLU 26 6.860 35.017 -16.156 143 2HB GLU 26 3HB GLU 26 7.390 34.194 -17.609 144 1HG GLU 26 2HG GLU 26 7.008 36.167 -18.681 145 2HG GLU 26 3HG GLU 26 5.307 35.756 -18.579 146 H ALA 27 HN ALA 27 5.543 31.509 -15.796 147 HA ALA 27 HA ALA 27 6.074 30.039 -18.285 148 1HB ALA 27 1HB ALA 27 7.253 28.811 -15.929 149 2HB ALA 27 2HB ALA 27 8.028 29.302 -17.454 150 3HB ALA 27 3HB ALA 27 7.844 30.478 -16.131 151 H THR 28 HN THR 28 4.070 29.124 -18.630 152 HA THR 28 HA THR 28 2.680 27.973 -16.337 153 HB THR 28 HB THR 28 0.915 27.648 -18.241 154 HG1 THR 28 HG1 THR 28 1.523 28.712 -20.175 155 1HG2 THR 28 1HG2 THR 28 0.057 29.721 -17.729 156 2HG2 THR 28 2HG2 THR 28 1.457 29.869 -16.640 157 3HG2 THR 28 3HG2 THR 28 1.530 30.554 -18.281 158 H GLU 29 HN GLU 29 1.480 25.795 -16.942 159 HA GLU 29 HA GLU 29 3.461 23.893 -17.002 160 1HB GLU 29 2HB GLU 29 0.518 23.965 -16.970 161 2HB GLU 29 3HB GLU 29 1.130 22.564 -17.824 162 1HG GLU 29 2HG GLU 29 2.787 22.459 -15.686 163 2HG GLU 29 3HG GLU 29 1.461 23.320 -14.929 164 H GLU 30 HN GLU 30 1.659 25.473 -19.615 165 HA GLU 30 HA GLU 30 2.069 23.573 -21.580 166 1HB GLU 30 2HB GLU 30 0.765 25.979 -21.421 167 2HB GLU 30 3HB GLU 30 2.139 26.440 -22.405 168 1HG GLU 30 2HG GLU 30 1.409 25.240 -24.215 169 2HG GLU 30 3HG GLU 30 0.943 23.862 -23.238 170 H GLN 31 HN GLN 31 4.175 26.101 -20.212 171 HA GLN 31 HA GLN 31 6.111 25.679 -22.298 172 1HB GLN 31 2HB GLN 31 6.052 27.506 -19.862 173 2HB GLN 31 3HB GLN 31 7.425 27.411 -20.947 174 1HG GLN 31 2HG GLN 31 5.359 27.744 -22.752 175 2HG GLN 31 3HG GLN 31 4.749 28.651 -21.382 176 1HE2 GLN 31 1HE2 GLN 31 6.499 28.847 -24.134 177 2HE2 GLN 31 2HE2 GLN 31 7.483 30.238 -23.822 178 H LEU 32 HN LEU 32 5.694 25.133 -18.752 179 HA LEU 32 HA LEU 32 8.226 24.124 -18.248 180 1HB LEU 32 2HB LEU 32 5.546 23.618 -16.961 181 2HB LEU 32 3HB LEU 32 7.045 22.962 -16.333 182 HG LEU 32 HG LEU 32 7.297 24.817 -15.145 183 1HD1 LEU 32 1HD1 LEU 32 7.967 26.918 -16.255 184 2HD1 LEU 32 2HD1 LEU 32 8.806 25.493 -16.914 185 3HD1 LEU 32 3HD1 LEU 32 7.464 26.233 -17.819 186 1HD2 LEU 32 1HD2 LEU 32 4.699 25.130 -16.066 187 2HD2 LEU 32 2HD2 LEU 32 5.478 26.039 -14.749 188 3HD2 LEU 32 3HD2 LEU 32 5.464 26.702 -16.401 189 H LYS 33 HN LYS 33 5.184 22.442 -19.266 190 HA LYS 33 HA LYS 33 6.304 19.882 -19.267 191 1HB LYS 33 2HB LYS 33 3.820 20.764 -19.416 192 2HB LYS 33 3HB LYS 33 4.094 20.658 -21.143 193 1HG LYS 33 2HG LYS 33 4.289 18.338 -21.121 194 2HG LYS 33 3HG LYS 33 4.971 18.297 -19.508 195 1HD LYS 33 2HD LYS 33 2.920 17.704 -18.743 196 2HD LYS 33 3HD LYS 33 2.383 19.332 -19.106 197 1HE LYS 33 2HE LYS 33 2.159 18.309 -21.596 198 2HE LYS 33 3HE LYS 33 2.011 16.806 -20.708 199 1HZ LYS 33 1HZ LYS 33 0.164 18.943 -20.918 200 2HZ LYS 33 2HZ LYS 33 -0.088 17.398 -20.452 201 3HZ LYS 33 3HZ LYS 33 0.410 18.508 -19.363 202 H ASP 34 HN ASP 34 6.236 22.520 -21.691 203 HA ASP 34 HA ASP 34 7.117 20.978 -23.818 204 1HB ASP 34 2HB ASP 34 6.372 23.618 -23.410 205 2HB ASP 34 3HB ASP 34 8.094 23.790 -23.688 206 H ILE 35 HN ILE 35 8.764 22.802 -21.181 207 HA ILE 35 HA ILE 35 11.368 22.554 -22.247 208 HB ILE 35 HB ILE 35 10.412 23.066 -19.428 209 1HG1 ILE 35 2HG1 ILE 35 11.466 25.241 -21.162 210 2HG1 ILE 35 3HG1 ILE 35 9.878 24.622 -21.569 211 1HG2 ILE 35 1HG2 ILE 35 12.620 23.969 -18.999 212 2HG2 ILE 35 2HG2 ILE 35 12.746 22.272 -19.524 213 3HG2 ILE 35 3HG2 ILE 35 13.132 23.587 -20.661 214 1HD1 ILE 35 1HD1 ILE 35 10.006 24.910 -18.700 215 2HD1 ILE 35 2HD1 ILE 35 10.578 26.420 -19.450 216 3HD1 ILE 35 3HD1 ILE 35 8.967 25.780 -19.854 217 H PHE 36 HN PHE 36 9.443 20.670 -19.836 218 HA PHE 36 HA PHE 36 11.526 18.866 -19.273 219 1HB PHE 36 2HB PHE 36 8.467 18.900 -19.069 220 2HB PHE 36 3HB PHE 36 9.375 17.503 -18.527 221 HD1 PHE 36 HD1 PHE 36 11.685 18.662 -17.192 222 HD2 PHE 36 HD2 PHE 36 7.643 19.954 -17.184 223 HE1 PHE 36 HE1 PHE 36 12.039 19.757 -14.961 224 HE2 PHE 36 HE2 PHE 36 7.997 21.048 -14.953 225 HZ PHE 36 HZ PHE 36 10.190 20.936 -13.868 226 H SER 37 HN SER 37 9.089 19.093 -21.844 227 HA SER 37 HA SER 37 9.099 16.423 -22.584 228 1HB SER 37 2HB SER 37 8.023 17.161 -24.608 229 2HB SER 37 3HB SER 37 7.465 18.214 -23.323 230 HG SER 37 HG SER 37 8.740 18.891 -25.627 231 H GLU 38 HN GLU 38 11.305 19.146 -23.245 232 HA GLU 38 HA GLU 38 12.610 17.936 -25.406 233 1HB GLU 38 2HB GLU 38 14.014 19.893 -23.590 234 2HB GLU 38 3HB GLU 38 14.055 19.785 -25.338 235 1HG GLU 38 2HG GLU 38 11.361 20.277 -24.876 236 2HG GLU 38 3HG GLU 38 12.110 21.182 -23.575 237 H VAL 39 HN VAL 39 12.529 17.182 -22.071 238 HA VAL 39 HA VAL 39 15.200 15.981 -22.175 239 HB VAL 39 HB VAL 39 13.473 16.175 -19.729 240 1HG1 VAL 39 1HG1 VAL 39 16.130 15.307 -20.329 241 2HG1 VAL 39 2HG1 VAL 39 16.235 16.744 -19.285 242 3HG1 VAL 39 3HG1 VAL 39 15.292 15.330 -18.759 243 1HG2 VAL 39 1HG2 VAL 39 14.865 18.418 -21.148 244 2HG2 VAL 39 2HG2 VAL 39 13.342 18.417 -20.227 245 3HG2 VAL 39 3HG2 VAL 39 14.901 18.378 -19.369 246 H GLY 40 HN GLY 40 12.233 15.205 -23.205 247 1HA GLY 40 1HA GLY 40 12.290 12.700 -23.733 248 2HA GLY 40 2HA GLY 40 12.183 12.518 -21.994 249 HA PRO 41 HA PRO 41 7.950 12.965 -23.700 250 1HB PRO 41 2HB PRO 41 6.996 10.459 -23.169 251 2HB PRO 41 3HB PRO 41 7.634 10.930 -24.731 252 1HG PRO 41 2HG PRO 41 8.890 9.252 -22.647 253 2HG PRO 41 3HG PRO 41 9.302 9.385 -24.345 254 1HD PRO 41 2HD PRO 41 10.708 10.563 -22.139 255 2HD PRO 41 3HD PRO 41 11.051 10.791 -23.843 256 H VAL 42 HN VAL 42 6.722 14.201 -22.442 257 HA VAL 42 HA VAL 42 6.843 13.608 -19.609 258 HB VAL 42 HB VAL 42 5.672 15.865 -21.240 259 1HG1 VAL 42 1HG1 VAL 42 5.088 15.056 -18.509 260 2HG1 VAL 42 2HG1 VAL 42 5.819 16.678 -18.563 261 3HG1 VAL 42 3HG1 VAL 42 4.347 16.334 -19.502 262 1HG2 VAL 42 1HG2 VAL 42 7.490 17.172 -20.491 263 2HG2 VAL 42 2HG2 VAL 42 7.938 15.987 -19.240 264 3HG2 VAL 42 3HG2 VAL 42 8.206 15.611 -20.959 265 H VAL 43 HN VAL 43 5.353 12.387 -18.575 266 HA VAL 43 HA VAL 43 3.145 11.351 -20.029 267 HB VAL 43 HB VAL 43 4.282 11.097 -17.278 268 1HG1 VAL 43 1HG1 VAL 43 2.244 9.344 -17.082 269 2HG1 VAL 43 2HG1 VAL 43 2.167 11.005 -16.447 270 3HG1 VAL 43 3HG1 VAL 43 1.442 10.621 -18.027 271 1HG2 VAL 43 1HG2 VAL 43 3.417 8.796 -18.978 272 2HG2 VAL 43 2HG2 VAL 43 4.817 9.753 -19.519 273 3HG2 VAL 43 3HG2 VAL 43 4.838 8.971 -17.920 274 H SER 44 HN SER 44 3.034 12.959 -16.786 275 HA SER 44 HA SER 44 0.890 14.609 -17.856 276 1HB SER 44 2HB SER 44 0.747 12.589 -15.708 277 2HB SER 44 3HB SER 44 0.165 14.159 -15.192 278 HG SER 44 HG SER 44 -1.252 14.170 -17.089 279 H PHE 45 HN PHE 45 0.311 16.329 -15.916 280 HA PHE 45 HA PHE 45 2.437 17.037 -14.218 281 1HB PHE 45 2HB PHE 45 3.143 17.607 -16.728 282 2HB PHE 45 3HB PHE 45 1.965 18.898 -16.603 283 HD1 PHE 45 HD1 PHE 45 4.661 19.624 -17.209 284 HD2 PHE 45 HD2 PHE 45 2.924 18.877 -13.410 285 HE1 PHE 45 HE1 PHE 45 6.386 21.094 -16.131 286 HE2 PHE 45 HE2 PHE 45 4.649 20.347 -12.332 287 HZ PHE 45 HZ PHE 45 6.360 21.438 -13.705 288 H ARG 46 HN ARG 46 1.407 18.011 -12.543 289 HA ARG 46 HA ARG 46 -0.714 19.857 -13.231 290 1HB ARG 46 2HB ARG 46 -0.898 17.469 -11.361 291 2HB ARG 46 3HB ARG 46 -1.898 18.877 -11.067 292 1HG ARG 46 2HG ARG 46 -1.809 17.589 -13.819 293 2HG ARG 46 3HG ARG 46 -2.851 16.945 -12.566 294 1HD ARG 46 2HD ARG 46 -4.146 18.953 -12.436 295 2HD ARG 46 3HD ARG 46 -2.914 19.910 -13.232 296 HE ARG 46 HE ARG 46 -3.771 17.819 -15.008 297 1HH1 ARG 46 2HH2 ARG 46 -4.896 20.849 -13.617 298 2HH1 ARG 46 1HH2 ARG 46 -5.955 21.211 -14.939 299 1HH2 ARG 46 2HH1 ARG 46 -5.168 18.296 -16.753 300 2HH2 ARG 46 1HH1 ARG 46 -6.110 19.749 -16.735 301 H LEU 47 HN LEU 47 -0.727 21.719 -11.916 302 HA LEU 47 HA LEU 47 1.251 21.707 -9.743 303 1HB LEU 47 2HB LEU 47 0.422 24.254 -11.011 304 2HB LEU 47 3HB LEU 47 1.966 23.774 -10.335 305 HG LEU 47 HG LEU 47 0.866 22.862 -13.009 306 1HD1 LEU 47 1HD1 LEU 47 3.007 24.273 -13.703 307 2HD1 LEU 47 2HD1 LEU 47 1.405 25.021 -13.497 308 3HD1 LEU 47 3HD1 LEU 47 2.615 25.138 -12.198 309 1HD2 LEU 47 1HD2 LEU 47 2.394 21.257 -11.780 310 2HD2 LEU 47 2HD2 LEU 47 2.921 21.763 -13.403 311 3HD2 LEU 47 3HD2 LEU 47 3.674 22.482 -11.959 312 H VAL 48 HN VAL 48 0.668 23.735 -8.190 313 HA VAL 48 HA VAL 48 -2.007 23.094 -7.261 314 HB VAL 48 HB VAL 48 -1.190 24.510 -5.292 315 1HG1 VAL 48 1HG1 VAL 48 -0.399 21.789 -6.128 316 2HG1 VAL 48 2HG1 VAL 48 0.591 22.488 -4.823 317 3HG1 VAL 48 3HG1 VAL 48 -1.173 22.353 -4.628 318 1HG2 VAL 48 1HG2 VAL 48 1.609 23.931 -6.045 319 2HG2 VAL 48 2HG2 VAL 48 0.834 25.236 -6.974 320 3HG2 VAL 48 3HG2 VAL 48 0.911 25.332 -5.199 321 H TYR 49 HN TYR 49 -3.731 24.358 -7.714 322 HA TYR 49 HA TYR 49 -3.168 27.167 -8.388 323 1HB TYR 49 2HB TYR 49 -4.567 24.905 -9.738 324 2HB TYR 49 3HB TYR 49 -5.609 26.306 -9.582 325 HD1 TYR 49 HD1 TYR 49 -2.463 25.046 -11.063 326 HD2 TYR 49 HD2 TYR 49 -5.230 28.304 -10.883 327 HE1 TYR 49 HE1 TYR 49 -1.375 26.092 -13.109 328 HE2 TYR 49 HE2 TYR 49 -4.133 29.339 -12.930 329 HH TYR 49 HH TYR 49 -1.148 28.123 -14.183 330 H ASP 50 HN ASP 50 -4.071 28.559 -6.962 331 HA ASP 50 HA ASP 50 -5.852 27.610 -5.018 332 1HB ASP 50 2HB ASP 50 -4.584 30.212 -5.773 333 2HB ASP 50 3HB ASP 50 -6.082 30.348 -4.874 334 H ARG 51 HN ARG 51 -7.997 27.133 -5.544 335 HA ARG 51 HA ARG 51 -9.210 28.302 -7.791 336 1HB ARG 51 2HB ARG 51 -10.216 26.532 -5.521 337 2HB ARG 51 3HB ARG 51 -11.307 27.118 -6.762 338 1HG ARG 51 2HG ARG 51 -9.930 26.058 -8.526 339 2HG ARG 51 3HG ARG 51 -8.746 25.553 -7.336 340 1HD ARG 51 2HD ARG 51 -11.668 24.650 -7.411 341 2HD ARG 51 3HD ARG 51 -10.299 23.692 -7.938 342 HE ARG 51 HE ARG 51 -9.674 23.333 -5.681 343 1HH1 ARG 51 2HH2 ARG 51 -12.288 25.680 -5.888 344 2HH1 ARG 51 1HH2 ARG 51 -12.629 25.640 -4.190 345 1HH2 ARG 51 2HH1 ARG 51 -10.123 23.281 -3.441 346 2HH2 ARG 51 1HH1 ARG 51 -11.389 24.267 -2.789 347 H GLU 52 HN GLU 52 -9.085 28.992 -4.313 348 HA GLU 52 HA GLU 52 -11.404 30.577 -4.247 349 1HB GLU 52 2HB GLU 52 -9.110 29.973 -2.429 350 2HB GLU 52 3HB GLU 52 -9.934 31.491 -2.131 351 1HG GLU 52 2HG GLU 52 -11.449 30.263 -0.954 352 2HG GLU 52 3HG GLU 52 -12.072 29.755 -2.511 353 H THR 53 HN THR 53 -8.010 31.118 -5.132 354 HA THR 53 HA THR 53 -8.593 33.990 -5.430 355 HB THR 53 HB THR 53 -6.275 34.366 -4.991 356 HG1 THR 53 HG1 THR 53 -4.788 32.584 -5.307 357 1HG2 THR 53 1HG2 THR 53 -5.645 32.936 -3.038 358 2HG2 THR 53 2HG2 THR 53 -7.333 33.483 -2.904 359 3HG2 THR 53 3HG2 THR 53 -6.975 31.821 -3.433 360 H GLY 54 HN GLY 54 -8.595 31.127 -7.137 361 1HA GLY 54 1HA GLY 54 -8.409 30.603 -9.318 362 2HA GLY 54 2HA GLY 54 -8.906 32.257 -9.617 363 H LYS 55 HN LYS 55 -5.947 31.818 -7.775 364 HA LYS 55 HA LYS 55 -4.414 32.437 -10.205 365 1HB LYS 55 2HB LYS 55 -4.199 33.567 -7.411 366 2HB LYS 55 3HB LYS 55 -2.875 33.661 -8.555 367 1HG LYS 55 2HG LYS 55 -4.079 35.053 -10.047 368 2HG LYS 55 3HG LYS 55 -5.637 34.548 -9.425 369 1HD LYS 55 2HD LYS 55 -5.626 36.125 -7.767 370 2HD LYS 55 3HD LYS 55 -3.953 35.810 -7.350 371 1HE LYS 55 2HE LYS 55 -3.531 37.026 -9.734 372 2HE LYS 55 3HE LYS 55 -5.079 37.754 -9.354 373 1HZ LYS 55 1HZ LYS 55 -4.221 38.800 -7.555 374 2HZ LYS 55 2HZ LYS 55 -3.062 37.685 -7.271 375 3HZ LYS 55 3HZ LYS 55 -2.877 38.765 -8.482 376 HA PRO 56 HA PRO 56 -2.116 28.918 -9.207 377 1HB PRO 56 2HB PRO 56 0.125 29.347 -10.710 378 2HB PRO 56 3HB PRO 56 -1.367 28.713 -11.374 379 1HG PRO 56 2HG PRO 56 -0.228 31.427 -11.639 380 2HG PRO 56 3HG PRO 56 -1.462 30.655 -12.614 381 1HD PRO 56 2HD PRO 56 -1.872 32.640 -10.585 382 2HD PRO 56 3HD PRO 56 -3.112 31.784 -11.479 383 H LYS 57 HN LYS 57 -0.824 28.110 -7.630 384 HA LYS 57 HA LYS 57 0.142 29.937 -5.776 385 1HB LYS 57 2HB LYS 57 0.977 27.048 -6.161 386 2HB LYS 57 3HB LYS 57 1.161 27.999 -4.702 387 1HG LYS 57 2HG LYS 57 -1.600 28.169 -5.576 388 2HG LYS 57 3HG LYS 57 -1.127 26.483 -5.542 389 1HD LYS 57 2HD LYS 57 -1.596 26.604 -3.309 390 2HD LYS 57 3HD LYS 57 -0.020 27.359 -3.176 391 1HE LYS 57 2HE LYS 57 -2.087 29.302 -3.967 392 2HE LYS 57 3HE LYS 57 -2.494 28.509 -2.459 393 1HZ LYS 57 1HZ LYS 57 -0.026 29.013 -1.936 394 2HZ LYS 57 2HZ LYS 57 -0.195 30.170 -3.076 395 3HZ LYS 57 3HZ LYS 57 -1.155 30.179 -1.755 396 H GLY 58 HN GLY 58 1.997 27.875 -8.128 397 1HA GLY 58 1HA GLY 58 3.625 29.410 -9.387 398 2HA GLY 58 2HA GLY 58 4.273 29.714 -7.787 399 H TYR 59 HN TYR 59 3.305 26.732 -7.177 400 HA TYR 59 HA TYR 59 5.601 25.442 -8.488 401 1HB TYR 59 2HB TYR 59 5.749 24.214 -6.224 402 2HB TYR 59 3HB TYR 59 6.113 25.925 -6.119 403 HD1 TYR 59 HD1 TYR 59 4.477 27.501 -5.115 404 HD2 TYR 59 HD2 TYR 59 3.785 23.279 -5.164 405 HE1 TYR 59 HE1 TYR 59 2.680 27.768 -3.337 406 HE2 TYR 59 HE2 TYR 59 1.990 23.560 -3.385 407 HH TYR 59 HH TYR 59 1.427 25.130 -1.631 408 H GLY 60 HN GLY 60 5.411 23.077 -8.707 409 1HA GLY 60 1HA GLY 60 2.872 21.829 -8.190 410 2HA GLY 60 2HA GLY 60 3.115 22.209 -9.883 411 H PHE 61 HN PHE 61 2.930 19.666 -9.789 412 HA PHE 61 HA PHE 61 5.683 18.671 -9.681 413 1HB PHE 61 2HB PHE 61 3.073 17.293 -8.801 414 2HB PHE 61 3HB PHE 61 4.650 16.528 -8.783 415 HD1 PHE 61 HD1 PHE 61 5.978 16.650 -6.873 416 HD2 PHE 61 HD2 PHE 61 2.793 19.414 -7.343 417 HE1 PHE 61 HE1 PHE 61 6.353 17.479 -4.534 418 HE2 PHE 61 HE2 PHE 61 3.167 20.244 -5.004 419 HZ PHE 61 HZ PHE 61 4.943 19.266 -3.627 420 H CYS 62 HN CYS 62 6.300 17.419 -11.429 421 HA CYS 62 HA CYS 62 4.211 17.018 -13.435 422 1HB CYS 62 2HB CYS 62 6.207 18.484 -13.997 423 2HB CYS 62 3HB CYS 62 7.206 17.047 -13.905 424 HG CYS 62 HG CYS 62 6.357 17.930 -16.410 425 H GLU 63 HN GLU 63 4.226 14.929 -14.603 426 HA GLU 63 HA GLU 63 5.543 12.853 -13.028 427 1HB GLU 63 2HB GLU 63 2.771 13.236 -13.459 428 2HB GLU 63 3HB GLU 63 3.208 11.906 -14.514 429 1HG GLU 63 2HG GLU 63 3.867 10.521 -12.742 430 2HG GLU 63 3HG GLU 63 4.292 11.865 -11.702 431 H TYR 64 HN TYR 64 6.999 11.623 -14.148 432 HA TYR 64 HA TYR 64 6.952 11.869 -17.067 433 1HB TYR 64 2HB TYR 64 8.922 11.488 -14.814 434 2HB TYR 64 3HB TYR 64 9.298 10.579 -16.264 435 HD1 TYR 64 HD1 TYR 64 9.882 11.733 -18.361 436 HD2 TYR 64 HD2 TYR 64 9.066 13.922 -14.776 437 HE1 TYR 64 HE1 TYR 64 10.939 13.809 -19.379 438 HE2 TYR 64 HE2 TYR 64 10.125 15.990 -15.807 439 HH TYR 64 HH TYR 64 10.801 16.212 -19.111 440 H GLN 65 HN GLN 65 8.332 9.680 -17.904 441 HA GLN 65 HA GLN 65 6.603 7.511 -16.999 442 1HB GLN 65 2HB GLN 65 6.496 8.473 -19.455 443 2HB GLN 65 3HB GLN 65 7.966 7.552 -19.703 444 1HG GLN 65 2HG GLN 65 5.755 6.075 -18.334 445 2HG GLN 65 3HG GLN 65 5.436 6.519 -19.999 446 1HE2 GLN 65 1HE2 GLN 65 6.077 3.954 -18.517 447 2HE2 GLN 65 2HE2 GLN 65 7.332 3.192 -19.437 448 H ASP 66 HN ASP 66 9.873 8.685 -17.438 449 HA ASP 66 HA ASP 66 10.824 6.040 -16.663 450 1HB ASP 66 2HB ASP 66 12.672 8.008 -17.993 451 2HB ASP 66 3HB ASP 66 12.708 6.257 -18.039 452 H GLN 67 HN GLN 67 12.161 6.031 -14.797 453 HA GLN 67 HA GLN 67 12.107 8.260 -13.161 454 1HB GLN 67 2HB GLN 67 12.298 6.063 -12.190 455 2HB GLN 67 3HB GLN 67 13.751 5.702 -13.102 456 1HG GLN 67 2HG GLN 67 14.219 6.297 -10.703 457 2HG GLN 67 3HG GLN 67 15.045 7.343 -11.840 458 1HE2 GLN 67 1HE2 GLN 67 13.447 7.327 -9.041 459 2HE2 GLN 67 2HE2 GLN 67 12.743 8.909 -9.011 460 H GLU 68 HN GLU 68 14.713 6.883 -15.258 461 HA GLU 68 HA GLU 68 16.667 8.678 -14.459 462 1HB GLU 68 2HB GLU 68 17.293 6.661 -15.621 463 2HB GLU 68 3HB GLU 68 16.278 7.047 -16.996 464 1HG GLU 68 2HG GLU 68 17.721 9.100 -17.409 465 2HG GLU 68 3HG GLU 68 18.782 8.562 -16.123 466 H THR 69 HN THR 69 14.092 8.836 -16.948 467 HA THR 69 HA THR 69 15.065 11.169 -18.221 468 HB THR 69 HB THR 69 12.253 9.963 -18.043 469 HG1 THR 69 HG1 THR 69 13.087 8.886 -19.992 470 1HG2 THR 69 1HG2 THR 69 13.333 11.300 -20.504 471 2HG2 THR 69 2HG2 THR 69 11.669 11.269 -19.874 472 3HG2 THR 69 3HG2 THR 69 12.867 12.382 -19.170 473 H ALA 70 HN ALA 70 12.805 10.598 -15.482 474 HA ALA 70 HA ALA 70 12.085 13.325 -15.265 475 1HB ALA 70 1HB ALA 70 11.824 11.947 -12.767 476 2HB ALA 70 2HB ALA 70 10.553 12.349 -13.947 477 3HB ALA 70 3HB ALA 70 11.425 10.802 -14.070 478 H LEU 71 HN LEU 71 14.637 11.233 -13.840 479 HA LEU 71 HA LEU 71 15.512 13.198 -11.996 480 1HB LEU 71 2HB LEU 71 16.314 10.511 -12.891 481 2HB LEU 71 3HB LEU 71 17.638 11.527 -12.356 482 HG LEU 71 HG LEU 71 15.236 11.389 -10.592 483 1HD1 LEU 71 1HD1 LEU 71 15.407 9.243 -9.941 484 2HD1 LEU 71 2HD1 LEU 71 16.111 9.009 -11.559 485 3HD1 LEU 71 3HD1 LEU 71 17.175 9.205 -10.145 486 1HD2 LEU 71 1HD2 LEU 71 17.915 11.018 -9.460 487 2HD2 LEU 71 2HD2 LEU 71 17.732 12.523 -10.394 488 3HD2 LEU 71 3HD2 LEU 71 16.633 12.178 -9.037 489 H SER 72 HN SER 72 16.292 12.340 -15.382 490 HA SER 72 HA SER 72 18.573 13.977 -15.475 491 1HB SER 72 2HB SER 72 16.820 12.616 -17.533 492 2HB SER 72 3HB SER 72 18.042 13.755 -18.060 493 HG SER 72 HG SER 72 18.720 11.632 -16.239 494 H ALA 73 HN ALA 73 15.088 14.378 -16.306 495 HA ALA 73 HA ALA 73 15.396 16.929 -17.480 496 1HB ALA 73 1HB ALA 73 13.490 15.390 -17.889 497 2HB ALA 73 2HB ALA 73 12.967 15.609 -16.202 498 3HB ALA 73 3HB ALA 73 12.947 16.989 -17.326 499 H MET 74 HN MET 74 14.501 15.759 -14.173 500 HA MET 74 HA MET 74 14.086 18.331 -13.167 501 1HB MET 74 2HB MET 74 13.765 17.195 -11.104 502 2HB MET 74 3HB MET 74 13.437 15.921 -12.262 503 1HG MET 74 2HG MET 74 15.837 15.160 -12.062 504 2HG MET 74 3HG MET 74 16.107 16.395 -10.849 505 1HE MET 74 1HE MET 74 16.355 15.501 -8.539 506 2HE MET 74 2HE MET 74 15.914 13.820 -8.152 507 3HE MET 74 3HE MET 74 16.980 14.165 -9.535 508 H ARG 75 HN ARG 75 16.948 16.149 -13.292 509 HA ARG 75 HA ARG 75 18.501 17.828 -11.659 510 1HB ARG 75 2HB ARG 75 18.968 15.395 -11.937 511 2HB ARG 75 3HB ARG 75 19.317 15.639 -13.637 512 1HG ARG 75 2HG ARG 75 21.052 17.454 -12.624 513 2HG ARG 75 3HG ARG 75 20.958 16.397 -11.230 514 1HD ARG 75 2HD ARG 75 21.618 14.451 -12.598 515 2HD ARG 75 3HD ARG 75 21.573 15.417 -14.059 516 HE ARG 75 HE ARG 75 23.639 16.387 -13.480 517 1HH1 ARG 75 2HH2 ARG 75 22.342 14.607 -10.736 518 2HH1 ARG 75 1HH2 ARG 75 23.801 14.719 -9.810 519 1HH2 ARG 75 2HH1 ARG 75 25.565 16.535 -12.259 520 2HH2 ARG 75 1HH1 ARG 75 25.647 15.824 -10.682 521 H ASN 76 HN ASN 76 17.787 17.572 -15.134 522 HA ASN 76 HA ASN 76 19.994 19.153 -15.926 523 1HB ASN 76 2HB ASN 76 17.459 18.143 -17.276 524 2HB ASN 76 3HB ASN 76 18.476 19.310 -18.099 525 1HD2 ASN 76 1HD2 ASN 76 18.423 17.312 -19.543 526 2HD2 ASN 76 2HD2 ASN 76 19.731 16.188 -19.377 527 H LEU 77 HN LEU 77 16.520 19.603 -15.123 528 HA LEU 77 HA LEU 77 16.588 22.384 -15.913 529 1HB LEU 77 2HB LEU 77 14.488 20.481 -14.933 530 2HB LEU 77 3HB LEU 77 14.201 22.210 -14.890 531 HG LEU 77 HG LEU 77 14.804 22.208 -17.392 532 1HD1 LEU 77 1HD1 LEU 77 15.764 19.837 -17.219 533 2HD1 LEU 77 2HD1 LEU 77 14.071 19.286 -17.256 534 3HD1 LEU 77 3HD1 LEU 77 14.734 20.217 -18.621 535 1HD2 LEU 77 1HD2 LEU 77 12.355 20.788 -17.529 536 2HD2 LEU 77 2HD2 LEU 77 12.368 21.672 -15.983 537 3HD2 LEU 77 3HD2 LEU 77 12.617 22.549 -17.512 538 H ASN 78 HN ASN 78 17.052 20.360 -13.073 539 HA ASN 78 HA ASN 78 16.371 22.121 -11.103 540 1HB ASN 78 2HB ASN 78 16.958 19.975 -10.322 541 2HB ASN 78 3HB ASN 78 18.364 19.864 -11.362 542 1HD2 ASN 78 1HD2 ASN 78 20.278 20.170 -10.510 543 2HD2 ASN 78 2HD2 ASN 78 20.639 20.930 -8.996 544 H GLY 79 HN GLY 79 17.029 24.303 -11.716 545 1HA GLY 79 1HA GLY 79 18.653 25.897 -10.983 546 2HA GLY 79 2HA GLY 79 19.929 24.784 -11.436 547 H ARG 80 HN ARG 80 17.470 24.526 -13.761 548 HA ARG 80 HA ARG 80 19.085 25.949 -15.618 549 1HB ARG 80 2HB ARG 80 18.083 23.829 -16.317 550 2HB ARG 80 3HB ARG 80 16.477 24.380 -15.884 551 1HG ARG 80 2HG ARG 80 16.213 25.166 -17.992 552 2HG ARG 80 3HG ARG 80 17.475 26.342 -17.685 553 1HD ARG 80 2HD ARG 80 19.023 25.188 -18.923 554 2HD ARG 80 3HD ARG 80 18.549 23.640 -18.250 555 HE ARG 80 HE ARG 80 16.574 24.773 -20.107 556 1HH1 ARG 80 2HH2 ARG 80 19.444 22.761 -19.799 557 2HH1 ARG 80 1HH2 ARG 80 19.163 21.910 -21.281 558 1HH2 ARG 80 2HH1 ARG 80 16.202 23.651 -22.062 559 2HH2 ARG 80 1HH1 ARG 80 17.306 22.419 -22.577 560 H GLU 81 HN GLU 81 18.751 28.050 -16.314 561 HA GLU 81 HA GLU 81 16.610 29.492 -15.137 562 1HB GLU 81 2HB GLU 81 18.555 30.467 -17.268 563 2HB GLU 81 3HB GLU 81 17.648 31.449 -16.135 564 1HG GLU 81 2HG GLU 81 19.177 31.137 -14.473 565 2HG GLU 81 3HG GLU 81 19.243 29.407 -14.744 566 H PHE 82 HN PHE 82 14.773 30.401 -16.152 567 HA PHE 82 HA PHE 82 14.436 30.243 -18.966 568 1HB PHE 82 2HB PHE 82 14.040 27.856 -18.294 569 2HB PHE 82 3HB PHE 82 12.929 28.374 -17.041 570 HD1 PHE 82 HD1 PHE 82 13.324 27.627 -20.555 571 HD2 PHE 82 HD2 PHE 82 10.721 29.340 -17.675 572 HE1 PHE 82 HE1 PHE 82 11.413 27.441 -22.172 573 HE2 PHE 82 HE2 PHE 82 8.810 29.155 -19.291 574 HZ PHE 82 HZ PHE 82 9.179 28.208 -21.521 575 H SER 83 HN SER 83 12.482 31.331 -19.673 576 HA SER 83 HA SER 83 11.033 32.945 -19.553 577 1HB SER 83 2HB SER 83 10.297 31.362 -17.075 578 2HB SER 83 3HB SER 83 9.407 32.814 -17.487 579 HG SER 83 HG SER 83 8.492 31.835 -19.196 580 H GLY 84 HN GLY 84 13.748 33.281 -18.227 581 1HA GLY 84 1HA GLY 84 14.776 35.117 -17.362 582 2HA GLY 84 2HA GLY 84 13.219 35.847 -17.025 583 H ARG 85 HN ARG 85 13.194 32.640 -15.867 584 HA ARG 85 HA ARG 85 14.107 33.562 -13.262 585 1HB ARG 85 2HB ARG 85 11.466 32.753 -14.020 586 2HB ARG 85 3HB ARG 85 12.108 31.446 -13.045 587 1HG ARG 85 2HG ARG 85 12.013 34.393 -12.242 588 2HG ARG 85 3HG ARG 85 10.966 33.130 -11.626 589 1HD ARG 85 2HD ARG 85 12.784 32.025 -10.487 590 2HD ARG 85 3HD ARG 85 13.995 32.935 -11.367 591 HE ARG 85 HE ARG 85 12.447 33.864 -9.047 592 1HH1 ARG 85 2HH2 ARG 85 14.430 34.822 -11.791 593 2HH1 ARG 85 1HH2 ARG 85 14.868 36.351 -11.105 594 1HH2 ARG 85 2HH1 ARG 85 13.023 35.881 -8.141 595 2HH2 ARG 85 1HH1 ARG 85 14.062 36.958 -9.014 596 H ALA 86 HN ALA 86 13.656 30.993 -11.950 597 HA ALA 86 HA ALA 86 15.608 29.344 -13.408 598 1HB ALA 86 1HB ALA 86 16.828 29.128 -11.506 599 2HB ALA 86 2HB ALA 86 15.976 30.605 -10.994 600 3HB ALA 86 3HB ALA 86 15.381 29.009 -10.476 601 H LEU 87 HN LEU 87 15.366 26.998 -13.140 602 HA LEU 87 HA LEU 87 12.563 26.310 -12.600 603 1HB LEU 87 2HB LEU 87 14.236 25.859 -14.852 604 2HB LEU 87 3HB LEU 87 13.935 24.304 -14.102 605 HG LEU 87 HG LEU 87 11.557 26.045 -14.473 606 1HD1 LEU 87 1HD1 LEU 87 13.167 26.161 -16.572 607 2HD1 LEU 87 2HD1 LEU 87 12.452 24.566 -16.908 608 3HD1 LEU 87 3HD1 LEU 87 11.403 25.995 -16.750 609 1HD2 LEU 87 1HD2 LEU 87 12.075 23.356 -13.870 610 2HD2 LEU 87 2HD2 LEU 87 10.495 24.119 -14.175 611 3HD2 LEU 87 3HD2 LEU 87 11.387 23.353 -15.511 612 H ARG 88 HN ARG 88 12.568 25.756 -10.442 613 HA ARG 88 HA ARG 88 14.742 24.178 -9.467 614 1HB ARG 88 2HB ARG 88 12.821 25.964 -8.337 615 2HB ARG 88 3HB ARG 88 12.482 24.400 -7.622 616 1HG ARG 88 2HG ARG 88 14.202 24.791 -6.193 617 2HG ARG 88 3HG ARG 88 15.285 24.540 -7.548 618 1HD ARG 88 2HD ARG 88 15.184 26.970 -8.102 619 2HD ARG 88 3HD ARG 88 14.061 27.236 -6.783 620 HE ARG 88 HE ARG 88 16.939 26.918 -6.559 621 1HH1 ARG 88 2HH2 ARG 88 13.909 26.360 -4.859 622 2HH1 ARG 88 1HH2 ARG 88 14.635 26.407 -3.287 623 1HH2 ARG 88 2HH1 ARG 88 17.897 26.980 -4.485 624 2HH2 ARG 88 1HH1 ARG 88 16.918 26.762 -3.073 625 H VAL 89 HN VAL 89 14.535 22.140 -10.556 626 HA VAL 89 HA VAL 89 12.016 20.720 -10.060 627 HB VAL 89 HB VAL 89 14.135 19.812 -11.973 628 1HG1 VAL 89 1HG1 VAL 89 11.102 19.637 -11.999 629 2HG1 VAL 89 2HG1 VAL 89 12.208 18.898 -13.182 630 3HG1 VAL 89 3HG1 VAL 89 12.218 18.348 -11.489 631 1HG2 VAL 89 1HG2 VAL 89 12.573 21.174 -13.670 632 2HG2 VAL 89 2HG2 VAL 89 12.416 22.235 -12.250 633 3HG2 VAL 89 3HG2 VAL 89 14.025 21.885 -12.924 634 H ASP 90 HN ASP 90 11.998 19.131 -8.555 635 HA ASP 90 HA ASP 90 14.529 17.826 -8.010 636 1HB ASP 90 2HB ASP 90 12.975 18.105 -5.564 637 2HB ASP 90 3HB ASP 90 14.644 18.549 -5.860 638 H ASN 91 HN ASN 91 14.234 15.582 -7.452 639 HA ASN 91 HA ASN 91 12.242 14.197 -8.437 640 1HB ASN 91 2HB ASN 91 14.383 13.627 -6.756 641 2HB ASN 91 3HB ASN 91 13.027 13.174 -5.742 642 1HD2 ASN 91 1HD2 ASN 91 12.263 11.217 -5.944 643 2HD2 ASN 91 2HD2 ASN 91 12.433 10.158 -7.305 644 H ALA 92 HN ALA 92 10.032 13.911 -8.019 645 HA ALA 92 HA ALA 92 8.806 15.436 -5.977 646 1HB ALA 92 1HB ALA 92 7.854 14.851 -8.247 647 2HB ALA 92 2HB ALA 92 7.620 13.191 -7.650 648 3HB ALA 92 3HB ALA 92 6.756 14.543 -6.881 649 H ALA 93 HN ALA 93 10.528 12.513 -5.899 650 HA ALA 93 HA ALA 93 8.874 11.329 -3.824 651 1HB ALA 93 1HB ALA 93 9.885 9.386 -4.413 652 2HB ALA 93 2HB ALA 93 10.407 10.284 -5.859 653 3HB ALA 93 3HB ALA 93 11.500 10.132 -4.463 654 H SER 94 HN SER 94 10.321 14.007 -3.565 655 HA SER 94 HA SER 94 12.453 13.438 -1.772 656 1HB SER 94 2HB SER 94 12.232 15.484 -3.318 657 2HB SER 94 3HB SER 94 11.042 16.105 -2.190 658 HG SER 94 HG SER 94 12.772 15.801 -0.494 659 H GLU 95 HN GLU 95 12.471 13.906 0.537 660 HA GLU 95 HA GLU 95 10.107 13.148 1.800 661 1HB GLU 95 2HB GLU 95 12.457 12.768 2.648 662 2HB GLU 95 3HB GLU 95 12.559 14.474 3.036 663 1HG GLU 95 2HG GLU 95 11.191 14.281 4.878 664 2HG GLU 95 3HG GLU 95 10.125 13.128 4.100 665 H LYS 96 HN LYS 96 11.564 16.295 1.003 666 HA LYS 96 HA LYS 96 9.770 17.734 2.730 667 1HB LYS 96 2HB LYS 96 10.931 19.669 2.038 668 2HB LYS 96 3HB LYS 96 12.145 18.416 2.198 669 1HG LYS 96 2HG LYS 96 12.169 18.041 -0.228 670 2HG LYS 96 3HG LYS 96 10.809 19.121 -0.455 671 1HD LYS 96 2HD LYS 96 12.966 20.457 1.019 672 2HD LYS 96 3HD LYS 96 13.555 19.813 -0.501 673 1HE LYS 96 2HE LYS 96 11.432 20.908 -1.570 674 2HE LYS 96 3HE LYS 96 11.287 21.794 -0.065 675 1HZ LYS 96 1HZ LYS 96 13.723 21.763 -1.707 676 2HZ LYS 96 2HZ LYS 96 12.590 22.937 -1.772 677 3HZ LYS 96 3HZ LYS 96 13.441 22.699 -0.398 678 H ASN 97 HN ASN 97 9.981 16.695 -0.671 679 HA ASN 97 HA ASN 97 7.969 18.426 -1.569 680 1HB ASN 97 2HB ASN 97 9.122 15.808 -2.645 681 2HB ASN 97 3HB ASN 97 7.872 16.684 -3.505 682 1HD2 ASN 97 1HD2 ASN 97 10.120 16.303 -4.814 683 2HD2 ASN 97 2HD2 ASN 97 11.083 17.737 -4.946 684 H LYS 98 HN LYS 98 8.053 15.463 0.280 685 HA LYS 98 HA LYS 98 5.618 14.325 -0.529 686 1HB LYS 98 2HB LYS 98 6.032 12.763 1.079 687 2HB LYS 98 3HB LYS 98 7.648 13.416 0.902 688 1HG LYS 98 2HG LYS 98 7.368 13.468 3.235 689 2HG LYS 98 3HG LYS 98 6.934 15.107 2.789 690 1HD LYS 98 2HD LYS 98 4.492 13.859 2.529 691 2HD LYS 98 3HD LYS 98 5.204 12.897 3.810 692 1HE LYS 98 2HE LYS 98 5.497 15.875 4.064 693 2HE LYS 98 3HE LYS 98 3.879 15.235 4.268 694 1HZ LYS 98 1HZ LYS 98 4.942 13.615 5.844 695 2HZ LYS 98 2HZ LYS 98 6.275 14.557 5.806 696 3HZ LYS 98 3HZ LYS 98 4.861 15.164 6.353 697 H GLU 99 HN GLU 99 6.509 16.796 1.924 698 HA GLU 99 HA GLU 99 4.033 16.887 3.154 699 1HB GLU 99 2HB GLU 99 6.518 18.211 3.375 700 2HB GLU 99 3HB GLU 99 5.367 19.494 3.058 701 1HG GLU 99 2HG GLU 99 4.009 17.899 4.913 702 2HG GLU 99 3HG GLU 99 5.671 17.793 5.461 703 H GLU 100 HN GLU 100 5.380 18.650 0.308 704 HA GLU 100 HA GLU 100 3.104 20.280 0.028 705 1HB GLU 100 2HB GLU 100 5.479 19.615 -1.735 706 2HB GLU 100 3HB GLU 100 4.162 20.591 -2.354 707 1HG GLU 100 2HG GLU 100 5.325 21.334 0.329 708 2HG GLU 100 3HG GLU 100 6.272 21.695 -1.101 709 H LEU 101 HN LEU 101 4.132 17.094 -1.228 710 HA LEU 101 HA LEU 101 2.232 16.889 -3.269 711 1HB LEU 101 2HB LEU 101 3.982 15.036 -1.736 712 2HB LEU 101 3HB LEU 101 2.645 14.333 -2.624 713 HG LEU 101 HG LEU 101 4.246 16.254 -4.186 714 1HD1 LEU 101 1HD1 LEU 101 5.620 13.645 -3.902 715 2HD1 LEU 101 2HD1 LEU 101 6.279 15.276 -4.182 716 3HD1 LEU 101 3HD1 LEU 101 5.794 14.780 -2.542 717 1HD2 LEU 101 1HD2 LEU 101 2.377 14.431 -4.800 718 2HD2 LEU 101 2HD2 LEU 101 3.641 14.954 -5.938 719 3HD2 LEU 101 3HD2 LEU 101 3.834 13.436 -5.030 720 H LYS 102 HN LYS 102 2.107 16.307 0.258 721 HA LYS 102 HA LYS 102 -0.138 14.818 0.497 722 1HB LYS 102 2HB LYS 102 1.441 15.842 2.273 723 2HB LYS 102 3HB LYS 102 0.356 17.218 2.258 724 1HG LYS 102 2HG LYS 102 -0.903 16.064 3.763 725 2HG LYS 102 3HG LYS 102 -1.424 15.080 2.410 726 1HD LYS 102 2HD LYS 102 1.060 13.964 3.081 727 2HD LYS 102 3HD LYS 102 0.388 14.393 4.641 728 1HE LYS 102 2HE LYS 102 -1.225 12.771 4.528 729 2HE LYS 102 3HE LYS 102 -1.611 13.138 2.859 730 1HZ LYS 102 1HZ LYS 102 -0.635 10.964 3.096 731 2HZ LYS 102 2HZ LYS 102 0.336 11.914 2.190 732 3HZ LYS 102 3HZ LYS 102 0.727 11.592 3.743 733 H SER 103 HN SER 103 0.157 18.161 -0.638 734 HA SER 103 HA SER 103 -2.668 18.572 -0.422 735 1HB SER 103 2HB SER 103 -0.271 20.203 -1.048 736 2HB SER 103 3HB SER 103 -1.686 20.646 -1.982 737 HG SER 103 HG SER 103 -1.562 21.812 0.045 738 H LEU 104 HN LEU 104 -0.182 17.820 -2.897 739 HA LEU 104 HA LEU 104 -2.054 18.057 -5.059 740 1HB LEU 104 2HB LEU 104 0.830 17.371 -4.739 741 2HB LEU 104 3HB LEU 104 0.009 16.844 -6.195 742 HG LEU 104 HG LEU 104 0.948 18.868 -6.819 743 1HD1 LEU 104 1HD1 LEU 104 -1.714 18.651 -6.938 744 2HD1 LEU 104 2HD1 LEU 104 -1.604 20.127 -5.950 745 3HD1 LEU 104 3HD1 LEU 104 -0.831 20.069 -7.553 746 1HD2 LEU 104 1HD2 LEU 104 1.302 20.753 -5.514 747 2HD2 LEU 104 2HD2 LEU 104 -0.032 20.365 -4.401 748 3HD2 LEU 104 3HD2 LEU 104 1.479 19.425 -4.343 749 H GLY 105 HN GLY 105 -1.851 15.928 -2.549 750 1HA GLY 105 1HA GLY 105 -2.420 13.553 -4.200 751 2HA GLY 105 2HA GLY 105 -1.940 13.560 -2.514 752 H THR 106 HN THR 106 -4.300 12.249 -3.700 753 HA THR 106 HA THR 106 -6.579 12.286 -3.638 754 HB THR 106 HB THR 106 -5.684 11.204 -1.553 755 HG1 THR 106 HG1 THR 106 -7.885 11.096 -1.331 756 1HG2 THR 106 1HG2 THR 106 -5.461 12.373 0.492 757 2HG2 THR 106 2HG2 THR 106 -4.803 13.558 -0.662 758 3HG2 THR 106 3HG2 THR 106 -6.471 13.728 -0.065 759 H GLY 107 HN GLY 107 -7.232 14.071 -4.870 760 1HA GLY 107 1HA GLY 107 -8.991 15.814 -3.861 761 2HA GLY 107 2HA GLY 107 -7.481 16.650 -3.558 762 H ALA 108 HN ALA 108 -9.977 16.480 -5.711 763 HA ALA 108 HA ALA 108 -8.584 17.915 -7.694 764 1HB ALA 108 1HB ALA 108 -9.299 15.992 -9.450 765 2HB ALA 108 2HB ALA 108 -7.682 16.065 -8.708 766 3HB ALA 108 3HB ALA 108 -8.916 14.966 -8.046 767 HA PRO 109 HA PRO 109 -13.028 18.531 -7.424 768 1HB PRO 109 2HB PRO 109 -12.971 21.252 -7.173 769 2HB PRO 109 3HB PRO 109 -13.010 20.164 -5.800 770 1HG PRO 109 2HG PRO 109 -10.737 21.727 -6.862 771 2HG PRO 109 3HG PRO 109 -10.917 20.986 -5.284 772 1HD PRO 109 2HD PRO 109 -9.336 20.008 -7.468 773 2HD PRO 109 3HD PRO 109 -9.610 19.210 -5.932 774 H VAL 110 HN VAL 110 -14.620 19.609 -8.825 775 HA VAL 110 HA VAL 110 -13.345 20.532 -11.288 776 HB VAL 110 HB VAL 110 -13.824 18.087 -11.429 777 1HG1 VAL 110 1HG1 VAL 110 -16.034 17.229 -11.451 778 2HG1 VAL 110 2HG1 VAL 110 -15.930 18.254 -9.999 779 3HG1 VAL 110 3HG1 VAL 110 -16.752 18.858 -11.458 780 1HG2 VAL 110 1HG2 VAL 110 -14.769 18.179 -13.640 781 2HG2 VAL 110 2HG2 VAL 110 -15.524 19.757 -13.308 782 3HG2 VAL 110 3HG2 VAL 110 -13.752 19.622 -13.410 783 H ILE 111 HN ILE 111 -14.661 21.987 -12.524 784 HA ILE 111 HA ILE 111 -16.177 23.727 -11.049 785 HB ILE 111 HB ILE 111 -15.104 24.121 -13.253 786 1HG1 ILE 111 2HG1 ILE 111 -16.742 25.682 -12.207 787 2HG1 ILE 111 3HG1 ILE 111 -16.665 25.787 -13.955 788 1HG2 ILE 111 1HG2 ILE 111 -17.204 22.216 -14.115 789 2HG2 ILE 111 2HG2 ILE 111 -16.940 23.629 -15.165 790 3HG2 ILE 111 3HG2 ILE 111 -15.586 22.537 -14.786 791 1HD1 ILE 111 1HD1 ILE 111 -18.889 24.854 -12.209 792 2HD1 ILE 111 2HD1 ILE 111 -18.947 25.629 -13.810 793 3HD1 ILE 111 3HD1 ILE 111 -18.623 23.884 -13.677 Start of MODEL 17 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.523 0.666 -1.910 3 1HB ASP 8 2HB ASP 8 3.652 0.681 0.035 4 2HB ASP 8 3HB ASP 8 4.197 -0.277 -1.327 5 HA PRO 9 HA PRO 9 2.074 -3.385 -3.528 6 1HB PRO 9 2HB PRO 9 3.976 -3.210 -5.482 7 2HB PRO 9 3HB PRO 9 2.320 -2.684 -5.707 8 1HG PRO 9 2HG PRO 9 4.747 -1.045 -5.303 9 2HG PRO 9 3HG PRO 9 3.189 -0.560 -5.943 10 1HD PRO 9 2HD PRO 9 4.203 -0.034 -3.312 11 2HD PRO 9 3HD PRO 9 2.602 0.348 -3.914 12 H ALA 10 HN ALA 10 5.329 -2.088 -3.091 13 HA ALA 10 HA ALA 10 6.138 -3.678 -1.096 14 1HB ALA 10 1HB ALA 10 5.753 -5.264 -3.529 15 2HB ALA 10 2HB ALA 10 7.418 -5.373 -2.911 16 3HB ALA 10 3HB ALA 10 6.048 -5.799 -1.857 17 H VAL 11 HN VAL 11 7.209 -1.599 -0.928 18 HA VAL 11 HA VAL 11 9.178 -0.962 -2.935 19 HB VAL 11 HB VAL 11 8.577 0.342 -0.273 20 1HG1 VAL 11 1HG1 VAL 11 9.512 2.366 -1.615 21 2HG1 VAL 11 2HG1 VAL 11 10.650 1.179 -0.934 22 3HG1 VAL 11 3HG1 VAL 11 10.237 1.125 -2.665 23 1HG2 VAL 11 1HG2 VAL 11 7.534 1.198 -2.986 24 2HG2 VAL 11 2HG2 VAL 11 6.611 0.163 -1.871 25 3HG2 VAL 11 3HG2 VAL 11 7.069 1.812 -1.382 26 H ASP 12 HN ASP 12 8.964 -2.462 0.290 27 HA ASP 12 HA ASP 12 11.647 -2.253 0.933 28 1HB ASP 12 2HB ASP 12 9.317 -3.374 2.052 29 2HB ASP 12 3HB ASP 12 10.366 -4.758 1.820 30 H ARG 13 HN ARG 13 9.725 -4.532 -1.058 31 HA ARG 13 HA ARG 13 11.492 -6.610 -1.188 32 1HB ARG 13 2HB ARG 13 9.058 -6.283 -2.173 33 2HB ARG 13 3HB ARG 13 9.885 -5.718 -3.611 34 1HG ARG 13 2HG ARG 13 11.082 -7.837 -3.846 35 2HG ARG 13 3HG ARG 13 10.512 -8.394 -2.285 36 1HD ARG 13 2HD ARG 13 8.667 -7.745 -4.635 37 2HD ARG 13 3HD ARG 13 9.238 -9.359 -4.260 38 HE ARG 13 HE ARG 13 8.157 -8.496 -1.856 39 1HH1 ARG 13 2HH2 ARG 13 6.937 -8.716 -5.150 40 2HH1 ARG 13 1HH2 ARG 13 5.293 -8.959 -4.661 41 1HH2 ARG 13 2HH1 ARG 13 5.988 -8.816 -1.211 42 2HH2 ARG 13 1HH1 ARG 13 4.750 -9.016 -2.405 43 H SER 14 HN SER 14 11.395 -3.487 -2.945 44 HA SER 14 HA SER 14 13.194 -4.131 -4.937 45 1HB SER 14 2HB SER 14 11.958 -1.718 -3.814 46 2HB SER 14 3HB SER 14 13.599 -1.403 -4.341 47 HG SER 14 HG SER 14 12.448 -1.104 -6.194 48 H LEU 15 HN LEU 15 13.619 -3.067 -1.541 49 HA LEU 15 HA LEU 15 16.383 -2.525 -1.767 50 1HB LEU 15 2HB LEU 15 14.563 -3.080 0.573 51 2HB LEU 15 3HB LEU 15 16.266 -2.706 0.753 52 HG LEU 15 HG LEU 15 15.009 -0.720 -0.927 53 1HD1 LEU 15 1HD1 LEU 15 12.923 -0.899 -0.006 54 2HD1 LEU 15 2HD1 LEU 15 13.535 -1.503 1.553 55 3HD1 LEU 15 3HD1 LEU 15 13.680 0.225 1.149 56 1HD2 LEU 15 1HD2 LEU 15 17.092 -0.842 0.817 57 2HD2 LEU 15 2HD2 LEU 15 16.366 0.664 0.208 58 3HD2 LEU 15 3HD2 LEU 15 15.878 0.019 1.794 59 H ARG 16 HN ARG 16 14.507 -5.435 -1.743 60 HA ARG 16 HA ARG 16 16.786 -6.945 -0.799 61 1HB ARG 16 2HB ARG 16 14.051 -8.046 -1.591 62 2HB ARG 16 3HB ARG 16 15.258 -8.824 -0.587 63 1HG ARG 16 2HG ARG 16 14.888 -7.302 1.237 64 2HG ARG 16 3HG ARG 16 14.026 -6.163 0.223 65 1HD ARG 16 2HD ARG 16 12.063 -7.183 0.727 66 2HD ARG 16 3HD ARG 16 12.643 -8.676 0.017 67 HE ARG 16 HE ARG 16 13.288 -9.458 2.171 68 1HH1 ARG 16 2HH2 ARG 16 12.122 -6.142 2.312 69 2HH1 ARG 16 1HH2 ARG 16 11.965 -6.135 4.037 70 1HH2 ARG 16 2HH1 ARG 16 13.082 -9.450 4.446 71 2HH2 ARG 16 1HH1 ARG 16 12.516 -8.030 5.259 72 H SER 17 HN SER 17 16.050 -9.400 -2.272 73 HA SER 17 HA SER 17 16.580 -10.425 -4.110 74 1HB SER 17 2HB SER 17 15.925 -9.037 -6.323 75 2HB SER 17 3HB SER 17 14.717 -9.797 -5.305 76 HG SER 17 HG SER 17 14.519 -7.384 -5.942 77 H VAL 18 HN VAL 18 18.660 -10.792 -4.784 78 HA VAL 18 HA VAL 18 20.200 -8.445 -5.653 79 HB VAL 18 HB VAL 18 22.087 -10.176 -4.738 80 1HG1 VAL 18 1HG1 VAL 18 21.771 -7.689 -4.336 81 2HG1 VAL 18 2HG1 VAL 18 20.743 -8.131 -2.952 82 3HG1 VAL 18 3HG1 VAL 18 22.456 -8.616 -2.980 83 1HG2 VAL 18 1HG2 VAL 18 20.255 -11.648 -3.824 84 2HG2 VAL 18 2HG2 VAL 18 21.450 -11.102 -2.624 85 3HG2 VAL 18 3HG2 VAL 18 19.848 -10.330 -2.699 86 H PHE 19 HN PHE 19 20.941 -8.589 -7.710 87 HA PHE 19 HA PHE 19 20.384 -10.939 -9.201 88 1HB PHE 19 2HB PHE 19 20.284 -8.596 -10.093 89 2HB PHE 19 3HB PHE 19 21.975 -8.354 -9.704 90 HD1 PHE 19 HD1 PHE 19 19.721 -9.183 -12.257 91 HD2 PHE 19 HD2 PHE 19 23.631 -10.060 -10.861 92 HE1 PHE 19 HE1 PHE 19 20.363 -9.973 -14.551 93 HE2 PHE 19 HE2 PHE 19 24.273 -10.851 -13.155 94 HZ PHE 19 HZ PHE 19 22.631 -10.798 -14.972 95 H VAL 20 HN VAL 20 21.691 -12.652 -9.697 96 HA VAL 20 HA VAL 20 24.530 -12.359 -8.989 97 HB VAL 20 HB VAL 20 23.057 -14.971 -8.906 98 1HG1 VAL 20 1HG1 VAL 20 25.534 -14.924 -8.793 99 2HG1 VAL 20 2HG1 VAL 20 25.429 -13.911 -7.333 100 3HG1 VAL 20 3HG1 VAL 20 24.793 -15.573 -7.311 101 1HG2 VAL 20 1HG2 VAL 20 21.643 -13.847 -7.452 102 2HG2 VAL 20 2HG2 VAL 20 22.904 -14.442 -6.345 103 3HG2 VAL 20 3HG2 VAL 20 22.921 -12.746 -6.887 104 H GLY 21 HN GLY 21 26.001 -12.866 -10.567 105 1HA GLY 21 1HA GLY 21 24.961 -14.223 -12.977 106 2HA GLY 21 2HA GLY 21 25.891 -12.742 -13.087 107 H ASN 22 HN ASN 22 27.200 -14.424 -14.472 108 HA ASN 22 HA ASN 22 29.070 -15.486 -14.747 109 1HB ASN 22 2HB ASN 22 29.843 -13.734 -12.935 110 2HB ASN 22 3HB ASN 22 29.824 -15.086 -11.819 111 1HD2 ASN 22 1HD2 ASN 22 32.042 -13.466 -12.769 112 2HD2 ASN 22 2HD2 ASN 22 33.198 -14.533 -13.495 113 H ILE 23 HN ILE 23 26.560 -16.725 -13.443 114 HA ILE 23 HA ILE 23 27.770 -18.935 -11.970 115 HB ILE 23 HB ILE 23 24.830 -18.558 -12.396 116 1HG1 ILE 23 2HG1 ILE 23 26.464 -17.081 -10.311 117 2HG1 ILE 23 3HG1 ILE 23 25.749 -16.346 -11.731 118 1HG2 ILE 23 1HG2 ILE 23 26.611 -19.908 -10.388 119 2HG2 ILE 23 2HG2 ILE 23 24.954 -19.430 -9.949 120 3HG2 ILE 23 3HG2 ILE 23 25.228 -20.556 -11.300 121 1HD1 ILE 23 1HD1 ILE 23 23.862 -16.042 -10.514 122 2HD1 ILE 23 2HD1 ILE 23 23.631 -17.806 -10.561 123 3HD1 ILE 23 3HD1 ILE 23 24.489 -17.057 -9.193 124 HA PRO 24 HA PRO 24 27.570 -21.135 -15.747 125 1HB PRO 24 2HB PRO 24 29.040 -23.294 -14.943 126 2HB PRO 24 3HB PRO 24 29.759 -21.830 -15.585 127 1HG PRO 24 2HG PRO 24 29.651 -22.767 -12.783 128 2HG PRO 24 3HG PRO 24 30.703 -21.562 -13.497 129 1HD PRO 24 2HD PRO 24 28.400 -21.075 -11.859 130 2HD PRO 24 3HD PRO 24 29.383 -19.872 -12.668 131 H TYR 25 HN TYR 25 27.106 -23.562 -16.393 132 HA TYR 25 HA TYR 25 24.513 -24.016 -15.321 133 1HB TYR 25 2HB TYR 25 26.512 -25.343 -17.221 134 2HB TYR 25 3HB TYR 25 25.051 -26.211 -16.795 135 HD1 TYR 25 HD1 TYR 25 23.939 -26.261 -18.886 136 HD2 TYR 25 HD2 TYR 25 25.344 -22.533 -17.326 137 HE1 TYR 25 HE1 TYR 25 22.674 -25.014 -20.705 138 HE2 TYR 25 HE2 TYR 25 24.074 -21.299 -19.151 139 HH TYR 25 HH TYR 25 22.004 -21.805 -20.557 140 H GLU 26 HN GLU 26 27.643 -24.766 -14.178 141 HA GLU 26 HA GLU 26 26.802 -27.266 -13.015 142 1HB GLU 26 2HB GLU 26 29.184 -26.593 -14.019 143 2HB GLU 26 3HB GLU 26 29.453 -25.960 -12.407 144 1HG GLU 26 2HG GLU 26 28.230 -28.640 -12.337 145 2HG GLU 26 3HG GLU 26 29.744 -28.640 -13.219 146 H ALA 27 HN ALA 27 26.576 -23.950 -12.328 147 HA ALA 27 HA ALA 27 26.632 -24.444 -9.433 148 1HB ALA 27 1HB ALA 27 28.161 -22.684 -10.333 149 2HB ALA 27 2HB ALA 27 26.743 -21.816 -10.968 150 3HB ALA 27 3HB ALA 27 26.941 -22.033 -9.212 151 H THR 28 HN THR 28 24.582 -25.291 -9.048 152 HA THR 28 HA THR 28 22.300 -23.907 -10.221 153 HB THR 28 HB THR 28 21.127 -25.893 -9.003 154 HG1 THR 28 HG1 THR 28 22.561 -27.109 -7.829 155 1HG2 THR 28 1HG2 THR 28 23.266 -26.330 -11.142 156 2HG2 THR 28 2HG2 THR 28 22.200 -27.641 -10.581 157 3HG2 THR 28 3HG2 THR 28 21.506 -26.207 -11.376 158 H GLU 29 HN GLU 29 20.332 -23.751 -8.586 159 HA GLU 29 HA GLU 29 20.986 -21.687 -6.897 160 1HB GLU 29 2HB GLU 29 18.580 -23.443 -7.301 161 2HB GLU 29 3HB GLU 29 18.615 -22.447 -5.859 162 1HG GLU 29 2HG GLU 29 19.056 -20.424 -7.284 163 2HG GLU 29 3HG GLU 29 18.978 -21.429 -8.718 164 H GLU 30 HN GLU 30 21.000 -25.193 -6.405 165 HA GLU 30 HA GLU 30 20.808 -25.224 -3.652 166 1HB GLU 30 2HB GLU 30 20.721 -27.187 -5.308 167 2HB GLU 30 3HB GLU 30 22.473 -27.144 -5.330 168 1HG GLU 30 2HG GLU 30 22.520 -27.476 -2.854 169 2HG GLU 30 3HG GLU 30 20.768 -27.497 -2.818 170 H GLN 31 HN GLN 31 23.520 -24.499 -5.846 171 HA GLN 31 HA GLN 31 25.360 -24.521 -3.629 172 1HB GLN 31 2HB GLN 31 25.680 -24.097 -6.623 173 2HB GLN 31 3HB GLN 31 27.004 -23.823 -5.508 174 1HG GLN 31 2HG GLN 31 25.924 -26.342 -4.760 175 2HG GLN 31 3HG GLN 31 25.933 -26.355 -6.512 176 1HE2 GLN 31 1HE2 GLN 31 27.783 -26.408 -3.624 177 2HE2 GLN 31 2HE2 GLN 31 29.364 -26.578 -4.312 178 H LEU 32 HN LEU 32 23.878 -22.233 -6.000 179 HA LEU 32 HA LEU 32 25.241 -19.958 -5.191 180 1HB LEU 32 2HB LEU 32 22.498 -20.350 -6.386 181 2HB LEU 32 3HB LEU 32 23.225 -18.774 -6.139 182 HG LEU 32 HG LEU 32 24.108 -18.951 -8.168 183 1HD1 LEU 32 1HD1 LEU 32 26.086 -20.367 -8.510 184 2HD1 LEU 32 2HD1 LEU 32 26.122 -19.537 -6.936 185 3HD1 LEU 32 3HD1 LEU 32 25.697 -21.263 -7.023 186 1HD2 LEU 32 1HD2 LEU 32 23.201 -20.425 -9.563 187 2HD2 LEU 32 2HD2 LEU 32 24.019 -21.791 -8.767 188 3HD2 LEU 32 3HD2 LEU 32 22.461 -21.199 -8.141 189 H LYS 33 HN LYS 33 22.115 -21.368 -4.024 190 HA LYS 33 HA LYS 33 21.617 -19.351 -2.155 191 1HB LYS 33 2HB LYS 33 20.124 -21.281 -3.142 192 2HB LYS 33 3HB LYS 33 20.701 -22.183 -1.755 193 1HG LYS 33 2HG LYS 33 19.516 -20.903 -0.252 194 2HG LYS 33 3HG LYS 33 19.815 -19.411 -1.122 195 1HD LYS 33 2HD LYS 33 17.497 -19.722 -1.430 196 2HD LYS 33 3HD LYS 33 18.164 -20.358 -2.921 197 1HE LYS 33 2HE LYS 33 17.832 -22.621 -2.260 198 2HE LYS 33 3HE LYS 33 17.732 -22.213 -0.559 199 1HZ LYS 33 1HZ LYS 33 15.663 -21.004 -1.118 200 2HZ LYS 33 2HZ LYS 33 15.734 -21.629 -2.626 201 3HZ LYS 33 3HZ LYS 33 15.569 -22.620 -1.338 202 H ASP 34 HN ASP 34 23.565 -22.356 -2.048 203 HA ASP 34 HA ASP 34 23.929 -22.357 0.701 204 1HB ASP 34 2HB ASP 34 24.714 -23.926 -1.488 205 2HB ASP 34 3HB ASP 34 26.239 -23.308 -0.885 206 H ILE 35 HN ILE 35 25.640 -20.812 -2.069 207 HA ILE 35 HA ILE 35 27.857 -19.913 -0.564 208 HB ILE 35 HB ILE 35 26.717 -18.975 -3.199 209 1HG1 ILE 35 2HG1 ILE 35 29.163 -20.660 -3.036 210 2HG1 ILE 35 3HG1 ILE 35 27.644 -21.457 -2.681 211 1HG2 ILE 35 1HG2 ILE 35 28.166 -17.295 -3.046 212 2HG2 ILE 35 2HG2 ILE 35 28.901 -17.964 -1.569 213 3HG2 ILE 35 3HG2 ILE 35 29.462 -18.509 -3.168 214 1HD1 ILE 35 1HD1 ILE 35 28.705 -20.724 -5.249 215 2HD1 ILE 35 2HD1 ILE 35 27.173 -21.557 -4.890 216 3HD1 ILE 35 3HD1 ILE 35 27.219 -19.780 -4.983 217 H PHE 36 HN PHE 36 24.731 -18.414 -1.593 218 HA PHE 36 HA PHE 36 25.310 -15.919 -0.428 219 1HB PHE 36 2HB PHE 36 23.015 -17.477 -1.594 220 2HB PHE 36 3HB PHE 36 22.530 -16.214 -0.482 221 HD1 PHE 36 HD1 PHE 36 21.633 -14.524 -1.789 222 HD2 PHE 36 HD2 PHE 36 25.318 -16.274 -2.957 223 HE1 PHE 36 HE1 PHE 36 21.861 -12.823 -3.621 224 HE2 PHE 36 HE2 PHE 36 25.546 -14.574 -4.788 225 HZ PHE 36 HZ PHE 36 23.815 -12.868 -5.099 226 H SER 37 HN SER 37 24.026 -18.987 0.817 227 HA SER 37 HA SER 37 22.755 -17.953 3.054 228 1HB SER 37 2HB SER 37 22.751 -20.230 3.879 229 2HB SER 37 3HB SER 37 22.514 -20.290 2.144 230 HG SER 37 HG SER 37 24.976 -20.787 3.584 231 H GLU 38 HN GLU 38 26.158 -18.754 2.322 232 HA GLU 38 HA GLU 38 27.008 -18.664 5.000 233 1HB GLU 38 2HB GLU 38 28.486 -19.845 3.639 234 2HB GLU 38 3HB GLU 38 28.324 -18.729 2.298 235 1HG GLU 38 2HG GLU 38 30.550 -18.473 3.294 236 2HG GLU 38 3HG GLU 38 29.625 -17.010 3.568 237 H VAL 39 HN VAL 39 25.938 -16.256 2.823 238 HA VAL 39 HA VAL 39 27.554 -14.200 4.146 239 HB VAL 39 HB VAL 39 25.790 -13.546 1.857 240 1HG1 VAL 39 1HG1 VAL 39 27.174 -11.814 2.783 241 2HG1 VAL 39 2HG1 VAL 39 28.625 -12.838 2.675 242 3HG1 VAL 39 3HG1 VAL 39 27.838 -12.252 1.190 243 1HG2 VAL 39 1HG2 VAL 39 27.474 -14.397 0.220 244 2HG2 VAL 39 2HG2 VAL 39 28.265 -15.277 1.549 245 3HG2 VAL 39 3HG2 VAL 39 26.598 -15.686 1.080 246 H GLY 40 HN GLY 40 24.860 -15.865 4.808 247 1HA GLY 40 1HA GLY 40 23.699 -14.567 6.704 248 2HA GLY 40 2HA GLY 40 23.170 -13.527 5.396 249 HA PRO 41 HA PRO 41 20.315 -17.122 5.768 250 1HB PRO 41 2HB PRO 41 18.123 -15.878 6.826 251 2HB PRO 41 3HB PRO 41 19.285 -16.762 7.796 252 1HG PRO 41 2HG PRO 41 18.937 -13.839 7.529 253 2HG PRO 41 3HG PRO 41 19.776 -14.735 8.780 254 1HD PRO 41 2HD PRO 41 20.970 -13.291 6.608 255 2HD PRO 41 3HD PRO 41 21.801 -14.282 7.791 256 H VAL 42 HN VAL 42 19.913 -17.591 3.696 257 HA VAL 42 HA VAL 42 18.745 -15.464 2.114 258 HB VAL 42 HB VAL 42 20.625 -16.811 1.283 259 1HG1 VAL 42 1HG1 VAL 42 18.960 -19.188 0.709 260 2HG1 VAL 42 2HG1 VAL 42 20.671 -19.068 1.184 261 3HG1 VAL 42 3HG1 VAL 42 19.395 -18.962 2.420 262 1HG2 VAL 42 1HG2 VAL 42 18.017 -17.102 -0.243 263 2HG2 VAL 42 2HG2 VAL 42 19.181 -15.759 -0.342 264 3HG2 VAL 42 3HG2 VAL 42 19.631 -17.375 -0.940 265 H VAL 43 HN VAL 43 16.647 -15.434 1.317 266 HA VAL 43 HA VAL 43 14.841 -17.284 2.638 267 HB VAL 43 HB VAL 43 14.641 -14.632 1.275 268 1HG1 VAL 43 1HG1 VAL 43 12.815 -15.413 0.151 269 2HG1 VAL 43 2HG1 VAL 43 12.520 -16.729 1.312 270 3HG1 VAL 43 3HG1 VAL 43 12.032 -15.065 1.711 271 1HG2 VAL 43 1HG2 VAL 43 13.125 -15.406 3.733 272 2HG2 VAL 43 2HG2 VAL 43 14.894 -15.250 3.854 273 3HG2 VAL 43 3HG2 VAL 43 13.914 -13.868 3.308 274 H SER 44 HN SER 44 14.617 -15.827 -0.660 275 HA SER 44 HA SER 44 14.396 -18.559 -1.657 276 1HB SER 44 2HB SER 44 12.533 -16.270 -1.898 277 2HB SER 44 3HB SER 44 12.902 -17.025 -3.435 278 HG SER 44 HG SER 44 11.743 -18.746 -2.891 279 H PHE 45 HN PHE 45 14.829 -18.659 -4.124 280 HA PHE 45 HA PHE 45 16.416 -16.477 -5.140 281 1HB PHE 45 2HB PHE 45 17.781 -18.227 -3.638 282 2HB PHE 45 3HB PHE 45 17.579 -19.303 -5.006 283 HD1 PHE 45 HD1 PHE 45 20.227 -18.439 -3.964 284 HD2 PHE 45 HD2 PHE 45 17.732 -16.713 -6.931 285 HE1 PHE 45 HE1 PHE 45 22.240 -17.418 -5.062 286 HE2 PHE 45 HE2 PHE 45 19.745 -15.692 -8.029 287 HZ PHE 45 HZ PHE 45 21.975 -16.057 -7.082 288 H ARG 46 HN ARG 46 15.650 -16.217 -7.180 289 HA ARG 46 HA ARG 46 15.163 -18.666 -8.669 290 1HB ARG 46 2HB ARG 46 13.294 -16.452 -8.053 291 2HB ARG 46 3HB ARG 46 13.396 -16.779 -9.772 292 1HG ARG 46 2HG ARG 46 12.588 -18.980 -9.550 293 2HG ARG 46 3HG ARG 46 13.119 -19.123 -7.886 294 1HD ARG 46 2HD ARG 46 11.070 -18.479 -7.150 295 2HD ARG 46 3HD ARG 46 11.221 -16.954 -8.000 296 HE ARG 46 HE ARG 46 10.545 -19.077 -9.847 297 1HH1 ARG 46 2HH2 ARG 46 9.159 -16.992 -7.375 298 2HH1 ARG 46 1HH2 ARG 46 7.557 -17.065 -8.030 299 1HH2 ARG 46 2HH1 ARG 46 8.432 -19.175 -10.712 300 2HH2 ARG 46 1HH1 ARG 46 7.141 -18.316 -9.941 301 H LEU 47 HN LEU 47 16.101 -18.678 -10.723 302 HA LEU 47 HA LEU 47 17.286 -16.132 -11.583 303 1HB LEU 47 2HB LEU 47 18.270 -18.778 -12.550 304 2HB LEU 47 3HB LEU 47 19.120 -17.254 -12.388 305 HG LEU 47 HG LEU 47 18.307 -18.148 -9.776 306 1HD1 LEU 47 1HD1 LEU 47 19.437 -20.247 -11.580 307 2HD1 LEU 47 2HD1 LEU 47 19.991 -20.178 -9.890 308 3HD1 LEU 47 3HD1 LEU 47 18.261 -20.386 -10.252 309 1HD2 LEU 47 1HD2 LEU 47 20.787 -17.358 -11.210 310 2HD2 LEU 47 2HD2 LEU 47 20.102 -16.770 -9.676 311 3HD2 LEU 47 3HD2 LEU 47 20.981 -18.317 -9.723 312 H VAL 48 HN VAL 48 17.740 -16.349 -14.160 313 HA VAL 48 HA VAL 48 15.074 -16.683 -15.254 314 HB VAL 48 HB VAL 48 16.240 -15.639 -17.274 315 1HG1 VAL 48 1HG1 VAL 48 16.329 -13.352 -16.078 316 2HG1 VAL 48 2HG1 VAL 48 14.793 -14.251 -16.056 317 3HG1 VAL 48 3HG1 VAL 48 15.845 -14.252 -14.620 318 1HG2 VAL 48 1HG2 VAL 48 18.547 -16.223 -15.923 319 2HG2 VAL 48 2HG2 VAL 48 18.404 -15.009 -17.217 320 3HG2 VAL 48 3HG2 VAL 48 18.320 -14.506 -15.512 321 H TYR 49 HN TYR 49 14.449 -18.495 -16.304 322 HA TYR 49 HA TYR 49 16.579 -20.135 -17.497 323 1HB TYR 49 2HB TYR 49 14.482 -20.623 -15.443 324 2HB TYR 49 3HB TYR 49 14.325 -21.743 -16.781 325 HD1 TYR 49 HD1 TYR 49 16.641 -20.541 -14.139 326 HD2 TYR 49 HD2 TYR 49 15.852 -23.560 -17.066 327 HE1 TYR 49 HE1 TYR 49 18.485 -21.988 -13.154 328 HE2 TYR 49 HE2 TYR 49 17.699 -24.997 -16.072 329 HH TYR 49 HH TYR 49 19.757 -24.633 -14.773 330 H ASP 50 HN ASP 50 16.337 -20.282 -19.666 331 HA ASP 50 HA ASP 50 13.998 -19.357 -20.890 332 1HB ASP 50 2HB ASP 50 16.580 -20.623 -21.745 333 2HB ASP 50 3HB ASP 50 15.255 -20.742 -22.885 334 H ARG 51 HN ARG 51 12.085 -20.557 -20.821 335 HA ARG 51 HA ARG 51 12.153 -23.329 -20.375 336 1HB ARG 51 2HB ARG 51 9.943 -21.346 -21.064 337 2HB ARG 51 3HB ARG 51 9.601 -23.058 -20.910 338 1HG ARG 51 2HG ARG 51 10.481 -23.059 -18.592 339 2HG ARG 51 3HG ARG 51 10.935 -21.373 -18.738 340 1HD ARG 51 2HD ARG 51 8.107 -21.801 -19.451 341 2HD ARG 51 3HD ARG 51 8.457 -22.358 -17.826 342 HE ARG 51 HE ARG 51 9.710 -19.876 -17.959 343 1HH1 ARG 51 2HH2 ARG 51 6.430 -21.025 -18.508 344 2HH1 ARG 51 1HH2 ARG 51 5.691 -19.531 -18.036 345 1HH2 ARG 51 2HH1 ARG 51 8.736 -17.905 -17.337 346 2HH2 ARG 51 1HH1 ARG 51 7.012 -17.744 -17.366 347 H GLU 52 HN GLU 52 11.952 -21.202 -23.214 348 HA GLU 52 HA GLU 52 10.944 -23.167 -24.957 349 1HB GLU 52 2HB GLU 52 12.197 -20.440 -25.261 350 2HB GLU 52 3HB GLU 52 12.036 -21.448 -26.685 351 1HG GLU 52 2HG GLU 52 9.742 -21.260 -26.733 352 2HG GLU 52 3HG GLU 52 9.592 -21.345 -24.989 353 H THR 53 HN THR 53 14.172 -22.205 -23.810 354 HA THR 53 HA THR 53 15.371 -24.133 -25.681 355 HB THR 53 HB THR 53 16.502 -21.749 -24.127 356 HG1 THR 53 HG1 THR 53 16.671 -21.014 -26.379 357 1HG2 THR 53 1HG2 THR 53 18.597 -22.158 -25.319 358 2HG2 THR 53 2HG2 THR 53 18.180 -23.657 -24.454 359 3HG2 THR 53 3HG2 THR 53 17.880 -23.526 -26.204 360 H GLY 54 HN GLY 54 14.121 -23.955 -22.588 361 1HA GLY 54 1HA GLY 54 14.430 -25.145 -20.703 362 2HA GLY 54 2HA GLY 54 14.988 -26.421 -21.767 363 H LYS 55 HN LYS 55 16.773 -23.388 -21.834 364 HA LYS 55 HA LYS 55 18.858 -24.655 -20.196 365 1HB LYS 55 2HB LYS 55 19.063 -23.088 -22.770 366 2HB LYS 55 3HB LYS 55 20.426 -23.257 -21.683 367 1HG LYS 55 2HG LYS 55 18.860 -25.547 -22.961 368 2HG LYS 55 3HG LYS 55 20.470 -25.025 -23.414 369 1HD LYS 55 2HD LYS 55 20.730 -25.442 -20.665 370 2HD LYS 55 3HD LYS 55 19.609 -26.707 -21.131 371 1HE LYS 55 2HE LYS 55 21.245 -27.296 -23.033 372 2HE LYS 55 3HE LYS 55 22.388 -26.197 -22.285 373 1HZ LYS 55 1HZ LYS 55 22.095 -27.516 -20.231 374 2HZ LYS 55 2HZ LYS 55 21.217 -28.602 -21.078 375 3HZ LYS 55 3HZ LYS 55 22.785 -28.346 -21.456 376 HA PRO 56 HA PRO 56 18.592 -21.099 -17.758 377 1HB PRO 56 2HB PRO 56 20.962 -21.246 -16.404 378 2HB PRO 56 3HB PRO 56 19.546 -22.180 -15.963 379 1HG PRO 56 2HG PRO 56 22.008 -23.081 -17.329 380 2HG PRO 56 3HG PRO 56 20.793 -24.042 -16.510 381 1HD PRO 56 2HD PRO 56 21.114 -23.733 -19.343 382 2HD PRO 56 3HD PRO 56 19.831 -24.599 -18.523 383 H LYS 57 HN LYS 57 18.934 -18.916 -17.773 384 HA LYS 57 HA LYS 57 20.327 -17.971 -20.011 385 1HB LYS 57 2HB LYS 57 18.680 -16.910 -17.868 386 2HB LYS 57 3HB LYS 57 20.030 -15.843 -18.197 387 1HG LYS 57 2HG LYS 57 18.242 -16.979 -20.394 388 2HG LYS 57 3HG LYS 57 17.929 -15.443 -19.612 389 1HD LYS 57 2HD LYS 57 19.486 -14.394 -20.888 390 2HD LYS 57 3HD LYS 57 20.720 -15.551 -20.430 391 1HE LYS 57 2HE LYS 57 20.654 -16.150 -22.643 392 2HE LYS 57 3HE LYS 57 19.256 -17.092 -22.166 393 1HZ LYS 57 1HZ LYS 57 18.428 -15.837 -23.848 394 2HZ LYS 57 2HZ LYS 57 18.040 -14.871 -22.590 395 3HZ LYS 57 3HZ LYS 57 19.338 -14.523 -23.517 396 H GLY 58 HN GLY 58 21.117 -17.787 -16.467 397 1HA GLY 58 1HA GLY 58 23.549 -18.554 -16.182 398 2HA GLY 58 2HA GLY 58 23.902 -17.189 -17.222 399 H TYR 59 HN TYR 59 21.384 -15.792 -15.959 400 HA TYR 59 HA TYR 59 22.697 -15.056 -13.430 401 1HB TYR 59 2HB TYR 59 21.801 -12.734 -14.025 402 2HB TYR 59 3HB TYR 59 22.979 -13.313 -15.186 403 HD1 TYR 59 HD1 TYR 59 19.522 -12.322 -14.660 404 HD2 TYR 59 HD2 TYR 59 22.220 -14.175 -17.415 405 HE1 TYR 59 HE1 TYR 59 17.851 -11.970 -16.544 406 HE2 TYR 59 HE2 TYR 59 20.540 -13.817 -19.289 407 HH TYR 59 HH TYR 59 18.711 -12.680 -19.871 408 H GLY 60 HN GLY 60 21.229 -14.193 -11.761 409 1HA GLY 60 1HA GLY 60 18.382 -14.570 -12.160 410 2HA GLY 60 2HA GLY 60 19.139 -15.737 -11.094 411 H PHE 61 HN PHE 61 17.467 -14.544 -9.610 412 HA PHE 61 HA PHE 61 18.946 -12.397 -8.276 413 1HB PHE 61 2HB PHE 61 15.937 -12.659 -8.871 414 2HB PHE 61 3HB PHE 61 16.611 -11.412 -7.841 415 HD1 PHE 61 HD1 PHE 61 17.693 -9.488 -8.773 416 HD2 PHE 61 HD2 PHE 61 16.394 -12.637 -11.304 417 HE1 PHE 61 HE1 PHE 61 18.033 -8.017 -10.778 418 HE2 PHE 61 HE2 PHE 61 16.734 -11.165 -13.309 419 HZ PHE 61 HZ PHE 61 17.549 -8.872 -13.022 420 H CYS 62 HN CYS 62 18.993 -12.523 -6.032 421 HA CYS 62 HA CYS 62 17.541 -14.812 -4.919 422 1HB CYS 62 2HB CYS 62 20.134 -14.824 -4.980 423 2HB CYS 62 3HB CYS 62 20.039 -13.634 -3.697 424 HG CYS 62 HG CYS 62 18.064 -16.223 -3.522 425 H GLU 63 HN GLU 63 15.898 -14.228 -3.542 426 HA GLU 63 HA GLU 63 15.921 -11.495 -2.587 427 1HB GLU 63 2HB GLU 63 13.863 -12.024 -3.650 428 2HB GLU 63 3HB GLU 63 13.772 -13.608 -2.906 429 1HG GLU 63 2HG GLU 63 13.097 -12.742 -0.812 430 2HG GLU 63 3HG GLU 63 13.776 -11.158 -1.129 431 H TYR 64 HN TYR 64 16.440 -11.004 -0.495 432 HA TYR 64 HA TYR 64 16.688 -13.257 1.359 433 1HB TYR 64 2HB TYR 64 17.836 -10.462 0.946 434 2HB TYR 64 3HB TYR 64 17.855 -11.112 2.573 435 HD1 TYR 64 HD1 TYR 64 19.300 -11.342 -0.780 436 HD2 TYR 64 HD2 TYR 64 19.237 -13.088 3.125 437 HE1 TYR 64 HE1 TYR 64 21.448 -12.599 -1.300 438 HE2 TYR 64 HE2 TYR 64 21.385 -14.339 2.592 439 HH TYR 64 HH TYR 64 22.785 -14.916 1.013 440 H GLN 65 HN GLN 65 16.446 -12.301 3.803 441 HA GLN 65 HA GLN 65 13.770 -11.149 3.798 442 1HB GLN 65 2HB GLN 65 14.808 -13.471 5.048 443 2HB GLN 65 3HB GLN 65 14.595 -12.315 6.348 444 1HG GLN 65 2HG GLN 65 12.264 -12.021 4.780 445 2HG GLN 65 3HG GLN 65 12.561 -13.748 4.781 446 1HE2 GLN 65 1HE2 GLN 65 12.955 -14.798 6.855 447 2HE2 GLN 65 2HE2 GLN 65 12.127 -14.241 8.271 448 H ASP 66 HN ASP 66 17.038 -10.427 4.343 449 HA ASP 66 HA ASP 66 16.249 -8.290 6.162 450 1HB ASP 66 2HB ASP 66 19.121 -8.975 6.165 451 2HB ASP 66 3HB ASP 66 18.045 -8.699 7.520 452 H GLN 67 HN GLN 67 16.747 -6.222 5.360 453 HA GLN 67 HA GLN 67 17.676 -5.990 2.748 454 1HB GLN 67 2HB GLN 67 16.146 -4.369 3.867 455 2HB GLN 67 3HB GLN 67 17.450 -3.859 4.921 456 1HG GLN 67 2HG GLN 67 18.756 -3.040 3.003 457 2HG GLN 67 3HG GLN 67 17.584 -3.692 1.875 458 1HE2 GLN 67 1HE2 GLN 67 15.199 -3.037 2.735 459 2HE2 GLN 67 2HE2 GLN 67 14.970 -1.327 2.888 460 H GLU 68 HN GLU 68 19.228 -5.383 5.961 461 HA GLU 68 HA GLU 68 21.596 -4.386 4.940 462 1HB GLU 68 2HB GLU 68 21.046 -4.087 7.275 463 2HB GLU 68 3HB GLU 68 20.931 -5.815 7.543 464 1HG GLU 68 2HG GLU 68 23.212 -6.084 7.709 465 2HG GLU 68 3HG GLU 68 23.549 -4.926 6.438 466 H THR 69 HN THR 69 20.438 -7.727 5.514 467 HA THR 69 HA THR 69 22.950 -8.975 5.144 468 HB THR 69 HB THR 69 20.092 -10.021 4.781 469 HG1 THR 69 HG1 THR 69 20.530 -10.562 7.089 470 1HG2 THR 69 1HG2 THR 69 22.323 -11.660 5.938 471 2HG2 THR 69 2HG2 THR 69 20.962 -12.171 4.912 472 3HG2 THR 69 3HG2 THR 69 22.386 -11.395 4.179 473 H ALA 70 HN ALA 70 20.318 -7.989 2.918 474 HA ALA 70 HA ALA 70 21.368 -9.352 0.688 475 1HB ALA 70 1HB ALA 70 19.935 -7.264 -0.354 476 2HB ALA 70 2HB ALA 70 19.212 -8.775 0.247 477 3HB ALA 70 3HB ALA 70 19.275 -7.339 1.297 478 H LEU 71 HN LEU 71 21.856 -6.077 2.098 479 HA LEU 71 HA LEU 71 23.428 -5.159 -0.076 480 1HB LEU 71 2HB LEU 71 23.069 -3.235 0.922 481 2HB LEU 71 3HB LEU 71 22.207 -4.081 2.192 482 HG LEU 71 HG LEU 71 24.443 -4.367 3.369 483 1HD1 LEU 71 1HD1 LEU 71 25.471 -3.417 0.965 484 2HD1 LEU 71 2HD1 LEU 71 25.644 -2.048 2.090 485 3HD1 LEU 71 3HD1 LEU 71 26.352 -3.629 2.497 486 1HD2 LEU 71 1HD2 LEU 71 24.475 -1.862 4.042 487 2HD2 LEU 71 2HD2 LEU 71 23.065 -1.726 2.964 488 3HD2 LEU 71 3HD2 LEU 71 23.016 -2.832 4.358 489 H SER 72 HN SER 72 24.167 -6.493 3.210 490 HA SER 72 HA SER 72 26.901 -6.250 2.980 491 1HB SER 72 2HB SER 72 25.043 -7.982 4.608 492 2HB SER 72 3HB SER 72 26.759 -8.338 4.644 493 HG SER 72 HG SER 72 25.645 -6.642 6.207 494 H ALA 73 HN ALA 73 24.611 -8.796 1.899 495 HA ALA 73 HA ALA 73 26.577 -10.704 1.239 496 1HB ALA 73 1HB ALA 73 23.763 -10.303 0.145 497 2HB ALA 73 2HB ALA 73 24.729 -11.796 0.052 498 3HB ALA 73 3HB ALA 73 24.173 -11.193 1.631 499 H MET 74 HN MET 74 25.054 -7.950 -0.487 500 HA MET 74 HA MET 74 25.985 -8.615 -3.009 501 1HB MET 74 2HB MET 74 24.545 -6.504 -1.730 502 2HB MET 74 3HB MET 74 25.910 -5.715 -2.495 503 1HG MET 74 2HG MET 74 25.177 -7.329 -4.555 504 2HG MET 74 3HG MET 74 23.621 -7.201 -3.760 505 1HE MET 74 1HE MET 74 22.615 -4.695 -3.007 506 2HE MET 74 2HE MET 74 24.219 -4.375 -2.304 507 3HE MET 74 3HE MET 74 23.484 -3.197 -3.418 508 H ARG 75 HN ARG 75 27.405 -6.528 -0.409 509 HA ARG 75 HA ARG 75 29.669 -5.952 -2.001 510 1HB ARG 75 2HB ARG 75 28.633 -4.540 -0.064 511 2HB ARG 75 3HB ARG 75 29.466 -5.630 1.026 512 1HG ARG 75 2HG ARG 75 31.595 -4.883 0.383 513 2HG ARG 75 3HG ARG 75 31.065 -4.401 -1.216 514 1HD ARG 75 2HD ARG 75 29.553 -2.742 0.464 515 2HD ARG 75 3HD ARG 75 31.090 -2.843 1.299 516 HE ARG 75 HE ARG 75 31.613 -2.402 -1.478 517 1HH1 ARG 75 2HH2 ARG 75 30.272 -0.718 1.306 518 2HH1 ARG 75 1HH2 ARG 75 30.705 0.854 0.724 519 1HH2 ARG 75 2HH1 ARG 75 32.186 -0.328 -2.245 520 2HH2 ARG 75 1HH1 ARG 75 31.802 1.078 -1.309 521 H ASN 76 HN ASN 76 28.689 -8.442 0.303 522 HA ASN 76 HA ASN 76 31.239 -9.229 1.102 523 1HB ASN 76 2HB ASN 76 28.460 -10.347 1.185 524 2HB ASN 76 3HB ASN 76 29.736 -11.545 1.275 525 1HD2 ASN 76 1HD2 ASN 76 27.718 -9.978 3.127 526 2HD2 ASN 76 2HD2 ASN 76 28.638 -9.687 4.565 527 H LEU 77 HN LEU 77 29.084 -9.987 -1.664 528 HA LEU 77 HA LEU 77 31.059 -11.911 -2.655 529 1HB LEU 77 2HB LEU 77 28.157 -11.467 -3.365 530 2HB LEU 77 3HB LEU 77 29.222 -12.576 -4.207 531 HG LEU 77 HG LEU 77 29.053 -12.930 -1.263 532 1HD1 LEU 77 1HD1 LEU 77 26.663 -12.890 -2.959 533 2HD1 LEU 77 2HD1 LEU 77 26.887 -14.417 -2.072 534 3HD1 LEU 77 3HD1 LEU 77 26.821 -12.874 -1.186 535 1HD2 LEU 77 1HD2 LEU 77 28.717 -15.369 -2.285 536 2HD2 LEU 77 2HD2 LEU 77 29.454 -14.589 -3.704 537 3HD2 LEU 77 3HD2 LEU 77 30.316 -14.600 -2.146 538 H ASN 78 HN ASN 78 28.713 -9.658 -4.257 539 HA ASN 78 HA ASN 78 28.979 -8.519 -6.120 540 1HB ASN 78 2HB ASN 78 30.087 -6.486 -5.700 541 2HB ASN 78 3HB ASN 78 29.954 -7.117 -4.070 542 1HD2 ASN 78 1HD2 ASN 78 31.998 -5.917 -6.415 543 2HD2 ASN 78 2HD2 ASN 78 33.536 -6.362 -5.754 544 H GLY 79 HN GLY 79 30.386 -11.117 -6.193 545 1HA GLY 79 1HA GLY 79 31.521 -11.750 -8.252 546 2HA GLY 79 2HA GLY 79 32.636 -10.425 -7.986 547 H ARG 80 HN ARG 80 31.275 -12.964 -5.764 548 HA ARG 80 HA ARG 80 33.869 -13.299 -4.651 549 1HB ARG 80 2HB ARG 80 31.272 -13.625 -3.709 550 2HB ARG 80 3HB ARG 80 31.764 -15.289 -3.952 551 1HG ARG 80 2HG ARG 80 33.520 -13.300 -2.455 552 2HG ARG 80 3HG ARG 80 32.275 -14.226 -1.640 553 1HD ARG 80 2HD ARG 80 34.476 -15.517 -3.320 554 2HD ARG 80 3HD ARG 80 34.619 -15.261 -1.592 555 HE ARG 80 HE ARG 80 32.138 -16.595 -2.099 556 1HH1 ARG 80 2HH2 ARG 80 35.601 -17.210 -2.215 557 2HH1 ARG 80 1HH2 ARG 80 35.438 -18.911 -1.931 558 1HH2 ARG 80 2HH1 ARG 80 31.922 -18.839 -1.724 559 2HH2 ARG 80 1HH1 ARG 80 33.331 -19.843 -1.650 560 H GLU 81 HN GLU 81 35.371 -14.850 -5.246 561 HA GLU 81 HA GLU 81 34.990 -16.358 -7.510 562 1HB GLU 81 2HB GLU 81 36.968 -17.082 -5.320 563 2HB GLU 81 3HB GLU 81 37.149 -17.299 -7.050 564 1HG GLU 81 2HG GLU 81 38.140 -15.267 -7.188 565 2HG GLU 81 3HG GLU 81 36.645 -14.515 -6.666 566 H PHE 82 HN PHE 82 34.276 -18.452 -7.927 567 HA PHE 82 HA PHE 82 34.124 -20.451 -5.987 568 1HB PHE 82 2HB PHE 82 32.309 -19.001 -5.075 569 2HB PHE 82 3HB PHE 82 31.592 -18.844 -6.666 570 HD1 PHE 82 HD1 PHE 82 31.682 -20.758 -3.649 571 HD2 PHE 82 HD2 PHE 82 30.624 -20.936 -7.754 572 HE1 PHE 82 HE1 PHE 82 30.216 -22.741 -3.185 573 HE2 PHE 82 HE2 PHE 82 29.158 -22.920 -7.291 574 HZ PHE 82 HZ PHE 82 28.972 -23.799 -5.011 575 H SER 83 HN SER 83 32.609 -19.005 -8.929 576 HA SER 83 HA SER 83 32.171 -21.641 -9.981 577 1HB SER 83 2HB SER 83 31.128 -20.441 -11.888 578 2HB SER 83 3HB SER 83 30.459 -19.921 -10.354 579 HG SER 83 HG SER 83 31.833 -18.036 -10.432 580 H GLY 84 HN GLY 84 34.942 -20.348 -9.441 581 1HA GLY 84 1HA GLY 84 36.938 -20.889 -10.462 582 2HA GLY 84 2HA GLY 84 36.113 -21.156 -11.984 583 H ARG 85 HN ARG 85 34.929 -18.278 -10.594 584 HA ARG 85 HA ARG 85 37.058 -16.666 -11.659 585 1HB ARG 85 2HB ARG 85 34.474 -17.099 -13.020 586 2HB ARG 85 3HB ARG 85 34.750 -15.401 -12.686 587 1HG ARG 85 2HG ARG 85 37.078 -16.939 -13.799 588 2HG ARG 85 3HG ARG 85 35.736 -16.658 -14.891 589 1HD ARG 85 2HD ARG 85 35.898 -14.250 -14.622 590 2HD ARG 85 3HD ARG 85 36.990 -14.405 -13.261 591 HE ARG 85 HE ARG 85 38.131 -15.715 -15.557 592 1HH1 ARG 85 2HH2 ARG 85 37.473 -12.504 -14.277 593 2HH1 ARG 85 1HH2 ARG 85 38.771 -11.753 -15.143 594 1HH2 ARG 85 2HH1 ARG 85 39.844 -14.725 -16.700 595 2HH2 ARG 85 1HH1 ARG 85 40.129 -13.025 -16.531 596 H ALA 86 HN ALA 86 33.589 -15.812 -11.125 597 HA ALA 86 HA ALA 86 33.850 -15.054 -8.444 598 1HB ALA 86 1HB ALA 86 35.141 -13.200 -8.786 599 2HB ALA 86 2HB ALA 86 34.684 -13.068 -10.502 600 3HB ALA 86 3HB ALA 86 33.581 -12.470 -9.239 601 H LEU 87 HN LEU 87 31.806 -14.596 -7.596 602 HA LEU 87 HA LEU 87 29.650 -14.846 -9.540 603 1HB LEU 87 2HB LEU 87 30.004 -15.434 -6.643 604 2HB LEU 87 3HB LEU 87 28.398 -15.001 -7.194 605 HG LEU 87 HG LEU 87 29.448 -17.528 -7.167 606 1HD1 LEU 87 1HD1 LEU 87 27.152 -17.359 -7.233 607 2HD1 LEU 87 2HD1 LEU 87 27.160 -16.252 -8.626 608 3HD1 LEU 87 3HD1 LEU 87 27.508 -17.981 -8.862 609 1HD2 LEU 87 1HD2 LEU 87 30.061 -18.276 -9.289 610 2HD2 LEU 87 2HD2 LEU 87 29.450 -16.811 -10.093 611 3HD2 LEU 87 3HD2 LEU 87 30.934 -16.735 -9.114 612 H ARG 88 HN ARG 88 29.390 -12.817 -10.460 613 HA ARG 88 HA ARG 88 29.651 -10.466 -9.063 614 1HB ARG 88 2HB ARG 88 29.175 -11.193 -11.700 615 2HB ARG 88 3HB ARG 88 27.644 -10.455 -11.270 616 1HG ARG 88 2HG ARG 88 28.556 -8.388 -11.438 617 2HG ARG 88 3HG ARG 88 29.743 -8.783 -10.211 618 1HD ARG 88 2HD ARG 88 31.133 -9.921 -12.026 619 2HD ARG 88 3HD ARG 88 29.990 -9.319 -13.209 620 HE ARG 88 HE ARG 88 30.691 -7.043 -11.783 621 1HH1 ARG 88 2HH2 ARG 88 32.508 -9.521 -13.499 622 2HH1 ARG 88 1HH2 ARG 88 33.811 -8.458 -13.915 623 1HH2 ARG 88 2HH1 ARG 88 32.409 -5.640 -12.333 624 2HH2 ARG 88 1HH1 ARG 88 33.754 -6.236 -13.247 625 H VAL 89 HN VAL 89 28.260 -9.283 -7.735 626 HA VAL 89 HA VAL 89 25.491 -10.249 -7.574 627 HB VAL 89 HB VAL 89 27.122 -9.276 -5.231 628 1HG1 VAL 89 1HG1 VAL 89 24.641 -9.167 -5.071 629 2HG1 VAL 89 2HG1 VAL 89 24.573 -10.923 -5.350 630 3HG1 VAL 89 3HG1 VAL 89 25.369 -10.284 -3.892 631 1HG2 VAL 89 1HG2 VAL 89 26.854 -11.960 -4.794 632 2HG2 VAL 89 2HG2 VAL 89 27.132 -11.919 -6.552 633 3HG2 VAL 89 3HG2 VAL 89 28.315 -11.180 -5.447 634 H ASP 90 HN ASP 90 23.929 -8.672 -7.652 635 HA ASP 90 HA ASP 90 24.847 -5.944 -7.293 636 1HB ASP 90 2HB ASP 90 22.847 -5.995 -9.372 637 2HB ASP 90 3HB ASP 90 24.488 -5.388 -9.461 638 H ASN 91 HN ASN 91 22.960 -4.446 -6.838 639 HA ASN 91 HA ASN 91 21.031 -5.798 -5.269 640 1HB ASN 91 2HB ASN 91 22.174 -3.306 -5.161 641 2HB ASN 91 3HB ASN 91 20.669 -2.891 -5.957 642 1HD2 ASN 91 1HD2 ASN 91 19.059 -4.932 -4.809 643 2HD2 ASN 91 2HD2 ASN 91 18.788 -4.557 -3.140 644 H ALA 92 HN ALA 92 18.974 -6.431 -5.967 645 HA ALA 92 HA ALA 92 18.234 -6.239 -8.641 646 1HB ALA 92 1HB ALA 92 17.448 -7.969 -7.063 647 2HB ALA 92 2HB ALA 92 16.534 -6.736 -6.162 648 3HB ALA 92 3HB ALA 92 16.079 -7.135 -7.836 649 H ALA 93 HN ALA 93 18.207 -3.876 -6.133 650 HA ALA 93 HA ALA 93 15.958 -2.419 -7.222 651 1HB ALA 93 1HB ALA 93 15.909 -1.721 -5.088 652 2HB ALA 93 2HB ALA 93 17.462 -2.523 -4.755 653 3HB ALA 93 3HB ALA 93 17.437 -0.853 -5.370 654 H SER 94 HN SER 94 18.595 -3.090 -8.735 655 HA SER 94 HA SER 94 19.786 -0.530 -9.050 656 1HB SER 94 2HB SER 94 20.273 -3.293 -9.955 657 2HB SER 94 3HB SER 94 20.599 -2.118 -11.213 658 HG SER 94 HG SER 94 21.596 -1.512 -8.621 659 H GLU 95 HN GLU 95 19.742 0.769 -11.031 660 HA GLU 95 HA GLU 95 17.171 0.903 -12.126 661 1HB GLU 95 2HB GLU 95 19.731 2.390 -12.351 662 2HB GLU 95 3HB GLU 95 18.740 2.457 -13.795 663 1HG GLU 95 2HG GLU 95 16.825 2.886 -11.866 664 2HG GLU 95 3HG GLU 95 18.221 3.596 -11.082 665 H LYS 96 HN LYS 96 20.280 -0.508 -13.197 666 HA LYS 96 HA LYS 96 19.279 -1.042 -15.838 667 1HB LYS 96 2HB LYS 96 21.438 -1.913 -16.286 668 2HB LYS 96 3HB LYS 96 21.672 -0.486 -15.296 669 1HG LYS 96 2HG LYS 96 21.718 -2.072 -13.254 670 2HG LYS 96 3HG LYS 96 21.804 -3.397 -14.398 671 1HD LYS 96 2HD LYS 96 23.841 -2.190 -15.439 672 2HD LYS 96 3HD LYS 96 23.813 -1.132 -14.042 673 1HE LYS 96 2HE LYS 96 23.639 -3.710 -12.920 674 2HE LYS 96 3HE LYS 96 24.755 -3.917 -14.255 675 1HZ LYS 96 1HZ LYS 96 26.186 -2.367 -13.372 676 2HZ LYS 96 2HZ LYS 96 25.059 -1.664 -12.423 677 3HZ LYS 96 3HZ LYS 96 25.653 -3.134 -12.033 678 H ASN 97 HN ASN 97 19.436 -2.626 -12.678 679 HA ASN 97 HA ASN 97 19.072 -5.223 -13.668 680 1HB ASN 97 2HB ASN 97 18.667 -3.883 -10.963 681 2HB ASN 97 3HB ASN 97 18.192 -5.554 -11.193 682 1HD2 ASN 97 1HD2 ASN 97 19.642 -6.763 -10.233 683 2HD2 ASN 97 2HD2 ASN 97 21.362 -6.676 -10.418 684 H LYS 98 HN LYS 98 17.031 -2.421 -13.225 685 HA LYS 98 HA LYS 98 14.585 -3.693 -12.696 686 1HB LYS 98 2HB LYS 98 15.382 -1.165 -12.589 687 2HB LYS 98 3HB LYS 98 14.734 -1.116 -14.217 688 1HG LYS 98 2HG LYS 98 12.839 -2.542 -12.582 689 2HG LYS 98 3HG LYS 98 13.295 -1.094 -11.708 690 1HD LYS 98 2HD LYS 98 12.518 -1.007 -14.652 691 2HD LYS 98 3HD LYS 98 11.318 -0.903 -13.380 692 1HE LYS 98 2HE LYS 98 12.030 1.206 -12.676 693 2HE LYS 98 3HE LYS 98 13.694 0.925 -13.145 694 1HZ LYS 98 1HZ LYS 98 11.904 0.905 -15.354 695 2HZ LYS 98 2HZ LYS 98 11.899 2.331 -14.557 696 3HZ LYS 98 3HZ LYS 98 13.297 1.733 -15.153 697 H GLU 99 HN GLU 99 16.522 -3.218 -15.623 698 HA GLU 99 HA GLU 99 14.409 -3.676 -17.410 699 1HB GLU 99 2HB GLU 99 17.044 -2.842 -17.611 700 2HB GLU 99 3HB GLU 99 17.130 -4.448 -18.307 701 1HG GLU 99 2HG GLU 99 14.748 -3.175 -19.326 702 2HG GLU 99 3HG GLU 99 16.071 -2.039 -19.493 703 H GLU 100 HN GLU 100 16.874 -5.765 -15.816 704 HA GLU 100 HA GLU 100 16.131 -8.056 -17.270 705 1HB GLU 100 2HB GLU 100 17.725 -7.622 -14.717 706 2HB GLU 100 3HB GLU 100 17.446 -9.223 -15.372 707 1HG GLU 100 2HG GLU 100 18.579 -7.010 -17.120 708 2HG GLU 100 3HG GLU 100 19.627 -7.942 -16.069 709 H LEU 101 HN LEU 101 15.304 -6.717 -14.020 710 HA LEU 101 HA LEU 101 13.781 -8.919 -13.192 711 1HB LEU 101 2HB LEU 101 14.008 -6.045 -12.377 712 2HB LEU 101 3HB LEU 101 12.735 -7.044 -11.704 713 HG LEU 101 HG LEU 101 15.178 -8.504 -11.478 714 1HD1 LEU 101 1HD1 LEU 101 16.170 -6.704 -9.786 715 2HD1 LEU 101 2HD1 LEU 101 16.650 -6.770 -11.499 716 3HD1 LEU 101 3HD1 LEU 101 15.440 -5.581 -10.958 717 1HD2 LEU 101 1HD2 LEU 101 13.831 -7.120 -9.178 718 2HD2 LEU 101 2HD2 LEU 101 12.993 -8.416 -10.065 719 3HD2 LEU 101 3HD2 LEU 101 14.549 -8.746 -9.267 720 H LYS 102 HN LYS 102 13.106 -6.107 -15.267 721 HA LYS 102 HA LYS 102 10.349 -6.138 -15.184 722 1HB LYS 102 2HB LYS 102 12.428 -4.934 -16.747 723 2HB LYS 102 3HB LYS 102 11.201 -5.542 -17.841 724 1HG LYS 102 2HG LYS 102 9.477 -4.234 -16.845 725 2HG LYS 102 3HG LYS 102 10.381 -3.994 -15.363 726 1HD LYS 102 2HD LYS 102 11.968 -2.506 -16.491 727 2HD LYS 102 3HD LYS 102 11.271 -2.869 -18.057 728 1HE LYS 102 2HE LYS 102 9.069 -1.894 -17.238 729 2HE LYS 102 3HE LYS 102 9.876 -1.421 -15.756 730 1HZ LYS 102 1HZ LYS 102 10.820 0.277 -16.783 731 2HZ LYS 102 2HZ LYS 102 11.297 -0.605 -18.072 732 3HZ LYS 102 3HZ LYS 102 9.790 0.023 -18.025 733 H SER 103 HN SER 103 12.645 -8.390 -16.655 734 HA SER 103 HA SER 103 10.590 -9.586 -18.251 735 1HB SER 103 2HB SER 103 13.538 -9.826 -17.952 736 2HB SER 103 3HB SER 103 12.730 -11.336 -18.320 737 HG SER 103 HG SER 103 12.051 -10.569 -20.274 738 H LEU 104 HN LEU 104 12.346 -10.130 -15.178 739 HA LEU 104 HA LEU 104 11.228 -12.749 -14.823 740 1HB LEU 104 2HB LEU 104 13.432 -11.395 -13.872 741 2HB LEU 104 3HB LEU 104 12.362 -11.401 -12.485 742 HG LEU 104 HG LEU 104 12.279 -13.784 -12.425 743 1HD1 LEU 104 1HD1 LEU 104 13.103 -13.565 -15.231 744 2HD1 LEU 104 2HD1 LEU 104 13.957 -14.840 -14.328 745 3HD1 LEU 104 3HD1 LEU 104 12.179 -14.836 -14.394 746 1HD2 LEU 104 1HD2 LEU 104 15.092 -12.773 -12.901 747 2HD2 LEU 104 2HD2 LEU 104 14.223 -12.911 -11.354 748 3HD2 LEU 104 3HD2 LEU 104 14.709 -14.379 -12.235 749 H GLY 105 HN GLY 105 10.041 -9.577 -14.614 750 1HA GLY 105 1HA GLY 105 7.672 -9.432 -14.124 751 2HA GLY 105 2HA GLY 105 7.937 -10.462 -12.731 752 H THR 106 HN THR 106 8.845 -9.611 -10.795 753 HA THR 106 HA THR 106 10.087 -7.139 -10.568 754 HB THR 106 HB THR 106 8.005 -6.104 -11.312 755 HG1 THR 106 HG1 THR 106 7.712 -4.898 -9.358 756 1HG2 THR 106 1HG2 THR 106 6.428 -7.996 -10.823 757 2HG2 THR 106 2HG2 THR 106 6.670 -7.725 -9.080 758 3HG2 THR 106 3HG2 THR 106 5.877 -6.479 -10.073 759 H GLY 107 HN GLY 107 7.788 -9.471 -9.075 760 1HA GLY 107 1HA GLY 107 9.438 -10.464 -7.172 761 2HA GLY 107 2HA GLY 107 8.841 -8.992 -6.433 762 H ALA 108 HN ALA 108 8.282 -12.266 -6.667 763 HA ALA 108 HA ALA 108 5.600 -11.944 -5.651 764 1HB ALA 108 1HB ALA 108 6.213 -12.961 -8.372 765 2HB ALA 108 2HB ALA 108 5.124 -13.985 -7.407 766 3HB ALA 108 3HB ALA 108 4.704 -12.283 -7.716 767 HA PRO 109 HA PRO 109 6.819 -15.434 -3.406 768 1HB PRO 109 2HB PRO 109 4.497 -16.812 -2.983 769 2HB PRO 109 3HB PRO 109 4.941 -15.381 -2.074 770 1HG PRO 109 2HG PRO 109 2.940 -15.658 -4.232 771 2HG PRO 109 3HG PRO 109 3.102 -14.382 -3.041 772 1HD PRO 109 2HD PRO 109 3.870 -14.261 -5.802 773 2HD PRO 109 3HD PRO 109 4.137 -13.029 -4.585 774 H VAL 110 HN VAL 110 6.747 -17.935 -3.151 775 HA VAL 110 HA VAL 110 6.614 -19.040 -5.863 776 HB VAL 110 HB VAL 110 8.935 -18.446 -5.316 777 1HG1 VAL 110 1HG1 VAL 110 9.523 -18.588 -3.152 778 2HG1 VAL 110 2HG1 VAL 110 8.258 -19.786 -2.789 779 3HG1 VAL 110 3HG1 VAL 110 9.809 -20.313 -3.486 780 1HG2 VAL 110 1HG2 VAL 110 9.762 -20.296 -6.336 781 2HG2 VAL 110 2HG2 VAL 110 9.021 -21.410 -5.162 782 3HG2 VAL 110 3HG2 VAL 110 8.039 -20.721 -6.477 783 H ILE 111 HN ILE 111 5.947 -21.227 -5.975 784 HA ILE 111 HA ILE 111 4.165 -22.040 -4.030 785 HB ILE 111 HB ILE 111 5.599 -23.563 -6.203 786 1HG1 ILE 111 2HG1 ILE 111 2.740 -22.577 -6.129 787 2HG1 ILE 111 3HG1 ILE 111 4.055 -21.616 -6.774 788 1HG2 ILE 111 1HG2 ILE 111 4.905 -25.427 -5.187 789 2HG2 ILE 111 2HG2 ILE 111 3.856 -24.535 -4.059 790 3HG2 ILE 111 3HG2 ILE 111 3.269 -24.939 -5.690 791 1HD1 ILE 111 1HD1 ILE 111 4.402 -23.037 -8.596 792 2HD1 ILE 111 2HD1 ILE 111 3.769 -24.462 -7.736 793 3HD1 ILE 111 3HD1 ILE 111 2.648 -23.228 -8.359 Start of MODEL 18 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 2.059 -1.035 -1.588 3 1HB ASP 8 2HB ASP 8 0.399 1.128 -1.966 4 2HB ASP 8 3HB ASP 8 1.954 1.873 -2.281 5 HA PRO 9 HA PRO 9 5.457 2.225 -0.730 6 1HB PRO 9 2HB PRO 9 5.116 4.008 1.312 7 2HB PRO 9 3HB PRO 9 4.749 4.384 -0.359 8 1HG PRO 9 2HG PRO 9 2.887 3.795 1.860 9 2HG PRO 9 3HG PRO 9 2.555 4.574 0.326 10 1HD PRO 9 2HD PRO 9 1.920 1.873 1.051 11 2HD PRO 9 3HD PRO 9 1.693 2.617 -0.519 12 H ALA 10 HN ALA 10 7.397 2.086 0.486 13 HA ALA 10 HA ALA 10 6.994 0.336 2.817 14 1HB ALA 10 1HB ALA 10 8.251 -0.295 0.440 15 2HB ALA 10 2HB ALA 10 9.611 0.239 1.456 16 3HB ALA 10 3HB ALA 10 8.558 -1.087 2.004 17 H VAL 11 HN VAL 11 7.811 3.430 1.761 18 HA VAL 11 HA VAL 11 9.967 3.825 3.647 19 HB VAL 11 HB VAL 11 8.489 5.793 1.891 20 1HG1 VAL 11 1HG1 VAL 11 9.650 6.964 3.621 21 2HG1 VAL 11 2HG1 VAL 11 11.101 5.953 3.422 22 3HG1 VAL 11 3HG1 VAL 11 10.635 7.102 2.145 23 1HG2 VAL 11 1HG2 VAL 11 11.186 5.015 1.055 24 2HG2 VAL 11 2HG2 VAL 11 10.033 3.659 1.027 25 3HG2 VAL 11 3HG2 VAL 11 9.684 5.143 0.108 26 H ASP 12 HN ASP 12 6.456 4.331 3.330 27 HA ASP 12 HA ASP 12 6.132 6.186 5.319 28 1HB ASP 12 2HB ASP 12 4.497 4.499 3.706 29 2HB ASP 12 3HB ASP 12 4.007 4.178 5.357 30 H ARG 13 HN ARG 13 6.590 2.630 5.373 31 HA ARG 13 HA ARG 13 5.733 2.113 7.915 32 1HB ARG 13 2HB ARG 13 7.537 0.830 5.926 33 2HB ARG 13 3HB ARG 13 7.888 0.373 7.581 34 1HG ARG 13 2HG ARG 13 6.131 -1.055 7.545 35 2HG ARG 13 3HG ARG 13 5.044 0.306 7.346 36 1HD ARG 13 2HD ARG 13 5.409 0.211 4.855 37 2HD ARG 13 3HD ARG 13 6.450 -1.182 5.074 38 HE ARG 13 HE ARG 13 3.524 -1.139 5.259 39 1HH1 ARG 13 2HH2 ARG 13 6.448 -2.874 6.169 40 2HH1 ARG 13 1HH2 ARG 13 5.634 -4.386 6.393 41 1HH2 ARG 13 2HH1 ARG 13 2.450 -3.134 5.554 42 2HH2 ARG 13 1HH1 ARG 13 3.345 -4.536 6.041 43 H SER 14 HN SER 14 8.881 3.353 6.691 44 HA SER 14 HA SER 14 10.266 3.076 9.082 45 1HB SER 14 2HB SER 14 10.703 4.204 6.453 46 2HB SER 14 3HB SER 14 11.263 5.355 7.651 47 HG SER 14 HG SER 14 12.142 2.661 7.185 48 H LEU 15 HN LEU 15 7.992 5.511 7.834 49 HA LEU 15 HA LEU 15 8.677 7.539 9.685 50 1HB LEU 15 2HB LEU 15 6.552 7.025 7.682 51 2HB LEU 15 3HB LEU 15 6.157 8.145 8.970 52 HG LEU 15 HG LEU 15 8.765 8.766 7.871 53 1HD1 LEU 15 1HD1 LEU 15 8.398 9.092 5.634 54 2HD1 LEU 15 2HD1 LEU 15 7.456 7.606 5.900 55 3HD1 LEU 15 3HD1 LEU 15 6.630 9.180 5.817 56 1HD2 LEU 15 1HD2 LEU 15 6.201 10.128 8.502 57 2HD2 LEU 15 2HD2 LEU 15 7.874 10.552 8.940 58 3HD2 LEU 15 3HD2 LEU 15 7.262 10.913 7.307 59 H ARG 16 HN ARG 16 7.055 4.500 9.954 60 HA ARG 16 HA ARG 16 5.445 5.369 12.154 61 1HB ARG 16 2HB ARG 16 5.952 2.597 10.960 62 2HB ARG 16 3HB ARG 16 4.815 2.906 12.257 63 1HG ARG 16 2HG ARG 16 4.069 4.814 10.370 64 2HG ARG 16 3HG ARG 16 4.566 3.475 9.354 65 1HD ARG 16 2HD ARG 16 2.572 3.250 11.662 66 2HD ARG 16 3HD ARG 16 2.125 3.386 9.973 67 HE ARG 16 HE ARG 16 3.170 1.007 11.312 68 1HH1 ARG 16 2HH2 ARG 16 2.831 2.629 8.208 69 2HH1 ARG 16 1HH2 ARG 16 2.960 1.168 7.286 70 1HH2 ARG 16 2HH1 ARG 16 3.341 -0.921 10.097 71 2HH2 ARG 16 1HH1 ARG 16 3.253 -0.865 8.368 72 H SER 17 HN SER 17 7.957 2.767 11.657 73 HA SER 17 HA SER 17 8.414 2.001 14.125 74 1HB SER 17 2HB SER 17 10.619 2.730 12.144 75 2HB SER 17 3HB SER 17 10.795 1.624 13.492 76 HG SER 17 HG SER 17 9.221 1.302 11.101 77 H VAL 18 HN VAL 18 8.755 3.025 16.060 78 HA VAL 18 HA VAL 18 10.118 5.626 15.954 79 HB VAL 18 HB VAL 18 8.912 5.786 18.277 80 1HG1 VAL 18 1HG1 VAL 18 7.080 6.960 17.231 81 2HG1 VAL 18 2HG1 VAL 18 8.553 7.226 16.266 82 3HG1 VAL 18 3HG1 VAL 18 7.320 6.070 15.708 83 1HG2 VAL 18 1HG2 VAL 18 6.733 4.662 18.321 84 2HG2 VAL 18 2HG2 VAL 18 7.128 3.816 16.806 85 3HG2 VAL 18 3HG2 VAL 18 8.062 3.478 18.283 86 H PHE 19 HN PHE 19 12.086 5.771 16.909 87 HA PHE 19 HA PHE 19 13.133 3.424 18.172 88 1HB PHE 19 2HB PHE 19 14.566 4.752 16.706 89 2HB PHE 19 3HB PHE 19 14.069 6.252 17.463 90 HD1 PHE 19 HD1 PHE 19 16.492 3.634 17.435 91 HD2 PHE 19 HD2 PHE 19 14.806 6.667 19.878 92 HE1 PHE 19 HE1 PHE 19 18.504 3.545 18.934 93 HE2 PHE 19 HE2 PHE 19 16.818 6.579 21.376 94 HZ PHE 19 HZ PHE 19 18.643 5.019 20.886 95 H VAL 20 HN VAL 20 13.328 3.011 20.336 96 HA VAL 20 HA VAL 20 12.669 5.242 22.134 97 HB VAL 20 HB VAL 20 12.229 2.297 22.635 98 1HG1 VAL 20 1HG1 VAL 20 12.427 3.888 24.591 99 2HG1 VAL 20 2HG1 VAL 20 10.958 4.693 23.988 100 3HG1 VAL 20 3HG1 VAL 20 10.895 2.987 24.491 101 1HG2 VAL 20 1HG2 VAL 20 10.389 2.315 21.378 102 2HG2 VAL 20 2HG2 VAL 20 9.770 3.736 22.254 103 3HG2 VAL 20 3HG2 VAL 20 10.805 3.954 20.823 104 H GLY 21 HN GLY 21 14.130 5.751 23.724 105 1HA GLY 21 1HA GLY 21 16.368 3.869 24.138 106 2HA GLY 21 2HA GLY 21 16.658 5.563 23.798 107 H ASN 22 HN ASN 22 17.781 5.042 26.062 108 HA ASN 22 HA ASN 22 17.887 5.512 28.175 109 1HB ASN 22 2HB ASN 22 16.282 7.505 27.225 110 2HB ASN 22 3HB ASN 22 15.150 6.767 28.341 111 1HD2 ASN 22 1HD2 ASN 22 15.560 9.104 29.106 112 2HD2 ASN 22 2HD2 ASN 22 16.732 9.305 30.365 113 H ILE 23 HN ILE 23 16.354 3.097 27.085 114 HA ILE 23 HA ILE 23 14.428 2.635 29.223 115 HB ILE 23 HB ILE 23 15.020 0.762 26.956 116 1HG1 ILE 23 2HG1 ILE 23 13.163 3.154 26.791 117 2HG1 ILE 23 3HG1 ILE 23 14.730 3.052 26.013 118 1HG2 ILE 23 1HG2 ILE 23 13.555 -0.288 28.375 119 2HG2 ILE 23 2HG2 ILE 23 12.787 1.232 28.894 120 3HG2 ILE 23 3HG2 ILE 23 12.419 0.551 27.291 121 1HD1 ILE 23 1HD1 ILE 23 13.640 0.697 25.149 122 2HD1 ILE 23 2HD1 ILE 23 12.170 1.687 25.315 123 3HD1 ILE 23 3HD1 ILE 23 13.495 2.231 24.258 124 HA PRO 24 HA PRO 24 17.645 0.489 31.271 125 1HB PRO 24 2HB PRO 24 16.351 0.166 33.657 126 2HB PRO 24 3HB PRO 24 17.273 1.601 33.253 127 1HG PRO 24 2HG PRO 24 14.339 1.245 33.340 128 2HG PRO 24 3HG PRO 24 15.266 2.733 33.361 129 1HD PRO 24 2HD PRO 24 13.838 1.631 31.130 130 2HD PRO 24 3HD PRO 24 14.859 3.055 31.121 131 H TYR 25 HN TYR 25 17.667 -1.576 32.851 132 HA TYR 25 HA TYR 25 16.614 -3.612 31.137 133 1HB TYR 25 2HB TYR 25 18.126 -3.374 33.796 134 2HB TYR 25 3HB TYR 25 17.610 -4.949 33.227 135 HD1 TYR 25 HD1 TYR 25 19.431 -6.148 32.442 136 HD2 TYR 25 HD2 TYR 25 19.141 -1.988 31.489 137 HE1 TYR 25 HE1 TYR 25 21.535 -6.319 31.024 138 HE2 TYR 25 HE2 TYR 25 21.245 -2.172 30.074 139 HH TYR 25 HH TYR 25 22.734 -3.497 29.233 140 H GLU 26 HN GLU 26 15.239 -1.699 33.576 141 HA GLU 26 HA GLU 26 13.636 -3.851 34.629 142 1HB GLU 26 2HB GLU 26 14.394 -1.145 35.480 143 2HB GLU 26 3HB GLU 26 12.671 -1.412 35.658 144 1HG GLU 26 2HG GLU 26 13.662 -3.795 36.639 145 2HG GLU 26 3HG GLU 26 14.948 -2.696 37.096 146 H ALA 27 HN ALA 27 13.633 -1.761 31.953 147 HA ALA 27 HA ALA 27 10.696 -1.837 31.811 148 1HB ALA 27 1HB ALA 27 10.939 0.085 30.254 149 2HB ALA 27 2HB ALA 27 11.613 0.438 31.863 150 3HB ALA 27 3HB ALA 27 12.700 0.051 30.508 151 H THR 28 HN THR 28 10.389 -3.864 30.869 152 HA THR 28 HA THR 28 11.985 -4.519 28.519 153 HB THR 28 HB THR 28 10.582 -6.701 28.819 154 HG1 THR 28 HG1 THR 28 9.041 -6.419 30.379 155 1HG2 THR 28 1HG2 THR 28 12.886 -5.774 30.219 156 2HG2 THR 28 2HG2 THR 28 11.809 -6.451 31.464 157 3HG2 THR 28 3HG2 THR 28 12.326 -7.458 30.090 158 H GLU 29 HN GLU 29 10.607 -5.695 26.713 159 HA GLU 29 HA GLU 29 9.196 -3.684 25.481 160 1HB GLU 29 2HB GLU 29 9.628 -6.613 25.011 161 2HB GLU 29 3HB GLU 29 8.305 -5.868 24.136 162 1HG GLU 29 2HG GLU 29 9.916 -4.070 23.343 163 2HG GLU 29 3HG GLU 29 11.219 -4.952 24.117 164 H GLU 30 HN GLU 30 8.171 -6.208 27.748 165 HA GLU 30 HA GLU 30 5.480 -6.234 27.129 166 1HB GLU 30 2HB GLU 30 7.184 -7.427 29.031 167 2HB GLU 30 3HB GLU 30 6.012 -6.552 29.997 168 1HG GLU 30 2HG GLU 30 4.973 -8.653 29.658 169 2HG GLU 30 3HG GLU 30 4.199 -7.626 28.467 170 H GLN 31 HN GLN 31 7.477 -3.971 29.023 171 HA GLN 31 HA GLN 31 5.119 -2.640 29.997 172 1HB GLN 31 2HB GLN 31 8.099 -2.202 30.424 173 2HB GLN 31 3HB GLN 31 6.897 -1.091 31.048 174 1HG GLN 31 2HG GLN 31 6.068 -3.776 31.727 175 2HG GLN 31 3HG GLN 31 7.754 -3.603 32.170 176 1HE2 GLN 31 1HE2 GLN 31 8.320 -2.458 33.901 177 2HE2 GLN 31 2HE2 GLN 31 7.247 -1.557 34.920 178 H LEU 32 HN LEU 32 7.913 -2.065 27.779 179 HA LEU 32 HA LEU 32 7.306 0.557 27.119 180 1HB LEU 32 2HB LEU 32 8.691 -1.648 25.597 181 2HB LEU 32 3HB LEU 32 8.583 -0.001 25.008 182 HG LEU 32 HG LEU 32 10.498 0.387 26.066 183 1HD1 LEU 32 1HD1 LEU 32 8.997 1.477 27.653 184 2HD1 LEU 32 2HD1 LEU 32 8.892 -0.024 28.604 185 3HD1 LEU 32 3HD1 LEU 32 10.443 0.839 28.471 186 1HD2 LEU 32 1HD2 LEU 32 10.647 -1.673 28.111 187 2HD2 LEU 32 2HD2 LEU 32 10.272 -2.352 26.509 188 3HD2 LEU 32 3HD2 LEU 32 11.723 -1.346 26.732 189 H LYS 33 HN LYS 33 6.245 -2.555 25.600 190 HA LYS 33 HA LYS 33 4.735 -1.353 23.584 191 1HB LYS 33 2HB LYS 33 5.559 -3.823 23.970 192 2HB LYS 33 3HB LYS 33 4.011 -4.018 24.767 193 1HG LYS 33 2HG LYS 33 2.852 -3.941 22.799 194 2HG LYS 33 3HG LYS 33 3.770 -2.572 22.204 195 1HD LYS 33 2HD LYS 33 5.028 -3.923 20.888 196 2HD LYS 33 3HD LYS 33 5.520 -4.878 22.273 197 1HE LYS 33 2HE LYS 33 4.337 -6.578 21.318 198 2HE LYS 33 3HE LYS 33 2.908 -5.748 21.902 199 1HZ LYS 33 1HZ LYS 33 2.449 -4.966 19.860 200 2HZ LYS 33 2HZ LYS 33 4.009 -4.827 19.396 201 3HZ LYS 33 3HZ LYS 33 3.280 -6.288 19.381 202 H ASP 34 HN ASP 34 4.017 -2.194 26.994 203 HA ASP 34 HA ASP 34 1.276 -1.812 26.802 204 1HB ASP 34 2HB ASP 34 3.073 -2.592 28.765 205 2HB ASP 34 3HB ASP 34 2.583 -1.018 29.360 206 H ILE 35 HN ILE 35 4.087 0.349 27.418 207 HA ILE 35 HA ILE 35 2.562 2.593 28.205 208 HB ILE 35 HB ILE 35 5.379 2.302 27.161 209 1HG1 ILE 35 2HG1 ILE 35 4.628 2.902 30.005 210 2HG1 ILE 35 3HG1 ILE 35 4.519 1.253 29.423 211 1HG2 ILE 35 1HG2 ILE 35 4.224 4.603 26.886 212 2HG2 ILE 35 2HG2 ILE 35 4.360 4.705 28.658 213 3HG2 ILE 35 3HG2 ILE 35 5.824 4.526 27.662 214 1HD1 ILE 35 1HD1 ILE 35 6.740 1.100 29.887 215 2HD1 ILE 35 2HD1 ILE 35 6.996 2.091 28.430 216 3HD1 ILE 35 3HD1 ILE 35 6.907 2.866 30.030 217 H PHE 36 HN PHE 36 4.006 1.501 25.073 218 HA PHE 36 HA PHE 36 3.123 3.765 23.651 219 1HB PHE 36 2HB PHE 36 4.370 1.089 23.241 220 2HB PHE 36 3HB PHE 36 3.346 1.546 21.894 221 HD1 PHE 36 HD1 PHE 36 3.824 4.527 21.957 222 HD2 PHE 36 HD2 PHE 36 6.498 1.246 22.261 223 HE1 PHE 36 HE1 PHE 36 5.674 5.949 21.033 224 HE2 PHE 36 HE2 PHE 36 8.348 2.669 21.336 225 HZ PHE 36 HZ PHE 36 7.914 5.003 20.733 226 H SER 37 HN SER 37 1.614 0.695 24.600 227 HA SER 37 HA SER 37 -0.354 0.634 22.656 228 1HB SER 37 2HB SER 37 -1.461 -0.975 24.076 229 2HB SER 37 3HB SER 37 0.265 -1.227 24.251 230 HG SER 37 HG SER 37 -1.354 -0.964 26.238 231 H GLU 38 HN GLU 38 -0.161 2.234 25.882 232 HA GLU 38 HA GLU 38 -2.826 3.054 25.918 233 1HB GLU 38 2HB GLU 38 -2.281 3.975 27.944 234 2HB GLU 38 3HB GLU 38 -0.824 3.022 27.746 235 1HG GLU 38 2HG GLU 38 0.305 5.003 26.683 236 2HG GLU 38 3HG GLU 38 -1.146 5.952 26.938 237 H VAL 39 HN VAL 39 -0.215 3.991 23.927 238 HA VAL 39 HA VAL 39 -1.345 6.665 23.522 239 HB VAL 39 HB VAL 39 1.253 5.570 22.452 240 1HG1 VAL 39 1HG1 VAL 39 1.670 8.201 22.779 241 2HG1 VAL 39 2HG1 VAL 39 0.964 7.514 21.297 242 3HG1 VAL 39 3HG1 VAL 39 -0.093 8.228 22.539 243 1HG2 VAL 39 1HG2 VAL 39 1.938 7.233 24.551 244 2HG2 VAL 39 2HG2 VAL 39 0.558 6.317 25.203 245 3HG2 VAL 39 3HG2 VAL 39 1.982 5.453 24.573 246 H GLY 40 HN GLY 40 -2.016 3.653 22.543 247 1HA GLY 40 1HA GLY 40 -3.591 3.882 20.540 248 2HA GLY 40 2HA GLY 40 -2.127 4.290 19.666 249 HA PRO 41 HA PRO 41 -2.577 -0.265 19.699 250 1HB PRO 41 2HB PRO 41 -2.923 -0.676 17.019 251 2HB PRO 41 3HB PRO 41 -4.255 -0.570 18.152 252 1HG PRO 41 2HG PRO 41 -3.328 1.437 16.189 253 2HG PRO 41 3HG PRO 41 -4.872 1.338 17.012 254 1HD PRO 41 2HD PRO 41 -2.713 3.124 17.624 255 2HD PRO 41 3HD PRO 41 -4.210 2.945 18.517 256 H VAL 42 HN VAL 42 -0.839 -1.564 19.779 257 HA VAL 42 HA VAL 42 1.450 -0.519 18.272 258 HB VAL 42 HB VAL 42 1.176 -2.082 20.831 259 1HG1 VAL 42 1HG1 VAL 42 3.912 -1.627 20.395 260 2HG1 VAL 42 2HG1 VAL 42 3.062 -3.191 20.381 261 3HG1 VAL 42 3HG1 VAL 42 3.298 -2.292 18.863 262 1HG2 VAL 42 1HG2 VAL 42 1.042 0.412 20.883 263 2HG2 VAL 42 2HG2 VAL 42 2.413 -0.251 21.805 264 3HG2 VAL 42 3HG2 VAL 42 2.686 0.476 20.203 265 H VAL 43 HN VAL 43 2.582 -1.847 16.846 266 HA VAL 43 HA VAL 43 1.175 -4.313 16.167 267 HB VAL 43 HB VAL 43 2.938 -2.371 14.730 268 1HG1 VAL 43 1HG1 VAL 43 4.115 -4.095 13.854 269 2HG1 VAL 43 2HG1 VAL 43 2.889 -5.303 14.307 270 3HG1 VAL 43 3HG1 VAL 43 2.663 -4.311 12.847 271 1HG2 VAL 43 1HG2 VAL 43 1.167 -2.207 13.211 272 2HG2 VAL 43 2HG2 VAL 43 0.485 -3.782 13.683 273 3HG2 VAL 43 3HG2 VAL 43 0.348 -2.388 14.781 274 H SER 44 HN SER 44 4.650 -3.382 15.807 275 HA SER 44 HA SER 44 5.263 -5.755 17.387 276 1HB SER 44 2HB SER 44 5.946 -5.149 14.621 277 2HB SER 44 3HB SER 44 7.410 -5.305 15.571 278 HG SER 44 HG SER 44 5.740 -7.271 14.677 279 H PHE 45 HN PHE 45 7.766 -5.648 18.051 280 HA PHE 45 HA PHE 45 8.895 -3.063 18.266 281 1HB PHE 45 2HB PHE 45 6.871 -3.304 19.997 282 2HB PHE 45 3HB PHE 45 7.953 -4.372 20.869 283 HD1 PHE 45 HD1 PHE 45 6.830 -1.873 22.020 284 HD2 PHE 45 HD2 PHE 45 10.411 -2.541 19.842 285 HE1 PHE 45 HE1 PHE 45 7.883 0.110 23.143 286 HE2 PHE 45 HE2 PHE 45 11.464 -0.558 20.965 287 HZ PHE 45 HZ PHE 45 10.187 0.744 22.602 288 H ARG 46 HN ARG 46 11.014 -3.577 18.015 289 HA ARG 46 HA ARG 46 11.994 -5.754 19.663 290 1HB ARG 46 2HB ARG 46 12.381 -5.360 16.673 291 2HB ARG 46 3HB ARG 46 13.594 -6.214 17.605 292 1HG ARG 46 2HG ARG 46 10.856 -7.137 18.220 293 2HG ARG 46 3HG ARG 46 11.255 -7.327 16.524 294 1HD ARG 46 2HD ARG 46 13.153 -8.254 18.722 295 2HD ARG 46 3HD ARG 46 11.871 -9.286 18.120 296 HE ARG 46 HE ARG 46 13.300 -8.265 15.869 297 1HH1 ARG 46 2HH2 ARG 46 13.795 -10.446 18.586 298 2HH1 ARG 46 1HH2 ARG 46 14.968 -11.416 17.758 299 1HH2 ARG 46 2HH1 ARG 46 14.846 -9.545 14.777 300 2HH2 ARG 46 1HH1 ARG 46 15.570 -10.900 15.577 301 H LEU 47 HN LEU 47 13.945 -5.262 20.701 302 HA LEU 47 HA LEU 47 15.143 -2.691 19.953 303 1HB LEU 47 2HB LEU 47 15.619 -4.015 22.586 304 2HB LEU 47 3HB LEU 47 15.659 -2.315 22.161 305 HG LEU 47 HG LEU 47 12.988 -3.281 21.759 306 1HD1 LEU 47 1HD1 LEU 47 12.706 -3.653 24.382 307 2HD1 LEU 47 2HD1 LEU 47 13.012 -4.994 23.253 308 3HD1 LEU 47 3HD1 LEU 47 14.352 -4.306 24.201 309 1HD2 LEU 47 1HD2 LEU 47 12.978 -1.073 22.209 310 2HD2 LEU 47 2HD2 LEU 47 12.813 -1.629 23.892 311 3HD2 LEU 47 3HD2 LEU 47 14.411 -1.165 23.260 312 H VAL 48 HN VAL 48 17.623 -2.721 20.826 313 HA VAL 48 HA VAL 48 18.822 -4.849 19.262 314 HB VAL 48 HB VAL 48 20.902 -3.444 19.752 315 1HG1 VAL 48 1HG1 VAL 48 20.374 -3.006 17.614 316 2HG1 VAL 48 2HG1 VAL 48 18.630 -2.936 17.965 317 3HG1 VAL 48 3HG1 VAL 48 19.650 -1.502 18.234 318 1HG2 VAL 48 1HG2 VAL 48 20.797 -1.508 20.906 319 2HG2 VAL 48 2HG2 VAL 48 19.199 -1.083 20.249 320 3HG2 VAL 48 3HG2 VAL 48 19.326 -2.215 21.616 321 H TYR 49 HN TYR 49 19.605 -6.680 20.161 322 HA TYR 49 HA TYR 49 20.410 -6.534 22.985 323 1HB TYR 49 2HB TYR 49 18.376 -8.116 21.503 324 2HB TYR 49 3HB TYR 49 19.522 -9.171 22.307 325 HD1 TYR 49 HD1 TYR 49 16.914 -6.611 22.814 326 HD2 TYR 49 HD2 TYR 49 19.590 -9.345 24.728 327 HE1 TYR 49 HE1 TYR 49 15.656 -6.321 25.004 328 HE2 TYR 49 HE2 TYR 49 18.323 -9.045 26.912 329 HH TYR 49 HH TYR 49 15.285 -7.480 27.031 330 H ASP 50 HN ASP 50 22.534 -7.009 23.204 331 HA ASP 50 HA ASP 50 23.984 -8.041 21.051 332 1HB ASP 50 2HB ASP 50 24.849 -8.020 23.973 333 2HB ASP 50 3HB ASP 50 25.890 -7.967 22.565 334 H ARG 51 HN ARG 51 23.788 -10.202 20.421 335 HA ARG 51 HA ARG 51 22.875 -12.141 22.235 336 1HB ARG 51 2HB ARG 51 23.961 -12.228 19.391 337 2HB ARG 51 3HB ARG 51 23.573 -13.711 20.242 338 1HG ARG 51 2HG ARG 51 21.241 -12.885 20.621 339 2HG ARG 51 3HG ARG 51 21.628 -11.400 19.774 340 1HD ARG 51 2HD ARG 51 22.397 -13.112 17.841 341 2HD ARG 51 3HD ARG 51 21.283 -14.186 18.663 342 HE ARG 51 HE ARG 51 19.919 -11.732 18.373 343 1HH1 ARG 51 2HH2 ARG 51 21.320 -14.176 16.263 344 2HH1 ARG 51 1HH2 ARG 51 20.212 -13.875 14.967 345 1HH2 ARG 51 2HH1 ARG 51 18.457 -11.335 16.663 346 2HH2 ARG 51 1HH1 ARG 51 18.572 -12.248 15.195 347 H GLU 52 HN GLU 52 26.038 -10.989 21.110 348 HA GLU 52 HA GLU 52 27.470 -13.279 21.886 349 1HB GLU 52 2HB GLU 52 28.118 -11.301 20.275 350 2HB GLU 52 3HB GLU 52 28.671 -10.502 21.733 351 1HG GLU 52 2HG GLU 52 30.448 -11.952 22.031 352 2HG GLU 52 3HG GLU 52 29.562 -13.338 21.426 353 H THR 53 HN THR 53 26.336 -10.332 23.522 354 HA THR 53 HA THR 53 27.723 -11.229 25.963 355 HB THR 53 HB THR 53 27.143 -8.669 26.517 356 HG1 THR 53 HG1 THR 53 27.470 -8.766 23.613 357 1HG2 THR 53 1HG2 THR 53 29.285 -7.961 25.608 358 2HG2 THR 53 2HG2 THR 53 29.490 -9.654 26.117 359 3HG2 THR 53 3HG2 THR 53 29.264 -9.264 24.395 360 H GLY 54 HN GLY 54 24.884 -11.673 24.459 361 1HA GLY 54 1HA GLY 54 22.716 -11.850 25.102 362 2HA GLY 54 2HA GLY 54 23.436 -12.628 26.497 363 H LYS 55 HN LYS 55 24.039 -9.188 25.793 364 HA LYS 55 HA LYS 55 22.295 -8.523 28.063 365 1HB LYS 55 2HB LYS 55 23.892 -7.173 28.978 366 2HB LYS 55 3HB LYS 55 24.924 -8.392 28.256 367 1HG LYS 55 2HG LYS 55 24.992 -6.878 26.151 368 2HG LYS 55 3HG LYS 55 24.258 -5.634 27.143 369 1HD LYS 55 2HD LYS 55 26.585 -6.936 28.441 370 2HD LYS 55 3HD LYS 55 26.994 -6.136 26.936 371 1HE LYS 55 2HE LYS 55 25.706 -4.080 27.830 372 2HE LYS 55 3HE LYS 55 25.660 -4.894 29.381 373 1HZ LYS 55 1HZ LYS 55 27.634 -3.969 29.670 374 2HZ LYS 55 2HZ LYS 55 28.236 -5.102 28.660 375 3HZ LYS 55 3HZ LYS 55 27.848 -3.622 28.089 376 HA PRO 56 HA PRO 56 20.310 -5.877 25.284 377 1HB PRO 56 2HB PRO 56 18.967 -4.253 27.024 378 2HB PRO 56 3HB PRO 56 18.402 -5.850 26.572 379 1HG PRO 56 2HG PRO 56 19.665 -4.977 29.099 380 2HG PRO 56 3HG PRO 56 18.725 -6.422 28.783 381 1HD PRO 56 2HD PRO 56 21.577 -6.252 29.035 382 2HD PRO 56 3HD PRO 56 20.645 -7.673 28.605 383 H LYS 57 HN LYS 57 20.559 -4.024 24.090 384 HA LYS 57 HA LYS 57 22.911 -2.591 24.718 385 1HB LYS 57 2HB LYS 57 21.026 -2.821 22.519 386 2HB LYS 57 3HB LYS 57 21.462 -1.146 22.795 387 1HG LYS 57 2HG LYS 57 23.549 -3.364 22.638 388 2HG LYS 57 3HG LYS 57 22.998 -2.497 21.218 389 1HD LYS 57 2HD LYS 57 24.316 -0.712 21.703 390 2HD LYS 57 3HD LYS 57 23.660 -0.594 23.324 391 1HE LYS 57 2HE LYS 57 25.380 -1.828 24.269 392 2HE LYS 57 3HE LYS 57 25.555 -2.866 22.868 393 1HZ LYS 57 1HZ LYS 57 26.345 -0.593 21.841 394 2HZ LYS 57 2HZ LYS 57 26.762 -0.302 23.393 395 3HZ LYS 57 3HZ LYS 57 27.372 -1.602 22.613 396 H GLY 58 HN GLY 58 19.398 -1.661 24.687 397 1HA GLY 58 1HA GLY 58 18.875 -0.484 26.894 398 2HA GLY 58 2HA GLY 58 20.105 0.651 26.375 399 H TYR 59 HN TYR 59 19.220 0.022 23.429 400 HA TYR 59 HA TYR 59 16.763 1.639 23.496 401 1HB TYR 59 2HB TYR 59 17.779 2.694 21.401 402 2HB TYR 59 3HB TYR 59 18.754 2.982 22.828 403 HD1 TYR 59 HD1 TYR 59 18.610 1.387 19.560 404 HD2 TYR 59 HD2 TYR 59 20.871 1.697 23.179 405 HE1 TYR 59 HE1 TYR 59 20.631 0.379 18.392 406 HE2 TYR 59 HE2 TYR 59 22.885 0.688 21.998 407 HH TYR 59 HH TYR 59 23.728 0.495 19.730 408 H GLY 60 HN GLY 60 15.362 1.388 21.583 409 1HA GLY 60 1HA GLY 60 15.899 -0.853 19.823 410 2HA GLY 60 2HA GLY 60 14.603 -1.109 20.975 411 H PHE 61 HN PHE 61 13.478 -1.272 18.702 412 HA PHE 61 HA PHE 61 12.404 1.395 18.139 413 1HB PHE 61 2HB PHE 61 13.092 -0.882 16.183 414 2HB PHE 61 3HB PHE 61 12.359 0.639 15.715 415 HD1 PHE 61 HD1 PHE 61 13.685 2.550 15.298 416 HD2 PHE 61 HD2 PHE 61 15.442 -0.867 17.100 417 HE1 PHE 61 HE1 PHE 61 15.965 3.545 14.964 418 HE2 PHE 61 HE2 PHE 61 17.721 0.128 16.766 419 HZ PHE 61 HZ PHE 61 17.956 2.323 15.702 420 H CYS 62 HN CYS 62 10.173 1.492 17.881 421 HA CYS 62 HA CYS 62 8.811 -1.091 18.135 422 1HB CYS 62 2HB CYS 62 8.450 0.156 20.144 423 2HB CYS 62 3HB CYS 62 8.088 1.626 19.261 424 HG CYS 62 HG CYS 62 6.382 -1.117 19.753 425 H GLU 63 HN GLU 63 7.506 -1.637 16.409 426 HA GLU 63 HA GLU 63 7.098 0.442 14.429 427 1HB GLU 63 2HB GLU 63 6.232 -1.853 13.215 428 2HB GLU 63 3HB GLU 63 7.886 -1.276 13.153 429 1HG GLU 63 2HG GLU 63 8.495 -2.677 15.094 430 2HG GLU 63 3HG GLU 63 6.828 -3.177 15.298 431 H TYR 64 HN TYR 64 5.115 1.384 14.170 432 HA TYR 64 HA TYR 64 2.894 0.221 15.658 433 1HB TYR 64 2HB TYR 64 3.863 2.858 14.590 434 2HB TYR 64 3HB TYR 64 2.132 2.639 14.428 435 HD1 TYR 64 HD1 TYR 64 4.881 3.249 16.736 436 HD2 TYR 64 HD2 TYR 64 0.714 2.319 16.462 437 HE1 TYR 64 HE1 TYR 64 4.560 3.943 19.161 438 HE2 TYR 64 HE2 TYR 64 0.407 3.015 18.888 439 HH TYR 64 HH TYR 64 2.143 3.069 20.978 440 H GLN 65 HN GLN 65 0.715 1.239 14.255 441 HA GLN 65 HA GLN 65 0.948 -0.246 11.754 442 1HB GLN 65 2HB GLN 65 -0.677 -0.881 13.865 443 2HB GLN 65 3HB GLN 65 -1.756 0.156 12.955 444 1HG GLN 65 2HG GLN 65 -1.437 -1.218 10.925 445 2HG GLN 65 3HG GLN 65 -0.242 -2.205 11.744 446 1HE2 GLN 65 1HE2 GLN 65 -1.088 -4.129 12.010 447 2HE2 GLN 65 2HE2 GLN 65 -2.635 -4.505 12.691 448 H ASP 66 HN ASP 66 0.432 2.810 13.243 449 HA ASP 66 HA ASP 66 -0.532 3.814 10.691 450 1HB ASP 66 2HB ASP 66 -1.382 5.425 13.008 451 2HB ASP 66 3HB ASP 66 -2.316 4.900 11.621 452 H GLN 67 HN GLN 67 0.660 5.642 10.003 453 HA GLN 67 HA GLN 67 3.022 6.235 11.295 454 1HB GLN 67 2HB GLN 67 1.880 6.787 8.825 455 2HB GLN 67 3HB GLN 67 1.955 8.381 9.551 456 1HG GLN 67 2HG GLN 67 4.266 8.429 9.558 457 2HG GLN 67 3HG GLN 67 4.411 6.717 9.903 458 1HE2 GLN 67 1HE2 GLN 67 4.811 9.077 7.626 459 2HE2 GLN 67 2HE2 GLN 67 4.864 8.132 6.175 460 H GLU 68 HN GLU 68 -0.185 7.885 11.307 461 HA GLU 68 HA GLU 68 0.623 10.138 12.677 462 1HB GLU 68 2HB GLU 68 -1.533 10.047 11.566 463 2HB GLU 68 3HB GLU 68 -2.056 8.696 12.552 464 1HG GLU 68 2HG GLU 68 -1.276 10.742 14.385 465 2HG GLU 68 3HG GLU 68 -2.201 11.548 13.134 466 H THR 69 HN THR 69 -0.328 6.868 13.801 467 HA THR 69 HA THR 69 -0.492 7.565 16.546 468 HB THR 69 HB THR 69 -0.107 4.926 15.040 469 HG1 THR 69 HG1 THR 69 -2.389 4.981 15.208 470 1HG2 THR 69 1HG2 THR 69 0.435 5.085 17.668 471 2HG2 THR 69 2HG2 THR 69 -1.338 5.175 17.793 472 3HG2 THR 69 3HG2 THR 69 -0.570 3.761 17.031 473 H ALA 70 HN ALA 70 2.152 6.427 14.406 474 HA ALA 70 HA ALA 70 3.969 5.986 16.523 475 1HB ALA 70 1HB ALA 70 5.544 6.424 14.352 476 2HB ALA 70 2HB ALA 70 4.684 4.894 14.648 477 3HB ALA 70 3HB ALA 70 3.988 6.106 13.547 478 H LEU 71 HN LEU 71 3.117 8.795 14.446 479 HA LEU 71 HA LEU 71 5.253 10.401 15.388 480 1HB LEU 71 2HB LEU 71 2.883 10.692 13.653 481 2HB LEU 71 3HB LEU 71 3.405 12.159 14.457 482 HG LEU 71 HG LEU 71 5.428 10.490 12.994 483 1HD1 LEU 71 1HD1 LEU 71 3.263 12.159 11.757 484 2HD1 LEU 71 2HD1 LEU 71 4.875 12.092 11.005 485 3HD1 LEU 71 3HD1 LEU 71 3.938 10.596 11.238 486 1HD2 LEU 71 1HD2 LEU 71 5.426 13.445 12.864 487 2HD2 LEU 71 2HD2 LEU 71 5.678 12.739 14.478 488 3HD2 LEU 71 3HD2 LEU 71 6.761 12.300 13.135 489 H SER 72 HN SER 72 1.761 10.042 16.247 490 HA SER 72 HA SER 72 1.775 12.088 18.120 491 1HB SER 72 2HB SER 72 0.042 9.605 17.807 492 2HB SER 72 3HB SER 72 -0.274 10.817 19.033 493 HG SER 72 HG SER 72 -1.473 11.109 16.984 494 H ALA 73 HN ALA 73 2.588 8.596 18.284 495 HA ALA 73 HA ALA 73 2.712 8.451 21.097 496 1HB ALA 73 1HB ALA 73 4.201 6.770 19.045 497 2HB ALA 73 2HB ALA 73 3.732 6.302 20.698 498 3HB ALA 73 3HB ALA 73 2.484 6.542 19.452 499 H MET 74 HN MET 74 5.041 9.329 18.508 500 HA MET 74 HA MET 74 7.300 9.286 20.112 501 1HB MET 74 2HB MET 74 6.495 10.132 17.435 502 2HB MET 74 3HB MET 74 7.534 11.364 18.124 503 1HG MET 74 2HG MET 74 9.269 9.650 18.630 504 2HG MET 74 3HG MET 74 8.224 8.387 18.011 505 1HE MET 74 1HE MET 74 9.271 11.981 17.074 506 2HE MET 74 2HE MET 74 9.380 11.917 15.299 507 3HE MET 74 3HE MET 74 7.799 11.755 16.100 508 H ARG 75 HN ARG 75 5.009 11.963 19.267 509 HA ARG 75 HA ARG 75 6.460 13.809 20.840 510 1HB ARG 75 2HB ARG 75 4.382 13.902 18.885 511 2HB ARG 75 3HB ARG 75 3.687 14.600 20.335 512 1HG ARG 75 2HG ARG 75 5.716 16.108 20.524 513 2HG ARG 75 3HG ARG 75 6.296 15.463 19.001 514 1HD ARG 75 2HD ARG 75 5.027 16.988 17.899 515 2HD ARG 75 3HD ARG 75 3.584 16.218 18.530 516 HE ARG 75 HE ARG 75 4.782 17.954 20.521 517 1HH1 ARG 75 2HH2 ARG 75 2.800 17.979 17.614 518 2HH1 ARG 75 1HH2 ARG 75 2.015 19.472 18.008 519 1HH2 ARG 75 2HH1 ARG 75 3.746 19.923 21.042 520 2HH2 ARG 75 1HH1 ARG 75 2.557 20.585 19.971 521 H ASN 76 HN ASN 76 3.849 11.485 21.332 522 HA ASN 76 HA ASN 76 2.689 12.700 23.555 523 1HB ASN 76 2HB ASN 76 2.686 9.973 22.289 524 2HB ASN 76 3HB ASN 76 2.199 10.030 23.971 525 1HD2 ASN 76 1HD2 ASN 76 0.866 9.699 21.211 526 2HD2 ASN 76 2HD2 ASN 76 -0.539 10.709 21.282 527 H LEU 77 HN LEU 77 5.449 10.470 23.012 528 HA LEU 77 HA LEU 77 5.901 10.358 25.905 529 1HB LEU 77 2HB LEU 77 6.706 8.586 23.615 530 2HB LEU 77 3HB LEU 77 7.559 8.534 25.145 531 HG LEU 77 HG LEU 77 5.376 8.033 26.280 532 1HD1 LEU 77 1HD1 LEU 77 4.342 8.635 23.666 533 2HD1 LEU 77 2HD1 LEU 77 3.900 6.972 24.121 534 3HD1 LEU 77 3HD1 LEU 77 3.470 8.331 25.188 535 1HD2 LEU 77 1HD2 LEU 77 5.957 5.891 26.169 536 2HD2 LEU 77 2HD2 LEU 77 5.501 5.782 24.452 537 3HD2 LEU 77 3HD2 LEU 77 7.125 6.351 24.907 538 H ASN 78 HN ASN 78 8.010 10.316 22.948 539 HA ASN 78 HA ASN 78 10.021 11.171 22.695 540 1HB ASN 78 2HB ASN 78 9.890 13.460 22.167 541 2HB ASN 78 3HB ASN 78 8.187 13.053 22.232 542 1HD2 ASN 78 1HD2 ASN 78 10.594 15.071 23.349 543 2HD2 ASN 78 2HD2 ASN 78 9.792 15.806 24.697 544 H GLY 79 HN GLY 79 9.587 10.136 25.429 545 1HA GLY 79 1HA GLY 79 11.451 10.212 26.994 546 2HA GLY 79 2HA GLY 79 11.353 11.961 26.948 547 H ARG 80 HN ARG 80 8.902 9.289 27.297 548 HA ARG 80 HA ARG 80 7.534 10.862 29.230 549 1HB ARG 80 2HB ARG 80 6.239 9.488 27.656 550 2HB ARG 80 3HB ARG 80 7.084 8.035 28.154 551 1HG ARG 80 2HG ARG 80 5.419 7.709 29.664 552 2HG ARG 80 3HG ARG 80 6.092 9.047 30.574 553 1HD ARG 80 2HD ARG 80 4.417 10.496 29.943 554 2HD ARG 80 3HD ARG 80 4.370 9.892 28.299 555 HE ARG 80 HE ARG 80 3.310 8.027 30.320 556 1HH1 ARG 80 2HH2 ARG 80 2.569 10.586 28.021 557 2HH1 ARG 80 1HH2 ARG 80 0.892 10.168 27.902 558 1HH2 ARG 80 2HH1 ARG 80 1.098 7.476 30.164 559 2HH2 ARG 80 1HH1 ARG 80 0.050 8.387 29.129 560 H GLU 81 HN GLU 81 7.925 10.810 31.425 561 HA GLU 81 HA GLU 81 9.950 9.327 32.502 562 1HB GLU 81 2HB GLU 81 7.534 10.360 34.043 563 2HB GLU 81 3HB GLU 81 9.152 10.108 34.665 564 1HG GLU 81 2HG GLU 81 9.902 11.809 32.808 565 2HG GLU 81 3HG GLU 81 8.205 12.232 32.710 566 H PHE 82 HN PHE 82 10.112 7.341 33.589 567 HA PHE 82 HA PHE 82 8.035 5.880 34.616 568 1HB PHE 82 2HB PHE 82 7.047 5.573 32.448 569 2HB PHE 82 3HB PHE 82 8.603 5.570 31.642 570 HD1 PHE 82 HD1 PHE 82 6.837 3.526 34.231 571 HD2 PHE 82 HD2 PHE 82 9.271 3.560 30.755 572 HE1 PHE 82 HE1 PHE 82 6.811 1.016 34.188 573 HE2 PHE 82 HE2 PHE 82 9.245 1.050 30.712 574 HZ PHE 82 HZ PHE 82 8.015 -0.191 32.429 575 H SER 83 HN SER 83 11.057 5.732 32.652 576 HA SER 83 HA SER 83 11.875 3.395 34.109 577 1HB SER 83 2HB SER 83 14.057 4.138 32.595 578 2HB SER 83 3HB SER 83 12.785 3.062 32.053 579 HG SER 83 HG SER 83 13.426 5.145 30.761 580 H GLY 84 HN GLY 84 11.488 6.222 35.318 581 1HA GLY 84 1HA GLY 84 12.478 7.137 37.167 582 2HA GLY 84 2HA GLY 84 13.925 6.189 36.888 583 H ARG 85 HN ARG 85 12.962 7.598 33.938 584 HA ARG 85 HA ARG 85 14.324 10.075 34.474 585 1HB ARG 85 2HB ARG 85 15.724 7.903 33.355 586 2HB ARG 85 3HB ARG 85 15.277 8.856 31.954 587 1HG ARG 85 2HG ARG 85 16.572 10.681 32.595 588 2HG ARG 85 3HG ARG 85 16.360 10.374 34.307 589 1HD ARG 85 2HD ARG 85 18.227 9.049 34.424 590 2HD ARG 85 3HD ARG 85 17.831 8.199 32.944 591 HE ARG 85 HE ARG 85 18.634 10.871 32.279 592 1HH1 ARG 85 2HH2 ARG 85 19.990 7.851 33.474 593 2HH1 ARG 85 1HH2 ARG 85 21.570 8.159 32.834 594 1HH2 ARG 85 2HH1 ARG 85 20.718 11.277 31.435 595 2HH2 ARG 85 1HH1 ARG 85 21.986 10.121 31.666 596 H ALA 86 HN ALA 86 13.499 8.165 31.486 597 HA ALA 86 HA ALA 86 11.075 9.195 30.889 598 1HB ALA 86 1HB ALA 86 13.192 11.222 30.593 599 2HB ALA 86 2HB ALA 86 12.230 10.984 29.115 600 3HB ALA 86 3HB ALA 86 11.423 11.417 30.641 601 H LEU 87 HN LEU 87 10.350 8.132 29.070 602 HA LEU 87 HA LEU 87 12.296 6.483 27.732 603 1HB LEU 87 2HB LEU 87 9.433 6.481 28.223 604 2HB LEU 87 3HB LEU 87 9.800 6.117 26.549 605 HG LEU 87 HG LEU 87 10.894 4.145 27.056 606 1HD1 LEU 87 1HD1 LEU 87 11.758 5.582 29.441 607 2HD1 LEU 87 2HD1 LEU 87 11.332 3.887 29.780 608 3HD1 LEU 87 3HD1 LEU 87 12.551 4.267 28.540 609 1HD2 LEU 87 1HD2 LEU 87 8.621 3.732 27.516 610 2HD2 LEU 87 2HD2 LEU 87 9.522 2.984 28.856 611 3HD2 LEU 87 3HD2 LEU 87 8.705 4.547 29.096 612 H ARG 88 HN ARG 88 13.596 7.808 26.452 613 HA ARG 88 HA ARG 88 12.631 9.912 24.970 614 1HB ARG 88 2HB ARG 88 15.104 8.182 24.891 615 2HB ARG 88 3HB ARG 88 14.816 9.238 23.523 616 1HG ARG 88 2HG ARG 88 14.534 10.422 26.281 617 2HG ARG 88 3HG ARG 88 16.154 10.069 25.713 618 1HD ARG 88 2HD ARG 88 15.768 11.444 23.676 619 2HD ARG 88 3HD ARG 88 14.117 11.752 24.174 620 HE ARG 88 HE ARG 88 14.892 13.336 25.721 621 1HH1 ARG 88 2HH2 ARG 88 17.585 11.343 24.644 622 2HH1 ARG 88 1HH2 ARG 88 18.785 12.319 25.422 623 1HH2 ARG 88 2HH1 ARG 88 16.475 14.624 26.748 624 2HH2 ARG 88 1HH1 ARG 88 18.149 14.198 26.627 625 H VAL 89 HN VAL 89 11.562 10.042 22.997 626 HA VAL 89 HA VAL 89 11.470 7.580 21.398 627 HB VAL 89 HB VAL 89 9.170 9.503 21.665 628 1HG1 VAL 89 1HG1 VAL 89 9.127 8.003 19.740 629 2HG1 VAL 89 2HG1 VAL 89 9.362 6.596 20.805 630 3HG1 VAL 89 3HG1 VAL 89 7.862 7.549 20.906 631 1HG2 VAL 89 1HG2 VAL 89 10.041 7.369 23.560 632 2HG2 VAL 89 2HG2 VAL 89 9.157 8.884 23.863 633 3HG2 VAL 89 3HG2 VAL 89 8.304 7.476 23.185 634 H ASP 90 HN ASP 90 12.192 7.857 19.348 635 HA ASP 90 HA ASP 90 11.932 10.519 18.229 636 1HB ASP 90 2HB ASP 90 14.383 9.381 17.260 637 2HB ASP 90 3HB ASP 90 14.171 10.857 18.180 638 H ASN 91 HN ASN 91 12.029 10.453 15.791 639 HA ASN 91 HA ASN 91 10.643 8.303 14.773 640 1HB ASN 91 2HB ASN 91 11.446 10.851 13.882 641 2HB ASN 91 3HB ASN 91 12.266 9.771 12.772 642 1HD2 ASN 91 1HD2 ASN 91 11.151 8.608 11.296 643 2HD2 ASN 91 2HD2 ASN 91 9.448 8.744 11.009 644 H ALA 92 HN ALA 92 11.379 6.282 14.081 645 HA ALA 92 HA ALA 92 14.069 5.561 14.352 646 1HB ALA 92 1HB ALA 92 12.031 4.075 14.511 647 2HB ALA 92 2HB ALA 92 11.904 4.161 12.737 648 3HB ALA 92 3HB ALA 92 13.338 3.426 13.493 649 H ALA 93 HN ALA 93 12.433 7.355 11.916 650 HA ALA 93 HA ALA 93 14.256 6.507 9.817 651 1HB ALA 93 1HB ALA 93 12.761 7.499 8.355 652 2HB ALA 93 2HB ALA 93 11.661 7.089 9.693 653 3HB ALA 93 3HB ALA 93 12.279 8.750 9.526 654 H SER 94 HN SER 94 15.136 7.902 12.372 655 HA SER 94 HA SER 94 15.792 10.532 11.514 656 1HB SER 94 2HB SER 94 15.977 8.931 13.975 657 2HB SER 94 3HB SER 94 17.413 9.904 13.724 658 HG SER 94 HG SER 94 16.034 11.267 14.804 659 H GLU 95 HN GLU 95 18.001 11.333 11.148 660 HA GLU 95 HA GLU 95 19.469 9.628 9.522 661 1HB GLU 95 2HB GLU 95 19.721 12.398 10.575 662 2HB GLU 95 3HB GLU 95 21.244 11.644 10.147 663 1HG GLU 95 2HG GLU 95 20.314 11.073 7.886 664 2HG GLU 95 3HG GLU 95 18.806 11.855 8.316 665 H LYS 96 HN LYS 96 19.721 10.524 12.979 666 HA LYS 96 HA LYS 96 22.250 9.184 13.268 667 1HB LYS 96 2HB LYS 96 20.370 10.407 15.310 668 2HB LYS 96 3HB LYS 96 21.969 9.780 15.658 669 1HG LYS 96 2HG LYS 96 21.798 11.752 13.406 670 2HG LYS 96 3HG LYS 96 21.484 12.390 15.008 671 1HD LYS 96 2HD LYS 96 23.751 10.734 15.350 672 2HD LYS 96 3HD LYS 96 24.029 11.534 13.816 673 1HE LYS 96 2HE LYS 96 23.745 13.744 14.837 674 2HE LYS 96 3HE LYS 96 23.217 13.034 16.349 675 1HZ LYS 96 1HZ LYS 96 25.785 12.171 15.358 676 2HZ LYS 96 2HZ LYS 96 25.698 13.710 15.897 677 3HZ LYS 96 3HZ LYS 96 25.308 12.474 16.890 678 H ASN 97 HN ASN 97 18.777 8.515 13.712 679 HA ASN 97 HA ASN 97 19.185 6.201 15.240 680 1HB ASN 97 2HB ASN 97 16.852 7.190 13.528 681 2HB ASN 97 3HB ASN 97 16.760 5.706 14.456 682 1HD2 ASN 97 1HD2 ASN 97 15.078 6.562 15.685 683 2HD2 ASN 97 2HD2 ASN 97 15.336 7.708 16.958 684 H LYS 98 HN LYS 98 19.489 7.037 11.860 685 HA LYS 98 HA LYS 98 18.824 4.569 10.698 686 1HB LYS 98 2HB LYS 98 20.053 7.113 9.883 687 2HB LYS 98 3HB LYS 98 20.670 5.728 9.005 688 1HG LYS 98 2HG LYS 98 17.695 5.838 9.399 689 2HG LYS 98 3HG LYS 98 18.380 7.028 8.310 690 1HD LYS 98 2HD LYS 98 17.977 5.248 6.839 691 2HD LYS 98 3HD LYS 98 19.658 4.973 7.252 692 1HE LYS 98 2HE LYS 98 19.081 3.246 8.857 693 2HE LYS 98 3HE LYS 98 17.381 3.667 8.804 694 1HZ LYS 98 1HZ LYS 98 17.146 2.307 7.110 695 2HZ LYS 98 2HZ LYS 98 18.253 3.111 6.218 696 3HZ LYS 98 3HZ LYS 98 18.721 1.883 7.188 697 H GLU 99 HN GLU 99 21.791 5.884 12.208 698 HA GLU 99 HA GLU 99 23.485 3.884 11.285 699 1HB GLU 99 2HB GLU 99 23.550 6.052 13.292 700 2HB GLU 99 3HB GLU 99 24.541 4.679 13.742 701 1HG GLU 99 2HG GLU 99 24.912 5.249 10.911 702 2HG GLU 99 3HG GLU 99 25.151 6.719 11.835 703 H GLU 100 HN GLU 100 21.287 4.125 14.106 704 HA GLU 100 HA GLU 100 22.298 1.814 15.352 705 1HB GLU 100 2HB GLU 100 19.676 3.335 15.670 706 2HB GLU 100 3HB GLU 100 20.133 1.987 16.693 707 1HG GLU 100 2HG GLU 100 21.887 4.457 16.322 708 2HG GLU 100 3HG GLU 100 20.704 4.313 17.606 709 H LEU 101 HN LEU 101 19.561 2.520 13.114 710 HA LEU 101 HA LEU 101 18.421 -0.035 13.229 711 1HB LEU 101 2HB LEU 101 18.276 2.317 11.399 712 2HB LEU 101 3HB LEU 101 17.624 0.788 10.844 713 HG LEU 101 HG LEU 101 16.725 1.486 13.546 714 1HD1 LEU 101 1HD1 LEU 101 16.390 3.457 11.314 715 2HD1 LEU 101 2HD1 LEU 101 15.063 3.210 12.475 716 3HD1 LEU 101 3HD1 LEU 101 16.665 3.730 13.051 717 1HD2 LEU 101 1HD2 LEU 101 15.683 0.296 11.056 718 2HD2 LEU 101 2HD2 LEU 101 15.377 -0.129 12.757 719 3HD2 LEU 101 3HD2 LEU 101 14.498 1.224 12.005 720 H LYS 102 HN LYS 102 21.179 1.338 11.449 721 HA LYS 102 HA LYS 102 21.442 -0.501 9.437 722 1HB LYS 102 2HB LYS 102 23.513 0.404 9.116 723 2HB LYS 102 3HB LYS 102 22.806 1.652 10.122 724 1HG LYS 102 2HG LYS 102 24.697 1.351 11.388 725 2HG LYS 102 3HG LYS 102 23.791 0.018 12.076 726 1HD LYS 102 2HD LYS 102 24.931 -1.052 9.717 727 2HD LYS 102 3HD LYS 102 26.197 -0.047 10.395 728 1HE LYS 102 2HE LYS 102 24.770 -1.707 12.411 729 2HE LYS 102 3HE LYS 102 25.624 -2.642 11.199 730 1HZ LYS 102 1HZ LYS 102 27.619 -1.699 11.797 731 2HZ LYS 102 2HZ LYS 102 26.946 -0.400 12.521 732 3HZ LYS 102 3HZ LYS 102 26.880 -1.863 13.244 733 H SER 103 HN SER 103 21.939 -0.868 12.922 734 HA SER 103 HA SER 103 23.345 -3.335 12.554 735 1HB SER 103 2HB SER 103 22.839 -1.456 14.730 736 2HB SER 103 3HB SER 103 22.504 -3.094 15.256 737 HG SER 103 HG SER 103 24.666 -3.672 14.358 738 H LEU 104 HN LEU 104 20.062 -2.139 13.317 739 HA LEU 104 HA LEU 104 19.120 -4.800 13.928 740 1HB LEU 104 2HB LEU 104 18.346 -2.166 14.548 741 2HB LEU 104 3HB LEU 104 17.058 -2.820 13.555 742 HG LEU 104 HG LEU 104 16.607 -4.573 15.081 743 1HD1 LEU 104 1HD1 LEU 104 19.321 -3.949 16.196 744 2HD1 LEU 104 2HD1 LEU 104 18.090 -4.714 17.229 745 3HD1 LEU 104 3HD1 LEU 104 18.610 -5.511 15.725 746 1HD2 LEU 104 1HD2 LEU 104 16.168 -3.385 17.205 747 2HD2 LEU 104 2HD2 LEU 104 17.186 -2.039 16.638 748 3HD2 LEU 104 3HD2 LEU 104 15.686 -2.446 15.771 749 H GLY 105 HN GLY 105 20.187 -3.536 11.159 750 1HA GLY 105 1HA GLY 105 18.004 -3.786 9.370 751 2HA GLY 105 2HA GLY 105 19.711 -3.774 8.971 752 H THR 106 HN THR 106 20.963 -5.816 9.153 753 HA THR 106 HA THR 106 19.330 -8.229 9.336 754 HB THR 106 HB THR 106 20.968 -7.348 6.904 755 HG1 THR 106 HG1 THR 106 18.213 -8.236 7.401 756 1HG2 THR 106 1HG2 THR 106 21.299 -9.795 7.316 757 2HG2 THR 106 2HG2 THR 106 19.539 -9.997 7.481 758 3HG2 THR 106 3HG2 THR 106 20.237 -9.523 5.914 759 H GLY 107 HN GLY 107 20.396 -10.000 10.145 760 1HA GLY 107 1HA GLY 107 22.501 -9.708 11.822 761 2HA GLY 107 2HA GLY 107 22.091 -11.210 11.019 762 H ALA 108 HN ALA 108 24.762 -9.883 11.750 763 HA ALA 108 HA ALA 108 26.160 -10.713 9.459 764 1HB ALA 108 1HB ALA 108 26.047 -7.704 9.916 765 2HB ALA 108 2HB ALA 108 27.062 -8.551 8.724 766 3HB ALA 108 3HB ALA 108 25.290 -8.569 8.557 767 HA PRO 109 HA PRO 109 28.377 -10.622 13.380 768 1HB PRO 109 2HB PRO 109 29.112 -13.254 13.417 769 2HB PRO 109 3HB PRO 109 27.665 -12.652 14.202 770 1HG PRO 109 2HG PRO 109 27.909 -14.184 11.685 771 2HG PRO 109 3HG PRO 109 26.495 -13.945 12.693 772 1HD PRO 109 2HD PRO 109 27.072 -12.634 10.208 773 2HD PRO 109 3HD PRO 109 25.718 -12.313 11.272 774 H VAL 110 HN VAL 110 30.560 -10.374 13.840 775 HA VAL 110 HA VAL 110 32.252 -10.979 11.519 776 HB VAL 110 HB VAL 110 31.627 -8.587 11.606 777 1HG1 VAL 110 1HG1 VAL 110 31.431 -7.619 13.613 778 2HG1 VAL 110 2HG1 VAL 110 32.348 -8.919 14.411 779 3HG1 VAL 110 3HG1 VAL 110 33.209 -7.555 13.659 780 1HG2 VAL 110 1HG2 VAL 110 34.485 -9.467 11.968 781 2HG2 VAL 110 2HG2 VAL 110 33.640 -8.939 10.493 782 3HG2 VAL 110 3HG2 VAL 110 34.092 -7.746 11.734 783 H ILE 111 HN ILE 111 34.489 -11.454 12.043 784 HA ILE 111 HA ILE 111 34.887 -13.182 14.053 785 HB ILE 111 HB ILE 111 36.849 -11.253 12.815 786 1HG1 ILE 111 2HG1 ILE 111 37.379 -13.695 11.757 787 2HG1 ILE 111 3HG1 ILE 111 35.651 -13.845 12.008 788 1HG2 ILE 111 1HG2 ILE 111 38.639 -12.469 13.690 789 2HG2 ILE 111 2HG2 ILE 111 37.528 -12.289 15.069 790 3HG2 ILE 111 3HG2 ILE 111 37.602 -13.830 14.182 791 1HD1 ILE 111 1HD1 ILE 111 36.519 -11.242 10.840 792 2HD1 ILE 111 2HD1 ILE 111 36.774 -12.667 9.805 793 3HD1 ILE 111 3HD1 ILE 111 35.143 -12.284 10.404 Start of MODEL 19 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 2.921 0.662 -1.070 3 1HB ASP 8 2HB ASP 8 3.129 -1.803 -0.764 4 2HB ASP 8 3HB ASP 8 1.680 -2.054 -1.717 5 HA PRO 9 HA PRO 9 -0.602 1.976 -3.613 6 1HB PRO 9 2HB PRO 9 0.167 4.576 -3.946 7 2HB PRO 9 3HB PRO 9 -0.892 4.049 -2.654 8 1HG PRO 9 2HG PRO 9 1.963 4.803 -2.518 9 2HG PRO 9 3HG PRO 9 0.795 4.689 -1.217 10 1HD PRO 9 2HD PRO 9 2.860 2.799 -1.840 11 2HD PRO 9 3HD PRO 9 1.620 2.630 -0.613 12 H ALA 10 HN ALA 10 -0.763 3.017 -5.846 13 HA ALA 10 HA ALA 10 1.293 3.498 -7.470 14 1HB ALA 10 1HB ALA 10 1.214 0.601 -6.761 15 2HB ALA 10 2HB ALA 10 1.453 0.992 -8.481 16 3HB ALA 10 3HB ALA 10 2.585 1.619 -7.260 17 H VAL 11 HN VAL 11 -1.742 1.794 -6.859 18 HA VAL 11 HA VAL 11 -2.538 1.915 -9.628 19 HB VAL 11 HB VAL 11 -4.113 1.197 -7.149 20 1HG1 VAL 11 1HG1 VAL 11 -5.862 0.798 -8.482 21 2HG1 VAL 11 2HG1 VAL 11 -4.973 1.636 -9.776 22 3HG1 VAL 11 3HG1 VAL 11 -4.863 -0.134 -9.624 23 1HG2 VAL 11 1HG2 VAL 11 -2.249 -0.289 -7.217 24 2HG2 VAL 11 2HG2 VAL 11 -3.638 -1.178 -7.886 25 3HG2 VAL 11 3HG2 VAL 11 -2.401 -0.509 -8.977 26 H ASP 12 HN ASP 12 -2.908 3.763 -6.605 27 HA ASP 12 HA ASP 12 -5.095 5.256 -7.318 28 1HB ASP 12 2HB ASP 12 -3.215 5.189 -5.223 29 2HB ASP 12 3HB ASP 12 -3.018 6.795 -5.895 30 H ARG 13 HN ARG 13 -1.613 5.499 -8.139 31 HA ARG 13 HA ARG 13 -1.580 8.078 -9.065 32 1HB ARG 13 2HB ARG 13 0.053 5.599 -9.502 33 2HB ARG 13 3HB ARG 13 0.258 6.861 -10.701 34 1HG ARG 13 2HG ARG 13 0.737 8.510 -8.872 35 2HG ARG 13 3HG ARG 13 0.550 7.237 -7.682 36 1HD ARG 13 2HD ARG 13 2.508 6.078 -8.433 37 2HD ARG 13 3HD ARG 13 2.537 6.931 -9.964 38 HE ARG 13 HE ARG 13 2.791 8.747 -7.697 39 1HH1 ARG 13 2HH2 ARG 13 4.571 6.558 -9.799 40 2HH1 ARG 13 1HH2 ARG 13 6.093 7.345 -9.544 41 1HH2 ARG 13 2HH1 ARG 13 4.798 9.787 -7.360 42 2HH2 ARG 13 1HH1 ARG 13 6.223 9.194 -8.148 43 H SER 14 HN SER 14 -2.584 5.000 -10.614 44 HA SER 14 HA SER 14 -2.679 5.923 -13.215 45 1HB SER 14 2HB SER 14 -4.352 3.789 -11.819 46 2HB SER 14 3HB SER 14 -4.304 4.012 -13.556 47 HG SER 14 HG SER 14 -2.167 3.356 -13.634 48 H LEU 15 HN LEU 15 -5.065 6.020 -10.517 49 HA LEU 15 HA LEU 15 -7.173 7.031 -12.119 50 1HB LEU 15 2HB LEU 15 -6.774 7.105 -9.125 51 2HB LEU 15 3HB LEU 15 -8.272 7.438 -9.972 52 HG LEU 15 HG LEU 15 -7.258 4.847 -10.758 53 1HD1 LEU 15 1HD1 LEU 15 -7.243 5.471 -7.831 54 2HD1 LEU 15 2HD1 LEU 15 -7.811 3.874 -8.376 55 3HD1 LEU 15 3HD1 LEU 15 -6.168 4.423 -8.786 56 1HD2 LEU 15 1HD2 LEU 15 -9.763 5.811 -9.358 57 2HD2 LEU 15 2HD2 LEU 15 -9.545 5.450 -11.087 58 3HD2 LEU 15 3HD2 LEU 15 -9.497 4.133 -9.891 59 H ARG 16 HN ARG 16 -4.230 8.368 -10.983 60 HA ARG 16 HA ARG 16 -5.384 11.028 -11.002 61 1HB ARG 16 2HB ARG 16 -2.737 9.912 -9.979 62 2HB ARG 16 3HB ARG 16 -2.984 11.638 -10.161 63 1HG ARG 16 2HG ARG 16 -5.300 10.720 -8.805 64 2HG ARG 16 3HG ARG 16 -3.977 9.836 -8.071 65 1HD ARG 16 2HD ARG 16 -4.422 12.830 -8.178 66 2HD ARG 16 3HD ARG 16 -4.050 11.826 -6.791 67 HE ARG 16 HE ARG 16 -2.125 12.906 -8.745 68 1HH1 ARG 16 2HH2 ARG 16 -2.679 10.599 -6.146 69 2HH1 ARG 16 1HH2 ARG 16 -0.997 10.422 -5.772 70 1HH2 ARG 16 2HH1 ARG 16 0.094 12.673 -8.252 71 2HH2 ARG 16 1HH1 ARG 16 0.591 11.610 -6.978 72 H SER 17 HN SER 17 -5.528 10.316 -13.504 73 HA SER 17 HA SER 17 -3.704 11.906 -14.840 74 1HB SER 17 2HB SER 17 -3.128 8.934 -14.879 75 2HB SER 17 3HB SER 17 -2.761 9.907 -16.289 76 HG SER 17 HG SER 17 -0.932 10.346 -15.266 77 H VAL 18 HN VAL 18 -4.539 12.400 -16.910 78 HA VAL 18 HA VAL 18 -6.772 10.705 -17.787 79 HB VAL 18 HB VAL 18 -7.467 13.139 -18.714 80 1HG1 VAL 18 1HG1 VAL 18 -8.221 12.383 -15.893 81 2HG1 VAL 18 2HG1 VAL 18 -9.234 13.067 -17.188 82 3HG1 VAL 18 3HG1 VAL 18 -8.707 11.369 -17.274 83 1HG2 VAL 18 1HG2 VAL 18 -7.011 14.898 -17.242 84 2HG2 VAL 18 2HG2 VAL 18 -6.473 13.805 -15.944 85 3HG2 VAL 18 3HG2 VAL 18 -5.447 14.059 -17.376 86 H PHE 19 HN PHE 19 -6.542 9.928 -19.824 87 HA PHE 19 HA PHE 19 -4.227 10.684 -21.304 88 1HB PHE 19 2HB PHE 19 -5.162 8.361 -21.205 89 2HB PHE 19 3HB PHE 19 -6.698 8.928 -21.829 90 HD1 PHE 19 HD1 PHE 19 -3.158 9.433 -22.924 91 HD2 PHE 19 HD2 PHE 19 -7.055 8.100 -23.944 92 HE1 PHE 19 HE1 PHE 19 -2.382 8.958 -25.263 93 HE2 PHE 19 HE2 PHE 19 -6.280 7.625 -26.284 94 HZ PHE 19 HZ PHE 19 -3.953 8.060 -26.915 95 H VAL 20 HN VAL 20 -4.044 12.134 -22.963 96 HA VAL 20 HA VAL 20 -6.567 13.231 -24.001 97 HB VAL 20 HB VAL 20 -3.984 14.752 -23.947 98 1HG1 VAL 20 1HG1 VAL 20 -5.429 16.687 -23.974 99 2HG1 VAL 20 2HG1 VAL 20 -5.954 15.565 -25.252 100 3HG1 VAL 20 3HG1 VAL 20 -6.870 15.670 -23.729 101 1HG2 VAL 20 1HG2 VAL 20 -4.891 15.775 -21.759 102 2HG2 VAL 20 2HG2 VAL 20 -5.857 14.287 -21.623 103 3HG2 VAL 20 3HG2 VAL 20 -4.080 14.193 -21.668 104 H GLY 21 HN GLY 21 -6.855 13.208 -26.201 105 1HA GLY 21 1HA GLY 21 -4.511 12.490 -27.849 106 2HA GLY 21 2HA GLY 21 -6.020 11.610 -27.982 107 H ASN 22 HN ASN 22 -5.623 12.484 -30.323 108 HA ASN 22 HA ASN 22 -6.151 13.817 -31.953 109 1HB ASN 22 2HB ASN 22 -8.446 13.481 -30.551 110 2HB ASN 22 3HB ASN 22 -8.295 15.214 -30.341 111 1HD2 ASN 22 1HD2 ASN 22 -9.313 16.375 -31.769 112 2HD2 ASN 22 2HD2 ASN 22 -9.623 15.981 -33.427 113 H ILE 23 HN ILE 23 -4.119 14.810 -30.111 114 HA ILE 23 HA ILE 23 -4.713 17.654 -29.866 115 HB ILE 23 HB ILE 23 -2.212 16.291 -28.924 116 1HG1 ILE 23 2HG1 ILE 23 -4.819 16.383 -27.380 117 2HG1 ILE 23 3HG1 ILE 23 -4.184 14.952 -28.166 118 1HG2 ILE 23 1HG2 ILE 23 -2.449 18.794 -28.928 119 2HG2 ILE 23 2HG2 ILE 23 -3.761 18.605 -27.741 120 3HG2 ILE 23 3HG2 ILE 23 -2.113 18.064 -27.340 121 1HD1 ILE 23 1HD1 ILE 23 -2.760 14.552 -26.450 122 2HD1 ILE 23 2HD1 ILE 23 -2.109 16.207 -26.537 123 3HD1 ILE 23 3HD1 ILE 23 -3.564 15.872 -25.567 124 HA PRO 24 HA PRO 24 -2.525 18.141 -33.624 125 1HB PRO 24 2HB PRO 24 -3.168 20.764 -34.037 126 2HB PRO 24 3HB PRO 24 -4.188 19.435 -34.552 127 1HG PRO 24 2HG PRO 24 -4.553 21.274 -32.266 128 2HG PRO 24 3HG PRO 24 -5.736 20.240 -33.044 129 1HD PRO 24 2HD PRO 24 -4.428 19.767 -30.535 130 2HD PRO 24 3HD PRO 24 -5.522 18.681 -31.368 131 H TYR 25 HN TYR 25 -0.782 19.546 -34.563 132 HA TYR 25 HA TYR 25 1.217 19.776 -32.594 133 1HB TYR 25 2HB TYR 25 0.737 20.647 -35.493 134 2HB TYR 25 3HB TYR 25 2.229 21.103 -34.695 135 HD1 TYR 25 HD1 TYR 25 3.265 19.812 -36.653 136 HD2 TYR 25 HD2 TYR 25 0.953 17.929 -33.584 137 HE1 TYR 25 HE1 TYR 25 4.276 17.561 -37.262 138 HE2 TYR 25 HE2 TYR 25 1.972 15.684 -34.204 139 HH TYR 25 HH TYR 25 3.384 15.054 -36.987 140 H GLU 26 HN GLU 26 -1.446 21.786 -33.277 141 HA GLU 26 HA GLU 26 -0.004 24.207 -32.664 142 1HB GLU 26 2HB GLU 26 -2.577 23.509 -33.915 143 2HB GLU 26 3HB GLU 26 -2.738 24.820 -32.763 144 1HG GLU 26 2HG GLU 26 -0.432 25.577 -34.074 145 2HG GLU 26 3HG GLU 26 -1.280 24.750 -35.366 146 H ALA 27 HN ALA 27 -1.522 21.635 -31.016 147 HA ALA 27 HA ALA 27 -2.040 23.372 -28.699 148 1HB ALA 27 1HB ALA 27 -3.813 21.957 -28.079 149 2HB ALA 27 2HB ALA 27 -3.974 22.057 -29.849 150 3HB ALA 27 3HB ALA 27 -3.232 20.621 -29.102 151 H THR 28 HN THR 28 -0.004 23.330 -27.732 152 HA THR 28 HA THR 28 1.288 20.741 -27.401 153 HB THR 28 HB THR 28 2.418 23.272 -26.249 154 HG1 THR 28 HG1 THR 28 2.674 24.125 -28.371 155 1HG2 THR 28 1HG2 THR 28 4.230 21.874 -26.455 156 2HG2 THR 28 2HG2 THR 28 3.341 20.763 -27.525 157 3HG2 THR 28 3HG2 THR 28 4.130 22.209 -28.200 158 H GLU 29 HN GLU 29 2.396 20.483 -25.117 159 HA GLU 29 HA GLU 29 0.333 19.944 -23.382 160 1HB GLU 29 2HB GLU 29 3.326 19.996 -23.219 161 2HB GLU 29 3HB GLU 29 2.460 19.959 -21.696 162 1HG GLU 29 2HG GLU 29 1.144 17.965 -22.553 163 2HG GLU 29 3HG GLU 29 2.143 17.971 -23.993 164 H GLU 30 HN GLU 30 2.301 22.860 -23.853 165 HA GLU 30 HA GLU 30 1.797 24.019 -21.376 166 1HB GLU 30 2HB GLU 30 2.823 24.894 -24.032 167 2HB GLU 30 3HB GLU 30 2.126 26.174 -23.059 168 1HG GLU 30 2HG GLU 30 3.829 24.425 -21.428 169 2HG GLU 30 3HG GLU 30 4.717 25.063 -22.798 170 H GLN 31 HN GLN 31 -0.070 23.812 -24.403 171 HA GLN 31 HA GLN 31 -1.936 25.782 -23.481 172 1HB GLN 31 2HB GLN 31 -2.083 23.957 -25.920 173 2HB GLN 31 3HB GLN 31 -3.084 25.365 -25.625 174 1HG GLN 31 2HG GLN 31 -0.761 26.638 -25.423 175 2HG GLN 31 3HG GLN 31 -0.129 25.251 -26.289 176 1HE2 GLN 31 1HE2 GLN 31 -2.910 27.477 -26.364 177 2HE2 GLN 31 2HE2 GLN 31 -2.958 27.712 -28.080 178 H LEU 32 HN LEU 32 -1.751 22.213 -23.978 179 HA LEU 32 HA LEU 32 -4.412 21.666 -23.341 180 1HB LEU 32 2HB LEU 32 -1.856 20.110 -23.384 181 2HB LEU 32 3HB LEU 32 -3.287 19.390 -22.674 182 HG LEU 32 HG LEU 32 -4.506 19.734 -24.809 183 1HD1 LEU 32 1HD1 LEU 32 -3.083 21.682 -25.546 184 2HD1 LEU 32 2HD1 LEU 32 -1.841 20.498 -26.017 185 3HD1 LEU 32 3HD1 LEU 32 -3.440 20.468 -26.798 186 1HD2 LEU 32 1HD2 LEU 32 -3.620 17.855 -25.892 187 2HD2 LEU 32 2HD2 LEU 32 -1.960 18.211 -25.357 188 3HD2 LEU 32 3HD2 LEU 32 -3.171 17.641 -24.183 189 H LYS 33 HN LYS 33 -1.426 21.789 -21.294 190 HA LYS 33 HA LYS 33 -2.640 21.039 -18.922 191 1HB LYS 33 2HB LYS 33 -0.306 21.015 -18.958 192 2HB LYS 33 3HB LYS 33 -0.187 22.629 -19.628 193 1HG LYS 33 2HG LYS 33 -0.531 23.671 -17.572 194 2HG LYS 33 3HG LYS 33 -1.542 22.378 -16.958 195 1HD LYS 33 2HD LYS 33 0.237 21.478 -15.884 196 2HD LYS 33 3HD LYS 33 1.060 21.252 -17.414 197 1HE LYS 33 2HE LYS 33 2.578 22.795 -16.723 198 2HE LYS 33 3HE LYS 33 1.332 24.010 -16.930 199 1HZ LYS 33 1HZ LYS 33 0.835 22.777 -14.526 200 2HZ LYS 33 2HZ LYS 33 2.444 23.052 -14.555 201 3HZ LYS 33 3HZ LYS 33 1.400 24.290 -14.763 202 H ASP 34 HN ASP 34 -2.475 24.201 -20.603 203 HA ASP 34 HA ASP 34 -3.424 25.700 -18.473 204 1HB ASP 34 2HB ASP 34 -2.555 26.197 -21.055 205 2HB ASP 34 3HB ASP 34 -4.269 26.527 -21.211 206 H ILE 35 HN ILE 35 -4.979 23.828 -21.127 207 HA ILE 35 HA ILE 35 -7.595 24.791 -20.665 208 HB ILE 35 HB ILE 35 -6.624 22.268 -22.013 209 1HG1 ILE 35 2HG1 ILE 35 -7.523 24.658 -23.548 210 2HG1 ILE 35 3HG1 ILE 35 -5.956 24.761 -22.771 211 1HG2 ILE 35 1HG2 ILE 35 -8.748 22.044 -22.994 212 2HG2 ILE 35 2HG2 ILE 35 -9.063 22.359 -21.271 213 3HG2 ILE 35 3HG2 ILE 35 -9.262 23.664 -22.465 214 1HD1 ILE 35 1HD1 ILE 35 -6.592 23.434 -25.206 215 2HD1 ILE 35 2HD1 ILE 35 -5.030 23.433 -24.352 216 3HD1 ILE 35 3HD1 ILE 35 -6.224 22.154 -24.025 217 H PHE 36 HN PHE 36 -5.760 21.867 -19.588 218 HA PHE 36 HA PHE 36 -7.925 20.787 -18.152 219 1HB PHE 36 2HB PHE 36 -4.891 20.522 -18.278 220 2HB PHE 36 3HB PHE 36 -5.737 19.696 -16.984 221 HD1 PHE 36 HD1 PHE 36 -6.706 20.181 -20.553 222 HD2 PHE 36 HD2 PHE 36 -5.644 17.439 -17.494 223 HE1 PHE 36 HE1 PHE 36 -7.200 18.266 -22.099 224 HE2 PHE 36 HE2 PHE 36 -6.138 15.523 -19.040 225 HZ PHE 36 HZ PHE 36 -6.910 15.960 -21.323 226 H SER 37 HN SER 37 -5.467 23.244 -17.432 227 HA SER 37 HA SER 37 -5.578 23.074 -14.671 228 1HB SER 37 2HB SER 37 -4.480 25.219 -14.669 229 2HB SER 37 3HB SER 37 -3.880 24.339 -16.061 230 HG SER 37 HG SER 37 -5.966 25.600 -17.038 231 H GLU 38 HN GLU 38 -7.700 24.588 -17.098 232 HA GLU 38 HA GLU 38 -9.027 26.316 -15.378 233 1HB GLU 38 2HB GLU 38 -10.390 25.001 -17.739 234 2HB GLU 38 3HB GLU 38 -10.548 26.648 -17.161 235 1HG GLU 38 2HG GLU 38 -7.805 26.417 -17.747 236 2HG GLU 38 3HG GLU 38 -8.575 25.506 -19.030 237 H VAL 39 HN VAL 39 -8.910 22.911 -15.414 238 HA VAL 39 HA VAL 39 -11.591 22.682 -14.260 239 HB VAL 39 HB VAL 39 -9.654 20.575 -15.239 240 1HG1 VAL 39 1HG1 VAL 39 -12.345 19.637 -15.106 241 2HG1 VAL 39 2HG1 VAL 39 -10.925 19.074 -14.192 242 3HG1 VAL 39 3HG1 VAL 39 -11.945 20.377 -13.537 243 1HG2 VAL 39 1HG2 VAL 39 -12.257 21.387 -16.548 244 2HG2 VAL 39 2HG2 VAL 39 -10.704 22.151 -16.966 245 3HG2 VAL 39 3HG2 VAL 39 -10.932 20.403 -17.215 246 H GLY 40 HN GLY 40 -8.363 23.218 -13.398 247 1HA GLY 40 1HA GLY 40 -8.527 23.361 -10.775 248 2HA GLY 40 2HA GLY 40 -8.468 21.619 -10.953 249 HA PRO 41 HA PRO 41 -4.172 23.102 -10.949 250 1HB PRO 41 2HB PRO 41 -3.258 21.608 -8.852 251 2HB PRO 41 3HB PRO 41 -3.818 23.259 -8.679 252 1HG PRO 41 2HG PRO 41 -5.180 20.751 -7.911 253 2HG PRO 41 3HG PRO 41 -5.511 22.387 -7.378 254 1HD PRO 41 2HD PRO 41 -7.014 20.869 -9.292 255 2HD PRO 41 3HD PRO 41 -7.274 22.544 -8.845 256 H VAL 42 HN VAL 42 -2.558 22.302 -12.190 257 HA VAL 42 HA VAL 42 -2.944 19.469 -12.844 258 HB VAL 42 HB VAL 42 -1.719 21.769 -14.374 259 1HG1 VAL 42 1HG1 VAL 42 -0.380 19.858 -14.890 260 2HG1 VAL 42 2HG1 VAL 42 -1.813 18.811 -15.031 261 3HG1 VAL 42 3HG1 VAL 42 -1.515 20.080 -16.243 262 1HG2 VAL 42 1HG2 VAL 42 -3.587 21.743 -15.741 263 2HG2 VAL 42 2HG2 VAL 42 -4.007 20.065 -15.322 264 3HG2 VAL 42 3HG2 VAL 42 -4.305 21.375 -14.154 265 H VAL 43 HN VAL 43 -1.477 18.038 -12.084 266 HA VAL 43 HA VAL 43 0.753 18.972 -10.601 267 HB VAL 43 HB VAL 43 -0.172 16.244 -11.509 268 1HG1 VAL 43 1HG1 VAL 43 2.129 15.904 -11.229 269 2HG1 VAL 43 2HG1 VAL 43 2.232 17.048 -9.869 270 3HG1 VAL 43 3HG1 VAL 43 1.443 15.468 -9.645 271 1HG2 VAL 43 1HG2 VAL 43 -0.787 15.981 -9.123 272 2HG2 VAL 43 2HG2 VAL 43 -0.287 17.664 -8.827 273 3HG2 VAL 43 3HG2 VAL 43 -1.658 17.320 -9.909 274 H SER 44 HN SER 44 0.500 16.953 -13.620 275 HA SER 44 HA SER 44 2.607 18.450 -14.783 276 1HB SER 44 2HB SER 44 3.534 16.470 -13.161 277 2HB SER 44 3HB SER 44 3.301 15.539 -14.628 278 HG SER 44 HG SER 44 5.277 16.309 -15.056 279 H PHE 45 HN PHE 45 3.115 17.527 -17.062 280 HA PHE 45 HA PHE 45 0.994 15.790 -18.038 281 1HB PHE 45 2HB PHE 45 0.567 18.430 -18.160 282 2HB PHE 45 3HB PHE 45 1.773 18.400 -19.431 283 HD1 PHE 45 HD1 PHE 45 -1.456 18.853 -19.207 284 HD2 PHE 45 HD2 PHE 45 1.129 15.925 -20.864 285 HE1 PHE 45 HE1 PHE 45 -3.228 18.232 -20.872 286 HE2 PHE 45 HE2 PHE 45 -0.643 15.303 -22.530 287 HZ PHE 45 HZ PHE 45 -2.800 16.464 -22.514 288 H ARG 46 HN ARG 46 1.893 14.237 -19.303 289 HA ARG 46 HA ARG 46 4.250 15.022 -20.809 290 1HB ARG 46 2HB ARG 46 3.864 12.533 -19.088 291 2HB ARG 46 3HB ARG 46 5.058 12.576 -20.370 292 1HG ARG 46 2HG ARG 46 4.986 14.789 -18.294 293 2HG ARG 46 3HG ARG 46 5.758 13.262 -17.917 294 1HD ARG 46 2HD ARG 46 6.543 14.349 -20.567 295 2HD ARG 46 3HD ARG 46 6.974 15.398 -19.231 296 HE ARG 46 HE ARG 46 7.708 12.746 -18.499 297 1HH1 ARG 46 2HH2 ARG 46 8.622 15.199 -20.852 298 2HH1 ARG 46 1HH2 ARG 46 10.259 14.649 -20.979 299 1HH2 ARG 46 2HH1 ARG 46 9.869 12.021 -18.667 300 2HH2 ARG 46 1HH1 ARG 46 10.973 12.829 -19.728 301 H LEU 47 HN LEU 47 4.200 14.345 -22.966 302 HA LEU 47 HA LEU 47 2.104 12.404 -23.652 303 1HB LEU 47 2HB LEU 47 1.740 13.657 -25.721 304 2HB LEU 47 3HB LEU 47 1.327 14.569 -24.283 305 HG LEU 47 HG LEU 47 3.477 15.801 -24.465 306 1HD1 LEU 47 1HD1 LEU 47 3.852 13.945 -26.778 307 2HD1 LEU 47 2HD1 LEU 47 4.490 15.603 -26.897 308 3HD1 LEU 47 3HD1 LEU 47 5.024 14.535 -25.577 309 1HD2 LEU 47 1HD2 LEU 47 2.746 17.309 -26.112 310 2HD2 LEU 47 2HD2 LEU 47 1.952 16.028 -27.060 311 3HD2 LEU 47 3HD2 LEU 47 1.263 16.538 -25.500 312 H VAL 48 HN VAL 48 2.614 11.703 -26.144 313 HA VAL 48 HA VAL 48 5.244 10.517 -25.934 314 HB VAL 48 HB VAL 48 4.399 9.354 -28.056 315 1HG1 VAL 48 1HG1 VAL 48 4.166 7.769 -26.500 316 2HG1 VAL 48 2HG1 VAL 48 3.761 8.971 -25.251 317 3HG1 VAL 48 3HG1 VAL 48 2.481 8.305 -26.294 318 1HG2 VAL 48 1HG2 VAL 48 2.327 9.717 -28.869 319 2HG2 VAL 48 2HG2 VAL 48 1.613 9.912 -27.250 320 3HG2 VAL 48 3HG2 VAL 48 2.455 11.278 -28.022 321 H TYR 49 HN TYR 49 7.026 11.378 -26.858 322 HA TYR 49 HA TYR 49 6.589 13.174 -29.149 323 1HB TYR 49 2HB TYR 49 7.994 13.375 -26.516 324 2HB TYR 49 3HB TYR 49 9.038 13.802 -27.857 325 HD1 TYR 49 HD1 TYR 49 6.924 15.143 -25.480 326 HD2 TYR 49 HD2 TYR 49 7.725 15.401 -29.675 327 HE1 TYR 49 HE1 TYR 49 5.905 17.472 -25.539 328 HE2 TYR 49 HE2 TYR 49 6.704 17.729 -29.720 329 HH TYR 49 HH TYR 49 4.746 18.871 -27.868 330 H ASP 50 HN ASP 50 7.469 12.393 -30.993 331 HA ASP 50 HA ASP 50 9.153 10.152 -30.900 332 1HB ASP 50 2HB ASP 50 8.761 12.027 -33.269 333 2HB ASP 50 3HB ASP 50 9.173 10.325 -33.325 334 H ARG 51 HN ARG 51 11.305 10.351 -30.240 335 HA ARG 51 HA ARG 51 12.622 12.829 -30.408 336 1HB ARG 51 2HB ARG 51 13.486 10.007 -29.651 337 2HB ARG 51 3HB ARG 51 14.653 11.312 -29.715 338 1HG ARG 51 2HG ARG 51 13.243 12.629 -28.101 339 2HG ARG 51 3HG ARG 51 12.115 11.291 -28.013 340 1HD ARG 51 2HD ARG 51 13.402 10.265 -26.449 341 2HD ARG 51 3HD ARG 51 14.767 10.239 -27.549 342 HE ARG 51 HE ARG 51 14.489 12.889 -26.483 343 1HH1 ARG 51 2HH2 ARG 51 15.449 9.651 -25.494 344 2HH1 ARG 51 1HH2 ARG 51 16.515 10.209 -24.248 345 1HH2 ARG 51 2HH1 ARG 51 15.896 13.626 -24.840 346 2HH2 ARG 51 1HH1 ARG 51 16.771 12.485 -23.874 347 H GLU 52 HN GLU 52 12.401 9.907 -32.410 348 HA GLU 52 HA GLU 52 14.754 10.381 -33.871 349 1HB GLU 52 2HB GLU 52 12.555 8.453 -33.848 350 2HB GLU 52 3HB GLU 52 12.982 8.882 -35.493 351 1HG GLU 52 2HG GLU 52 15.485 8.556 -34.570 352 2HG GLU 52 3HG GLU 52 14.678 7.560 -33.375 353 H THR 53 HN THR 53 11.379 11.483 -34.088 354 HA THR 53 HA THR 53 12.074 12.921 -36.564 355 HB THR 53 HB THR 53 9.401 12.969 -36.603 356 HG1 THR 53 HG1 THR 53 10.071 10.527 -35.144 357 1HG2 THR 53 1HG2 THR 53 10.109 11.637 -38.367 358 2HG2 THR 53 2HG2 THR 53 11.333 10.810 -37.374 359 3HG2 THR 53 3HG2 THR 53 9.625 10.317 -37.276 360 H GLY 54 HN GLY 54 12.108 13.356 -33.326 361 1HA GLY 54 1HA GLY 54 11.745 15.099 -31.932 362 2HA GLY 54 2HA GLY 54 12.341 16.044 -33.282 363 H LYS 55 HN LYS 55 9.350 14.178 -33.655 364 HA LYS 55 HA LYS 55 7.855 16.701 -33.459 365 1HB LYS 55 2HB LYS 55 8.054 14.720 -35.623 366 2HB LYS 55 3HB LYS 55 6.403 15.099 -35.176 367 1HG LYS 55 2HG LYS 55 6.558 17.294 -35.887 368 2HG LYS 55 3HG LYS 55 8.228 17.456 -35.381 369 1HD LYS 55 2HD LYS 55 9.072 16.656 -37.390 370 2HD LYS 55 3HD LYS 55 7.728 15.562 -37.649 371 1HE LYS 55 2HE LYS 55 6.418 17.965 -37.839 372 2HE LYS 55 3HE LYS 55 8.004 18.444 -38.409 373 1HZ LYS 55 1HZ LYS 55 7.765 17.233 -40.245 374 2HZ LYS 55 2HZ LYS 55 7.048 15.972 -39.494 375 3HZ LYS 55 3HZ LYS 55 6.165 17.279 -39.920 376 HA PRO 56 HA PRO 56 5.426 14.610 -30.563 377 1HB PRO 56 2HB PRO 56 3.197 16.191 -30.544 378 2HB PRO 56 3HB PRO 56 4.664 16.593 -29.674 379 1HG PRO 56 2HG PRO 56 3.621 17.756 -32.183 380 2HG PRO 56 3HG PRO 56 4.824 18.408 -31.088 381 1HD PRO 56 2HD PRO 56 5.310 17.151 -33.620 382 2HD PRO 56 3HD PRO 56 6.517 17.698 -32.473 383 H LYS 57 HN LYS 57 4.115 12.864 -30.373 384 HA LYS 57 HA LYS 57 3.202 11.758 -32.760 385 1HB LYS 57 2HB LYS 57 3.310 11.063 -29.955 386 2HB LYS 57 3HB LYS 57 1.759 10.598 -30.626 387 1HG LYS 57 2HG LYS 57 4.453 9.911 -31.894 388 2HG LYS 57 3HG LYS 57 3.542 8.823 -30.866 389 1HD LYS 57 2HD LYS 57 2.303 8.158 -32.641 390 2HD LYS 57 3HD LYS 57 1.724 9.796 -32.866 391 1HE LYS 57 2HE LYS 57 2.856 9.812 -34.838 392 2HE LYS 57 3HE LYS 57 4.331 9.906 -33.896 393 1HZ LYS 57 1HZ LYS 57 3.083 7.560 -35.081 394 2HZ LYS 57 2HZ LYS 57 4.644 8.038 -35.138 395 3HZ LYS 57 3HZ LYS 57 4.043 7.371 -33.774 396 H GLY 58 HN GLY 58 1.303 13.217 -30.022 397 1HA GLY 58 1HA GLY 58 -0.315 14.934 -31.062 398 2HA GLY 58 2HA GLY 58 -0.958 13.524 -31.880 399 H TYR 59 HN TYR 59 -0.003 11.949 -29.279 400 HA TYR 59 HA TYR 59 -2.284 12.770 -27.613 401 1HB TYR 59 2HB TYR 59 -2.556 10.262 -27.263 402 2HB TYR 59 3HB TYR 59 -2.770 10.708 -28.944 403 HD1 TYR 59 HD1 TYR 59 -0.931 10.266 -30.596 404 HD2 TYR 59 HD2 TYR 59 -0.767 8.822 -26.572 405 HE1 TYR 59 HE1 TYR 59 0.870 8.598 -31.260 406 HE2 TYR 59 HE2 TYR 59 1.033 7.160 -27.249 407 HH TYR 59 HH TYR 59 1.558 6.092 -29.989 408 H GLY 60 HN GLY 60 -2.095 12.148 -25.317 409 1HA GLY 60 1HA GLY 60 0.390 11.155 -24.308 410 2HA GLY 60 2HA GLY 60 0.270 12.895 -24.142 411 H PHE 61 HN PHE 61 0.400 12.049 -21.754 412 HA PHE 61 HA PHE 61 -2.368 11.803 -20.829 413 1HB PHE 61 2HB PHE 61 0.162 10.399 -19.776 414 2HB PHE 61 3HB PHE 61 -1.433 10.232 -19.069 415 HD1 PHE 61 HD1 PHE 61 0.465 9.610 -22.203 416 HD2 PHE 61 HD2 PHE 61 -2.887 8.564 -19.821 417 HE1 PHE 61 HE1 PHE 61 -0.001 7.661 -23.715 418 HE2 PHE 61 HE2 PHE 61 -3.353 6.615 -21.332 419 HZ PHE 61 HZ PHE 61 -1.905 6.187 -23.261 420 H CYS 62 HN CYS 62 -2.893 13.078 -19.054 421 HA CYS 62 HA CYS 62 -0.672 14.683 -18.015 422 1HB CYS 62 2HB CYS 62 -2.373 15.936 -19.371 423 2HB CYS 62 3HB CYS 62 -3.591 15.497 -18.190 424 HG CYS 62 HG CYS 62 -2.992 16.968 -16.384 425 H GLU 63 HN GLU 63 -0.268 14.451 -15.830 426 HA GLU 63 HA GLU 63 -2.187 12.845 -14.364 427 1HB GLU 63 2HB GLU 63 -0.105 11.825 -14.115 428 2HB GLU 63 3HB GLU 63 0.771 13.342 -14.154 429 1HG GLU 63 2HG GLU 63 0.348 13.814 -11.889 430 2HG GLU 63 3HG GLU 63 -1.116 12.851 -11.848 431 H TYR 64 HN TYR 64 -3.358 13.657 -12.642 432 HA TYR 64 HA TYR 64 -2.938 16.494 -12.061 433 1HB TYR 64 2HB TYR 64 -5.143 14.415 -12.023 434 2HB TYR 64 3HB TYR 64 -5.263 15.666 -10.803 435 HD1 TYR 64 HD1 TYR 64 -5.555 14.891 -14.358 436 HD2 TYR 64 HD2 TYR 64 -5.569 18.043 -11.465 437 HE1 TYR 64 HE1 TYR 64 -6.623 16.454 -16.055 438 HE2 TYR 64 HE2 TYR 64 -6.636 19.596 -13.172 439 HH TYR 64 HH TYR 64 -6.953 19.857 -15.413 440 H GLN 65 HN GLN 65 -4.162 16.688 -9.568 441 HA GLN 65 HA GLN 65 -2.250 15.199 -7.949 442 1HB GLN 65 2HB GLN 65 -2.361 17.865 -8.121 443 2HB GLN 65 3HB GLN 65 -3.643 17.677 -6.942 444 1HG GLN 65 2HG GLN 65 -1.388 15.988 -6.199 445 2HG GLN 65 3HG GLN 65 -0.825 17.624 -6.474 446 1HE2 GLN 65 1HE2 GLN 65 -1.938 15.571 -4.213 447 2HE2 GLN 65 2HE2 GLN 65 -2.634 16.658 -3.058 448 H ASP 66 HN ASP 66 -5.609 15.731 -8.685 449 HA ASP 66 HA ASP 66 -6.274 14.032 -6.425 450 1HB ASP 66 2HB ASP 66 -8.364 15.986 -7.264 451 2HB ASP 66 3HB ASP 66 -7.961 15.410 -5.658 452 H GLN 67 HN GLN 67 -7.817 12.404 -6.992 453 HA GLN 67 HA GLN 67 -8.085 11.782 -9.651 454 1HB GLN 67 2HB GLN 67 -8.550 10.487 -7.292 455 2HB GLN 67 3HB GLN 67 -10.203 10.786 -7.790 456 1HG GLN 67 2HG GLN 67 -8.064 9.410 -9.483 457 2HG GLN 67 3HG GLN 67 -9.374 8.600 -8.648 458 1HE2 GLN 67 1HE2 GLN 67 -8.731 8.661 -11.473 459 2HE2 GLN 67 2HE2 GLN 67 -10.110 9.285 -12.316 460 H GLU 68 HN GLU 68 -10.222 13.631 -7.439 461 HA GLU 68 HA GLU 68 -12.428 13.680 -9.121 462 1HB GLU 68 2HB GLU 68 -12.636 14.261 -6.773 463 2HB GLU 68 3HB GLU 68 -11.489 15.576 -6.932 464 1HG GLU 68 2HG GLU 68 -13.140 16.577 -8.684 465 2HG GLU 68 3HG GLU 68 -14.301 15.410 -8.084 466 H THR 69 HN THR 69 -9.483 15.711 -8.899 467 HA THR 69 HA THR 69 -10.409 17.744 -10.639 468 HB THR 69 HB THR 69 -7.541 16.871 -10.019 469 HG1 THR 69 HG1 THR 69 -7.977 18.424 -8.195 470 1HG2 THR 69 1HG2 THR 69 -6.960 19.151 -10.394 471 2HG2 THR 69 2HG2 THR 69 -8.112 18.818 -11.709 472 3HG2 THR 69 3HG2 THR 69 -8.649 19.695 -10.256 473 H ALA 70 HN ALA 70 -8.571 14.689 -11.144 474 HA ALA 70 HA ALA 70 -8.117 15.186 -13.886 475 1HB ALA 70 1HB ALA 70 -7.947 12.492 -13.664 476 2HB ALA 70 2HB ALA 70 -6.663 13.596 -13.116 477 3HB ALA 70 3HB ALA 70 -7.832 12.939 -11.945 478 H LEU 71 HN LEU 71 -10.716 13.577 -11.993 479 HA LEU 71 HA LEU 71 -12.031 12.526 -14.263 480 1HB LEU 71 2HB LEU 71 -12.469 12.731 -11.367 481 2HB LEU 71 3HB LEU 71 -13.944 12.755 -12.313 482 HG LEU 71 HG LEU 71 -11.811 10.608 -12.485 483 1HD1 LEU 71 1HD1 LEU 71 -13.194 10.840 -10.308 484 2HD1 LEU 71 2HD1 LEU 71 -14.546 10.226 -11.291 485 3HD1 LEU 71 3HD1 LEU 71 -13.073 9.246 -11.092 486 1HD2 LEU 71 1HD2 LEU 71 -14.499 10.000 -13.483 487 2HD2 LEU 71 2HD2 LEU 71 -13.669 11.285 -14.394 488 3HD2 LEU 71 3HD2 LEU 71 -12.901 9.690 -14.205 489 H SER 72 HN SER 72 -12.306 15.568 -12.353 490 HA SER 72 HA SER 72 -14.587 16.478 -13.631 491 1HB SER 72 2HB SER 72 -13.432 17.352 -11.490 492 2HB SER 72 3HB SER 72 -12.359 18.245 -12.548 493 HG SER 72 HG SER 72 -13.880 19.745 -12.566 494 H ALA 73 HN ALA 73 -11.089 16.711 -14.412 495 HA ALA 73 HA ALA 73 -11.374 18.595 -16.488 496 1HB ALA 73 1HB ALA 73 -9.173 16.588 -16.593 497 2HB ALA 73 2HB ALA 73 -9.105 18.365 -16.657 498 3HB ALA 73 3HB ALA 73 -9.299 17.538 -15.093 499 H MET 74 HN MET 74 -11.544 15.013 -16.293 500 HA MET 74 HA MET 74 -11.473 14.548 -19.018 501 1HB MET 74 2HB MET 74 -11.785 13.076 -16.608 502 2HB MET 74 3HB MET 74 -13.251 12.730 -17.505 503 1HG MET 74 2HG MET 74 -11.155 12.571 -19.423 504 2HG MET 74 3HG MET 74 -10.527 11.776 -17.993 505 1HE MET 74 1HE MET 74 -11.775 10.226 -16.602 506 2HE MET 74 2HE MET 74 -13.533 10.476 -16.728 507 3HE MET 74 3HE MET 74 -12.815 8.930 -17.240 508 H ARG 75 HN ARG 75 -14.268 15.055 -16.764 509 HA ARG 75 HA ARG 75 -16.125 14.793 -18.875 510 1HB ARG 75 2HB ARG 75 -16.738 14.233 -16.545 511 2HB ARG 75 3HB ARG 75 -16.404 15.873 -16.026 512 1HG ARG 75 2HG ARG 75 -18.207 16.667 -17.658 513 2HG ARG 75 3HG ARG 75 -18.608 14.986 -17.944 514 1HD ARG 75 2HD ARG 75 -18.508 16.016 -15.094 515 2HD ARG 75 3HD ARG 75 -19.910 16.369 -16.083 516 HE ARG 75 HE ARG 75 -20.503 14.078 -16.070 517 1HH1 ARG 75 2HH2 ARG 75 -17.318 14.537 -14.645 518 2HH1 ARG 75 1HH2 ARG 75 -17.234 12.931 -14.002 519 1HH2 ARG 75 2HH1 ARG 75 -20.392 11.959 -15.221 520 2HH2 ARG 75 1HH1 ARG 75 -18.994 11.455 -14.331 521 H ASN 76 HN ASN 76 -14.230 17.391 -17.415 522 HA ASN 76 HA ASN 76 -15.912 19.474 -18.320 523 1HB ASN 76 2HB ASN 76 -13.125 19.269 -17.142 524 2HB ASN 76 3HB ASN 76 -13.600 20.780 -17.893 525 1HD2 ASN 76 1HD2 ASN 76 -15.807 18.550 -16.312 526 2HD2 ASN 76 2HD2 ASN 76 -16.226 19.545 -14.958 527 H LEU 77 HN LEU 77 -13.492 17.373 -19.699 528 HA LEU 77 HA LEU 77 -13.250 19.166 -22.015 529 1HB LEU 77 2HB LEU 77 -11.211 17.147 -21.078 530 2HB LEU 77 3HB LEU 77 -11.055 18.266 -22.417 531 HG LEU 77 HG LEU 77 -11.535 19.387 -19.682 532 1HD1 LEU 77 1HD1 LEU 77 -8.852 19.413 -19.686 533 2HD1 LEU 77 2HD1 LEU 77 -9.815 18.141 -18.897 534 3HD1 LEU 77 3HD1 LEU 77 -9.126 17.861 -20.514 535 1HD2 LEU 77 1HD2 LEU 77 -10.602 21.312 -20.510 536 2HD2 LEU 77 2HD2 LEU 77 -9.590 20.451 -21.695 537 3HD2 LEU 77 3HD2 LEU 77 -11.336 20.639 -21.985 538 H ASN 78 HN ASN 78 -12.398 15.697 -21.468 539 HA ASN 78 HA ASN 78 -12.753 14.023 -22.879 540 1HB ASN 78 2HB ASN 78 -15.265 13.356 -22.823 541 2HB ASN 78 3HB ASN 78 -14.475 13.563 -21.272 542 1HD2 ASN 78 1HD2 ASN 78 -17.169 14.233 -22.987 543 2HD2 ASN 78 2HD2 ASN 78 -17.753 15.651 -22.181 544 H GLY 79 HN GLY 79 -12.083 15.596 -24.781 545 1HA GLY 79 1HA GLY 79 -12.431 15.794 -27.043 546 2HA GLY 79 2HA GLY 79 -14.126 15.398 -26.840 547 H ARG 80 HN ARG 80 -11.936 17.958 -25.453 548 HA ARG 80 HA ARG 80 -14.065 19.838 -25.824 549 1HB ARG 80 2HB ARG 80 -12.925 20.095 -23.739 550 2HB ARG 80 3HB ARG 80 -11.345 19.903 -24.471 551 1HG ARG 80 2HG ARG 80 -11.735 22.271 -23.886 552 2HG ARG 80 3HG ARG 80 -11.584 22.092 -25.623 553 1HD ARG 80 2HD ARG 80 -14.237 21.833 -25.540 554 2HD ARG 80 3HD ARG 80 -14.077 22.627 -23.986 555 HE ARG 80 HE ARG 80 -12.574 24.025 -26.043 556 1HH1 ARG 80 2HH2 ARG 80 -15.811 23.571 -24.740 557 2HH1 ARG 80 1HH2 ARG 80 -16.389 25.107 -25.294 558 1HH2 ARG 80 2HH1 ARG 80 -13.336 26.052 -26.775 559 2HH2 ARG 80 1HH1 ARG 80 -14.971 26.527 -26.460 560 H GLU 81 HN GLU 81 -14.234 21.129 -27.634 561 HA GLU 81 HA GLU 81 -12.515 20.905 -29.744 562 1HB GLU 81 2HB GLU 81 -14.216 23.365 -29.176 563 2HB GLU 81 3HB GLU 81 -13.752 22.731 -30.743 564 1HG GLU 81 2HG GLU 81 -15.579 21.392 -30.776 565 2HG GLU 81 3HG GLU 81 -15.055 20.602 -29.302 566 H PHE 82 HN PHE 82 -10.672 21.995 -30.458 567 HA PHE 82 HA PHE 82 -9.862 24.485 -29.553 568 1HB PHE 82 2HB PHE 82 -9.565 23.280 -27.376 569 2HB PHE 82 3HB PHE 82 -8.659 22.011 -28.176 570 HD1 PHE 82 HD1 PHE 82 -6.429 22.666 -29.274 571 HD2 PHE 82 HD2 PHE 82 -8.459 25.134 -26.482 572 HE1 PHE 82 HE1 PHE 82 -4.293 23.900 -28.811 573 HE2 PHE 82 HE2 PHE 82 -6.323 26.368 -26.020 574 HZ PHE 82 HZ PHE 82 -4.265 25.736 -27.190 575 H SER 83 HN SER 83 -8.744 25.141 -31.322 576 HA SER 83 HA SER 83 -7.053 25.190 -32.741 577 1HB SER 83 2HB SER 83 -6.005 23.328 -31.120 578 2HB SER 83 3HB SER 83 -6.360 22.269 -32.471 579 HG SER 83 HG SER 83 -4.577 23.002 -33.382 580 H GLY 84 HN GLY 84 -9.929 23.890 -32.905 581 1HA GLY 84 1HA GLY 84 -11.169 23.587 -34.829 582 2HA GLY 84 2HA GLY 84 -9.713 23.234 -35.739 583 H ARG 85 HN ARG 85 -9.921 21.636 -32.641 584 HA ARG 85 HA ARG 85 -11.265 19.363 -33.749 585 1HB ARG 85 2HB ARG 85 -8.344 19.528 -33.565 586 2HB ARG 85 3HB ARG 85 -8.940 18.231 -32.549 587 1HG ARG 85 2HG ARG 85 -8.636 17.194 -34.664 588 2HG ARG 85 3HG ARG 85 -10.362 17.490 -34.592 589 1HD ARG 85 2HD ARG 85 -10.291 18.915 -36.371 590 2HD ARG 85 3HD ARG 85 -8.951 19.818 -35.692 591 HE ARG 85 HE ARG 85 -8.771 17.555 -37.573 592 1HH1 ARG 85 2HH2 ARG 85 -7.049 19.629 -35.311 593 2HH1 ARG 85 1HH2 ARG 85 -5.493 19.297 -35.994 594 1HH2 ARG 85 2HH1 ARG 85 -6.717 17.117 -38.474 595 2HH2 ARG 85 1HH1 ARG 85 -5.302 17.859 -37.805 596 H ALA 86 HN ALA 86 -11.626 17.645 -32.002 597 HA ALA 86 HA ALA 86 -12.031 19.000 -29.468 598 1HB ALA 86 1HB ALA 86 -13.958 17.853 -29.764 599 2HB ALA 86 2HB ALA 86 -13.231 16.777 -30.981 600 3HB ALA 86 3HB ALA 86 -13.031 16.424 -29.248 601 H LEU 87 HN LEU 87 -11.007 18.459 -27.543 602 HA LEU 87 HA LEU 87 -8.639 16.809 -27.870 603 1HB LEU 87 2HB LEU 87 -9.542 18.950 -26.017 604 2HB LEU 87 3HB LEU 87 -8.443 17.747 -25.373 605 HG LEU 87 HG LEU 87 -7.447 19.905 -26.322 606 1HD1 LEU 87 1HD1 LEU 87 -5.601 18.696 -26.118 607 2HD1 LEU 87 2HD1 LEU 87 -6.525 17.194 -26.356 608 3HD1 LEU 87 3HD1 LEU 87 -5.852 18.056 -27.760 609 1HD2 LEU 87 1HD2 LEU 87 -8.772 20.019 -28.370 610 2HD2 LEU 87 2HD2 LEU 87 -7.030 19.959 -28.733 611 3HD2 LEU 87 3HD2 LEU 87 -8.034 18.504 -28.945 612 H ARG 88 HN ARG 88 -9.545 14.704 -27.990 613 HA ARG 88 HA ARG 88 -11.479 13.756 -26.323 614 1HB ARG 88 2HB ARG 88 -9.774 12.720 -28.328 615 2HB ARG 88 3HB ARG 88 -9.428 11.726 -26.927 616 1HG ARG 88 2HG ARG 88 -12.047 11.568 -26.676 617 2HG ARG 88 3HG ARG 88 -12.087 12.128 -28.336 618 1HD ARG 88 2HD ARG 88 -11.186 10.158 -29.179 619 2HD ARG 88 3HD ARG 88 -10.189 9.877 -27.765 620 HE ARG 88 HE ARG 88 -11.958 8.700 -26.758 621 1HH1 ARG 88 2HH2 ARG 88 -13.152 10.465 -29.559 622 2HH1 ARG 88 1HH2 ARG 88 -14.705 9.699 -29.540 623 1HH2 ARG 88 2HH1 ARG 88 -14.008 7.690 -26.732 624 2HH2 ARG 88 1HH1 ARG 88 -15.196 8.110 -27.920 625 H VAL 89 HN VAL 89 -11.530 13.233 -24.148 626 HA VAL 89 HA VAL 89 -8.937 12.808 -22.835 627 HB VAL 89 HB VAL 89 -11.288 14.170 -21.539 628 1HG1 VAL 89 1HG1 VAL 89 -8.333 14.381 -20.903 629 2HG1 VAL 89 2HG1 VAL 89 -9.715 14.887 -19.902 630 3HG1 VAL 89 3HG1 VAL 89 -9.401 13.157 -20.177 631 1HG2 VAL 89 1HG2 VAL 89 -9.318 15.294 -23.465 632 2HG2 VAL 89 2HG2 VAL 89 -10.978 15.811 -23.082 633 3HG2 VAL 89 3HG2 VAL 89 -9.637 16.249 -21.997 634 H ASP 90 HN ASP 90 -8.787 10.862 -21.843 635 HA ASP 90 HA ASP 90 -11.268 9.681 -20.919 636 1HB ASP 90 2HB ASP 90 -9.460 7.624 -21.903 637 2HB ASP 90 3HB ASP 90 -11.140 7.898 -22.321 638 H ASN 91 HN ASN 91 -10.975 8.590 -18.911 639 HA ASN 91 HA ASN 91 -9.067 9.201 -17.233 640 1HB ASN 91 2HB ASN 91 -11.143 7.458 -17.129 641 2HB ASN 91 3HB ASN 91 -9.848 6.281 -17.212 642 1HD2 ASN 91 1HD2 ASN 91 -8.334 6.122 -15.575 643 2HD2 ASN 91 2HD2 ASN 91 -8.560 6.810 -14.001 644 H ALA 92 HN ALA 92 -6.891 8.601 -16.767 645 HA ALA 92 HA ALA 92 -5.532 7.149 -18.853 646 1HB ALA 92 1HB ALA 92 -4.409 8.344 -16.293 647 2HB ALA 92 2HB ALA 92 -3.535 7.969 -17.798 648 3HB ALA 92 3HB ALA 92 -4.720 9.297 -17.764 649 H ALA 93 HN ALA 93 -7.325 5.401 -17.744 650 HA ALA 93 HA ALA 93 -5.541 3.460 -16.600 651 1HB ALA 93 1HB ALA 93 -6.299 3.431 -14.465 652 2HB ALA 93 2HB ALA 93 -6.871 5.082 -14.803 653 3HB ALA 93 3HB ALA 93 -7.986 3.703 -14.962 654 H SER 94 HN SER 94 -7.229 4.049 -19.052 655 HA SER 94 HA SER 94 -9.415 2.251 -18.842 656 1HB SER 94 2HB SER 94 -8.415 4.216 -20.735 657 2HB SER 94 3HB SER 94 -8.779 2.728 -21.585 658 HG SER 94 HG SER 94 -10.925 2.777 -20.765 659 H GLU 95 HN GLU 95 -9.637 0.261 -20.211 660 HA GLU 95 HA GLU 95 -7.366 -1.348 -19.919 661 1HB GLU 95 2HB GLU 95 -10.107 -1.709 -21.144 662 2HB GLU 95 3HB GLU 95 -8.890 -2.947 -21.384 663 1HG GLU 95 2HG GLU 95 -9.020 -3.672 -19.218 664 2HG GLU 95 3HG GLU 95 -9.040 -2.042 -18.574 665 H LYS 96 HN LYS 96 -8.772 0.525 -22.603 666 HA LYS 96 HA LYS 96 -7.063 -0.727 -24.553 667 1HB LYS 96 2HB LYS 96 -8.209 0.569 -26.147 668 2HB LYS 96 3HB LYS 96 -9.424 0.101 -24.974 669 1HG LYS 96 2HG LYS 96 -9.400 2.283 -23.928 670 2HG LYS 96 3HG LYS 96 -7.934 2.751 -24.767 671 1HD LYS 96 2HD LYS 96 -9.050 2.989 -26.858 672 2HD LYS 96 3HD LYS 96 -10.409 2.004 -26.355 673 1HE LYS 96 2HE LYS 96 -11.388 3.735 -25.102 674 2HE LYS 96 3HE LYS 96 -9.859 4.541 -24.814 675 1HZ LYS 96 1HZ LYS 96 -10.431 5.837 -26.488 676 2HZ LYS 96 2HZ LYS 96 -10.154 4.591 -27.506 677 3HZ LYS 96 3HZ LYS 96 -11.666 4.877 -26.958 678 H ASN 97 HN ASN 97 -7.172 2.221 -22.534 679 HA ASN 97 HA ASN 97 -5.067 3.477 -23.907 680 1HB ASN 97 2HB ASN 97 -5.482 5.211 -22.435 681 2HB ASN 97 3HB ASN 97 -6.914 4.282 -22.036 682 1HD2 ASN 97 1HD2 ASN 97 -5.050 6.106 -20.518 683 2HD2 ASN 97 2HD2 ASN 97 -4.629 5.247 -19.074 684 H LYS 98 HN LYS 98 -5.318 0.849 -21.652 685 HA LYS 98 HA LYS 98 -2.991 1.190 -20.150 686 1HB LYS 98 2HB LYS 98 -5.038 -0.481 -19.981 687 2HB LYS 98 3HB LYS 98 -3.988 -1.534 -20.908 688 1HG LYS 98 2HG LYS 98 -2.986 -2.091 -18.947 689 2HG LYS 98 3HG LYS 98 -2.271 -0.491 -18.949 690 1HD LYS 98 2HD LYS 98 -3.352 -0.335 -16.918 691 2HD LYS 98 3HD LYS 98 -4.690 0.171 -17.929 692 1HE LYS 98 2HE LYS 98 -4.822 -2.655 -17.965 693 2HE LYS 98 3HE LYS 98 -4.406 -2.264 -16.308 694 1HZ LYS 98 1HZ LYS 98 -6.406 -1.412 -15.977 695 2HZ LYS 98 2HZ LYS 98 -6.416 -0.558 -17.368 696 3HZ LYS 98 3HZ LYS 98 -6.868 -2.127 -17.370 697 H GLU 99 HN GLU 99 -3.596 -0.065 -23.440 698 HA GLU 99 HA GLU 99 -1.060 -1.211 -23.727 699 1HB GLU 99 2HB GLU 99 -3.430 -0.701 -25.388 700 2HB GLU 99 3HB GLU 99 -1.948 -0.502 -26.301 701 1HG GLU 99 2HG GLU 99 -1.213 -2.740 -25.817 702 2HG GLU 99 3HG GLU 99 -2.377 -2.932 -24.521 703 H GLU 100 HN GLU 100 -2.418 2.055 -24.304 704 HA GLU 100 HA GLU 100 -0.150 2.971 -25.700 705 1HB GLU 100 2HB GLU 100 -2.477 4.379 -24.336 706 2HB GLU 100 3HB GLU 100 -1.204 5.266 -25.152 707 1HG GLU 100 2HG GLU 100 -1.866 3.332 -27.045 708 2HG GLU 100 3HG GLU 100 -3.419 3.658 -26.300 709 H LEU 101 HN LEU 101 -1.275 3.094 -22.276 710 HA LEU 101 HA LEU 101 0.727 4.800 -21.344 711 1HB LEU 101 2HB LEU 101 -1.272 2.951 -20.211 712 2HB LEU 101 3HB LEU 101 0.124 3.251 -19.195 713 HG LEU 101 HG LEU 101 -1.383 5.558 -20.406 714 1HD1 LEU 101 1HD1 LEU 101 -2.140 4.147 -17.832 715 2HD1 LEU 101 2HD1 LEU 101 -2.844 5.656 -18.461 716 3HD1 LEU 101 3HD1 LEU 101 -3.076 4.129 -19.346 717 1HD2 LEU 101 1HD2 LEU 101 -0.160 5.541 -17.678 718 2HD2 LEU 101 2HD2 LEU 101 0.911 5.605 -19.098 719 3HD2 LEU 101 3HD2 LEU 101 -0.323 6.865 -18.857 720 H LYS 102 HN LYS 102 0.609 1.259 -21.899 721 HA LYS 102 HA LYS 102 2.807 0.444 -20.533 722 1HB LYS 102 2HB LYS 102 1.340 -1.083 -21.699 723 2HB LYS 102 3HB LYS 102 1.801 -0.425 -23.256 724 1HG LYS 102 2HG LYS 102 4.187 -1.137 -22.806 725 2HG LYS 102 3HG LYS 102 3.656 -1.873 -21.307 726 1HD LYS 102 2HD LYS 102 2.446 -3.575 -22.404 727 2HD LYS 102 3HD LYS 102 2.237 -2.633 -23.867 728 1HE LYS 102 2HE LYS 102 4.197 -3.388 -24.764 729 2HE LYS 102 3HE LYS 102 5.085 -3.106 -23.281 730 1HZ LYS 102 1HZ LYS 102 4.949 -5.239 -22.823 731 2HZ LYS 102 2HZ LYS 102 3.319 -5.249 -22.935 732 3HZ LYS 102 3HZ LYS 102 4.231 -5.515 -24.263 733 H SER 103 HN SER 103 2.638 2.478 -23.436 734 HA SER 103 HA SER 103 5.453 2.204 -23.885 735 1HB SER 103 2HB SER 103 3.139 3.509 -25.259 736 2HB SER 103 3HB SER 103 4.696 4.277 -25.498 737 HG SER 103 HG SER 103 3.732 1.859 -26.500 738 H LEU 104 HN LEU 104 3.129 4.440 -22.361 739 HA LEU 104 HA LEU 104 5.066 6.537 -22.076 740 1HB LEU 104 2HB LEU 104 2.205 6.122 -21.589 741 2HB LEU 104 3HB LEU 104 2.989 7.101 -20.366 742 HG LEU 104 HG LEU 104 2.193 8.651 -21.912 743 1HD1 LEU 104 1HD1 LEU 104 4.781 8.652 -21.370 744 2HD1 LEU 104 2HD1 LEU 104 4.912 8.403 -23.128 745 3HD1 LEU 104 3HD1 LEU 104 4.062 9.832 -22.492 746 1HD2 LEU 104 1HD2 LEU 104 1.787 6.781 -23.656 747 2HD2 LEU 104 2HD2 LEU 104 2.072 8.445 -24.221 748 3HD2 LEU 104 3HD2 LEU 104 3.385 7.245 -24.290 749 H GLY 105 HN GLY 105 4.556 3.520 -20.610 750 1HA GLY 105 1HA GLY 105 5.089 4.204 -17.892 751 2HA GLY 105 2HA GLY 105 5.148 2.615 -18.627 752 H THR 106 HN THR 106 7.100 2.491 -17.090 753 HA THR 106 HA THR 106 9.300 2.382 -16.791 754 HB THR 106 HB THR 106 9.168 2.764 -19.821 755 HG1 THR 106 HG1 THR 106 8.452 0.714 -19.223 756 1HG2 THR 106 1HG2 THR 106 11.486 3.267 -18.467 757 2HG2 THR 106 2HG2 THR 106 11.541 1.488 -18.487 758 3HG2 THR 106 3HG2 THR 106 11.459 2.394 -20.017 759 H GLY 107 HN GLY 107 10.942 3.671 -16.041 760 1HA GLY 107 1HA GLY 107 10.416 6.456 -15.926 761 2HA GLY 107 2HA GLY 107 11.830 5.613 -15.323 762 H ALA 108 HN ALA 108 13.759 6.024 -16.317 763 HA ALA 108 HA ALA 108 15.232 6.757 -17.795 764 1HB ALA 108 1HB ALA 108 13.090 5.773 -19.715 765 2HB ALA 108 2HB ALA 108 14.695 6.334 -20.243 766 3HB ALA 108 3HB ALA 108 14.554 4.914 -19.179 767 HA PRO 109 HA PRO 109 13.176 10.747 -18.112 768 1HB PRO 109 2HB PRO 109 14.974 12.171 -16.627 769 2HB PRO 109 3HB PRO 109 13.527 11.453 -15.949 770 1HG PRO 109 2HG PRO 109 16.331 10.550 -15.707 771 2HG PRO 109 3HG PRO 109 14.950 10.118 -14.719 772 1HD PRO 109 2HD PRO 109 16.171 8.510 -16.756 773 2HD PRO 109 3HD PRO 109 14.722 8.129 -15.849 774 H VAL 110 HN VAL 110 13.778 12.818 -19.126 775 HA VAL 110 HA VAL 110 16.171 12.366 -20.771 776 HB VAL 110 HB VAL 110 15.021 13.400 -22.621 777 1HG1 VAL 110 1HG1 VAL 110 14.775 10.906 -22.087 778 2HG1 VAL 110 2HG1 VAL 110 13.130 11.304 -21.535 779 3HG1 VAL 110 3HG1 VAL 110 13.601 11.612 -23.223 780 1HG2 VAL 110 1HG2 VAL 110 13.316 14.460 -20.648 781 2HG2 VAL 110 2HG2 VAL 110 13.214 14.693 -22.410 782 3HG2 VAL 110 3HG2 VAL 110 12.300 13.379 -21.632 783 H ILE 111 HN ILE 111 17.388 14.275 -21.336 784 HA ILE 111 HA ILE 111 16.603 16.701 -19.927 785 HB ILE 111 HB ILE 111 17.951 15.663 -18.297 786 1HG1 ILE 111 2HG1 ILE 111 20.219 17.163 -18.867 787 2HG1 ILE 111 3HG1 ILE 111 18.960 17.985 -19.766 788 1HG2 ILE 111 1HG2 ILE 111 20.009 14.578 -18.636 789 2HG2 ILE 111 2HG2 ILE 111 18.953 13.996 -19.946 790 3HG2 ILE 111 3HG2 ILE 111 20.186 15.236 -20.281 791 1HD1 ILE 111 1HD1 ILE 111 19.364 18.613 -17.239 792 2HD1 ILE 111 2HD1 ILE 111 17.695 18.464 -17.838 793 3HD1 ILE 111 3HD1 ILE 111 18.428 17.135 -16.909 Start of MODEL 20 1 H ASP 8 HN ASP 8 1.884 0.000 0.829 2 HA ASP 8 HA ASP 8 1.341 0.230 -2.020 3 1HB ASP 8 2HB ASP 8 3.495 1.206 -0.188 4 2HB ASP 8 3HB ASP 8 4.047 0.661 -1.759 5 HA PRO 9 HA PRO 9 3.118 -3.946 -1.166 6 1HB PRO 9 2HB PRO 9 1.066 -5.488 -2.105 7 2HB PRO 9 3HB PRO 9 1.262 -5.081 -0.411 8 1HG PRO 9 2HG PRO 9 -0.667 -3.991 -2.369 9 2HG PRO 9 3HG PRO 9 -0.724 -3.925 -0.619 10 1HD PRO 9 2HD PRO 9 0.008 -1.794 -2.394 11 2HD PRO 9 3HD PRO 9 0.062 -1.765 -0.643 12 H ALA 10 HN ALA 10 4.418 -5.102 -2.520 13 HA ALA 10 HA ALA 10 3.943 -4.439 -5.346 14 1HB ALA 10 1HB ALA 10 6.555 -5.101 -5.293 15 2HB ALA 10 2HB ALA 10 5.980 -3.446 -4.978 16 3HB ALA 10 3HB ALA 10 6.383 -4.523 -3.619 17 H VAL 11 HN VAL 11 3.885 -6.868 -2.936 18 HA VAL 11 HA VAL 11 4.658 -9.002 -4.730 19 HB VAL 11 HB VAL 11 3.540 -9.083 -1.921 20 1HG1 VAL 11 1HG1 VAL 11 4.568 -11.329 -1.845 21 2HG1 VAL 11 2HG1 VAL 11 3.310 -11.209 -3.099 22 3HG1 VAL 11 3HG1 VAL 11 5.030 -11.165 -3.556 23 1HG2 VAL 11 1HG2 VAL 11 5.485 -8.069 -1.387 24 2HG2 VAL 11 2HG2 VAL 11 6.193 -9.677 -1.671 25 3HG2 VAL 11 3HG2 VAL 11 6.235 -8.446 -2.957 26 H ASP 12 HN ASP 12 1.750 -7.403 -3.435 27 HA ASP 12 HA ASP 12 -0.075 -9.367 -4.002 28 1HB ASP 12 2HB ASP 12 -0.170 -6.821 -2.991 29 2HB ASP 12 3HB ASP 12 -0.862 -6.532 -4.575 30 H ARG 13 HN ARG 13 1.428 -6.788 -6.025 31 HA ARG 13 HA ARG 13 -0.223 -6.957 -8.195 32 1HB ARG 13 2HB ARG 13 2.344 -5.794 -7.536 33 2HB ARG 13 3HB ARG 13 2.488 -6.547 -9.112 34 1HG ARG 13 2HG ARG 13 0.163 -5.338 -9.586 35 2HG ARG 13 3HG ARG 13 0.635 -4.316 -8.242 36 1HD ARG 13 2HD ARG 13 2.969 -4.240 -9.614 37 2HD ARG 13 3HD ARG 13 1.903 -4.587 -10.961 38 HE ARG 13 HE ARG 13 1.074 -2.409 -10.818 39 1HH1 ARG 13 2HH2 ARG 13 2.573 -3.253 -7.748 40 2HH1 ARG 13 1HH2 ARG 13 2.387 -1.668 -7.076 41 1HH2 ARG 13 2HH1 ARG 13 0.829 -0.318 -9.932 42 2HH2 ARG 13 1HH1 ARG 13 1.388 0.013 -8.326 43 H SER 14 HN SER 14 2.667 -8.904 -7.271 44 HA SER 14 HA SER 14 2.918 -10.257 -9.671 45 1HB SER 14 2HB SER 14 3.939 -10.493 -6.913 46 2HB SER 14 3HB SER 14 3.781 -12.050 -7.701 47 HG SER 14 HG SER 14 5.791 -10.390 -7.993 48 H LEU 15 HN LEU 15 0.942 -10.855 -6.725 49 HA LEU 15 HA LEU 15 0.060 -13.418 -7.568 50 1HB LEU 15 2HB LEU 15 -0.761 -11.471 -5.433 51 2HB LEU 15 3HB LEU 15 -1.707 -12.911 -5.752 52 HG LEU 15 HG LEU 15 1.154 -13.475 -5.432 53 1HD1 LEU 15 1HD1 LEU 15 1.534 -12.827 -3.263 54 2HD1 LEU 15 2HD1 LEU 15 0.582 -11.447 -3.861 55 3HD1 LEU 15 3HD1 LEU 15 -0.198 -12.706 -2.873 56 1HD2 LEU 15 1HD2 LEU 15 -0.001 -15.407 -5.285 57 2HD2 LEU 15 2HD2 LEU 15 -0.120 -14.955 -3.567 58 3HD2 LEU 15 3HD2 LEU 15 -1.472 -14.613 -4.673 59 H ARG 16 HN ARG 16 -0.578 -10.234 -8.642 60 HA ARG 16 HA ARG 16 -3.291 -10.820 -9.357 61 1HB ARG 16 2HB ARG 16 -1.525 -8.430 -9.282 62 2HB ARG 16 3HB ARG 16 -2.593 -8.454 -10.671 63 1HG ARG 16 2HG ARG 16 -4.555 -8.461 -9.335 64 2HG ARG 16 3HG ARG 16 -3.713 -9.068 -7.923 65 1HD ARG 16 2HD ARG 16 -3.941 -6.813 -7.341 66 2HD ARG 16 3HD ARG 16 -2.356 -6.786 -8.089 67 HE ARG 16 HE ARG 16 -4.596 -6.321 -9.947 68 1HH1 ARG 16 2HH2 ARG 16 -2.190 -4.860 -7.836 69 2HH1 ARG 16 1HH2 ARG 16 -2.254 -3.317 -8.619 70 1HH2 ARG 16 2HH1 ARG 16 -4.680 -4.285 -10.981 71 2HH2 ARG 16 1HH1 ARG 16 -3.679 -2.988 -10.421 72 H SER 17 HN SER 17 -0.657 -9.308 -11.346 73 HA SER 17 HA SER 17 -1.498 -9.950 -13.755 74 1HB SER 17 2HB SER 17 1.409 -10.264 -12.886 75 2HB SER 17 3HB SER 17 0.851 -9.917 -14.510 76 HG SER 17 HG SER 17 1.473 -8.140 -12.643 77 H VAL 18 HN VAL 18 -2.239 -11.833 -14.658 78 HA VAL 18 HA VAL 18 -0.928 -14.318 -13.797 79 HB VAL 18 HB VAL 18 -3.233 -15.166 -14.859 80 1HG1 VAL 18 1HG1 VAL 18 -2.987 -14.094 -12.028 81 2HG1 VAL 18 2HG1 VAL 18 -4.090 -15.372 -12.593 82 3HG1 VAL 18 3HG1 VAL 18 -2.332 -15.648 -12.597 83 1HG2 VAL 18 1HG2 VAL 18 -5.075 -13.729 -14.454 84 2HG2 VAL 18 2HG2 VAL 18 -4.070 -12.558 -13.567 85 3HG2 VAL 18 3HG2 VAL 18 -3.877 -12.743 -15.327 86 H PHE 19 HN PHE 19 0.220 -15.426 -15.302 87 HA PHE 19 HA PHE 19 0.370 -14.337 -17.940 88 1HB PHE 19 2HB PHE 19 2.406 -15.186 -16.966 89 2HB PHE 19 3HB PHE 19 1.599 -16.586 -16.288 90 HD1 PHE 19 HD1 PHE 19 3.414 -15.279 -19.103 91 HD2 PHE 19 HD2 PHE 19 0.900 -18.453 -17.830 92 HE1 PHE 19 HE1 PHE 19 4.170 -16.662 -21.056 93 HE2 PHE 19 HE2 PHE 19 1.657 -19.835 -19.784 94 HZ PHE 19 HZ PHE 19 3.283 -18.923 -21.374 95 H VAL 20 HN VAL 20 -0.637 -15.035 -19.782 96 HA VAL 20 HA VAL 20 -2.156 -17.541 -19.544 97 HB VAL 20 HB VAL 20 -2.844 -15.259 -21.379 98 1HG1 VAL 20 1HG1 VAL 20 -4.898 -16.299 -21.643 99 2HG1 VAL 20 2HG1 VAL 20 -3.807 -17.696 -21.480 100 3HG1 VAL 20 3HG1 VAL 20 -4.783 -17.162 -20.090 101 1HG2 VAL 20 1HG2 VAL 20 -3.420 -15.523 -18.435 102 2HG2 VAL 20 2HG2 VAL 20 -2.936 -14.089 -19.372 103 3HG2 VAL 20 3HG2 VAL 20 -4.592 -14.727 -19.514 104 H GLY 21 HN GLY 21 -1.801 -19.114 -21.070 105 1HA GLY 21 1HA GLY 21 -0.154 -18.369 -23.404 106 2HA GLY 21 2HA GLY 21 0.286 -19.722 -22.381 107 H ASN 22 HN ASN 22 0.011 -20.703 -24.724 108 HA ASN 22 HA ASN 22 -1.040 -22.117 -25.985 109 1HB ASN 22 2HB ASN 22 -2.698 -22.256 -23.477 110 2HB ASN 22 3HB ASN 22 -3.428 -22.939 -24.916 111 1HD2 ASN 22 1HD2 ASN 22 -3.300 -24.952 -23.788 112 2HD2 ASN 22 2HD2 ASN 22 -1.843 -25.889 -23.794 113 H ILE 23 HN ILE 23 -1.669 -19.126 -25.945 114 HA ILE 23 HA ILE 23 -4.421 -19.119 -26.912 115 HB ILE 23 HB ILE 23 -2.679 -16.700 -26.596 116 1HG1 ILE 23 2HG1 ILE 23 -4.222 -18.013 -24.340 117 2HG1 ILE 23 3HG1 ILE 23 -2.480 -18.081 -24.520 118 1HG2 ILE 23 1HG2 ILE 23 -4.621 -15.953 -27.500 119 2HG2 ILE 23 2HG2 ILE 23 -5.580 -17.305 -26.853 120 3HG2 ILE 23 3HG2 ILE 23 -5.116 -15.955 -25.790 121 1HD1 ILE 23 1HD1 ILE 23 -2.457 -16.163 -23.292 122 2HD1 ILE 23 2HD1 ILE 23 -2.977 -15.358 -24.791 123 3HD1 ILE 23 3HD1 ILE 23 -4.186 -15.857 -23.584 124 HA PRO 24 HA PRO 24 -2.677 -19.307 -30.922 125 1HB PRO 24 2HB PRO 24 -5.012 -19.756 -32.270 126 2HB PRO 24 3HB PRO 24 -4.053 -21.040 -31.560 127 1HG PRO 24 2HG PRO 24 -6.594 -19.876 -30.598 128 2HG PRO 24 3HG PRO 24 -5.853 -21.404 -30.165 129 1HD PRO 24 2HD PRO 24 -5.885 -19.006 -28.592 130 2HD PRO 24 3HD PRO 24 -5.046 -20.497 -28.213 131 H TYR 25 HN TYR 25 -3.163 -18.283 -33.164 132 HA TYR 25 HA TYR 25 -3.270 -15.489 -32.621 133 1HB TYR 25 2HB TYR 25 -3.128 -17.383 -35.026 134 2HB TYR 25 3HB TYR 25 -3.299 -15.661 -35.301 135 HD1 TYR 25 HD1 TYR 25 -1.244 -17.554 -32.795 136 HD2 TYR 25 HD2 TYR 25 -1.272 -14.877 -36.133 137 HE1 TYR 25 HE1 TYR 25 1.275 -17.267 -32.596 138 HE2 TYR 25 HE2 TYR 25 1.246 -14.599 -35.922 139 HH TYR 25 HH TYR 25 3.161 -16.612 -34.423 140 H GLU 26 HN GLU 26 -5.704 -17.810 -32.842 141 HA GLU 26 HA GLU 26 -7.507 -16.091 -34.295 142 1HB GLU 26 2HB GLU 26 -7.288 -18.913 -33.841 143 2HB GLU 26 3HB GLU 26 -8.809 -18.402 -33.137 144 1HG GLU 26 2HG GLU 26 -9.596 -18.611 -35.280 145 2HG GLU 26 3HG GLU 26 -8.912 -17.012 -35.491 146 H ALA 27 HN ALA 27 -6.356 -16.442 -31.125 147 HA ALA 27 HA ALA 27 -8.842 -15.285 -30.059 148 1HB ALA 27 1HB ALA 27 -8.716 -17.354 -28.979 149 2HB ALA 27 2HB ALA 27 -6.936 -17.343 -28.944 150 3HB ALA 27 3HB ALA 27 -7.854 -16.289 -27.842 151 H THR 28 HN THR 28 -8.467 -13.113 -29.983 152 HA THR 28 HA THR 28 -5.783 -12.220 -29.232 153 HB THR 28 HB THR 28 -6.898 -9.967 -29.973 154 HG1 THR 28 HG1 THR 28 -9.064 -11.144 -29.756 155 1HG2 THR 28 1HG2 THR 28 -5.427 -10.927 -31.613 156 2HG2 THR 28 2HG2 THR 28 -6.476 -12.348 -31.833 157 3HG2 THR 28 3HG2 THR 28 -6.982 -10.761 -32.463 158 H GLU 29 HN GLU 29 -5.938 -9.995 -27.914 159 HA GLU 29 HA GLU 29 -6.605 -10.752 -25.373 160 1HB GLU 29 2HB GLU 29 -5.896 -8.183 -26.733 161 2HB GLU 29 3HB GLU 29 -6.641 -8.034 -25.154 162 1HG GLU 29 2HG GLU 29 -4.925 -9.687 -24.258 163 2HG GLU 29 3HG GLU 29 -4.138 -9.651 -25.824 164 H GLU 30 HN GLU 30 -8.596 -9.380 -27.944 165 HA GLU 30 HA GLU 30 -10.583 -8.254 -26.401 166 1HB GLU 30 2HB GLU 30 -10.093 -8.747 -29.146 167 2HB GLU 30 3HB GLU 30 -11.632 -9.520 -28.819 168 1HG GLU 30 2HG GLU 30 -12.478 -7.403 -27.787 169 2HG GLU 30 3HG GLU 30 -10.939 -6.629 -28.111 170 H GLN 31 HN GLN 31 -9.878 -11.635 -27.268 171 HA GLN 31 HA GLN 31 -12.424 -12.477 -26.220 172 1HB GLN 31 2HB GLN 31 -12.114 -14.334 -27.488 173 2HB GLN 31 3HB GLN 31 -10.779 -13.464 -28.216 174 1HG GLN 31 2HG GLN 31 -9.169 -14.485 -26.717 175 2HG GLN 31 3HG GLN 31 -10.432 -15.124 -25.684 176 1HE2 GLN 31 1HE2 GLN 31 -9.379 -17.159 -25.988 177 2HE2 GLN 31 2HE2 GLN 31 -9.702 -18.131 -27.385 178 H LEU 32 HN LEU 32 -8.894 -12.744 -25.489 179 HA LEU 32 HA LEU 32 -9.114 -14.387 -23.270 180 1HB LEU 32 2HB LEU 32 -7.110 -12.267 -24.036 181 2HB LEU 32 3HB LEU 32 -6.923 -13.289 -22.625 182 HG LEU 32 HG LEU 32 -5.767 -14.630 -23.989 183 1HD1 LEU 32 1HD1 LEU 32 -8.558 -15.256 -24.980 184 2HD1 LEU 32 2HD1 LEU 32 -7.123 -16.251 -25.325 185 3HD1 LEU 32 3HD1 LEU 32 -7.674 -16.034 -23.646 186 1HD2 LEU 32 1HD2 LEU 32 -6.436 -12.669 -25.854 187 2HD2 LEU 32 2HD2 LEU 32 -5.235 -13.969 -26.043 188 3HD2 LEU 32 3HD2 LEU 32 -6.900 -14.203 -26.628 189 H LYS 33 HN LYS 33 -9.194 -10.775 -23.531 190 HA LYS 33 HA LYS 33 -9.470 -10.332 -20.788 191 1HB LYS 33 2HB LYS 33 -8.937 -8.748 -22.843 192 2HB LYS 33 3HB LYS 33 -10.667 -8.472 -22.811 193 1HG LYS 33 2HG LYS 33 -10.614 -7.423 -20.732 194 2HG LYS 33 3HG LYS 33 -9.246 -8.361 -20.167 195 1HD LYS 33 2HD LYS 33 -7.956 -6.545 -20.614 196 2HD LYS 33 3HD LYS 33 -8.168 -6.916 -22.313 197 1HE LYS 33 2HE LYS 33 -10.455 -5.445 -21.098 198 2HE LYS 33 3HE LYS 33 -8.949 -4.548 -21.100 199 1HZ LYS 33 1HZ LYS 33 -10.467 -5.553 -23.364 200 2HZ LYS 33 2HZ LYS 33 -9.779 -4.088 -23.148 201 3HZ LYS 33 3HZ LYS 33 -8.852 -5.377 -23.527 202 H ASP 34 HN ASP 34 -11.820 -11.067 -23.389 203 HA ASP 34 HA ASP 34 -14.083 -10.438 -21.919 204 1HB ASP 34 2HB ASP 34 -13.538 -11.310 -24.485 205 2HB ASP 34 3HB ASP 34 -14.261 -12.750 -23.798 206 H ILE 35 HN ILE 35 -12.057 -13.399 -22.272 207 HA ILE 35 HA ILE 35 -13.811 -15.112 -20.870 208 HB ILE 35 HB ILE 35 -10.864 -15.282 -21.499 209 1HG1 ILE 35 2HG1 ILE 35 -13.083 -16.834 -22.819 210 2HG1 ILE 35 3HG1 ILE 35 -12.690 -15.212 -23.354 211 1HG2 ILE 35 1HG2 ILE 35 -11.608 -16.645 -19.499 212 2HG2 ILE 35 2HG2 ILE 35 -12.645 -17.560 -20.620 213 3HG2 ILE 35 3HG2 ILE 35 -10.880 -17.555 -20.845 214 1HD1 ILE 35 1HD1 ILE 35 -10.220 -16.035 -23.469 215 2HD1 ILE 35 2HD1 ILE 35 -10.909 -17.673 -23.357 216 3HD1 ILE 35 3HD1 ILE 35 -11.344 -16.616 -24.721 217 H PHE 36 HN PHE 36 -10.915 -13.158 -19.936 218 HA PHE 36 HA PHE 36 -10.929 -14.036 -17.264 219 1HB PHE 36 2HB PHE 36 -9.764 -11.822 -18.976 220 2HB PHE 36 3HB PHE 36 -9.706 -11.571 -17.242 221 HD1 PHE 36 HD1 PHE 36 -9.192 -14.616 -19.348 222 HD2 PHE 36 HD2 PHE 36 -7.552 -11.925 -16.506 223 HE1 PHE 36 HE1 PHE 36 -7.117 -16.022 -19.214 224 HE2 PHE 36 HE2 PHE 36 -5.477 -13.331 -16.372 225 HZ PHE 36 HZ PHE 36 -5.284 -15.363 -17.728 226 H SER 37 HN SER 37 -12.702 -11.527 -19.046 227 HA SER 37 HA SER 37 -13.364 -9.953 -16.860 228 1HB SER 37 2HB SER 37 -14.998 -8.937 -18.312 229 2HB SER 37 3HB SER 37 -13.615 -9.349 -19.306 230 HG SER 37 HG SER 37 -16.150 -10.717 -19.125 231 H GLU 38 HN GLU 38 -14.692 -12.985 -18.191 232 HA GLU 38 HA GLU 38 -17.140 -12.889 -16.882 233 1HB GLU 38 2HB GLU 38 -17.463 -15.003 -17.755 234 2HB GLU 38 3HB GLU 38 -16.125 -14.495 -18.766 235 1HG GLU 38 2HG GLU 38 -14.591 -15.527 -16.906 236 2HG GLU 38 3HG GLU 38 -16.047 -16.317 -16.334 237 H VAL 39 HN VAL 39 -13.984 -13.085 -15.621 238 HA VAL 39 HA VAL 39 -14.876 -14.585 -13.271 239 HB VAL 39 HB VAL 39 -12.222 -13.956 -14.514 240 1HG1 VAL 39 1HG1 VAL 39 -11.051 -14.710 -12.515 241 2HG1 VAL 39 2HG1 VAL 39 -12.040 -13.278 -12.139 242 3HG1 VAL 39 3HG1 VAL 39 -12.596 -14.897 -11.650 243 1HG2 VAL 39 1HG2 VAL 39 -12.662 -16.047 -15.232 244 2HG2 VAL 39 2HG2 VAL 39 -12.156 -16.535 -13.597 245 3HG2 VAL 39 3HG2 VAL 39 -13.885 -16.332 -13.971 246 H GLY 40 HN GLY 40 -14.570 -11.421 -14.508 247 1HA GLY 40 1HA GLY 40 -15.542 -9.971 -12.547 248 2HA GLY 40 2HA GLY 40 -13.926 -10.222 -11.917 249 HA PRO 41 HA PRO 41 -13.677 -6.627 -14.665 250 1HB PRO 41 2HB PRO 41 -12.524 -4.897 -12.891 251 2HB PRO 41 3HB PRO 41 -14.254 -4.985 -13.158 252 1HG PRO 41 2HG PRO 41 -12.677 -5.999 -10.872 253 2HG PRO 41 3HG PRO 41 -14.400 -5.695 -10.968 254 1HD PRO 41 2HD PRO 41 -13.100 -8.249 -11.080 255 2HD PRO 41 3HD PRO 41 -14.811 -7.934 -11.292 256 H VAL 42 HN VAL 42 -12.079 -6.239 -16.099 257 HA VAL 42 HA VAL 42 -9.498 -7.338 -15.240 258 HB VAL 42 HB VAL 42 -10.776 -6.987 -17.955 259 1HG1 VAL 42 1HG1 VAL 42 -8.469 -8.476 -18.330 260 2HG1 VAL 42 2HG1 VAL 42 -8.699 -6.767 -18.770 261 3HG1 VAL 42 3HG1 VAL 42 -7.950 -7.192 -17.212 262 1HG2 VAL 42 1HG2 VAL 42 -9.856 -9.494 -16.510 263 2HG2 VAL 42 2HG2 VAL 42 -11.538 -8.917 -16.578 264 3HG2 VAL 42 3HG2 VAL 42 -10.704 -9.406 -18.072 265 H VAL 43 HN VAL 43 -7.877 -5.931 -14.827 266 HA VAL 43 HA VAL 43 -8.305 -3.151 -15.254 267 HB VAL 43 HB VAL 43 -6.199 -4.902 -14.065 268 1HG1 VAL 43 1HG1 VAL 43 -4.580 -3.559 -14.904 269 2HG1 VAL 43 2HG1 VAL 43 -5.716 -2.240 -15.277 270 3HG1 VAL 43 3HG1 VAL 43 -5.113 -2.452 -13.616 271 1HG2 VAL 43 1HG2 VAL 43 -7.133 -2.409 -12.754 272 2HG2 VAL 43 2HG2 VAL 43 -8.372 -3.659 -13.023 273 3HG2 VAL 43 3HG2 VAL 43 -6.906 -4.045 -12.090 274 H SER 44 HN SER 44 -5.460 -5.164 -16.266 275 HA SER 44 HA SER 44 -5.745 -3.983 -18.901 276 1HB SER 44 2HB SER 44 -3.772 -3.194 -17.008 277 2HB SER 44 3HB SER 44 -2.930 -4.202 -18.169 278 HG SER 44 HG SER 44 -2.875 -2.384 -19.320 279 H PHE 45 HN PHE 45 -3.911 -5.123 -20.401 280 HA PHE 45 HA PHE 45 -3.138 -7.727 -19.614 281 1HB PHE 45 2HB PHE 45 -5.756 -7.698 -20.142 282 2HB PHE 45 3HB PHE 45 -5.258 -7.525 -21.814 283 HD1 PHE 45 HD1 PHE 45 -6.878 -9.805 -20.743 284 HD2 PHE 45 HD2 PHE 45 -2.684 -9.337 -21.187 285 HE1 PHE 45 HE1 PHE 45 -6.619 -12.295 -20.925 286 HE2 PHE 45 HE2 PHE 45 -2.425 -11.827 -21.368 287 HZ PHE 45 HZ PHE 45 -4.396 -13.276 -21.235 288 H ARG 46 HN ARG 46 -1.170 -7.791 -20.587 289 HA ARG 46 HA ARG 46 -1.125 -7.024 -23.387 290 1HB ARG 46 2HB ARG 46 0.548 -5.982 -21.127 291 2HB ARG 46 3HB ARG 46 1.421 -6.351 -22.601 292 1HG ARG 46 2HG ARG 46 0.796 -4.143 -23.028 293 2HG ARG 46 3HG ARG 46 -0.538 -4.996 -23.778 294 1HD ARG 46 2HD ARG 46 -1.648 -4.812 -21.365 295 2HD ARG 46 3HD ARG 46 -0.486 -3.521 -21.131 296 HE ARG 46 HE ARG 46 -2.803 -3.488 -22.939 297 1HH1 ARG 46 2HH2 ARG 46 0.296 -2.013 -22.162 298 2HH1 ARG 46 1HH2 ARG 46 -0.071 -0.519 -22.959 299 1HH2 ARG 46 2HH1 ARG 46 -3.287 -1.518 -23.991 300 2HH2 ARG 46 1HH1 ARG 46 -2.123 -0.236 -24.006 301 H LEU 47 HN LEU 47 0.129 -8.407 -24.715 302 HA LEU 47 HA LEU 47 1.387 -10.645 -23.287 303 1HB LEU 47 2HB LEU 47 0.503 -10.851 -26.128 304 2HB LEU 47 3HB LEU 47 0.668 -12.098 -24.908 305 HG LEU 47 HG LEU 47 -1.371 -10.268 -24.057 306 1HD1 LEU 47 1HD1 LEU 47 -2.160 -9.531 -26.024 307 2HD1 LEU 47 2HD1 LEU 47 -1.324 -10.795 -26.956 308 3HD1 LEU 47 3HD1 LEU 47 -2.869 -11.158 -26.151 309 1HD2 LEU 47 1HD2 LEU 47 -2.702 -12.538 -24.634 310 2HD2 LEU 47 2HD2 LEU 47 -1.035 -13.162 -24.602 311 3HD2 LEU 47 3HD2 LEU 47 -1.698 -12.322 -23.179 312 H VAL 48 HN VAL 48 3.051 -11.755 -25.012 313 HA VAL 48 HA VAL 48 4.959 -9.622 -25.501 314 HB VAL 48 HB VAL 48 6.439 -11.661 -25.975 315 1HG1 VAL 48 1HG1 VAL 48 6.162 -12.212 -23.302 316 2HG1 VAL 48 2HG1 VAL 48 7.072 -10.838 -23.976 317 3HG1 VAL 48 3HG1 VAL 48 5.394 -10.611 -23.426 318 1HG2 VAL 48 1HG2 VAL 48 5.698 -13.776 -25.662 319 2HG2 VAL 48 2HG2 VAL 48 4.622 -13.315 -24.320 320 3HG2 VAL 48 3HG2 VAL 48 4.106 -13.057 -26.004 321 H TYR 49 HN TYR 49 5.259 -8.736 -27.477 322 HA TYR 49 HA TYR 49 4.451 -10.360 -29.793 323 1HB TYR 49 2HB TYR 49 3.627 -7.703 -28.730 324 2HB TYR 49 3HB TYR 49 4.210 -7.574 -30.377 325 HD1 TYR 49 HD1 TYR 49 1.495 -8.676 -28.235 326 HD2 TYR 49 HD2 TYR 49 3.077 -8.879 -32.205 327 HE1 TYR 49 HE1 TYR 49 -0.763 -9.458 -29.103 328 HE2 TYR 49 HE2 TYR 49 0.813 -9.660 -33.059 329 HH TYR 49 HH TYR 49 -1.842 -10.295 -30.808 330 H ASP 50 HN ASP 50 6.152 -10.754 -31.111 331 HA ASP 50 HA ASP 50 8.581 -9.423 -30.705 332 1HB ASP 50 2HB ASP 50 7.488 -11.455 -32.640 333 2HB ASP 50 3HB ASP 50 8.965 -10.632 -33.101 334 H ARG 51 HN ARG 51 8.863 -7.281 -31.368 335 HA ARG 51 HA ARG 51 7.243 -6.186 -33.383 336 1HB ARG 51 2HB ARG 51 9.666 -5.192 -31.827 337 2HB ARG 51 3HB ARG 51 8.959 -4.215 -33.099 338 1HG ARG 51 2HG ARG 51 6.746 -4.298 -31.944 339 2HG ARG 51 3HG ARG 51 7.436 -5.297 -30.680 340 1HD ARG 51 2HD ARG 51 8.549 -2.538 -31.362 341 2HD ARG 51 3HD ARG 51 7.271 -2.766 -30.184 342 HE ARG 51 HE ARG 51 10.089 -3.387 -29.818 343 1HH1 ARG 51 2HH2 ARG 51 6.843 -4.317 -28.829 344 2HH1 ARG 51 1HH2 ARG 51 7.357 -4.981 -27.314 345 1HH2 ARG 51 2HH1 ARG 51 10.768 -4.262 -27.820 346 2HH2 ARG 51 1HH1 ARG 51 9.605 -4.949 -26.736 347 H GLU 52 HN GLU 52 10.495 -7.624 -33.210 348 HA GLU 52 HA GLU 52 11.374 -6.573 -35.669 349 1HB GLU 52 2HB GLU 52 12.327 -8.664 -33.728 350 2HB GLU 52 3HB GLU 52 12.997 -8.700 -35.347 351 1HG GLU 52 2HG GLU 52 13.611 -6.264 -35.118 352 2HG GLU 52 3HG GLU 52 13.002 -6.285 -33.475 353 H THR 53 HN THR 53 9.527 -9.436 -34.640 354 HA THR 53 HA THR 53 9.571 -10.423 -37.410 355 HB THR 53 HB THR 53 8.857 -11.759 -34.746 356 HG1 THR 53 HG1 THR 53 11.116 -11.572 -34.977 357 1HG2 THR 53 1HG2 THR 53 8.029 -13.506 -35.960 358 2HG2 THR 53 2HG2 THR 53 8.167 -12.518 -37.434 359 3HG2 THR 53 3HG2 THR 53 9.523 -13.554 -36.927 360 H GLY 54 HN GLY 54 7.810 -8.387 -35.437 361 1HA GLY 54 1HA GLY 54 5.671 -7.681 -35.416 362 2HA GLY 54 2HA GLY 54 5.697 -8.043 -37.130 363 H LYS 55 HN LYS 55 6.273 -10.706 -34.894 364 HA LYS 55 HA LYS 55 3.518 -11.610 -35.372 365 1HB LYS 55 2HB LYS 55 6.133 -13.112 -35.498 366 2HB LYS 55 3HB LYS 55 4.619 -13.945 -35.206 367 1HG LYS 55 2HG LYS 55 5.276 -12.184 -37.614 368 2HG LYS 55 3HG LYS 55 5.118 -13.930 -37.620 369 1HD LYS 55 2HD LYS 55 2.697 -13.183 -36.508 370 2HD LYS 55 3HD LYS 55 2.999 -11.837 -37.589 371 1HE LYS 55 2HE LYS 55 3.532 -13.645 -39.398 372 2HE LYS 55 3HE LYS 55 2.787 -14.789 -38.300 373 1HZ LYS 55 1HZ LYS 55 1.132 -13.983 -39.733 374 2HZ LYS 55 2HZ LYS 55 0.838 -13.284 -38.287 375 3HZ LYS 55 3HZ LYS 55 1.531 -12.419 -39.487 376 HA PRO 56 HA PRO 56 3.249 -11.861 -31.068 377 1HB PRO 56 2HB PRO 56 1.063 -13.479 -30.802 378 2HB PRO 56 3HB PRO 56 0.950 -11.764 -31.141 379 1HG PRO 56 2HG PRO 56 0.534 -14.046 -32.973 380 2HG PRO 56 3HG PRO 56 0.023 -12.380 -33.161 381 1HD PRO 56 2HD PRO 56 2.235 -13.655 -34.469 382 2HD PRO 56 3HD PRO 56 1.794 -11.962 -34.566 383 H LYS 57 HN LYS 57 4.084 -12.921 -29.326 384 HA LYS 57 HA LYS 57 5.608 -15.182 -29.932 385 1HB LYS 57 2HB LYS 57 5.135 -13.427 -27.678 386 2HB LYS 57 3HB LYS 57 5.215 -15.093 -27.142 387 1HG LYS 57 2HG LYS 57 7.280 -13.946 -29.063 388 2HG LYS 57 3HG LYS 57 7.452 -13.769 -27.328 389 1HD LYS 57 2HD LYS 57 8.253 -15.881 -27.152 390 2HD LYS 57 3HD LYS 57 6.792 -16.528 -27.872 391 1HE LYS 57 2HE LYS 57 7.756 -15.977 -30.165 392 2HE LYS 57 3HE LYS 57 9.248 -15.508 -29.376 393 1HZ LYS 57 1HZ LYS 57 9.293 -17.791 -30.104 394 2HZ LYS 57 2HZ LYS 57 9.413 -17.721 -28.476 395 3HZ LYS 57 3HZ LYS 57 8.003 -18.163 -29.174 396 H GLY 58 HN GLY 58 2.563 -14.853 -27.973 397 1HA GLY 58 1HA GLY 58 0.910 -16.628 -28.793 398 2HA GLY 58 2HA GLY 58 2.161 -17.754 -28.305 399 H TYR 59 HN TYR 59 2.958 -15.705 -26.078 400 HA TYR 59 HA TYR 59 0.714 -16.319 -24.276 401 1HB TYR 59 2HB TYR 59 2.552 -16.692 -22.575 402 2HB TYR 59 3HB TYR 59 2.727 -17.787 -23.932 403 HD1 TYR 59 HD1 TYR 59 4.139 -14.860 -22.218 404 HD2 TYR 59 HD2 TYR 59 4.565 -17.532 -25.532 405 HE1 TYR 59 HE1 TYR 59 6.519 -14.041 -22.582 406 HE2 TYR 59 HE2 TYR 59 6.943 -16.704 -25.885 407 HH TYR 59 HH TYR 59 8.668 -15.187 -23.675 408 H GLY 60 HN GLY 60 0.517 -14.849 -22.404 409 1HA GLY 60 1HA GLY 60 2.002 -12.357 -22.518 410 2HA GLY 60 2HA GLY 60 0.307 -12.238 -22.948 411 H PHE 61 HN PHE 61 0.496 -10.774 -20.900 412 HA PHE 61 HA PHE 61 -0.196 -12.462 -18.608 413 1HB PHE 61 2HB PHE 61 1.436 -9.852 -18.669 414 2HB PHE 61 3HB PHE 61 1.036 -10.745 -17.215 415 HD1 PHE 61 HD1 PHE 61 3.092 -10.749 -20.259 416 HD2 PHE 61 HD2 PHE 61 2.255 -12.723 -16.597 417 HE1 PHE 61 HE1 PHE 61 5.208 -12.079 -20.492 418 HE2 PHE 61 HE2 PHE 61 4.371 -14.052 -16.829 419 HZ PHE 61 HZ PHE 61 5.822 -13.714 -18.774 420 H CYS 62 HN CYS 62 -1.978 -11.777 -17.421 421 HA CYS 62 HA CYS 62 -3.227 -9.323 -18.422 422 1HB CYS 62 2HB CYS 62 -4.444 -11.460 -18.933 423 2HB CYS 62 3HB CYS 62 -4.631 -11.725 -17.211 424 HG CYS 62 HG CYS 62 -6.847 -10.758 -18.367 425 H GLU 63 HN GLU 63 -3.388 -7.682 -16.923 426 HA GLU 63 HA GLU 63 -2.798 -8.410 -14.177 427 1HB GLU 63 2HB GLU 63 -2.718 -5.704 -14.135 428 2HB GLU 63 3HB GLU 63 -1.340 -6.688 -14.587 429 1HG GLU 63 2HG GLU 63 -3.365 -5.792 -16.671 430 2HG GLU 63 3HG GLU 63 -2.054 -4.737 -16.182 431 H TYR 64 HN TYR 64 -4.368 -8.351 -12.612 432 HA TYR 64 HA TYR 64 -6.989 -7.373 -13.431 433 1HB TYR 64 2HB TYR 64 -5.712 -9.314 -11.515 434 2HB TYR 64 3HB TYR 64 -7.120 -8.499 -10.864 435 HD1 TYR 64 HD1 TYR 64 -5.942 -11.127 -13.024 436 HD2 TYR 64 HD2 TYR 64 -9.327 -8.663 -12.145 437 HE1 TYR 64 HE1 TYR 64 -7.461 -12.773 -14.228 438 HE2 TYR 64 HE2 TYR 64 -10.835 -10.317 -13.352 439 HH TYR 64 HH TYR 64 -10.349 -12.083 -15.329 440 H GLN 65 HN GLN 65 -8.125 -6.828 -10.930 441 HA GLN 65 HA GLN 65 -6.572 -4.482 -10.159 442 1HB GLN 65 2HB GLN 65 -9.075 -4.487 -11.285 443 2HB GLN 65 3HB GLN 65 -9.499 -4.520 -9.584 444 1HG GLN 65 2HG GLN 65 -8.260 -2.488 -9.135 445 2HG GLN 65 3HG GLN 65 -7.468 -2.540 -10.698 446 1HE2 GLN 65 1HE2 GLN 65 -9.536 -0.801 -9.100 447 2HE2 GLN 65 2HE2 GLN 65 -10.696 -0.340 -10.301 448 H ASP 66 HN ASP 66 -7.840 -7.527 -9.189 449 HA ASP 66 HA ASP 66 -7.224 -6.831 -6.443 450 1HB ASP 66 2HB ASP 66 -9.390 -8.833 -6.736 451 2HB ASP 66 3HB ASP 66 -9.249 -7.508 -5.598 452 H GLN 67 HN GLN 67 -6.040 -8.513 -5.406 453 HA GLN 67 HA GLN 67 -4.839 -10.408 -6.988 454 1HB GLN 67 2HB GLN 67 -4.098 -9.469 -4.710 455 2HB GLN 67 3HB GLN 67 -5.187 -10.626 -3.971 456 1HG GLN 67 2HG GLN 67 -3.950 -12.424 -5.414 457 2HG GLN 67 3HG GLN 67 -2.728 -11.194 -5.669 458 1HE2 GLN 67 1HE2 GLN 67 -1.912 -10.084 -3.690 459 2HE2 GLN 67 2HE2 GLN 67 -1.624 -11.038 -2.273 460 H GLU 68 HN GLU 68 -7.776 -10.570 -4.933 461 HA GLU 68 HA GLU 68 -8.044 -13.330 -4.997 462 1HB GLU 68 2HB GLU 68 -9.277 -11.994 -3.389 463 2HB GLU 68 3HB GLU 68 -10.078 -11.090 -4.659 464 1HG GLU 68 2HG GLU 68 -11.036 -13.371 -5.460 465 2HG GLU 68 3HG GLU 68 -10.476 -14.020 -3.931 466 H THR 69 HN THR 69 -9.046 -10.732 -7.254 467 HA THR 69 HA THR 69 -10.706 -12.381 -8.854 468 HB THR 69 HB THR 69 -9.241 -9.880 -9.781 469 HG1 THR 69 HG1 THR 69 -11.175 -8.894 -8.545 470 1HG2 THR 69 1HG2 THR 69 -12.200 -10.142 -9.943 471 2HG2 THR 69 2HG2 THR 69 -11.043 -9.628 -11.194 472 3HG2 THR 69 3HG2 THR 69 -11.319 -11.361 -10.894 473 H ALA 70 HN ALA 70 -7.224 -11.482 -8.972 474 HA ALA 70 HA ALA 70 -6.775 -12.757 -11.451 475 1HB ALA 70 1HB ALA 70 -4.330 -12.685 -10.374 476 2HB ALA 70 2HB ALA 70 -5.139 -11.208 -10.951 477 3HB ALA 70 3HB ALA 70 -5.140 -11.604 -9.216 478 H LEU 71 HN LEU 71 -6.630 -13.777 -8.006 479 HA LEU 71 HA LEU 71 -5.457 -16.288 -8.573 480 1HB LEU 71 2HB LEU 71 -6.642 -14.894 -6.246 481 2HB LEU 71 3HB LEU 71 -6.671 -16.645 -6.189 482 HG LEU 71 HG LEU 71 -4.157 -15.031 -6.686 483 1HD1 LEU 71 1HD1 LEU 71 -3.581 -15.352 -4.358 484 2HD1 LEU 71 2HD1 LEU 71 -5.134 -14.492 -4.481 485 3HD1 LEU 71 3HD1 LEU 71 -5.106 -16.223 -4.066 486 1HD2 LEU 71 1HD2 LEU 71 -4.703 -17.953 -6.170 487 2HD2 LEU 71 2HD2 LEU 71 -3.804 -17.198 -7.508 488 3HD2 LEU 71 3HD2 LEU 71 -3.109 -17.220 -5.869 489 H SER 72 HN SER 72 -8.828 -15.073 -8.214 490 HA SER 72 HA SER 72 -10.004 -17.588 -8.310 491 1HB SER 72 2HB SER 72 -10.931 -14.757 -8.772 492 2HB SER 72 3HB SER 72 -11.999 -16.062 -9.246 493 HG SER 72 HG SER 72 -10.828 -16.262 -6.665 494 H ALA 73 HN ALA 73 -8.962 -15.247 -10.822 495 HA ALA 73 HA ALA 73 -10.255 -16.523 -12.977 496 1HB ALA 73 1HB ALA 73 -9.213 -14.902 -14.256 497 2HB ALA 73 2HB ALA 73 -9.115 -14.135 -12.653 498 3HB ALA 73 3HB ALA 73 -7.700 -14.982 -13.322 499 H MET 74 HN MET 74 -7.066 -16.898 -11.368 500 HA MET 74 HA MET 74 -5.957 -18.539 -13.312 501 1HB MET 74 2HB MET 74 -5.316 -17.504 -10.693 502 2HB MET 74 3HB MET 74 -5.047 -19.234 -10.626 503 1HG MET 74 2HG MET 74 -3.952 -18.422 -13.120 504 2HG MET 74 3HG MET 74 -3.470 -17.174 -11.989 505 1HE MET 74 1HE MET 74 -3.194 -17.884 -9.579 506 2HE MET 74 2HE MET 74 -2.455 -19.399 -9.010 507 3HE MET 74 3HE MET 74 -1.430 -18.102 -9.669 508 H ARG 75 HN ARG 75 -7.801 -19.286 -10.286 509 HA ARG 75 HA ARG 75 -7.578 -22.068 -10.741 510 1HB ARG 75 2HB ARG 75 -7.887 -20.847 -8.474 511 2HB ARG 75 3HB ARG 75 -9.575 -20.660 -8.908 512 1HG ARG 75 2HG ARG 75 -9.115 -23.371 -9.416 513 2HG ARG 75 3HG ARG 75 -8.124 -23.076 -8.001 514 1HD ARG 75 2HD ARG 75 -10.062 -23.385 -6.822 515 2HD ARG 75 3HD ARG 75 -10.437 -21.739 -7.294 516 HE ARG 75 HE ARG 75 -12.075 -22.556 -8.750 517 1HH1 ARG 75 2HH2 ARG 75 -9.874 -25.172 -7.918 518 2HH1 ARG 75 1HH2 ARG 75 -10.820 -26.390 -8.707 519 1HH2 ARG 75 2HH1 ARG 75 -13.324 -24.163 -9.791 520 2HH2 ARG 75 1HH1 ARG 75 -12.795 -25.812 -9.779 521 H ASN 76 HN ASN 76 -9.756 -19.465 -11.687 522 HA ASN 76 HA ASN 76 -11.991 -21.115 -12.160 523 1HB ASN 76 2HB ASN 76 -11.178 -18.281 -12.862 524 2HB ASN 76 3HB ASN 76 -12.546 -18.980 -13.704 525 1HD2 ASN 76 1HD2 ASN 76 -12.249 -16.811 -11.670 526 2HD2 ASN 76 2HD2 ASN 76 -13.374 -17.180 -10.405 527 H LEU 77 HN LEU 77 -9.152 -19.913 -13.995 528 HA LEU 77 HA LEU 77 -10.152 -21.262 -16.395 529 1HB LEU 77 2HB LEU 77 -8.045 -19.137 -16.001 530 2HB LEU 77 3HB LEU 77 -8.325 -19.963 -17.521 531 HG LEU 77 HG LEU 77 -10.787 -19.127 -17.244 532 1HD1 LEU 77 1HD1 LEU 77 -10.473 -18.337 -14.915 533 2HD1 LEU 77 2HD1 LEU 77 -9.353 -17.092 -15.517 534 3HD1 LEU 77 3HD1 LEU 77 -11.061 -17.069 -16.017 535 1HD2 LEU 77 1HD2 LEU 77 -10.027 -16.849 -18.222 536 2HD2 LEU 77 2HD2 LEU 77 -8.387 -17.533 -18.108 537 3HD2 LEU 77 3HD2 LEU 77 -9.625 -18.348 -19.094 538 H ASN 78 HN ASN 78 -6.736 -20.570 -15.626 539 HA ASN 78 HA ASN 78 -5.012 -21.918 -15.804 540 1HB ASN 78 2HB ASN 78 -5.156 -22.209 -13.471 541 2HB ASN 78 3HB ASN 78 -6.720 -22.993 -13.558 542 1HD2 ASN 78 1HD2 ASN 78 -3.541 -23.548 -15.074 543 2HD2 ASN 78 2HD2 ASN 78 -3.370 -25.212 -14.623 544 H GLY 79 HN GLY 79 -5.263 -22.812 -17.971 545 1HA GLY 79 1HA GLY 79 -5.310 -24.541 -19.420 546 2HA GLY 79 2HA GLY 79 -5.590 -25.638 -18.083 547 H ARG 80 HN ARG 80 -7.555 -22.786 -19.148 548 HA ARG 80 HA ARG 80 -9.861 -24.471 -19.067 549 1HB ARG 80 2HB ARG 80 -10.031 -22.209 -18.126 550 2HB ARG 80 3HB ARG 80 -9.478 -21.489 -19.625 551 1HG ARG 80 2HG ARG 80 -11.664 -21.296 -20.211 552 2HG ARG 80 3HG ARG 80 -11.666 -23.032 -20.449 553 1HD ARG 80 2HD ARG 80 -12.839 -23.436 -18.506 554 2HD ARG 80 3HD ARG 80 -11.985 -22.198 -17.607 555 HE ARG 80 HE ARG 80 -13.831 -21.169 -19.662 556 1HH1 ARG 80 2HH2 ARG 80 -13.410 -22.068 -16.286 557 2HH1 ARG 80 1HH2 ARG 80 -14.749 -21.118 -15.733 558 1HH2 ARG 80 2HH1 ARG 80 -15.598 -19.916 -18.933 559 2HH2 ARG 80 1HH1 ARG 80 -16.002 -19.886 -17.249 560 H GLU 81 HN GLU 81 -10.673 -25.520 -20.858 561 HA GLU 81 HA GLU 81 -9.437 -25.303 -23.319 562 1HB GLU 81 2HB GLU 81 -12.248 -26.355 -22.790 563 2HB GLU 81 3HB GLU 81 -11.200 -26.793 -24.124 564 1HG GLU 81 2HG GLU 81 -9.507 -27.616 -22.353 565 2HG GLU 81 3HG GLU 81 -10.785 -27.420 -21.170 566 H PHE 82 HN PHE 82 -9.872 -24.129 -25.198 567 HA PHE 82 HA PHE 82 -12.289 -22.867 -25.731 568 1HB PHE 82 2HB PHE 82 -11.467 -21.506 -23.713 569 2HB PHE 82 3HB PHE 82 -10.025 -21.099 -24.623 570 HD1 PHE 82 HD1 PHE 82 -13.174 -19.961 -23.691 571 HD2 PHE 82 HD2 PHE 82 -10.558 -20.043 -27.032 572 HE1 PHE 82 HE1 PHE 82 -14.348 -17.965 -24.660 573 HE2 PHE 82 HE2 PHE 82 -11.732 -18.047 -28.000 574 HZ PHE 82 HZ PHE 82 -13.613 -17.032 -26.803 575 H SER 83 HN SER 83 -8.692 -22.650 -25.968 576 HA SER 83 HA SER 83 -8.944 -21.678 -28.659 577 1HB SER 83 2HB SER 83 -6.270 -22.106 -28.344 578 2HB SER 83 3HB SER 83 -7.083 -20.638 -27.837 579 HG SER 83 HG SER 83 -6.227 -22.871 -26.248 580 H GLY 84 HN GLY 84 -9.799 -24.491 -27.675 581 1HA GLY 84 1HA GLY 84 -9.970 -26.440 -28.858 582 2HA GLY 84 2HA GLY 84 -8.682 -25.926 -29.928 583 H ARG 85 HN ARG 85 -7.715 -25.355 -26.710 584 HA ARG 85 HA ARG 85 -6.700 -28.039 -26.392 585 1HB ARG 85 2HB ARG 85 -5.099 -25.864 -27.346 586 2HB ARG 85 3HB ARG 85 -4.614 -26.124 -25.682 587 1HG ARG 85 2HG ARG 85 -4.916 -28.494 -27.553 588 2HG ARG 85 3HG ARG 85 -3.462 -27.517 -27.613 589 1HD ARG 85 2HD ARG 85 -2.720 -28.914 -25.952 590 2HD ARG 85 3HD ARG 85 -3.678 -27.896 -24.895 591 HE ARG 85 HE ARG 85 -5.061 -29.731 -24.538 592 1HH1 ARG 85 2HH2 ARG 85 -3.620 -30.043 -27.733 593 2HH1 ARG 85 1HH2 ARG 85 -4.378 -31.564 -28.067 594 1HH2 ARG 85 2HH1 ARG 85 -6.061 -31.739 -24.978 595 2HH2 ARG 85 1HH1 ARG 85 -5.776 -32.535 -26.489 596 H ALA 86 HN ALA 86 -5.873 -24.830 -24.897 597 HA ALA 86 HA ALA 86 -7.570 -24.854 -22.770 598 1HB ALA 86 1HB ALA 86 -5.411 -26.858 -22.509 599 2HB ALA 86 2HB ALA 86 -5.550 -25.745 -21.126 600 3HB ALA 86 3HB ALA 86 -6.953 -26.717 -21.632 601 H LEU 87 HN LEU 87 -7.254 -22.969 -21.577 602 HA LEU 87 HA LEU 87 -5.030 -21.346 -22.491 603 1HB LEU 87 2HB LEU 87 -7.708 -20.886 -21.318 604 2HB LEU 87 3HB LEU 87 -6.464 -19.739 -20.863 605 HG LEU 87 HG LEU 87 -8.043 -19.486 -23.037 606 1HD1 LEU 87 1HD1 LEU 87 -6.315 -17.890 -23.910 607 2HD1 LEU 87 2HD1 LEU 87 -6.718 -17.695 -22.187 608 3HD1 LEU 87 3HD1 LEU 87 -5.205 -18.505 -22.661 609 1HD2 LEU 87 1HD2 LEU 87 -5.498 -20.478 -24.296 610 2HD2 LEU 87 2HD2 LEU 87 -6.847 -21.589 -23.960 611 3HD2 LEU 87 3HD2 LEU 87 -7.092 -20.191 -25.034 612 H ARG 88 HN ARG 88 -3.184 -22.101 -21.454 613 HA ARG 88 HA ARG 88 -3.187 -22.879 -18.794 614 1HB ARG 88 2HB ARG 88 -1.315 -22.707 -20.957 615 2HB ARG 88 3HB ARG 88 -0.586 -21.843 -19.618 616 1HG ARG 88 2HG ARG 88 -1.473 -24.013 -18.253 617 2HG ARG 88 3HG ARG 88 -1.317 -24.753 -19.834 618 1HD ARG 88 2HD ARG 88 1.037 -24.225 -19.968 619 2HD ARG 88 3HD ARG 88 0.942 -23.103 -18.625 620 HE ARG 88 HE ARG 88 1.091 -26.035 -18.453 621 1HH1 ARG 88 2HH2 ARG 88 0.284 -23.059 -16.758 622 2HH1 ARG 88 1HH2 ARG 88 0.477 -23.753 -15.183 623 1HH2 ARG 88 2HH1 ARG 88 1.346 -26.951 -16.376 624 2HH2 ARG 88 1HH1 ARG 88 1.086 -25.982 -14.964 625 H VAL 89 HN VAL 89 -3.617 -21.538 -17.066 626 HA VAL 89 HA VAL 89 -2.575 -18.794 -17.238 627 HB VAL 89 HB VAL 89 -4.977 -19.814 -15.709 628 1HG1 VAL 89 1HG1 VAL 89 -5.372 -17.647 -15.000 629 2HG1 VAL 89 2HG1 VAL 89 -3.594 -17.714 -14.952 630 3HG1 VAL 89 3HG1 VAL 89 -4.418 -16.924 -16.317 631 1HG2 VAL 89 1HG2 VAL 89 -4.685 -19.132 -18.499 632 2HG2 VAL 89 2HG2 VAL 89 -6.121 -19.712 -17.621 633 3HG2 VAL 89 3HG2 VAL 89 -5.768 -17.969 -17.697 634 H ASP 90 HN ASP 90 -0.940 -18.344 -15.860 635 HA ASP 90 HA ASP 90 -0.932 -19.776 -13.340 636 1HB ASP 90 2HB ASP 90 1.790 -19.486 -14.039 637 2HB ASP 90 3HB ASP 90 0.888 -20.985 -13.941 638 H ASN 91 HN ASN 91 0.386 -18.586 -11.670 639 HA ASN 91 HA ASN 91 -0.040 -15.909 -11.690 640 1HB ASN 91 2HB ASN 91 0.901 -17.718 -9.857 641 2HB ASN 91 3HB ASN 91 2.397 -16.879 -10.216 642 1HD2 ASN 91 1HD2 ASN 91 2.789 -14.945 -9.372 643 2HD2 ASN 91 2HD2 ASN 91 1.687 -14.001 -8.426 644 H ALA 92 HN ALA 92 0.976 -14.219 -12.789 645 HA ALA 92 HA ALA 92 3.028 -14.661 -14.601 646 1HB ALA 92 1HB ALA 92 3.044 -12.235 -14.820 647 2HB ALA 92 2HB ALA 92 1.365 -12.790 -14.618 648 3HB ALA 92 3HB ALA 92 2.230 -12.053 -13.248 649 H ALA 93 HN ALA 93 3.088 -14.363 -11.144 650 HA ALA 93 HA ALA 93 5.856 -13.479 -11.117 651 1HB ALA 93 1HB ALA 93 4.486 -14.347 -8.622 652 2HB ALA 93 2HB ALA 93 5.448 -12.886 -8.951 653 3HB ALA 93 3HB ALA 93 3.748 -12.969 -9.472 654 H SER 94 HN SER 94 5.373 -15.930 -12.522 655 HA SER 94 HA SER 94 6.102 -17.980 -10.632 656 1HB SER 94 2HB SER 94 4.778 -17.885 -13.205 657 2HB SER 94 3HB SER 94 6.160 -18.955 -13.327 658 HG SER 94 HG SER 94 3.831 -19.178 -11.690 659 H GLU 95 HN GLU 95 8.044 -19.361 -11.018 660 HA GLU 95 HA GLU 95 10.293 -17.807 -11.446 661 1HB GLU 95 2HB GLU 95 9.714 -20.712 -11.004 662 2HB GLU 95 3HB GLU 95 11.285 -20.331 -11.681 663 1HG GLU 95 2HG GLU 95 12.013 -19.779 -9.609 664 2HG GLU 95 3HG GLU 95 10.888 -18.435 -9.596 665 H LYS 96 HN LYS 96 8.402 -19.964 -13.587 666 HA LYS 96 HA LYS 96 10.360 -19.795 -15.688 667 1HB LYS 96 2HB LYS 96 7.542 -20.908 -15.774 668 2HB LYS 96 3HB LYS 96 8.825 -21.192 -16.933 669 1HG LYS 96 2HG LYS 96 9.217 -21.879 -13.999 670 2HG LYS 96 3HG LYS 96 8.386 -22.989 -15.069 671 1HD LYS 96 2HD LYS 96 10.487 -22.641 -16.645 672 2HD LYS 96 3HD LYS 96 11.267 -22.053 -15.191 673 1HE LYS 96 2HE LYS 96 9.954 -24.434 -14.386 674 2HE LYS 96 3HE LYS 96 10.626 -24.810 -15.960 675 1HZ LYS 96 1HZ LYS 96 12.574 -23.422 -14.650 676 2HZ LYS 96 2HZ LYS 96 11.968 -24.434 -13.521 677 3HZ LYS 96 3HZ LYS 96 12.543 -25.031 -14.929 678 H ASN 97 HN ASN 97 7.342 -18.190 -14.676 679 HA ASN 97 HA ASN 97 6.925 -16.917 -17.139 680 1HB ASN 97 2HB ASN 97 5.937 -16.502 -14.295 681 2HB ASN 97 3HB ASN 97 5.563 -15.299 -15.513 682 1HD2 ASN 97 1HD2 ASN 97 3.602 -16.716 -14.230 683 2HD2 ASN 97 2HD2 ASN 97 2.798 -17.788 -15.327 684 H LYS 98 HN LYS 98 9.100 -16.465 -14.440 685 HA LYS 98 HA LYS 98 9.410 -13.676 -14.543 686 1HB LYS 98 2HB LYS 98 10.315 -15.761 -12.952 687 2HB LYS 98 3HB LYS 98 11.779 -15.199 -13.733 688 1HG LYS 98 2HG LYS 98 11.105 -12.815 -13.081 689 2HG LYS 98 3HG LYS 98 9.801 -13.508 -12.138 690 1HD LYS 98 2HD LYS 98 12.615 -14.533 -11.708 691 2HD LYS 98 3HD LYS 98 12.163 -12.989 -11.015 692 1HE LYS 98 2HE LYS 98 10.043 -14.308 -10.118 693 2HE LYS 98 3HE LYS 98 11.018 -15.733 -10.420 694 1HZ LYS 98 1HZ LYS 98 11.182 -14.610 -8.171 695 2HZ LYS 98 2HZ LYS 98 12.579 -15.055 -8.890 696 3HZ LYS 98 3HZ LYS 98 12.115 -13.489 -8.906 697 H GLU 99 HN GLU 99 11.039 -16.417 -16.230 698 HA GLU 99 HA GLU 99 12.963 -14.847 -17.462 699 1HB GLU 99 2HB GLU 99 11.745 -17.556 -18.044 700 2HB GLU 99 3HB GLU 99 12.879 -16.854 -19.181 701 1HG GLU 99 2HG GLU 99 14.469 -17.838 -17.859 702 2HG GLU 99 3HG GLU 99 14.241 -16.434 -16.835 703 H GLU 100 HN GLU 100 9.572 -15.625 -18.290 704 HA GLU 100 HA GLU 100 9.756 -14.634 -20.916 705 1HB GLU 100 2HB GLU 100 7.304 -15.015 -19.141 706 2HB GLU 100 3HB GLU 100 7.272 -14.778 -20.877 707 1HG GLU 100 2HG GLU 100 9.107 -16.951 -20.136 708 2HG GLU 100 3HG GLU 100 7.496 -17.243 -19.511 709 H LEU 101 HN LEU 101 8.732 -13.274 -17.737 710 HA LEU 101 HA LEU 101 7.782 -10.843 -18.752 711 1HB LEU 101 2HB LEU 101 8.612 -11.907 -16.096 712 2HB LEU 101 3HB LEU 101 8.458 -10.171 -16.273 713 HG LEU 101 HG LEU 101 6.161 -11.688 -17.328 714 1HD1 LEU 101 1HD1 LEU 101 6.295 -13.191 -15.597 715 2HD1 LEU 101 2HD1 LEU 101 7.064 -12.027 -14.492 716 3HD1 LEU 101 3HD1 LEU 101 5.324 -11.901 -14.848 717 1HD2 LEU 101 1HD2 LEU 101 6.155 -9.260 -17.172 718 2HD2 LEU 101 2HD2 LEU 101 4.905 -9.959 -16.115 719 3HD2 LEU 101 3HD2 LEU 101 6.425 -9.352 -15.415 720 H LYS 102 HN LYS 102 11.030 -12.077 -17.988 721 HA LYS 102 HA LYS 102 12.409 -9.714 -17.771 722 1HB LYS 102 2HB LYS 102 13.155 -12.191 -17.519 723 2HB LYS 102 3HB LYS 102 13.522 -12.106 -19.230 724 1HG LYS 102 2HG LYS 102 15.374 -10.816 -18.886 725 2HG LYS 102 3HG LYS 102 14.534 -9.750 -17.777 726 1HD LYS 102 2HD LYS 102 14.805 -11.414 -15.944 727 2HD LYS 102 3HD LYS 102 15.595 -12.522 -17.047 728 1HE LYS 102 2HE LYS 102 17.555 -11.547 -16.423 729 2HE LYS 102 3HE LYS 102 17.070 -10.172 -17.395 730 1HZ LYS 102 1HZ LYS 102 17.512 -9.388 -15.252 731 2HZ LYS 102 2HZ LYS 102 15.884 -9.373 -15.378 732 3HZ LYS 102 3HZ LYS 102 16.626 -10.550 -14.522 733 H SER 103 HN SER 103 10.888 -11.212 -20.588 734 HA SER 103 HA SER 103 12.335 -9.523 -22.390 735 1HB SER 103 2HB SER 103 11.324 -11.967 -22.745 736 2HB SER 103 3HB SER 103 9.873 -11.084 -23.178 737 HG SER 103 HG SER 103 10.838 -11.091 -25.116 738 H LEU 104 HN LEU 104 9.140 -9.722 -20.787 739 HA LEU 104 HA LEU 104 8.054 -7.567 -22.340 740 1HB LEU 104 2HB LEU 104 7.016 -9.662 -20.902 741 2HB LEU 104 3HB LEU 104 6.725 -8.305 -19.831 742 HG LEU 104 HG LEU 104 5.397 -7.172 -21.457 743 1HD1 LEU 104 1HD1 LEU 104 6.177 -7.294 -23.562 744 2HD1 LEU 104 2HD1 LEU 104 6.772 -8.960 -23.362 745 3HD1 LEU 104 3HD1 LEU 104 5.049 -8.664 -23.698 746 1HD2 LEU 104 1HD2 LEU 104 4.002 -8.656 -20.374 747 2HD2 LEU 104 2HD2 LEU 104 3.724 -9.076 -22.081 748 3HD2 LEU 104 3HD2 LEU 104 4.793 -10.087 -21.079 749 H GLY 105 HN GLY 105 10.321 -7.820 -19.827 750 1HA GLY 105 1HA GLY 105 9.523 -5.383 -18.452 751 2HA GLY 105 2HA GLY 105 10.886 -6.423 -18.089 752 H THR 106 HN THR 106 12.905 -5.721 -18.662 753 HA THR 106 HA THR 106 13.488 -3.263 -19.566 754 HB THR 106 HB THR 106 14.964 -5.299 -18.739 755 HG1 THR 106 HG1 THR 106 15.846 -3.550 -20.922 756 1HG2 THR 106 1HG2 THR 106 15.317 -5.428 -21.781 757 2HG2 THR 106 2HG2 THR 106 16.308 -6.283 -20.575 758 3HG2 THR 106 3HG2 THR 106 14.597 -6.721 -20.792 759 H GLY 107 HN GLY 107 13.985 -2.202 -21.515 760 1HA GLY 107 1HA GLY 107 13.949 -1.848 -23.759 761 2HA GLY 107 2HA GLY 107 13.562 -3.536 -24.029 762 H ALA 108 HN ALA 108 12.085 -0.510 -22.661 763 HA ALA 108 HA ALA 108 9.617 -1.258 -24.057 764 1HB ALA 108 1HB ALA 108 10.037 -1.223 -21.236 765 2HB ALA 108 2HB ALA 108 9.034 0.192 -21.636 766 3HB ALA 108 3HB ALA 108 8.504 -1.438 -22.115 767 HA PRO 109 HA PRO 109 10.934 2.913 -25.147 768 1HB PRO 109 2HB PRO 109 10.667 2.662 -27.855 769 2HB PRO 109 3HB PRO 109 12.179 2.390 -27.012 770 1HG PRO 109 2HG PRO 109 10.317 0.405 -28.164 771 2HG PRO 109 3HG PRO 109 11.996 0.199 -27.708 772 1HD PRO 109 2HD PRO 109 9.699 -0.703 -26.247 773 2HD PRO 109 3HD PRO 109 11.373 -0.805 -25.737 774 H VAL 110 HN VAL 110 9.754 4.402 -27.061 775 HA VAL 110 HA VAL 110 6.909 4.010 -26.443 776 HB VAL 110 HB VAL 110 6.712 6.460 -26.321 777 1HG1 VAL 110 1HG1 VAL 110 7.024 6.388 -24.097 778 2HG1 VAL 110 2HG1 VAL 110 7.580 4.718 -24.367 779 3HG1 VAL 110 3HG1 VAL 110 8.763 6.043 -24.258 780 1HG2 VAL 110 1HG2 VAL 110 9.315 6.424 -27.426 781 2HG2 VAL 110 2HG2 VAL 110 8.342 7.840 -26.961 782 3HG2 VAL 110 3HG2 VAL 110 9.471 7.113 -25.793 783 H ILE 111 HN ILE 111 5.497 4.229 -28.165 784 HA ILE 111 HA ILE 111 6.771 4.389 -30.759 785 HB ILE 111 HB ILE 111 5.099 2.627 -30.048 786 1HG1 ILE 111 2HG1 ILE 111 5.785 2.949 -32.366 787 2HG1 ILE 111 3HG1 ILE 111 4.092 2.507 -32.266 788 1HG2 ILE 111 1HG2 ILE 111 3.128 3.248 -29.248 789 2HG2 ILE 111 2HG2 ILE 111 3.504 4.959 -29.562 790 3HG2 ILE 111 3HG2 ILE 111 2.731 3.971 -30.825 791 1HD1 ILE 111 1HD1 ILE 111 5.308 5.204 -32.916 792 2HD1 ILE 111 2HD1 ILE 111 4.063 4.292 -33.804 793 3HD1 ILE 111 3HD1 ILE 111 3.651 5.104 -32.274
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