NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20857 | 2gm2 | 7054 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 7.433 7.779 -32.916 2 2H MET 1 2HT MET 1 6.376 6.580 -32.344 3 3H MET 1 3HT MET 1 7.923 6.738 -31.672 4 HA MET 1 HA MET 1 7.348 8.937 -30.839 5 1HB MET 1 1HB MET 1 4.600 8.195 -31.870 6 2HB MET 1 2HB MET 1 4.939 9.560 -30.818 7 1HG MET 1 1HG MET 1 6.381 10.515 -32.568 8 2HG MET 1 2HG MET 1 5.949 9.171 -33.623 9 1HE MET 1 1HE MET 1 5.632 12.199 -34.468 10 2HE MET 1 2HE MET 1 4.037 12.185 -35.222 11 3HE MET 1 3HE MET 1 5.161 10.857 -35.511 12 HA PRO 2 HA PRO 2 6.379 6.602 -27.158 13 1HB PRO 2 1HB PRO 2 5.574 9.162 -25.945 14 2HB PRO 2 2HB PRO 2 6.873 8.061 -25.476 15 1HG PRO 2 1HG PRO 2 7.375 10.445 -26.614 16 2HG PRO 2 2HG PRO 2 8.391 9.025 -26.919 17 1HD PRO 2 1HD PRO 2 6.259 10.238 -28.637 18 2HD PRO 2 2HD PRO 2 7.836 9.564 -29.103 19 H LEU 3 H LEU 3 4.538 5.463 -27.006 20 HA LEU 3 HA LEU 3 2.063 6.711 -27.892 21 1HB LEU 3 1HB LEU 3 2.704 3.835 -27.250 22 2HB LEU 3 2HB LEU 3 1.170 4.407 -27.878 23 HG LEU 3 HG LEU 3 3.831 4.507 -29.301 24 1HD1 LEU 3 1HD1 LEU 3 2.859 2.280 -29.209 25 2HD1 LEU 3 2HD1 LEU 3 1.334 2.907 -29.837 26 3HD1 LEU 3 3HD1 LEU 3 2.781 2.934 -30.845 27 1HD2 LEU 3 1HD2 LEU 3 1.113 5.424 -30.228 28 2HD2 LEU 3 2HD2 LEU 3 2.484 6.465 -29.844 29 3HD2 LEU 3 3HD2 LEU 3 2.573 5.359 -31.214 30 H ASN 4 H ASN 4 3.486 6.799 -25.070 31 HA ASN 4 HA ASN 4 1.025 6.308 -23.547 32 1HB ASN 4 1HB ASN 4 3.862 6.703 -22.567 33 2HB ASN 4 2HB ASN 4 2.459 6.552 -21.515 34 1HD2 ASN 4 2HD2 ASN 4 1.320 4.559 -21.484 35 2HD2 ASN 4 1HD2 ASN 4 2.115 3.085 -21.938 36 H GLN 5 H GLN 5 0.119 8.222 -24.536 37 HA GLN 5 HA GLN 5 0.866 10.637 -23.054 38 1HB GLN 5 1HB GLN 5 0.523 10.413 -26.044 39 2HB GLN 5 2HB GLN 5 0.363 11.945 -25.195 40 1HG GLN 5 1HG GLN 5 2.821 10.209 -25.128 41 2HG GLN 5 2HG GLN 5 2.589 11.578 -26.215 42 1HE2 GLN 5 2HE2 GLN 5 3.134 10.582 -22.925 43 2HE2 GLN 5 1HE2 GLN 5 3.579 12.144 -22.321 44 H GLU 6 H GLU 6 -1.063 12.207 -24.572 45 HA GLU 6 HA GLU 6 -3.199 12.883 -24.410 46 1HB GLU 6 1HB GLU 6 -3.797 9.929 -24.223 47 2HB GLU 6 2HB GLU 6 -5.020 11.185 -24.374 48 1HG GLU 6 1HG GLU 6 -3.828 11.880 -26.502 49 2HG GLU 6 2HG GLU 6 -2.945 10.358 -26.375 50 H HIS 7 H HIS 7 -3.045 14.016 -22.617 51 HA HIS 7 HA HIS 7 -2.997 14.611 -20.447 52 1HB HIS 7 1HB HIS 7 -5.102 14.104 -19.220 53 2HB HIS 7 2HB HIS 7 -5.339 14.751 -20.834 54 HD1 HIS 7 HD1 HIS 7 -6.419 13.210 -22.588 55 HD2 HIS 7 HD2 HIS 7 -6.051 11.495 -18.818 56 HE1 HIS 7 HE1 HIS 7 -7.895 11.173 -22.621 57 HE2 HIS 7 HE2 HIS 7 -7.842 10.303 -20.261 58 HA PRO 8 HA PRO 8 -1.374 10.856 -18.299 59 1HB PRO 8 1HB PRO 8 1.328 11.710 -18.789 60 2HB PRO 8 2HB PRO 8 0.553 10.215 -19.317 61 1HG PRO 8 1HG PRO 8 1.369 12.230 -21.009 62 2HG PRO 8 2HG PRO 8 0.117 11.036 -21.396 63 1HD PRO 8 1HD PRO 8 -0.180 13.865 -20.470 64 2HD PRO 8 2HD PRO 8 -1.134 12.959 -21.665 65 H ASP 9 H ASP 9 -0.974 14.201 -18.571 66 HA ASP 9 HA ASP 9 -0.596 15.921 -17.160 67 1HB ASP 9 1HB ASP 9 -2.354 14.432 -15.884 68 2HB ASP 9 2HB ASP 9 -1.008 14.141 -14.785 69 H TYR 10 H TYR 10 0.519 15.607 -14.393 70 HA TYR 10 HA TYR 10 3.295 15.177 -15.256 71 1HB TYR 10 1HB TYR 10 2.160 16.770 -12.954 72 2HB TYR 10 2HB TYR 10 3.884 16.501 -13.203 73 HD1 TYR 10 HD1 TYR 10 4.957 17.373 -15.309 74 HD2 TYR 10 HD2 TYR 10 1.008 18.454 -14.149 75 HE1 TYR 10 HE1 TYR 10 5.041 19.298 -16.837 76 HE2 TYR 10 HE2 TYR 10 1.082 20.382 -15.673 77 HH TYR 10 HH TYR 10 3.461 20.753 -18.062 78 H THR 11 H THR 11 4.552 13.672 -14.393 79 HA THR 11 HA THR 11 3.368 11.543 -12.943 80 HB THR 11 HB THR 11 6.319 12.006 -13.415 81 HG1 THR 11 HG1 THR 11 4.615 11.912 -15.294 82 1HG2 THR 11 1HG2 THR 11 5.815 10.228 -11.814 83 2HG2 THR 11 2HG2 THR 11 4.720 9.479 -12.976 84 3HG2 THR 11 3HG2 THR 11 6.450 9.556 -13.316 85 H TYR 12 H TYR 12 2.907 11.609 -10.862 86 HA TYR 12 HA TYR 12 4.051 13.443 -9.024 87 1HB TYR 12 1HB TYR 12 2.354 10.984 -8.548 88 2HB TYR 12 2HB TYR 12 2.751 12.179 -7.320 89 HD1 TYR 12 HD1 TYR 12 0.818 11.542 -10.379 90 HD2 TYR 12 HD2 TYR 12 1.640 14.308 -7.255 91 HE1 TYR 12 HE1 TYR 12 -1.165 12.843 -11.018 92 HE2 TYR 12 HE2 TYR 12 -0.341 15.618 -7.888 93 HH TYR 12 HH TYR 12 -1.769 15.985 -9.780 94 H ALA 13 H ALA 13 5.598 13.180 -7.486 95 HA ALA 13 HA ALA 13 6.861 10.528 -7.255 96 1HB ALA 13 1HB ALA 13 8.272 12.005 -8.601 97 2HB ALA 13 2HB ALA 13 8.286 13.185 -7.290 98 3HB ALA 13 3HB ALA 13 9.036 11.606 -7.062 99 H LEU 14 H LEU 14 7.335 9.855 -5.227 100 HA LEU 14 HA LEU 14 6.412 11.456 -2.995 101 1HB LEU 14 1HB LEU 14 5.949 9.033 -3.082 102 2HB LEU 14 2HB LEU 14 7.670 8.707 -3.072 103 HG LEU 14 HG LEU 14 7.825 9.707 -0.811 104 1HD1 LEU 14 1HD1 LEU 14 4.821 9.837 -0.998 105 2HD1 LEU 14 2HD1 LEU 14 5.781 10.141 0.450 106 3HD1 LEU 14 3HD1 LEU 14 5.917 11.218 -0.941 107 1HD2 LEU 14 1HD2 LEU 14 5.809 7.484 -1.092 108 2HD2 LEU 14 2HD2 LEU 14 7.564 7.301 -1.079 109 3HD2 LEU 14 3HD2 LEU 14 6.725 7.868 0.366 110 H ARG 15 H ARG 15 7.712 12.831 -1.949 111 HA ARG 15 HA ARG 15 10.525 12.836 -2.658 112 1HB ARG 15 1HB ARG 15 9.241 14.938 -2.733 113 2HB ARG 15 2HB ARG 15 8.944 14.810 -1.004 114 1HG ARG 15 1HG ARG 15 11.303 15.045 -0.540 115 2HG ARG 15 2HG ARG 15 11.667 15.051 -2.266 116 1HD ARG 15 1HD ARG 15 10.005 17.104 -0.810 117 2HD ARG 15 2HD ARG 15 11.681 17.312 -1.315 118 HE ARG 15 HE ARG 15 10.011 16.608 -3.514 119 1HH1 ARG 15 1HH1 ARG 15 10.927 19.299 -1.466 120 2HH1 ARG 15 2HH1 ARG 15 10.565 20.502 -2.663 121 1HH2 ARG 15 1HH2 ARG 15 9.522 18.164 -5.076 122 2HH2 ARG 15 2HH2 ARG 15 9.736 19.853 -4.728 123 H ALA 16 H ALA 16 8.575 12.748 0.318 124 HA ALA 16 HA ALA 16 10.575 11.143 1.617 125 1HB ALA 16 1HB ALA 16 10.058 13.919 2.678 126 2HB ALA 16 2HB ALA 16 11.051 12.679 3.444 127 3HB ALA 16 3HB ALA 16 11.546 13.376 1.901 128 H ALA 17 H ALA 17 9.695 9.894 3.139 129 HA ALA 17 HA ALA 17 7.098 10.702 4.281 130 1HB ALA 17 1HB ALA 17 6.454 8.343 4.362 131 2HB ALA 17 2HB ALA 17 6.787 8.851 2.706 132 3HB ALA 17 3HB ALA 17 7.976 7.895 3.591 133 H ASP 18 H ASP 18 7.485 11.273 6.320 134 HA ASP 18 HA ASP 18 9.796 10.238 7.720 135 1HB ASP 18 1HB ASP 18 9.162 11.860 9.487 136 2HB ASP 18 2HB ASP 18 9.332 12.610 7.903 137 H GLY 19 H GLY 19 6.387 9.688 7.670 138 1HA GLY 19 1HA GLY 19 5.773 7.458 8.577 139 2HA GLY 19 2HA GLY 19 6.706 7.896 10.001 140 H ARG 20 H ARG 20 5.714 10.670 9.942 141 HA ARG 20 HA ARG 20 2.996 10.144 10.949 142 1HB ARG 20 1HB ARG 20 4.865 12.445 11.567 143 2HB ARG 20 2HB ARG 20 3.262 12.211 12.259 144 1HG ARG 20 1HG ARG 20 4.022 10.101 13.258 145 2HG ARG 20 2HG ARG 20 5.632 10.391 12.604 146 1HD ARG 20 1HD ARG 20 5.712 12.508 13.916 147 2HD ARG 20 2HD ARG 20 4.175 12.050 14.655 148 HE ARG 20 HE ARG 20 6.182 10.007 14.854 149 1HH1 ARG 20 1HH1 ARG 20 4.945 12.919 16.392 150 2HH1 ARG 20 2HH1 ARG 20 5.612 12.511 17.940 151 1HH2 ARG 20 1HH2 ARG 20 6.990 9.470 16.878 152 2HH2 ARG 20 2HH2 ARG 20 6.778 10.550 18.222 153 H HIS 21 H HIS 21 4.942 12.065 8.785 154 HA HIS 21 HA HIS 21 2.445 12.878 7.454 155 1HB HIS 21 1HB HIS 21 4.987 14.512 7.646 156 2HB HIS 21 2HB HIS 21 3.560 14.951 6.715 157 HD1 HIS 21 HD1 HIS 21 1.445 14.246 8.947 158 HD2 HIS 21 HD2 HIS 21 4.883 16.512 9.507 159 HE1 HIS 21 HE1 HIS 21 0.978 15.697 10.943 160 HE2 HIS 21 HE2 HIS 21 2.980 17.215 11.107 161 H ALA 22 H ALA 22 2.650 13.133 5.130 162 HA ALA 22 HA ALA 22 4.989 11.765 3.979 163 1HB ALA 22 1HB ALA 22 2.120 11.421 3.108 164 2HB ALA 22 2HB ALA 22 3.529 10.691 2.339 165 3HB ALA 22 3HB ALA 22 3.081 10.231 3.983 166 H LYS 23 H LYS 23 6.022 13.015 2.567 167 HA LYS 23 HA LYS 23 4.610 15.340 1.488 168 1HB LYS 23 1HB LYS 23 7.554 14.707 1.705 169 2HB LYS 23 2HB LYS 23 6.933 16.090 0.818 170 1HG LYS 23 1HG LYS 23 7.476 17.028 2.845 171 2HG LYS 23 2HG LYS 23 5.762 16.680 3.057 172 1HD LYS 23 1HD LYS 23 6.343 14.607 4.245 173 2HD LYS 23 2HD LYS 23 8.057 14.987 4.051 174 1HE LYS 23 1HE LYS 23 7.614 17.137 5.274 175 2HE LYS 23 2HE LYS 23 5.996 16.531 5.620 176 1HZ LYS 23 1HZ LYS 23 7.060 14.606 6.739 177 2HZ LYS 23 2HZ LYS 23 8.572 15.336 6.504 178 3HZ LYS 23 3HZ LYS 23 7.410 16.091 7.480 179 H VAL 24 H VAL 24 3.513 14.647 -0.246 180 HA VAL 24 HA VAL 24 4.912 13.086 -2.299 181 HB VAL 24 HB VAL 24 1.998 13.900 -2.256 182 1HG1 VAL 24 1HG1 VAL 24 2.846 13.291 -4.454 183 2HG1 VAL 24 2HG1 VAL 24 3.461 11.770 -3.810 184 3HG1 VAL 24 3HG1 VAL 24 1.724 12.068 -3.859 185 1HG2 VAL 24 1HG2 VAL 24 2.469 12.559 -0.283 186 2HG2 VAL 24 2HG2 VAL 24 1.516 11.636 -1.445 187 3HG2 VAL 24 3HG2 VAL 24 3.246 11.332 -1.283 188 H ASN 25 H ASN 25 6.121 14.402 -3.510 189 HA ASN 25 HA ASN 25 6.824 16.108 -4.814 190 1HB ASN 25 1HB ASN 25 3.888 16.746 -5.230 191 2HB ASN 25 2HB ASN 25 5.230 17.297 -6.226 192 1HD2 ASN 25 2HD2 ASN 25 3.090 14.734 -5.468 193 2HD2 ASN 25 1HD2 ASN 25 3.567 13.665 -6.737 194 H GLU 26 H GLU 26 3.940 17.883 -3.849 195 HA GLU 26 HA GLU 26 5.508 19.390 -1.885 196 1HB GLU 26 1HB GLU 26 3.695 20.577 -4.000 197 2HB GLU 26 2HB GLU 26 4.402 21.479 -2.667 198 1HG GLU 26 1HG GLU 26 6.627 21.053 -3.522 199 2HG GLU 26 2HG GLU 26 5.959 20.068 -4.823 200 H GLN 27 H GLN 27 3.059 17.392 -2.360 201 HA GLN 27 HA GLN 27 1.040 18.774 -0.769 202 1HB GLN 27 1HB GLN 27 0.315 17.552 -2.774 203 2HB GLN 27 2HB GLN 27 1.007 16.071 -2.130 204 1HG GLN 27 1HG GLN 27 -0.588 16.210 -0.237 205 2HG GLN 27 2HG GLN 27 -1.327 17.609 -1.016 206 1HE2 GLN 27 2HE2 GLN 27 -3.312 16.567 -1.238 207 2HE2 GLN 27 1HE2 GLN 27 -3.560 15.304 -2.391 208 H ILE 28 H ILE 28 0.938 18.511 1.357 209 HA ILE 28 HA ILE 28 2.476 16.326 2.572 210 HB ILE 28 HB ILE 28 1.322 18.803 3.866 211 1HG1 ILE 28 1HG1 ILE 28 4.185 18.108 3.171 212 2HG1 ILE 28 2HG1 ILE 28 3.186 19.281 2.318 213 1HG2 ILE 28 1HG2 ILE 28 1.448 16.936 5.418 214 2HG2 ILE 28 2HG2 ILE 28 3.135 16.665 4.983 215 3HG2 ILE 28 3HG2 ILE 28 2.666 18.149 5.813 216 1HD1 ILE 28 1HD1 ILE 28 4.731 20.376 3.834 217 2HD1 ILE 28 2HD1 ILE 28 3.061 20.641 4.338 218 3HD1 ILE 28 3HD1 ILE 28 4.064 19.467 5.191 219 H LEU 29 H LEU 29 1.292 14.562 2.862 220 HA LEU 29 HA LEU 29 -1.518 14.866 3.642 221 1HB LEU 29 1HB LEU 29 -0.012 12.506 2.517 222 2HB LEU 29 2HB LEU 29 -1.687 12.444 3.037 223 HG LEU 29 HG LEU 29 -0.640 14.235 0.839 224 1HD1 LEU 29 1HD1 LEU 29 -0.517 11.890 0.191 225 2HD1 LEU 29 2HD1 LEU 29 -2.202 11.664 0.661 226 3HD1 LEU 29 3HD1 LEU 29 -1.798 12.725 -0.688 227 1HD2 LEU 29 1HD2 LEU 29 -3.451 13.611 1.730 228 2HD2 LEU 29 2HD2 LEU 29 -2.600 15.134 1.980 229 3HD2 LEU 29 3HD2 LEU 29 -3.002 14.608 0.346 230 H GLN 30 H GLN 30 -2.323 14.016 5.483 231 HA GLN 30 HA GLN 30 -0.419 12.794 7.361 232 1HB GLN 30 1HB GLN 30 -1.945 14.115 9.093 233 2HB GLN 30 2HB GLN 30 -0.531 14.849 8.355 234 1HG GLN 30 1HG GLN 30 -2.384 16.395 8.349 235 2HG GLN 30 2HG GLN 30 -1.959 15.946 6.701 236 1HE2 GLN 30 2HE2 GLN 30 -4.340 15.744 9.212 237 2HE2 GLN 30 1HE2 GLN 30 -5.615 15.110 8.224 238 H GLN 31 H GLN 31 -2.294 11.491 5.659 239 HA GLN 31 HA GLN 31 -3.931 10.161 7.674 240 1HB GLN 31 1HB GLN 31 -5.918 10.196 6.272 241 2HB GLN 31 2HB GLN 31 -5.392 11.842 6.589 242 1HG GLN 31 1HG GLN 31 -4.324 11.890 4.361 243 2HG GLN 31 2HG GLN 31 -4.970 10.279 4.051 244 1HE2 GLN 31 2HE2 GLN 31 -6.263 10.861 2.358 245 2HE2 GLN 31 1HE2 GLN 31 -7.652 11.874 2.526 246 H SER 32 H SER 32 -5.275 8.502 5.750 247 HA SER 32 HA SER 32 -2.999 6.945 4.749 248 1HB SER 32 1HB SER 32 -5.851 6.047 5.217 249 2HB SER 32 2HB SER 32 -4.472 5.020 4.821 250 HG SER 32 HG SER 32 -4.881 4.998 7.055 251 H PHE 33 H PHE 33 -2.794 6.516 2.602 252 HA PHE 33 HA PHE 33 -4.996 7.063 0.792 253 1HB PHE 33 1HB PHE 33 -3.716 8.641 -0.587 254 2HB PHE 33 2HB PHE 33 -3.969 9.272 1.036 255 HD1 PHE 33 HD1 PHE 33 -1.546 8.265 -1.444 256 HD2 PHE 33 HD2 PHE 33 -2.079 9.286 2.655 257 HE1 PHE 33 HE1 PHE 33 0.874 8.650 -1.230 258 HE2 PHE 33 HE2 PHE 33 0.341 9.673 2.875 259 HZ PHE 33 HZ PHE 33 1.819 9.355 0.931 260 H ILE 34 H ILE 34 -4.441 6.499 -1.472 261 HA ILE 34 HA ILE 34 -2.452 4.315 -1.533 262 HB ILE 34 HB ILE 34 -5.011 4.425 -3.133 263 1HG1 ILE 34 1HG1 ILE 34 -4.457 2.710 -0.706 264 2HG1 ILE 34 2HG1 ILE 34 -5.368 4.215 -0.640 265 1HG2 ILE 34 1HG2 ILE 34 -3.029 2.205 -2.659 266 2HG2 ILE 34 2HG2 ILE 34 -4.528 2.064 -3.576 267 3HG2 ILE 34 3HG2 ILE 34 -3.237 3.117 -4.155 268 1HD1 ILE 34 1HD1 ILE 34 -7.040 3.290 -2.129 269 2HD1 ILE 34 2HD1 ILE 34 -6.115 1.794 -2.259 270 3HD1 ILE 34 3HD1 ILE 34 -6.823 2.262 -0.713 271 H LEU 35 H LEU 35 -0.826 4.746 -2.853 272 HA LEU 35 HA LEU 35 -1.285 6.527 -5.155 273 1HB LEU 35 1HB LEU 35 0.366 7.374 -3.579 274 2HB LEU 35 2HB LEU 35 1.258 5.868 -3.663 275 HG LEU 35 HG LEU 35 1.764 6.323 -6.043 276 1HD1 LEU 35 1HD1 LEU 35 -0.167 7.723 -6.565 277 2HD1 LEU 35 2HD1 LEU 35 0.458 8.986 -5.505 278 3HD1 LEU 35 3HD1 LEU 35 1.344 8.542 -6.962 279 1HD2 LEU 35 1HD2 LEU 35 3.379 8.116 -5.634 280 2HD2 LEU 35 2HD2 LEU 35 2.555 8.512 -4.125 281 3HD2 LEU 35 3HD2 LEU 35 3.353 6.951 -4.310 282 H MET 36 H MET 36 -1.263 5.630 -7.118 283 HA MET 36 HA MET 36 0.442 3.278 -7.560 284 1HB MET 36 1HB MET 36 -2.460 3.531 -8.373 285 2HB MET 36 2HB MET 36 -1.369 2.319 -9.027 286 1HG MET 36 1HG MET 36 -1.011 1.499 -6.698 287 2HG MET 36 2HG MET 36 -2.278 2.609 -6.177 288 1HE MET 36 1HE MET 36 -2.076 0.523 -9.521 289 2HE MET 36 2HE MET 36 -2.955 -0.935 -9.058 290 3HE MET 36 3HE MET 36 -1.405 -0.562 -8.304 291 HA PRO 37 HA PRO 37 1.626 5.387 -11.291 292 1HB PRO 37 1HB PRO 37 1.739 2.820 -12.708 293 2HB PRO 37 2HB PRO 37 3.052 3.917 -12.275 294 1HG PRO 37 1HG PRO 37 2.735 1.532 -11.072 295 2HG PRO 37 2HG PRO 37 3.355 2.949 -10.205 296 1HD PRO 37 1HD PRO 37 0.596 1.775 -10.186 297 2HD PRO 37 2HD PRO 37 1.567 2.390 -8.831 298 H ASP 38 H ASP 38 -1.208 5.151 -10.903 299 HA ASP 38 HA ASP 38 -2.076 5.209 -13.700 300 1HB ASP 38 1HB ASP 38 -2.706 2.986 -12.670 301 2HB ASP 38 2HB ASP 38 -3.703 3.874 -11.522 302 H GLU 39 H GLU 39 -2.922 5.804 -10.315 303 HA GLU 39 HA GLU 39 -3.231 8.581 -10.746 304 1HB GLU 39 1HB GLU 39 -5.598 8.803 -10.116 305 2HB GLU 39 2HB GLU 39 -5.406 7.955 -11.641 306 1HG GLU 39 1HG GLU 39 -5.817 5.833 -10.539 307 2HG GLU 39 2HG GLU 39 -5.937 6.649 -8.980 308 H LEU 40 H LEU 40 -4.338 9.537 -8.629 309 HA LEU 40 HA LEU 40 -3.095 8.131 -6.363 310 1HB LEU 40 1HB LEU 40 -2.027 10.252 -6.791 311 2HB LEU 40 2HB LEU 40 -3.574 11.074 -6.835 312 HG LEU 40 HG LEU 40 -3.879 10.586 -4.426 313 1HD1 LEU 40 1HD1 LEU 40 -1.979 9.793 -3.113 314 2HD1 LEU 40 2HD1 LEU 40 -2.513 8.576 -4.274 315 3HD1 LEU 40 3HD1 LEU 40 -1.063 9.528 -4.596 316 1HD2 LEU 40 1HD2 LEU 40 -1.324 12.022 -5.133 317 2HD2 LEU 40 2HD2 LEU 40 -2.945 12.716 -5.132 318 3HD2 LEU 40 3HD2 LEU 40 -2.211 12.187 -3.618 319 H VAL 41 H VAL 41 -4.497 7.214 -5.034 320 HA VAL 41 HA VAL 41 -7.236 8.240 -4.916 321 HB VAL 41 HB VAL 41 -6.139 5.714 -3.671 322 1HG1 VAL 41 1HG1 VAL 41 -8.495 5.051 -3.522 323 2HG1 VAL 41 2HG1 VAL 41 -8.167 6.519 -2.602 324 3HG1 VAL 41 3HG1 VAL 41 -8.970 6.622 -4.168 325 1HG2 VAL 41 1HG2 VAL 41 -7.605 6.065 -6.284 326 2HG2 VAL 41 2HG2 VAL 41 -5.914 5.605 -6.092 327 3HG2 VAL 41 3HG2 VAL 41 -7.191 4.522 -5.540 328 H GLU 42 H GLU 42 -7.218 9.959 -3.598 329 HA GLU 42 HA GLU 42 -5.700 10.045 -1.155 330 1HB GLU 42 1HB GLU 42 -6.161 12.063 -2.501 331 2HB GLU 42 2HB GLU 42 -7.882 11.866 -2.203 332 1HG GLU 42 1HG GLU 42 -7.291 12.054 0.274 333 2HG GLU 42 2HG GLU 42 -5.725 12.648 -0.278 334 H HIS 43 H HIS 43 -8.801 8.978 -2.131 335 HA HIS 43 HA HIS 43 -10.007 9.347 0.478 336 1HB HIS 43 1HB HIS 43 -11.086 8.302 -2.136 337 2HB HIS 43 2HB HIS 43 -12.022 8.297 -0.645 338 HD1 HIS 43 HD1 HIS 43 -13.512 10.237 -0.445 339 HD2 HIS 43 HD2 HIS 43 -10.092 11.139 -2.637 340 HE1 HIS 43 HE1 HIS 43 -13.756 12.646 -1.136 341 HE2 HIS 43 HE2 HIS 43 -11.594 13.212 -2.298 342 H TRP 44 H TRP 44 -8.758 7.931 1.732 343 HA TRP 44 HA TRP 44 -9.908 5.247 1.630 344 1HB TRP 44 1HB TRP 44 -7.496 5.296 0.709 345 2HB TRP 44 2HB TRP 44 -7.010 5.611 2.372 346 HD1 TRP 44 HD1 TRP 44 -9.708 3.106 1.179 347 HE1 TRP 44 HE1 TRP 44 -9.053 0.762 2.006 348 HE3 TRP 44 HE3 TRP 44 -5.177 4.228 3.265 349 HZ2 TRP 44 HZ2 TRP 44 -6.895 -0.452 3.355 350 HZ3 TRP 44 HZ3 TRP 44 -3.877 2.412 4.299 351 HH2 TRP 44 HH2 TRP 44 -4.720 0.121 4.342 352 HA PRO 45 HA PRO 45 -10.645 7.223 5.594 353 1HB PRO 45 1HB PRO 45 -12.930 5.949 6.179 354 2HB PRO 45 2HB PRO 45 -12.854 7.192 4.926 355 1HG PRO 45 1HG PRO 45 -12.861 4.213 4.643 356 2HG PRO 45 2HG PRO 45 -13.724 5.432 3.687 357 1HD PRO 45 1HD PRO 45 -11.379 4.237 2.903 358 2HD PRO 45 2HD PRO 45 -11.918 5.833 2.348 359 H VAL 46 H VAL 46 -8.811 4.889 5.411 360 HA VAL 46 HA VAL 46 -9.513 3.606 7.974 361 HB VAL 46 HB VAL 46 -7.723 2.435 5.832 362 1HG1 VAL 46 1HG1 VAL 46 -7.177 1.676 8.077 363 2HG1 VAL 46 2HG1 VAL 46 -8.862 1.235 8.355 364 3HG1 VAL 46 3HG1 VAL 46 -7.913 0.373 7.145 365 1HG2 VAL 46 1HG2 VAL 46 -10.022 2.528 5.035 366 2HG2 VAL 46 2HG2 VAL 46 -9.555 0.866 5.388 367 3HG2 VAL 46 3HG2 VAL 46 -10.583 1.750 6.515 368 HA PRO 47 HA PRO 47 -5.679 6.015 8.775 369 1HB PRO 47 1HB PRO 47 -6.442 7.140 11.083 370 2HB PRO 47 2HB PRO 47 -6.993 7.771 9.526 371 1HG PRO 47 1HG PRO 47 -8.438 6.044 11.492 372 2HG PRO 47 2HG PRO 47 -9.051 7.397 10.525 373 1HD PRO 47 1HD PRO 47 -9.383 4.724 9.893 374 2HD PRO 47 2HD PRO 47 -9.481 6.059 8.730 375 H SER 48 H SER 48 -7.459 3.664 10.529 376 HA SER 48 HA SER 48 -5.020 2.848 11.941 377 1HB SER 48 1HB SER 48 -7.810 2.754 13.120 378 2HB SER 48 2HB SER 48 -6.308 2.299 13.924 379 HG SER 48 HG SER 48 -5.873 4.717 13.147 380 H LEU 49 H LEU 49 -4.639 0.658 11.900 381 HA LEU 49 HA LEU 49 -6.178 -0.751 9.905 382 1HB LEU 49 1HB LEU 49 -4.449 -2.509 10.142 383 2HB LEU 49 2HB LEU 49 -3.829 -0.930 9.706 384 HG LEU 49 HG LEU 49 -3.439 -0.744 12.318 385 1HD1 LEU 49 1HD1 LEU 49 -2.758 -2.884 13.268 386 2HD1 LEU 49 2HD1 LEU 49 -4.474 -2.879 12.859 387 3HD1 LEU 49 3HD1 LEU 49 -3.321 -3.711 11.815 388 1HD2 LEU 49 1HD2 LEU 49 -1.161 -1.514 11.938 389 2HD2 LEU 49 2HD2 LEU 49 -1.673 -2.325 10.458 390 3HD2 LEU 49 3HD2 LEU 49 -1.745 -0.567 10.570 391 H GLY 50 H GLY 50 -6.653 -0.328 13.096 392 1HA GLY 50 1HA GLY 50 -7.487 -2.926 13.909 393 2HA GLY 50 2HA GLY 50 -8.000 -1.402 14.624 394 H GLN 51 H GLN 51 -8.735 -0.683 11.707 395 HA GLN 51 HA GLN 51 -11.313 -2.102 11.623 396 1HB GLN 51 1HB GLN 51 -10.539 0.630 10.577 397 2HB GLN 51 2HB GLN 51 -12.087 -0.141 10.266 398 1HG GLN 51 1HG GLN 51 -11.105 0.357 13.054 399 2HG GLN 51 2HG GLN 51 -11.959 1.591 12.132 400 1HE2 GLN 51 2HE2 GLN 51 -12.690 -1.816 11.836 401 2HE2 GLN 51 1HE2 GLN 51 -14.240 -1.747 12.598 402 H LEU 52 H LEU 52 -8.462 -2.565 10.437 403 HA LEU 52 HA LEU 52 -8.838 -2.282 7.611 404 1HB LEU 52 1HB LEU 52 -6.622 -2.190 8.823 405 2HB LEU 52 2HB LEU 52 -6.735 -3.931 9.001 406 HG LEU 52 HG LEU 52 -6.734 -4.190 6.561 407 1HD1 LEU 52 1HD1 LEU 52 -7.807 -2.083 5.970 408 2HD1 LEU 52 2HD1 LEU 52 -6.387 -1.194 6.520 409 3HD1 LEU 52 3HD1 LEU 52 -6.271 -2.266 5.124 410 1HD2 LEU 52 1HD2 LEU 52 -4.618 -4.206 7.803 411 2HD2 LEU 52 2HD2 LEU 52 -4.419 -3.558 6.175 412 3HD2 LEU 52 3HD2 LEU 52 -4.470 -2.467 7.560 413 H GLN 53 H GLN 53 -10.007 -3.524 6.435 414 HA GLN 53 HA GLN 53 -10.117 -6.397 6.821 415 1HB GLN 53 1HB GLN 53 -11.906 -5.519 8.278 416 2HB GLN 53 2HB GLN 53 -12.568 -4.613 6.929 417 1HG GLN 53 1HG GLN 53 -13.150 -6.660 5.792 418 2HG GLN 53 2HG GLN 53 -12.390 -7.612 7.067 419 1HE2 GLN 53 2HE2 GLN 53 -13.401 -7.812 9.049 420 2HE2 GLN 53 1HE2 GLN 53 -15.068 -7.405 9.276 421 HA PRO 54 HA PRO 54 -10.063 -6.350 2.368 422 1HB PRO 54 1HB PRO 54 -12.174 -8.452 2.594 423 2HB PRO 54 2HB PRO 54 -10.676 -8.457 1.655 424 1HG PRO 54 1HG PRO 54 -10.841 -9.841 3.913 425 2HG PRO 54 2HG PRO 54 -9.362 -8.952 3.506 426 1HD PRO 54 1HD PRO 54 -11.499 -8.278 5.474 427 2HD PRO 54 2HD PRO 54 -9.749 -8.000 5.565 428 H ALA 55 H ALA 55 -13.064 -6.082 4.133 429 HA ALA 55 HA ALA 55 -14.748 -5.352 1.986 430 1HB ALA 55 1HB ALA 55 -16.266 -4.523 3.702 431 2HB ALA 55 2HB ALA 55 -15.599 -6.090 4.159 432 3HB ALA 55 3HB ALA 55 -14.977 -4.617 4.902 433 H HIS 56 H HIS 56 -12.421 -3.568 3.877 434 HA HIS 56 HA HIS 56 -13.287 -1.058 2.609 435 1HB HIS 56 1HB HIS 56 -11.516 -1.594 4.992 436 2HB HIS 56 2HB HIS 56 -11.603 -0.014 4.221 437 HD1 HIS 56 HD1 HIS 56 -14.166 0.980 4.094 438 HD2 HIS 56 HD2 HIS 56 -13.363 -1.937 6.951 439 HE1 HIS 56 HE1 HIS 56 -16.029 1.141 5.769 440 HE2 HIS 56 HE2 HIS 56 -15.615 -0.735 7.398 441 H MET 57 H MET 57 -11.020 -3.522 2.381 442 HA MET 57 HA MET 57 -9.157 -1.888 0.830 443 1HB MET 57 1HB MET 57 -9.040 -4.784 1.685 444 2HB MET 57 2HB MET 57 -7.823 -4.002 0.685 445 1HG MET 57 1HG MET 57 -7.361 -2.420 2.489 446 2HG MET 57 2HG MET 57 -8.570 -3.218 3.494 447 1HE MET 57 1HE MET 57 -4.658 -5.227 2.094 448 2HE MET 57 2HE MET 57 -5.093 -3.563 1.708 449 3HE MET 57 3HE MET 57 -6.011 -4.899 1.011 450 H ASP 58 H ASP 58 -12.022 -3.125 0.301 451 HA ASP 58 HA ASP 58 -11.843 -4.837 -1.901 452 1HB ASP 58 1HB ASP 58 -13.916 -4.523 -0.645 453 2HB ASP 58 2HB ASP 58 -14.014 -2.850 -1.183 454 H ALA 59 H ALA 59 -11.975 -1.312 -1.700 455 HA ALA 59 HA ALA 59 -12.045 -0.721 -4.431 456 1HB ALA 59 1HB ALA 59 -12.345 0.960 -2.674 457 2HB ALA 59 2HB ALA 59 -10.641 0.814 -2.244 458 3HB ALA 59 3HB ALA 59 -11.101 1.446 -3.826 459 H VAL 60 H VAL 60 -9.340 -1.512 -2.316 460 HA VAL 60 HA VAL 60 -7.282 -1.019 -4.216 461 HB VAL 60 HB VAL 60 -7.154 -2.949 -1.891 462 1HG1 VAL 60 1HG1 VAL 60 -5.285 -3.100 -3.441 463 2HG1 VAL 60 2HG1 VAL 60 -5.014 -1.363 -3.305 464 3HG1 VAL 60 3HG1 VAL 60 -4.765 -2.406 -1.905 465 1HG2 VAL 60 1HG2 VAL 60 -7.983 -0.810 -1.085 466 2HG2 VAL 60 2HG2 VAL 60 -6.325 -1.075 -0.543 467 3HG2 VAL 60 3HG2 VAL 60 -6.651 0.025 -1.883 468 H LEU 61 H LEU 61 -9.078 -3.889 -3.211 469 HA LEU 61 HA LEU 61 -7.737 -5.732 -4.883 470 1HB LEU 61 1HB LEU 61 -10.550 -5.830 -3.787 471 2HB LEU 61 2HB LEU 61 -9.688 -7.186 -4.487 472 HG LEU 61 HG LEU 61 -8.882 -5.725 -1.968 473 1HD1 LEU 61 1HD1 LEU 61 -10.149 -8.433 -2.354 474 2HD1 LEU 61 2HD1 LEU 61 -9.567 -7.776 -0.823 475 3HD1 LEU 61 3HD1 LEU 61 -10.922 -7.010 -1.654 476 1HD2 LEU 61 1HD2 LEU 61 -7.281 -7.554 -1.690 477 2HD2 LEU 61 2HD2 LEU 61 -7.759 -8.211 -3.255 478 3HD2 LEU 61 3HD2 LEU 61 -6.966 -6.639 -3.165 479 H ALA 62 H ALA 62 -10.416 -3.543 -5.385 480 HA ALA 62 HA ALA 62 -11.332 -4.612 -7.839 481 1HB ALA 62 1HB ALA 62 -12.510 -2.498 -8.110 482 2HB ALA 62 2HB ALA 62 -12.679 -3.101 -6.460 483 3HB ALA 62 3HB ALA 62 -11.555 -1.787 -6.807 484 H LEU 63 H LEU 63 -8.849 -2.251 -7.024 485 HA LEU 63 HA LEU 63 -8.303 -1.435 -9.690 486 1HB LEU 63 1HB LEU 63 -6.519 -1.428 -7.252 487 2HB LEU 63 2HB LEU 63 -6.166 -0.603 -8.759 488 HG LEU 63 HG LEU 63 -8.498 0.014 -6.941 489 1HD1 LEU 63 1HD1 LEU 63 -6.376 0.661 -5.946 490 2HD1 LEU 63 2HD1 LEU 63 -5.926 1.512 -7.423 491 3HD1 LEU 63 3HD1 LEU 63 -7.285 2.084 -6.456 492 1HD2 LEU 63 1HD2 LEU 63 -8.998 0.457 -9.285 493 2HD2 LEU 63 2HD2 LEU 63 -8.814 1.963 -8.386 494 3HD2 LEU 63 3HD2 LEU 63 -7.514 1.396 -9.435 495 H ASN 64 H ASN 64 -7.398 -4.127 -7.749 496 HA ASN 64 HA ASN 64 -6.321 -6.067 -8.141 497 1HB ASN 64 1HB ASN 64 -7.907 -6.173 -10.043 498 2HB ASN 64 2HB ASN 64 -6.703 -5.394 -11.065 499 1HD2 ASN 64 2HD2 ASN 64 -4.924 -6.553 -11.747 500 2HD2 ASN 64 1HD2 ASN 64 -4.802 -8.275 -11.586 501 HA PRO 65 HA PRO 65 -2.194 -4.414 -9.055 502 1HB PRO 65 1HB PRO 65 -1.224 -4.363 -6.562 503 2HB PRO 65 2HB PRO 65 -2.260 -3.067 -7.168 504 1HG PRO 65 1HG PRO 65 -2.878 -5.238 -5.252 505 2HG PRO 65 2HG PRO 65 -3.593 -3.624 -5.394 506 1HD PRO 65 1HD PRO 65 -4.632 -6.095 -6.391 507 2HD PRO 65 2HD PRO 65 -5.308 -4.468 -6.603 508 H ALA 66 H ALA 66 -0.037 -5.437 -8.345 509 HA ALA 66 HA ALA 66 -0.375 -8.349 -8.182 510 1HB ALA 66 1HB ALA 66 2.049 -6.718 -8.939 511 2HB ALA 66 2HB ALA 66 1.936 -8.479 -8.970 512 3HB ALA 66 3HB ALA 66 0.946 -7.512 -10.064 513 H VAL 67 H VAL 67 1.393 -5.647 -6.767 514 HA VAL 67 HA VAL 67 1.673 -7.207 -4.294 515 HB VAL 67 HB VAL 67 3.849 -7.282 -5.334 516 1HG1 VAL 67 1HG1 VAL 67 5.103 -5.256 -5.909 517 2HG1 VAL 67 2HG1 VAL 67 3.632 -5.419 -6.867 518 3HG1 VAL 67 3HG1 VAL 67 3.687 -4.280 -5.522 519 1HG2 VAL 67 1HG2 VAL 67 5.229 -6.169 -3.642 520 2HG2 VAL 67 2HG2 VAL 67 3.830 -5.230 -3.123 521 3HG2 VAL 67 3HG2 VAL 67 3.839 -6.981 -2.919 522 H ILE 68 H ILE 68 1.336 -6.067 -2.421 523 HA ILE 68 HA ILE 68 0.586 -3.232 -2.753 524 HB ILE 68 HB ILE 68 -0.639 -5.208 -0.814 525 1HG1 ILE 68 1HG1 ILE 68 -1.835 -3.926 -3.286 526 2HG1 ILE 68 2HG1 ILE 68 -1.328 -5.607 -3.160 527 1HG2 ILE 68 1HG2 ILE 68 -1.317 -2.326 -1.392 528 2HG2 ILE 68 2HG2 ILE 68 -2.221 -3.398 -0.321 529 3HG2 ILE 68 3HG2 ILE 68 -0.563 -2.947 0.076 530 1HD1 ILE 68 1HD1 ILE 68 -3.011 -5.987 -1.438 531 2HD1 ILE 68 2HD1 ILE 68 -3.515 -4.301 -1.558 532 3HD1 ILE 68 3HD1 ILE 68 -3.732 -5.387 -2.931 533 H LEU 69 H LEU 69 1.884 -1.917 -1.701 534 HA LEU 69 HA LEU 69 3.425 -2.937 0.575 535 1HB LEU 69 1HB LEU 69 3.770 -0.472 -1.130 536 2HB LEU 69 2HB LEU 69 4.749 -0.832 0.278 537 HG LEU 69 HG LEU 69 4.594 -2.564 -2.190 538 1HD1 LEU 69 1HD1 LEU 69 6.839 -1.729 -2.668 539 2HD1 LEU 69 2HD1 LEU 69 5.653 -0.425 -2.669 540 3HD1 LEU 69 3HD1 LEU 69 6.729 -0.636 -1.288 541 1HD2 LEU 69 1HD2 LEU 69 6.407 -2.672 0.217 542 2HD2 LEU 69 2HD2 LEU 69 5.120 -3.814 -0.167 543 3HD2 LEU 69 3HD2 LEU 69 6.533 -3.693 -1.215 544 H LEU 70 H LEU 70 2.442 -2.643 2.448 545 HA LEU 70 HA LEU 70 0.748 -0.289 2.835 546 1HB LEU 70 1HB LEU 70 -0.190 -2.491 3.409 547 2HB LEU 70 2HB LEU 70 1.113 -2.749 4.552 548 HG LEU 70 HG LEU 70 0.297 -0.803 5.866 549 1HD1 LEU 70 1HD1 LEU 70 -1.935 0.078 5.408 550 2HD1 LEU 70 2HD1 LEU 70 -0.824 0.406 4.078 551 3HD1 LEU 70 3HD1 LEU 70 -2.015 -0.887 3.934 552 1HD2 LEU 70 1HD2 LEU 70 -1.724 -2.988 5.379 553 2HD2 LEU 70 2HD2 LEU 70 -0.351 -3.066 6.484 554 3HD2 LEU 70 3HD2 LEU 70 -1.668 -1.935 6.792 555 H GLY 71 H GLY 71 1.685 1.436 3.638 556 1HA GLY 71 1HA GLY 71 4.052 1.168 5.333 557 2HA GLY 71 2HA GLY 71 3.428 2.663 4.644 558 H THR 72 H THR 72 3.883 1.132 7.460 559 HA THR 72 HA THR 72 1.375 1.986 8.706 560 HB THR 72 HB THR 72 2.423 0.802 10.738 561 HG1 THR 72 HG1 THR 72 4.109 -0.196 8.654 562 1HG2 THR 72 1HG2 THR 72 1.770 -0.793 8.257 563 2HG2 THR 72 2HG2 THR 72 1.743 -1.404 9.912 564 3HG2 THR 72 3HG2 THR 72 0.602 -0.154 9.414 565 H GLY 73 H GLY 73 3.093 4.035 7.835 566 1HA GLY 73 1HA GLY 73 4.334 5.844 8.484 567 2HA GLY 73 2HA GLY 73 3.411 5.723 9.973 568 H GLU 74 H GLU 74 4.540 5.544 11.726 569 HA GLU 74 HA GLU 74 7.229 4.336 11.644 570 1HB GLU 74 1HB GLU 74 7.652 5.714 13.696 571 2HB GLU 74 2HB GLU 74 7.370 6.668 12.244 572 1HG GLU 74 1HG GLU 74 5.183 7.236 12.921 573 2HG GLU 74 2HG GLU 74 5.192 6.033 14.208 574 H ARG 75 H ARG 75 4.175 3.640 12.382 575 HA ARG 75 HA ARG 75 4.765 2.356 14.964 576 1HB ARG 75 1HB ARG 75 2.944 4.280 14.577 577 2HB ARG 75 2HB ARG 75 1.964 2.900 14.108 578 1HG ARG 75 1HG ARG 75 1.844 2.091 16.222 579 2HG ARG 75 2HG ARG 75 3.441 2.703 16.665 580 1HD ARG 75 1HD ARG 75 0.957 4.379 16.293 581 2HD ARG 75 2HD ARG 75 1.653 3.904 17.844 582 HE ARG 75 HE ARG 75 3.667 5.170 16.401 583 1HH1 ARG 75 1HH1 ARG 75 0.553 6.024 17.782 584 2HH1 ARG 75 2HH1 ARG 75 1.003 7.680 18.056 585 1HH2 ARG 75 1HH2 ARG 75 4.240 7.358 16.745 586 2HH2 ARG 75 2HH2 ARG 75 3.089 8.433 17.484 587 H GLN 76 H GLN 76 5.601 0.559 13.811 588 HA GLN 76 HA GLN 76 4.236 -0.682 11.673 589 1HB GLN 76 1HB GLN 76 6.659 -0.840 11.976 590 2HB GLN 76 2HB GLN 76 6.422 -1.768 13.450 591 1HG GLN 76 1HG GLN 76 5.406 -3.567 12.185 592 2HG GLN 76 2HG GLN 76 5.558 -2.631 10.698 593 1HE2 GLN 76 2HE2 GLN 76 6.674 -5.248 11.434 594 2HE2 GLN 76 1HE2 GLN 76 8.386 -5.099 11.226 595 H GLN 77 H GLN 77 2.533 -1.908 11.708 596 HA GLN 77 HA GLN 77 2.212 -3.950 13.738 597 1HB GLN 77 1HB GLN 77 1.004 -2.055 14.694 598 2HB GLN 77 2HB GLN 77 0.108 -1.843 13.200 599 1HG GLN 77 1HG GLN 77 -1.100 -3.841 13.530 600 2HG GLN 77 2HG GLN 77 -0.030 -4.354 14.834 601 1HE2 GLN 77 2HE2 GLN 77 -1.788 -4.592 16.223 602 2HE2 GLN 77 1HE2 GLN 77 -2.576 -3.224 16.939 603 H PHE 78 H PHE 78 1.170 -5.745 12.947 604 HA PHE 78 HA PHE 78 1.013 -5.812 10.049 605 1HB PHE 78 1HB PHE 78 0.926 -7.986 12.144 606 2HB PHE 78 2HB PHE 78 0.770 -8.294 10.417 607 HD1 PHE 78 HD1 PHE 78 2.656 -7.924 8.915 608 HD2 PHE 78 HD2 PHE 78 3.042 -7.442 13.123 609 HE1 PHE 78 HE1 PHE 78 5.105 -8.001 8.695 610 HE2 PHE 78 HE2 PHE 78 5.490 -7.518 12.912 611 HZ PHE 78 HZ PHE 78 6.525 -7.795 10.696 612 HA PRO 79 HA PRO 79 -3.375 -5.571 9.684 613 1HB PRO 79 1HB PRO 79 -3.060 -7.411 7.393 614 2HB PRO 79 2HB PRO 79 -3.717 -5.773 7.435 615 1HG PRO 79 1HG PRO 79 -1.328 -6.283 6.352 616 2HG PRO 79 2HG PRO 79 -1.629 -4.790 7.263 617 1HD PRO 79 1HD PRO 79 -0.208 -7.281 8.117 618 2HD PRO 79 2HD PRO 79 0.202 -5.583 8.438 619 H SER 80 H SER 80 -5.279 -6.882 9.709 620 HA SER 80 HA SER 80 -5.207 -9.096 11.392 621 1HB SER 80 1HB SER 80 -7.390 -8.503 9.383 622 2HB SER 80 2HB SER 80 -7.553 -9.295 10.952 623 HG SER 80 HG SER 80 -7.835 -6.743 10.440 624 H THR 81 H THR 81 -5.179 -11.300 11.050 625 HA THR 81 HA THR 81 -4.015 -12.314 8.704 626 HB THR 81 HB THR 81 -3.824 -13.501 10.826 627 HG1 THR 81 HG1 THR 81 -4.751 -14.701 8.511 628 1HG2 THR 81 1HG2 THR 81 -6.766 -14.112 10.511 629 2HG2 THR 81 2HG2 THR 81 -5.697 -14.810 11.727 630 3HG2 THR 81 3HG2 THR 81 -6.044 -13.081 11.747 631 H ASP 82 H ASP 82 -7.304 -11.696 9.539 632 HA ASP 82 HA ASP 82 -8.685 -13.239 7.674 633 1HB ASP 82 1HB ASP 82 -9.893 -12.028 9.351 634 2HB ASP 82 2HB ASP 82 -9.232 -10.490 8.804 635 H VAL 83 H VAL 83 -7.003 -10.169 7.308 636 HA VAL 83 HA VAL 83 -7.880 -9.615 4.662 637 HB VAL 83 HB VAL 83 -5.360 -8.672 6.048 638 1HG1 VAL 83 1HG1 VAL 83 -5.458 -6.795 4.473 639 2HG1 VAL 83 2HG1 VAL 83 -5.272 -8.341 3.645 640 3HG1 VAL 83 3HG1 VAL 83 -6.844 -7.541 3.678 641 1HG2 VAL 83 1HG2 VAL 83 -6.628 -6.679 6.652 642 2HG2 VAL 83 2HG2 VAL 83 -8.075 -7.362 5.913 643 3HG2 VAL 83 3HG2 VAL 83 -7.369 -8.125 7.336 644 H LEU 84 H LEU 84 -5.168 -11.346 6.048 645 HA LEU 84 HA LEU 84 -3.601 -11.601 3.725 646 1HB LEU 84 1HB LEU 84 -3.751 -13.421 6.131 647 2HB LEU 84 2HB LEU 84 -2.472 -13.429 4.931 648 HG LEU 84 HG LEU 84 -3.109 -11.138 6.795 649 1HD1 LEU 84 1HD1 LEU 84 -0.820 -13.100 6.791 650 2HD1 LEU 84 2HD1 LEU 84 -0.988 -11.709 7.862 651 3HD1 LEU 84 3HD1 LEU 84 -2.137 -13.043 7.963 652 1HD2 LEU 84 1HD2 LEU 84 -0.868 -11.495 4.808 653 2HD2 LEU 84 2HD2 LEU 84 -2.219 -10.372 4.656 654 3HD2 LEU 84 3HD2 LEU 84 -1.036 -10.158 5.946 655 H ALA 85 H ALA 85 -6.305 -13.451 4.954 656 HA ALA 85 HA ALA 85 -6.024 -15.752 3.369 657 1HB ALA 85 1HB ALA 85 -8.386 -16.149 3.833 658 2HB ALA 85 2HB ALA 85 -7.542 -15.617 5.287 659 3HB ALA 85 3HB ALA 85 -8.563 -14.487 4.398 660 H ALA 86 H ALA 86 -7.715 -12.699 2.771 661 HA ALA 86 HA ALA 86 -8.780 -13.455 0.249 662 1HB ALA 86 1HB ALA 86 -9.295 -11.089 -0.028 663 2HB ALA 86 2HB ALA 86 -9.732 -11.640 1.590 664 3HB ALA 86 3HB ALA 86 -8.265 -10.693 1.347 665 H CYS 87 H CYS 87 -5.797 -11.944 1.288 666 HA CYS 87 HA CYS 87 -4.942 -11.176 -1.321 667 1HB CYS 87 1HB CYS 87 -3.305 -11.592 1.189 668 2HB CYS 87 2HB CYS 87 -2.783 -10.734 -0.258 669 HG CYS 87 HG CYS 87 -5.239 -9.755 1.916 670 H LEU 88 H LEU 88 -4.217 -13.916 0.811 671 HA LEU 88 HA LEU 88 -2.226 -15.100 -0.759 672 1HB LEU 88 1HB LEU 88 -2.759 -15.621 1.627 673 2HB LEU 88 2HB LEU 88 -4.176 -16.491 1.083 674 HG LEU 88 HG LEU 88 -1.465 -17.301 0.085 675 1HD1 LEU 88 1HD1 LEU 88 -2.703 -18.121 2.711 676 2HD1 LEU 88 2HD1 LEU 88 -1.271 -18.843 1.977 677 3HD1 LEU 88 3HD1 LEU 88 -1.239 -17.161 2.508 678 1HD2 LEU 88 1HD2 LEU 88 -3.454 -18.311 -0.931 679 2HD2 LEU 88 2HD2 LEU 88 -2.521 -19.501 -0.022 680 3HD2 LEU 88 3HD2 LEU 88 -4.003 -18.833 0.661 681 H THR 89 H THR 89 -5.736 -15.593 -0.739 682 HA THR 89 HA THR 89 -5.778 -17.766 -2.518 683 HB THR 89 HB THR 89 -8.192 -16.995 -2.931 684 HG1 THR 89 HG1 THR 89 -7.908 -15.394 -0.648 685 1HG2 THR 89 1HG2 THR 89 -7.264 -17.517 -0.103 686 2HG2 THR 89 2HG2 THR 89 -8.907 -17.741 -0.705 687 3HG2 THR 89 3HG2 THR 89 -7.594 -18.744 -1.326 688 H ARG 90 H ARG 90 -5.957 -14.270 -3.098 689 HA ARG 90 HA ARG 90 -6.281 -14.608 -5.940 690 1HB ARG 90 1HB ARG 90 -5.737 -12.205 -4.210 691 2HB ARG 90 2HB ARG 90 -5.766 -12.105 -5.964 692 1HG ARG 90 1HG ARG 90 -8.100 -13.084 -5.839 693 2HG ARG 90 2HG ARG 90 -8.022 -12.768 -4.102 694 1HD ARG 90 1HD ARG 90 -7.672 -10.421 -4.494 695 2HD ARG 90 2HD ARG 90 -7.562 -10.687 -6.232 696 HE ARG 90 HE ARG 90 -10.031 -11.083 -4.653 697 1HH1 ARG 90 1HH1 ARG 90 -8.373 -10.210 -7.617 698 2HH1 ARG 90 2HH1 ARG 90 -9.821 -9.658 -8.414 699 1HH2 ARG 90 1HH2 ARG 90 -11.941 -10.352 -5.708 700 2HH2 ARG 90 2HH2 ARG 90 -11.832 -9.740 -7.328 701 H GLY 91 H GLY 91 -3.640 -14.581 -3.779 702 1HA GLY 91 1HA GLY 91 -1.402 -15.022 -4.287 703 2HA GLY 91 2HA GLY 91 -1.757 -14.737 -5.987 704 H ILE 92 H ILE 92 -2.690 -12.522 -3.476 705 HA ILE 92 HA ILE 92 -1.151 -10.424 -4.773 706 HB ILE 92 HB ILE 92 -3.046 -10.228 -2.421 707 1HG1 ILE 92 1HG1 ILE 92 -4.212 -11.040 -4.414 708 2HG1 ILE 92 2HG1 ILE 92 -4.693 -9.388 -4.044 709 1HG2 ILE 92 1HG2 ILE 92 -3.107 -7.836 -2.957 710 2HG2 ILE 92 2HG2 ILE 92 -1.484 -8.373 -2.527 711 3HG2 ILE 92 3HG2 ILE 92 -1.902 -8.094 -4.218 712 1HD1 ILE 92 1HD1 ILE 92 -2.735 -10.224 -6.169 713 2HD1 ILE 92 2HD1 ILE 92 -4.400 -9.705 -6.428 714 3HD1 ILE 92 3HD1 ILE 92 -3.209 -8.566 -5.800 715 H GLY 93 H GLY 93 0.744 -9.707 -4.052 716 1HA GLY 93 1HA GLY 93 1.850 -10.794 -1.607 717 2HA GLY 93 2HA GLY 93 2.683 -9.770 -2.769 718 H LEU 94 H LEU 94 0.661 -9.845 0.058 719 HA LEU 94 HA LEU 94 0.637 -6.945 0.271 720 1HB LEU 94 1HB LEU 94 -1.356 -8.204 0.936 721 2HB LEU 94 2HB LEU 94 -0.419 -9.085 2.126 722 HG LEU 94 HG LEU 94 -0.025 -6.961 3.347 723 1HD1 LEU 94 1HD1 LEU 94 -1.356 -4.997 2.782 724 2HD1 LEU 94 2HD1 LEU 94 -0.252 -5.419 1.473 725 3HD1 LEU 94 3HD1 LEU 94 -1.965 -5.817 1.343 726 1HD2 LEU 94 1HD2 LEU 94 -2.919 -7.650 2.852 727 2HD2 LEU 94 2HD2 LEU 94 -1.842 -8.442 4.002 728 3HD2 LEU 94 3HD2 LEU 94 -2.294 -6.754 4.237 729 H GLU 95 H GLU 95 2.251 -5.879 1.149 730 HA GLU 95 HA GLU 95 4.012 -7.272 3.063 731 1HB GLU 95 1HB GLU 95 5.092 -6.846 0.890 732 2HB GLU 95 2HB GLU 95 4.717 -5.135 1.040 733 1HG GLU 95 1HG GLU 95 7.012 -5.487 1.592 734 2HG GLU 95 2HG GLU 95 6.137 -5.037 3.053 735 H ALA 96 H ALA 96 4.094 -6.397 5.034 736 HA ALA 96 HA ALA 96 3.051 -3.671 5.398 737 1HB ALA 96 1HB ALA 96 1.915 -5.437 6.662 738 2HB ALA 96 2HB ALA 96 3.440 -5.857 7.442 739 3HB ALA 96 3HB ALA 96 2.706 -4.280 7.732 740 H MET 97 H MET 97 4.560 -2.158 5.471 741 HA MET 97 HA MET 97 7.008 -2.660 7.033 742 1HB MET 97 1HB MET 97 6.829 -1.393 4.294 743 2HB MET 97 2HB MET 97 8.227 -1.218 5.342 744 1HG MET 97 1HG MET 97 8.553 -3.645 5.296 745 2HG MET 97 2HG MET 97 7.168 -3.799 4.211 746 1HE MET 97 1HE MET 97 8.787 -5.157 2.532 747 2HE MET 97 2HE MET 97 10.161 -4.907 3.609 748 3HE MET 97 3HE MET 97 10.294 -4.499 1.898 749 H THR 98 H THR 98 8.192 -0.392 7.225 750 HA THR 98 HA THR 98 6.250 1.578 8.110 751 HB THR 98 HB THR 98 8.314 2.888 8.747 752 HG1 THR 98 HG1 THR 98 10.270 1.495 8.794 753 1HG2 THR 98 1HG2 THR 98 7.153 1.493 10.380 754 2HG2 THR 98 2HG2 THR 98 8.087 0.090 9.864 755 3HG2 THR 98 3HG2 THR 98 8.895 1.448 10.648 756 H ASN 99 H ASN 99 6.532 3.873 7.343 757 HA ASN 99 HA ASN 99 6.221 3.931 4.557 758 1HB ASN 99 1HB ASN 99 6.581 6.120 6.585 759 2HB ASN 99 2HB ASN 99 6.408 6.474 4.867 760 1HD2 ASN 99 2HD2 ASN 99 4.456 7.504 5.092 761 2HD2 ASN 99 1HD2 ASN 99 2.999 6.675 5.505 762 H ALA 100 H ALA 100 9.028 4.528 6.552 763 HA ALA 100 HA ALA 100 10.644 5.724 4.569 764 1HB ALA 100 1HB ALA 100 12.518 5.201 6.036 765 2HB ALA 100 2HB ALA 100 11.164 5.850 6.961 766 3HB ALA 100 3HB ALA 100 11.493 4.117 6.978 767 H ALA 101 H ALA 101 10.219 2.359 5.598 768 HA ALA 101 HA ALA 101 12.187 1.342 3.783 769 1HB ALA 101 1HB ALA 101 11.655 0.197 5.882 770 2HB ALA 101 2HB ALA 101 10.024 -0.123 5.292 771 3HB ALA 101 3HB ALA 101 11.413 -0.857 4.490 772 H ALA 102 H ALA 102 8.662 1.588 3.799 773 HA ALA 102 HA ALA 102 8.167 0.064 1.490 774 1HB ALA 102 1HB ALA 102 6.419 0.684 3.090 775 2HB ALA 102 2HB ALA 102 6.557 2.368 2.589 776 3HB ALA 102 3HB ALA 102 5.986 1.152 1.446 777 H ALA 103 H ALA 103 9.072 3.426 1.930 778 HA ALA 103 HA ALA 103 8.517 4.340 -0.675 779 1HB ALA 103 1HB ALA 103 9.990 6.205 -0.144 780 2HB ALA 103 2HB ALA 103 8.924 5.843 1.213 781 3HB ALA 103 3HB ALA 103 10.611 5.331 1.256 782 H ARG 104 H ARG 104 11.190 2.543 0.660 783 HA ARG 104 HA ARG 104 12.942 3.001 -1.576 784 1HB ARG 104 1HB ARG 104 13.120 0.840 0.533 785 2HB ARG 104 2HB ARG 104 14.410 1.368 -0.537 786 1HG ARG 104 1HG ARG 104 13.137 2.959 1.676 787 2HG ARG 104 2HG ARG 104 14.758 2.267 1.660 788 1HD ARG 104 1HD ARG 104 15.339 3.721 -0.237 789 2HD ARG 104 2HD ARG 104 13.725 4.431 -0.171 790 HE ARG 104 HE ARG 104 15.534 4.574 2.153 791 1HH1 ARG 104 1HH1 ARG 104 13.572 6.161 -0.294 792 2HH1 ARG 104 2HH1 ARG 104 13.720 7.737 0.433 793 1HH2 ARG 104 1HH2 ARG 104 15.753 6.645 3.080 794 2HH2 ARG 104 2HH2 ARG 104 14.974 8.017 2.339 795 H THR 105 H THR 105 10.969 0.297 -0.409 796 HA THR 105 HA THR 105 11.531 -1.475 -2.511 797 HB THR 105 HB THR 105 8.978 -1.342 -0.889 798 HG1 THR 105 HG1 THR 105 10.078 -2.234 0.727 799 1HG2 THR 105 1HG2 THR 105 10.363 -3.649 -2.267 800 2HG2 THR 105 2HG2 THR 105 8.907 -3.765 -1.279 801 3HG2 THR 105 3HG2 THR 105 8.871 -2.872 -2.800 802 H TYR 106 H TYR 106 9.037 1.012 -2.135 803 HA TYR 106 HA TYR 106 7.569 0.409 -4.463 804 1HB TYR 106 1HB TYR 106 6.717 1.887 -2.685 805 2HB TYR 106 2HB TYR 106 7.937 3.087 -3.099 806 HD1 TYR 106 HD1 TYR 106 5.028 1.246 -4.518 807 HD2 TYR 106 HD2 TYR 106 7.468 4.726 -4.699 808 HE1 TYR 106 HE1 TYR 106 3.477 2.242 -6.146 809 HE2 TYR 106 HE2 TYR 106 5.923 5.732 -6.328 810 HH TYR 106 HH TYR 106 4.236 5.014 -7.957 811 H ASN 107 H ASN 107 10.424 2.373 -3.905 812 HA ASN 107 HA ASN 107 10.619 3.636 -6.392 813 1HB ASN 107 1HB ASN 107 12.018 4.312 -4.540 814 2HB ASN 107 2HB ASN 107 12.765 2.723 -4.463 815 1HD2 ASN 107 2HD2 ASN 107 12.111 4.434 -7.460 816 2HD2 ASN 107 1HD2 ASN 107 13.768 4.702 -7.873 817 H VAL 108 H VAL 108 11.910 0.518 -5.298 818 HA VAL 108 HA VAL 108 13.201 -0.186 -7.696 819 HB VAL 108 HB VAL 108 12.016 -2.014 -5.597 820 1HG1 VAL 108 1HG1 VAL 108 13.644 -3.661 -6.409 821 2HG1 VAL 108 2HG1 VAL 108 12.489 -3.206 -7.663 822 3HG1 VAL 108 3HG1 VAL 108 14.125 -2.546 -7.687 823 1HG2 VAL 108 1HG2 VAL 108 13.596 -0.434 -4.636 824 2HG2 VAL 108 2HG2 VAL 108 14.279 -2.061 -4.656 825 3HG2 VAL 108 3HG2 VAL 108 14.796 -0.873 -5.852 826 H LEU 109 H LEU 109 9.970 -0.981 -6.464 827 HA LEU 109 HA LEU 109 9.235 -2.613 -8.651 828 1HB LEU 109 1HB LEU 109 7.506 -1.142 -6.664 829 2HB LEU 109 2HB LEU 109 6.945 -2.399 -7.752 830 HG LEU 109 HG LEU 109 9.015 -2.786 -5.585 831 1HD1 LEU 109 1HD1 LEU 109 7.277 -4.050 -4.429 832 2HD1 LEU 109 2HD1 LEU 109 6.807 -2.366 -4.650 833 3HD1 LEU 109 3HD1 LEU 109 6.120 -3.618 -5.685 834 1HD2 LEU 109 1HD2 LEU 109 9.332 -4.292 -7.473 835 2HD2 LEU 109 2HD2 LEU 109 8.731 -5.169 -6.067 836 3HD2 LEU 109 3HD2 LEU 109 7.636 -4.771 -7.392 837 H ALA 110 H ALA 110 8.975 0.834 -8.060 838 HA ALA 110 HA ALA 110 7.237 1.466 -10.192 839 1HB ALA 110 1HB ALA 110 7.756 3.047 -8.394 840 2HB ALA 110 2HB ALA 110 9.417 3.165 -8.975 841 3HB ALA 110 3HB ALA 110 8.088 3.745 -9.979 842 H SER 111 H SER 111 10.711 0.966 -10.011 843 HA SER 111 HA SER 111 11.170 1.735 -12.739 844 1HB SER 111 1HB SER 111 12.917 0.295 -10.730 845 2HB SER 111 2HB SER 111 13.453 0.807 -12.331 846 HG SER 111 HG SER 111 12.429 2.955 -11.377 847 H GLU 112 H GLU 112 10.393 -1.196 -11.025 848 HA GLU 112 HA GLU 112 11.023 -3.010 -13.121 849 1HB GLU 112 1HB GLU 112 10.756 -3.777 -10.821 850 2HB GLU 112 2HB GLU 112 9.078 -3.254 -10.813 851 1HG GLU 112 1HG GLU 112 8.462 -4.939 -12.372 852 2HG GLU 112 2HG GLU 112 10.147 -5.354 -12.679 853 H GLY 113 H GLY 113 8.148 -1.182 -12.222 854 1HA GLY 113 1HA GLY 113 6.590 -0.335 -13.765 855 2HA GLY 113 2HA GLY 113 7.181 -1.477 -14.961 856 H ARG 114 H ARG 114 6.725 -3.037 -12.070 857 HA ARG 114 HA ARG 114 4.355 -4.364 -13.062 858 1HB ARG 114 1HB ARG 114 6.183 -5.691 -12.148 859 2HB ARG 114 2HB ARG 114 6.074 -4.835 -10.618 860 1HG ARG 114 1HG ARG 114 4.041 -5.866 -10.063 861 2HG ARG 114 2HG ARG 114 3.789 -6.439 -11.714 862 1HD ARG 114 1HD ARG 114 6.126 -7.317 -10.039 863 2HD ARG 114 2HD ARG 114 4.574 -8.153 -10.007 864 HE ARG 114 HE ARG 114 4.939 -8.372 -12.526 865 1HH1 ARG 114 1HH1 ARG 114 7.619 -8.130 -10.292 866 2HH1 ARG 114 2HH1 ARG 114 8.632 -9.220 -11.185 867 1HH2 ARG 114 1HH2 ARG 114 6.278 -9.770 -13.732 868 2HH2 ARG 114 2HH2 ARG 114 7.870 -10.157 -13.147 869 H ARG 115 H ARG 115 2.364 -4.471 -11.961 870 HA ARG 115 HA ARG 115 1.575 -1.978 -10.901 871 1HB ARG 115 1HB ARG 115 0.217 -4.573 -11.404 872 2HB ARG 115 2HB ARG 115 -0.571 -3.432 -10.322 873 1HG ARG 115 1HG ARG 115 -0.553 -1.734 -12.048 874 2HG ARG 115 2HG ARG 115 0.320 -2.816 -13.132 875 1HD ARG 115 1HD ARG 115 -1.537 -4.269 -13.328 876 2HD ARG 115 2HD ARG 115 -2.366 -3.509 -11.970 877 HE ARG 115 HE ARG 115 -2.977 -1.726 -13.345 878 1HH1 ARG 115 1HH1 ARG 115 -1.011 -4.045 -15.088 879 2HH1 ARG 115 2HH1 ARG 115 -1.426 -3.419 -16.655 880 1HH2 ARG 115 1HH2 ARG 115 -3.558 -0.920 -15.406 881 2HH2 ARG 115 2HH2 ARG 115 -2.924 -1.686 -16.837 882 H VAL 116 H VAL 116 2.464 -1.372 -9.065 883 HA VAL 116 HA VAL 116 2.010 -3.035 -6.687 884 HB VAL 116 HB VAL 116 4.356 -2.561 -6.954 885 1HG1 VAL 116 1HG1 VAL 116 5.242 -0.276 -7.047 886 2HG1 VAL 116 2HG1 VAL 116 4.216 -0.642 -8.435 887 3HG1 VAL 116 3HG1 VAL 116 3.594 0.352 -7.117 888 1HG2 VAL 116 1HG2 VAL 116 4.846 -1.341 -4.882 889 2HG2 VAL 116 2HG2 VAL 116 3.178 -0.771 -4.829 890 3HG2 VAL 116 3HG2 VAL 116 3.528 -2.493 -4.669 891 H ALA 117 H ALA 117 0.770 -2.271 -5.068 892 HA ALA 117 HA ALA 117 -0.430 0.393 -5.416 893 1HB ALA 117 1HB ALA 117 -2.232 -0.402 -3.970 894 2HB ALA 117 2HB ALA 117 -2.019 -1.475 -5.354 895 3HB ALA 117 3HB ALA 117 -1.401 -1.945 -3.770 896 H LEU 118 H LEU 118 0.549 1.913 -4.243 897 HA LEU 118 HA LEU 118 1.916 1.164 -1.777 898 1HB LEU 118 1HB LEU 118 3.041 2.599 -3.480 899 2HB LEU 118 2HB LEU 118 1.834 3.836 -3.179 900 HG LEU 118 HG LEU 118 2.605 3.947 -0.812 901 1HD1 LEU 118 1HD1 LEU 118 3.559 1.706 -0.649 902 2HD1 LEU 118 2HD1 LEU 118 4.812 2.148 -1.808 903 3HD1 LEU 118 3HD1 LEU 118 4.752 2.936 -0.232 904 1HD2 LEU 118 1HD2 LEU 118 4.657 5.177 -1.300 905 2HD2 LEU 118 2HD2 LEU 118 4.717 4.448 -2.905 906 3HD2 LEU 118 3HD2 LEU 118 3.399 5.540 -2.481 907 H ALA 119 H ALA 119 0.514 0.987 -0.134 908 HA ALA 119 HA ALA 119 -1.500 3.094 0.230 909 1HB ALA 119 1HB ALA 119 -1.266 0.406 1.587 910 2HB ALA 119 2HB ALA 119 -2.570 1.571 1.812 911 3HB ALA 119 3HB ALA 119 -2.344 0.795 0.244 912 H MET 120 H MET 120 -0.577 4.751 1.273 913 HA MET 120 HA MET 120 1.337 4.188 3.413 914 1HB MET 120 1HB MET 120 0.687 6.676 1.854 915 2HB MET 120 2HB MET 120 1.637 6.734 3.329 916 1HG MET 120 1HG MET 120 2.333 5.248 0.810 917 2HG MET 120 2HG MET 120 3.068 6.739 1.398 918 1HE MET 120 1HE MET 120 5.567 5.968 1.479 919 2HE MET 120 2HE MET 120 4.988 4.568 0.577 920 3HE MET 120 3HE MET 120 6.047 4.344 1.970 921 H ILE 121 H ILE 121 0.577 4.043 5.389 922 HA ILE 121 HA ILE 121 -1.541 5.898 6.241 923 HB ILE 121 HB ILE 121 -0.436 3.473 7.686 924 1HG1 ILE 121 1HG1 ILE 121 -3.091 3.829 6.274 925 2HG1 ILE 121 2HG1 ILE 121 -1.743 2.867 5.677 926 1HG2 ILE 121 1HG2 ILE 121 -2.770 5.262 8.354 927 2HG2 ILE 121 2HG2 ILE 121 -2.325 3.791 9.218 928 3HG2 ILE 121 3HG2 ILE 121 -1.235 5.178 9.220 929 1HD1 ILE 121 1HD1 ILE 121 -3.291 2.353 8.209 930 2HD1 ILE 121 2HD1 ILE 121 -3.455 1.470 6.691 931 3HD1 ILE 121 3HD1 ILE 121 -1.947 1.384 7.604 932 H VAL 122 H VAL 122 -0.703 7.754 7.025 933 HA VAL 122 HA VAL 122 1.839 7.554 8.499 934 HB VAL 122 HB VAL 122 1.612 10.206 8.292 935 1HG1 VAL 122 1HG1 VAL 122 3.085 10.068 6.342 936 2HG1 VAL 122 2HG1 VAL 122 3.509 8.873 7.567 937 3HG1 VAL 122 3HG1 VAL 122 2.627 8.379 6.122 938 1HG2 VAL 122 1HG2 VAL 122 0.768 10.854 6.115 939 2HG2 VAL 122 2HG2 VAL 122 0.285 9.189 5.781 940 3HG2 VAL 122 3HG2 VAL 122 -0.517 10.103 7.061 941 H GLY 123 H GLY 123 1.668 7.424 10.581 942 1HA GLY 123 1HA GLY 123 -0.752 8.219 11.946 943 2HA GLY 123 2HA GLY 123 0.633 7.413 12.656 944 H GLY 124 H GLY 124 -0.239 10.498 11.215 945 1HA GLY 124 1HA GLY 124 0.888 11.877 13.541 946 2HA GLY 124 2HA GLY 124 1.523 12.297 11.953 947 H LEU 125 H LEU 125 -1.655 11.728 13.417 948 HA LEU 125 HA LEU 125 -2.826 13.750 11.694 949 1HB LEU 125 1HB LEU 125 -3.950 11.586 12.088 950 2HB LEU 125 2HB LEU 125 -4.079 11.973 13.793 951 HG LEU 125 HG LEU 125 -5.521 13.917 13.188 952 1HD1 LEU 125 1HD1 LEU 125 -6.487 13.998 10.945 953 2HD1 LEU 125 2HD1 LEU 125 -4.741 14.246 10.903 954 3HD1 LEU 125 3HD1 LEU 125 -5.422 12.687 10.439 955 1HD2 LEU 125 1HD2 LEU 125 -6.489 11.799 13.907 956 2HD2 LEU 125 2HD2 LEU 125 -7.501 12.573 12.687 957 3HD2 LEU 125 3HD2 LEU 125 -6.467 11.214 12.244 958 H GLU 126 H GLU 126 -1.590 13.490 14.874 959 HA GLU 126 HA GLU 126 -3.250 15.521 16.035 960 1HB GLU 126 1HB GLU 126 -1.753 15.343 17.986 961 2HB GLU 126 2HB GLU 126 -2.376 13.785 17.470 962 1HG GLU 126 1HG GLU 126 -0.271 13.228 16.446 963 2HG GLU 126 2HG GLU 126 0.361 14.837 16.793 964 H HIS 127 H HIS 127 -1.716 17.158 17.420 965 HA HIS 127 HA HIS 127 -0.060 18.608 15.482 966 1HB HIS 127 1HB HIS 127 -1.202 20.704 16.018 967 2HB HIS 127 2HB HIS 127 -2.359 19.534 15.403 968 HD1 HIS 127 HD1 HIS 127 -3.917 18.370 17.310 969 HD2 HIS 127 HD2 HIS 127 -1.853 21.810 18.422 970 HE1 HIS 127 HE1 HIS 127 -5.032 19.188 19.412 971 HE2 HIS 127 HE2 HIS 127 -3.891 21.372 19.953 972 H HIS 128 H HIS 128 0.169 20.897 17.308 973 HA HIS 128 HA HIS 128 2.195 20.434 19.052 974 1HB HIS 128 1HB HIS 128 0.579 22.537 18.556 975 2HB HIS 128 2HB HIS 128 -0.057 22.066 20.123 976 HD1 HIS 128 HD1 HIS 128 0.777 24.289 21.123 977 HD2 HIS 128 HD2 HIS 128 3.801 21.849 19.642 978 HE1 HIS 128 HE1 HIS 128 2.928 25.322 21.916 979 HE2 HIS 128 HE2 HIS 128 4.728 23.728 21.175 980 H HIS 129 H HIS 129 2.460 18.964 20.675 981 HA HIS 129 HA HIS 129 0.292 17.182 21.119 982 1HB HIS 129 1HB HIS 129 2.715 16.528 20.907 983 2HB HIS 129 2HB HIS 129 2.959 17.155 22.534 984 HD1 HIS 129 HD1 HIS 129 1.381 14.309 20.656 985 HD2 HIS 129 HD2 HIS 129 1.966 15.556 24.591 986 HE1 HIS 129 HE1 HIS 129 0.785 12.335 22.101 987 HE2 HIS 129 HE2 HIS 129 0.885 13.212 24.464 988 H HIS 130 H HIS 130 2.300 18.781 23.625 989 HA HIS 130 HA HIS 130 -0.140 19.280 25.155 990 1HB HIS 130 1HB HIS 130 0.711 16.988 25.755 991 2HB HIS 130 2HB HIS 130 2.177 17.751 26.356 992 HD1 HIS 130 HD1 HIS 130 1.888 17.174 28.795 993 HD2 HIS 130 HD2 HIS 130 -1.429 19.094 27.184 994 HE1 HIS 130 HE1 HIS 130 0.393 17.700 30.750 995 HE2 HIS 130 HE2 HIS 130 -1.694 18.675 29.724 996 H HIS 131 H HIS 131 3.316 19.701 24.753 997 HA HIS 131 HA HIS 131 3.584 21.772 26.701 998 1HB HIS 131 1HB HIS 131 5.494 20.399 25.932 999 2HB HIS 131 2HB HIS 131 5.340 21.097 24.326 1000 HD1 HIS 131 HD1 HIS 131 6.524 21.874 27.789 1001 HD2 HIS 131 HD2 HIS 131 6.389 23.678 24.043 1002 HE1 HIS 131 HE1 HIS 131 8.017 23.894 27.951 1003 HE2 HIS 131 HE2 HIS 131 7.711 25.094 25.754 1004 H HIS 132 H HIS 132 3.548 23.982 26.439 1005 HA HIS 132 HA HIS 132 2.630 24.963 23.811 1006 1HB HIS 132 1HB HIS 132 0.915 25.156 25.616 1007 2HB HIS 132 2HB HIS 132 2.028 26.170 26.525 1008 HD1 HIS 132 HD1 HIS 132 2.333 28.619 25.728 1009 HD2 HIS 132 HD2 HIS 132 -0.313 26.393 23.411 1010 HE1 HIS 132 HE1 HIS 132 1.117 30.286 24.297 1011 HE2 HIS 132 HE2 HIS 132 -0.577 28.939 23.002 Start of MODEL 2 1 1H MET 1 1HT MET 1 19.450 21.787 -21.681 2 2H MET 1 2HT MET 1 19.417 20.662 -20.418 3 3H MET 1 3HT MET 1 20.678 20.622 -21.547 4 HA MET 1 HA MET 1 21.545 21.602 -19.600 5 1HB MET 1 1HB MET 1 20.846 23.707 -21.660 6 2HB MET 1 2HB MET 1 22.040 23.925 -20.388 7 1HG MET 1 1HG MET 1 22.174 21.800 -22.515 8 2HG MET 1 2HG MET 1 23.011 23.350 -22.584 9 1HE MET 1 1HE MET 1 23.943 23.830 -19.627 10 2HE MET 1 2HE MET 1 25.017 24.035 -21.011 11 3HE MET 1 3HE MET 1 25.538 23.079 -19.624 12 HA PRO 2 HA PRO 2 18.570 23.151 -16.756 13 1HB PRO 2 1HB PRO 2 20.267 24.251 -14.924 14 2HB PRO 2 2HB PRO 2 19.970 22.516 -15.072 15 1HG PRO 2 1HG PRO 2 22.247 24.145 -16.120 16 2HG PRO 2 2HG PRO 2 22.268 22.540 -15.365 17 1HD PRO 2 1HD PRO 2 22.444 22.889 -18.039 18 2HD PRO 2 2HD PRO 2 21.649 21.479 -17.313 19 H LEU 3 H LEU 3 20.746 25.231 -18.423 20 HA LEU 3 HA LEU 3 19.710 27.685 -17.316 21 1HB LEU 3 1HB LEU 3 21.536 27.107 -19.647 22 2HB LEU 3 2HB LEU 3 21.024 28.727 -19.222 23 HG LEU 3 HG LEU 3 23.165 28.494 -18.296 24 1HD1 LEU 3 1HD1 LEU 3 22.817 28.593 -15.886 25 2HD1 LEU 3 2HD1 LEU 3 21.579 29.498 -16.757 26 3HD1 LEU 3 3HD1 LEU 3 21.204 27.910 -16.087 27 1HD2 LEU 3 1HD2 LEU 3 23.862 26.615 -16.895 28 2HD2 LEU 3 2HD2 LEU 3 22.305 25.835 -17.168 29 3HD2 LEU 3 3HD2 LEU 3 23.413 26.089 -18.517 30 H ASN 4 H ASN 4 17.629 26.223 -18.102 31 HA ASN 4 HA ASN 4 16.083 27.810 -19.770 32 1HB ASN 4 1HB ASN 4 17.545 26.983 -21.602 33 2HB ASN 4 2HB ASN 4 17.129 25.327 -21.173 34 1HD2 ASN 4 2HD2 ASN 4 16.056 28.265 -22.644 35 2HD2 ASN 4 1HD2 ASN 4 14.636 27.616 -23.388 36 H GLN 5 H GLN 5 16.683 24.351 -19.376 37 HA GLN 5 HA GLN 5 14.513 24.036 -17.517 38 1HB GLN 5 1HB GLN 5 13.374 23.934 -19.750 39 2HB GLN 5 2HB GLN 5 14.399 22.566 -20.162 40 1HG GLN 5 1HG GLN 5 13.455 21.324 -18.258 41 2HG GLN 5 2HG GLN 5 12.377 22.683 -17.939 42 1HE2 GLN 5 2HE2 GLN 5 10.515 21.551 -18.296 43 2HE2 GLN 5 1HE2 GLN 5 10.036 20.964 -19.857 44 H GLU 6 H GLU 6 15.543 22.845 -16.014 45 HA GLU 6 HA GLU 6 18.002 21.648 -16.439 46 1HB GLU 6 1HB GLU 6 17.640 20.526 -14.223 47 2HB GLU 6 2HB GLU 6 17.436 22.270 -14.228 48 1HG GLU 6 1HG GLU 6 15.087 22.092 -14.079 49 2HG GLU 6 2HG GLU 6 15.125 20.366 -14.441 50 H HIS 7 H HIS 7 15.038 19.790 -15.682 51 HA HIS 7 HA HIS 7 15.413 17.913 -17.756 52 1HB HIS 7 1HB HIS 7 17.378 17.324 -16.312 53 2HB HIS 7 2HB HIS 7 16.257 16.954 -15.008 54 HD1 HIS 7 HD1 HIS 7 15.469 14.592 -14.887 55 HD2 HIS 7 HD2 HIS 7 16.960 15.573 -18.649 56 HE1 HIS 7 HE1 HIS 7 15.491 12.446 -16.193 57 HE2 HIS 7 HE2 HIS 7 16.190 13.105 -18.521 58 HA PRO 8 HA PRO 8 11.115 17.436 -16.472 59 1HB PRO 8 1HB PRO 8 11.443 15.100 -18.299 60 2HB PRO 8 2HB PRO 8 10.169 16.326 -18.259 61 1HG PRO 8 1HG PRO 8 12.052 16.401 -20.134 62 2HG PRO 8 2HG PRO 8 11.466 17.896 -19.379 63 1HD PRO 8 1HD PRO 8 14.017 16.411 -18.918 64 2HD PRO 8 2HD PRO 8 13.715 18.161 -18.936 65 H ASP 9 H ASP 9 10.547 16.464 -14.646 66 HA ASP 9 HA ASP 9 12.174 14.333 -13.579 67 1HB ASP 9 1HB ASP 9 11.389 16.259 -12.196 68 2HB ASP 9 2HB ASP 9 9.742 15.663 -12.368 69 H TYR 10 H TYR 10 11.530 12.240 -13.155 70 HA TYR 10 HA TYR 10 9.107 11.430 -14.620 71 1HB TYR 10 1HB TYR 10 11.629 9.860 -14.060 72 2HB TYR 10 2HB TYR 10 10.218 9.236 -14.907 73 HD1 TYR 10 HD1 TYR 10 13.365 10.759 -15.295 74 HD2 TYR 10 HD2 TYR 10 9.473 10.639 -17.011 75 HE1 TYR 10 HE1 TYR 10 14.280 11.598 -17.415 76 HE2 TYR 10 HE2 TYR 10 10.380 11.476 -19.139 77 HH TYR 10 HH TYR 10 12.381 12.821 -19.890 78 H THR 11 H THR 11 9.651 12.123 -11.621 79 HA THR 11 HA THR 11 8.395 9.663 -10.583 80 HB THR 11 HB THR 11 9.243 10.200 -8.372 81 HG1 THR 11 HG1 THR 11 10.068 12.587 -9.652 82 1HG2 THR 11 1HG2 THR 11 10.695 8.872 -9.809 83 2HG2 THR 11 2HG2 THR 11 11.423 10.341 -10.457 84 3HG2 THR 11 3HG2 THR 11 11.654 9.916 -8.760 85 H TYR 12 H TYR 12 7.266 10.457 -8.311 86 HA TYR 12 HA TYR 12 5.447 12.624 -9.116 87 1HB TYR 12 1HB TYR 12 4.945 10.203 -7.372 88 2HB TYR 12 2HB TYR 12 3.799 11.528 -7.565 89 HD1 TYR 12 HD1 TYR 12 2.880 12.007 -9.866 90 HD2 TYR 12 HD2 TYR 12 5.077 8.471 -8.984 91 HE1 TYR 12 HE1 TYR 12 1.991 10.956 -11.901 92 HE2 TYR 12 HE2 TYR 12 4.191 7.409 -11.018 93 HH TYR 12 HH TYR 12 2.245 7.632 -12.526 94 H ALA 13 H ALA 13 8.017 12.861 -7.812 95 HA ALA 13 HA ALA 13 9.010 14.177 -6.272 96 1HB ALA 13 1HB ALA 13 7.265 15.779 -6.883 97 2HB ALA 13 2HB ALA 13 6.225 15.120 -5.621 98 3HB ALA 13 3HB ALA 13 7.734 15.924 -5.189 99 H LEU 14 H LEU 14 7.315 11.564 -5.490 100 HA LEU 14 HA LEU 14 7.274 11.786 -2.634 101 1HB LEU 14 1HB LEU 14 5.777 10.234 -3.817 102 2HB LEU 14 2HB LEU 14 7.165 9.332 -4.395 103 HG LEU 14 HG LEU 14 7.734 8.819 -2.004 104 1HD1 LEU 14 1HD1 LEU 14 6.533 10.660 -0.954 105 2HD1 LEU 14 2HD1 LEU 14 4.998 9.973 -1.486 106 3HD1 LEU 14 3HD1 LEU 14 5.997 9.105 -0.319 107 1HD2 LEU 14 1HD2 LEU 14 5.042 7.899 -2.996 108 2HD2 LEU 14 2HD2 LEU 14 6.603 7.196 -3.417 109 3HD2 LEU 14 3HD2 LEU 14 6.011 7.100 -1.759 110 H ARG 15 H ARG 15 9.446 12.643 -2.484 111 HA ARG 15 HA ARG 15 11.425 10.473 -2.317 112 1HB ARG 15 1HB ARG 15 11.941 13.328 -3.180 113 2HB ARG 15 2HB ARG 15 13.181 12.108 -2.924 114 1HG ARG 15 1HG ARG 15 12.162 10.749 -4.717 115 2HG ARG 15 2HG ARG 15 11.007 12.049 -5.007 116 1HD ARG 15 1HD ARG 15 14.002 12.332 -5.204 117 2HD ARG 15 2HD ARG 15 12.933 12.049 -6.574 118 HE ARG 15 HE ARG 15 12.856 14.479 -4.884 119 1HH1 ARG 15 1HH1 ARG 15 12.469 12.843 -7.955 120 2HH1 ARG 15 2HH1 ARG 15 12.197 14.298 -8.865 121 1HH2 ARG 15 1HH2 ARG 15 12.493 16.421 -6.069 122 2HH2 ARG 15 2HH2 ARG 15 12.220 16.342 -7.787 123 H ALA 16 H ALA 16 9.531 12.341 -0.572 124 HA ALA 16 HA ALA 16 11.551 12.844 1.507 125 1HB ALA 16 1HB ALA 16 8.867 14.180 1.148 126 2HB ALA 16 2HB ALA 16 10.035 14.524 2.424 127 3HB ALA 16 3HB ALA 16 10.433 14.885 0.744 128 H ALA 17 H ALA 17 11.554 10.997 2.648 129 HA ALA 17 HA ALA 17 8.959 9.986 3.617 130 1HB ALA 17 1HB ALA 17 9.984 7.785 3.794 131 2HB ALA 17 2HB ALA 17 10.120 8.401 2.147 132 3HB ALA 17 3HB ALA 17 11.519 8.439 3.221 133 H ASP 18 H ASP 18 8.636 10.601 5.633 134 HA ASP 18 HA ASP 18 10.938 10.809 7.451 135 1HB ASP 18 1HB ASP 18 9.835 12.883 7.411 136 2HB ASP 18 2HB ASP 18 8.241 12.137 7.393 137 H GLY 19 H GLY 19 7.741 9.398 7.079 138 1HA GLY 19 1HA GLY 19 7.420 7.182 8.136 139 2HA GLY 19 2HA GLY 19 8.206 7.858 9.560 140 H ARG 20 H ARG 20 7.097 10.148 10.066 141 HA ARG 20 HA ARG 20 4.226 9.570 10.379 142 1HB ARG 20 1HB ARG 20 5.627 10.056 12.411 143 2HB ARG 20 2HB ARG 20 5.917 11.666 11.772 144 1HG ARG 20 1HG ARG 20 3.532 12.155 11.887 145 2HG ARG 20 2HG ARG 20 3.226 10.530 12.506 146 1HD ARG 20 1HD ARG 20 4.910 12.647 13.838 147 2HD ARG 20 2HD ARG 20 3.277 12.176 14.310 148 HE ARG 20 HE ARG 20 4.873 9.877 14.319 149 1HH1 ARG 20 1HH1 ARG 20 4.660 12.919 16.062 150 2HH1 ARG 20 2HH1 ARG 20 5.241 12.231 17.549 151 1HH2 ARG 20 1HH2 ARG 20 5.659 9.001 16.223 152 2HH2 ARG 20 2HH2 ARG 20 5.854 10.006 17.637 153 H HIS 21 H HIS 21 6.285 11.108 8.374 154 HA HIS 21 HA HIS 21 4.208 12.951 7.435 155 1HB HIS 21 1HB HIS 21 7.144 13.686 7.613 156 2HB HIS 21 2HB HIS 21 5.848 14.704 7.001 157 HD1 HIS 21 HD1 HIS 21 7.273 13.333 10.200 158 HD2 HIS 21 HD2 HIS 21 4.393 16.069 8.949 159 HE1 HIS 21 HE1 HIS 21 6.616 14.623 12.259 160 HE2 HIS 21 HE2 HIS 21 4.786 16.184 11.510 161 H ALA 22 H ALA 22 3.999 12.974 5.245 162 HA ALA 22 HA ALA 22 6.120 11.851 3.576 163 1HB ALA 22 1HB ALA 22 3.267 10.863 3.500 164 2HB ALA 22 2HB ALA 22 4.556 10.394 2.390 165 3HB ALA 22 3HB ALA 22 4.658 9.956 4.096 166 H LYS 23 H LYS 23 6.055 12.615 1.418 167 HA LYS 23 HA LYS 23 4.040 14.702 0.931 168 1HB LYS 23 1HB LYS 23 6.379 15.535 1.640 169 2HB LYS 23 2HB LYS 23 6.894 15.014 0.043 170 1HG LYS 23 1HG LYS 23 5.180 16.483 -0.956 171 2HG LYS 23 2HG LYS 23 4.774 17.058 0.662 172 1HD LYS 23 1HD LYS 23 7.167 17.768 0.909 173 2HD LYS 23 2HD LYS 23 7.389 17.381 -0.800 174 1HE LYS 23 1HE LYS 23 5.528 18.958 -1.322 175 2HE LYS 23 2HE LYS 23 5.515 19.426 0.378 176 1HZ LYS 23 1HZ LYS 23 7.925 20.009 0.066 177 2HZ LYS 23 2HZ LYS 23 7.677 19.830 -1.603 178 3HZ LYS 23 3HZ LYS 23 6.818 21.009 -0.737 179 H VAL 24 H VAL 24 2.910 14.228 -0.807 180 HA VAL 24 HA VAL 24 4.258 12.903 -3.074 181 HB VAL 24 HB VAL 24 1.300 12.924 -2.424 182 1HG1 VAL 24 1HG1 VAL 24 1.726 12.843 -4.825 183 2HG1 VAL 24 2HG1 VAL 24 2.815 11.475 -4.596 184 3HG1 VAL 24 3HG1 VAL 24 1.095 11.301 -4.246 185 1HG2 VAL 24 1HG2 VAL 24 3.323 10.697 -2.208 186 2HG2 VAL 24 2HG2 VAL 24 2.550 11.536 -0.863 187 3HG2 VAL 24 3HG2 VAL 24 1.586 10.537 -1.950 188 H ASN 25 H ASN 25 4.506 14.079 -4.852 189 HA ASN 25 HA ASN 25 4.592 15.877 -6.214 190 1HB ASN 25 1HB ASN 25 1.686 15.923 -5.454 191 2HB ASN 25 2HB ASN 25 2.364 17.188 -6.472 192 1HD2 ASN 25 2HD2 ASN 25 1.205 16.648 -8.266 193 2HD2 ASN 25 1HD2 ASN 25 1.468 15.192 -9.160 194 H GLU 26 H GLU 26 2.261 17.377 -4.040 195 HA GLU 26 HA GLU 26 4.374 19.010 -2.859 196 1HB GLU 26 1HB GLU 26 3.379 20.084 -4.979 197 2HB GLU 26 2HB GLU 26 1.925 20.320 -4.020 198 1HG GLU 26 1HG GLU 26 3.240 21.617 -2.395 199 2HG GLU 26 2HG GLU 26 4.658 21.425 -3.426 200 H GLN 27 H GLN 27 1.989 16.987 -2.307 201 HA GLN 27 HA GLN 27 0.679 18.552 -0.190 202 1HB GLN 27 1HB GLN 27 -0.119 15.887 -1.376 203 2HB GLN 27 2HB GLN 27 -1.029 16.795 -0.180 204 1HG GLN 27 1HG GLN 27 -0.416 17.857 -2.923 205 2HG GLN 27 2HG GLN 27 -1.854 16.911 -2.558 206 1HE2 GLN 27 2HE2 GLN 27 -0.413 19.295 -0.399 207 2HE2 GLN 27 1HE2 GLN 27 -1.721 20.420 -0.481 208 H ILE 28 H ILE 28 1.144 18.144 1.882 209 HA ILE 28 HA ILE 28 2.824 15.845 2.523 210 HB ILE 28 HB ILE 28 1.978 18.163 4.280 211 1HG1 ILE 28 1HG1 ILE 28 4.607 17.613 2.876 212 2HG1 ILE 28 2HG1 ILE 28 3.437 18.842 2.408 213 1HG2 ILE 28 1HG2 ILE 28 3.734 17.363 5.800 214 2HG2 ILE 28 2HG2 ILE 28 2.470 16.155 5.568 215 3HG2 ILE 28 3HG2 ILE 28 4.016 15.984 4.738 216 1HD1 ILE 28 1HD1 ILE 28 3.793 19.984 4.533 217 2HD1 ILE 28 2HD1 ILE 28 4.969 18.754 4.995 218 3HD1 ILE 28 3HD1 ILE 28 5.295 19.813 3.623 219 H LEU 29 H LEU 29 1.691 14.042 2.820 220 HA LEU 29 HA LEU 29 -0.960 14.232 4.049 221 1HB LEU 29 1HB LEU 29 0.328 11.985 2.506 222 2HB LEU 29 2HB LEU 29 -1.279 11.926 3.205 223 HG LEU 29 HG LEU 29 -1.313 14.228 1.655 224 1HD1 LEU 29 1HD1 LEU 29 -0.554 13.491 -0.549 225 2HD1 LEU 29 2HD1 LEU 29 0.781 13.598 0.598 226 3HD1 LEU 29 3HD1 LEU 29 0.110 12.024 0.170 227 1HD2 LEU 29 1HD2 LEU 29 -2.840 12.947 0.246 228 2HD2 LEU 29 2HD2 LEU 29 -2.268 11.450 0.982 229 3HD2 LEU 29 3HD2 LEU 29 -3.128 12.639 1.959 230 H GLN 30 H GLN 30 -1.239 13.677 6.068 231 HA GLN 30 HA GLN 30 0.681 11.835 7.330 232 1HB GLN 30 1HB GLN 30 0.115 12.959 9.471 233 2HB GLN 30 2HB GLN 30 0.856 14.047 8.307 234 1HG GLN 30 1HG GLN 30 -1.405 14.880 7.723 235 2HG GLN 30 2HG GLN 30 -2.065 13.870 9.009 236 1HE2 GLN 30 2HE2 GLN 30 -1.659 14.414 11.156 237 2HE2 GLN 30 1HE2 GLN 30 -1.092 15.983 11.615 238 H GLN 31 H GLN 31 -1.728 11.235 5.816 239 HA GLN 31 HA GLN 31 -3.297 9.872 7.899 240 1HB GLN 31 1HB GLN 31 -4.343 11.074 5.321 241 2HB GLN 31 2HB GLN 31 -5.298 10.166 6.483 242 1HG GLN 31 1HG GLN 31 -4.864 11.889 8.172 243 2HG GLN 31 2HG GLN 31 -3.948 12.809 6.979 244 1HE2 GLN 31 2HE2 GLN 31 -5.331 14.568 7.120 245 2HE2 GLN 31 1HE2 GLN 31 -6.926 14.550 6.458 246 H SER 32 H SER 32 -4.917 8.523 5.870 247 HA SER 32 HA SER 32 -2.909 6.608 4.908 248 1HB SER 32 1HB SER 32 -5.887 6.168 5.232 249 2HB SER 32 2HB SER 32 -4.648 4.943 4.968 250 HG SER 32 HG SER 32 -5.479 5.345 7.210 251 H PHE 33 H PHE 33 -2.580 6.422 2.757 252 HA PHE 33 HA PHE 33 -4.768 6.933 0.916 253 1HB PHE 33 1HB PHE 33 -3.511 8.516 -0.459 254 2HB PHE 33 2HB PHE 33 -3.735 9.151 1.166 255 HD1 PHE 33 HD1 PHE 33 -1.818 9.140 2.757 256 HD2 PHE 33 HD2 PHE 33 -1.365 8.163 -1.359 257 HE1 PHE 33 HE1 PHE 33 0.604 9.534 2.935 258 HE2 PHE 33 HE2 PHE 33 1.056 8.553 -1.189 259 HZ PHE 33 HZ PHE 33 2.044 9.239 0.959 260 H ILE 34 H ILE 34 -4.440 6.065 -1.173 261 HA ILE 34 HA ILE 34 -2.290 4.056 -1.279 262 HB ILE 34 HB ILE 34 -4.863 4.133 -2.869 263 1HG1 ILE 34 1HG1 ILE 34 -4.135 2.376 -0.513 264 2HG1 ILE 34 2HG1 ILE 34 -5.214 3.764 -0.428 265 1HG2 ILE 34 1HG2 ILE 34 -4.285 1.815 -3.457 266 2HG2 ILE 34 2HG2 ILE 34 -3.076 2.967 -4.025 267 3HG2 ILE 34 3HG2 ILE 34 -2.758 1.989 -2.593 268 1HD1 ILE 34 1HD1 ILE 34 -6.461 1.689 -0.535 269 2HD1 ILE 34 2HD1 ILE 34 -6.746 2.662 -1.978 270 3HD1 ILE 34 3HD1 ILE 34 -5.664 1.272 -2.053 271 H LEU 35 H LEU 35 -0.610 4.743 -2.432 272 HA LEU 35 HA LEU 35 -1.111 6.432 -4.786 273 1HB LEU 35 1HB LEU 35 0.383 7.424 -3.152 274 2HB LEU 35 2HB LEU 35 1.398 5.995 -3.165 275 HG LEU 35 HG LEU 35 1.998 6.465 -5.519 276 1HD1 LEU 35 1HD1 LEU 35 -0.013 7.674 -6.180 277 2HD1 LEU 35 2HD1 LEU 35 0.421 9.001 -5.102 278 3HD1 LEU 35 3HD1 LEU 35 1.434 8.631 -6.498 279 1HD2 LEU 35 1HD2 LEU 35 3.397 7.268 -3.677 280 2HD2 LEU 35 2HD2 LEU 35 3.442 8.362 -5.061 281 3HD2 LEU 35 3HD2 LEU 35 2.478 8.773 -3.643 282 H MET 36 H MET 36 -0.832 5.616 -6.744 283 HA MET 36 HA MET 36 0.886 3.245 -7.047 284 1HB MET 36 1HB MET 36 -1.697 3.849 -8.510 285 2HB MET 36 2HB MET 36 -0.614 2.520 -8.896 286 1HG MET 36 1HG MET 36 -0.991 1.602 -6.638 287 2HG MET 36 2HG MET 36 -2.145 2.898 -6.333 288 1HE MET 36 1HE MET 36 -1.365 -0.345 -8.396 289 2HE MET 36 2HE MET 36 -1.528 0.876 -9.657 290 3HE MET 36 3HE MET 36 -2.734 -0.402 -9.508 291 HA PRO 37 HA PRO 37 3.149 5.493 -10.095 292 1HB PRO 37 1HB PRO 37 3.019 3.161 -11.909 293 2HB PRO 37 2HB PRO 37 4.426 3.954 -11.194 294 1HG PRO 37 1HG PRO 37 3.611 1.555 -10.343 295 2HG PRO 37 2HG PRO 37 4.259 2.762 -9.217 296 1HD PRO 37 1HD PRO 37 1.412 1.993 -9.739 297 2HD PRO 37 2HD PRO 37 2.219 2.344 -8.197 298 H ASP 38 H ASP 38 0.029 4.432 -10.700 299 HA ASP 38 HA ASP 38 -0.080 5.918 -13.236 300 1HB ASP 38 1HB ASP 38 -1.610 3.509 -12.311 301 2HB ASP 38 2HB ASP 38 -2.310 4.594 -13.506 302 H GLU 39 H GLU 39 -2.197 5.006 -10.509 303 HA GLU 39 HA GLU 39 -3.414 7.672 -10.718 304 1HB GLU 39 1HB GLU 39 -4.837 5.070 -10.127 305 2HB GLU 39 2HB GLU 39 -5.585 6.662 -10.173 306 1HG GLU 39 1HG GLU 39 -4.991 6.853 -12.548 307 2HG GLU 39 2HG GLU 39 -4.298 5.233 -12.490 308 H LEU 40 H LEU 40 -4.398 8.482 -8.774 309 HA LEU 40 HA LEU 40 -3.151 7.408 -6.328 310 1HB LEU 40 1HB LEU 40 -2.231 9.566 -6.874 311 2HB LEU 40 2HB LEU 40 -3.831 10.244 -7.106 312 HG LEU 40 HG LEU 40 -4.276 9.944 -4.684 313 1HD1 LEU 40 1HD1 LEU 40 -1.372 9.143 -4.576 314 2HD1 LEU 40 2HD1 LEU 40 -2.394 9.488 -3.181 315 3HD1 LEU 40 3HD1 LEU 40 -2.757 8.111 -4.221 316 1HD2 LEU 40 1HD2 LEU 40 -1.821 11.561 -5.356 317 2HD2 LEU 40 2HD2 LEU 40 -3.496 12.081 -5.545 318 3HD2 LEU 40 3HD2 LEU 40 -2.843 11.777 -3.935 319 H VAL 41 H VAL 41 -4.487 6.714 -4.784 320 HA VAL 41 HA VAL 41 -7.273 7.679 -4.818 321 HB VAL 41 HB VAL 41 -6.373 4.901 -4.026 322 1HG1 VAL 41 1HG1 VAL 41 -8.322 5.636 -2.781 323 2HG1 VAL 41 2HG1 VAL 41 -9.130 6.101 -4.279 324 3HG1 VAL 41 3HG1 VAL 41 -8.781 4.403 -3.955 325 1HG2 VAL 41 1HG2 VAL 41 -6.188 5.222 -6.438 326 2HG2 VAL 41 2HG2 VAL 41 -7.521 4.133 -6.049 327 3HG2 VAL 41 3HG2 VAL 41 -7.851 5.807 -6.497 328 H GLU 42 H GLU 42 -7.028 9.217 -3.219 329 HA GLU 42 HA GLU 42 -6.049 8.241 -0.626 330 1HB GLU 42 1HB GLU 42 -5.398 10.395 -0.064 331 2HB GLU 42 2HB GLU 42 -5.063 10.341 -1.783 332 1HG GLU 42 1HG GLU 42 -7.324 11.728 -0.379 333 2HG GLU 42 2HG GLU 42 -6.012 12.446 -1.305 334 H HIS 43 H HIS 43 -8.805 8.291 -2.171 335 HA HIS 43 HA HIS 43 -10.531 9.354 -0.087 336 1HB HIS 43 1HB HIS 43 -11.138 7.887 -2.667 337 2HB HIS 43 2HB HIS 43 -12.375 8.411 -1.535 338 HD1 HIS 43 HD1 HIS 43 -12.598 11.067 -1.229 339 HD2 HIS 43 HD2 HIS 43 -10.335 9.764 -4.462 340 HE1 HIS 43 HE1 HIS 43 -12.386 13.058 -2.755 341 HE2 HIS 43 HE2 HIS 43 -10.794 12.301 -4.562 342 H TRP 44 H TRP 44 -8.884 7.493 0.980 343 HA TRP 44 HA TRP 44 -10.454 5.003 1.110 344 1HB TRP 44 1HB TRP 44 -8.092 4.935 0.155 345 2HB TRP 44 2HB TRP 44 -7.523 5.308 1.776 346 HD1 TRP 44 HD1 TRP 44 -10.234 2.726 0.735 347 HE1 TRP 44 HE1 TRP 44 -9.504 0.416 1.620 348 HE3 TRP 44 HE3 TRP 44 -5.695 4.018 2.711 349 HZ2 TRP 44 HZ2 TRP 44 -7.291 -0.700 2.971 350 HZ3 TRP 44 HZ3 TRP 44 -4.333 2.265 3.779 351 HH2 TRP 44 HH2 TRP 44 -5.117 -0.042 3.905 352 HA PRO 45 HA PRO 45 -11.041 6.837 5.193 353 1HB PRO 45 1HB PRO 45 -13.394 5.172 5.425 354 2HB PRO 45 2HB PRO 45 -13.294 6.922 5.226 355 1HG PRO 45 1HG PRO 45 -14.262 5.236 3.307 356 2HG PRO 45 2HG PRO 45 -13.516 6.804 2.952 357 1HD PRO 45 1HD PRO 45 -12.325 4.057 2.797 358 2HD PRO 45 2HD PRO 45 -12.148 5.428 1.678 359 H VAL 46 H VAL 46 -9.079 5.283 5.549 360 HA VAL 46 HA VAL 46 -9.972 3.368 7.602 361 HB VAL 46 HB VAL 46 -7.531 3.058 5.840 362 1HG1 VAL 46 1HG1 VAL 46 -7.258 0.888 6.962 363 2HG1 VAL 46 2HG1 VAL 46 -7.126 2.234 8.096 364 3HG1 VAL 46 3HG1 VAL 46 -8.607 1.279 8.028 365 1HG2 VAL 46 1HG2 VAL 46 -8.669 1.084 4.953 366 2HG2 VAL 46 2HG2 VAL 46 -10.079 1.447 5.949 367 3HG2 VAL 46 3HG2 VAL 46 -9.605 2.550 4.658 368 HA PRO 47 HA PRO 47 -7.506 6.499 9.779 369 1HB PRO 47 1HB PRO 47 -8.995 5.660 12.131 370 2HB PRO 47 2HB PRO 47 -9.002 7.226 11.317 371 1HG PRO 47 1HG PRO 47 -11.134 5.535 11.302 372 2HG PRO 47 2HG PRO 47 -10.788 6.674 9.989 373 1HD PRO 47 1HD PRO 47 -10.239 3.733 10.145 374 2HD PRO 47 2HD PRO 47 -10.834 4.699 8.776 375 H SER 48 H SER 48 -5.550 5.467 9.798 376 HA SER 48 HA SER 48 -3.759 4.379 10.650 377 1HB SER 48 1HB SER 48 -5.493 3.834 13.073 378 2HB SER 48 2HB SER 48 -3.735 3.713 12.993 379 HG SER 48 HG SER 48 -5.365 6.008 12.930 380 H LEU 49 H LEU 49 -2.949 2.175 11.184 381 HA LEU 49 HA LEU 49 -4.525 0.238 9.731 382 1HB LEU 49 1HB LEU 49 -2.075 0.481 9.381 383 2HB LEU 49 2HB LEU 49 -1.813 -0.094 11.017 384 HG LEU 49 HG LEU 49 -2.845 -2.252 10.417 385 1HD1 LEU 49 1HD1 LEU 49 -4.331 -1.483 8.654 386 2HD1 LEU 49 2HD1 LEU 49 -2.945 -1.091 7.638 387 3HD1 LEU 49 3HD1 LEU 49 -3.278 -2.769 8.065 388 1HD2 LEU 49 1HD2 LEU 49 -0.583 -1.391 8.621 389 2HD2 LEU 49 2HD2 LEU 49 -0.437 -1.999 10.270 390 3HD2 LEU 49 3HD2 LEU 49 -1.026 -3.059 8.989 391 H GLY 50 H GLY 50 -6.051 0.688 11.742 392 1HA GLY 50 1HA GLY 50 -5.768 -1.748 13.374 393 2HA GLY 50 2HA GLY 50 -6.164 -0.222 14.152 394 H GLN 51 H GLN 51 -7.586 -0.080 11.211 395 HA GLN 51 HA GLN 51 -10.071 -1.352 12.129 396 1HB GLN 51 1HB GLN 51 -10.071 1.115 12.553 397 2HB GLN 51 2HB GLN 51 -9.862 1.376 10.829 398 1HG GLN 51 1HG GLN 51 -12.015 0.425 10.367 399 2HG GLN 51 2HG GLN 51 -12.214 -0.050 12.053 400 1HE2 GLN 51 2HE2 GLN 51 -11.118 2.386 13.131 401 2HE2 GLN 51 1HE2 GLN 51 -12.303 3.618 12.871 402 H LEU 52 H LEU 52 -7.884 -1.991 10.155 403 HA LEU 52 HA LEU 52 -9.155 -1.697 7.583 404 1HB LEU 52 1HB LEU 52 -6.713 -1.561 7.764 405 2HB LEU 52 2HB LEU 52 -6.661 -3.211 8.355 406 HG LEU 52 HG LEU 52 -7.524 -4.019 6.200 407 1HD1 LEU 52 1HD1 LEU 52 -7.680 -2.497 4.293 408 2HD1 LEU 52 2HD1 LEU 52 -8.835 -2.077 5.558 409 3HD1 LEU 52 3HD1 LEU 52 -7.360 -1.129 5.360 410 1HD2 LEU 52 1HD2 LEU 52 -5.120 -3.896 6.534 411 2HD2 LEU 52 2HD2 LEU 52 -5.535 -3.543 4.855 412 3HD2 LEU 52 3HD2 LEU 52 -5.111 -2.230 5.954 413 H GLN 53 H GLN 53 -11.079 -2.810 7.894 414 HA GLN 53 HA GLN 53 -10.977 -5.692 8.242 415 1HB GLN 53 1HB GLN 53 -13.281 -3.805 7.700 416 2HB GLN 53 2HB GLN 53 -13.453 -5.540 7.923 417 1HG GLN 53 1HG GLN 53 -12.506 -5.309 10.187 418 2HG GLN 53 2HG GLN 53 -12.451 -3.562 9.956 419 1HE2 GLN 53 2HE2 GLN 53 -14.381 -2.392 9.928 420 2HE2 GLN 53 1HE2 GLN 53 -15.863 -3.066 10.508 421 HA PRO 54 HA PRO 54 -10.747 -6.925 4.024 422 1HB PRO 54 1HB PRO 54 -13.324 -8.379 4.346 423 2HB PRO 54 2HB PRO 54 -11.757 -8.975 3.786 424 1HG PRO 54 1HG PRO 54 -12.627 -9.574 6.223 425 2HG PRO 54 2HG PRO 54 -10.919 -9.184 5.943 426 1HD PRO 54 1HD PRO 54 -13.081 -7.491 7.129 427 2HD PRO 54 2HD PRO 54 -11.372 -7.627 7.594 428 H ALA 55 H ALA 55 -13.933 -5.832 5.099 429 HA ALA 55 HA ALA 55 -15.045 -5.235 2.601 430 1HB ALA 55 1HB ALA 55 -16.345 -5.292 4.668 431 2HB ALA 55 2HB ALA 55 -15.522 -3.837 5.229 432 3HB ALA 55 3HB ALA 55 -16.568 -3.766 3.813 433 H HIS 56 H HIS 56 -12.739 -3.457 4.557 434 HA HIS 56 HA HIS 56 -12.976 -1.068 2.910 435 1HB HIS 56 1HB HIS 56 -11.478 -1.776 5.400 436 2HB HIS 56 2HB HIS 56 -10.912 -0.427 4.426 437 HD1 HIS 56 HD1 HIS 56 -14.537 -0.555 4.258 438 HD2 HIS 56 HD2 HIS 56 -11.705 0.942 6.918 439 HE1 HIS 56 HE1 HIS 56 -15.755 1.117 5.684 440 HE2 HIS 56 HE2 HIS 56 -14.043 1.971 7.324 441 H MET 57 H MET 57 -11.049 -3.910 3.116 442 HA MET 57 HA MET 57 -8.839 -2.798 1.588 443 1HB MET 57 1HB MET 57 -8.496 -4.457 3.426 444 2HB MET 57 2HB MET 57 -9.336 -5.655 2.453 445 1HG MET 57 1HG MET 57 -6.969 -5.986 2.271 446 2HG MET 57 2HG MET 57 -7.600 -5.426 0.723 447 1HE MET 57 1HE MET 57 -4.492 -5.427 1.555 448 2HE MET 57 2HE MET 57 -3.993 -3.873 0.887 449 3HE MET 57 3HE MET 57 -5.090 -4.913 -0.023 450 H ASP 58 H ASP 58 -11.823 -4.223 0.994 451 HA ASP 58 HA ASP 58 -11.376 -5.850 -1.226 452 1HB ASP 58 1HB ASP 58 -13.487 -5.781 0.047 453 2HB ASP 58 2HB ASP 58 -13.817 -4.178 -0.601 454 H ALA 59 H ALA 59 -11.814 -2.366 -1.002 455 HA ALA 59 HA ALA 59 -12.161 -1.776 -3.709 456 1HB ALA 59 1HB ALA 59 -11.418 0.472 -3.157 457 2HB ALA 59 2HB ALA 59 -12.494 -0.150 -1.905 458 3HB ALA 59 3HB ALA 59 -10.753 -0.107 -1.630 459 H VAL 60 H VAL 60 -9.221 -2.288 -1.834 460 HA VAL 60 HA VAL 60 -7.405 -1.525 -3.879 461 HB VAL 60 HB VAL 60 -6.861 -3.474 -1.634 462 1HG1 VAL 60 1HG1 VAL 60 -4.562 -2.659 -1.826 463 2HG1 VAL 60 2HG1 VAL 60 -5.127 -3.364 -3.341 464 3HG1 VAL 60 3HG1 VAL 60 -5.044 -1.611 -3.159 465 1HG2 VAL 60 1HG2 VAL 60 -6.672 -0.462 -1.569 466 2HG2 VAL 60 2HG2 VAL 60 -7.879 -1.437 -0.730 467 3HG2 VAL 60 3HG2 VAL 60 -6.177 -1.562 -0.283 468 H LEU 61 H LEU 61 -8.850 -4.578 -2.872 469 HA LEU 61 HA LEU 61 -7.424 -6.217 -4.703 470 1HB LEU 61 1HB LEU 61 -10.076 -6.673 -3.335 471 2HB LEU 61 2HB LEU 61 -9.165 -7.900 -4.194 472 HG LEU 61 HG LEU 61 -8.252 -6.463 -1.698 473 1HD1 LEU 61 1HD1 LEU 61 -9.205 -9.291 -2.125 474 2HD1 LEU 61 2HD1 LEU 61 -8.540 -8.646 -0.624 475 3HD1 LEU 61 3HD1 LEU 61 -10.064 -8.020 -1.255 476 1HD2 LEU 61 1HD2 LEU 61 -6.384 -7.061 -3.155 477 2HD2 LEU 61 2HD2 LEU 61 -6.407 -8.068 -1.708 478 3HD2 LEU 61 3HD2 LEU 61 -6.977 -8.720 -3.245 479 H ALA 62 H ALA 62 -10.266 -4.239 -4.948 480 HA ALA 62 HA ALA 62 -11.247 -5.364 -7.384 481 1HB ALA 62 1HB ALA 62 -12.716 -3.434 -7.470 482 2HB ALA 62 2HB ALA 62 -12.685 -4.101 -5.838 483 3HB ALA 62 3HB ALA 62 -11.776 -2.636 -6.209 484 H LEU 63 H LEU 63 -8.939 -2.867 -6.561 485 HA LEU 63 HA LEU 63 -8.693 -1.783 -9.186 486 1HB LEU 63 1HB LEU 63 -6.740 -1.756 -6.882 487 2HB LEU 63 2HB LEU 63 -6.601 -0.785 -8.335 488 HG LEU 63 HG LEU 63 -8.820 -0.572 -6.297 489 1HD1 LEU 63 1HD1 LEU 63 -6.679 0.240 -5.449 490 2HD1 LEU 63 2HD1 LEU 63 -6.499 1.264 -6.873 491 3HD1 LEU 63 3HD1 LEU 63 -7.805 1.569 -5.727 492 1HD2 LEU 63 1HD2 LEU 63 -8.224 1.084 -8.748 493 2HD2 LEU 63 2HD2 LEU 63 -9.584 -0.019 -8.542 494 3HD2 LEU 63 3HD2 LEU 63 -9.469 1.433 -7.548 495 H ASN 64 H ASN 64 -7.175 -4.369 -7.414 496 HA ASN 64 HA ASN 64 -5.846 -6.101 -7.978 497 1HB ASN 64 1HB ASN 64 -6.757 -5.435 -10.779 498 2HB ASN 64 2HB ASN 64 -5.794 -6.850 -10.368 499 1HD2 ASN 64 2HD2 ASN 64 -8.909 -5.414 -10.343 500 2HD2 ASN 64 1HD2 ASN 64 -9.775 -6.788 -9.749 501 HA PRO 65 HA PRO 65 -2.199 -3.653 -9.180 502 1HB PRO 65 1HB PRO 65 -0.965 -3.591 -6.813 503 2HB PRO 65 2HB PRO 65 -2.283 -2.473 -7.181 504 1HG PRO 65 1HG PRO 65 -2.283 -4.909 -5.475 505 2HG PRO 65 2HG PRO 65 -3.203 -3.407 -5.291 506 1HD PRO 65 1HD PRO 65 -4.131 -5.830 -6.403 507 2HD PRO 65 2HD PRO 65 -4.948 -4.257 -6.462 508 H ALA 66 H ALA 66 0.128 -4.358 -8.988 509 HA ALA 66 HA ALA 66 0.333 -7.202 -9.347 510 1HB ALA 66 1HB ALA 66 1.660 -5.641 -10.705 511 2HB ALA 66 2HB ALA 66 2.515 -5.118 -9.253 512 3HB ALA 66 3HB ALA 66 2.681 -6.778 -9.825 513 H VAL 67 H VAL 67 1.597 -4.835 -7.039 514 HA VAL 67 HA VAL 67 1.577 -6.884 -4.965 515 HB VAL 67 HB VAL 67 3.852 -7.030 -5.856 516 1HG1 VAL 67 1HG1 VAL 67 5.397 -5.138 -5.725 517 2HG1 VAL 67 2HG1 VAL 67 4.050 -4.812 -6.815 518 3HG1 VAL 67 3HG1 VAL 67 4.072 -4.097 -5.203 519 1HG2 VAL 67 1HG2 VAL 67 3.562 -7.399 -3.477 520 2HG2 VAL 67 2HG2 VAL 67 5.108 -6.609 -3.787 521 3HG2 VAL 67 3HG2 VAL 67 3.749 -5.673 -3.165 522 H ILE 68 H ILE 68 1.385 -6.010 -2.863 523 HA ILE 68 HA ILE 68 0.701 -3.139 -2.855 524 HB ILE 68 HB ILE 68 -0.357 -5.290 -1.011 525 1HG1 ILE 68 1HG1 ILE 68 -1.748 -3.872 -3.295 526 2HG1 ILE 68 2HG1 ILE 68 -1.143 -5.525 -3.361 527 1HG2 ILE 68 1HG2 ILE 68 -1.960 -3.561 -0.315 528 2HG2 ILE 68 2HG2 ILE 68 -0.294 -3.093 0.027 529 3HG2 ILE 68 3HG2 ILE 68 -1.139 -2.395 -1.354 530 1HD1 ILE 68 1HD1 ILE 68 -3.307 -4.493 -1.542 531 2HD1 ILE 68 2HD1 ILE 68 -3.528 -5.496 -2.975 532 3HD1 ILE 68 3HD1 ILE 68 -2.690 -6.145 -1.566 533 H LEU 69 H LEU 69 2.008 -1.879 -1.729 534 HA LEU 69 HA LEU 69 3.572 -3.047 0.471 535 1HB LEU 69 1HB LEU 69 4.011 -0.555 -1.171 536 2HB LEU 69 2HB LEU 69 4.929 -0.930 0.274 537 HG LEU 69 HG LEU 69 4.872 -2.610 -2.232 538 1HD1 LEU 69 1HD1 LEU 69 7.156 -1.821 -2.553 539 2HD1 LEU 69 2HD1 LEU 69 6.016 -0.474 -2.551 540 3HD1 LEU 69 3HD1 LEU 69 7.009 -0.792 -1.128 541 1HD2 LEU 69 1HD2 LEU 69 6.697 -3.838 -1.178 542 2HD2 LEU 69 2HD2 LEU 69 6.531 -2.849 0.273 543 3HD2 LEU 69 3HD2 LEU 69 5.225 -3.931 -0.212 544 H LEU 70 H LEU 70 2.490 -2.833 2.296 545 HA LEU 70 HA LEU 70 0.794 -0.511 2.745 546 1HB LEU 70 1HB LEU 70 -0.030 -2.771 3.267 547 2HB LEU 70 2HB LEU 70 1.277 -2.980 4.414 548 HG LEU 70 HG LEU 70 0.345 -1.157 5.793 549 1HD1 LEU 70 1HD1 LEU 70 -1.903 -0.320 5.320 550 2HD1 LEU 70 2HD1 LEU 70 -0.772 0.110 4.036 551 3HD1 LEU 70 3HD1 LEU 70 -1.916 -1.211 3.798 552 1HD2 LEU 70 1HD2 LEU 70 -0.241 -3.486 6.238 553 2HD2 LEU 70 2HD2 LEU 70 -1.580 -2.403 6.619 554 3HD2 LEU 70 3HD2 LEU 70 -1.611 -3.355 5.135 555 H GLY 71 H GLY 71 1.533 1.226 3.737 556 1HA GLY 71 1HA GLY 71 3.967 1.029 5.371 557 2HA GLY 71 2HA GLY 71 3.272 2.511 4.723 558 H THR 72 H THR 72 3.905 1.137 7.513 559 HA THR 72 HA THR 72 1.317 1.493 8.802 560 HB THR 72 HB THR 72 2.575 0.660 10.826 561 HG1 THR 72 HG1 THR 72 4.679 0.363 10.681 562 1HG2 THR 72 1HG2 THR 72 2.656 -1.072 8.352 563 2HG2 THR 72 2HG2 THR 72 2.737 -1.653 10.014 564 3HG2 THR 72 3HG2 THR 72 1.274 -0.863 9.426 565 H GLY 73 H GLY 73 3.157 3.802 7.821 566 1HA GLY 73 1HA GLY 73 4.166 5.723 8.584 567 2HA GLY 73 2HA GLY 73 3.065 5.592 9.952 568 H GLU 74 H GLU 74 3.733 4.496 11.815 569 HA GLU 74 HA GLU 74 6.613 3.932 12.010 570 1HB GLU 74 1HB GLU 74 4.840 5.235 14.090 571 2HB GLU 74 2HB GLU 74 6.494 4.713 14.373 572 1HG GLU 74 1HG GLU 74 7.256 6.301 12.649 573 2HG GLU 74 2HG GLU 74 5.593 6.855 12.460 574 H ARG 75 H ARG 75 7.056 2.465 13.927 575 HA ARG 75 HA ARG 75 6.831 0.483 14.968 576 1HB ARG 75 1HB ARG 75 3.852 0.923 14.814 577 2HB ARG 75 2HB ARG 75 4.721 -0.128 15.914 578 1HG ARG 75 1HG ARG 75 5.772 1.859 16.936 579 2HG ARG 75 2HG ARG 75 4.781 2.876 15.885 580 1HD ARG 75 1HD ARG 75 3.741 2.683 18.064 581 2HD ARG 75 2HD ARG 75 2.757 1.859 16.853 582 HE ARG 75 HE ARG 75 4.592 0.440 18.686 583 1HH1 ARG 75 1HH1 ARG 75 1.497 0.713 17.047 584 2HH1 ARG 75 2HH1 ARG 75 0.917 -0.816 17.629 585 1HH2 ARG 75 1HH2 ARG 75 3.841 -1.547 19.437 586 2HH2 ARG 75 2HH2 ARG 75 2.264 -2.118 18.977 587 H GLN 76 H GLN 76 5.873 -1.772 14.725 588 HA GLN 76 HA GLN 76 5.277 -2.255 11.886 589 1HB GLN 76 1HB GLN 76 6.591 -4.023 13.937 590 2HB GLN 76 2HB GLN 76 5.978 -4.641 12.407 591 1HG GLN 76 1HG GLN 76 7.430 -2.829 11.329 592 2HG GLN 76 2HG GLN 76 8.231 -2.737 12.897 593 1HE2 GLN 76 2HE2 GLN 76 9.378 -4.555 13.654 594 2HE2 GLN 76 1HE2 GLN 76 9.927 -5.780 12.562 595 H GLN 77 H GLN 77 3.264 -2.568 11.493 596 HA GLN 77 HA GLN 77 1.675 -4.228 13.318 597 1HB GLN 77 1HB GLN 77 0.730 -1.692 11.956 598 2HB GLN 77 2HB GLN 77 -0.296 -2.793 12.866 599 1HG GLN 77 1HG GLN 77 1.037 -2.334 14.882 600 2HG GLN 77 2HG GLN 77 2.004 -1.186 13.959 601 1HE2 GLN 77 2HE2 GLN 77 -1.441 -1.567 13.515 602 2HE2 GLN 77 1HE2 GLN 77 -1.888 -0.043 14.188 603 H PHE 78 H PHE 78 -0.158 -5.276 12.233 604 HA PHE 78 HA PHE 78 0.172 -5.494 9.336 605 1HB PHE 78 1HB PHE 78 0.061 -7.973 9.495 606 2HB PHE 78 2HB PHE 78 1.515 -7.308 10.228 607 HD1 PHE 78 HD1 PHE 78 1.778 -7.301 12.671 608 HD2 PHE 78 HD2 PHE 78 -1.580 -9.126 10.796 609 HE1 PHE 78 HE1 PHE 78 1.277 -8.514 14.752 610 HE2 PHE 78 HE2 PHE 78 -2.086 -10.337 12.876 611 HZ PHE 78 HZ PHE 78 -0.658 -10.032 14.856 612 HA PRO 79 HA PRO 79 -4.274 -5.618 9.362 613 1HB PRO 79 1HB PRO 79 -4.730 -7.101 7.124 614 2HB PRO 79 2HB PRO 79 -4.241 -5.405 7.072 615 1HG PRO 79 1HG PRO 79 -2.579 -7.869 6.718 616 2HG PRO 79 2HG PRO 79 -2.534 -6.346 5.810 617 1HD PRO 79 1HD PRO 79 -0.743 -6.933 7.751 618 2HD PRO 79 2HD PRO 79 -1.283 -5.273 7.422 619 H SER 80 H SER 80 -6.030 -7.096 9.693 620 HA SER 80 HA SER 80 -5.420 -9.247 11.355 621 1HB SER 80 1HB SER 80 -7.998 -8.866 9.826 622 2HB SER 80 2HB SER 80 -7.778 -9.713 11.358 623 HG SER 80 HG SER 80 -8.608 -7.476 11.435 624 H THR 81 H THR 81 -5.738 -11.511 11.073 625 HA THR 81 HA THR 81 -4.427 -12.556 8.838 626 HB THR 81 HB THR 81 -6.279 -14.180 10.576 627 HG1 THR 81 HG1 THR 81 -5.109 -13.042 12.065 628 1HG2 THR 81 1HG2 THR 81 -3.604 -14.785 9.301 629 2HG2 THR 81 2HG2 THR 81 -4.563 -15.902 10.273 630 3HG2 THR 81 3HG2 THR 81 -5.174 -15.340 8.718 631 H ASP 82 H ASP 82 -7.856 -12.211 9.553 632 HA ASP 82 HA ASP 82 -8.762 -13.785 7.349 633 1HB ASP 82 1HB ASP 82 -10.986 -12.911 7.890 634 2HB ASP 82 2HB ASP 82 -10.156 -13.451 9.344 635 H VAL 83 H VAL 83 -7.581 -10.609 7.663 636 HA VAL 83 HA VAL 83 -8.854 -9.628 5.237 637 HB VAL 83 HB VAL 83 -6.663 -8.323 6.864 638 1HG1 VAL 83 1HG1 VAL 83 -8.621 -7.171 4.880 639 2HG1 VAL 83 2HG1 VAL 83 -7.435 -6.257 5.811 640 3HG1 VAL 83 3HG1 VAL 83 -6.897 -7.430 4.609 641 1HG2 VAL 83 1HG2 VAL 83 -9.649 -7.981 7.087 642 2HG2 VAL 83 2HG2 VAL 83 -8.591 -8.728 8.285 643 3HG2 VAL 83 3HG2 VAL 83 -8.440 -7.007 7.923 644 H LEU 84 H LEU 84 -5.621 -10.477 6.414 645 HA LEU 84 HA LEU 84 -4.208 -9.983 4.040 646 1HB LEU 84 1HB LEU 84 -3.275 -10.352 6.362 647 2HB LEU 84 2HB LEU 84 -3.546 -12.065 6.127 648 HG LEU 84 HG LEU 84 -1.813 -10.520 4.219 649 1HD1 LEU 84 1HD1 LEU 84 -0.976 -11.760 6.837 650 2HD1 LEU 84 2HD1 LEU 84 0.122 -11.179 5.584 651 3HD1 LEU 84 3HD1 LEU 84 -0.932 -10.044 6.427 652 1HD2 LEU 84 1HD2 LEU 84 -2.478 -12.778 3.569 653 2HD2 LEU 84 2HD2 LEU 84 -0.751 -12.705 3.922 654 3HD2 LEU 84 3HD2 LEU 84 -1.862 -13.406 5.098 655 H ALA 85 H ALA 85 -5.850 -12.865 5.244 656 HA ALA 85 HA ALA 85 -5.022 -14.713 3.338 657 1HB ALA 85 1HB ALA 85 -6.997 -15.994 3.931 658 2HB ALA 85 2HB ALA 85 -6.258 -15.299 5.373 659 3HB ALA 85 3HB ALA 85 -7.714 -14.573 4.691 660 H ALA 86 H ALA 86 -7.586 -12.295 3.171 661 HA ALA 86 HA ALA 86 -8.842 -13.259 0.837 662 1HB ALA 86 1HB ALA 86 -9.909 -11.664 2.355 663 2HB ALA 86 2HB ALA 86 -8.736 -10.432 1.887 664 3HB ALA 86 3HB ALA 86 -9.880 -11.056 0.700 665 H CYS 87 H CYS 87 -6.158 -11.038 1.346 666 HA CYS 87 HA CYS 87 -5.922 -10.309 -1.414 667 1HB CYS 87 1HB CYS 87 -5.134 -8.848 0.416 668 2HB CYS 87 2HB CYS 87 -3.921 -10.048 0.846 669 HG CYS 87 HG CYS 87 -2.435 -9.773 -1.474 670 H LEU 88 H LEU 88 -4.391 -12.633 0.736 671 HA LEU 88 HA LEU 88 -2.347 -13.471 -1.020 672 1HB LEU 88 1HB LEU 88 -2.517 -13.825 1.493 673 2HB LEU 88 2HB LEU 88 -3.632 -15.129 1.149 674 HG LEU 88 HG LEU 88 -0.856 -15.127 -0.011 675 1HD1 LEU 88 1HD1 LEU 88 -0.596 -14.849 2.391 676 2HD1 LEU 88 2HD1 LEU 88 -1.701 -16.193 2.679 677 3HD1 LEU 88 3HD1 LEU 88 -0.146 -16.482 1.902 678 1HD2 LEU 88 1HD2 LEU 88 -1.197 -17.552 -0.013 679 2HD2 LEU 88 2HD2 LEU 88 -2.801 -17.328 0.686 680 3HD2 LEU 88 3HD2 LEU 88 -2.453 -16.726 -0.935 681 H THR 89 H THR 89 -5.607 -14.734 -0.384 682 HA THR 89 HA THR 89 -5.359 -16.989 -2.073 683 HB THR 89 HB THR 89 -7.919 -16.951 -2.011 684 HG1 THR 89 HG1 THR 89 -7.583 -15.080 0.086 685 1HG2 THR 89 1HG2 THR 89 -7.977 -17.693 0.326 686 2HG2 THR 89 2HG2 THR 89 -6.568 -18.338 -0.515 687 3HG2 THR 89 3HG2 THR 89 -6.387 -16.978 0.593 688 H ARG 90 H ARG 90 -6.447 -13.683 -2.658 689 HA ARG 90 HA ARG 90 -7.443 -14.128 -5.270 690 1HB ARG 90 1HB ARG 90 -7.867 -12.089 -3.830 691 2HB ARG 90 2HB ARG 90 -6.238 -11.558 -4.211 692 1HG ARG 90 1HG ARG 90 -8.258 -12.121 -6.362 693 2HG ARG 90 2HG ARG 90 -8.162 -10.556 -5.555 694 1HD ARG 90 1HD ARG 90 -5.896 -10.256 -6.291 695 2HD ARG 90 2HD ARG 90 -5.845 -11.891 -6.941 696 HE ARG 90 HE ARG 90 -7.489 -9.705 -8.059 697 1HH1 ARG 90 1HH1 ARG 90 -5.671 -12.685 -8.413 698 2HH1 ARG 90 2HH1 ARG 90 -5.732 -12.657 -10.152 699 1HH2 ARG 90 1HH2 ARG 90 -7.561 -9.678 -10.350 700 2HH2 ARG 90 2HH2 ARG 90 -6.799 -10.962 -11.243 701 H GLY 91 H GLY 91 -4.237 -13.533 -3.974 702 1HA GLY 91 1HA GLY 91 -2.383 -14.560 -5.154 703 2HA GLY 91 2HA GLY 91 -3.168 -14.117 -6.662 704 H ILE 92 H ILE 92 -3.262 -11.730 -4.210 705 HA ILE 92 HA ILE 92 -1.272 -10.183 -5.712 706 HB ILE 92 HB ILE 92 -3.213 -9.170 -3.624 707 1HG1 ILE 92 1HG1 ILE 92 -4.460 -10.030 -5.528 708 2HG1 ILE 92 2HG1 ILE 92 -4.506 -8.271 -5.533 709 1HG2 ILE 92 1HG2 ILE 92 -1.247 -7.765 -3.905 710 2HG2 ILE 92 2HG2 ILE 92 -1.513 -7.716 -5.648 711 3HG2 ILE 92 3HG2 ILE 92 -2.677 -6.966 -4.556 712 1HD1 ILE 92 1HD1 ILE 92 -2.740 -9.997 -7.253 713 2HD1 ILE 92 2HD1 ILE 92 -4.199 -9.152 -7.771 714 3HD1 ILE 92 3HD1 ILE 92 -2.782 -8.234 -7.261 715 H GLY 93 H GLY 93 0.680 -9.821 -4.875 716 1HA GLY 93 1HA GLY 93 1.465 -10.920 -2.383 717 2HA GLY 93 2HA GLY 93 2.442 -9.875 -3.405 718 H LEU 94 H LEU 94 1.208 -10.123 -0.422 719 HA LEU 94 HA LEU 94 0.784 -7.227 -0.142 720 1HB LEU 94 1HB LEU 94 -1.153 -8.573 0.509 721 2HB LEU 94 2HB LEU 94 -0.160 -9.489 1.625 722 HG LEU 94 HG LEU 94 0.206 -7.441 2.959 723 1HD1 LEU 94 1HD1 LEU 94 -1.162 -5.461 2.527 724 2HD1 LEU 94 2HD1 LEU 94 -0.053 -5.786 1.194 725 3HD1 LEU 94 3HD1 LEU 94 -1.761 -6.199 1.040 726 1HD2 LEU 94 1HD2 LEU 94 -2.688 -8.123 2.459 727 2HD2 LEU 94 2HD2 LEU 94 -1.592 -8.971 3.550 728 3HD2 LEU 94 3HD2 LEU 94 -2.053 -7.303 3.886 729 H GLU 95 H GLU 95 2.321 -6.123 0.837 730 HA GLU 95 HA GLU 95 4.015 -7.490 2.817 731 1HB GLU 95 1HB GLU 95 5.265 -7.176 0.720 732 2HB GLU 95 2HB GLU 95 4.897 -5.458 0.751 733 1HG GLU 95 1HG GLU 95 7.167 -5.898 1.490 734 2HG GLU 95 2HG GLU 95 6.197 -5.195 2.782 735 H ALA 96 H ALA 96 4.624 -6.238 4.607 736 HA ALA 96 HA ALA 96 3.310 -3.611 4.833 737 1HB ALA 96 1HB ALA 96 1.892 -5.268 5.936 738 2HB ALA 96 2HB ALA 96 3.255 -5.783 6.928 739 3HB ALA 96 3HB ALA 96 2.598 -4.156 7.108 740 H MET 97 H MET 97 4.747 -2.117 5.307 741 HA MET 97 HA MET 97 6.956 -2.730 7.130 742 1HB MET 97 1HB MET 97 7.291 -1.537 4.367 743 2HB MET 97 2HB MET 97 8.537 -1.508 5.606 744 1HG MET 97 1HG MET 97 8.659 -3.918 5.595 745 2HG MET 97 2HG MET 97 7.328 -4.007 4.442 746 1HE MET 97 1HE MET 97 7.990 -1.591 2.493 747 2HE MET 97 2HE MET 97 7.494 -3.185 1.925 748 3HE MET 97 3HE MET 97 8.923 -2.410 1.241 749 H THR 98 H THR 98 8.224 -0.512 7.444 750 HA THR 98 HA THR 98 6.284 1.368 8.369 751 HB THR 98 HB THR 98 8.565 2.730 8.688 752 HG1 THR 98 HG1 THR 98 9.851 0.468 9.264 753 1HG2 THR 98 1HG2 THR 98 7.727 0.359 10.362 754 2HG2 THR 98 2HG2 THR 98 8.767 1.679 10.896 755 3HG2 THR 98 3HG2 THR 98 7.082 1.996 10.485 756 H ASN 99 H ASN 99 6.729 3.778 7.878 757 HA ASN 99 HA ASN 99 5.671 4.222 5.366 758 1HB ASN 99 1HB ASN 99 5.490 5.758 7.291 759 2HB ASN 99 2HB ASN 99 7.178 6.206 7.075 760 1HD2 ASN 99 2HD2 ASN 99 3.948 6.545 5.895 761 2HD2 ASN 99 1HD2 ASN 99 4.273 7.817 4.773 762 H ALA 100 H ALA 100 9.061 4.746 6.372 763 HA ALA 100 HA ALA 100 9.798 5.800 3.815 764 1HB ALA 100 1HB ALA 100 12.069 5.823 4.687 765 2HB ALA 100 2HB ALA 100 10.938 6.501 5.858 766 3HB ALA 100 3HB ALA 100 11.556 4.864 6.076 767 H ALA 101 H ALA 101 10.162 2.680 5.430 768 HA ALA 101 HA ALA 101 11.807 1.440 3.523 769 1HB ALA 101 1HB ALA 101 9.722 0.173 5.296 770 2HB ALA 101 2HB ALA 101 11.034 -0.672 4.474 771 3HB ALA 101 3HB ALA 101 11.397 0.501 5.740 772 H ALA 102 H ALA 102 8.301 1.759 3.719 773 HA ALA 102 HA ALA 102 7.677 0.128 1.496 774 1HB ALA 102 1HB ALA 102 6.019 0.776 3.180 775 2HB ALA 102 2HB ALA 102 6.121 2.450 2.635 776 3HB ALA 102 3HB ALA 102 5.492 1.208 1.554 777 H ALA 103 H ALA 103 8.182 3.628 1.821 778 HA ALA 103 HA ALA 103 7.709 4.296 -0.873 779 1HB ALA 103 1HB ALA 103 9.480 5.719 1.112 780 2HB ALA 103 2HB ALA 103 8.809 6.401 -0.369 781 3HB ALA 103 3HB ALA 103 7.737 5.939 0.954 782 H ARG 104 H ARG 104 10.639 3.341 0.842 783 HA ARG 104 HA ARG 104 12.509 3.776 -1.190 784 1HB ARG 104 1HB ARG 104 13.062 3.199 1.161 785 2HB ARG 104 2HB ARG 104 12.499 1.560 0.869 786 1HG ARG 104 1HG ARG 104 14.248 1.401 -0.935 787 2HG ARG 104 2HG ARG 104 14.888 2.931 -0.330 788 1HD ARG 104 1HD ARG 104 16.142 1.195 0.697 789 2HD ARG 104 2HD ARG 104 15.065 1.855 1.926 790 HE ARG 104 HE ARG 104 14.363 -0.606 0.455 791 1HH1 ARG 104 1HH1 ARG 104 14.860 1.127 3.466 792 2HH1 ARG 104 2HH1 ARG 104 14.462 -0.243 4.463 793 1HH2 ARG 104 1HH2 ARG 104 13.793 -2.381 1.761 794 2HH2 ARG 104 2HH2 ARG 104 13.817 -2.229 3.496 795 H THR 105 H THR 105 10.580 0.904 -0.427 796 HA THR 105 HA THR 105 11.641 -0.716 -2.484 797 HB THR 105 HB THR 105 8.927 -0.996 -1.180 798 HG1 THR 105 HG1 THR 105 10.578 -0.875 0.411 799 1HG2 THR 105 1HG2 THR 105 9.268 -2.437 -3.127 800 2HG2 THR 105 2HG2 THR 105 10.779 -3.027 -2.434 801 3HG2 THR 105 3HG2 THR 105 9.246 -3.385 -1.639 802 H TYR 106 H TYR 106 8.959 1.545 -2.336 803 HA TYR 106 HA TYR 106 7.602 0.913 -4.676 804 1HB TYR 106 1HB TYR 106 6.672 2.524 -3.159 805 2HB TYR 106 2HB TYR 106 8.067 3.581 -3.331 806 HD1 TYR 106 HD1 TYR 106 5.043 2.309 -5.036 807 HD2 TYR 106 HD2 TYR 106 8.223 5.135 -5.137 808 HE1 TYR 106 HE1 TYR 106 3.901 3.523 -6.846 809 HE2 TYR 106 HE2 TYR 106 7.090 6.356 -6.945 810 HH TYR 106 HH TYR 106 5.427 5.881 -8.722 811 H ASN 107 H ASN 107 10.387 3.077 -4.230 812 HA ASN 107 HA ASN 107 10.566 3.943 -6.896 813 1HB ASN 107 1HB ASN 107 11.718 5.076 -5.046 814 2HB ASN 107 2HB ASN 107 12.770 3.681 -4.836 815 1HD2 ASN 107 2HD2 ASN 107 14.474 3.375 -6.227 816 2HD2 ASN 107 1HD2 ASN 107 14.954 4.546 -7.401 817 H VAL 108 H VAL 108 11.971 1.161 -5.249 818 HA VAL 108 HA VAL 108 13.664 0.328 -7.358 819 HB VAL 108 HB VAL 108 12.408 -1.403 -5.218 820 1HG1 VAL 108 1HG1 VAL 108 14.916 -1.782 -6.850 821 2HG1 VAL 108 2HG1 VAL 108 14.357 -2.840 -5.554 822 3HG1 VAL 108 3HG1 VAL 108 13.410 -2.682 -7.032 823 1HG2 VAL 108 1HG2 VAL 108 14.438 -0.992 -3.919 824 2HG2 VAL 108 2HG2 VAL 108 15.005 0.131 -5.156 825 3HG2 VAL 108 3HG2 VAL 108 13.556 0.505 -4.223 826 H LEU 109 H LEU 109 10.323 -0.434 -6.504 827 HA LEU 109 HA LEU 109 9.999 -2.401 -8.558 828 1HB LEU 109 1HB LEU 109 7.965 -0.899 -6.909 829 2HB LEU 109 2HB LEU 109 7.588 -2.238 -7.978 830 HG LEU 109 HG LEU 109 9.416 -2.434 -5.584 831 1HD1 LEU 109 1HD1 LEU 109 6.546 -3.297 -5.903 832 2HD1 LEU 109 2HD1 LEU 109 7.578 -3.633 -4.513 833 3HD1 LEU 109 3HD1 LEU 109 7.125 -1.972 -4.893 834 1HD2 LEU 109 1HD2 LEU 109 9.197 -4.840 -5.927 835 2HD2 LEU 109 2HD2 LEU 109 8.207 -4.551 -7.358 836 3HD2 LEU 109 3HD2 LEU 109 9.899 -4.057 -7.343 837 H ALA 110 H ALA 110 9.404 1.043 -8.273 838 HA ALA 110 HA ALA 110 7.814 1.406 -10.558 839 1HB ALA 110 1HB ALA 110 8.095 3.111 -8.819 840 2HB ALA 110 2HB ALA 110 9.768 3.346 -9.328 841 3HB ALA 110 3HB ALA 110 8.447 3.750 -10.425 842 H SER 111 H SER 111 11.289 1.147 -10.155 843 HA SER 111 HA SER 111 12.097 2.040 -12.687 844 1HB SER 111 1HB SER 111 13.645 1.650 -10.794 845 2HB SER 111 2HB SER 111 13.385 -0.086 -10.950 846 HG SER 111 HG SER 111 14.405 -0.069 -12.917 847 H GLU 112 H GLU 112 10.943 -1.087 -11.573 848 HA GLU 112 HA GLU 112 11.478 -2.412 -14.064 849 1HB GLU 112 1HB GLU 112 10.133 -3.173 -11.492 850 2HB GLU 112 2HB GLU 112 10.059 -4.218 -12.898 851 1HG GLU 112 1HG GLU 112 12.631 -3.234 -11.710 852 2HG GLU 112 2HG GLU 112 11.860 -4.752 -11.251 853 H GLY 113 H GLY 113 8.904 -0.578 -12.714 854 1HA GLY 113 1HA GLY 113 7.033 0.205 -13.890 855 2HA GLY 113 2HA GLY 113 7.318 -1.024 -15.116 856 H ARG 114 H ARG 114 7.461 -2.216 -11.955 857 HA ARG 114 HA ARG 114 5.087 -3.779 -12.320 858 1HB ARG 114 1HB ARG 114 7.120 -3.538 -10.119 859 2HB ARG 114 2HB ARG 114 5.632 -4.437 -9.864 860 1HG ARG 114 1HG ARG 114 6.182 -5.937 -11.678 861 2HG ARG 114 2HG ARG 114 7.630 -4.998 -12.047 862 1HD ARG 114 1HD ARG 114 8.645 -5.602 -9.980 863 2HD ARG 114 2HD ARG 114 7.144 -6.303 -9.379 864 HE ARG 114 HE ARG 114 7.489 -8.184 -10.732 865 1HH1 ARG 114 1HH1 ARG 114 10.065 -5.839 -11.132 866 2HH1 ARG 114 2HH1 ARG 114 11.153 -6.968 -11.872 867 1HH2 ARG 114 1HH2 ARG 114 8.930 -9.670 -11.682 868 2HH2 ARG 114 2HH2 ARG 114 10.512 -9.144 -12.175 869 H ARG 115 H ARG 115 3.088 -3.356 -11.651 870 HA ARG 115 HA ARG 115 2.514 -0.788 -10.539 871 1HB ARG 115 1HB ARG 115 0.900 -3.086 -11.511 872 2HB ARG 115 2HB ARG 115 0.124 -1.963 -10.401 873 1HG ARG 115 1HG ARG 115 -0.345 -1.322 -12.673 874 2HG ARG 115 2HG ARG 115 0.682 -0.108 -11.913 875 1HD ARG 115 1HD ARG 115 1.511 -0.473 -14.112 876 2HD ARG 115 2HD ARG 115 2.647 -1.218 -12.989 877 HE ARG 115 HE ARG 115 1.622 -3.375 -13.577 878 1HH1 ARG 115 1HH1 ARG 115 1.219 -0.643 -15.725 879 2HH1 ARG 115 2HH1 ARG 115 0.892 -1.624 -17.127 880 1HH2 ARG 115 1HH2 ARG 115 1.199 -4.681 -15.413 881 2HH2 ARG 115 2HH2 ARG 115 0.868 -3.923 -16.948 882 H VAL 116 H VAL 116 3.449 -0.698 -8.546 883 HA VAL 116 HA VAL 116 2.475 -2.521 -6.499 884 HB VAL 116 HB VAL 116 4.827 -2.121 -6.373 885 1HG1 VAL 116 1HG1 VAL 116 4.194 0.824 -6.293 886 2HG1 VAL 116 2HG1 VAL 116 5.792 0.113 -6.067 887 3HG1 VAL 116 3HG1 VAL 116 4.967 -0.047 -7.617 888 1HG2 VAL 116 1HG2 VAL 116 5.066 -1.180 -4.123 889 2HG2 VAL 116 2HG2 VAL 116 3.428 -0.533 -4.225 890 3HG2 VAL 116 3HG2 VAL 116 3.690 -2.278 -4.231 891 H ALA 117 H ALA 117 0.862 -2.039 -5.200 892 HA ALA 117 HA ALA 117 -0.280 0.636 -5.222 893 1HB ALA 117 1HB ALA 117 -1.792 -1.283 -5.357 894 2HB ALA 117 2HB ALA 117 -1.194 -1.871 -3.805 895 3HB ALA 117 3HB ALA 117 -2.084 -0.350 -3.890 896 H LEU 118 H LEU 118 0.962 1.987 -4.057 897 HA LEU 118 HA LEU 118 2.144 1.088 -1.567 898 1HB LEU 118 1HB LEU 118 3.430 2.452 -3.177 899 2HB LEU 118 2HB LEU 118 2.294 3.767 -2.954 900 HG LEU 118 HG LEU 118 2.975 3.961 -0.602 901 1HD1 LEU 118 1HD1 LEU 118 3.594 1.648 -0.189 902 2HD1 LEU 118 2HD1 LEU 118 4.956 1.798 -1.299 903 3HD1 LEU 118 3HD1 LEU 118 4.933 2.727 0.200 904 1HD2 LEU 118 1HD2 LEU 118 5.269 4.007 -2.557 905 2HD2 LEU 118 2HD2 LEU 118 4.102 5.303 -2.292 906 3HD2 LEU 118 3HD2 LEU 118 5.219 4.846 -1.006 907 H ALA 119 H ALA 119 0.448 0.825 -0.181 908 HA ALA 119 HA ALA 119 -1.397 3.020 0.282 909 1HB ALA 119 1HB ALA 119 -1.183 0.333 1.644 910 2HB ALA 119 2HB ALA 119 -2.475 1.511 1.878 911 3HB ALA 119 3HB ALA 119 -2.264 0.734 0.308 912 H MET 120 H MET 120 -0.169 4.643 1.138 913 HA MET 120 HA MET 120 1.602 4.063 3.368 914 1HB MET 120 1HB MET 120 1.065 6.629 1.866 915 2HB MET 120 2HB MET 120 2.221 6.470 3.183 916 1HG MET 120 1HG MET 120 3.501 4.875 1.902 917 2HG MET 120 2HG MET 120 2.322 4.943 0.595 918 1HE MET 120 1HE MET 120 4.019 7.729 2.845 919 2HE MET 120 2HE MET 120 5.273 8.294 1.741 920 3HE MET 120 3HE MET 120 5.327 6.646 2.368 921 H ILE 121 H ILE 121 0.399 3.656 5.120 922 HA ILE 121 HA ILE 121 -1.553 5.638 5.997 923 HB ILE 121 HB ILE 121 -0.679 3.039 7.284 924 1HG1 ILE 121 1HG1 ILE 121 -3.211 3.733 5.775 925 2HG1 ILE 121 2HG1 ILE 121 -1.904 2.721 5.170 926 1HG2 ILE 121 1HG2 ILE 121 -1.450 4.643 8.945 927 2HG2 ILE 121 2HG2 ILE 121 -2.933 4.900 8.026 928 3HG2 ILE 121 3HG2 ILE 121 -2.612 3.329 8.759 929 1HD1 ILE 121 1HD1 ILE 121 -3.661 2.109 7.536 930 2HD1 ILE 121 2HD1 ILE 121 -3.776 1.383 5.932 931 3HD1 ILE 121 3HD1 ILE 121 -2.352 1.093 6.932 932 H VAL 122 H VAL 122 -1.115 7.102 7.560 933 HA VAL 122 HA VAL 122 1.543 6.966 8.820 934 HB VAL 122 HB VAL 122 -0.131 9.404 8.189 935 1HG1 VAL 122 1HG1 VAL 122 2.602 9.208 9.447 936 2HG1 VAL 122 2HG1 VAL 122 1.788 10.700 8.974 937 3HG1 VAL 122 3HG1 VAL 122 1.117 9.699 10.261 938 1HG2 VAL 122 1HG2 VAL 122 1.680 9.952 6.620 939 2HG2 VAL 122 2HG2 VAL 122 2.471 8.424 7.006 940 3HG2 VAL 122 3HG2 VAL 122 0.899 8.424 6.206 941 H GLY 123 H GLY 123 1.710 7.213 11.032 942 1HA GLY 123 1HA GLY 123 -0.833 6.749 12.436 943 2HA GLY 123 2HA GLY 123 0.754 6.271 13.002 944 H GLY 124 H GLY 124 -0.258 9.412 11.802 945 1HA GLY 124 1HA GLY 124 0.983 10.745 14.011 946 2HA GLY 124 2HA GLY 124 0.051 11.505 12.730 947 H LEU 125 H LEU 125 -2.150 9.474 13.494 948 HA LEU 125 HA LEU 125 -3.511 11.349 15.212 949 1HB LEU 125 1HB LEU 125 -4.411 8.792 13.891 950 2HB LEU 125 2HB LEU 125 -5.447 9.758 14.920 951 HG LEU 125 HG LEU 125 -5.023 11.680 13.289 952 1HD1 LEU 125 1HD1 LEU 125 -4.418 11.040 11.009 953 2HD1 LEU 125 2HD1 LEU 125 -3.094 10.745 12.137 954 3HD1 LEU 125 3HD1 LEU 125 -4.077 9.399 11.560 955 1HD2 LEU 125 1HD2 LEU 125 -7.138 10.497 13.426 956 2HD2 LEU 125 2HD2 LEU 125 -6.749 10.867 11.746 957 3HD2 LEU 125 3HD2 LEU 125 -6.520 9.232 12.365 958 H GLU 126 H GLU 126 -1.460 8.858 15.856 959 HA GLU 126 HA GLU 126 -2.942 7.482 17.879 960 1HB GLU 126 1HB GLU 126 -1.064 6.474 16.553 961 2HB GLU 126 2HB GLU 126 0.051 7.472 17.475 962 1HG GLU 126 1HG GLU 126 -0.019 5.236 18.381 963 2HG GLU 126 2HG GLU 126 -0.685 6.384 19.540 964 H HIS 127 H HIS 127 -1.362 10.477 17.829 965 HA HIS 127 HA HIS 127 -0.669 10.557 20.614 966 1HB HIS 127 1HB HIS 127 0.394 12.081 18.984 967 2HB HIS 127 2HB HIS 127 -1.162 12.852 18.696 968 HD1 HIS 127 HD1 HIS 127 1.173 12.226 21.644 969 HD2 HIS 127 HD2 HIS 127 -1.577 15.026 20.259 970 HE1 HIS 127 HE1 HIS 127 1.213 14.105 23.318 971 HE2 HIS 127 HE2 HIS 127 -0.608 15.683 22.566 972 H HIS 128 H HIS 128 -3.526 10.704 18.837 973 HA HIS 128 HA HIS 128 -5.700 10.804 19.417 974 1HB HIS 128 1HB HIS 128 -4.792 11.071 22.290 975 2HB HIS 128 2HB HIS 128 -6.397 10.613 21.731 976 HD1 HIS 128 HD1 HIS 128 -4.296 8.914 23.538 977 HD2 HIS 128 HD2 HIS 128 -5.295 8.314 19.547 978 HE1 HIS 128 HE1 HIS 128 -3.686 6.523 23.036 979 HE2 HIS 128 HE2 HIS 128 -4.062 6.275 20.552 980 H HIS 129 H HIS 129 -4.658 12.875 22.091 981 HA HIS 129 HA HIS 129 -5.096 15.033 22.613 982 1HB HIS 129 1HB HIS 129 -3.731 15.759 20.829 983 2HB HIS 129 2HB HIS 129 -4.899 15.260 19.614 984 HD1 HIS 129 HD1 HIS 129 -4.611 17.903 22.366 985 HD2 HIS 129 HD2 HIS 129 -6.402 17.298 18.657 986 HE1 HIS 129 HE1 HIS 129 -5.720 20.081 21.778 987 HE2 HIS 129 HE2 HIS 129 -6.693 19.735 19.480 988 H HIS 130 H HIS 130 -7.034 14.795 19.656 989 HA HIS 130 HA HIS 130 -9.587 14.595 20.679 990 1HB HIS 130 1HB HIS 130 -8.571 16.906 21.694 991 2HB HIS 130 2HB HIS 130 -9.207 17.504 20.168 992 HD1 HIS 130 HD1 HIS 130 -10.713 18.859 22.031 993 HD2 HIS 130 HD2 HIS 130 -11.534 14.824 21.456 994 HE1 HIS 130 HE1 HIS 130 -13.010 18.491 22.992 995 HE2 HIS 130 HE2 HIS 130 -13.405 16.007 22.801 996 H HIS 131 H HIS 131 -10.382 13.837 18.777 997 HA HIS 131 HA HIS 131 -9.018 14.492 16.361 998 1HB HIS 131 1HB HIS 131 -10.740 12.938 15.294 999 2HB HIS 131 2HB HIS 131 -9.628 12.251 16.466 1000 HD1 HIS 131 HD1 HIS 131 -10.622 11.077 18.447 1001 HD2 HIS 131 HD2 HIS 131 -13.442 13.246 16.285 1002 HE1 HIS 131 HE1 HIS 131 -12.862 10.417 19.390 1003 HE2 HIS 131 HE2 HIS 131 -14.531 11.885 18.198 1004 H HIS 132 H HIS 132 -9.444 16.751 16.316 1005 HA HIS 132 HA HIS 132 -11.169 17.295 14.175 1006 1HB HIS 132 1HB HIS 132 -12.685 18.941 15.171 1007 2HB HIS 132 2HB HIS 132 -12.946 17.357 15.878 1008 HD1 HIS 132 HD1 HIS 132 -10.955 20.485 16.758 1009 HD2 HIS 132 HD2 HIS 132 -13.205 17.495 18.556 1010 HE1 HIS 132 HE1 HIS 132 -11.095 21.116 19.186 1011 HE2 HIS 132 HE2 HIS 132 -12.719 19.462 20.167 Start of MODEL 3 1 1H MET 1 1HT MET 1 10.347 17.640 -22.560 2 2H MET 1 2HT MET 1 10.402 18.018 -24.215 3 3H MET 1 3HT MET 1 11.816 17.552 -23.404 4 HA MET 1 HA MET 1 9.448 15.824 -23.805 5 1HB MET 1 1HB MET 1 10.647 16.352 -25.912 6 2HB MET 1 2HB MET 1 12.142 15.777 -25.187 7 1HG MET 1 1HG MET 1 11.189 13.542 -24.981 8 2HG MET 1 2HG MET 1 9.683 14.117 -25.696 9 1HE MET 1 1HE MET 1 10.920 15.141 -29.295 10 2HE MET 1 2HE MET 1 10.946 16.174 -27.864 11 3HE MET 1 3HE MET 1 9.557 15.131 -28.176 12 HA PRO 2 HA PRO 2 11.115 13.421 -20.430 13 1HB PRO 2 1HB PRO 2 10.077 11.158 -22.070 14 2HB PRO 2 2HB PRO 2 9.797 11.535 -20.365 15 1HG PRO 2 1HG PRO 2 7.905 11.995 -22.176 16 2HG PRO 2 2HG PRO 2 8.187 13.136 -20.847 17 1HD PRO 2 1HD PRO 2 8.968 13.341 -23.724 18 2HD PRO 2 2HD PRO 2 8.417 14.609 -22.610 19 H LEU 3 H LEU 3 13.097 12.613 -20.114 20 HA LEU 3 HA LEU 3 14.859 12.460 -22.364 21 1HB LEU 3 1HB LEU 3 15.446 13.422 -20.137 22 2HB LEU 3 2HB LEU 3 15.428 11.799 -19.476 23 HG LEU 3 HG LEU 3 17.280 11.179 -20.997 24 1HD1 LEU 3 1HD1 LEU 3 17.254 14.107 -21.714 25 2HD1 LEU 3 2HD1 LEU 3 18.492 12.942 -22.184 26 3HD1 LEU 3 3HD1 LEU 3 16.844 12.769 -22.786 27 1HD2 LEU 3 1HD2 LEU 3 17.739 11.927 -18.717 28 2HD2 LEU 3 2HD2 LEU 3 19.018 12.427 -19.825 29 3HD2 LEU 3 3HD2 LEU 3 17.818 13.597 -19.279 30 H ASN 4 H ASN 4 12.954 10.165 -20.765 31 HA ASN 4 HA ASN 4 14.442 8.004 -22.107 32 1HB ASN 4 1HB ASN 4 14.566 8.056 -19.523 33 2HB ASN 4 2HB ASN 4 12.870 7.584 -19.564 34 1HD2 ASN 4 2HD2 ASN 4 12.335 5.499 -20.067 35 2HD2 ASN 4 1HD2 ASN 4 13.500 4.246 -20.304 36 H GLN 5 H GLN 5 12.218 9.749 -22.902 37 HA GLN 5 HA GLN 5 10.150 9.733 -23.828 38 1HB GLN 5 1HB GLN 5 10.673 6.762 -24.087 39 2HB GLN 5 2HB GLN 5 9.425 7.659 -24.943 40 1HG GLN 5 1HG GLN 5 11.217 9.021 -25.997 41 2HG GLN 5 2HG GLN 5 12.404 7.960 -25.239 42 1HE2 GLN 5 2HE2 GLN 5 11.938 8.443 -28.050 43 2HE2 GLN 5 1HE2 GLN 5 11.568 6.902 -28.754 44 H GLU 6 H GLU 6 8.135 7.693 -23.726 45 HA GLU 6 HA GLU 6 6.475 6.855 -22.436 46 1HB GLU 6 1HB GLU 6 8.330 5.747 -21.183 47 2HB GLU 6 2HB GLU 6 8.397 7.136 -20.111 48 1HG GLU 6 1HG GLU 6 7.180 5.187 -19.188 49 2HG GLU 6 2HG GLU 6 6.225 6.668 -19.249 50 H HIS 7 H HIS 7 5.004 7.501 -20.568 51 HA HIS 7 HA HIS 7 4.438 10.284 -20.802 52 1HB HIS 7 1HB HIS 7 3.213 7.964 -19.394 53 2HB HIS 7 2HB HIS 7 2.785 9.578 -18.839 54 HD1 HIS 7 HD1 HIS 7 0.794 10.490 -19.914 55 HD2 HIS 7 HD2 HIS 7 2.785 7.800 -22.391 56 HE1 HIS 7 HE1 HIS 7 -0.611 10.317 -22.004 57 HE2 HIS 7 HE2 HIS 7 0.565 8.609 -23.447 58 HA PRO 8 HA PRO 8 6.630 11.728 -17.184 59 1HB PRO 8 1HB PRO 8 5.087 14.169 -17.303 60 2HB PRO 8 2HB PRO 8 6.772 13.913 -17.760 61 1HG PRO 8 1HG PRO 8 4.776 14.484 -19.546 62 2HG PRO 8 2HG PRO 8 6.257 13.604 -19.964 63 1HD PRO 8 1HD PRO 8 3.516 12.541 -19.388 64 2HD PRO 8 2HD PRO 8 4.691 12.026 -20.618 65 H ASP 9 H ASP 9 3.625 10.631 -17.313 66 HA ASP 9 HA ASP 9 2.365 11.820 -15.037 67 1HB ASP 9 1HB ASP 9 1.777 9.256 -16.534 68 2HB ASP 9 2HB ASP 9 0.748 9.936 -15.281 69 H TYR 10 H TYR 10 4.723 9.399 -15.473 70 HA TYR 10 HA TYR 10 4.021 7.830 -13.155 71 1HB TYR 10 1HB TYR 10 6.465 7.725 -14.936 72 2HB TYR 10 2HB TYR 10 6.070 6.551 -13.688 73 HD1 TYR 10 HD1 TYR 10 4.583 4.757 -14.135 74 HD2 TYR 10 HD2 TYR 10 4.953 7.939 -16.931 75 HE1 TYR 10 HE1 TYR 10 3.303 3.455 -15.784 76 HE2 TYR 10 HE2 TYR 10 3.675 6.649 -18.581 77 HH TYR 10 HH TYR 10 3.146 4.316 -19.069 78 H THR 11 H THR 11 6.049 10.538 -13.844 79 HA THR 11 HA THR 11 7.737 10.110 -11.531 80 HB THR 11 HB THR 11 8.624 12.435 -12.261 81 HG1 THR 11 HG1 THR 11 7.217 13.180 -13.725 82 1HG2 THR 11 1HG2 THR 11 9.852 10.348 -12.593 83 2HG2 THR 11 2HG2 THR 11 8.924 10.021 -14.057 84 3HG2 THR 11 3HG2 THR 11 10.023 11.400 -13.999 85 H TYR 12 H TYR 12 7.245 10.770 -9.580 86 HA TYR 12 HA TYR 12 5.651 13.202 -9.217 87 1HB TYR 12 1HB TYR 12 4.410 10.856 -8.973 88 2HB TYR 12 2HB TYR 12 5.161 10.892 -7.383 89 HD1 TYR 12 HD1 TYR 12 2.817 12.652 -9.625 90 HD2 TYR 12 HD2 TYR 12 4.308 12.308 -5.655 91 HE1 TYR 12 HE1 TYR 12 0.982 14.073 -8.819 92 HE2 TYR 12 HE2 TYR 12 2.476 13.731 -4.841 93 HH TYR 12 HH TYR 12 -0.232 14.511 -6.754 94 H ALA 13 H ALA 13 5.804 13.918 -6.834 95 HA ALA 13 HA ALA 13 8.572 14.104 -6.208 96 1HB ALA 13 1HB ALA 13 6.216 15.026 -4.573 97 2HB ALA 13 2HB ALA 13 7.894 15.526 -4.365 98 3HB ALA 13 3HB ALA 13 7.020 15.959 -5.835 99 H LEU 14 H LEU 14 6.439 13.633 -3.497 100 HA LEU 14 HA LEU 14 6.505 12.251 -1.696 101 1HB LEU 14 1HB LEU 14 5.763 10.644 -3.478 102 2HB LEU 14 2HB LEU 14 7.436 10.156 -3.665 103 HG LEU 14 HG LEU 14 7.414 9.466 -1.245 104 1HD1 LEU 14 1HD1 LEU 14 4.448 9.892 -1.551 105 2HD1 LEU 14 2HD1 LEU 14 5.240 9.092 -0.194 106 3HD1 LEU 14 3HD1 LEU 14 5.531 10.804 -0.500 107 1HD2 LEU 14 1HD2 LEU 14 5.470 8.094 -3.096 108 2HD2 LEU 14 2HD2 LEU 14 7.213 7.839 -3.039 109 3HD2 LEU 14 3HD2 LEU 14 6.210 7.376 -1.664 110 H ARG 15 H ARG 15 8.913 13.755 -2.436 111 HA ARG 15 HA ARG 15 11.162 12.024 -1.976 112 1HB ARG 15 1HB ARG 15 12.483 14.141 -2.099 113 2HB ARG 15 2HB ARG 15 11.500 13.803 -3.514 114 1HG ARG 15 1HG ARG 15 9.862 15.431 -2.819 115 2HG ARG 15 2HG ARG 15 10.736 15.707 -1.310 116 1HD ARG 15 1HD ARG 15 11.795 16.243 -4.085 117 2HD ARG 15 2HD ARG 15 11.196 17.462 -2.960 118 HE ARG 15 HE ARG 15 13.054 16.761 -1.460 119 1HH1 ARG 15 1HH1 ARG 15 13.280 16.209 -4.923 120 2HH1 ARG 15 2HH1 ARG 15 15.025 16.185 -4.926 121 1HH2 ARG 15 1HH2 ARG 15 15.326 16.713 -1.467 122 2HH2 ARG 15 2HH2 ARG 15 16.187 16.481 -2.956 123 H ALA 16 H ALA 16 8.976 13.147 0.128 124 HA ALA 16 HA ALA 16 10.919 13.052 2.308 125 1HB ALA 16 1HB ALA 16 8.801 15.188 2.086 126 2HB ALA 16 2HB ALA 16 9.880 14.937 3.459 127 3HB ALA 16 3HB ALA 16 10.538 15.427 1.899 128 H ALA 17 H ALA 17 10.308 11.208 3.214 129 HA ALA 17 HA ALA 17 7.573 11.064 4.267 130 1HB ALA 17 1HB ALA 17 7.633 9.633 2.278 131 2HB ALA 17 2HB ALA 17 9.016 8.764 2.943 132 3HB ALA 17 3HB ALA 17 7.449 8.674 3.747 133 H ASP 18 H ASP 18 7.787 11.040 6.424 134 HA ASP 18 HA ASP 18 9.956 9.475 7.601 135 1HB ASP 18 1HB ASP 18 10.870 11.730 7.334 136 2HB ASP 18 2HB ASP 18 9.501 12.403 8.210 137 H GLY 19 H GLY 19 7.781 8.320 7.871 138 1HA GLY 19 1HA GLY 19 6.658 7.245 9.563 139 2HA GLY 19 2HA GLY 19 7.403 8.351 10.702 140 H ARG 20 H ARG 20 6.448 10.589 10.723 141 HA ARG 20 HA ARG 20 3.562 10.185 10.985 142 1HB ARG 20 1HB ARG 20 5.304 12.343 12.182 143 2HB ARG 20 2HB ARG 20 3.619 12.023 12.573 144 1HG ARG 20 1HG ARG 20 4.249 9.811 13.426 145 2HG ARG 20 2HG ARG 20 5.940 10.175 13.078 146 1HD ARG 20 1HD ARG 20 5.816 12.091 14.623 147 2HD ARG 20 2HD ARG 20 4.147 11.657 14.997 148 HE ARG 20 HE ARG 20 6.563 10.217 15.815 149 1HH1 ARG 20 1HH1 ARG 20 3.072 10.423 15.758 150 2HH1 ARG 20 2HH1 ARG 20 2.855 9.287 17.048 151 1HH2 ARG 20 1HH2 ARG 20 6.284 8.719 17.513 152 2HH2 ARG 20 2HH2 ARG 20 4.680 8.314 18.061 153 H HIS 21 H HIS 21 5.688 11.631 8.873 154 HA HIS 21 HA HIS 21 3.510 13.269 7.790 155 1HB HIS 21 1HB HIS 21 6.228 14.191 8.514 156 2HB HIS 21 2HB HIS 21 5.580 14.776 6.997 157 HD1 HIS 21 HD1 HIS 21 3.319 14.307 9.978 158 HD2 HIS 21 HD2 HIS 21 5.279 17.363 7.939 159 HE1 HIS 21 HE1 HIS 21 2.337 16.452 10.853 160 HE2 HIS 21 HE2 HIS 21 3.447 18.280 9.516 161 H ALA 22 H ALA 22 3.548 13.557 5.587 162 HA ALA 22 HA ALA 22 5.495 12.095 3.990 163 1HB ALA 22 1HB ALA 22 2.529 11.542 3.820 164 2HB ALA 22 2HB ALA 22 3.771 10.873 2.760 165 3HB ALA 22 3HB ALA 22 3.746 10.441 4.470 166 H LYS 23 H LYS 23 6.099 13.430 2.420 167 HA LYS 23 HA LYS 23 4.422 15.740 1.820 168 1HB LYS 23 1HB LYS 23 6.849 15.994 2.366 169 2HB LYS 23 2HB LYS 23 7.228 15.123 0.888 170 1HG LYS 23 1HG LYS 23 5.947 16.932 -0.343 171 2HG LYS 23 2HG LYS 23 5.970 17.836 1.174 172 1HD LYS 23 1HD LYS 23 8.455 17.612 1.185 173 2HD LYS 23 2HD LYS 23 8.350 16.882 -0.417 174 1HE LYS 23 1HE LYS 23 8.851 19.146 -0.801 175 2HE LYS 23 2HE LYS 23 7.125 18.995 -1.130 176 1HZ LYS 23 1HZ LYS 23 6.644 19.918 1.035 177 2HZ LYS 23 2HZ LYS 23 8.293 19.978 1.422 178 3HZ LYS 23 3HZ LYS 23 7.676 20.966 0.195 179 H VAL 24 H VAL 24 2.830 14.906 0.504 180 HA VAL 24 HA VAL 24 3.589 13.628 -2.001 181 HB VAL 24 HB VAL 24 0.864 14.424 -0.939 182 1HG1 VAL 24 1HG1 VAL 24 -0.044 13.060 -2.762 183 2HG1 VAL 24 2HG1 VAL 24 0.893 14.422 -3.377 184 3HG1 VAL 24 3HG1 VAL 24 1.588 12.802 -3.378 185 1HG2 VAL 24 1HG2 VAL 24 2.178 11.717 -1.157 186 2HG2 VAL 24 2HG2 VAL 24 1.922 12.622 0.334 187 3HG2 VAL 24 3HG2 VAL 24 0.539 12.028 -0.586 188 H ASN 25 H ASN 25 4.438 14.951 -3.434 189 HA ASN 25 HA ASN 25 4.880 16.734 -4.753 190 1HB ASN 25 1HB ASN 25 2.508 16.551 -5.434 191 2HB ASN 25 2HB ASN 25 2.052 17.601 -4.098 192 1HD2 ASN 25 2HD2 ASN 25 3.634 17.419 -7.195 193 2HD2 ASN 25 1HD2 ASN 25 3.616 19.122 -7.522 194 H GLU 26 H GLU 26 2.699 18.545 -2.650 195 HA GLU 26 HA GLU 26 4.963 19.497 -1.066 196 1HB GLU 26 1HB GLU 26 4.591 21.081 -2.985 197 2HB GLU 26 2HB GLU 26 2.986 21.397 -2.341 198 1HG GLU 26 1HG GLU 26 4.020 22.202 -0.252 199 2HG GLU 26 2HG GLU 26 5.608 21.963 -0.979 200 H GLN 27 H GLN 27 2.167 18.000 -1.025 201 HA GLN 27 HA GLN 27 1.027 19.494 1.239 202 1HB GLN 27 1HB GLN 27 -0.302 17.616 -0.724 203 2HB GLN 27 2HB GLN 27 -1.103 18.330 0.670 204 1HG GLN 27 1HG GLN 27 -0.856 20.529 -0.223 205 2HG GLN 27 2HG GLN 27 0.169 19.940 -1.528 206 1HE2 GLN 27 2HE2 GLN 27 -1.193 20.824 -3.079 207 2HE2 GLN 27 1HE2 GLN 27 -2.724 20.105 -3.469 208 H ILE 28 H ILE 28 0.781 18.499 3.159 209 HA ILE 28 HA ILE 28 2.131 15.946 3.456 210 HB ILE 28 HB ILE 28 1.025 17.819 5.553 211 1HG1 ILE 28 1HG1 ILE 28 2.895 18.794 4.297 212 2HG1 ILE 28 2HG1 ILE 28 3.374 18.422 5.950 213 1HG2 ILE 28 1HG2 ILE 28 2.369 16.499 7.139 214 2HG2 ILE 28 2HG2 ILE 28 1.095 15.545 6.379 215 3HG2 ILE 28 3HG2 ILE 28 2.766 15.374 5.839 216 1HD1 ILE 28 1HD1 ILE 28 4.505 16.410 5.176 217 2HD1 ILE 28 2HD1 ILE 28 4.006 16.760 3.521 218 3HD1 ILE 28 3HD1 ILE 28 5.117 17.846 4.354 219 H LEU 29 H LEU 29 1.019 14.149 3.262 220 HA LEU 29 HA LEU 29 -1.797 14.035 4.010 221 1HB LEU 29 1HB LEU 29 0.087 12.185 2.587 222 2HB LEU 29 2HB LEU 29 -1.389 11.549 3.284 223 HG LEU 29 HG LEU 29 -1.596 12.030 0.872 224 1HD1 LEU 29 1HD1 LEU 29 -3.569 12.071 2.298 225 2HD1 LEU 29 2HD1 LEU 29 -3.312 13.788 2.615 226 3HD1 LEU 29 3HD1 LEU 29 -3.700 13.240 0.982 227 1HD2 LEU 29 1HD2 LEU 29 -1.708 14.349 0.094 228 2HD2 LEU 29 2HD2 LEU 29 -1.206 14.906 1.691 229 3HD2 LEU 29 3HD2 LEU 29 -0.104 13.943 0.706 230 H GLN 30 H GLN 30 -2.357 13.557 6.034 231 HA GLN 30 HA GLN 30 -0.338 12.281 7.746 232 1HB GLN 30 1HB GLN 30 -2.717 13.999 8.446 233 2HB GLN 30 2HB GLN 30 -1.675 13.224 9.631 234 1HG GLN 30 1HG GLN 30 0.233 14.498 8.775 235 2HG GLN 30 2HG GLN 30 -0.832 15.291 7.614 236 1HE2 GLN 30 2HE2 GLN 30 -2.323 16.799 8.337 237 2HE2 GLN 30 1HE2 GLN 30 -2.245 17.504 9.916 238 H GLN 31 H GLN 31 -2.979 11.293 6.050 239 HA GLN 31 HA GLN 31 -3.649 9.345 8.146 240 1HB GLN 31 1HB GLN 31 -5.526 10.471 6.069 241 2HB GLN 31 2HB GLN 31 -5.916 9.143 7.153 242 1HG GLN 31 1HG GLN 31 -5.244 10.856 9.009 243 2HG GLN 31 2HG GLN 31 -5.576 12.040 7.746 244 1HE2 GLN 31 2HE2 GLN 31 -6.961 11.579 10.249 245 2HE2 GLN 31 1HE2 GLN 31 -8.612 11.221 9.838 246 H SER 32 H SER 32 -4.677 9.317 4.750 247 HA SER 32 HA SER 32 -2.969 7.015 4.245 248 1HB SER 32 1HB SER 32 -5.965 6.756 3.949 249 2HB SER 32 2HB SER 32 -4.752 5.485 3.811 250 HG SER 32 HG SER 32 -4.289 6.155 6.132 251 H PHE 33 H PHE 33 -2.706 6.534 2.071 252 HA PHE 33 HA PHE 33 -4.465 7.564 0.068 253 1HB PHE 33 1HB PHE 33 -2.858 8.957 -1.140 254 2HB PHE 33 2HB PHE 33 -3.141 9.602 0.469 255 HD1 PHE 33 HD1 PHE 33 -1.395 9.413 2.201 256 HD2 PHE 33 HD2 PHE 33 -0.709 8.189 -1.817 257 HE1 PHE 33 HE1 PHE 33 1.031 9.464 2.604 258 HE2 PHE 33 HE2 PHE 33 1.719 8.233 -1.419 259 HZ PHE 33 HZ PHE 33 2.591 8.872 0.793 260 H ILE 34 H ILE 34 -4.201 6.523 -1.900 261 HA ILE 34 HA ILE 34 -2.289 4.287 -1.852 262 HB ILE 34 HB ILE 34 -4.657 4.659 -3.694 263 1HG1 ILE 34 1HG1 ILE 34 -4.418 2.904 -1.239 264 2HG1 ILE 34 2HG1 ILE 34 -5.343 4.400 -1.324 265 1HG2 ILE 34 1HG2 ILE 34 -4.324 2.274 -4.188 266 2HG2 ILE 34 2HG2 ILE 34 -2.919 3.244 -4.627 267 3HG2 ILE 34 3HG2 ILE 34 -2.895 2.271 -3.156 268 1HD1 ILE 34 1HD1 ILE 34 -6.783 2.462 -1.538 269 2HD1 ILE 34 2HD1 ILE 34 -6.785 3.412 -3.024 270 3HD1 ILE 34 3HD1 ILE 34 -5.859 1.913 -2.937 271 H LEU 35 H LEU 35 -0.455 4.685 -2.881 272 HA LEU 35 HA LEU 35 -0.520 6.415 -5.258 273 1HB LEU 35 1HB LEU 35 0.971 7.143 -3.450 274 2HB LEU 35 2HB LEU 35 1.806 5.602 -3.511 275 HG LEU 35 HG LEU 35 2.594 6.109 -5.782 276 1HD1 LEU 35 1HD1 LEU 35 1.238 8.771 -5.367 277 2HD1 LEU 35 2HD1 LEU 35 2.297 8.349 -6.714 278 3HD1 LEU 35 3HD1 LEU 35 0.750 7.525 -6.516 279 1HD2 LEU 35 1HD2 LEU 35 3.971 6.712 -3.865 280 2HD2 LEU 35 2HD2 LEU 35 4.166 7.879 -5.174 281 3HD2 LEU 35 3HD2 LEU 35 3.173 8.282 -3.773 282 H MET 36 H MET 36 -0.351 5.498 -7.165 283 HA MET 36 HA MET 36 1.200 3.020 -7.450 284 1HB MET 36 1HB MET 36 -1.541 3.549 -8.627 285 2HB MET 36 2HB MET 36 -0.506 2.206 -9.089 286 1HG MET 36 1HG MET 36 -0.596 1.371 -6.780 287 2HG MET 36 2HG MET 36 -1.683 2.693 -6.362 288 1HE MET 36 1HE MET 36 -2.744 -0.679 -9.331 289 2HE MET 36 2HE MET 36 -1.217 -0.591 -8.452 290 3HE MET 36 3HE MET 36 -1.586 0.599 -9.699 291 HA PRO 37 HA PRO 37 2.932 5.073 -10.994 292 1HB PRO 37 1HB PRO 37 3.256 3.060 -12.783 293 2HB PRO 37 2HB PRO 37 4.258 3.231 -11.337 294 1HG PRO 37 1HG PRO 37 1.890 1.456 -11.803 295 2HG PRO 37 2HG PRO 37 3.435 1.076 -11.019 296 1HD PRO 37 1HD PRO 37 1.188 1.624 -9.616 297 2HD PRO 37 2HD PRO 37 2.807 2.052 -9.027 298 H ASP 38 H ASP 38 -0.053 4.894 -10.828 299 HA ASP 38 HA ASP 38 -0.620 5.738 -13.540 300 1HB ASP 38 1HB ASP 38 -1.933 3.335 -12.292 301 2HB ASP 38 2HB ASP 38 -2.811 4.331 -13.444 302 H GLU 39 H GLU 39 -2.162 4.910 -10.438 303 HA GLU 39 HA GLU 39 -3.680 7.427 -10.621 304 1HB GLU 39 1HB GLU 39 -4.501 4.802 -9.368 305 2HB GLU 39 2HB GLU 39 -5.432 6.290 -9.275 306 1HG GLU 39 1HG GLU 39 -4.754 4.805 -11.803 307 2HG GLU 39 2HG GLU 39 -6.301 4.753 -10.960 308 H LEU 40 H LEU 40 -4.103 8.556 -8.715 309 HA LEU 40 HA LEU 40 -2.695 7.648 -6.291 310 1HB LEU 40 1HB LEU 40 -1.521 9.594 -7.145 311 2HB LEU 40 2HB LEU 40 -3.027 10.479 -7.302 312 HG LEU 40 HG LEU 40 -3.286 10.395 -4.826 313 1HD1 LEU 40 1HD1 LEU 40 -1.361 9.799 -3.452 314 2HD1 LEU 40 2HD1 LEU 40 -1.942 8.417 -4.381 315 3HD1 LEU 40 3HD1 LEU 40 -0.490 9.276 -4.893 316 1HD2 LEU 40 1HD2 LEU 40 -0.737 11.657 -5.825 317 2HD2 LEU 40 2HD2 LEU 40 -2.350 12.366 -5.903 318 3HD2 LEU 40 3HD2 LEU 40 -1.588 12.083 -4.338 319 H VAL 41 H VAL 41 -4.287 6.892 -5.039 320 HA VAL 41 HA VAL 41 -6.934 8.092 -5.207 321 HB VAL 41 HB VAL 41 -6.084 5.737 -3.518 322 1HG1 VAL 41 1HG1 VAL 41 -8.803 6.654 -4.448 323 2HG1 VAL 41 2HG1 VAL 41 -8.471 5.200 -3.507 324 3HG1 VAL 41 3HG1 VAL 41 -8.166 6.792 -2.810 325 1HG2 VAL 41 1HG2 VAL 41 -7.012 4.327 -5.304 326 2HG2 VAL 41 2HG2 VAL 41 -7.263 5.763 -6.297 327 3HG2 VAL 41 3HG2 VAL 41 -5.627 5.265 -5.863 328 H GLU 42 H GLU 42 -6.939 9.978 -4.160 329 HA GLU 42 HA GLU 42 -5.799 10.285 -1.511 330 1HB GLU 42 1HB GLU 42 -7.597 12.196 -3.017 331 2HB GLU 42 2HB GLU 42 -6.534 12.577 -1.671 332 1HG GLU 42 1HG GLU 42 -4.603 12.354 -3.001 333 2HG GLU 42 2HG GLU 42 -5.500 11.571 -4.304 334 H HIS 43 H HIS 43 -8.773 9.458 -2.995 335 HA HIS 43 HA HIS 43 -10.424 10.185 -0.720 336 1HB HIS 43 1HB HIS 43 -11.103 10.411 -3.177 337 2HB HIS 43 2HB HIS 43 -11.264 8.660 -3.192 338 HD1 HIS 43 HD1 HIS 43 -13.432 7.702 -2.329 339 HD2 HIS 43 HD2 HIS 43 -12.989 11.741 -1.452 340 HE1 HIS 43 HE1 HIS 43 -15.657 8.449 -1.435 341 HE2 HIS 43 HE2 HIS 43 -15.296 10.838 -0.718 342 H TRP 44 H TRP 44 -8.561 8.415 0.123 343 HA TRP 44 HA TRP 44 -10.202 6.091 0.782 344 1HB TRP 44 1HB TRP 44 -8.686 5.539 -1.190 345 2HB TRP 44 2HB TRP 44 -7.331 5.738 -0.085 346 HD1 TRP 44 HD1 TRP 44 -10.536 3.571 -0.366 347 HE1 TRP 44 HE1 TRP 44 -10.016 1.247 0.617 348 HE3 TRP 44 HE3 TRP 44 -5.761 4.429 1.257 349 HZ2 TRP 44 HZ2 TRP 44 -7.865 -0.044 1.908 350 HZ3 TRP 44 HZ3 TRP 44 -4.542 2.595 2.352 351 HH2 TRP 44 HH2 TRP 44 -5.575 0.406 2.673 352 HA PRO 45 HA PRO 45 -7.952 7.553 4.466 353 1HB PRO 45 1HB PRO 45 -10.093 8.059 6.011 354 2HB PRO 45 2HB PRO 45 -9.532 9.201 4.786 355 1HG PRO 45 1HG PRO 45 -11.905 7.444 4.775 356 2HG PRO 45 2HG PRO 45 -11.627 8.967 3.917 357 1HD PRO 45 1HD PRO 45 -11.403 6.306 2.890 358 2HD PRO 45 2HD PRO 45 -11.062 7.829 2.048 359 H VAL 46 H VAL 46 -7.164 6.122 5.884 360 HA VAL 46 HA VAL 46 -8.974 4.092 7.001 361 HB VAL 46 HB VAL 46 -6.118 3.536 6.165 362 1HG1 VAL 46 1HG1 VAL 46 -8.256 1.719 7.272 363 2HG1 VAL 46 2HG1 VAL 46 -6.667 1.206 6.706 364 3HG1 VAL 46 3HG1 VAL 46 -6.804 2.257 8.116 365 1HG2 VAL 46 1HG2 VAL 46 -7.080 2.069 4.458 366 2HG2 VAL 46 2HG2 VAL 46 -8.697 2.608 4.912 367 3HG2 VAL 46 3HG2 VAL 46 -7.552 3.751 4.213 368 HA PRO 47 HA PRO 47 -7.076 6.187 10.555 369 1HB PRO 47 1HB PRO 47 -8.969 5.378 12.332 370 2HB PRO 47 2HB PRO 47 -9.183 6.770 11.263 371 1HG PRO 47 1HG PRO 47 -10.222 3.981 10.972 372 2HG PRO 47 2HG PRO 47 -11.037 5.522 10.648 373 1HD PRO 47 1HD PRO 47 -9.972 3.975 8.687 374 2HD PRO 47 2HD PRO 47 -10.066 5.744 8.575 375 H SER 48 H SER 48 -5.271 4.845 10.632 376 HA SER 48 HA SER 48 -3.877 3.247 11.452 377 1HB SER 48 1HB SER 48 -6.103 2.676 13.431 378 2HB SER 48 2HB SER 48 -4.399 2.259 13.614 379 HG SER 48 HG SER 48 -4.355 4.798 13.185 380 H LEU 49 H LEU 49 -4.357 0.645 12.429 381 HA LEU 49 HA LEU 49 -5.470 -0.595 10.037 382 1HB LEU 49 1HB LEU 49 -3.925 -1.669 12.383 383 2HB LEU 49 2HB LEU 49 -4.715 -2.739 11.241 384 HG LEU 49 HG LEU 49 -3.368 -1.483 9.436 385 1HD1 LEU 49 1HD1 LEU 49 -2.626 0.370 10.829 386 2HD1 LEU 49 2HD1 LEU 49 -1.753 -0.752 11.873 387 3HD1 LEU 49 3HD1 LEU 49 -1.253 -0.538 10.194 388 1HD2 LEU 49 1HD2 LEU 49 -2.977 -3.795 10.060 389 2HD2 LEU 49 2HD2 LEU 49 -1.451 -2.959 9.771 390 3HD2 LEU 49 3HD2 LEU 49 -1.985 -3.275 11.423 391 H GLY 50 H GLY 50 -7.200 0.794 11.889 392 1HA GLY 50 1HA GLY 50 -8.697 -1.212 13.325 393 2HA GLY 50 2HA GLY 50 -9.126 0.483 13.141 394 H GLN 51 H GLN 51 -9.423 0.921 10.566 395 HA GLN 51 HA GLN 51 -11.570 -0.913 9.801 396 1HB GLN 51 1HB GLN 51 -10.940 1.924 9.043 397 2HB GLN 51 2HB GLN 51 -12.038 0.950 8.075 398 1HG GLN 51 1HG GLN 51 -13.330 0.543 10.219 399 2HG GLN 51 2HG GLN 51 -12.352 1.832 10.924 400 1HE2 GLN 51 2HE2 GLN 51 -12.678 3.945 10.263 401 2HE2 GLN 51 1HE2 GLN 51 -14.044 4.425 9.314 402 H LEU 52 H LEU 52 -8.571 -1.260 9.408 403 HA LEU 52 HA LEU 52 -8.349 -1.353 6.528 404 1HB LEU 52 1HB LEU 52 -6.383 -0.913 8.011 405 2HB LEU 52 2HB LEU 52 -6.509 -2.563 8.594 406 HG LEU 52 HG LEU 52 -6.074 -3.403 6.325 407 1HD1 LEU 52 1HD1 LEU 52 -5.716 -0.495 5.617 408 2HD1 LEU 52 2HD1 LEU 52 -5.359 -1.865 4.567 409 3HD1 LEU 52 3HD1 LEU 52 -7.021 -1.545 5.064 410 1HD2 LEU 52 1HD2 LEU 52 -4.207 -3.072 7.863 411 2HD2 LEU 52 2HD2 LEU 52 -3.722 -2.760 6.196 412 3HD2 LEU 52 3HD2 LEU 52 -4.025 -1.413 7.294 413 H GLN 53 H GLN 53 -10.173 -2.620 6.120 414 HA GLN 53 HA GLN 53 -9.890 -5.472 6.779 415 1HB GLN 53 1HB GLN 53 -12.350 -5.581 6.914 416 2HB GLN 53 2HB GLN 53 -11.686 -4.465 8.101 417 1HG GLN 53 1HG GLN 53 -12.196 -2.614 6.469 418 2HG GLN 53 2HG GLN 53 -13.096 -3.806 5.532 419 1HE2 GLN 53 2HE2 GLN 53 -14.992 -4.685 6.402 420 2HE2 GLN 53 1HE2 GLN 53 -15.836 -3.912 7.701 421 HA PRO 54 HA PRO 54 -10.227 -6.607 2.519 422 1HB PRO 54 1HB PRO 54 -12.728 -8.084 3.210 423 2HB PRO 54 2HB PRO 54 -11.295 -8.642 2.338 424 1HG PRO 54 1HG PRO 54 -11.687 -9.359 4.863 425 2HG PRO 54 2HG PRO 54 -10.064 -8.938 4.285 426 1HD PRO 54 1HD PRO 54 -11.947 -7.353 5.972 427 2HD PRO 54 2HD PRO 54 -10.175 -7.447 6.039 428 H ALA 55 H ALA 55 -13.271 -5.608 4.045 429 HA ALA 55 HA ALA 55 -14.558 -4.958 1.575 430 1HB ALA 55 1HB ALA 55 -15.293 -4.098 4.368 431 2HB ALA 55 2HB ALA 55 -16.329 -4.033 2.941 432 3HB ALA 55 3HB ALA 55 -15.813 -5.591 3.587 433 H HIS 56 H HIS 56 -12.287 -3.319 3.530 434 HA HIS 56 HA HIS 56 -13.052 -0.696 2.462 435 1HB HIS 56 1HB HIS 56 -12.330 -1.200 4.941 436 2HB HIS 56 2HB HIS 56 -10.704 -1.133 4.278 437 HD1 HIS 56 HD1 HIS 56 -13.521 0.981 5.360 438 HD2 HIS 56 HD2 HIS 56 -9.951 1.456 3.269 439 HE1 HIS 56 HE1 HIS 56 -13.088 3.459 5.302 440 HE2 HIS 56 HE2 HIS 56 -10.816 3.694 4.245 441 H MET 57 H MET 57 -10.717 -3.223 2.175 442 HA MET 57 HA MET 57 -9.019 -1.640 0.392 443 1HB MET 57 1HB MET 57 -8.009 -3.102 2.153 444 2HB MET 57 2HB MET 57 -8.697 -4.498 1.339 445 1HG MET 57 1HG MET 57 -7.363 -3.944 -0.663 446 2HG MET 57 2HG MET 57 -6.629 -2.613 0.229 447 1HE MET 57 1HE MET 57 -5.056 -2.946 2.353 448 2HE MET 57 2HE MET 57 -4.689 -4.523 3.053 449 3HE MET 57 3HE MET 57 -6.329 -3.881 3.136 450 H ASP 58 H ASP 58 -11.832 -3.055 0.078 451 HA ASP 58 HA ASP 58 -11.653 -5.089 -1.804 452 1HB ASP 58 1HB ASP 58 -13.700 -4.608 -0.575 453 2HB ASP 58 2HB ASP 58 -13.861 -3.062 -1.401 454 H ALA 59 H ALA 59 -11.906 -1.589 -2.294 455 HA ALA 59 HA ALA 59 -12.129 -1.565 -5.076 456 1HB ALA 59 1HB ALA 59 -12.430 0.422 -3.673 457 2HB ALA 59 2HB ALA 59 -10.700 0.437 -3.329 458 3HB ALA 59 3HB ALA 59 -11.274 0.714 -4.973 459 H VAL 60 H VAL 60 -9.294 -1.809 -3.009 460 HA VAL 60 HA VAL 60 -7.370 -1.611 -5.100 461 HB VAL 60 HB VAL 60 -7.027 -2.914 -2.391 462 1HG1 VAL 60 1HG1 VAL 60 -5.013 -1.705 -4.282 463 2HG1 VAL 60 2HG1 VAL 60 -4.663 -2.354 -2.680 464 3HG1 VAL 60 3HG1 VAL 60 -5.237 -3.424 -3.959 465 1HG2 VAL 60 1HG2 VAL 60 -6.192 -0.737 -1.626 466 2HG2 VAL 60 2HG2 VAL 60 -6.628 -0.030 -3.182 467 3HG2 VAL 60 3HG2 VAL 60 -7.885 -0.657 -2.115 468 H LEU 61 H LEU 61 -9.026 -4.258 -3.474 469 HA LEU 61 HA LEU 61 -7.594 -6.369 -4.708 470 1HB LEU 61 1HB LEU 61 -10.395 -6.352 -3.578 471 2HB LEU 61 2HB LEU 61 -9.468 -7.787 -3.971 472 HG LEU 61 HG LEU 61 -8.729 -5.766 -1.851 473 1HD1 LEU 61 1HD1 LEU 61 -10.706 -7.054 -1.243 474 2HD1 LEU 61 2HD1 LEU 61 -9.849 -8.554 -1.597 475 3HD1 LEU 61 3HD1 LEU 61 -9.316 -7.527 -0.265 476 1HD2 LEU 61 1HD2 LEU 61 -7.040 -7.416 -1.198 477 2HD2 LEU 61 2HD2 LEU 61 -7.488 -8.418 -2.579 478 3HD2 LEU 61 3HD2 LEU 61 -6.773 -6.827 -2.838 479 H ALA 62 H ALA 62 -10.347 -4.444 -5.645 480 HA ALA 62 HA ALA 62 -11.185 -6.035 -7.844 481 1HB ALA 62 1HB ALA 62 -12.444 -4.062 -8.538 482 2HB ALA 62 2HB ALA 62 -12.635 -4.358 -6.810 483 3HB ALA 62 3HB ALA 62 -11.559 -3.079 -7.371 484 H LEU 63 H LEU 63 -8.870 -3.410 -7.466 485 HA LEU 63 HA LEU 63 -8.272 -3.234 -10.272 486 1HB LEU 63 1HB LEU 63 -6.776 -2.188 -7.865 487 2HB LEU 63 2HB LEU 63 -6.394 -1.797 -9.531 488 HG LEU 63 HG LEU 63 -8.964 -1.091 -8.111 489 1HD1 LEU 63 1HD1 LEU 63 -8.143 1.210 -8.247 490 2HD1 LEU 63 2HD1 LEU 63 -7.071 0.193 -7.284 491 3HD1 LEU 63 3HD1 LEU 63 -6.627 0.627 -8.935 492 1HD2 LEU 63 1HD2 LEU 63 -9.325 -1.463 -10.484 493 2HD2 LEU 63 2HD2 LEU 63 -9.425 0.258 -10.111 494 3HD2 LEU 63 3HD2 LEU 63 -7.976 -0.397 -10.876 495 H ASN 64 H ASN 64 -7.630 -5.457 -7.962 496 HA ASN 64 HA ASN 64 -5.967 -6.948 -7.491 497 1HB ASN 64 1HB ASN 64 -5.782 -8.600 -9.408 498 2HB ASN 64 2HB ASN 64 -7.380 -8.261 -8.774 499 1HD2 ASN 64 2HD2 ASN 64 -5.457 -6.384 -11.105 500 2HD2 ASN 64 1HD2 ASN 64 -6.593 -6.539 -12.406 501 HA PRO 65 HA PRO 65 -2.086 -5.264 -9.092 502 1HB PRO 65 1HB PRO 65 -1.199 -4.895 -6.417 503 2HB PRO 65 2HB PRO 65 -1.687 -3.645 -7.561 504 1HG PRO 65 1HG PRO 65 -3.038 -4.314 -5.219 505 2HG PRO 65 2HG PRO 65 -3.713 -3.392 -6.572 506 1HD PRO 65 1HD PRO 65 -4.037 -6.280 -5.891 507 2HD PRO 65 2HD PRO 65 -5.209 -5.147 -6.600 508 H ALA 66 H ALA 66 0.190 -5.976 -8.302 509 HA ALA 66 HA ALA 66 0.110 -8.860 -7.924 510 1HB ALA 66 1HB ALA 66 1.558 -7.953 -9.670 511 2HB ALA 66 2HB ALA 66 2.440 -7.017 -8.464 512 3HB ALA 66 3HB ALA 66 2.507 -8.779 -8.433 513 H VAL 67 H VAL 67 1.351 -5.960 -6.359 514 HA VAL 67 HA VAL 67 1.460 -7.441 -3.846 515 HB VAL 67 HB VAL 67 3.758 -7.465 -4.611 516 1HG1 VAL 67 1HG1 VAL 67 3.546 -4.464 -4.824 517 2HG1 VAL 67 2HG1 VAL 67 5.022 -5.410 -5.022 518 3HG1 VAL 67 3HG1 VAL 67 3.694 -5.597 -6.167 519 1HG2 VAL 67 1HG2 VAL 67 3.395 -7.168 -2.226 520 2HG2 VAL 67 2HG2 VAL 67 4.847 -6.310 -2.744 521 3HG2 VAL 67 3HG2 VAL 67 3.358 -5.416 -2.434 522 H ILE 68 H ILE 68 0.493 -6.385 -2.262 523 HA ILE 68 HA ILE 68 -0.088 -3.524 -2.610 524 HB ILE 68 HB ILE 68 -1.304 -5.456 -0.621 525 1HG1 ILE 68 1HG1 ILE 68 -2.460 -4.421 -3.221 526 2HG1 ILE 68 2HG1 ILE 68 -1.840 -6.048 -2.973 527 1HG2 ILE 68 1HG2 ILE 68 -3.000 -3.707 -0.332 528 2HG2 ILE 68 2HG2 ILE 68 -1.388 -3.128 0.090 529 3HG2 ILE 68 3HG2 ILE 68 -2.113 -2.671 -1.452 530 1HD1 ILE 68 1HD1 ILE 68 -3.574 -6.436 -1.285 531 2HD1 ILE 68 2HD1 ILE 68 -4.204 -4.814 -1.578 532 3HD1 ILE 68 3HD1 ILE 68 -4.252 -6.025 -2.860 533 H LEU 69 H LEU 69 1.122 -2.136 -1.508 534 HA LEU 69 HA LEU 69 2.838 -3.211 0.620 535 1HB LEU 69 1HB LEU 69 3.627 -1.987 -1.610 536 2HB LEU 69 2HB LEU 69 3.335 -0.557 -0.641 537 HG LEU 69 HG LEU 69 5.229 -2.797 0.088 538 1HD1 LEU 69 1HD1 LEU 69 5.768 -0.019 -0.947 539 2HD1 LEU 69 2HD1 LEU 69 6.988 -1.165 -0.392 540 3HD1 LEU 69 3HD1 LEU 69 6.024 -1.529 -1.822 541 1HD2 LEU 69 1HD2 LEU 69 4.292 -1.687 2.054 542 2HD2 LEU 69 2HD2 LEU 69 6.001 -1.297 1.850 543 3HD2 LEU 69 3HD2 LEU 69 4.767 -0.120 1.398 544 H LEU 70 H LEU 70 2.197 -2.776 2.590 545 HA LEU 70 HA LEU 70 0.648 -0.358 3.126 546 1HB LEU 70 1HB LEU 70 0.929 -3.011 4.474 547 2HB LEU 70 2HB LEU 70 0.466 -1.622 5.423 548 HG LEU 70 HG LEU 70 -1.508 -2.844 4.791 549 1HD1 LEU 70 1HD1 LEU 70 -1.717 -0.428 4.882 550 2HD1 LEU 70 2HD1 LEU 70 -1.263 -0.311 3.181 551 3HD1 LEU 70 3HD1 LEU 70 -2.771 -1.101 3.639 552 1HD2 LEU 70 1HD2 LEU 70 -2.150 -3.161 2.456 553 2HD2 LEU 70 2HD2 LEU 70 -0.615 -2.465 1.938 554 3HD2 LEU 70 3HD2 LEU 70 -0.637 -3.988 2.828 555 H GLY 71 H GLY 71 2.034 1.276 3.498 556 1HA GLY 71 1HA GLY 71 4.318 0.873 5.274 557 2HA GLY 71 2HA GLY 71 3.903 2.366 4.433 558 H THR 72 H THR 72 3.588 0.558 7.336 559 HA THR 72 HA THR 72 1.259 2.056 8.228 560 HB THR 72 HB THR 72 1.488 0.587 10.284 561 HG1 THR 72 HG1 THR 72 3.641 -0.032 10.117 562 1HG2 THR 72 1HG2 THR 72 1.197 -0.782 7.607 563 2HG2 THR 72 2HG2 THR 72 0.593 -1.386 9.151 564 3HG2 THR 72 3HG2 THR 72 -0.077 0.092 8.458 565 H GLY 73 H GLY 73 2.939 3.959 7.986 566 1HA GLY 73 1HA GLY 73 3.899 5.720 9.092 567 2HA GLY 73 2HA GLY 73 3.249 5.028 10.568 568 H GLU 74 H GLU 74 4.702 4.610 12.051 569 HA GLU 74 HA GLU 74 7.468 4.896 11.515 570 1HB GLU 74 1HB GLU 74 6.449 5.559 13.647 571 2HB GLU 74 2HB GLU 74 6.095 3.874 14.005 572 1HG GLU 74 1HG GLU 74 8.073 4.708 15.191 573 2HG GLU 74 2HG GLU 74 8.440 3.354 14.123 574 H ARG 75 H ARG 75 5.858 2.052 12.982 575 HA ARG 75 HA ARG 75 7.890 0.387 11.639 576 1HB ARG 75 1HB ARG 75 7.002 0.474 14.386 577 2HB ARG 75 2HB ARG 75 6.718 -1.118 13.699 578 1HG ARG 75 1HG ARG 75 8.818 -1.507 14.356 579 2HG ARG 75 2HG ARG 75 9.244 -0.670 12.863 580 1HD ARG 75 1HD ARG 75 8.815 0.899 15.363 581 2HD ARG 75 2HD ARG 75 10.324 0.019 15.146 582 HE ARG 75 HE ARG 75 9.400 2.024 13.185 583 1HH1 ARG 75 1HH1 ARG 75 11.854 0.617 15.236 584 2HH1 ARG 75 2HH1 ARG 75 13.065 1.798 14.837 585 1HH2 ARG 75 1HH2 ARG 75 10.988 3.607 12.648 586 2HH2 ARG 75 2HH2 ARG 75 12.580 3.493 13.360 587 H GLN 76 H GLN 76 7.159 -1.815 11.055 588 HA GLN 76 HA GLN 76 4.671 -1.663 9.675 589 1HB GLN 76 1HB GLN 76 5.151 -3.984 8.962 590 2HB GLN 76 2HB GLN 76 6.473 -2.873 8.643 591 1HG GLN 76 1HG GLN 76 7.695 -3.721 10.541 592 2HG GLN 76 2HG GLN 76 6.341 -4.763 10.977 593 1HE2 GLN 76 2HE2 GLN 76 8.920 -4.211 8.686 594 2HE2 GLN 76 1HE2 GLN 76 8.899 -5.797 7.992 595 H GLN 77 H GLN 77 2.797 -2.709 10.013 596 HA GLN 77 HA GLN 77 2.459 -4.168 12.540 597 1HB GLN 77 1HB GLN 77 1.646 -1.886 12.861 598 2HB GLN 77 2HB GLN 77 0.653 -2.011 11.417 599 1HG GLN 77 1HG GLN 77 -0.672 -2.222 13.442 600 2HG GLN 77 2HG GLN 77 -0.725 -3.697 12.480 601 1HE2 GLN 77 2HE2 GLN 77 -1.352 -4.913 14.250 602 2HE2 GLN 77 1HE2 GLN 77 -0.246 -5.331 15.524 603 H PHE 78 H PHE 78 1.313 -6.010 12.356 604 HA PHE 78 HA PHE 78 0.672 -6.861 9.670 605 1HB PHE 78 1HB PHE 78 0.572 -8.393 12.279 606 2HB PHE 78 2HB PHE 78 0.420 -9.090 10.668 607 HD1 PHE 78 HD1 PHE 78 2.680 -7.955 13.223 608 HD2 PHE 78 HD2 PHE 78 2.374 -8.997 9.111 609 HE1 PHE 78 HE1 PHE 78 5.125 -8.206 13.110 610 HE2 PHE 78 HE2 PHE 78 4.817 -9.253 8.990 611 HZ PHE 78 HZ PHE 78 6.196 -8.857 10.990 612 HA PRO 79 HA PRO 79 -3.652 -5.920 10.127 613 1HB PRO 79 1HB PRO 79 -4.034 -7.615 7.763 614 2HB PRO 79 2HB PRO 79 -4.324 -5.885 7.959 615 1HG PRO 79 1HG PRO 79 -2.295 -6.838 6.464 616 2HG PRO 79 2HG PRO 79 -2.168 -5.323 7.378 617 1HD PRO 79 1HD PRO 79 -1.096 -8.037 8.048 618 2HD PRO 79 2HD PRO 79 -0.334 -6.444 8.240 619 H SER 80 H SER 80 -5.765 -7.197 9.922 620 HA SER 80 HA SER 80 -5.677 -9.345 11.766 621 1HB SER 80 1HB SER 80 -8.020 -8.573 10.024 622 2HB SER 80 2HB SER 80 -8.056 -9.321 11.623 623 HG SER 80 HG SER 80 -7.095 -7.358 12.422 624 H THR 81 H THR 81 -6.585 -11.489 11.407 625 HA THR 81 HA THR 81 -5.273 -12.963 9.505 626 HB THR 81 HB THR 81 -7.095 -14.694 10.049 627 HG1 THR 81 HG1 THR 81 -8.728 -14.027 11.200 628 1HG2 THR 81 1HG2 THR 81 -6.196 -15.068 12.296 629 2HG2 THR 81 2HG2 THR 81 -4.918 -14.657 11.152 630 3HG2 THR 81 3HG2 THR 81 -5.510 -13.443 12.286 631 H ASP 82 H ASP 82 -8.572 -11.679 9.382 632 HA ASP 82 HA ASP 82 -9.450 -13.012 7.093 633 1HB ASP 82 1HB ASP 82 -10.240 -10.316 8.203 634 2HB ASP 82 2HB ASP 82 -11.090 -11.119 6.885 635 H VAL 83 H VAL 83 -7.509 -10.116 7.425 636 HA VAL 83 HA VAL 83 -7.678 -9.317 4.695 637 HB VAL 83 HB VAL 83 -5.479 -8.708 6.682 638 1HG1 VAL 83 1HG1 VAL 83 -5.067 -6.741 5.279 639 2HG1 VAL 83 2HG1 VAL 83 -4.839 -8.241 4.381 640 3HG1 VAL 83 3HG1 VAL 83 -6.306 -7.291 4.150 641 1HG2 VAL 83 1HG2 VAL 83 -7.657 -8.045 7.559 642 2HG2 VAL 83 2HG2 VAL 83 -6.692 -6.632 7.135 643 3HG2 VAL 83 3HG2 VAL 83 -7.996 -7.160 6.072 644 H LEU 84 H LEU 84 -5.343 -11.193 6.585 645 HA LEU 84 HA LEU 84 -3.523 -11.725 4.513 646 1HB LEU 84 1HB LEU 84 -4.177 -13.092 7.099 647 2HB LEU 84 2HB LEU 84 -3.076 -13.851 5.969 648 HG LEU 84 HG LEU 84 -1.821 -12.676 7.659 649 1HD1 LEU 84 1HD1 LEU 84 -0.894 -12.717 5.416 650 2HD1 LEU 84 2HD1 LEU 84 -1.735 -11.217 5.027 651 3HD1 LEU 84 3HD1 LEU 84 -0.462 -11.222 6.246 652 1HD2 LEU 84 1HD2 LEU 84 -1.961 -10.254 7.937 653 2HD2 LEU 84 2HD2 LEU 84 -3.295 -10.196 6.784 654 3HD2 LEU 84 3HD2 LEU 84 -3.495 -11.034 8.322 655 H ALA 85 H ALA 85 -6.393 -13.470 5.618 656 HA ALA 85 HA ALA 85 -6.154 -15.724 3.974 657 1HB ALA 85 1HB ALA 85 -7.710 -15.564 5.867 658 2HB ALA 85 2HB ALA 85 -8.689 -14.416 4.953 659 3HB ALA 85 3HB ALA 85 -8.520 -16.078 4.388 660 H ALA 86 H ALA 86 -7.924 -12.690 3.438 661 HA ALA 86 HA ALA 86 -8.912 -13.334 0.884 662 1HB ALA 86 1HB ALA 86 -9.817 -11.510 2.244 663 2HB ALA 86 2HB ALA 86 -8.318 -10.606 2.029 664 3HB ALA 86 3HB ALA 86 -9.348 -10.949 0.639 665 H CYS 87 H CYS 87 -5.931 -11.761 1.931 666 HA CYS 87 HA CYS 87 -5.016 -11.016 -0.632 667 1HB CYS 87 1HB CYS 87 -4.170 -10.136 1.567 668 2HB CYS 87 2HB CYS 87 -3.331 -11.666 1.795 669 HG CYS 87 HG CYS 87 -1.898 -11.231 -0.731 670 H LEU 88 H LEU 88 -4.510 -13.896 1.349 671 HA LEU 88 HA LEU 88 -2.608 -15.122 -0.354 672 1HB LEU 88 1HB LEU 88 -2.984 -15.653 2.065 673 2HB LEU 88 2HB LEU 88 -4.477 -16.447 1.617 674 HG LEU 88 HG LEU 88 -1.866 -17.363 0.440 675 1HD1 LEU 88 1HD1 LEU 88 -3.035 -18.216 3.087 676 2HD1 LEU 88 2HD1 LEU 88 -1.663 -18.967 2.273 677 3HD1 LEU 88 3HD1 LEU 88 -1.539 -17.308 2.860 678 1HD2 LEU 88 1HD2 LEU 88 -3.948 -18.242 -0.514 679 2HD2 LEU 88 2HD2 LEU 88 -3.035 -19.504 0.313 680 3HD2 LEU 88 3HD2 LEU 88 -4.450 -18.789 1.086 681 H THR 89 H THR 89 -6.130 -15.503 -0.023 682 HA THR 89 HA THR 89 -6.274 -17.673 -1.845 683 HB THR 89 HB THR 89 -7.967 -17.190 -0.059 684 HG1 THR 89 HG1 THR 89 -9.695 -17.350 -2.087 685 1HG2 THR 89 1HG2 THR 89 -9.775 -15.622 -0.551 686 2HG2 THR 89 2HG2 THR 89 -8.228 -14.783 -0.443 687 3HG2 THR 89 3HG2 THR 89 -8.945 -15.112 -2.021 688 H ARG 90 H ARG 90 -6.247 -14.229 -2.279 689 HA ARG 90 HA ARG 90 -7.278 -14.427 -4.990 690 1HB ARG 90 1HB ARG 90 -6.351 -12.087 -3.331 691 2HB ARG 90 2HB ARG 90 -6.797 -11.935 -5.024 692 1HG ARG 90 1HG ARG 90 -8.656 -13.079 -2.962 693 2HG ARG 90 2HG ARG 90 -8.570 -11.355 -3.315 694 1HD ARG 90 1HD ARG 90 -10.388 -12.430 -4.548 695 2HD ARG 90 2HD ARG 90 -9.167 -11.781 -5.637 696 HE ARG 90 HE ARG 90 -8.519 -13.971 -6.194 697 1HH1 ARG 90 1HH1 ARG 90 -11.181 -13.924 -3.904 698 2HH1 ARG 90 2HH1 ARG 90 -11.609 -15.581 -4.195 699 1HH2 ARG 90 1HH2 ARG 90 -9.106 -16.125 -6.577 700 2HH2 ARG 90 2HH2 ARG 90 -10.441 -16.832 -5.709 701 H GLY 91 H GLY 91 -4.359 -14.939 -3.526 702 1HA GLY 91 1HA GLY 91 -2.286 -15.365 -4.420 703 2HA GLY 91 2HA GLY 91 -2.997 -15.144 -6.011 704 H ILE 92 H ILE 92 -2.825 -12.818 -3.359 705 HA ILE 92 HA ILE 92 -1.153 -11.102 -5.080 706 HB ILE 92 HB ILE 92 -3.181 -10.215 -3.010 707 1HG1 ILE 92 1HG1 ILE 92 -3.306 -10.085 -6.033 708 2HG1 ILE 92 2HG1 ILE 92 -4.242 -11.178 -5.020 709 1HG2 ILE 92 1HG2 ILE 92 -1.542 -8.604 -4.967 710 2HG2 ILE 92 2HG2 ILE 92 -2.785 -7.963 -3.890 711 3HG2 ILE 92 3HG2 ILE 92 -1.312 -8.665 -3.218 712 1HD1 ILE 92 1HD1 ILE 92 -4.434 -8.173 -5.026 713 2HD1 ILE 92 2HD1 ILE 92 -5.582 -9.296 -5.757 714 3HD1 ILE 92 3HD1 ILE 92 -5.373 -9.265 -4.007 715 H GLY 93 H GLY 93 0.559 -9.989 -4.091 716 1HA GLY 93 1HA GLY 93 1.507 -11.212 -1.624 717 2HA GLY 93 2HA GLY 93 2.418 -10.140 -2.679 718 H LEU 94 H LEU 94 1.511 -10.284 0.325 719 HA LEU 94 HA LEU 94 0.615 -7.489 0.515 720 1HB LEU 94 1HB LEU 94 -0.798 -9.221 1.619 721 2HB LEU 94 2HB LEU 94 0.565 -9.637 2.640 722 HG LEU 94 HG LEU 94 0.534 -7.339 3.572 723 1HD1 LEU 94 1HD1 LEU 94 -1.991 -7.064 1.946 724 2HD1 LEU 94 2HD1 LEU 94 -1.417 -5.921 3.161 725 3HD1 LEU 94 3HD1 LEU 94 -0.482 -6.186 1.689 726 1HD2 LEU 94 1HD2 LEU 94 -2.074 -8.840 3.790 727 2HD2 LEU 94 2HD2 LEU 94 -0.610 -9.166 4.719 728 3HD2 LEU 94 3HD2 LEU 94 -1.469 -7.640 4.933 729 H GLU 95 H GLU 95 2.205 -6.095 0.867 730 HA GLU 95 HA GLU 95 4.612 -7.045 2.274 731 1HB GLU 95 1HB GLU 95 4.815 -6.242 -0.121 732 2HB GLU 95 2HB GLU 95 4.389 -4.639 0.461 733 1HG GLU 95 1HG GLU 95 6.783 -4.851 0.213 734 2HG GLU 95 2HG GLU 95 6.354 -4.643 1.911 735 H ALA 96 H ALA 96 4.669 -6.420 4.331 736 HA ALA 96 HA ALA 96 3.513 -3.799 5.032 737 1HB ALA 96 1HB ALA 96 4.013 -6.189 6.806 738 2HB ALA 96 2HB ALA 96 3.306 -4.655 7.313 739 3HB ALA 96 3HB ALA 96 2.449 -5.685 6.166 740 H MET 97 H MET 97 4.937 -2.236 5.439 741 HA MET 97 HA MET 97 7.440 -2.862 6.792 742 1HB MET 97 1HB MET 97 7.307 -1.666 4.029 743 2HB MET 97 2HB MET 97 8.695 -1.434 5.081 744 1HG MET 97 1HG MET 97 8.977 -3.887 5.180 745 2HG MET 97 2HG MET 97 7.650 -4.053 4.031 746 1HE MET 97 1HE MET 97 9.115 -2.273 0.860 747 2HE MET 97 2HE MET 97 8.134 -1.550 2.135 748 3HE MET 97 3HE MET 97 7.742 -3.158 1.525 749 H THR 98 H THR 98 8.750 -0.613 6.775 750 HA THR 98 HA THR 98 7.110 1.212 8.266 751 HB THR 98 HB THR 98 9.199 2.464 8.614 752 HG1 THR 98 HG1 THR 98 11.070 0.967 7.608 753 1HG2 THR 98 1HG2 THR 98 9.586 -0.519 8.899 754 2HG2 THR 98 2HG2 THR 98 10.481 0.726 9.769 755 3HG2 THR 98 3HG2 THR 98 8.752 0.527 10.046 756 H ASN 99 H ASN 99 7.116 3.558 7.806 757 HA ASN 99 HA ASN 99 6.186 4.250 5.284 758 1HB ASN 99 1HB ASN 99 5.829 5.619 7.290 759 2HB ASN 99 2HB ASN 99 7.542 6.016 7.337 760 1HD2 ASN 99 2HD2 ASN 99 5.511 5.868 4.456 761 2HD2 ASN 99 1HD2 ASN 99 5.626 7.551 4.087 762 H ALA 100 H ALA 100 9.453 4.517 6.609 763 HA ALA 100 HA ALA 100 10.584 5.839 4.378 764 1HB ALA 100 1HB ALA 100 11.590 5.876 6.614 765 2HB ALA 100 2HB ALA 100 11.965 4.160 6.467 766 3HB ALA 100 3HB ALA 100 12.732 5.326 5.388 767 H ALA 101 H ALA 101 10.515 2.415 5.349 768 HA ALA 101 HA ALA 101 12.127 1.470 3.234 769 1HB ALA 101 1HB ALA 101 10.014 -0.027 4.779 770 2HB ALA 101 2HB ALA 101 11.312 -0.741 3.822 771 3HB ALA 101 3HB ALA 101 11.694 0.179 5.276 772 H ALA 102 H ALA 102 8.651 1.922 3.552 773 HA ALA 102 HA ALA 102 7.841 0.610 1.211 774 1HB ALA 102 1HB ALA 102 5.781 1.900 1.414 775 2HB ALA 102 2HB ALA 102 6.295 1.283 2.984 776 3HB ALA 102 3HB ALA 102 6.560 2.977 2.572 777 H ALA 103 H ALA 103 8.627 4.031 1.779 778 HA ALA 103 HA ALA 103 8.141 4.846 -0.894 779 1HB ALA 103 1HB ALA 103 9.812 6.183 1.232 780 2HB ALA 103 2HB ALA 103 9.231 6.933 -0.255 781 3HB ALA 103 3HB ALA 103 8.082 6.412 0.978 782 H ARG 104 H ARG 104 10.964 3.660 0.806 783 HA ARG 104 HA ARG 104 12.927 4.412 -1.058 784 1HB ARG 104 1HB ARG 104 13.452 3.665 1.225 785 2HB ARG 104 2HB ARG 104 12.909 2.042 0.820 786 1HG ARG 104 1HG ARG 104 14.686 1.983 -0.941 787 2HG ARG 104 2HG ARG 104 15.291 3.505 -0.286 788 1HD ARG 104 1HD ARG 104 16.559 1.683 0.644 789 2HD ARG 104 2HD ARG 104 15.567 2.404 1.909 790 HE ARG 104 HE ARG 104 13.988 0.487 1.442 791 1HH1 ARG 104 1HH1 ARG 104 17.440 0.239 0.869 792 2HH1 ARG 104 2HH1 ARG 104 17.481 -1.484 1.140 793 1HH2 ARG 104 1HH2 ARG 104 14.045 -1.773 1.786 794 2HH2 ARG 104 2HH2 ARG 104 15.566 -2.614 1.671 795 H THR 105 H THR 105 11.247 1.281 -0.647 796 HA THR 105 HA THR 105 12.566 0.175 -2.937 797 HB THR 105 HB THR 105 11.802 -1.180 -0.957 798 HG1 THR 105 HG1 THR 105 10.699 -2.785 -2.622 799 1HG2 THR 105 1HG2 THR 105 9.471 -1.968 -0.955 800 2HG2 THR 105 2HG2 THR 105 9.579 -0.232 -0.663 801 3HG2 THR 105 3HG2 THR 105 9.095 -0.831 -2.250 802 H TYR 106 H TYR 106 9.770 2.081 -2.468 803 HA TYR 106 HA TYR 106 8.183 1.258 -4.631 804 1HB TYR 106 1HB TYR 106 7.364 2.787 -2.883 805 2HB TYR 106 2HB TYR 106 8.468 4.034 -3.454 806 HD1 TYR 106 HD1 TYR 106 5.606 1.924 -4.559 807 HD2 TYR 106 HD2 TYR 106 7.773 5.546 -5.090 808 HE1 TYR 106 HE1 TYR 106 3.887 2.714 -6.130 809 HE2 TYR 106 HE2 TYR 106 6.062 6.348 -6.663 810 HH TYR 106 HH TYR 106 4.335 5.458 -8.119 811 H ASN 107 H ASN 107 10.983 3.375 -4.437 812 HA ASN 107 HA ASN 107 10.942 4.548 -6.946 813 1HB ASN 107 1HB ASN 107 13.097 3.755 -5.039 814 2HB ASN 107 2HB ASN 107 13.559 4.232 -6.663 815 1HD2 ASN 107 2HD2 ASN 107 14.625 6.046 -5.944 816 2HD2 ASN 107 1HD2 ASN 107 13.783 7.452 -5.370 817 H VAL 108 H VAL 108 12.249 1.416 -5.963 818 HA VAL 108 HA VAL 108 13.224 0.690 -8.530 819 HB VAL 108 HB VAL 108 12.452 -1.163 -6.268 820 1HG1 VAL 108 1HG1 VAL 108 12.827 -2.315 -8.371 821 2HG1 VAL 108 2HG1 VAL 108 14.380 -1.503 -8.562 822 3HG1 VAL 108 3HG1 VAL 108 14.142 -2.653 -7.246 823 1HG2 VAL 108 1HG2 VAL 108 14.800 -1.006 -5.561 824 2HG2 VAL 108 2HG2 VAL 108 15.071 0.243 -6.776 825 3HG2 VAL 108 3HG2 VAL 108 13.963 0.542 -5.437 826 H LEU 109 H LEU 109 10.311 -0.178 -6.701 827 HA LEU 109 HA LEU 109 9.266 -1.986 -8.574 828 1HB LEU 109 1HB LEU 109 7.805 -0.318 -6.527 829 2HB LEU 109 2HB LEU 109 7.140 -1.709 -7.363 830 HG LEU 109 HG LEU 109 9.486 -1.767 -5.462 831 1HD1 LEU 109 1HD1 LEU 109 7.963 -2.960 -3.970 832 2HD1 LEU 109 2HD1 LEU 109 7.382 -1.333 -4.322 833 3HD1 LEU 109 3HD1 LEU 109 6.648 -2.722 -5.121 834 1HD2 LEU 109 1HD2 LEU 109 9.281 -4.199 -5.636 835 2HD2 LEU 109 2HD2 LEU 109 8.026 -4.007 -6.860 836 3HD2 LEU 109 3HD2 LEU 109 9.674 -3.469 -7.192 837 H ALA 110 H ALA 110 8.663 1.490 -8.134 838 HA ALA 110 HA ALA 110 6.629 1.683 -10.087 839 1HB ALA 110 1HB ALA 110 6.973 4.088 -9.960 840 2HB ALA 110 2HB ALA 110 6.970 3.373 -8.348 841 3HB ALA 110 3HB ALA 110 8.494 3.838 -9.103 842 H SER 111 H SER 111 10.131 2.212 -10.249 843 HA SER 111 HA SER 111 10.178 3.058 -12.949 844 1HB SER 111 1HB SER 111 12.380 1.734 -11.344 845 2HB SER 111 2HB SER 111 12.591 2.665 -12.827 846 HG SER 111 HG SER 111 12.020 3.530 -10.229 847 H GLU 112 H GLU 112 10.470 -0.085 -11.389 848 HA GLU 112 HA GLU 112 11.125 -1.574 -13.699 849 1HB GLU 112 1HB GLU 112 11.493 -2.423 -11.442 850 2HB GLU 112 2HB GLU 112 9.764 -2.418 -11.135 851 1HG GLU 112 1HG GLU 112 9.465 -4.113 -12.882 852 2HG GLU 112 2HG GLU 112 11.210 -4.134 -13.139 853 H GLY 113 H GLY 113 8.086 -0.550 -12.287 854 1HA GLY 113 1HA GLY 113 6.086 -0.318 -13.551 855 2HA GLY 113 2HA GLY 113 6.691 -1.528 -14.677 856 H ARG 114 H ARG 114 7.044 -2.109 -11.320 857 HA ARG 114 HA ARG 114 5.558 -4.527 -11.406 858 1HB ARG 114 1HB ARG 114 7.492 -4.132 -9.901 859 2HB ARG 114 2HB ARG 114 6.546 -2.945 -9.019 860 1HG ARG 114 1HG ARG 114 6.469 -4.885 -7.718 861 2HG ARG 114 2HG ARG 114 4.908 -4.825 -8.538 862 1HD ARG 114 1HD ARG 114 5.837 -7.084 -8.564 863 2HD ARG 114 2HD ARG 114 5.705 -6.428 -10.195 864 HE ARG 114 HE ARG 114 8.173 -5.879 -9.916 865 1HH1 ARG 114 1HH1 ARG 114 6.657 -8.588 -8.277 866 2HH1 ARG 114 2HH1 ARG 114 8.120 -9.531 -8.223 867 1HH2 ARG 114 1HH2 ARG 114 10.066 -7.083 -9.843 868 2HH2 ARG 114 2HH2 ARG 114 10.071 -8.678 -9.139 869 H ARG 115 H ARG 115 3.480 -4.956 -10.781 870 HA ARG 115 HA ARG 115 1.633 -2.823 -10.406 871 1HB ARG 115 1HB ARG 115 1.395 -5.810 -10.129 872 2HB ARG 115 2HB ARG 115 0.057 -4.734 -9.761 873 1HG ARG 115 1HG ARG 115 0.050 -3.918 -12.040 874 2HG ARG 115 2HG ARG 115 1.447 -4.930 -12.421 875 1HD ARG 115 1HD ARG 115 0.202 -6.923 -12.066 876 2HD ARG 115 2HD ARG 115 -1.152 -6.028 -11.383 877 HE ARG 115 HE ARG 115 -0.975 -5.019 -13.878 878 1HH1 ARG 115 1HH1 ARG 115 -0.922 -8.310 -12.725 879 2HH1 ARG 115 2HH1 ARG 115 -1.897 -8.931 -14.023 880 1HH2 ARG 115 1HH2 ARG 115 -2.233 -5.808 -15.615 881 2HH2 ARG 115 2HH2 ARG 115 -2.612 -7.509 -15.698 882 H VAL 116 H VAL 116 2.820 -1.817 -8.613 883 HA VAL 116 HA VAL 116 2.337 -3.127 -6.037 884 HB VAL 116 HB VAL 116 4.641 -2.469 -6.329 885 1HG1 VAL 116 1HG1 VAL 116 4.375 -0.731 -8.002 886 2HG1 VAL 116 2HG1 VAL 116 3.613 0.324 -6.813 887 3HG1 VAL 116 3HG1 VAL 116 5.309 -0.128 -6.634 888 1HG2 VAL 116 1HG2 VAL 116 3.759 -2.267 -4.084 889 2HG2 VAL 116 2HG2 VAL 116 4.933 -0.985 -4.383 890 3HG2 VAL 116 3HG2 VAL 116 3.207 -0.626 -4.419 891 H ALA 117 H ALA 117 0.706 -2.497 -4.849 892 HA ALA 117 HA ALA 117 -0.489 0.138 -5.330 893 1HB ALA 117 1HB ALA 117 -2.405 -0.700 -4.044 894 2HB ALA 117 2HB ALA 117 -2.035 -1.756 -5.407 895 3HB ALA 117 3HB ALA 117 -1.557 -2.222 -3.774 896 H LEU 118 H LEU 118 0.666 1.592 -4.174 897 HA LEU 118 HA LEU 118 1.689 0.850 -1.563 898 1HB LEU 118 1HB LEU 118 3.110 2.096 -3.138 899 2HB LEU 118 2HB LEU 118 1.964 3.422 -3.118 900 HG LEU 118 HG LEU 118 2.428 3.749 -0.702 901 1HD1 LEU 118 1HD1 LEU 118 4.570 1.680 -1.162 902 2HD1 LEU 118 2HD1 LEU 118 4.365 2.652 0.296 903 3HD1 LEU 118 3HD1 LEU 118 3.130 1.479 -0.163 904 1HD2 LEU 118 1HD2 LEU 118 4.841 3.839 -2.510 905 2HD2 LEU 118 2HD2 LEU 118 3.596 5.081 -2.373 906 3HD2 LEU 118 3HD2 LEU 118 4.649 4.734 -1.002 907 H ALA 119 H ALA 119 -0.169 0.657 -0.365 908 HA ALA 119 HA ALA 119 -1.874 2.987 -0.007 909 1HB ALA 119 1HB ALA 119 -1.971 0.273 1.320 910 2HB ALA 119 2HB ALA 119 -3.181 1.547 1.479 911 3HB ALA 119 3HB ALA 119 -2.919 0.771 -0.082 912 H MET 120 H MET 120 -0.680 4.513 1.008 913 HA MET 120 HA MET 120 1.095 3.751 3.170 914 1HB MET 120 1HB MET 120 1.708 5.446 1.411 915 2HB MET 120 2HB MET 120 0.516 6.523 2.126 916 1HG MET 120 1HG MET 120 2.669 7.122 2.953 917 2HG MET 120 2HG MET 120 1.754 6.388 4.268 918 1HE MET 120 1HE MET 120 5.123 4.264 1.935 919 2HE MET 120 2HE MET 120 4.639 5.939 1.665 920 3HE MET 120 3HE MET 120 3.548 4.624 1.228 921 H ILE 121 H ILE 121 0.480 3.674 5.197 922 HA ILE 121 HA ILE 121 -1.814 5.301 6.060 923 HB ILE 121 HB ILE 121 -0.640 2.845 7.387 924 1HG1 ILE 121 1HG1 ILE 121 -3.234 3.195 5.860 925 2HG1 ILE 121 2HG1 ILE 121 -1.816 2.328 5.278 926 1HG2 ILE 121 1HG2 ILE 121 -3.092 4.471 8.062 927 2HG2 ILE 121 2HG2 ILE 121 -2.621 2.958 8.838 928 3HG2 ILE 121 3HG2 ILE 121 -1.601 4.388 9.001 929 1HD1 ILE 121 1HD1 ILE 121 -3.523 0.802 6.086 930 2HD1 ILE 121 2HD1 ILE 121 -2.067 0.706 7.079 931 3HD1 ILE 121 3HD1 ILE 121 -3.481 1.579 7.670 932 H VAL 122 H VAL 122 -1.083 7.148 6.860 933 HA VAL 122 HA VAL 122 1.529 7.281 8.130 934 HB VAL 122 HB VAL 122 -0.445 9.509 7.597 935 1HG1 VAL 122 1HG1 VAL 122 2.500 9.568 8.239 936 2HG1 VAL 122 2HG1 VAL 122 1.515 10.969 7.819 937 3HG1 VAL 122 3HG1 VAL 122 1.187 10.073 9.303 938 1HG2 VAL 122 1HG2 VAL 122 1.900 8.592 5.935 939 2HG2 VAL 122 2HG2 VAL 122 0.196 8.425 5.513 940 3HG2 VAL 122 3HG2 VAL 122 0.922 10.027 5.631 941 H GLY 123 H GLY 123 1.866 7.625 10.275 942 1HA GLY 123 1HA GLY 123 -0.152 6.910 12.103 943 2HA GLY 123 2HA GLY 123 1.404 7.597 12.528 944 H GLY 124 H GLY 124 1.256 10.034 11.327 945 1HA GLY 124 1HA GLY 124 0.408 12.163 11.556 946 2HA GLY 124 2HA GLY 124 -1.139 11.442 11.973 947 H LEU 125 H LEU 125 -1.510 10.808 14.157 948 HA LEU 125 HA LEU 125 0.275 12.085 16.114 949 1HB LEU 125 1HB LEU 125 -2.738 12.250 16.017 950 2HB LEU 125 2HB LEU 125 -1.782 12.717 17.408 951 HG LEU 125 HG LEU 125 -1.664 14.009 14.680 952 1HD1 LEU 125 1HD1 LEU 125 -3.720 14.520 15.885 953 2HD1 LEU 125 2HD1 LEU 125 -2.781 15.000 17.299 954 3HD1 LEU 125 3HD1 LEU 125 -2.664 15.931 15.806 955 1HD2 LEU 125 1HD2 LEU 125 -0.216 15.657 15.756 956 2HD2 LEU 125 2HD2 LEU 125 -0.251 14.720 17.249 957 3HD2 LEU 125 3HD2 LEU 125 0.503 14.047 15.803 958 H GLU 126 H GLU 126 -0.889 11.385 18.438 959 HA GLU 126 HA GLU 126 -1.236 8.466 18.277 960 1HB GLU 126 1HB GLU 126 0.420 9.896 20.365 961 2HB GLU 126 2HB GLU 126 0.187 8.158 20.220 962 1HG GLU 126 1HG GLU 126 1.275 8.279 17.981 963 2HG GLU 126 2HG GLU 126 1.648 9.967 18.316 964 H HIS 127 H HIS 127 -1.905 7.674 20.616 965 HA HIS 127 HA HIS 127 -4.500 8.754 20.958 966 1HB HIS 127 1HB HIS 127 -4.876 7.033 22.540 967 2HB HIS 127 2HB HIS 127 -3.798 6.343 21.335 968 HD1 HIS 127 HD1 HIS 127 -4.281 6.267 24.793 969 HD2 HIS 127 HD2 HIS 127 -0.904 6.771 22.408 970 HE1 HIS 127 HE1 HIS 127 -2.319 5.668 26.253 971 HE2 HIS 127 HE2 HIS 127 -0.291 5.922 24.777 972 H HIS 128 H HIS 128 -5.421 9.904 22.618 973 HA HIS 128 HA HIS 128 -3.830 10.627 24.929 974 1HB HIS 128 1HB HIS 128 -4.193 13.015 24.758 975 2HB HIS 128 2HB HIS 128 -3.388 12.464 23.298 976 HD1 HIS 128 HD1 HIS 128 -6.263 14.375 24.456 977 HD2 HIS 128 HD2 HIS 128 -5.228 12.286 21.012 978 HE1 HIS 128 HE1 HIS 128 -7.837 15.187 22.673 979 HE2 HIS 128 HE2 HIS 128 -7.248 13.855 20.613 980 H HIS 129 H HIS 129 -5.063 10.165 26.614 981 HA HIS 129 HA HIS 129 -7.892 9.780 26.231 982 1HB HIS 129 1HB HIS 129 -6.477 8.251 27.631 983 2HB HIS 129 2HB HIS 129 -6.345 9.550 28.816 984 HD1 HIS 129 HD1 HIS 129 -8.186 9.702 30.516 985 HD2 HIS 129 HD2 HIS 129 -9.229 7.370 27.233 986 HE1 HIS 129 HE1 HIS 129 -10.435 8.723 31.064 987 HE2 HIS 129 HE2 HIS 129 -11.141 7.513 28.967 988 H HIS 130 H HIS 130 -5.840 12.192 27.745 989 HA HIS 130 HA HIS 130 -8.031 13.409 29.148 990 1HB HIS 130 1HB HIS 130 -6.519 15.023 29.942 991 2HB HIS 130 2HB HIS 130 -5.564 13.555 29.821 992 HD1 HIS 130 HD1 HIS 130 -3.731 13.492 27.946 993 HD2 HIS 130 HD2 HIS 130 -5.703 17.131 28.353 994 HE1 HIS 130 HE1 HIS 130 -2.329 15.173 26.701 995 HE2 HIS 130 HE2 HIS 130 -3.434 17.397 27.145 996 H HIS 131 H HIS 131 -9.399 14.907 28.485 997 HA HIS 131 HA HIS 131 -9.355 15.657 25.684 998 1HB HIS 131 1HB HIS 131 -11.453 14.907 26.824 999 2HB HIS 131 2HB HIS 131 -11.385 16.354 27.821 1000 HD1 HIS 131 HD1 HIS 131 -12.139 18.568 26.750 1001 HD2 HIS 131 HD2 HIS 131 -12.189 15.341 24.131 1002 HE1 HIS 131 HE1 HIS 131 -13.367 19.369 24.715 1003 HE2 HIS 131 HE2 HIS 131 -13.154 17.489 23.058 1004 H HIS 132 H HIS 132 -9.010 17.661 24.882 1005 HA HIS 132 HA HIS 132 -8.782 19.908 26.738 1006 1HB HIS 132 1HB HIS 132 -6.490 19.043 26.452 1007 2HB HIS 132 2HB HIS 132 -6.651 19.195 24.707 1008 HD1 HIS 132 HD1 HIS 132 -6.408 21.321 27.830 1009 HD2 HIS 132 HD2 HIS 132 -6.099 21.690 23.694 1010 HE1 HIS 132 HE1 HIS 132 -5.511 23.635 27.414 1011 HE2 HIS 132 HE2 HIS 132 -5.179 23.773 24.918 Start of MODEL 4 1 1H MET 1 1HT MET 1 -1.602 37.032 -18.345 2 2H MET 1 2HT MET 1 -0.916 36.508 -16.887 3 3H MET 1 3HT MET 1 -2.496 36.046 -17.293 4 HA MET 1 HA MET 1 -1.629 34.829 -19.215 5 1HB MET 1 1HB MET 1 0.438 36.104 -19.502 6 2HB MET 1 2HB MET 1 1.021 35.549 -17.942 7 1HG MET 1 1HG MET 1 2.098 34.352 -19.745 8 2HG MET 1 2HG MET 1 1.107 33.263 -18.776 9 1HE MET 1 1HE MET 1 2.301 32.708 -21.754 10 2HE MET 1 2HE MET 1 0.935 31.844 -22.461 11 3HE MET 1 3HE MET 1 1.428 31.508 -20.802 12 HA PRO 2 HA PRO 2 -2.139 32.121 -15.635 13 1HB PRO 2 1HB PRO 2 -3.925 30.446 -16.750 14 2HB PRO 2 2HB PRO 2 -4.378 32.042 -16.140 15 1HG PRO 2 1HG PRO 2 -3.937 31.138 -18.946 16 2HG PRO 2 2HG PRO 2 -5.121 32.290 -18.307 17 1HD PRO 2 1HD PRO 2 -2.744 32.975 -19.564 18 2HD PRO 2 2HD PRO 2 -3.679 34.038 -18.497 19 H LEU 3 H LEU 3 0.064 31.377 -15.899 20 HA LEU 3 HA LEU 3 0.333 28.942 -17.483 21 1HB LEU 3 1HB LEU 3 2.692 28.957 -16.870 22 2HB LEU 3 2HB LEU 3 2.218 30.478 -17.589 23 HG LEU 3 HG LEU 3 2.445 30.132 -14.605 24 1HD1 LEU 3 1HD1 LEU 3 4.577 31.014 -16.547 25 2HD1 LEU 3 2HD1 LEU 3 4.688 31.096 -14.788 26 3HD1 LEU 3 3HD1 LEU 3 4.586 29.531 -15.593 27 1HD2 LEU 3 1HD2 LEU 3 2.565 32.553 -16.403 28 2HD2 LEU 3 2HD2 LEU 3 1.204 32.088 -15.382 29 3HD2 LEU 3 3HD2 LEU 3 2.737 32.560 -14.648 30 H ASN 4 H ASN 4 -0.683 27.313 -16.549 31 HA ASN 4 HA ASN 4 -0.674 27.094 -13.625 32 1HB ASN 4 1HB ASN 4 -2.557 25.467 -14.028 33 2HB ASN 4 2HB ASN 4 -2.880 27.118 -14.549 34 1HD2 ASN 4 2HD2 ASN 4 -2.345 23.845 -15.557 35 2HD2 ASN 4 1HD2 ASN 4 -2.766 24.076 -17.220 36 H GLN 5 H GLN 5 1.619 26.336 -15.186 37 HA GLN 5 HA GLN 5 3.214 24.731 -15.191 38 1HB GLN 5 1HB GLN 5 1.315 23.152 -13.445 39 2HB GLN 5 2HB GLN 5 2.980 22.716 -13.784 40 1HG GLN 5 1HG GLN 5 3.736 24.762 -12.676 41 2HG GLN 5 2HG GLN 5 2.059 25.172 -12.311 42 1HE2 GLN 5 2HE2 GLN 5 3.315 21.916 -12.256 43 2HE2 GLN 5 1HE2 GLN 5 3.188 21.679 -10.547 44 H GLU 6 H GLU 6 2.916 24.491 -17.397 45 HA GLU 6 HA GLU 6 1.062 22.534 -18.410 46 1HB GLU 6 1HB GLU 6 3.296 23.882 -19.931 47 2HB GLU 6 2HB GLU 6 1.857 23.124 -20.596 48 1HG GLU 6 1HG GLU 6 1.315 25.340 -20.760 49 2HG GLU 6 2HG GLU 6 0.601 24.931 -19.201 50 H HIS 7 H HIS 7 3.887 22.202 -16.823 51 HA HIS 7 HA HIS 7 4.627 19.783 -18.340 52 1HB HIS 7 1HB HIS 7 6.332 21.346 -16.385 53 2HB HIS 7 2HB HIS 7 6.842 19.938 -17.308 54 HD1 HIS 7 HD1 HIS 7 7.484 23.318 -17.326 55 HD2 HIS 7 HD2 HIS 7 6.169 20.721 -20.301 56 HE1 HIS 7 HE1 HIS 7 8.033 24.446 -19.508 57 HE2 HIS 7 HE2 HIS 7 7.392 22.778 -21.286 58 HA PRO 8 HA PRO 8 2.887 18.216 -14.446 59 1HB PRO 8 1HB PRO 8 1.348 16.283 -15.640 60 2HB PRO 8 2HB PRO 8 0.838 17.953 -15.399 61 1HG PRO 8 1HG PRO 8 1.432 16.592 -17.873 62 2HG PRO 8 2HG PRO 8 0.795 18.226 -17.637 63 1HD PRO 8 1HD PRO 8 3.541 17.357 -18.208 64 2HD PRO 8 2HD PRO 8 2.807 18.964 -18.384 65 H ASP 9 H ASP 9 5.321 17.178 -16.175 66 HA ASP 9 HA ASP 9 5.282 14.351 -15.900 67 1HB ASP 9 1HB ASP 9 7.556 14.391 -16.638 68 2HB ASP 9 2HB ASP 9 6.706 15.648 -17.530 69 H TYR 10 H TYR 10 6.531 16.984 -13.916 70 HA TYR 10 HA TYR 10 7.335 15.032 -11.884 71 1HB TYR 10 1HB TYR 10 8.842 17.009 -12.614 72 2HB TYR 10 2HB TYR 10 7.744 18.013 -11.676 73 HD1 TYR 10 HD1 TYR 10 10.741 16.250 -11.563 74 HD2 TYR 10 HD2 TYR 10 7.296 17.051 -9.200 75 HE1 TYR 10 HE1 TYR 10 12.012 15.692 -9.533 76 HE2 TYR 10 HE2 TYR 10 8.556 16.499 -7.164 77 HH TYR 10 HH TYR 10 10.682 14.919 -6.709 78 H THR 11 H THR 11 5.402 14.399 -11.047 79 HA THR 11 HA THR 11 3.868 16.465 -9.620 80 HB THR 11 HB THR 11 2.708 14.164 -11.215 81 HG1 THR 11 HG1 THR 11 2.855 15.680 -12.702 82 1HG2 THR 11 1HG2 THR 11 0.519 15.038 -10.560 83 2HG2 THR 11 2HG2 THR 11 1.445 14.530 -9.148 84 3HG2 THR 11 3HG2 THR 11 1.299 16.244 -9.537 85 H TYR 12 H TYR 12 4.466 12.971 -9.964 86 HA TYR 12 HA TYR 12 3.608 12.512 -7.226 87 1HB TYR 12 1HB TYR 12 4.802 10.525 -9.173 88 2HB TYR 12 2HB TYR 12 3.894 10.164 -7.707 89 HD1 TYR 12 HD1 TYR 12 1.439 10.843 -7.622 90 HD2 TYR 12 HD2 TYR 12 3.704 10.807 -11.226 91 HE1 TYR 12 HE1 TYR 12 -0.645 10.822 -8.928 92 HE2 TYR 12 HE2 TYR 12 1.626 10.785 -12.538 93 HH TYR 12 HH TYR 12 -0.788 10.036 -12.152 94 H ALA 13 H ALA 13 5.225 13.887 -6.313 95 HA ALA 13 HA ALA 13 7.996 13.439 -6.733 96 1HB ALA 13 1HB ALA 13 8.339 15.067 -4.965 97 2HB ALA 13 2HB ALA 13 7.098 15.618 -6.092 98 3HB ALA 13 3HB ALA 13 6.635 14.963 -4.521 99 H LEU 14 H LEU 14 5.960 12.854 -3.846 100 HA LEU 14 HA LEU 14 6.349 11.666 -1.936 101 1HB LEU 14 1HB LEU 14 6.134 9.834 -3.649 102 2HB LEU 14 2HB LEU 14 7.882 9.819 -3.776 103 HG LEU 14 HG LEU 14 8.043 9.157 -1.404 104 1HD1 LEU 14 1HD1 LEU 14 6.039 8.457 -0.199 105 2HD1 LEU 14 2HD1 LEU 14 5.979 10.175 -0.597 106 3HD1 LEU 14 3HD1 LEU 14 5.034 9.018 -1.535 107 1HD2 LEU 14 1HD2 LEU 14 6.268 7.392 -3.086 108 2HD2 LEU 14 2HD2 LEU 14 8.029 7.447 -3.134 109 3HD2 LEU 14 3HD2 LEU 14 7.205 6.872 -1.685 110 H ARG 15 H ARG 15 7.917 13.779 -2.122 111 HA ARG 15 HA ARG 15 10.686 13.367 -2.405 112 1HB ARG 15 1HB ARG 15 9.729 15.522 -2.837 113 2HB ARG 15 2HB ARG 15 9.085 15.625 -1.208 114 1HG ARG 15 1HG ARG 15 11.080 17.045 -1.646 115 2HG ARG 15 2HG ARG 15 11.245 15.943 -0.282 116 1HD ARG 15 1HD ARG 15 13.269 16.054 -1.690 117 2HD ARG 15 2HD ARG 15 12.583 14.435 -1.597 118 HE ARG 15 HE ARG 15 11.850 16.071 -3.896 119 1HH1 ARG 15 1HH1 ARG 15 13.776 13.488 -2.548 120 2HH1 ARG 15 2HH1 ARG 15 14.163 12.785 -4.091 121 1HH2 ARG 15 1HH2 ARG 15 12.396 15.178 -5.956 122 2HH2 ARG 15 2HH2 ARG 15 13.430 13.779 -6.022 123 H ALA 16 H ALA 16 8.587 13.244 0.405 124 HA ALA 16 HA ALA 16 10.871 12.284 1.943 125 1HB ALA 16 1HB ALA 16 10.753 14.672 2.440 126 2HB ALA 16 2HB ALA 16 9.073 14.485 2.944 127 3HB ALA 16 3HB ALA 16 10.360 13.697 3.856 128 H ALA 17 H ALA 17 10.369 10.468 2.878 129 HA ALA 17 HA ALA 17 7.594 9.994 3.728 130 1HB ALA 17 1HB ALA 17 8.412 8.366 2.091 131 2HB ALA 17 2HB ALA 17 9.778 7.990 3.141 132 3HB ALA 17 3HB ALA 17 8.137 7.603 3.657 133 H ASP 18 H ASP 18 7.390 10.489 5.809 134 HA ASP 18 HA ASP 18 9.730 10.337 7.558 135 1HB ASP 18 1HB ASP 18 7.016 11.584 8.056 136 2HB ASP 18 2HB ASP 18 8.420 11.718 9.106 137 H GLY 19 H GLY 19 6.338 9.364 7.484 138 1HA GLY 19 1HA GLY 19 5.815 7.123 8.432 139 2HA GLY 19 2HA GLY 19 6.879 7.567 9.765 140 H ARG 20 H ARG 20 6.158 10.147 10.267 141 HA ARG 20 HA ARG 20 3.515 9.887 11.389 142 1HB ARG 20 1HB ARG 20 5.331 11.091 12.592 143 2HB ARG 20 2HB ARG 20 5.317 12.320 11.331 144 1HG ARG 20 1HG ARG 20 3.120 13.003 11.901 145 2HG ARG 20 2HG ARG 20 2.901 11.621 12.971 146 1HD ARG 20 1HD ARG 20 4.808 12.556 14.347 147 2HD ARG 20 2HD ARG 20 4.661 14.023 13.374 148 HE ARG 20 HE ARG 20 2.153 13.189 14.452 149 1HH1 ARG 20 1HH1 ARG 20 5.099 14.950 15.216 150 2HH1 ARG 20 2HH1 ARG 20 4.360 15.845 16.512 151 1HH2 ARG 20 1HH2 ARG 20 1.202 14.386 16.140 152 2HH2 ARG 20 2HH2 ARG 20 2.161 15.532 17.029 153 H HIS 21 H HIS 21 5.040 11.490 8.690 154 HA HIS 21 HA HIS 21 2.478 11.711 7.400 155 1HB HIS 21 1HB HIS 21 2.858 14.112 6.731 156 2HB HIS 21 2HB HIS 21 2.407 13.864 8.409 157 HD1 HIS 21 HD1 HIS 21 5.810 14.050 6.618 158 HD2 HIS 21 HD2 HIS 21 3.790 15.563 9.927 159 HE1 HIS 21 HE1 HIS 21 7.417 15.621 7.739 160 HE2 HIS 21 HE2 HIS 21 6.140 16.615 9.670 161 H ALA 22 H ALA 22 2.851 12.686 5.106 162 HA ALA 22 HA ALA 22 5.502 11.940 4.094 163 1HB ALA 22 1HB ALA 22 4.032 10.004 3.766 164 2HB ALA 22 2HB ALA 22 2.893 11.019 2.882 165 3HB ALA 22 3HB ALA 22 4.504 10.724 2.228 166 H LYS 23 H LYS 23 6.199 13.147 2.354 167 HA LYS 23 HA LYS 23 4.571 15.520 1.796 168 1HB LYS 23 1HB LYS 23 7.497 14.977 1.283 169 2HB LYS 23 2HB LYS 23 6.668 16.471 0.875 170 1HG LYS 23 1HG LYS 23 6.174 16.811 3.272 171 2HG LYS 23 2HG LYS 23 7.107 15.355 3.637 172 1HD LYS 23 1HD LYS 23 9.080 16.375 2.594 173 2HD LYS 23 2HD LYS 23 8.148 17.838 2.275 174 1HE LYS 23 1HE LYS 23 7.794 18.106 4.699 175 2HE LYS 23 2HE LYS 23 8.792 16.680 4.984 176 1HZ LYS 23 1HZ LYS 23 10.684 17.790 4.091 177 2HZ LYS 23 2HZ LYS 23 9.747 19.104 3.567 178 3HZ LYS 23 3HZ LYS 23 9.974 18.835 5.224 179 H VAL 24 H VAL 24 3.177 14.944 0.174 180 HA VAL 24 HA VAL 24 4.264 13.785 -2.268 181 HB VAL 24 HB VAL 24 1.462 14.815 -1.777 182 1HG1 VAL 24 1HG1 VAL 24 2.034 14.614 -4.129 183 2HG1 VAL 24 2HG1 VAL 24 2.563 12.950 -3.876 184 3HG1 VAL 24 3HG1 VAL 24 0.864 13.377 -3.671 185 1HG2 VAL 24 1HG2 VAL 24 2.521 12.005 -1.482 186 2HG2 VAL 24 2HG2 VAL 24 1.987 13.058 -0.173 187 3HG2 VAL 24 3HG2 VAL 24 0.827 12.484 -1.373 188 H ASN 25 H ASN 25 5.710 15.390 -2.864 189 HA ASN 25 HA ASN 25 6.487 17.258 -3.871 190 1HB ASN 25 1HB ASN 25 4.685 16.962 -5.510 191 2HB ASN 25 2HB ASN 25 3.574 17.834 -4.461 192 1HD2 ASN 25 2HD2 ASN 25 3.174 19.326 -6.088 193 2HD2 ASN 25 1HD2 ASN 25 4.316 20.557 -6.514 194 H GLU 26 H GLU 26 3.453 18.708 -2.761 195 HA GLU 26 HA GLU 26 4.914 19.913 -0.508 196 1HB GLU 26 1HB GLU 26 4.515 21.569 -2.341 197 2HB GLU 26 2HB GLU 26 2.788 21.299 -2.155 198 1HG GLU 26 1HG GLU 26 3.163 21.969 0.299 199 2HG GLU 26 2HG GLU 26 4.698 22.622 -0.272 200 H GLN 27 H GLN 27 2.455 17.927 -1.493 201 HA GLN 27 HA GLN 27 0.435 18.801 0.380 202 1HB GLN 27 1HB GLN 27 0.517 16.349 -1.387 203 2HB GLN 27 2HB GLN 27 -0.882 16.928 -0.493 204 1HG GLN 27 1HG GLN 27 -0.849 18.997 -1.825 205 2HG GLN 27 2HG GLN 27 0.507 18.355 -2.750 206 1HE2 GLN 27 2HE2 GLN 27 0.153 16.686 -4.211 207 2HE2 GLN 27 1HE2 GLN 27 -1.432 16.252 -4.752 208 H ILE 28 H ILE 28 0.931 18.458 2.442 209 HA ILE 28 HA ILE 28 2.167 15.975 3.298 210 HB ILE 28 HB ILE 28 1.187 18.326 4.934 211 1HG1 ILE 28 1HG1 ILE 28 3.994 17.553 4.101 212 2HG1 ILE 28 2HG1 ILE 28 3.058 18.870 3.403 213 1HG2 ILE 28 1HG2 ILE 28 2.528 17.354 6.747 214 2HG2 ILE 28 2HG2 ILE 28 1.225 16.278 6.243 215 3HG2 ILE 28 3HG2 ILE 28 2.882 15.959 5.728 216 1HD1 ILE 28 1HD1 ILE 28 4.686 19.692 5.001 217 2HD1 ILE 28 2HD1 ILE 28 3.043 20.001 5.565 218 3HD1 ILE 28 3HD1 ILE 28 3.981 18.679 6.260 219 H LEU 29 H LEU 29 0.804 14.289 3.208 220 HA LEU 29 HA LEU 29 -1.988 14.626 3.950 221 1HB LEU 29 1HB LEU 29 -0.498 12.204 2.930 222 2HB LEU 29 2HB LEU 29 -2.230 12.283 3.197 223 HG LEU 29 HG LEU 29 -0.663 13.882 1.169 224 1HD1 LEU 29 1HD1 LEU 29 -1.947 12.601 -0.467 225 2HD1 LEU 29 2HD1 LEU 29 -0.958 11.549 0.546 226 3HD1 LEU 29 3HD1 LEU 29 -2.692 11.680 0.839 227 1HD2 LEU 29 1HD2 LEU 29 -3.620 13.875 1.758 228 2HD2 LEU 29 2HD2 LEU 29 -2.500 15.198 2.084 229 3HD2 LEU 29 3HD2 LEU 29 -2.834 14.714 0.421 230 H GLN 30 H GLN 30 -3.030 13.204 5.499 231 HA GLN 30 HA GLN 30 -1.235 12.208 7.601 232 1HB GLN 30 1HB GLN 30 -3.451 14.225 7.984 233 2HB GLN 30 2HB GLN 30 -2.718 13.330 9.308 234 1HG GLN 30 1HG GLN 30 -1.137 15.066 7.433 235 2HG GLN 30 2HG GLN 30 -1.861 15.664 8.922 236 1HE2 GLN 30 2HE2 GLN 30 -0.572 12.433 8.713 237 2HE2 GLN 30 1HE2 GLN 30 0.816 12.708 9.706 238 H GLN 31 H GLN 31 -2.808 10.801 5.689 239 HA GLN 31 HA GLN 31 -4.314 9.155 7.544 240 1HB GLN 31 1HB GLN 31 -5.857 10.900 6.373 241 2HB GLN 31 2HB GLN 31 -5.624 9.914 4.937 242 1HG GLN 31 1HG GLN 31 -6.527 7.975 6.142 243 2HG GLN 31 2HG GLN 31 -6.800 8.996 7.553 244 1HE2 GLN 31 2HE2 GLN 31 -8.455 10.521 7.515 245 2HE2 GLN 31 1HE2 GLN 31 -9.704 10.478 6.318 246 H SER 32 H SER 32 -5.373 7.392 5.619 247 HA SER 32 HA SER 32 -2.921 6.278 4.502 248 1HB SER 32 1HB SER 32 -4.474 4.844 5.872 249 2HB SER 32 2HB SER 32 -5.677 5.026 4.597 250 HG SER 32 HG SER 32 -3.121 3.818 4.391 251 H PHE 33 H PHE 33 -2.556 6.075 2.351 252 HA PHE 33 HA PHE 33 -4.707 6.592 0.467 253 1HB PHE 33 1HB PHE 33 -3.282 8.220 -0.807 254 2HB PHE 33 2HB PHE 33 -3.877 8.821 0.734 255 HD1 PHE 33 HD1 PHE 33 -2.331 9.037 2.653 256 HD2 PHE 33 HD2 PHE 33 -0.958 7.981 -1.234 257 HE1 PHE 33 HE1 PHE 33 -0.040 9.654 3.299 258 HE2 PHE 33 HE2 PHE 33 1.336 8.595 -0.593 259 HZ PHE 33 HZ PHE 33 1.798 9.432 1.676 260 H ILE 34 H ILE 34 -4.320 5.768 -1.604 261 HA ILE 34 HA ILE 34 -2.195 3.742 -1.626 262 HB ILE 34 HB ILE 34 -4.635 3.933 -3.400 263 1HG1 ILE 34 1HG1 ILE 34 -4.148 2.108 -1.039 264 2HG1 ILE 34 2HG1 ILE 34 -5.162 3.546 -0.989 265 1HG2 ILE 34 1HG2 ILE 34 -4.095 1.616 -3.996 266 2HG2 ILE 34 2HG2 ILE 34 -2.791 2.722 -4.429 267 3HG2 ILE 34 3HG2 ILE 34 -2.645 1.703 -2.997 268 1HD1 ILE 34 1HD1 ILE 34 -5.624 1.118 -2.706 269 2HD1 ILE 34 2HD1 ILE 34 -6.496 1.534 -1.230 270 3HD1 ILE 34 3HD1 ILE 34 -6.642 2.557 -2.658 271 H LEU 35 H LEU 35 -0.435 4.213 -2.751 272 HA LEU 35 HA LEU 35 -0.665 6.124 -4.974 273 1HB LEU 35 1HB LEU 35 0.878 6.772 -3.186 274 2HB LEU 35 2HB LEU 35 1.756 5.267 -3.381 275 HG LEU 35 HG LEU 35 2.454 5.955 -5.632 276 1HD1 LEU 35 1HD1 LEU 35 2.048 8.239 -6.402 277 2HD1 LEU 35 2HD1 LEU 35 0.541 7.343 -6.218 278 3HD1 LEU 35 3HD1 LEU 35 1.014 8.529 -5.003 279 1HD2 LEU 35 1HD2 LEU 35 3.023 8.003 -3.494 280 2HD2 LEU 35 2HD2 LEU 35 3.882 6.482 -3.735 281 3HD2 LEU 35 3HD2 LEU 35 3.975 7.752 -4.956 282 H MET 36 H MET 36 -0.666 5.304 -6.936 283 HA MET 36 HA MET 36 0.786 2.782 -7.413 284 1HB MET 36 1HB MET 36 -1.800 3.777 -8.614 285 2HB MET 36 2HB MET 36 -0.885 2.435 -9.286 286 1HG MET 36 1HG MET 36 -1.133 1.223 -7.170 287 2HG MET 36 2HG MET 36 -2.083 2.562 -6.528 288 1HE MET 36 1HE MET 36 -3.955 0.724 -5.917 289 2HE MET 36 2HE MET 36 -2.997 -0.550 -6.673 290 3HE MET 36 3HE MET 36 -4.691 -0.342 -7.113 291 HA PRO 37 HA PRO 37 3.025 4.888 -10.632 292 1HB PRO 37 1HB PRO 37 2.766 2.558 -12.395 293 2HB PRO 37 2HB PRO 37 4.208 3.218 -11.623 294 1HG PRO 37 1HG PRO 37 3.131 0.874 -10.861 295 2HG PRO 37 2HG PRO 37 3.916 1.970 -9.708 296 1HD PRO 37 1HD PRO 37 0.993 1.569 -10.249 297 2HD PRO 37 2HD PRO 37 1.837 1.738 -8.694 298 H ASP 38 H ASP 38 0.415 5.680 -10.683 299 HA ASP 38 HA ASP 38 0.039 6.295 -13.458 300 1HB ASP 38 1HB ASP 38 -1.122 4.115 -13.326 301 2HB ASP 38 2HB ASP 38 -2.144 4.753 -12.039 302 H GLU 39 H GLU 39 -1.515 6.278 -10.263 303 HA GLU 39 HA GLU 39 -1.722 9.145 -10.267 304 1HB GLU 39 1HB GLU 39 -3.860 7.712 -11.368 305 2HB GLU 39 2HB GLU 39 -4.378 8.081 -9.730 306 1HG GLU 39 1HG GLU 39 -3.315 10.169 -11.611 307 2HG GLU 39 2HG GLU 39 -5.020 9.736 -11.525 308 H LEU 40 H LEU 40 -2.840 9.883 -8.219 309 HA LEU 40 HA LEU 40 -2.075 8.107 -6.010 310 1HB LEU 40 1HB LEU 40 -1.128 10.359 -5.996 311 2HB LEU 40 2HB LEU 40 -2.734 11.057 -6.078 312 HG LEU 40 HG LEU 40 -3.231 10.104 -3.843 313 1HD1 LEU 40 1HD1 LEU 40 -1.376 9.263 -2.483 314 2HD1 LEU 40 2HD1 LEU 40 -1.697 8.225 -3.873 315 3HD1 LEU 40 3HD1 LEU 40 -0.321 9.326 -3.894 316 1HD2 LEU 40 1HD2 LEU 40 -1.843 11.672 -2.585 317 2HD2 LEU 40 2HD2 LEU 40 -0.777 11.850 -3.978 318 3HD2 LEU 40 3HD2 LEU 40 -2.449 12.401 -4.072 319 H VAL 41 H VAL 41 -3.681 6.856 -5.278 320 HA VAL 41 HA VAL 41 -6.440 7.682 -5.684 321 HB VAL 41 HB VAL 41 -5.389 5.089 -4.550 322 1HG1 VAL 41 1HG1 VAL 41 -8.119 5.825 -5.592 323 2HG1 VAL 41 2HG1 VAL 41 -7.619 4.217 -5.067 324 3HG1 VAL 41 3HG1 VAL 41 -7.691 5.542 -3.905 325 1HG2 VAL 41 1HG2 VAL 41 -4.612 5.412 -6.835 326 2HG2 VAL 41 2HG2 VAL 41 -5.832 4.142 -6.764 327 3HG2 VAL 41 3HG2 VAL 41 -6.263 5.745 -7.361 328 H GLU 42 H GLU 42 -7.048 9.133 -4.206 329 HA GLU 42 HA GLU 42 -6.624 8.549 -1.364 330 1HB GLU 42 1HB GLU 42 -7.652 11.032 -2.758 331 2HB GLU 42 2HB GLU 42 -7.530 10.853 -1.014 332 1HG GLU 42 1HG GLU 42 -5.105 10.570 -1.221 333 2HG GLU 42 2HG GLU 42 -5.238 10.789 -2.966 334 H HIS 43 H HIS 43 -8.902 9.955 -0.420 335 HA HIS 43 HA HIS 43 -11.079 9.642 0.149 336 1HB HIS 43 1HB HIS 43 -11.381 8.492 -2.637 337 2HB HIS 43 2HB HIS 43 -12.699 8.973 -1.578 338 HD1 HIS 43 HD1 HIS 43 -11.510 10.108 -4.501 339 HD2 HIS 43 HD2 HIS 43 -11.761 11.965 -0.784 340 HE1 HIS 43 HE1 HIS 43 -11.484 12.581 -4.971 341 HE2 HIS 43 HE2 HIS 43 -11.483 13.683 -2.702 342 H TRP 44 H TRP 44 -9.327 7.775 1.030 343 HA TRP 44 HA TRP 44 -10.944 5.313 0.974 344 1HB TRP 44 1HB TRP 44 -8.702 5.228 -0.297 345 2HB TRP 44 2HB TRP 44 -7.943 5.310 1.287 346 HD1 TRP 44 HD1 TRP 44 -10.860 3.121 -0.079 347 HE1 TRP 44 HE1 TRP 44 -10.343 0.665 0.507 348 HE3 TRP 44 HE3 TRP 44 -6.346 3.776 2.230 349 HZ2 TRP 44 HZ2 TRP 44 -8.287 -0.794 1.783 350 HZ3 TRP 44 HZ3 TRP 44 -5.169 1.799 3.102 351 HH2 TRP 44 HH2 TRP 44 -6.120 -0.437 2.882 352 HA PRO 45 HA PRO 45 -10.800 6.937 5.220 353 1HB PRO 45 1HB PRO 45 -13.244 5.375 5.590 354 2HB PRO 45 2HB PRO 45 -12.999 7.119 5.723 355 1HG PRO 45 1HG PRO 45 -14.405 6.000 3.703 356 2HG PRO 45 2HG PRO 45 -13.460 7.486 3.499 357 1HD PRO 45 1HD PRO 45 -12.770 4.677 2.716 358 2HD PRO 45 2HD PRO 45 -12.510 6.192 1.823 359 H VAL 46 H VAL 46 -8.953 5.525 5.545 360 HA VAL 46 HA VAL 46 -9.705 3.273 7.268 361 HB VAL 46 HB VAL 46 -7.477 3.240 5.221 362 1HG1 VAL 46 1HG1 VAL 46 -8.151 1.203 7.344 363 2HG1 VAL 46 2HG1 VAL 46 -6.957 0.997 6.062 364 3HG1 VAL 46 3HG1 VAL 46 -6.715 2.225 7.304 365 1HG2 VAL 46 1HG2 VAL 46 -9.924 1.508 5.543 366 2HG2 VAL 46 2HG2 VAL 46 -9.678 2.739 4.304 367 3HG2 VAL 46 3HG2 VAL 46 -8.666 1.295 4.327 368 HA PRO 47 HA PRO 47 -6.970 5.866 9.867 369 1HB PRO 47 1HB PRO 47 -8.337 4.249 11.927 370 2HB PRO 47 2HB PRO 47 -8.146 6.001 11.823 371 1HG PRO 47 1HG PRO 47 -10.510 4.822 11.379 372 2HG PRO 47 2HG PRO 47 -10.002 6.259 10.472 373 1HD PRO 47 1HD PRO 47 -10.009 3.388 9.630 374 2HD PRO 47 2HD PRO 47 -10.433 4.838 8.697 375 H SER 48 H SER 48 -5.315 5.140 11.392 376 HA SER 48 HA SER 48 -3.798 3.039 10.443 377 1HB SER 48 1HB SER 48 -3.636 4.032 13.283 378 2HB SER 48 2HB SER 48 -2.322 3.516 12.222 379 HG SER 48 HG SER 48 -2.163 5.594 11.830 380 H LEU 49 H LEU 49 -4.553 1.016 10.345 381 HA LEU 49 HA LEU 49 -5.315 -1.026 10.886 382 1HB LEU 49 1HB LEU 49 -4.389 -0.248 13.648 383 2HB LEU 49 2HB LEU 49 -4.806 -1.865 13.131 384 HG LEU 49 HG LEU 49 -2.492 -0.216 12.131 385 1HD1 LEU 49 1HD1 LEU 49 -2.176 -1.157 14.360 386 2HD1 LEU 49 2HD1 LEU 49 -2.592 -2.757 13.748 387 3HD1 LEU 49 3HD1 LEU 49 -1.134 -1.948 13.177 388 1HD2 LEU 49 1HD2 LEU 49 -3.359 -2.996 11.337 389 2HD2 LEU 49 2HD2 LEU 49 -3.445 -1.555 10.323 390 3HD2 LEU 49 3HD2 LEU 49 -1.877 -2.188 10.826 391 H GLY 50 H GLY 50 -7.056 1.421 11.251 392 1HA GLY 50 1HA GLY 50 -8.932 0.522 13.298 393 2HA GLY 50 2HA GLY 50 -9.023 2.024 12.387 394 H GLN 51 H GLN 51 -9.709 1.901 10.156 395 HA GLN 51 HA GLN 51 -11.772 -0.125 9.834 396 1HB GLN 51 1HB GLN 51 -11.192 2.419 8.311 397 2HB GLN 51 2HB GLN 51 -12.495 1.311 7.907 398 1HG GLN 51 1HG GLN 51 -13.492 1.679 10.109 399 2HG GLN 51 2HG GLN 51 -12.190 2.801 10.506 400 1HE2 GLN 51 2HE2 GLN 51 -15.073 2.296 8.645 401 2HE2 GLN 51 1HE2 GLN 51 -15.298 3.945 8.161 402 H LEU 52 H LEU 52 -8.826 -0.572 9.445 403 HA LEU 52 HA LEU 52 -8.518 -1.189 6.659 404 1HB LEU 52 1HB LEU 52 -6.595 -0.694 8.156 405 2HB LEU 52 2HB LEU 52 -6.926 -2.173 9.033 406 HG LEU 52 HG LEU 52 -6.421 -3.491 7.028 407 1HD1 LEU 52 1HD1 LEU 52 -5.450 -2.420 5.058 408 2HD1 LEU 52 2HD1 LEU 52 -7.108 -1.886 5.332 409 3HD1 LEU 52 3HD1 LEU 52 -5.760 -0.834 5.765 410 1HD2 LEU 52 1HD2 LEU 52 -4.017 -3.059 6.954 411 2HD2 LEU 52 2HD2 LEU 52 -4.272 -1.500 7.737 412 3HD2 LEU 52 3HD2 LEU 52 -4.634 -2.993 8.605 413 H GLN 53 H GLN 53 -10.357 -2.386 6.236 414 HA GLN 53 HA GLN 53 -10.554 -5.037 7.504 415 1HB GLN 53 1HB GLN 53 -12.823 -3.208 6.674 416 2HB GLN 53 2HB GLN 53 -12.997 -4.802 7.396 417 1HG GLN 53 1HG GLN 53 -12.235 -4.074 9.478 418 2HG GLN 53 2HG GLN 53 -11.536 -2.602 8.804 419 1HE2 GLN 53 2HE2 GLN 53 -13.413 -2.928 10.998 420 2HE2 GLN 53 1HE2 GLN 53 -14.818 -2.003 10.572 421 HA PRO 54 HA PRO 54 -10.678 -6.925 3.503 422 1HB PRO 54 1HB PRO 54 -13.266 -8.182 4.264 423 2HB PRO 54 2HB PRO 54 -11.773 -8.935 3.690 424 1HG PRO 54 1HG PRO 54 -12.465 -9.087 6.254 425 2HG PRO 54 2HG PRO 54 -10.772 -8.847 5.783 426 1HD PRO 54 1HD PRO 54 -12.746 -6.867 6.846 427 2HD PRO 54 2HD PRO 54 -11.009 -7.020 7.182 428 H ALA 55 H ALA 55 -13.597 -5.366 4.662 429 HA ALA 55 HA ALA 55 -14.976 -5.196 2.209 430 1HB ALA 55 1HB ALA 55 -15.116 -3.330 4.577 431 2HB ALA 55 2HB ALA 55 -16.303 -3.455 3.279 432 3HB ALA 55 3HB ALA 55 -16.052 -4.811 4.378 433 H HIS 56 H HIS 56 -12.742 -2.939 3.815 434 HA HIS 56 HA HIS 56 -12.863 -1.043 1.656 435 1HB HIS 56 1HB HIS 56 -11.163 -1.254 4.132 436 2HB HIS 56 2HB HIS 56 -10.835 -0.043 2.897 437 HD1 HIS 56 HD1 HIS 56 -12.136 0.054 6.011 438 HD2 HIS 56 HD2 HIS 56 -13.797 1.094 2.341 439 HE1 HIS 56 HE1 HIS 56 -13.990 1.673 6.536 440 HE2 HIS 56 HE2 HIS 56 -14.920 2.365 4.296 441 H MET 57 H MET 57 -10.848 -3.719 2.580 442 HA MET 57 HA MET 57 -8.703 -3.177 0.787 443 1HB MET 57 1HB MET 57 -8.482 -4.649 2.763 444 2HB MET 57 2HB MET 57 -9.576 -5.804 2.014 445 1HG MET 57 1HG MET 57 -7.282 -6.523 1.774 446 2HG MET 57 2HG MET 57 -7.976 -6.142 0.199 447 1HE MET 57 1HE MET 57 -5.495 -6.112 -0.828 448 2HE MET 57 2HE MET 57 -4.836 -6.468 0.770 449 3HE MET 57 3HE MET 57 -4.189 -5.123 -0.169 450 H ASP 58 H ASP 58 -11.828 -4.584 0.478 451 HA ASP 58 HA ASP 58 -11.484 -6.254 -1.741 452 1HB ASP 58 1HB ASP 58 -13.517 -6.040 -0.216 453 2HB ASP 58 2HB ASP 58 -13.970 -4.637 -1.177 454 H ALA 59 H ALA 59 -11.913 -2.787 -1.495 455 HA ALA 59 HA ALA 59 -12.307 -2.218 -4.231 456 1HB ALA 59 1HB ALA 59 -12.696 -0.585 -2.431 457 2HB ALA 59 2HB ALA 59 -10.959 -0.510 -2.136 458 3HB ALA 59 3HB ALA 59 -11.617 0.048 -3.674 459 H VAL 60 H VAL 60 -9.400 -2.497 -2.242 460 HA VAL 60 HA VAL 60 -7.541 -1.838 -4.282 461 HB VAL 60 HB VAL 60 -7.030 -3.569 -1.854 462 1HG1 VAL 60 1HG1 VAL 60 -4.742 -2.693 -2.031 463 2HG1 VAL 60 2HG1 VAL 60 -5.223 -3.584 -3.474 464 3HG1 VAL 60 3HG1 VAL 60 -5.198 -1.821 -3.494 465 1HG2 VAL 60 1HG2 VAL 60 -8.114 -1.510 -1.149 466 2HG2 VAL 60 2HG2 VAL 60 -6.413 -1.505 -0.683 467 3HG2 VAL 60 3HG2 VAL 60 -6.948 -0.562 -2.073 468 H LEU 61 H LEU 61 -8.978 -4.826 -3.126 469 HA LEU 61 HA LEU 61 -7.454 -6.659 -4.594 470 1HB LEU 61 1HB LEU 61 -10.368 -6.848 -3.823 471 2HB LEU 61 2HB LEU 61 -9.353 -8.191 -4.312 472 HG LEU 61 HG LEU 61 -8.989 -6.528 -1.817 473 1HD1 LEU 61 1HD1 LEU 61 -9.935 -9.369 -2.164 474 2HD1 LEU 61 2HD1 LEU 61 -9.690 -8.529 -0.634 475 3HD1 LEU 61 3HD1 LEU 61 -10.952 -7.992 -1.741 476 1HD2 LEU 61 1HD2 LEU 61 -7.303 -8.180 -1.208 477 2HD2 LEU 61 2HD2 LEU 61 -7.517 -8.986 -2.763 478 3HD2 LEU 61 3HD2 LEU 61 -6.864 -7.349 -2.701 479 H ALA 62 H ALA 62 -10.334 -4.806 -5.450 480 HA ALA 62 HA ALA 62 -10.770 -6.048 -7.966 481 1HB ALA 62 1HB ALA 62 -12.533 -4.832 -6.793 482 2HB ALA 62 2HB ALA 62 -11.644 -3.324 -7.009 483 3HB ALA 62 3HB ALA 62 -12.278 -4.182 -8.412 484 H LEU 63 H LEU 63 -8.801 -3.359 -6.896 485 HA LEU 63 HA LEU 63 -8.174 -2.341 -9.474 486 1HB LEU 63 1HB LEU 63 -6.605 -2.161 -6.898 487 2HB LEU 63 2HB LEU 63 -6.315 -1.196 -8.333 488 HG LEU 63 HG LEU 63 -8.839 -1.127 -6.677 489 1HD1 LEU 63 1HD1 LEU 63 -6.571 0.848 -6.869 490 2HD1 LEU 63 2HD1 LEU 63 -8.075 1.084 -5.978 491 3HD1 LEU 63 3HD1 LEU 63 -6.943 -0.175 -5.481 492 1HD2 LEU 63 1HD2 LEU 63 -9.399 0.831 -8.037 493 2HD2 LEU 63 2HD2 LEU 63 -7.951 0.567 -9.008 494 3HD2 LEU 63 3HD2 LEU 63 -9.252 -0.623 -9.023 495 H ASN 64 H ASN 64 -7.220 -5.107 -7.779 496 HA ASN 64 HA ASN 64 -5.890 -6.861 -8.246 497 1HB ASN 64 1HB ASN 64 -6.934 -6.714 -10.483 498 2HB ASN 64 2HB ASN 64 -5.630 -5.650 -11.003 499 1HD2 ASN 64 2HD2 ASN 64 -6.494 -8.896 -10.081 500 2HD2 ASN 64 1HD2 ASN 64 -5.069 -9.664 -10.700 501 HA PRO 65 HA PRO 65 -1.858 -4.863 -7.772 502 1HB PRO 65 1HB PRO 65 -1.584 -5.253 -5.106 503 2HB PRO 65 2HB PRO 65 -2.406 -3.847 -5.783 504 1HG PRO 65 1HG PRO 65 -3.529 -6.130 -4.340 505 2HG PRO 65 2HG PRO 65 -4.263 -4.559 -4.695 506 1HD PRO 65 1HD PRO 65 -4.619 -7.096 -6.071 507 2HD PRO 65 2HD PRO 65 -5.508 -5.576 -6.289 508 H ALA 66 H ALA 66 -0.184 -6.157 -8.291 509 HA ALA 66 HA ALA 66 -0.251 -8.981 -7.718 510 1HB ALA 66 1HB ALA 66 1.906 -9.057 -8.876 511 2HB ALA 66 2HB ALA 66 0.707 -8.171 -9.817 512 3HB ALA 66 3HB ALA 66 1.947 -7.295 -8.921 513 H VAL 67 H VAL 67 1.576 -6.165 -6.682 514 HA VAL 67 HA VAL 67 2.209 -7.578 -4.195 515 HB VAL 67 HB VAL 67 4.265 -7.574 -5.502 516 1HG1 VAL 67 1HG1 VAL 67 3.938 -4.582 -5.646 517 2HG1 VAL 67 2HG1 VAL 67 5.361 -5.484 -6.171 518 3HG1 VAL 67 3HG1 VAL 67 3.816 -5.718 -6.990 519 1HG2 VAL 67 1HG2 VAL 67 4.481 -7.298 -3.099 520 2HG2 VAL 67 2HG2 VAL 67 5.747 -6.403 -3.938 521 3HG2 VAL 67 3HG2 VAL 67 4.356 -5.547 -3.271 522 H ILE 68 H ILE 68 1.933 -6.373 -2.367 523 HA ILE 68 HA ILE 68 1.251 -3.541 -2.738 524 HB ILE 68 HB ILE 68 -0.869 -4.598 -2.494 525 1HG1 ILE 68 1HG1 ILE 68 -0.065 -3.473 0.199 526 2HG1 ILE 68 2HG1 ILE 68 -0.535 -2.518 -1.203 527 1HG2 ILE 68 1HG2 ILE 68 0.211 -5.989 -0.052 528 2HG2 ILE 68 2HG2 ILE 68 -1.447 -6.076 -0.646 529 3HG2 ILE 68 3HG2 ILE 68 -0.128 -6.739 -1.612 530 1HD1 ILE 68 1HD1 ILE 68 -2.288 -4.466 0.277 531 2HD1 ILE 68 2HD1 ILE 68 -2.355 -2.708 0.389 532 3HD1 ILE 68 3HD1 ILE 68 -2.763 -3.510 -1.128 533 H LEU 69 H LEU 69 2.364 -2.244 -1.516 534 HA LEU 69 HA LEU 69 3.889 -3.364 0.727 535 1HB LEU 69 1HB LEU 69 4.273 -0.840 -0.884 536 2HB LEU 69 2HB LEU 69 5.252 -1.285 0.501 537 HG LEU 69 HG LEU 69 5.037 -2.990 -1.979 538 1HD1 LEU 69 1HD1 LEU 69 5.983 -0.823 -2.571 539 2HD1 LEU 69 2HD1 LEU 69 7.139 -0.953 -1.244 540 3HD1 LEU 69 3HD1 LEU 69 7.223 -2.076 -2.600 541 1HD2 LEU 69 1HD2 LEU 69 7.001 -2.969 0.309 542 2HD2 LEU 69 2HD2 LEU 69 5.728 -4.161 0.045 543 3HD2 LEU 69 3HD2 LEU 69 7.062 -4.027 -1.100 544 H LEU 70 H LEU 70 3.027 -3.053 2.644 545 HA LEU 70 HA LEU 70 1.146 -0.850 3.030 546 1HB LEU 70 1HB LEU 70 0.519 -3.177 3.666 547 2HB LEU 70 2HB LEU 70 1.810 -3.168 4.852 548 HG LEU 70 HG LEU 70 0.670 -1.288 6.016 549 1HD1 LEU 70 1HD1 LEU 70 -1.658 -0.797 5.451 550 2HD1 LEU 70 2HD1 LEU 70 -0.573 -0.390 4.123 551 3HD1 LEU 70 3HD1 LEU 70 -1.545 -1.861 4.048 552 1HD2 LEU 70 1HD2 LEU 70 -1.119 -2.659 6.974 553 2HD2 LEU 70 2HD2 LEU 70 -0.967 -3.791 5.629 554 3HD2 LEU 70 3HD2 LEU 70 0.367 -3.584 6.763 555 H GLY 71 H GLY 71 2.308 0.968 3.409 556 1HA GLY 71 1HA GLY 71 4.550 0.893 5.283 557 2HA GLY 71 2HA GLY 71 4.041 2.275 4.319 558 H THR 72 H THR 72 3.647 0.552 7.289 559 HA THR 72 HA THR 72 1.257 1.980 8.069 560 HB THR 72 HB THR 72 1.548 0.702 10.213 561 HG1 THR 72 HG1 THR 72 3.754 0.326 10.224 562 1HG2 THR 72 1HG2 THR 72 0.123 -0.171 8.459 563 2HG2 THR 72 2HG2 THR 72 1.519 -0.860 7.627 564 3HG2 THR 72 3HG2 THR 72 1.024 -1.495 9.196 565 H GLY 73 H GLY 73 3.012 3.928 7.643 566 1HA GLY 73 1HA GLY 73 3.943 5.777 8.618 567 2HA GLY 73 2HA GLY 73 3.250 5.228 10.136 568 H GLU 74 H GLU 74 4.790 5.263 11.605 569 HA GLU 74 HA GLU 74 7.558 4.972 10.899 570 1HB GLU 74 1HB GLU 74 6.417 6.498 12.701 571 2HB GLU 74 2HB GLU 74 6.550 5.075 13.721 572 1HG GLU 74 1HG GLU 74 8.903 6.281 12.301 573 2HG GLU 74 2HG GLU 74 8.391 6.786 13.907 574 H ARG 75 H ARG 75 5.429 3.246 13.199 575 HA ARG 75 HA ARG 75 7.360 1.096 13.394 576 1HB ARG 75 1HB ARG 75 4.662 1.479 14.700 577 2HB ARG 75 2HB ARG 75 5.723 0.112 15.002 578 1HG ARG 75 1HG ARG 75 6.293 3.004 15.621 579 2HG ARG 75 2HG ARG 75 5.934 1.722 16.778 580 1HD ARG 75 1HD ARG 75 8.057 0.691 15.373 581 2HD ARG 75 2HD ARG 75 8.442 2.410 15.450 582 HE ARG 75 HE ARG 75 8.139 0.576 17.725 583 1HH1 ARG 75 1HH1 ARG 75 9.036 3.742 16.479 584 2HH1 ARG 75 2HH1 ARG 75 9.759 4.248 17.978 585 1HH2 ARG 75 1HH2 ARG 75 9.082 1.260 19.684 586 2HH2 ARG 75 2HH2 ARG 75 9.778 2.856 19.793 587 H GLN 76 H GLN 76 7.136 -0.948 12.641 588 HA GLN 76 HA GLN 76 5.463 -1.384 10.378 589 1HB GLN 76 1HB GLN 76 7.702 -2.391 10.635 590 2HB GLN 76 2HB GLN 76 7.112 -3.340 11.991 591 1HG GLN 76 1HG GLN 76 5.476 -4.399 10.426 592 2HG GLN 76 2HG GLN 76 6.301 -3.570 9.106 593 1HE2 GLN 76 2HE2 GLN 76 6.996 -5.442 8.124 594 2HE2 GLN 76 1HE2 GLN 76 8.217 -6.467 8.811 595 H GLN 77 H GLN 77 3.375 -1.806 10.478 596 HA GLN 77 HA GLN 77 2.345 -3.417 12.724 597 1HB GLN 77 1HB GLN 77 0.992 -1.132 11.270 598 2HB GLN 77 2HB GLN 77 0.249 -2.117 12.525 599 1HG GLN 77 1HG GLN 77 1.734 -1.283 14.180 600 2HG GLN 77 2HG GLN 77 2.749 -0.507 12.966 601 1HE2 GLN 77 2HE2 GLN 77 2.083 1.417 12.039 602 2HE2 GLN 77 1HE2 GLN 77 0.807 2.369 12.709 603 H PHE 78 H PHE 78 0.188 -4.485 12.123 604 HA PHE 78 HA PHE 78 0.173 -5.308 9.319 605 1HB PHE 78 1HB PHE 78 0.078 -7.713 10.023 606 2HB PHE 78 2HB PHE 78 1.626 -6.934 10.320 607 HD1 PHE 78 HD1 PHE 78 2.349 -6.424 12.590 608 HD2 PHE 78 HD2 PHE 78 -1.312 -8.460 11.836 609 HE1 PHE 78 HE1 PHE 78 2.259 -7.127 14.946 610 HE2 PHE 78 HE2 PHE 78 -1.410 -9.164 14.189 611 HZ PHE 78 HZ PHE 78 0.377 -8.499 15.747 612 HA PRO 79 HA PRO 79 -4.204 -5.357 9.950 613 1HB PRO 79 1HB PRO 79 -4.618 -7.099 7.706 614 2HB PRO 79 2HB PRO 79 -4.788 -5.345 7.769 615 1HG PRO 79 1HG PRO 79 -2.850 -6.676 6.331 616 2HG PRO 79 2HG PRO 79 -2.719 -4.996 6.883 617 1HD PRO 79 1HD PRO 79 -1.540 -7.481 8.062 618 2HD PRO 79 2HD PRO 79 -0.837 -5.854 7.913 619 H SER 80 H SER 80 -6.108 -6.953 9.869 620 HA SER 80 HA SER 80 -5.468 -9.132 11.631 621 1HB SER 80 1HB SER 80 -8.125 -8.294 10.454 622 2HB SER 80 2HB SER 80 -7.891 -9.410 11.800 623 HG SER 80 HG SER 80 -7.351 -6.626 11.698 624 H THR 81 H THR 81 -6.710 -11.276 11.225 625 HA THR 81 HA THR 81 -5.302 -12.502 9.132 626 HB THR 81 HB THR 81 -6.811 -14.492 9.824 627 HG1 THR 81 HG1 THR 81 -7.662 -14.070 12.002 628 1HG2 THR 81 1HG2 THR 81 -4.982 -13.142 11.811 629 2HG2 THR 81 2HG2 THR 81 -5.465 -14.837 11.853 630 3HG2 THR 81 3HG2 THR 81 -4.483 -14.234 10.519 631 H ASP 82 H ASP 82 -8.695 -11.532 9.424 632 HA ASP 82 HA ASP 82 -9.635 -12.897 7.136 633 1HB ASP 82 1HB ASP 82 -10.636 -10.451 8.583 634 2HB ASP 82 2HB ASP 82 -11.449 -11.082 7.156 635 H VAL 83 H VAL 83 -7.955 -9.879 7.542 636 HA VAL 83 HA VAL 83 -8.389 -8.935 4.872 637 HB VAL 83 HB VAL 83 -6.172 -8.145 6.772 638 1HG1 VAL 83 1HG1 VAL 83 -6.168 -6.044 5.508 639 2HG1 VAL 83 2HG1 VAL 83 -5.808 -7.426 4.473 640 3HG1 VAL 83 3HG1 VAL 83 -7.411 -6.690 4.435 641 1HG2 VAL 83 1HG2 VAL 83 -7.637 -6.294 7.464 642 2HG2 VAL 83 2HG2 VAL 83 -8.941 -6.977 6.493 643 3HG2 VAL 83 3HG2 VAL 83 -8.318 -7.868 7.882 644 H LEU 84 H LEU 84 -5.893 -10.742 6.567 645 HA LEU 84 HA LEU 84 -3.986 -10.879 4.507 646 1HB LEU 84 1HB LEU 84 -4.566 -12.932 6.647 647 2HB LEU 84 2HB LEU 84 -3.084 -12.797 5.722 648 HG LEU 84 HG LEU 84 -4.099 -10.724 7.672 649 1HD1 LEU 84 1HD1 LEU 84 -3.416 -12.765 8.805 650 2HD1 LEU 84 2HD1 LEU 84 -1.882 -12.751 7.934 651 3HD1 LEU 84 3HD1 LEU 84 -2.251 -11.472 9.091 652 1HD2 LEU 84 1HD2 LEU 84 -1.885 -9.725 7.396 653 2HD2 LEU 84 2HD2 LEU 84 -1.487 -10.936 6.179 654 3HD2 LEU 84 3HD2 LEU 84 -2.766 -9.763 5.868 655 H ALA 85 H ALA 85 -6.714 -12.960 5.341 656 HA ALA 85 HA ALA 85 -6.263 -15.023 3.517 657 1HB ALA 85 1HB ALA 85 -8.602 -15.598 3.820 658 2HB ALA 85 2HB ALA 85 -7.870 -15.153 5.362 659 3HB ALA 85 3HB ALA 85 -8.919 -14.010 4.521 660 H ALA 86 H ALA 86 -7.860 -11.916 3.100 661 HA ALA 86 HA ALA 86 -8.981 -12.433 0.553 662 1HB ALA 86 1HB ALA 86 -9.732 -10.600 2.003 663 2HB ALA 86 2HB ALA 86 -8.189 -9.783 1.761 664 3HB ALA 86 3HB ALA 86 -9.283 -10.024 0.399 665 H CYS 87 H CYS 87 -5.830 -11.435 1.621 666 HA CYS 87 HA CYS 87 -4.935 -10.688 -1.022 667 1HB CYS 87 1HB CYS 87 -3.301 -11.111 1.489 668 2HB CYS 87 2HB CYS 87 -2.805 -10.244 0.038 669 HG CYS 87 HG CYS 87 -5.208 -9.255 2.270 670 H LEU 88 H LEU 88 -4.575 -13.379 1.220 671 HA LEU 88 HA LEU 88 -2.642 -14.841 -0.196 672 1HB LEU 88 1HB LEU 88 -4.816 -15.786 1.673 673 2HB LEU 88 2HB LEU 88 -3.508 -16.798 1.092 674 HG LEU 88 HG LEU 88 -3.144 -14.312 2.766 675 1HD1 LEU 88 1HD1 LEU 88 -2.993 -17.225 3.533 676 2HD1 LEU 88 2HD1 LEU 88 -2.596 -15.858 4.575 677 3HD1 LEU 88 3HD1 LEU 88 -4.253 -16.089 4.016 678 1HD2 LEU 88 1HD2 LEU 88 -1.242 -14.790 1.312 679 2HD2 LEU 88 2HD2 LEU 88 -0.843 -15.099 3.002 680 3HD2 LEU 88 3HD2 LEU 88 -1.188 -16.445 1.916 681 H THR 89 H THR 89 -6.176 -14.903 -0.342 682 HA THR 89 HA THR 89 -6.401 -17.189 -1.967 683 HB THR 89 HB THR 89 -8.703 -16.149 -2.537 684 HG1 THR 89 HG1 THR 89 -8.252 -14.549 -0.268 685 1HG2 THR 89 1HG2 THR 89 -9.576 -16.765 -0.327 686 2HG2 THR 89 2HG2 THR 89 -8.380 -17.930 -0.897 687 3HG2 THR 89 3HG2 THR 89 -7.937 -16.738 0.326 688 H ARG 90 H ARG 90 -5.878 -13.817 -2.759 689 HA ARG 90 HA ARG 90 -6.223 -14.398 -5.602 690 1HB ARG 90 1HB ARG 90 -5.676 -11.785 -4.186 691 2HB ARG 90 2HB ARG 90 -5.877 -11.958 -5.923 692 1HG ARG 90 1HG ARG 90 -8.162 -12.883 -5.477 693 2HG ARG 90 2HG ARG 90 -7.939 -12.427 -3.786 694 1HD ARG 90 1HD ARG 90 -7.570 -10.098 -4.487 695 2HD ARG 90 2HD ARG 90 -7.858 -10.571 -6.160 696 HE ARG 90 HE ARG 90 -9.934 -10.944 -4.098 697 1HH1 ARG 90 1HH1 ARG 90 -8.870 -9.638 -7.176 698 2HH1 ARG 90 2HH1 ARG 90 -10.431 -9.018 -7.606 699 1HH2 ARG 90 1HH2 ARG 90 -11.991 -10.087 -4.641 700 2HH2 ARG 90 2HH2 ARG 90 -12.203 -9.271 -6.167 701 H GLY 91 H GLY 91 -3.787 -14.490 -3.330 702 1HA GLY 91 1HA GLY 91 -1.547 -14.971 -3.592 703 2HA GLY 91 2HA GLY 91 -1.790 -14.939 -5.331 704 H ILE 92 H ILE 92 -2.414 -12.385 -2.987 705 HA ILE 92 HA ILE 92 -0.786 -10.569 -4.589 706 HB ILE 92 HB ILE 92 -2.574 -9.981 -2.223 707 1HG1 ILE 92 1HG1 ILE 92 -3.088 -9.633 -5.187 708 2HG1 ILE 92 2HG1 ILE 92 -3.802 -10.883 -4.172 709 1HG2 ILE 92 1HG2 ILE 92 -1.275 -8.134 -4.223 710 2HG2 ILE 92 2HG2 ILE 92 -2.424 -7.649 -2.977 711 3HG2 ILE 92 3HG2 ILE 92 -0.849 -8.296 -2.519 712 1HD1 ILE 92 1HD1 ILE 92 -5.358 -9.070 -4.568 713 2HD1 ILE 92 2HD1 ILE 92 -4.930 -9.166 -2.860 714 3HD1 ILE 92 3HD1 ILE 92 -4.213 -7.919 -3.879 715 H GLY 93 H GLY 93 1.214 -10.007 -4.023 716 1HA GLY 93 1HA GLY 93 2.425 -11.057 -1.653 717 2HA GLY 93 2HA GLY 93 3.182 -9.983 -2.822 718 H LEU 94 H LEU 94 1.509 -10.219 0.180 719 HA LEU 94 HA LEU 94 1.371 -7.323 0.497 720 1HB LEU 94 1HB LEU 94 -0.572 -8.560 1.210 721 2HB LEU 94 2HB LEU 94 0.408 -9.602 2.223 722 HG LEU 94 HG LEU 94 0.923 -7.686 3.688 723 1HD1 LEU 94 1HD1 LEU 94 -1.013 -6.178 1.937 724 2HD1 LEU 94 2HD1 LEU 94 -0.305 -5.595 3.444 725 3HD1 LEU 94 3HD1 LEU 94 0.725 -5.895 2.044 726 1HD2 LEU 94 1HD2 LEU 94 -1.300 -7.473 4.682 727 2HD2 LEU 94 2HD2 LEU 94 -2.018 -8.142 3.218 728 3HD2 LEU 94 3HD2 LEU 94 -0.956 -9.138 4.214 729 H GLU 95 H GLU 95 3.091 -6.291 1.228 730 HA GLU 95 HA GLU 95 4.714 -7.605 3.309 731 1HB GLU 95 1HB GLU 95 5.618 -5.622 1.215 732 2HB GLU 95 2HB GLU 95 6.617 -6.212 2.534 733 1HG GLU 95 1HG GLU 95 6.131 -8.548 1.577 734 2HG GLU 95 2HG GLU 95 5.618 -7.674 0.130 735 H ALA 96 H ALA 96 4.417 -6.709 5.216 736 HA ALA 96 HA ALA 96 3.508 -3.975 5.487 737 1HB ALA 96 1HB ALA 96 2.641 -5.687 7.000 738 2HB ALA 96 2HB ALA 96 4.271 -6.010 7.587 739 3HB ALA 96 3HB ALA 96 3.517 -4.445 7.894 740 H MET 97 H MET 97 4.866 -2.306 5.522 741 HA MET 97 HA MET 97 7.648 -2.759 6.371 742 1HB MET 97 1HB MET 97 6.758 -1.300 3.876 743 2HB MET 97 2HB MET 97 8.401 -1.313 4.494 744 1HG MET 97 1HG MET 97 6.902 -3.783 3.658 745 2HG MET 97 2HG MET 97 7.986 -2.875 2.605 746 1HE MET 97 1HE MET 97 10.280 -1.980 4.598 747 2HE MET 97 2HE MET 97 10.590 -2.645 2.994 748 3HE MET 97 3HE MET 97 11.432 -3.302 4.398 749 H THR 98 H THR 98 8.813 -0.623 6.631 750 HA THR 98 HA THR 98 7.166 1.237 8.093 751 HB THR 98 HB THR 98 9.331 2.471 8.423 752 HG1 THR 98 HG1 THR 98 11.245 1.360 7.756 753 1HG2 THR 98 1HG2 THR 98 9.335 -0.466 9.133 754 2HG2 THR 98 2HG2 THR 98 10.336 0.772 9.896 755 3HG2 THR 98 3HG2 THR 98 8.582 0.831 10.062 756 H ASN 99 H ASN 99 7.073 3.516 7.567 757 HA ASN 99 HA ASN 99 6.156 3.934 4.973 758 1HB ASN 99 1HB ASN 99 5.603 5.254 7.058 759 2HB ASN 99 2HB ASN 99 7.134 6.094 6.846 760 1HD2 ASN 99 2HD2 ASN 99 3.938 5.593 5.591 761 2HD2 ASN 99 1HD2 ASN 99 3.922 6.968 4.546 762 H ALA 100 H ALA 100 9.224 4.969 6.442 763 HA ALA 100 HA ALA 100 10.241 6.300 4.188 764 1HB ALA 100 1HB ALA 100 11.791 4.967 6.401 765 2HB ALA 100 2HB ALA 100 12.390 6.210 5.302 766 3HB ALA 100 3HB ALA 100 11.116 6.595 6.459 767 H ALA 101 H ALA 101 10.502 2.910 5.179 768 HA ALA 101 HA ALA 101 12.455 2.288 3.171 769 1HB ALA 101 1HB ALA 101 12.193 -0.018 3.875 770 2HB ALA 101 2HB ALA 101 12.349 1.041 5.277 771 3HB ALA 101 3HB ALA 101 10.765 0.413 4.817 772 H ALA 102 H ALA 102 8.961 1.882 3.508 773 HA ALA 102 HA ALA 102 8.516 0.281 1.250 774 1HB ALA 102 1HB ALA 102 6.673 2.347 2.448 775 2HB ALA 102 2HB ALA 102 6.202 1.029 1.377 776 3HB ALA 102 3HB ALA 102 6.830 0.674 2.985 777 H ALA 103 H ALA 103 8.818 3.767 1.606 778 HA ALA 103 HA ALA 103 8.033 4.540 -0.969 779 1HB ALA 103 1HB ALA 103 8.339 6.115 0.878 780 2HB ALA 103 2HB ALA 103 10.081 5.842 0.822 781 3HB ALA 103 3HB ALA 103 9.262 6.599 -0.545 782 H ARG 104 H ARG 104 11.117 3.375 0.271 783 HA ARG 104 HA ARG 104 12.626 3.989 -2.062 784 1HB ARG 104 1HB ARG 104 13.232 1.875 0.009 785 2HB ARG 104 2HB ARG 104 14.369 2.604 -1.114 786 1HG ARG 104 1HG ARG 104 13.939 4.797 0.007 787 2HG ARG 104 2HG ARG 104 13.005 3.918 1.220 788 1HD ARG 104 1HD ARG 104 15.936 3.677 0.593 789 2HD ARG 104 2HD ARG 104 15.185 4.178 2.106 790 HE ARG 104 HE ARG 104 14.830 1.433 1.093 791 1HH1 ARG 104 1HH1 ARG 104 15.884 3.653 3.601 792 2HH1 ARG 104 2HH1 ARG 104 16.241 2.386 4.741 793 1HH2 ARG 104 1HH2 ARG 104 15.308 -0.218 2.575 794 2HH2 ARG 104 2HH2 ARG 104 15.939 0.181 4.146 795 H THR 105 H THR 105 10.956 1.096 -0.900 796 HA THR 105 HA THR 105 11.750 -0.611 -3.002 797 HB THR 105 HB THR 105 9.121 -0.832 -1.543 798 HG1 THR 105 HG1 THR 105 11.708 -1.640 -0.617 799 1HG2 THR 105 1HG2 THR 105 9.554 -3.236 -1.774 800 2HG2 THR 105 2HG2 THR 105 9.537 -2.436 -3.345 801 3HG2 THR 105 3HG2 THR 105 11.072 -2.883 -2.600 802 H TYR 106 H TYR 106 8.949 1.517 -2.558 803 HA TYR 106 HA TYR 106 7.562 0.872 -4.898 804 1HB TYR 106 1HB TYR 106 6.507 2.221 -3.196 805 2HB TYR 106 2HB TYR 106 7.718 3.486 -3.383 806 HD1 TYR 106 HD1 TYR 106 4.953 1.749 -5.170 807 HD2 TYR 106 HD2 TYR 106 7.400 5.224 -4.932 808 HE1 TYR 106 HE1 TYR 106 3.540 2.854 -6.852 809 HE2 TYR 106 HE2 TYR 106 5.992 6.336 -6.611 810 HH TYR 106 HH TYR 106 2.968 5.141 -7.565 811 H ASN 107 H ASN 107 10.143 3.221 -4.324 812 HA ASN 107 HA ASN 107 10.263 4.489 -6.771 813 1HB ASN 107 1HB ASN 107 11.686 5.313 -5.094 814 2HB ASN 107 2HB ASN 107 12.389 3.732 -4.783 815 1HD2 ASN 107 2HD2 ASN 107 12.392 6.514 -6.899 816 2HD2 ASN 107 1HD2 ASN 107 13.895 6.146 -7.683 817 H VAL 108 H VAL 108 11.656 1.359 -5.873 818 HA VAL 108 HA VAL 108 12.946 0.974 -8.399 819 HB VAL 108 HB VAL 108 12.263 -1.105 -6.311 820 1HG1 VAL 108 1HG1 VAL 108 12.827 -2.079 -8.465 821 2HG1 VAL 108 2HG1 VAL 108 14.304 -1.119 -8.535 822 3HG1 VAL 108 3HG1 VAL 108 14.122 -2.369 -7.304 823 1HG2 VAL 108 1HG2 VAL 108 13.573 0.688 -5.323 824 2HG2 VAL 108 2HG2 VAL 108 14.551 -0.771 -5.487 825 3HG2 VAL 108 3HG2 VAL 108 14.758 0.561 -6.623 826 H LEU 109 H LEU 109 10.036 -0.415 -6.878 827 HA LEU 109 HA LEU 109 9.419 -2.146 -9.017 828 1HB LEU 109 1HB LEU 109 7.586 -1.018 -6.903 829 2HB LEU 109 2HB LEU 109 7.225 -2.390 -7.933 830 HG LEU 109 HG LEU 109 9.409 -2.259 -5.852 831 1HD1 LEU 109 1HD1 LEU 109 6.830 -3.818 -5.925 832 2HD1 LEU 109 2HD1 LEU 109 8.070 -3.921 -4.676 833 3HD1 LEU 109 3HD1 LEU 109 7.168 -2.422 -4.900 834 1HD2 LEU 109 1HD2 LEU 109 10.081 -3.631 -7.755 835 2HD2 LEU 109 2HD2 LEU 109 9.748 -4.632 -6.340 836 3HD2 LEU 109 3HD2 LEU 109 8.569 -4.534 -7.648 837 H ALA 110 H ALA 110 8.425 1.168 -8.316 838 HA ALA 110 HA ALA 110 6.416 1.261 -10.345 839 1HB ALA 110 1HB ALA 110 6.376 2.747 -8.393 840 2HB ALA 110 2HB ALA 110 7.837 3.544 -8.980 841 3HB ALA 110 3HB ALA 110 6.340 3.648 -9.908 842 H SER 111 H SER 111 9.859 1.751 -10.306 843 HA SER 111 HA SER 111 9.947 3.225 -12.764 844 1HB SER 111 1HB SER 111 12.134 1.776 -11.253 845 2HB SER 111 2HB SER 111 12.397 2.835 -12.640 846 HG SER 111 HG SER 111 11.768 3.456 -10.005 847 H GLU 112 H GLU 112 9.677 -0.090 -11.930 848 HA GLU 112 HA GLU 112 10.550 -0.966 -14.570 849 1HB GLU 112 1HB GLU 112 11.119 -2.292 -12.526 850 2HB GLU 112 2HB GLU 112 9.405 -2.619 -12.308 851 1HG GLU 112 1HG GLU 112 9.321 -3.818 -14.395 852 2HG GLU 112 2HG GLU 112 10.998 -3.398 -14.740 853 H GLY 113 H GLY 113 7.717 -0.033 -12.924 854 1HA GLY 113 1HA GLY 113 5.625 0.364 -13.864 855 2HA GLY 113 2HA GLY 113 6.130 -0.523 -15.296 856 H ARG 114 H ARG 114 6.150 -1.586 -11.923 857 HA ARG 114 HA ARG 114 4.681 -3.972 -12.680 858 1HB ARG 114 1HB ARG 114 5.914 -3.091 -10.072 859 2HB ARG 114 2HB ARG 114 5.018 -4.588 -10.261 860 1HG ARG 114 1HG ARG 114 6.678 -5.227 -12.040 861 2HG ARG 114 2HG ARG 114 7.629 -3.826 -11.532 862 1HD ARG 114 1HD ARG 114 7.685 -4.710 -9.247 863 2HD ARG 114 2HD ARG 114 6.761 -6.115 -9.772 864 HE ARG 114 HE ARG 114 9.185 -5.753 -11.270 865 1HH1 ARG 114 1HH1 ARG 114 7.764 -7.110 -8.373 866 2HH1 ARG 114 2HH1 ARG 114 9.080 -8.209 -8.077 867 1HH2 ARG 114 1HH2 ARG 114 10.917 -7.196 -10.894 868 2HH2 ARG 114 2HH2 ARG 114 10.872 -8.262 -9.524 869 H ARG 115 H ARG 115 2.938 -4.741 -11.169 870 HA ARG 115 HA ARG 115 1.035 -2.577 -10.721 871 1HB ARG 115 1HB ARG 115 0.729 -5.584 -10.663 872 2HB ARG 115 2HB ARG 115 -0.568 -4.464 -10.261 873 1HG ARG 115 1HG ARG 115 -0.506 -3.532 -12.484 874 2HG ARG 115 2HG ARG 115 0.878 -4.546 -12.898 875 1HD ARG 115 1HD ARG 115 -0.477 -6.544 -12.622 876 2HD ARG 115 2HD ARG 115 -1.856 -5.560 -12.128 877 HE ARG 115 HE ARG 115 -1.916 -4.654 -14.375 878 1HH1 ARG 115 1HH1 ARG 115 0.050 -7.517 -13.912 879 2HH1 ARG 115 2HH1 ARG 115 -0.033 -7.986 -15.582 880 1HH2 ARG 115 1HH2 ARG 115 -2.005 -5.247 -16.556 881 2HH2 ARG 115 2HH2 ARG 115 -1.203 -6.694 -17.099 882 H VAL 116 H VAL 116 2.423 -1.779 -9.005 883 HA VAL 116 HA VAL 116 2.222 -3.310 -6.513 884 HB VAL 116 HB VAL 116 4.506 -2.740 -7.041 885 1HG1 VAL 116 1HG1 VAL 116 3.612 0.137 -7.159 886 2HG1 VAL 116 2HG1 VAL 116 5.279 -0.432 -7.264 887 3HG1 VAL 116 3HG1 VAL 116 4.122 -0.852 -8.528 888 1HG2 VAL 116 1HG2 VAL 116 3.465 -0.963 -4.837 889 2HG2 VAL 116 2HG2 VAL 116 3.883 -2.671 -4.689 890 3HG2 VAL 116 3HG2 VAL 116 5.139 -1.483 -5.040 891 H ALA 117 H ALA 117 0.843 -2.701 -5.032 892 HA ALA 117 HA ALA 117 -0.364 -0.033 -5.211 893 1HB ALA 117 1HB ALA 117 -2.106 -0.918 -3.739 894 2HB ALA 117 2HB ALA 117 -1.919 -1.924 -5.175 895 3HB ALA 117 3HB ALA 117 -1.245 -2.454 -3.634 896 H LEU 118 H LEU 118 0.826 1.402 -4.100 897 HA LEU 118 HA LEU 118 2.133 0.606 -1.635 898 1HB LEU 118 1HB LEU 118 3.279 2.081 -3.255 899 2HB LEU 118 2HB LEU 118 2.039 3.296 -3.010 900 HG LEU 118 HG LEU 118 2.727 3.468 -0.629 901 1HD1 LEU 118 1HD1 LEU 118 3.677 1.243 -0.360 902 2HD1 LEU 118 2HD1 LEU 118 4.970 1.647 -1.489 903 3HD1 LEU 118 3HD1 LEU 118 4.858 2.484 0.060 904 1HD2 LEU 118 1HD2 LEU 118 3.592 5.033 -2.283 905 2HD2 LEU 118 2HD2 LEU 118 4.810 4.678 -1.059 906 3HD2 LEU 118 3HD2 LEU 118 4.917 3.928 -2.652 907 H ALA 119 H ALA 119 0.610 0.285 -0.099 908 HA ALA 119 HA ALA 119 -1.470 2.254 0.359 909 1HB ALA 119 1HB ALA 119 -1.981 -0.126 0.643 910 2HB ALA 119 2HB ALA 119 -0.770 -0.234 1.921 911 3HB ALA 119 3HB ALA 119 -2.207 0.764 2.149 912 H MET 120 H MET 120 -0.554 4.104 1.037 913 HA MET 120 HA MET 120 1.619 3.986 2.985 914 1HB MET 120 1HB MET 120 1.361 5.416 0.708 915 2HB MET 120 2HB MET 120 0.731 6.577 1.867 916 1HG MET 120 1HG MET 120 3.080 6.949 1.495 917 2HG MET 120 2HG MET 120 2.805 6.408 3.150 918 1HE MET 120 1HE MET 120 6.334 4.969 1.845 919 2HE MET 120 2HE MET 120 5.589 6.152 2.919 920 3HE MET 120 3HE MET 120 5.549 6.400 1.174 921 H ILE 121 H ILE 121 0.992 3.991 5.035 922 HA ILE 121 HA ILE 121 -1.289 5.666 5.841 923 HB ILE 121 HB ILE 121 0.137 3.523 7.438 924 1HG1 ILE 121 1HG1 ILE 121 -2.535 3.400 6.018 925 2HG1 ILE 121 2HG1 ILE 121 -1.063 2.594 5.483 926 1HG2 ILE 121 1HG2 ILE 121 -0.910 5.224 8.832 927 2HG2 ILE 121 2HG2 ILE 121 -2.434 5.012 7.970 928 3HG2 ILE 121 3HG2 ILE 121 -1.786 3.699 8.952 929 1HD1 ILE 121 1HD1 ILE 121 -2.569 1.052 6.608 930 2HD1 ILE 121 2HD1 ILE 121 -1.063 1.237 7.507 931 3HD1 ILE 121 3HD1 ILE 121 -2.526 2.053 8.060 932 H VAL 122 H VAL 122 -0.822 7.584 6.741 933 HA VAL 122 HA VAL 122 1.681 7.810 8.272 934 HB VAL 122 HB VAL 122 1.779 10.229 7.489 935 1HG1 VAL 122 1HG1 VAL 122 3.338 8.523 6.721 936 2HG1 VAL 122 2HG1 VAL 122 2.206 8.039 5.460 937 3HG1 VAL 122 3HG1 VAL 122 2.942 9.642 5.416 938 1HG2 VAL 122 1HG2 VAL 122 0.747 10.717 5.319 939 2HG2 VAL 122 2HG2 VAL 122 -0.078 9.159 5.363 940 3HG2 VAL 122 3HG2 VAL 122 -0.468 10.399 6.557 941 H GLY 123 H GLY 123 1.168 8.083 10.311 942 1HA GLY 123 1HA GLY 123 0.421 9.778 11.927 943 2HA GLY 123 2HA GLY 123 -1.043 9.925 10.964 944 H GLY 124 H GLY 124 -1.571 9.538 13.485 945 1HA GLY 124 1HA GLY 124 -3.385 7.947 14.069 946 2HA GLY 124 2HA GLY 124 -2.263 6.668 13.633 947 H LEU 125 H LEU 125 -0.304 6.461 14.951 948 HA LEU 125 HA LEU 125 -0.947 7.057 17.761 949 1HB LEU 125 1HB LEU 125 0.680 4.822 16.546 950 2HB LEU 125 2HB LEU 125 0.584 5.126 18.267 951 HG LEU 125 HG LEU 125 -1.959 4.821 17.992 952 1HD1 LEU 125 1HD1 LEU 125 -2.644 3.386 16.145 953 2HD1 LEU 125 2HD1 LEU 125 -2.035 4.933 15.559 954 3HD1 LEU 125 3HD1 LEU 125 -1.025 3.490 15.455 955 1HD2 LEU 125 1HD2 LEU 125 -0.097 2.482 17.615 956 2HD2 LEU 125 2HD2 LEU 125 -0.514 3.243 19.150 957 3HD2 LEU 125 3HD2 LEU 125 -1.751 2.400 18.219 958 H GLU 126 H GLU 126 0.390 8.896 15.991 959 HA GLU 126 HA GLU 126 3.115 8.897 17.102 960 1HB GLU 126 1HB GLU 126 3.398 10.635 15.133 961 2HB GLU 126 2HB GLU 126 3.504 8.904 14.848 962 1HG GLU 126 1HG GLU 126 2.172 10.070 13.152 963 2HG GLU 126 2HG GLU 126 1.245 8.851 14.022 964 H HIS 127 H HIS 127 0.245 10.191 17.765 965 HA HIS 127 HA HIS 127 1.102 12.937 18.130 966 1HB HIS 127 1HB HIS 127 -1.169 13.337 18.990 967 2HB HIS 127 2HB HIS 127 -1.193 12.569 17.410 968 HD1 HIS 127 HD1 HIS 127 -2.543 10.487 17.197 969 HD2 HIS 127 HD2 HIS 127 -1.808 11.496 21.161 970 HE1 HIS 127 HE1 HIS 127 -3.926 8.896 18.569 971 HE2 HIS 127 HE2 HIS 127 -3.609 9.652 20.956 972 H HIS 128 H HIS 128 0.760 13.998 20.238 973 HA HIS 128 HA HIS 128 1.363 12.241 22.518 974 1HB HIS 128 1HB HIS 128 3.493 13.089 21.567 975 2HB HIS 128 2HB HIS 128 2.914 14.736 21.770 976 HD1 HIS 128 HD1 HIS 128 3.892 15.822 23.726 977 HD2 HIS 128 HD2 HIS 128 3.474 11.723 24.304 978 HE1 HIS 128 HE1 HIS 128 4.835 15.357 26.012 979 HE2 HIS 128 HE2 HIS 128 4.777 12.849 26.240 980 H HIS 129 H HIS 129 0.075 12.719 24.195 981 HA HIS 129 HA HIS 129 -1.767 14.906 23.986 982 1HB HIS 129 1HB HIS 129 -2.267 12.628 24.993 983 2HB HIS 129 2HB HIS 129 -1.338 13.135 26.397 984 HD1 HIS 129 HD1 HIS 129 -4.596 12.579 25.847 985 HD2 HIS 129 HD2 HIS 129 -2.625 16.094 26.895 986 HE1 HIS 129 HE1 HIS 129 -6.335 14.045 26.927 987 HE2 HIS 129 HE2 HIS 129 -5.085 16.090 27.703 988 H HIS 130 H HIS 130 0.561 14.034 26.544 989 HA HIS 130 HA HIS 130 1.683 15.247 28.084 990 1HB HIS 130 1HB HIS 130 2.680 16.351 26.110 991 2HB HIS 130 2HB HIS 130 1.387 17.544 26.139 992 HD1 HIS 130 HD1 HIS 130 4.235 16.331 28.352 993 HD2 HIS 130 HD2 HIS 130 1.917 19.725 27.686 994 HE1 HIS 130 HE1 HIS 130 5.239 18.137 29.792 995 HE2 HIS 130 HE2 HIS 130 3.733 20.136 29.486 996 H HIS 131 H HIS 131 0.362 15.254 29.783 997 HA HIS 131 HA HIS 131 -1.996 16.880 29.926 998 1HB HIS 131 1HB HIS 131 -1.707 14.668 31.086 999 2HB HIS 131 2HB HIS 131 -0.567 15.446 32.176 1000 HD1 HIS 131 HD1 HIS 131 -4.202 15.145 31.421 1001 HD2 HIS 131 HD2 HIS 131 -1.736 17.143 34.113 1002 HE1 HIS 131 HE1 HIS 131 -5.727 16.023 33.218 1003 HE2 HIS 131 HE2 HIS 131 -4.234 17.302 34.789 1004 H HIS 132 H HIS 132 -2.152 18.922 30.576 1005 HA HIS 132 HA HIS 132 -0.206 19.954 32.497 1006 1HB HIS 132 1HB HIS 132 0.502 20.755 30.255 1007 2HB HIS 132 2HB HIS 132 -1.092 21.464 30.021 1008 HD1 HIS 132 HD1 HIS 132 -1.411 23.800 30.843 1009 HD2 HIS 132 HD2 HIS 132 2.003 22.026 32.412 1010 HE1 HIS 132 HE1 HIS 132 -0.219 25.624 32.094 1011 HE2 HIS 132 HE2 HIS 132 1.789 24.504 33.134 Start of MODEL 5 1 1H MET 1 1HT MET 1 -0.967 28.186 -24.164 2 2H MET 1 2HT MET 1 -1.618 28.823 -22.734 3 3H MET 1 3HT MET 1 -2.650 28.232 -23.942 4 HA MET 1 HA MET 1 -1.779 26.004 -23.626 5 1HB MET 1 1HB MET 1 0.447 26.614 -22.829 6 2HB MET 1 2HB MET 1 -0.244 27.324 -21.378 7 1HG MET 1 1HG MET 1 -1.037 25.130 -20.670 8 2HG MET 1 2HG MET 1 -0.357 24.412 -22.127 9 1HE MET 1 1HE MET 1 0.234 23.441 -19.118 10 2HE MET 1 2HE MET 1 1.964 23.118 -19.219 11 3HE MET 1 3HE MET 1 0.901 22.646 -20.545 12 HA PRO 2 HA PRO 2 -5.259 26.332 -20.752 13 1HB PRO 2 1HB PRO 2 -6.844 24.554 -21.979 14 2HB PRO 2 2HB PRO 2 -6.634 26.190 -22.610 15 1HG PRO 2 1HG PRO 2 -5.481 23.626 -23.577 16 2HG PRO 2 2HG PRO 2 -5.967 25.060 -24.496 17 1HD PRO 2 1HD PRO 2 -3.347 24.374 -23.718 18 2HD PRO 2 2HD PRO 2 -3.879 25.935 -24.368 19 H LEU 3 H LEU 3 -5.904 24.972 -19.071 20 HA LEU 3 HA LEU 3 -4.324 22.523 -18.802 21 1HB LEU 3 1HB LEU 3 -5.963 24.027 -16.762 22 2HB LEU 3 2HB LEU 3 -5.025 22.584 -16.432 23 HG LEU 3 HG LEU 3 -3.917 25.261 -17.288 24 1HD1 LEU 3 1HD1 LEU 3 -2.939 25.292 -15.041 25 2HD1 LEU 3 2HD1 LEU 3 -4.701 25.262 -14.991 26 3HD1 LEU 3 3HD1 LEU 3 -3.785 23.793 -14.658 27 1HD2 LEU 3 1HD2 LEU 3 -2.481 22.705 -16.577 28 2HD2 LEU 3 2HD2 LEU 3 -2.601 23.408 -18.190 29 3HD2 LEU 3 3HD2 LEU 3 -1.723 24.260 -16.919 30 H ASN 4 H ASN 4 -7.548 23.342 -17.579 31 HA ASN 4 HA ASN 4 -9.577 22.350 -17.750 32 1HB ASN 4 1HB ASN 4 -8.349 20.914 -20.110 33 2HB ASN 4 2HB ASN 4 -10.037 20.768 -19.637 34 1HD2 ASN 4 2HD2 ASN 4 -10.220 23.576 -18.826 35 2HD2 ASN 4 1HD2 ASN 4 -10.275 24.493 -20.294 36 H GLN 5 H GLN 5 -7.218 19.772 -18.502 37 HA GLN 5 HA GLN 5 -8.527 17.973 -16.641 38 1HB GLN 5 1HB GLN 5 -6.035 17.659 -18.329 39 2HB GLN 5 2HB GLN 5 -6.739 16.383 -17.345 40 1HG GLN 5 1HG GLN 5 -8.779 16.475 -18.683 41 2HG GLN 5 2HG GLN 5 -8.075 17.758 -19.666 42 1HE2 GLN 5 2HE2 GLN 5 -6.418 17.268 -21.099 43 2HE2 GLN 5 1HE2 GLN 5 -6.074 15.640 -21.595 44 H GLU 6 H GLU 6 -7.681 20.230 -15.386 45 HA GLU 6 HA GLU 6 -5.072 19.815 -14.175 46 1HB GLU 6 1HB GLU 6 -5.590 21.992 -13.063 47 2HB GLU 6 2HB GLU 6 -5.646 22.065 -14.820 48 1HG GLU 6 1HG GLU 6 -8.134 21.762 -14.648 49 2HG GLU 6 2HG GLU 6 -7.963 21.983 -12.908 50 H HIS 7 H HIS 7 -7.416 18.022 -13.680 51 HA HIS 7 HA HIS 7 -8.248 18.496 -10.986 52 1HB HIS 7 1HB HIS 7 -9.665 17.275 -12.598 53 2HB HIS 7 2HB HIS 7 -8.483 15.972 -12.634 54 HD1 HIS 7 HD1 HIS 7 -10.094 17.796 -9.696 55 HD2 HIS 7 HD2 HIS 7 -9.571 13.956 -11.211 56 HE1 HIS 7 HE1 HIS 7 -11.141 16.251 -8.009 57 HE2 HIS 7 HE2 HIS 7 -11.037 13.970 -9.078 58 HA PRO 8 HA PRO 8 -4.914 15.291 -9.839 59 1HB PRO 8 1HB PRO 8 -3.339 14.515 -12.112 60 2HB PRO 8 2HB PRO 8 -4.405 13.506 -11.133 61 1HG PRO 8 1HG PRO 8 -4.870 14.156 -13.765 62 2HG PRO 8 2HG PRO 8 -6.129 13.682 -12.612 63 1HD PRO 8 1HD PRO 8 -5.330 16.418 -13.531 64 2HD PRO 8 2HD PRO 8 -6.952 15.758 -13.226 65 H ASP 9 H ASP 9 -2.477 15.328 -9.638 66 HA ASP 9 HA ASP 9 -1.563 18.052 -9.925 67 1HB ASP 9 1HB ASP 9 -0.318 15.597 -8.681 68 2HB ASP 9 2HB ASP 9 0.511 17.146 -8.770 69 H TYR 10 H TYR 10 0.836 18.284 -10.501 70 HA TYR 10 HA TYR 10 1.220 17.524 -13.217 71 1HB TYR 10 1HB TYR 10 3.617 18.547 -12.537 72 2HB TYR 10 2HB TYR 10 2.215 19.554 -12.890 73 HD1 TYR 10 HD1 TYR 10 4.345 18.206 -10.200 74 HD2 TYR 10 HD2 TYR 10 1.109 20.796 -11.161 75 HE1 TYR 10 HE1 TYR 10 4.479 19.199 -7.953 76 HE2 TYR 10 HE2 TYR 10 1.234 21.798 -8.921 77 HH TYR 10 HH TYR 10 3.826 21.406 -6.855 78 H THR 11 H THR 11 1.206 15.252 -13.150 79 HA THR 11 HA THR 11 2.128 13.171 -13.132 80 HB THR 11 HB THR 11 4.740 14.391 -12.204 81 HG1 THR 11 HG1 THR 11 4.263 15.567 -14.013 82 1HG2 THR 11 1HG2 THR 11 4.625 11.932 -12.245 83 2HG2 THR 11 2HG2 THR 11 4.131 11.988 -13.936 84 3HG2 THR 11 3HG2 THR 11 5.738 12.546 -13.468 85 H TYR 12 H TYR 12 3.279 11.591 -11.451 86 HA TYR 12 HA TYR 12 2.942 12.569 -8.719 87 1HB TYR 12 1HB TYR 12 1.498 10.219 -9.916 88 2HB TYR 12 2HB TYR 12 1.851 10.276 -8.191 89 HD1 TYR 12 HD1 TYR 12 0.905 12.128 -6.807 90 HD2 TYR 12 HD2 TYR 12 -0.282 11.508 -10.846 91 HE1 TYR 12 HE1 TYR 12 -1.081 13.524 -6.431 92 HE2 TYR 12 HE2 TYR 12 -2.273 12.905 -10.478 93 HH TYR 12 HH TYR 12 -2.659 14.851 -7.665 94 H ALA 13 H ALA 13 4.941 12.425 -8.015 95 HA ALA 13 HA ALA 13 6.268 9.805 -8.193 96 1HB ALA 13 1HB ALA 13 8.424 10.924 -8.394 97 2HB ALA 13 2HB ALA 13 7.355 11.382 -9.720 98 3HB ALA 13 3HB ALA 13 7.623 12.496 -8.379 99 H LEU 14 H LEU 14 7.294 9.099 -6.361 100 HA LEU 14 HA LEU 14 6.534 10.390 -3.895 101 1HB LEU 14 1HB LEU 14 6.415 7.938 -4.158 102 2HB LEU 14 2HB LEU 14 8.153 7.884 -4.379 103 HG LEU 14 HG LEU 14 8.453 8.735 -2.073 104 1HD1 LEU 14 1HD1 LEU 14 6.352 9.949 -1.849 105 2HD1 LEU 14 2HD1 LEU 14 5.459 8.428 -1.899 106 3HD1 LEU 14 3HD1 LEU 14 6.543 8.772 -0.550 107 1HD2 LEU 14 1HD2 LEU 14 7.794 6.676 -0.942 108 2HD2 LEU 14 2HD2 LEU 14 6.739 6.263 -2.294 109 3HD2 LEU 14 3HD2 LEU 14 8.486 6.336 -2.528 110 H ARG 15 H ARG 15 7.722 11.864 -2.920 111 HA ARG 15 HA ARG 15 10.410 12.416 -3.814 112 1HB ARG 15 1HB ARG 15 8.569 13.725 -1.819 113 2HB ARG 15 2HB ARG 15 10.220 14.272 -2.084 114 1HG ARG 15 1HG ARG 15 8.291 14.022 -4.356 115 2HG ARG 15 2HG ARG 15 8.324 15.458 -3.329 116 1HD ARG 15 1HD ARG 15 10.709 14.341 -4.802 117 2HD ARG 15 2HD ARG 15 9.708 15.674 -5.379 118 HE ARG 15 HE ARG 15 10.416 16.560 -2.959 119 1HH1 ARG 15 1HH1 ARG 15 12.334 15.118 -5.513 120 2HH1 ARG 15 2HH1 ARG 15 13.776 16.001 -5.101 121 1HH2 ARG 15 1HH2 ARG 15 12.300 17.733 -2.433 122 2HH2 ARG 15 2HH2 ARG 15 13.758 17.478 -3.345 123 H ALA 16 H ALA 16 9.018 12.011 -0.565 124 HA ALA 16 HA ALA 16 11.121 10.207 0.209 125 1HB ALA 16 1HB ALA 16 12.259 12.360 0.441 126 2HB ALA 16 2HB ALA 16 10.969 12.930 1.499 127 3HB ALA 16 3HB ALA 16 12.005 11.596 2.009 128 H ALA 17 H ALA 17 10.861 9.530 2.483 129 HA ALA 17 HA ALA 17 8.049 9.717 3.325 130 1HB ALA 17 1HB ALA 17 8.217 7.408 4.098 131 2HB ALA 17 2HB ALA 17 8.558 7.526 2.372 132 3HB ALA 17 3HB ALA 17 9.882 7.332 3.520 133 H ASP 18 H ASP 18 7.674 10.173 5.417 134 HA ASP 18 HA ASP 18 10.035 10.534 7.146 135 1HB ASP 18 1HB ASP 18 9.105 12.670 6.735 136 2HB ASP 18 2HB ASP 18 7.459 12.081 6.932 137 H GLY 19 H GLY 19 6.757 9.326 6.955 138 1HA GLY 19 1HA GLY 19 6.282 7.349 8.375 139 2HA GLY 19 2HA GLY 19 7.051 8.235 9.688 140 H ARG 20 H ARG 20 6.049 10.576 9.862 141 HA ARG 20 HA ARG 20 3.128 10.232 9.907 142 1HB ARG 20 1HB ARG 20 3.053 11.881 11.660 143 2HB ARG 20 2HB ARG 20 4.261 10.678 12.087 144 1HG ARG 20 1HG ARG 20 5.897 12.391 10.957 145 2HG ARG 20 2HG ARG 20 4.602 13.532 11.331 146 1HD ARG 20 1HD ARG 20 6.050 13.581 13.192 147 2HD ARG 20 2HD ARG 20 4.667 12.606 13.692 148 HE ARG 20 HE ARG 20 6.959 11.169 12.606 149 1HH1 ARG 20 1HH1 ARG 20 5.201 12.205 15.462 150 2HH1 ARG 20 2HH1 ARG 20 5.982 11.045 16.505 151 1HH2 ARG 20 1HH2 ARG 20 7.975 9.668 13.977 152 2HH2 ARG 20 2HH2 ARG 20 7.551 9.600 15.665 153 H HIS 21 H HIS 21 5.373 11.337 7.953 154 HA HIS 21 HA HIS 21 3.550 13.301 6.761 155 1HB HIS 21 1HB HIS 21 6.558 13.631 6.918 156 2HB HIS 21 2HB HIS 21 5.466 14.671 6.018 157 HD1 HIS 21 HD1 HIS 21 6.777 14.003 9.426 158 HD2 HIS 21 HD2 HIS 21 3.932 16.447 7.618 159 HE1 HIS 21 HE1 HIS 21 6.221 15.777 11.126 160 HE2 HIS 21 HE2 HIS 21 4.458 17.216 10.037 161 H ALA 22 H ALA 22 3.367 13.100 4.562 162 HA ALA 22 HA ALA 22 5.267 11.356 3.164 163 1HB ALA 22 1HB ALA 22 2.263 11.201 2.903 164 2HB ALA 22 2HB ALA 22 3.425 10.314 1.917 165 3HB ALA 22 3HB ALA 22 3.307 9.990 3.647 166 H LYS 23 H LYS 23 6.093 12.384 1.452 167 HA LYS 23 HA LYS 23 4.627 14.734 0.466 168 1HB LYS 23 1HB LYS 23 7.594 14.160 0.422 169 2HB LYS 23 2HB LYS 23 6.835 15.582 -0.281 170 1HG LYS 23 1HG LYS 23 5.988 16.179 1.975 171 2HG LYS 23 2HG LYS 23 6.900 14.820 2.631 172 1HD LYS 23 1HD LYS 23 8.980 15.809 1.841 173 2HD LYS 23 2HD LYS 23 8.085 17.148 1.117 174 1HE LYS 23 1HE LYS 23 7.234 17.723 3.382 175 2HE LYS 23 2HE LYS 23 8.276 16.469 4.049 176 1HZ LYS 23 1HZ LYS 23 9.220 18.829 2.505 177 2HZ LYS 23 2HZ LYS 23 9.263 18.688 4.196 178 3HZ LYS 23 3HZ LYS 23 10.200 17.652 3.236 179 H VAL 24 H VAL 24 3.515 14.173 -1.277 180 HA VAL 24 HA VAL 24 4.858 12.627 -3.388 181 HB VAL 24 HB VAL 24 1.941 13.420 -3.207 182 1HG1 VAL 24 1HG1 VAL 24 2.676 13.052 -5.489 183 2HG1 VAL 24 2HG1 VAL 24 3.371 11.495 -5.036 184 3HG1 VAL 24 3HG1 VAL 24 1.626 11.734 -4.968 185 1HG2 VAL 24 1HG2 VAL 24 3.251 10.782 -2.555 186 2HG2 VAL 24 2HG2 VAL 24 2.508 11.891 -1.403 187 3HG2 VAL 24 3HG2 VAL 24 1.513 11.077 -2.612 188 H ASN 25 H ASN 25 5.682 13.700 -5.065 189 HA ASN 25 HA ASN 25 6.345 15.406 -6.406 190 1HB ASN 25 1HB ASN 25 3.568 16.486 -5.876 191 2HB ASN 25 2HB ASN 25 4.684 17.130 -7.075 192 1HD2 ASN 25 2HD2 ASN 25 2.046 16.001 -7.434 193 2HD2 ASN 25 1HD2 ASN 25 2.235 14.685 -8.543 194 H GLU 26 H GLU 26 4.286 17.524 -4.482 195 HA GLU 26 HA GLU 26 6.502 18.145 -2.703 196 1HB GLU 26 1HB GLU 26 6.366 20.540 -3.035 197 2HB GLU 26 2HB GLU 26 6.731 19.756 -4.565 198 1HG GLU 26 1HG GLU 26 4.483 20.044 -5.322 199 2HG GLU 26 2HG GLU 26 3.979 20.640 -3.741 200 H GLN 27 H GLN 27 3.543 17.118 -2.904 201 HA GLN 27 HA GLN 27 2.289 18.983 -1.022 202 1HB GLN 27 1HB GLN 27 1.096 18.375 -3.144 203 2HB GLN 27 2HB GLN 27 1.029 16.713 -2.577 204 1HG GLN 27 1HG GLN 27 -1.071 17.701 -2.130 205 2HG GLN 27 2HG GLN 27 -0.237 17.527 -0.589 206 1HE2 GLN 27 2HE2 GLN 27 0.500 20.004 -2.953 207 2HE2 GLN 27 1HE2 GLN 27 -0.080 21.340 -2.010 208 H ILE 28 H ILE 28 2.201 18.447 1.057 209 HA ILE 28 HA ILE 28 2.981 15.792 1.905 210 HB ILE 28 HB ILE 28 2.154 18.149 3.608 211 1HG1 ILE 28 1HG1 ILE 28 4.931 17.225 2.826 212 2HG1 ILE 28 2HG1 ILE 28 4.117 18.640 2.167 213 1HG2 ILE 28 1HG2 ILE 28 3.649 15.617 4.293 214 2HG2 ILE 28 2HG2 ILE 28 3.349 16.960 5.397 215 3HG2 ILE 28 3HG2 ILE 28 1.999 16.014 4.769 216 1HD1 ILE 28 1HD1 ILE 28 5.726 19.263 3.868 217 2HD1 ILE 28 2HD1 ILE 28 4.085 19.651 4.386 218 3HD1 ILE 28 3HD1 ILE 28 4.904 18.234 5.042 219 H LEU 29 H LEU 29 1.456 14.283 1.732 220 HA LEU 29 HA LEU 29 -1.318 14.964 2.389 221 1HB LEU 29 1HB LEU 29 -0.167 12.490 1.091 222 2HB LEU 29 2HB LEU 29 -1.872 12.785 1.370 223 HG LEU 29 HG LEU 29 -0.096 14.429 -0.439 224 1HD1 LEU 29 1HD1 LEU 29 -1.389 13.417 -2.255 225 2HD1 LEU 29 2HD1 LEU 29 -0.497 12.203 -1.337 226 3HD1 LEU 29 3HD1 LEU 29 -2.231 12.399 -1.086 227 1HD2 LEU 29 1HD2 LEU 29 -3.078 14.533 0.017 228 2HD2 LEU 29 2HD2 LEU 29 -1.908 15.731 0.571 229 3HD2 LEU 29 3HD2 LEU 29 -2.171 15.488 -1.156 230 H GLN 30 H GLN 30 -1.468 14.912 4.573 231 HA GLN 30 HA GLN 30 -0.443 12.580 6.000 232 1HB GLN 30 1HB GLN 30 -1.615 15.178 6.997 233 2HB GLN 30 2HB GLN 30 -1.129 13.854 8.047 234 1HG GLN 30 1HG GLN 30 1.170 14.049 7.146 235 2HG GLN 30 2HG GLN 30 0.649 15.461 6.229 236 1HE2 GLN 30 2HE2 GLN 30 -0.558 14.748 9.415 237 2HE2 GLN 30 1HE2 GLN 30 0.252 16.045 10.232 238 H GLN 31 H GLN 31 -2.238 11.582 4.527 239 HA GLN 31 HA GLN 31 -4.608 11.232 6.236 240 1HB GLN 31 1HB GLN 31 -4.624 11.273 3.209 241 2HB GLN 31 2HB GLN 31 -6.004 10.949 4.239 242 1HG GLN 31 1HG GLN 31 -5.787 13.265 5.133 243 2HG GLN 31 2HG GLN 31 -4.540 13.551 3.914 244 1HE2 GLN 31 2HE2 GLN 31 -5.124 13.520 1.717 245 2HE2 GLN 31 1HE2 GLN 31 -6.766 13.728 1.199 246 H SER 32 H SER 32 -5.828 9.216 4.992 247 HA SER 32 HA SER 32 -3.795 7.139 4.591 248 1HB SER 32 1HB SER 32 -5.558 6.791 6.389 249 2HB SER 32 2HB SER 32 -6.754 6.732 5.092 250 HG SER 32 HG SER 32 -5.390 4.738 5.994 251 H PHE 33 H PHE 33 -3.398 6.726 2.511 252 HA PHE 33 HA PHE 33 -5.549 6.953 0.557 253 1HB PHE 33 1HB PHE 33 -4.259 8.473 -0.880 254 2HB PHE 33 2HB PHE 33 -4.624 9.215 0.671 255 HD1 PHE 33 HD1 PHE 33 -2.851 9.584 2.319 256 HD2 PHE 33 HD2 PHE 33 -2.007 7.982 -1.532 257 HE1 PHE 33 HE1 PHE 33 -0.467 10.097 2.633 258 HE2 PHE 33 HE2 PHE 33 0.381 8.489 -1.222 259 HZ PHE 33 HZ PHE 33 1.153 9.547 0.861 260 H ILE 34 H ILE 34 -4.879 6.236 -1.603 261 HA ILE 34 HA ILE 34 -2.752 4.198 -1.448 262 HB ILE 34 HB ILE 34 -5.195 4.154 -3.233 263 1HG1 ILE 34 1HG1 ILE 34 -4.607 2.479 -0.781 264 2HG1 ILE 34 2HG1 ILE 34 -5.718 3.846 -0.812 265 1HG2 ILE 34 1HG2 ILE 34 -4.509 1.856 -3.729 266 2HG2 ILE 34 2HG2 ILE 34 -3.266 3.017 -4.194 267 3HG2 ILE 34 3HG2 ILE 34 -3.078 2.066 -2.720 268 1HD1 ILE 34 1HD1 ILE 34 -6.891 1.720 -0.958 269 2HD1 ILE 34 2HD1 ILE 34 -7.118 2.681 -2.420 270 3HD1 ILE 34 3HD1 ILE 34 -5.997 1.320 -2.424 271 H LEU 35 H LEU 35 -1.034 4.695 -2.625 272 HA LEU 35 HA LEU 35 -1.359 6.596 -4.841 273 1HB LEU 35 1HB LEU 35 0.133 7.335 -3.055 274 2HB LEU 35 2HB LEU 35 1.087 5.873 -3.225 275 HG LEU 35 HG LEU 35 1.727 6.584 -5.510 276 1HD1 LEU 35 1HD1 LEU 35 1.293 8.889 -6.209 277 2HD1 LEU 35 2HD1 LEU 35 -0.203 7.974 -6.029 278 3HD1 LEU 35 3HD1 LEU 35 0.279 9.128 -4.786 279 1HD2 LEU 35 1HD2 LEU 35 3.254 8.361 -4.813 280 2HD2 LEU 35 2HD2 LEU 35 2.323 8.581 -3.332 281 3HD2 LEU 35 3HD2 LEU 35 3.180 7.066 -3.618 282 H MET 36 H MET 36 -1.384 5.735 -6.775 283 HA MET 36 HA MET 36 0.106 3.259 -7.304 284 1HB MET 36 1HB MET 36 -1.879 4.671 -9.104 285 2HB MET 36 2HB MET 36 -1.250 3.042 -9.294 286 1HG MET 36 1HG MET 36 -3.022 3.966 -7.042 287 2HG MET 36 2HG MET 36 -3.562 3.088 -8.471 288 1HE MET 36 1HE MET 36 -2.941 0.585 -8.998 289 2HE MET 36 2HE MET 36 -1.846 -0.386 -8.015 290 3HE MET 36 3HE MET 36 -1.226 0.990 -8.928 291 HA PRO 37 HA PRO 37 3.118 5.493 -9.725 292 1HB PRO 37 1HB PRO 37 2.997 3.532 -11.896 293 2HB PRO 37 2HB PRO 37 4.304 3.856 -10.757 294 1HG PRO 37 1HG PRO 37 2.852 1.589 -10.661 295 2HG PRO 37 2HG PRO 37 3.497 2.360 -9.200 296 1HD PRO 37 1HD PRO 37 0.720 2.462 -10.327 297 2HD PRO 37 2HD PRO 37 1.244 2.258 -8.640 298 H ASP 38 H ASP 38 0.374 6.272 -10.194 299 HA ASP 38 HA ASP 38 0.496 7.900 -12.425 300 1HB ASP 38 1HB ASP 38 0.460 5.935 -13.852 301 2HB ASP 38 2HB ASP 38 -0.920 5.277 -12.979 302 H GLU 39 H GLU 39 -1.684 5.755 -10.672 303 HA GLU 39 HA GLU 39 -3.784 7.793 -10.733 304 1HB GLU 39 1HB GLU 39 -4.213 5.477 -11.591 305 2HB GLU 39 2HB GLU 39 -3.960 4.877 -9.960 306 1HG GLU 39 1HG GLU 39 -5.894 6.002 -9.164 307 2HG GLU 39 2HG GLU 39 -6.078 6.880 -10.684 308 H LEU 40 H LEU 40 -5.006 8.199 -8.745 309 HA LEU 40 HA LEU 40 -3.546 7.559 -6.287 310 1HB LEU 40 1HB LEU 40 -2.738 9.741 -6.983 311 2HB LEU 40 2HB LEU 40 -4.381 10.324 -7.162 312 HG LEU 40 HG LEU 40 -4.708 10.047 -4.713 313 1HD1 LEU 40 1HD1 LEU 40 -3.035 8.327 -4.305 314 2HD1 LEU 40 2HD1 LEU 40 -1.750 9.464 -4.713 315 3HD1 LEU 40 3HD1 LEU 40 -2.749 9.738 -3.285 316 1HD2 LEU 40 1HD2 LEU 40 -3.365 11.986 -4.067 317 2HD2 LEU 40 2HD2 LEU 40 -2.403 11.808 -5.535 318 3HD2 LEU 40 3HD2 LEU 40 -4.117 12.213 -5.645 319 H VAL 41 H VAL 41 -4.866 6.862 -4.750 320 HA VAL 41 HA VAL 41 -7.723 7.543 -4.865 321 HB VAL 41 HB VAL 41 -6.303 5.561 -3.065 322 1HG1 VAL 41 1HG1 VAL 41 -8.559 4.717 -2.588 323 2HG1 VAL 41 2HG1 VAL 41 -8.362 6.397 -2.084 324 3HG1 VAL 41 3HG1 VAL 41 -9.242 6.017 -3.564 325 1HG2 VAL 41 1HG2 VAL 41 -7.278 3.826 -4.494 326 2HG2 VAL 41 2HG2 VAL 41 -7.924 5.073 -5.562 327 3HG2 VAL 41 3HG2 VAL 41 -6.180 4.868 -5.397 328 H GLU 42 H GLU 42 -8.250 9.339 -3.795 329 HA GLU 42 HA GLU 42 -6.320 10.523 -2.002 330 1HB GLU 42 1HB GLU 42 -7.722 11.648 -3.884 331 2HB GLU 42 2HB GLU 42 -8.995 11.708 -2.674 332 1HG GLU 42 1HG GLU 42 -6.415 12.735 -1.754 333 2HG GLU 42 2HG GLU 42 -7.120 13.633 -3.095 334 H HIS 43 H HIS 43 -9.284 8.770 -1.723 335 HA HIS 43 HA HIS 43 -9.252 9.305 1.173 336 1HB HIS 43 1HB HIS 43 -11.675 9.124 -0.616 337 2HB HIS 43 2HB HIS 43 -11.761 8.988 1.135 338 HD1 HIS 43 HD1 HIS 43 -9.434 11.390 1.281 339 HD2 HIS 43 HD2 HIS 43 -13.240 11.479 -0.389 340 HE1 HIS 43 HE1 HIS 43 -10.124 13.804 1.300 341 HE2 HIS 43 HE2 HIS 43 -12.328 13.852 0.088 342 H TRP 44 H TRP 44 -8.391 7.467 1.941 343 HA TRP 44 HA TRP 44 -9.876 4.992 1.342 344 1HB TRP 44 1HB TRP 44 -7.415 5.025 0.702 345 2HB TRP 44 2HB TRP 44 -7.051 5.147 2.419 346 HD1 TRP 44 HD1 TRP 44 -9.651 2.802 0.747 347 HE1 TRP 44 HE1 TRP 44 -9.042 0.374 1.358 348 HE3 TRP 44 HE3 TRP 44 -5.299 3.676 3.285 349 HZ2 TRP 44 HZ2 TRP 44 -6.977 -0.984 2.724 350 HZ3 TRP 44 HZ3 TRP 44 -4.065 1.758 4.208 351 HH2 TRP 44 HH2 TRP 44 -4.889 -0.523 3.933 352 HA PRO 45 HA PRO 45 -11.317 5.830 5.454 353 1HB PRO 45 1HB PRO 45 -12.785 3.313 5.262 354 2HB PRO 45 2HB PRO 45 -13.401 4.966 5.298 355 1HG PRO 45 1HG PRO 45 -13.514 3.426 3.083 356 2HG PRO 45 2HG PRO 45 -13.315 5.187 3.009 357 1HD PRO 45 1HD PRO 45 -11.244 3.034 2.738 358 2HD PRO 45 2HD PRO 45 -11.461 4.516 1.779 359 H VAL 46 H VAL 46 -8.748 4.606 5.486 360 HA VAL 46 HA VAL 46 -9.139 2.910 7.863 361 HB VAL 46 HB VAL 46 -6.949 2.471 5.820 362 1HG1 VAL 46 1HG1 VAL 46 -6.456 0.452 7.129 363 2HG1 VAL 46 2HG1 VAL 46 -6.244 1.923 8.080 364 3HG1 VAL 46 3HG1 VAL 46 -7.681 0.927 8.306 365 1HG2 VAL 46 1HG2 VAL 46 -9.091 1.746 4.932 366 2HG2 VAL 46 2HG2 VAL 46 -8.089 0.351 5.328 367 3HG2 VAL 46 3HG2 VAL 46 -9.408 0.823 6.400 368 HA PRO 47 HA PRO 47 -6.516 6.585 8.827 369 1HB PRO 47 1HB PRO 47 -8.054 6.801 11.276 370 2HB PRO 47 2HB PRO 47 -7.948 7.941 9.935 371 1HG PRO 47 1HG PRO 47 -10.202 6.527 10.525 372 2HG PRO 47 2HG PRO 47 -9.797 7.081 8.891 373 1HD PRO 47 1HD PRO 47 -9.455 4.367 10.112 374 2HD PRO 47 2HD PRO 47 -10.010 4.809 8.482 375 H SER 48 H SER 48 -7.211 3.649 10.410 376 HA SER 48 HA SER 48 -4.632 3.680 11.720 377 1HB SER 48 1HB SER 48 -7.174 3.215 13.314 378 2HB SER 48 2HB SER 48 -5.528 3.037 13.922 379 HG SER 48 HG SER 48 -5.677 5.438 12.851 380 H LEU 49 H LEU 49 -4.044 1.495 12.502 381 HA LEU 49 HA LEU 49 -4.586 -0.421 10.520 382 1HB LEU 49 1HB LEU 49 -2.522 -0.328 11.882 383 2HB LEU 49 2HB LEU 49 -3.438 -0.869 13.275 384 HG LEU 49 HG LEU 49 -3.928 -2.993 12.103 385 1HD1 LEU 49 1HD1 LEU 49 -2.690 -3.559 10.076 386 2HD1 LEU 49 2HD1 LEU 49 -3.769 -2.190 9.806 387 3HD1 LEU 49 3HD1 LEU 49 -2.038 -1.921 10.012 388 1HD2 LEU 49 1HD2 LEU 49 -1.006 -2.291 12.332 389 2HD2 LEU 49 2HD2 LEU 49 -2.049 -2.852 13.638 390 3HD2 LEU 49 3HD2 LEU 49 -1.670 -3.925 12.290 391 H GLY 50 H GLY 50 -6.061 0.161 13.637 392 1HA GLY 50 1HA GLY 50 -7.448 -2.320 13.823 393 2HA GLY 50 2HA GLY 50 -7.818 -0.857 14.722 394 H GLN 51 H GLN 51 -7.861 0.225 11.696 395 HA GLN 51 HA GLN 51 -10.742 -0.280 11.405 396 1HB GLN 51 1HB GLN 51 -9.099 1.876 10.067 397 2HB GLN 51 2HB GLN 51 -10.850 1.754 10.114 398 1HG GLN 51 1HG GLN 51 -9.050 2.274 12.468 399 2HG GLN 51 2HG GLN 51 -10.033 3.469 11.628 400 1HE2 GLN 51 2HE2 GLN 51 -12.269 1.579 11.310 401 2HE2 GLN 51 1HE2 GLN 51 -13.010 1.472 12.869 402 H LEU 52 H LEU 52 -8.031 -1.628 10.373 403 HA LEU 52 HA LEU 52 -8.562 -1.673 7.528 404 1HB LEU 52 1HB LEU 52 -6.245 -1.694 8.357 405 2HB LEU 52 2HB LEU 52 -6.545 -3.229 9.150 406 HG LEU 52 HG LEU 52 -6.918 -4.290 6.959 407 1HD1 LEU 52 1HD1 LEU 52 -6.167 -1.594 5.838 408 2HD1 LEU 52 2HD1 LEU 52 -6.378 -3.077 4.907 409 3HD1 LEU 52 3HD1 LEU 52 -7.755 -2.356 5.742 410 1HD2 LEU 52 1HD2 LEU 52 -4.603 -4.216 6.184 411 2HD2 LEU 52 2HD2 LEU 52 -4.319 -2.773 7.157 412 3HD2 LEU 52 3HD2 LEU 52 -4.687 -4.309 7.944 413 H GLN 53 H GLN 53 -10.588 -2.562 7.427 414 HA GLN 53 HA GLN 53 -10.820 -5.386 8.199 415 1HB GLN 53 1HB GLN 53 -12.992 -3.354 7.613 416 2HB GLN 53 2HB GLN 53 -13.264 -5.030 8.077 417 1HG GLN 53 1HG GLN 53 -12.232 -4.633 10.232 418 2HG GLN 53 2HG GLN 53 -11.856 -2.976 9.771 419 1HE2 GLN 53 2HE2 GLN 53 -14.434 -2.638 8.403 420 2HE2 GLN 53 1HE2 GLN 53 -15.602 -2.434 9.663 421 HA PRO 54 HA PRO 54 -10.738 -6.824 4.051 422 1HB PRO 54 1HB PRO 54 -13.386 -8.102 4.578 423 2HB PRO 54 2HB PRO 54 -11.901 -8.810 3.928 424 1HG PRO 54 1HG PRO 54 -12.585 -9.279 6.439 425 2HG PRO 54 2HG PRO 54 -10.892 -8.943 6.028 426 1HD PRO 54 1HD PRO 54 -12.932 -7.149 7.285 427 2HD PRO 54 2HD PRO 54 -11.200 -7.312 7.644 428 H ALA 55 H ALA 55 -13.791 -5.420 5.131 429 HA ALA 55 HA ALA 55 -14.879 -4.992 2.548 430 1HB ALA 55 1HB ALA 55 -16.256 -5.053 4.569 431 2HB ALA 55 2HB ALA 55 -15.504 -3.559 5.126 432 3HB ALA 55 3HB ALA 55 -16.494 -3.556 3.667 433 H HIS 56 H HIS 56 -12.469 -3.339 4.358 434 HA HIS 56 HA HIS 56 -12.706 -0.916 2.736 435 1HB HIS 56 1HB HIS 56 -10.964 -1.622 5.099 436 2HB HIS 56 2HB HIS 56 -10.736 -0.152 4.160 437 HD1 HIS 56 HD1 HIS 56 -11.457 0.032 7.143 438 HD2 HIS 56 HD2 HIS 56 -14.247 0.064 4.057 439 HE1 HIS 56 HE1 HIS 56 -13.492 1.163 8.080 440 HE2 HIS 56 HE2 HIS 56 -15.237 0.943 6.277 441 H MET 57 H MET 57 -10.868 -3.819 3.008 442 HA MET 57 HA MET 57 -8.738 -2.922 1.267 443 1HB MET 57 1HB MET 57 -8.498 -4.684 3.087 444 2HB MET 57 2HB MET 57 -9.412 -5.765 2.044 445 1HG MET 57 1HG MET 57 -7.050 -6.187 1.821 446 2HG MET 57 2HG MET 57 -7.692 -5.534 0.314 447 1HE MET 57 1HE MET 57 -4.026 -4.114 0.479 448 2HE MET 57 2HE MET 57 -5.176 -5.065 -0.463 449 3HE MET 57 3HE MET 57 -4.573 -5.681 1.076 450 H ASP 58 H ASP 58 -11.877 -4.088 0.992 451 HA ASP 58 HA ASP 58 -11.976 -5.641 -1.271 452 1HB ASP 58 1HB ASP 58 -13.922 -5.218 0.116 453 2HB ASP 58 2HB ASP 58 -13.915 -3.518 -0.338 454 H ALA 59 H ALA 59 -12.034 -2.098 -1.082 455 HA ALA 59 HA ALA 59 -12.334 -1.581 -3.814 456 1HB ALA 59 1HB ALA 59 -11.526 0.658 -3.314 457 2HB ALA 59 2HB ALA 59 -12.642 0.111 -2.064 458 3HB ALA 59 3HB ALA 59 -10.905 0.105 -1.759 459 H VAL 60 H VAL 60 -9.462 -2.164 -1.865 460 HA VAL 60 HA VAL 60 -7.588 -1.447 -3.886 461 HB VAL 60 HB VAL 60 -7.060 -3.338 -1.598 462 1HG1 VAL 60 1HG1 VAL 60 -5.295 -1.385 -3.065 463 2HG1 VAL 60 2HG1 VAL 60 -4.802 -2.398 -1.708 464 3HG1 VAL 60 3HG1 VAL 60 -5.279 -3.141 -3.234 465 1HG2 VAL 60 1HG2 VAL 60 -6.487 -1.387 -0.229 466 2HG2 VAL 60 2HG2 VAL 60 -7.061 -0.323 -1.514 467 3HG2 VAL 60 3HG2 VAL 60 -8.192 -1.392 -0.681 468 H LEU 61 H LEU 61 -9.051 -4.458 -2.786 469 HA LEU 61 HA LEU 61 -7.605 -6.173 -4.517 470 1HB LEU 61 1HB LEU 61 -10.297 -6.538 -3.201 471 2HB LEU 61 2HB LEU 61 -9.407 -7.808 -4.016 472 HG LEU 61 HG LEU 61 -8.477 -6.332 -1.550 473 1HD1 LEU 61 1HD1 LEU 61 -8.886 -8.436 -0.390 474 2HD1 LEU 61 2HD1 LEU 61 -10.371 -7.804 -1.102 475 3HD1 LEU 61 3HD1 LEU 61 -9.521 -9.141 -1.877 476 1HD2 LEU 61 1HD2 LEU 61 -7.282 -8.693 -3.000 477 2HD2 LEU 61 2HD2 LEU 61 -6.622 -7.057 -2.962 478 3HD2 LEU 61 3HD2 LEU 61 -6.703 -8.010 -1.480 479 H ALA 62 H ALA 62 -10.515 -4.272 -4.880 480 HA ALA 62 HA ALA 62 -11.471 -5.494 -7.252 481 1HB ALA 62 1HB ALA 62 -12.878 -4.097 -5.803 482 2HB ALA 62 2HB ALA 62 -11.936 -2.681 -6.267 483 3HB ALA 62 3HB ALA 62 -12.893 -3.539 -7.476 484 H LEU 63 H LEU 63 -9.203 -2.877 -6.627 485 HA LEU 63 HA LEU 63 -8.940 -2.047 -9.335 486 1HB LEU 63 1HB LEU 63 -6.996 -1.778 -7.039 487 2HB LEU 63 2HB LEU 63 -6.874 -0.934 -8.571 488 HG LEU 63 HG LEU 63 -9.092 -0.592 -6.549 489 1HD1 LEU 63 1HD1 LEU 63 -6.975 0.366 -5.807 490 2HD1 LEU 63 2HD1 LEU 63 -6.829 1.239 -7.332 491 3HD1 LEU 63 3HD1 LEU 63 -8.136 1.629 -6.215 492 1HD2 LEU 63 1HD2 LEU 63 -9.798 1.271 -7.988 493 2HD2 LEU 63 2HD2 LEU 63 -8.572 0.811 -9.169 494 3HD2 LEU 63 3HD2 LEU 63 -9.910 -0.282 -8.814 495 H ASN 64 H ASN 64 -7.590 -4.599 -7.456 496 HA ASN 64 HA ASN 64 -6.219 -6.337 -7.876 497 1HB ASN 64 1HB ASN 64 -7.065 -5.704 -10.695 498 2HB ASN 64 2HB ASN 64 -5.972 -7.034 -10.330 499 1HD2 ASN 64 2HD2 ASN 64 -9.207 -5.840 -10.112 500 2HD2 ASN 64 1HD2 ASN 64 -9.936 -7.317 -9.585 501 HA PRO 65 HA PRO 65 -2.420 -4.036 -8.862 502 1HB PRO 65 1HB PRO 65 -1.578 -4.126 -6.167 503 2HB PRO 65 2HB PRO 65 -2.193 -2.718 -7.032 504 1HG PRO 65 1HG PRO 65 -3.446 -4.005 -4.888 505 2HG PRO 65 2HG PRO 65 -4.203 -2.846 -5.993 506 1HD PRO 65 1HD PRO 65 -4.309 -5.831 -6.006 507 2HD PRO 65 2HD PRO 65 -5.568 -4.651 -6.438 508 H ALA 66 H ALA 66 -0.261 -4.900 -8.770 509 HA ALA 66 HA ALA 66 -0.222 -7.792 -8.539 510 1HB ALA 66 1HB ALA 66 1.955 -5.879 -9.388 511 2HB ALA 66 2HB ALA 66 2.006 -7.635 -9.529 512 3HB ALA 66 3HB ALA 66 0.835 -6.710 -10.468 513 H VAL 67 H VAL 67 1.057 -4.981 -6.921 514 HA VAL 67 HA VAL 67 1.742 -6.646 -4.631 515 HB VAL 67 HB VAL 67 3.857 -6.558 -5.773 516 1HG1 VAL 67 1HG1 VAL 67 3.517 -3.568 -5.862 517 2HG1 VAL 67 2HG1 VAL 67 4.964 -4.451 -6.349 518 3HG1 VAL 67 3HG1 VAL 67 3.456 -4.674 -7.235 519 1HG2 VAL 67 1HG2 VAL 67 5.261 -5.393 -4.127 520 2HG2 VAL 67 2HG2 VAL 67 3.827 -4.588 -3.491 521 3HG2 VAL 67 3HG2 VAL 67 3.983 -6.340 -3.365 522 H ILE 68 H ILE 68 1.518 -5.582 -2.670 523 HA ILE 68 HA ILE 68 0.617 -2.779 -2.812 524 HB ILE 68 HB ILE 68 -0.665 -4.915 -1.095 525 1HG1 ILE 68 1HG1 ILE 68 -1.781 -3.522 -3.540 526 2HG1 ILE 68 2HG1 ILE 68 -1.181 -5.177 -3.516 527 1HG2 ILE 68 1HG2 ILE 68 -0.709 -2.699 -0.090 528 2HG2 ILE 68 2HG2 ILE 68 -1.402 -2.026 -1.566 529 3HG2 ILE 68 3HG2 ILE 68 -2.327 -3.178 -0.601 530 1HD1 ILE 68 1HD1 ILE 68 -3.604 -5.106 -3.399 531 2HD1 ILE 68 2HD1 ILE 68 -2.919 -5.788 -1.923 532 3HD1 ILE 68 3HD1 ILE 68 -3.516 -4.129 -1.933 533 H LEU 69 H LEU 69 1.730 -1.523 -1.489 534 HA LEU 69 HA LEU 69 3.135 -2.772 0.774 535 1HB LEU 69 1HB LEU 69 3.762 -0.282 -0.808 536 2HB LEU 69 2HB LEU 69 4.596 -0.728 0.668 537 HG LEU 69 HG LEU 69 4.535 -2.462 -1.802 538 1HD1 LEU 69 1HD1 LEU 69 6.813 -1.676 -2.200 539 2HD1 LEU 69 2HD1 LEU 69 5.657 -0.348 -2.278 540 3HD1 LEU 69 3HD1 LEU 69 6.668 -0.554 -0.847 541 1HD2 LEU 69 1HD2 LEU 69 6.391 -3.612 -0.709 542 2HD2 LEU 69 2HD2 LEU 69 6.245 -2.537 0.682 543 3HD2 LEU 69 3HD2 LEU 69 4.940 -3.657 0.291 544 H LEU 70 H LEU 70 2.336 -2.359 2.696 545 HA LEU 70 HA LEU 70 0.519 -0.086 3.018 546 1HB LEU 70 1HB LEU 70 -0.316 -2.298 3.672 547 2HB LEU 70 2HB LEU 70 1.021 -2.482 4.790 548 HG LEU 70 HG LEU 70 0.151 -0.537 6.083 549 1HD1 LEU 70 1HD1 LEU 70 -2.210 -0.790 4.224 550 2HD1 LEU 70 2HD1 LEU 70 -2.133 0.220 5.668 551 3HD1 LEU 70 3HD1 LEU 70 -1.084 0.566 4.294 552 1HD2 LEU 70 1HD2 LEU 70 -1.716 -1.747 7.095 553 2HD2 LEU 70 2HD2 LEU 70 -1.775 -2.828 5.703 554 3HD2 LEU 70 3HD2 LEU 70 -0.362 -2.824 6.757 555 H GLY 71 H GLY 71 1.350 1.716 3.816 556 1HA GLY 71 1HA GLY 71 3.728 1.525 5.546 557 2HA GLY 71 2HA GLY 71 3.239 2.952 4.642 558 H THR 72 H THR 72 2.625 0.988 7.469 559 HA THR 72 HA THR 72 0.598 2.813 8.457 560 HB THR 72 HB THR 72 0.911 1.174 10.526 561 HG1 THR 72 HG1 THR 72 2.457 -0.206 10.013 562 1HG2 THR 72 1HG2 THR 72 -0.404 0.355 7.933 563 2HG2 THR 72 2HG2 THR 72 -0.756 -0.320 9.525 564 3HG2 THR 72 3HG2 THR 72 -1.124 1.371 9.183 565 H GLY 73 H GLY 73 1.990 4.692 8.573 566 1HA GLY 73 1HA GLY 73 3.438 6.155 9.607 567 2HA GLY 73 2HA GLY 73 2.853 5.402 11.081 568 H GLU 74 H GLU 74 4.300 4.445 12.331 569 HA GLU 74 HA GLU 74 6.715 3.327 11.093 570 1HB GLU 74 1HB GLU 74 7.758 4.015 13.447 571 2HB GLU 74 2HB GLU 74 7.774 5.096 12.065 572 1HG GLU 74 1HG GLU 74 7.147 6.298 14.053 573 2HG GLU 74 2HG GLU 74 5.784 6.229 12.941 574 H ARG 75 H ARG 75 4.201 2.117 11.851 575 HA ARG 75 HA ARG 75 5.102 0.330 14.022 576 1HB ARG 75 1HB ARG 75 2.268 0.968 13.169 577 2HB ARG 75 2HB ARG 75 2.729 -0.113 14.476 578 1HG ARG 75 1HG ARG 75 3.380 2.819 14.399 579 2HG ARG 75 2HG ARG 75 1.981 2.126 15.222 580 1HD ARG 75 1HD ARG 75 3.266 1.126 16.847 581 2HD ARG 75 2HD ARG 75 4.697 1.053 15.817 582 HE ARG 75 HE ARG 75 4.796 3.546 16.117 583 1HH1 ARG 75 1HH1 ARG 75 3.206 1.533 18.518 584 2HH1 ARG 75 2HH1 ARG 75 3.580 2.610 19.835 585 1HH2 ARG 75 1HH2 ARG 75 5.312 4.915 17.815 586 2HH2 ARG 75 2HH2 ARG 75 4.810 4.535 19.440 587 H GLN 76 H GLN 76 5.857 -1.508 13.130 588 HA GLN 76 HA GLN 76 4.434 -2.598 10.814 589 1HB GLN 76 1HB GLN 76 6.835 -2.550 10.524 590 2HB GLN 76 2HB GLN 76 7.078 -3.398 12.045 591 1HG GLN 76 1HG GLN 76 6.234 -5.415 11.180 592 2HG GLN 76 2HG GLN 76 5.539 -4.613 9.774 593 1HE2 GLN 76 2HE2 GLN 76 6.804 -4.168 8.030 594 2HE2 GLN 76 1HE2 GLN 76 8.421 -4.766 7.846 595 H GLN 77 H GLN 77 2.616 -3.391 11.663 596 HA GLN 77 HA GLN 77 2.900 -5.695 13.467 597 1HB GLN 77 1HB GLN 77 1.944 -3.904 14.782 598 2HB GLN 77 2HB GLN 77 0.776 -3.539 13.520 599 1HG GLN 77 1HG GLN 77 -0.283 -4.713 15.346 600 2HG GLN 77 2HG GLN 77 -0.299 -5.701 13.887 601 1HE2 GLN 77 2HE2 GLN 77 -0.511 -7.621 14.969 602 2HE2 GLN 77 1HE2 GLN 77 0.754 -8.307 15.929 603 H PHE 78 H PHE 78 1.933 -7.507 12.748 604 HA PHE 78 HA PHE 78 0.753 -7.500 10.150 605 1HB PHE 78 1HB PHE 78 0.464 -9.939 10.510 606 2HB PHE 78 2HB PHE 78 2.110 -9.396 10.799 607 HD1 PHE 78 HD1 PHE 78 -0.856 -10.897 12.242 608 HD2 PHE 78 HD2 PHE 78 2.983 -9.278 13.105 609 HE1 PHE 78 HE1 PHE 78 -0.902 -11.977 14.451 610 HE2 PHE 78 HE2 PHE 78 2.942 -10.353 15.318 611 HZ PHE 78 HZ PHE 78 0.997 -11.703 15.993 612 HA PRO 79 HA PRO 79 -3.422 -6.892 11.618 613 1HB PRO 79 1HB PRO 79 -4.309 -7.332 8.898 614 2HB PRO 79 2HB PRO 79 -4.268 -5.824 9.812 615 1HG PRO 79 1HG PRO 79 -2.659 -6.342 7.662 616 2HG PRO 79 2HG PRO 79 -2.237 -5.217 8.965 617 1HD PRO 79 1HD PRO 79 -1.331 -8.033 8.517 618 2HD PRO 79 2HD PRO 79 -0.416 -6.627 9.104 619 H SER 80 H SER 80 -5.613 -8.047 10.832 620 HA SER 80 HA SER 80 -5.383 -10.740 11.665 621 1HB SER 80 1HB SER 80 -7.393 -9.204 11.970 622 2HB SER 80 2HB SER 80 -7.771 -9.509 10.276 623 HG SER 80 HG SER 80 -8.760 -11.217 10.986 624 H THR 81 H THR 81 -5.651 -12.649 10.504 625 HA THR 81 HA THR 81 -4.340 -12.736 8.030 626 HB THR 81 HB THR 81 -6.140 -14.913 9.093 627 HG1 THR 81 HG1 THR 81 -3.703 -13.895 10.064 628 1HG2 THR 81 1HG2 THR 81 -5.171 -15.294 6.871 629 2HG2 THR 81 2HG2 THR 81 -3.561 -14.989 7.518 630 3HG2 THR 81 3HG2 THR 81 -4.478 -16.393 8.063 631 H ASP 82 H ASP 82 -7.654 -12.233 8.791 632 HA ASP 82 HA ASP 82 -9.009 -13.229 6.589 633 1HB ASP 82 1HB ASP 82 -9.637 -10.563 7.864 634 2HB ASP 82 2HB ASP 82 -10.759 -11.674 7.087 635 H VAL 83 H VAL 83 -7.324 -10.152 6.961 636 HA VAL 83 HA VAL 83 -8.050 -9.237 4.326 637 HB VAL 83 HB VAL 83 -6.009 -8.089 6.245 638 1HG1 VAL 83 1HG1 VAL 83 -6.336 -6.009 4.994 639 2HG1 VAL 83 2HG1 VAL 83 -5.717 -7.298 3.963 640 3HG1 VAL 83 3HG1 VAL 83 -7.421 -6.849 3.885 641 1HG2 VAL 83 1HG2 VAL 83 -7.770 -6.540 6.934 642 2HG2 VAL 83 2HG2 VAL 83 -8.920 -7.378 5.891 643 3HG2 VAL 83 3HG2 VAL 83 -8.217 -8.211 7.278 644 H LEU 84 H LEU 84 -5.265 -10.674 5.899 645 HA LEU 84 HA LEU 84 -3.404 -10.146 3.819 646 1HB LEU 84 1HB LEU 84 -3.306 -12.208 6.020 647 2HB LEU 84 2HB LEU 84 -1.953 -11.734 5.011 648 HG LEU 84 HG LEU 84 -3.399 -9.943 6.964 649 1HD1 LEU 84 1HD1 LEU 84 -2.048 -11.636 8.071 650 2HD1 LEU 84 2HD1 LEU 84 -0.659 -11.193 7.077 651 3HD1 LEU 84 3HD1 LEU 84 -1.317 -10.040 8.238 652 1HD2 LEU 84 1HD2 LEU 84 -2.564 -8.694 5.047 653 2HD2 LEU 84 2HD2 LEU 84 -1.610 -8.340 6.487 654 3HD2 LEU 84 3HD2 LEU 84 -0.971 -9.423 5.251 655 H ALA 85 H ALA 85 -5.312 -13.006 4.706 656 HA ALA 85 HA ALA 85 -4.146 -14.810 2.914 657 1HB ALA 85 1HB ALA 85 -5.576 -15.491 4.783 658 2HB ALA 85 2HB ALA 85 -6.977 -14.813 3.953 659 3HB ALA 85 3HB ALA 85 -6.120 -16.190 3.257 660 H ALA 86 H ALA 86 -6.898 -12.625 2.503 661 HA ALA 86 HA ALA 86 -7.790 -13.582 0.025 662 1HB ALA 86 1HB ALA 86 -9.105 -12.088 1.454 663 2HB ALA 86 2HB ALA 86 -7.980 -10.775 1.109 664 3HB ALA 86 3HB ALA 86 -8.960 -11.458 -0.188 665 H CYS 87 H CYS 87 -5.206 -11.379 0.855 666 HA CYS 87 HA CYS 87 -4.804 -10.527 -1.874 667 1HB CYS 87 1HB CYS 87 -3.023 -10.128 0.539 668 2HB CYS 87 2HB CYS 87 -2.926 -9.259 -0.989 669 HG CYS 87 HG CYS 87 -5.281 -8.961 1.460 670 H LEU 88 H LEU 88 -3.145 -12.595 0.476 671 HA LEU 88 HA LEU 88 -0.904 -13.183 -1.112 672 1HB LEU 88 1HB LEU 88 -2.145 -14.756 1.142 673 2HB LEU 88 2HB LEU 88 -0.565 -15.081 0.454 674 HG LEU 88 HG LEU 88 -1.357 -12.526 1.855 675 1HD1 LEU 88 1HD1 LEU 88 0.376 -14.811 2.782 676 2HD1 LEU 88 2HD1 LEU 88 0.102 -13.299 3.648 677 3HD1 LEU 88 3HD1 LEU 88 -1.234 -14.420 3.386 678 1HD2 LEU 88 1HD2 LEU 88 0.339 -12.167 0.143 679 2HD2 LEU 88 2HD2 LEU 88 1.032 -12.008 1.756 680 3HD2 LEU 88 3HD2 LEU 88 1.313 -13.475 0.817 681 H THR 89 H THR 89 -4.030 -14.802 -0.813 682 HA THR 89 HA THR 89 -3.317 -17.161 -2.180 683 HB THR 89 HB THR 89 -5.834 -17.332 -2.611 684 HG1 THR 89 HG1 THR 89 -6.080 -15.262 -0.712 685 1HG2 THR 89 1HG2 THR 89 -6.312 -17.838 -0.261 686 2HG2 THR 89 2HG2 THR 89 -4.721 -18.438 -0.731 687 3HG2 THR 89 3HG2 THR 89 -4.861 -16.962 0.225 688 H ARG 90 H ARG 90 -4.457 -14.028 -3.332 689 HA ARG 90 HA ARG 90 -4.756 -15.053 -6.037 690 1HB ARG 90 1HB ARG 90 -5.070 -12.204 -5.087 691 2HB ARG 90 2HB ARG 90 -5.608 -12.872 -6.622 692 1HG ARG 90 1HG ARG 90 -7.006 -14.471 -5.103 693 2HG ARG 90 2HG ARG 90 -6.767 -13.204 -3.899 694 1HD ARG 90 1HD ARG 90 -8.146 -13.024 -6.560 695 2HD ARG 90 2HD ARG 90 -8.805 -12.695 -4.962 696 HE ARG 90 HE ARG 90 -6.634 -10.968 -5.757 697 1HH1 ARG 90 1HH1 ARG 90 -10.099 -11.443 -5.647 698 2HH1 ARG 90 2HH1 ARG 90 -10.465 -9.762 -5.938 699 1HH2 ARG 90 1HH2 ARG 90 -7.117 -8.762 -6.164 700 2HH2 ARG 90 2HH2 ARG 90 -8.769 -8.248 -6.251 701 H GLY 91 H GLY 91 -2.143 -14.367 -4.329 702 1HA GLY 91 1HA GLY 91 0.036 -14.196 -5.103 703 2HA GLY 91 2HA GLY 91 -0.592 -13.893 -6.714 704 H ILE 92 H ILE 92 -1.764 -11.979 -4.092 705 HA ILE 92 HA ILE 92 -0.363 -9.666 -5.215 706 HB ILE 92 HB ILE 92 -2.662 -9.707 -3.251 707 1HG1 ILE 92 1HG1 ILE 92 -2.693 -9.200 -6.240 708 2HG1 ILE 92 2HG1 ILE 92 -3.279 -10.663 -5.455 709 1HG2 ILE 92 1HG2 ILE 92 -1.452 -7.471 -4.875 710 2HG2 ILE 92 2HG2 ILE 92 -2.886 -7.336 -3.857 711 3HG2 ILE 92 3HG2 ILE 92 -1.318 -7.687 -3.129 712 1HD1 ILE 92 1HD1 ILE 92 -5.105 -9.181 -6.059 713 2HD1 ILE 92 2HD1 ILE 92 -4.993 -9.362 -4.308 714 3HD1 ILE 92 3HD1 ILE 92 -4.399 -7.894 -5.084 715 H GLY 93 H GLY 93 1.426 -9.042 -4.227 716 1HA GLY 93 1HA GLY 93 2.120 -10.059 -1.628 717 2HA GLY 93 2HA GLY 93 3.108 -9.019 -2.644 718 H LEU 94 H LEU 94 0.628 -9.129 -0.200 719 HA LEU 94 HA LEU 94 0.720 -6.237 0.153 720 1HB LEU 94 1HB LEU 94 -1.458 -7.226 0.345 721 2HB LEU 94 2HB LEU 94 -0.878 -8.417 1.492 722 HG LEU 94 HG LEU 94 -0.502 -6.622 3.148 723 1HD1 LEU 94 1HD1 LEU 94 -1.803 -4.848 1.088 724 2HD1 LEU 94 2HD1 LEU 94 -1.420 -4.395 2.748 725 3HD1 LEU 94 3HD1 LEU 94 -0.122 -4.768 1.613 726 1HD2 LEU 94 1HD2 LEU 94 -2.863 -6.181 3.622 727 2HD2 LEU 94 2HD2 LEU 94 -3.288 -6.731 2.002 728 3HD2 LEU 94 3HD2 LEU 94 -2.591 -7.862 3.163 729 H GLU 95 H GLU 95 2.528 -5.557 1.134 730 HA GLU 95 HA GLU 95 3.435 -7.060 3.500 731 1HB GLU 95 1HB GLU 95 5.088 -5.258 1.722 732 2HB GLU 95 2HB GLU 95 5.675 -6.188 3.093 733 1HG GLU 95 1HG GLU 95 4.735 -8.220 1.765 734 2HG GLU 95 2HG GLU 95 4.838 -7.119 0.390 735 H ALA 96 H ALA 96 3.039 -6.112 5.353 736 HA ALA 96 HA ALA 96 2.472 -3.276 5.497 737 1HB ALA 96 1HB ALA 96 1.109 -4.877 6.759 738 2HB ALA 96 2HB ALA 96 2.533 -5.351 7.685 739 3HB ALA 96 3HB ALA 96 1.899 -3.710 7.821 740 H MET 97 H MET 97 4.020 -1.837 5.716 741 HA MET 97 HA MET 97 6.338 -2.463 7.417 742 1HB MET 97 1HB MET 97 6.449 -1.047 4.742 743 2HB MET 97 2HB MET 97 7.801 -1.253 5.842 744 1HG MET 97 1HG MET 97 7.627 -3.691 5.554 745 2HG MET 97 2HG MET 97 6.331 -3.436 4.386 746 1HE MET 97 1HE MET 97 7.578 -4.786 2.492 747 2HE MET 97 2HE MET 97 8.860 -5.158 3.643 748 3HE MET 97 3HE MET 97 9.264 -4.519 2.050 749 H THR 98 H THR 98 7.622 -0.124 7.444 750 HA THR 98 HA THR 98 5.705 1.758 8.532 751 HB THR 98 HB THR 98 7.664 3.093 9.166 752 HG1 THR 98 HG1 THR 98 9.758 1.732 8.702 753 1HG2 THR 98 1HG2 THR 98 8.037 0.157 9.779 754 2HG2 THR 98 2HG2 THR 98 8.732 1.497 10.693 755 3HG2 THR 98 3HG2 THR 98 6.984 1.270 10.652 756 H ASN 99 H ASN 99 5.836 4.068 7.815 757 HA ASN 99 HA ASN 99 5.327 4.362 5.095 758 1HB ASN 99 1HB ASN 99 4.551 5.967 6.741 759 2HB ASN 99 2HB ASN 99 6.203 6.410 7.146 760 1HD2 ASN 99 2HD2 ASN 99 3.679 6.646 4.748 761 2HD2 ASN 99 1HD2 ASN 99 4.353 7.992 3.901 762 H ALA 100 H ALA 100 8.314 4.859 6.904 763 HA ALA 100 HA ALA 100 9.822 5.861 4.706 764 1HB ALA 100 1HB ALA 100 10.399 6.363 7.031 765 2HB ALA 100 2HB ALA 100 10.793 4.664 7.295 766 3HB ALA 100 3HB ALA 100 11.749 5.626 6.168 767 H ALA 101 H ALA 101 9.331 2.643 6.083 768 HA ALA 101 HA ALA 101 11.387 1.400 4.532 769 1HB ALA 101 1HB ALA 101 10.614 0.438 6.641 770 2HB ALA 101 2HB ALA 101 9.029 0.142 5.928 771 3HB ALA 101 3HB ALA 101 10.447 -0.705 5.309 772 H ALA 102 H ALA 102 7.890 1.773 4.187 773 HA ALA 102 HA ALA 102 7.551 0.124 1.938 774 1HB ALA 102 1HB ALA 102 5.449 1.310 1.595 775 2HB ALA 102 2HB ALA 102 5.685 0.925 3.300 776 3HB ALA 102 3HB ALA 102 5.964 2.568 2.720 777 H ALA 103 H ALA 103 8.415 3.538 2.239 778 HA ALA 103 HA ALA 103 8.324 4.261 -0.457 779 1HB ALA 103 1HB ALA 103 10.269 5.230 1.630 780 2HB ALA 103 2HB ALA 103 9.863 6.048 0.122 781 3HB ALA 103 3HB ALA 103 8.640 5.855 1.377 782 H ARG 104 H ARG 104 10.794 2.542 1.351 783 HA ARG 104 HA ARG 104 12.867 2.683 -0.558 784 1HB ARG 104 1HB ARG 104 12.257 0.771 1.684 785 2HB ARG 104 2HB ARG 104 13.664 0.563 0.651 786 1HG ARG 104 1HG ARG 104 14.637 2.569 1.390 787 2HG ARG 104 2HG ARG 104 13.131 3.116 2.130 788 1HD ARG 104 1HD ARG 104 13.299 1.554 3.880 789 2HD ARG 104 2HD ARG 104 14.536 0.623 3.038 790 HE ARG 104 HE ARG 104 16.120 1.999 3.923 791 1HH1 ARG 104 1HH1 ARG 104 13.030 3.667 4.124 792 2HH1 ARG 104 2HH1 ARG 104 13.679 5.003 5.028 793 1HH2 ARG 104 1HH2 ARG 104 16.940 3.705 5.163 794 2HH2 ARG 104 2HH2 ARG 104 15.896 5.009 5.642 795 H THR 105 H THR 105 10.456 0.152 0.093 796 HA THR 105 HA THR 105 11.288 -1.525 -2.034 797 HB THR 105 HB THR 105 8.528 -1.497 -0.823 798 HG1 THR 105 HG1 THR 105 10.501 -3.110 0.311 799 1HG2 THR 105 1HG2 THR 105 8.896 -3.034 -2.701 800 2HG2 THR 105 2HG2 THR 105 10.281 -3.731 -1.861 801 3HG2 THR 105 3HG2 THR 105 8.659 -3.917 -1.193 802 H TYR 106 H TYR 106 8.919 1.057 -1.734 803 HA TYR 106 HA TYR 106 7.539 0.647 -4.143 804 1HB TYR 106 1HB TYR 106 6.764 2.150 -2.330 805 2HB TYR 106 2HB TYR 106 8.062 3.271 -2.726 806 HD1 TYR 106 HD1 TYR 106 7.804 4.858 -4.461 807 HD2 TYR 106 HD2 TYR 106 4.975 1.709 -4.053 808 HE1 TYR 106 HE1 TYR 106 6.348 5.961 -6.109 809 HE2 TYR 106 HE2 TYR 106 3.510 2.802 -5.700 810 HH TYR 106 HH TYR 106 3.116 5.035 -6.627 811 H ASN 107 H ASN 107 10.504 2.425 -3.419 812 HA ASN 107 HA ASN 107 10.869 3.693 -5.880 813 1HB ASN 107 1HB ASN 107 12.267 4.260 -3.995 814 2HB ASN 107 2HB ASN 107 12.912 2.623 -3.923 815 1HD2 ASN 107 2HD2 ASN 107 12.955 5.649 -5.639 816 2HD2 ASN 107 1HD2 ASN 107 14.392 5.340 -6.556 817 H VAL 108 H VAL 108 11.909 0.477 -4.812 818 HA VAL 108 HA VAL 108 13.253 -0.232 -7.195 819 HB VAL 108 HB VAL 108 11.932 -2.100 -5.217 820 1HG1 VAL 108 1HG1 VAL 108 12.589 -3.200 -7.284 821 2HG1 VAL 108 2HG1 VAL 108 14.217 -2.541 -7.135 822 3HG1 VAL 108 3HG1 VAL 108 13.627 -3.709 -5.953 823 1HG2 VAL 108 1HG2 VAL 108 14.102 -2.173 -4.083 824 2HG2 VAL 108 2HG2 VAL 108 14.716 -0.936 -5.180 825 3HG2 VAL 108 3HG2 VAL 108 13.410 -0.552 -4.059 826 H LEU 109 H LEU 109 9.940 -0.735 -6.072 827 HA LEU 109 HA LEU 109 9.136 -2.323 -8.287 828 1HB LEU 109 1HB LEU 109 7.485 -0.716 -6.337 829 2HB LEU 109 2HB LEU 109 6.846 -1.904 -7.459 830 HG LEU 109 HG LEU 109 8.805 -2.517 -5.246 831 1HD1 LEU 109 1HD1 LEU 109 6.641 -1.867 -4.348 832 2HD1 LEU 109 2HD1 LEU 109 5.841 -3.023 -5.413 833 3HD1 LEU 109 3HD1 LEU 109 6.917 -3.597 -4.139 834 1HD2 LEU 109 1HD2 LEU 109 8.261 -4.854 -5.755 835 2HD2 LEU 109 2HD2 LEU 109 7.265 -4.320 -7.109 836 3HD2 LEU 109 3HD2 LEU 109 9.005 -4.039 -7.130 837 H ALA 110 H ALA 110 9.177 1.119 -7.646 838 HA ALA 110 HA ALA 110 7.541 1.943 -9.798 839 1HB ALA 110 1HB ALA 110 8.548 4.144 -9.487 840 2HB ALA 110 2HB ALA 110 8.118 3.423 -7.937 841 3HB ALA 110 3HB ALA 110 9.800 3.436 -8.466 842 H SER 111 H SER 111 11.038 1.419 -9.518 843 HA SER 111 HA SER 111 11.581 2.187 -12.212 844 1HB SER 111 1HB SER 111 13.794 0.958 -11.718 845 2HB SER 111 2HB SER 111 13.410 2.385 -10.756 846 HG SER 111 HG SER 111 12.676 -0.198 -9.874 847 H GLU 112 H GLU 112 10.218 -0.575 -10.834 848 HA GLU 112 HA GLU 112 10.996 -2.362 -12.981 849 1HB GLU 112 1HB GLU 112 9.787 -2.633 -10.361 850 2HB GLU 112 2HB GLU 112 8.878 -3.523 -11.576 851 1HG GLU 112 1HG GLU 112 11.812 -3.807 -10.978 852 2HG GLU 112 2HG GLU 112 10.530 -4.947 -10.556 853 H GLY 113 H GLY 113 8.474 -0.147 -12.233 854 1HA GLY 113 1HA GLY 113 6.677 0.564 -13.484 855 2HA GLY 113 2HA GLY 113 7.279 -0.431 -14.802 856 H ARG 114 H ARG 114 6.483 -1.624 -11.607 857 HA ARG 114 HA ARG 114 4.464 -3.357 -12.830 858 1HB ARG 114 1HB ARG 114 5.781 -3.506 -10.110 859 2HB ARG 114 2HB ARG 114 4.621 -4.667 -10.740 860 1HG ARG 114 1HG ARG 114 6.177 -5.218 -12.555 861 2HG ARG 114 2HG ARG 114 7.345 -4.081 -11.881 862 1HD ARG 114 1HD ARG 114 7.386 -5.392 -9.800 863 2HD ARG 114 2HD ARG 114 6.262 -6.545 -10.519 864 HE ARG 114 HE ARG 114 8.751 -6.072 -11.962 865 1HH1 ARG 114 1HH1 ARG 114 6.959 -8.129 -9.743 866 2HH1 ARG 114 2HH1 ARG 114 8.001 -9.505 -10.010 867 1HH2 ARG 114 1HH2 ARG 114 10.079 -7.870 -12.305 868 2HH2 ARG 114 2HH2 ARG 114 9.758 -9.363 -11.471 869 H ARG 115 H ARG 115 2.418 -3.704 -11.678 870 HA ARG 115 HA ARG 115 1.316 -1.170 -10.896 871 1HB ARG 115 1HB ARG 115 0.177 -3.082 -12.260 872 2HB ARG 115 2HB ARG 115 -0.184 -3.760 -10.678 873 1HG ARG 115 1HG ARG 115 -2.062 -2.464 -11.467 874 2HG ARG 115 2HG ARG 115 -1.336 -1.671 -10.067 875 1HD ARG 115 1HD ARG 115 -0.135 -0.143 -11.553 876 2HD ARG 115 2HD ARG 115 -0.843 -0.942 -12.955 877 HE ARG 115 HE ARG 115 -2.900 -0.026 -11.255 878 1HH1 ARG 115 1HH1 ARG 115 -0.444 1.175 -13.443 879 2HH1 ARG 115 2HH1 ARG 115 -1.356 2.587 -13.903 880 1HH2 ARG 115 1HH2 ARG 115 -4.094 1.863 -11.805 881 2HH2 ARG 115 2HH2 ARG 115 -3.427 2.987 -12.962 882 H VAL 116 H VAL 116 2.351 -0.651 -9.006 883 HA VAL 116 HA VAL 116 1.882 -2.384 -6.691 884 HB VAL 116 HB VAL 116 4.202 -1.835 -6.943 885 1HG1 VAL 116 1HG1 VAL 116 5.031 0.476 -6.959 886 2HG1 VAL 116 2HG1 VAL 116 4.010 0.130 -8.355 887 3HG1 VAL 116 3HG1 VAL 116 3.369 1.063 -7.002 888 1HG2 VAL 116 1HG2 VAL 116 3.372 -1.863 -4.652 889 2HG2 VAL 116 2HG2 VAL 116 4.682 -0.696 -4.830 890 3HG2 VAL 116 3HG2 VAL 116 3.011 -0.140 -4.749 891 H ALA 117 H ALA 117 0.528 -1.817 -5.133 892 HA ALA 117 HA ALA 117 -0.718 0.839 -5.252 893 1HB ALA 117 1HB ALA 117 -1.601 -1.654 -3.792 894 2HB ALA 117 2HB ALA 117 -2.478 -0.125 -3.847 895 3HB ALA 117 3HB ALA 117 -2.252 -1.066 -5.322 896 H LEU 118 H LEU 118 0.382 2.259 -4.043 897 HA LEU 118 HA LEU 118 1.693 1.372 -1.603 898 1HB LEU 118 1HB LEU 118 2.778 2.939 -3.244 899 2HB LEU 118 2HB LEU 118 1.597 4.148 -2.782 900 HG LEU 118 HG LEU 118 2.454 4.035 -0.451 901 1HD1 LEU 118 1HD1 LEU 118 4.570 2.278 -1.686 902 2HD1 LEU 118 2HD1 LEU 118 4.610 2.942 -0.054 903 3HD1 LEU 118 3HD1 LEU 118 3.362 1.782 -0.502 904 1HD2 LEU 118 1HD2 LEU 118 4.535 5.249 -0.907 905 2HD2 LEU 118 2HD2 LEU 118 4.490 4.691 -2.580 906 3HD2 LEU 118 3HD2 LEU 118 3.230 5.766 -1.974 907 H ALA 119 H ALA 119 0.065 0.950 -0.171 908 HA ALA 119 HA ALA 119 -1.992 2.939 0.328 909 1HB ALA 119 1HB ALA 119 -2.589 0.559 0.332 910 2HB ALA 119 2HB ALA 119 -1.487 0.288 1.682 911 3HB ALA 119 3HB ALA 119 -2.907 1.311 1.895 912 H MET 120 H MET 120 -1.283 4.667 1.397 913 HA MET 120 HA MET 120 0.660 4.262 3.561 914 1HB MET 120 1HB MET 120 0.064 6.613 1.790 915 2HB MET 120 2HB MET 120 0.924 6.815 3.309 916 1HG MET 120 1HG MET 120 1.790 5.068 1.018 917 2HG MET 120 2HG MET 120 2.447 6.654 1.421 918 1HE MET 120 1HE MET 120 4.936 5.980 1.696 919 2HE MET 120 2HE MET 120 4.459 4.421 1.026 920 3HE MET 120 3HE MET 120 5.457 4.488 2.479 921 H ILE 121 H ILE 121 -0.152 4.231 5.513 922 HA ILE 121 HA ILE 121 -2.429 5.963 6.161 923 HB ILE 121 HB ILE 121 -1.115 3.825 7.860 924 1HG1 ILE 121 1HG1 ILE 121 -3.730 3.796 6.332 925 2HG1 ILE 121 2HG1 ILE 121 -2.283 2.888 5.908 926 1HG2 ILE 121 1HG2 ILE 121 -3.639 5.420 8.299 927 2HG2 ILE 121 2HG2 ILE 121 -3.067 4.101 9.323 928 3HG2 ILE 121 3HG2 ILE 121 -2.131 5.590 9.197 929 1HD1 ILE 121 1HD1 ILE 121 -3.940 1.480 6.988 930 2HD1 ILE 121 2HD1 ILE 121 -2.478 1.606 7.967 931 3HD1 ILE 121 3HD1 ILE 121 -3.917 2.525 8.407 932 H VAL 122 H VAL 122 -1.560 7.944 6.316 933 HA VAL 122 HA VAL 122 1.024 8.295 7.620 934 HB VAL 122 HB VAL 122 -0.681 10.336 6.184 935 1HG1 VAL 122 1HG1 VAL 122 1.375 11.654 6.085 936 2HG1 VAL 122 2HG1 VAL 122 0.896 11.330 7.751 937 3HG1 VAL 122 3HG1 VAL 122 2.215 10.416 7.020 938 1HG2 VAL 122 1HG2 VAL 122 1.665 8.728 5.175 939 2HG2 VAL 122 2HG2 VAL 122 -0.017 8.541 4.678 940 3HG2 VAL 122 3HG2 VAL 122 0.853 10.028 4.300 941 H GLY 123 H GLY 123 1.090 8.683 9.709 942 1HA GLY 123 1HA GLY 123 -0.198 10.847 10.930 943 2HA GLY 123 2HA GLY 123 -1.115 9.393 11.296 944 H GLY 124 H GLY 124 -0.192 10.568 13.426 945 1HA GLY 124 1HA GLY 124 2.376 9.328 14.123 946 2HA GLY 124 2HA GLY 124 1.552 10.579 15.046 947 H LEU 125 H LEU 125 2.205 7.301 14.827 948 HA LEU 125 HA LEU 125 -0.196 6.464 16.258 949 1HB LEU 125 1HB LEU 125 2.171 4.919 15.204 950 2HB LEU 125 2HB LEU 125 0.896 4.187 16.153 951 HG LEU 125 HG LEU 125 0.377 3.662 13.935 952 1HD1 LEU 125 1HD1 LEU 125 -1.703 4.843 13.474 953 2HD1 LEU 125 2HD1 LEU 125 -1.547 4.452 15.186 954 3HD1 LEU 125 3HD1 LEU 125 -1.250 6.099 14.629 955 1HD2 LEU 125 1HD2 LEU 125 1.903 5.163 12.807 956 2HD2 LEU 125 2HD2 LEU 125 0.288 5.299 12.112 957 3HD2 LEU 125 3HD2 LEU 125 0.883 6.544 13.211 958 H GLU 126 H GLU 126 2.877 7.621 16.945 959 HA GLU 126 HA GLU 126 3.623 6.225 19.249 960 1HB GLU 126 1HB GLU 126 4.022 9.176 18.751 961 2HB GLU 126 2HB GLU 126 4.989 8.140 19.789 962 1HG GLU 126 1HG GLU 126 5.850 6.954 17.891 963 2HG GLU 126 2HG GLU 126 4.773 7.837 16.806 964 H HIS 127 H HIS 127 1.492 8.995 18.796 965 HA HIS 127 HA HIS 127 -0.079 9.990 20.107 966 1HB HIS 127 1HB HIS 127 -0.756 7.547 20.414 967 2HB HIS 127 2HB HIS 127 0.127 7.585 21.933 968 HD1 HIS 127 HD1 HIS 127 -1.093 8.455 23.938 969 HD2 HIS 127 HD2 HIS 127 -3.048 9.315 20.368 970 HE1 HIS 127 HE1 HIS 127 -3.350 9.350 24.595 971 HE2 HIS 127 HE2 HIS 127 -4.582 9.677 22.419 972 H HIS 128 H HIS 128 2.797 10.342 20.533 973 HA HIS 128 HA HIS 128 3.227 10.509 23.377 974 1HB HIS 128 1HB HIS 128 5.016 9.929 21.708 975 2HB HIS 128 2HB HIS 128 4.970 11.602 21.163 976 HD1 HIS 128 HD1 HIS 128 6.833 12.905 22.141 977 HD2 HIS 128 HD2 HIS 128 5.438 9.988 24.757 978 HE1 HIS 128 HE1 HIS 128 8.242 13.120 24.210 979 HE2 HIS 128 HE2 HIS 128 7.230 11.496 25.855 980 H HIS 129 H HIS 129 1.718 12.474 21.130 981 HA HIS 129 HA HIS 129 2.267 14.894 22.703 982 1HB HIS 129 1HB HIS 129 2.626 15.010 20.217 983 2HB HIS 129 2HB HIS 129 0.901 14.722 20.006 984 HD1 HIS 129 HD1 HIS 129 3.364 17.337 20.997 985 HD2 HIS 129 HD2 HIS 129 -0.761 16.911 20.669 986 HE1 HIS 129 HE1 HIS 129 2.424 19.662 21.184 987 HE2 HIS 129 HE2 HIS 129 -0.072 19.340 21.248 988 H HIS 130 H HIS 130 0.776 15.649 24.019 989 HA HIS 130 HA HIS 130 -1.627 14.416 24.632 990 1HB HIS 130 1HB HIS 130 -0.600 15.969 26.165 991 2HB HIS 130 2HB HIS 130 -0.754 17.287 25.013 992 HD1 HIS 130 HD1 HIS 130 -2.757 15.244 27.453 993 HD2 HIS 130 HD2 HIS 130 -3.225 18.560 24.982 994 HE1 HIS 130 HE1 HIS 130 -4.941 16.300 28.130 995 HE2 HIS 130 HE2 HIS 130 -5.074 18.432 26.786 996 H HIS 131 H HIS 131 -3.303 14.087 23.352 997 HA HIS 131 HA HIS 131 -3.942 15.997 21.233 998 1HB HIS 131 1HB HIS 131 -3.889 13.535 20.761 999 2HB HIS 131 2HB HIS 131 -5.250 13.334 21.857 1000 HD1 HIS 131 HD1 HIS 131 -4.373 14.355 18.400 1001 HD2 HIS 131 HD2 HIS 131 -7.728 14.365 20.866 1002 HE1 HIS 131 HE1 HIS 131 -6.332 14.775 16.885 1003 HE2 HIS 131 HE2 HIS 131 -8.325 14.958 18.416 1004 H HIS 132 H HIS 132 -5.892 17.111 21.100 1005 HA HIS 132 HA HIS 132 -7.213 17.543 23.651 1006 1HB HIS 132 1HB HIS 132 -7.584 18.887 20.962 1007 2HB HIS 132 2HB HIS 132 -8.415 19.359 22.441 1008 HD1 HIS 132 HD1 HIS 132 -5.803 20.536 20.470 1009 HD2 HIS 132 HD2 HIS 132 -6.157 19.777 24.549 1010 HE1 HIS 132 HE1 HIS 132 -4.013 21.912 21.581 1011 HE2 HIS 132 HE2 HIS 132 -4.388 21.594 24.054 Start of MODEL 6 1 1H MET 1 1HT MET 1 -12.402 24.505 -27.010 2 2H MET 1 2HT MET 1 -11.421 23.430 -27.874 3 3H MET 1 3HT MET 1 -12.350 24.581 -28.703 4 HA MET 1 HA MET 1 -11.061 26.363 -27.849 5 1HB MET 1 1HB MET 1 -9.626 24.186 -26.317 6 2HB MET 1 2HB MET 1 -9.027 25.829 -26.475 7 1HG MET 1 1HG MET 1 -10.983 26.676 -25.316 8 2HG MET 1 2HG MET 1 -11.631 25.040 -25.195 9 1HE MET 1 1HE MET 1 -11.925 25.405 -22.559 10 2HE MET 1 2HE MET 1 -11.255 27.029 -22.719 11 3HE MET 1 3HE MET 1 -10.614 25.926 -21.501 12 HA PRO 2 HA PRO 2 -8.332 25.596 -31.306 13 1HB PRO 2 1HB PRO 2 -6.630 27.741 -30.213 14 2HB PRO 2 2HB PRO 2 -7.467 27.656 -31.765 15 1HG PRO 2 1HG PRO 2 -8.286 29.303 -29.811 16 2HG PRO 2 2HG PRO 2 -9.432 28.506 -30.905 17 1HD PRO 2 1HD PRO 2 -8.709 27.818 -28.084 18 2HD PRO 2 2HD PRO 2 -10.297 27.788 -28.882 19 H LEU 3 H LEU 3 -6.953 26.184 -28.100 20 HA LEU 3 HA LEU 3 -4.956 24.081 -28.629 21 1HB LEU 3 1HB LEU 3 -4.619 26.566 -26.937 22 2HB LEU 3 2HB LEU 3 -3.435 25.285 -27.103 23 HG LEU 3 HG LEU 3 -4.371 27.067 -29.355 24 1HD1 LEU 3 1HD1 LEU 3 -2.172 28.106 -29.180 25 2HD1 LEU 3 2HD1 LEU 3 -3.084 28.297 -27.682 26 3HD1 LEU 3 3HD1 LEU 3 -1.798 27.094 -27.784 27 1HD2 LEU 3 1HD2 LEU 3 -2.497 26.091 -30.589 28 2HD2 LEU 3 2HD2 LEU 3 -2.147 25.032 -29.223 29 3HD2 LEU 3 3HD2 LEU 3 -3.661 24.854 -30.110 30 H ASN 4 H ASN 4 -3.988 23.580 -26.212 31 HA ASN 4 HA ASN 4 -4.324 22.668 -24.161 32 1HB ASN 4 1HB ASN 4 -6.731 24.493 -24.178 33 2HB ASN 4 2HB ASN 4 -6.260 23.525 -22.785 34 1HD2 ASN 4 2HD2 ASN 4 -4.391 24.055 -21.656 35 2HD2 ASN 4 1HD2 ASN 4 -3.609 25.592 -21.832 36 H GLN 5 H GLN 5 -5.521 21.443 -26.613 37 HA GLN 5 HA GLN 5 -7.848 20.087 -25.475 38 1HB GLN 5 1HB GLN 5 -6.701 19.964 -28.266 39 2HB GLN 5 2HB GLN 5 -8.160 19.142 -27.733 40 1HG GLN 5 1HG GLN 5 -7.771 22.128 -27.720 41 2HG GLN 5 2HG GLN 5 -8.575 21.226 -28.998 42 1HE2 GLN 5 2HE2 GLN 5 -8.923 20.492 -25.572 43 2HE2 GLN 5 1HE2 GLN 5 -10.579 20.973 -25.449 44 H GLU 6 H GLU 6 -4.655 19.675 -25.274 45 HA GLU 6 HA GLU 6 -4.745 16.756 -25.497 46 1HB GLU 6 1HB GLU 6 -2.345 16.775 -25.207 47 2HB GLU 6 2HB GLU 6 -2.776 17.944 -26.444 48 1HG GLU 6 1HG GLU 6 -2.095 18.589 -23.581 49 2HG GLU 6 2HG GLU 6 -1.013 18.758 -24.961 50 H HIS 7 H HIS 7 -4.529 19.361 -23.210 51 HA HIS 7 HA HIS 7 -4.839 19.506 -20.980 52 1HB HIS 7 1HB HIS 7 -6.117 16.794 -21.366 53 2HB HIS 7 2HB HIS 7 -6.161 17.693 -19.853 54 HD1 HIS 7 HD1 HIS 7 -8.398 16.956 -22.329 55 HD2 HIS 7 HD2 HIS 7 -7.087 20.589 -20.786 56 HE1 HIS 7 HE1 HIS 7 -10.181 18.633 -22.923 57 HE2 HIS 7 HE2 HIS 7 -9.264 20.855 -22.152 58 HA PRO 8 HA PRO 8 -0.898 17.293 -20.187 59 1HB PRO 8 1HB PRO 8 0.142 19.351 -18.712 60 2HB PRO 8 2HB PRO 8 0.284 19.233 -20.469 61 1HG PRO 8 1HG PRO 8 -1.642 20.829 -18.826 62 2HG PRO 8 2HG PRO 8 -0.768 21.297 -20.297 63 1HD PRO 8 1HD PRO 8 -3.357 20.560 -20.347 64 2HD PRO 8 2HD PRO 8 -2.247 20.187 -21.681 65 H ASP 9 H ASP 9 -1.147 15.779 -18.671 66 HA ASP 9 HA ASP 9 -2.358 16.509 -16.107 67 1HB ASP 9 1HB ASP 9 -2.745 14.152 -15.759 68 2HB ASP 9 2HB ASP 9 -3.304 14.577 -17.372 69 H TYR 10 H TYR 10 -1.361 16.036 -14.146 70 HA TYR 10 HA TYR 10 1.534 15.531 -14.334 71 1HB TYR 10 1HB TYR 10 0.006 17.106 -12.246 72 2HB TYR 10 2HB TYR 10 1.738 16.795 -12.211 73 HD1 TYR 10 HD1 TYR 10 -0.865 18.934 -13.441 74 HD2 TYR 10 HD2 TYR 10 3.166 17.741 -14.087 75 HE1 TYR 10 HE1 TYR 10 -0.482 20.973 -14.760 76 HE2 TYR 10 HE2 TYR 10 3.562 19.777 -15.409 77 HH TYR 10 HH TYR 10 2.236 21.410 -16.733 78 H THR 11 H THR 11 1.994 13.520 -13.745 79 HA THR 11 HA THR 11 0.314 11.926 -12.092 80 HB THR 11 HB THR 11 3.215 11.418 -12.790 81 HG1 THR 11 HG1 THR 11 0.962 11.464 -14.360 82 1HG2 THR 11 1HG2 THR 11 2.592 9.062 -12.545 83 2HG2 THR 11 2HG2 THR 11 2.284 9.952 -11.052 84 3HG2 THR 11 3HG2 THR 11 0.947 9.535 -12.124 85 H TYR 12 H TYR 12 0.264 11.777 -9.934 86 HA TYR 12 HA TYR 12 1.687 13.534 -8.272 87 1HB TYR 12 1HB TYR 12 0.114 11.041 -7.605 88 2HB TYR 12 2HB TYR 12 0.740 12.158 -6.398 89 HD1 TYR 12 HD1 TYR 12 -0.133 14.500 -6.329 90 HD2 TYR 12 HD2 TYR 12 -1.896 11.503 -8.782 91 HE1 TYR 12 HE1 TYR 12 -2.177 15.854 -6.505 92 HE2 TYR 12 HE2 TYR 12 -3.943 12.853 -8.968 93 HH TYR 12 HH TYR 12 -5.100 14.632 -7.620 94 H ALA 13 H ALA 13 3.735 13.454 -7.703 95 HA ALA 13 HA ALA 13 5.055 10.834 -7.486 96 1HB ALA 13 1HB ALA 13 6.015 12.304 -9.191 97 2HB ALA 13 2HB ALA 13 6.295 13.543 -7.967 98 3HB ALA 13 3HB ALA 13 7.158 12.008 -7.880 99 H LEU 14 H LEU 14 5.473 10.164 -5.504 100 HA LEU 14 HA LEU 14 5.123 11.802 -3.204 101 1HB LEU 14 1HB LEU 14 4.640 9.420 -3.154 102 2HB LEU 14 2HB LEU 14 6.311 9.047 -3.527 103 HG LEU 14 HG LEU 14 6.989 10.016 -1.352 104 1HD1 LEU 14 1HD1 LEU 14 4.018 10.230 -0.881 105 2HD1 LEU 14 2HD1 LEU 14 5.272 10.461 0.337 106 3HD1 LEU 14 3HD1 LEU 14 5.151 11.573 -1.025 107 1HD2 LEU 14 1HD2 LEU 14 4.904 7.848 -1.200 108 2HD2 LEU 14 2HD2 LEU 14 6.610 7.626 -1.589 109 3HD2 LEU 14 3HD2 LEU 14 6.137 8.184 0.015 110 H ARG 15 H ARG 15 6.574 12.993 -2.109 111 HA ARG 15 HA ARG 15 9.334 12.949 -3.108 112 1HB ARG 15 1HB ARG 15 8.002 15.071 -3.322 113 2HB ARG 15 2HB ARG 15 7.956 15.160 -1.569 114 1HG ARG 15 1HG ARG 15 10.560 15.028 -3.048 115 2HG ARG 15 2HG ARG 15 9.706 16.553 -2.826 116 1HD ARG 15 1HD ARG 15 9.807 16.308 -0.427 117 2HD ARG 15 2HD ARG 15 10.526 14.707 -0.587 118 HE ARG 15 HE ARG 15 12.137 16.599 -1.920 119 1HH1 ARG 15 1HH1 ARG 15 11.235 15.574 1.307 120 2HH1 ARG 15 2HH1 ARG 15 12.707 16.135 2.036 121 1HH2 ARG 15 1HH2 ARG 15 14.084 17.329 -0.949 122 2HH2 ARG 15 2HH2 ARG 15 14.313 17.125 0.760 123 H ALA 16 H ALA 16 7.546 13.471 -0.051 124 HA ALA 16 HA ALA 16 9.961 12.522 1.349 125 1HB ALA 16 1HB ALA 16 9.595 14.918 1.665 126 2HB ALA 16 2HB ALA 16 7.989 14.586 2.311 127 3HB ALA 16 3HB ALA 16 9.420 14.027 3.176 128 H ALA 17 H ALA 17 9.756 10.913 2.728 129 HA ALA 17 HA ALA 17 7.166 10.333 3.955 130 1HB ALA 17 1HB ALA 17 7.316 8.835 2.016 131 2HB ALA 17 2HB ALA 17 8.872 8.242 2.596 132 3HB ALA 17 3HB ALA 17 7.408 7.935 3.530 133 H ASP 18 H ASP 18 7.597 10.560 6.056 134 HA ASP 18 HA ASP 18 10.150 9.520 7.095 135 1HB ASP 18 1HB ASP 18 10.023 12.089 6.668 136 2HB ASP 18 2HB ASP 18 8.977 12.113 8.081 137 H GLY 19 H GLY 19 9.828 10.146 9.739 138 1HA GLY 19 1HA GLY 19 7.957 8.143 10.540 139 2HA GLY 19 2HA GLY 19 8.928 9.149 11.606 140 H ARG 20 H ARG 20 5.855 8.509 10.425 141 HA ARG 20 HA ARG 20 3.806 9.261 11.042 142 1HB ARG 20 1HB ARG 20 4.910 9.407 13.287 143 2HB ARG 20 2HB ARG 20 5.281 11.089 12.949 144 1HG ARG 20 1HG ARG 20 2.999 11.701 12.997 145 2HG ARG 20 2HG ARG 20 2.475 10.015 12.963 146 1HD ARG 20 1HD ARG 20 2.261 10.979 15.203 147 2HD ARG 20 2HD ARG 20 3.425 9.659 15.174 148 HE ARG 20 HE ARG 20 4.341 12.450 15.033 149 1HH1 ARG 20 1HH1 ARG 20 4.297 9.328 16.631 150 2HH1 ARG 20 2HH1 ARG 20 5.553 9.752 17.759 151 1HH2 ARG 20 1HH2 ARG 20 5.964 13.018 16.538 152 2HH2 ARG 20 2HH2 ARG 20 6.474 11.855 17.729 153 H HIS 21 H HIS 21 5.615 10.658 9.019 154 HA HIS 21 HA HIS 21 3.728 12.766 8.419 155 1HB HIS 21 1HB HIS 21 5.355 13.892 9.872 156 2HB HIS 21 2HB HIS 21 6.659 13.427 8.794 157 HD1 HIS 21 HD1 HIS 21 3.873 15.859 9.228 158 HD2 HIS 21 HD2 HIS 21 6.798 14.953 6.409 159 HE1 HIS 21 HE1 HIS 21 3.962 17.836 7.674 160 HE2 HIS 21 HE2 HIS 21 5.909 17.368 6.145 161 H ALA 22 H ALA 22 3.631 13.256 6.293 162 HA ALA 22 HA ALA 22 5.612 12.153 4.454 163 1HB ALA 22 1HB ALA 22 3.943 10.993 3.110 164 2HB ALA 22 2HB ALA 22 3.986 10.343 4.749 165 3HB ALA 22 3HB ALA 22 2.687 11.434 4.268 166 H LYS 23 H LYS 23 5.388 12.984 2.272 167 HA LYS 23 HA LYS 23 3.573 15.224 1.895 168 1HB LYS 23 1HB LYS 23 5.550 16.178 3.049 169 2HB LYS 23 2HB LYS 23 6.573 15.581 1.752 170 1HG LYS 23 1HG LYS 23 5.645 17.095 0.194 171 2HG LYS 23 2HG LYS 23 4.316 17.511 1.280 172 1HD LYS 23 1HD LYS 23 5.954 18.476 2.859 173 2HD LYS 23 2HD LYS 23 7.240 18.128 1.704 174 1HE LYS 23 1HE LYS 23 4.865 19.814 0.980 175 2HE LYS 23 2HE LYS 23 6.292 20.500 1.747 176 1HZ LYS 23 1HZ LYS 23 7.626 19.664 -0.100 177 2HZ LYS 23 2HZ LYS 23 6.233 19.062 -0.857 178 3HZ LYS 23 3HZ LYS 23 6.424 20.733 -0.632 179 H VAL 24 H VAL 24 2.670 14.690 0.036 180 HA VAL 24 HA VAL 24 4.233 13.395 -2.062 181 HB VAL 24 HB VAL 24 1.280 14.066 -2.033 182 1HG1 VAL 24 1HG1 VAL 24 2.865 12.224 -3.819 183 2HG1 VAL 24 2HG1 VAL 24 1.118 12.462 -3.867 184 3HG1 VAL 24 3HG1 VAL 24 2.202 13.793 -4.277 185 1HG2 VAL 24 1HG2 VAL 24 1.830 12.502 -0.243 186 2HG2 VAL 24 2HG2 VAL 24 0.914 11.700 -1.521 187 3HG2 VAL 24 3HG2 VAL 24 2.657 11.458 -1.399 188 H ASN 25 H ASN 25 5.465 14.871 -3.055 189 HA ASN 25 HA ASN 25 6.139 16.676 -4.230 190 1HB ASN 25 1HB ASN 25 4.439 15.870 -5.830 191 2HB ASN 25 2HB ASN 25 3.222 16.857 -5.029 192 1HD2 ASN 25 2HD2 ASN 25 6.553 17.829 -5.636 193 2HD2 ASN 25 1HD2 ASN 25 6.162 19.085 -6.761 194 H GLU 26 H GLU 26 3.066 18.294 -3.950 195 HA GLU 26 HA GLU 26 4.339 20.186 -2.091 196 1HB GLU 26 1HB GLU 26 2.145 20.652 -4.117 197 2HB GLU 26 2HB GLU 26 2.766 21.867 -3.007 198 1HG GLU 26 1HG GLU 26 4.303 20.489 -5.195 199 2HG GLU 26 2HG GLU 26 3.727 22.155 -5.200 200 H GLN 27 H GLN 27 2.006 17.813 -2.240 201 HA GLN 27 HA GLN 27 0.223 19.139 -0.327 202 1HB GLN 27 1HB GLN 27 -0.807 18.090 -2.311 203 2HB GLN 27 2HB GLN 27 -0.138 16.537 -1.828 204 1HG GLN 27 1HG GLN 27 -1.490 16.543 0.178 205 2HG GLN 27 2HG GLN 27 -2.107 18.146 -0.215 206 1HE2 GLN 27 2HE2 GLN 27 -2.353 17.581 -3.063 207 2HE2 GLN 27 1HE2 GLN 27 -3.721 16.532 -3.226 208 H ILE 28 H ILE 28 0.482 18.766 1.760 209 HA ILE 28 HA ILE 28 2.191 16.578 2.635 210 HB ILE 28 HB ILE 28 0.890 18.823 4.187 211 1HG1 ILE 28 1HG1 ILE 28 3.748 18.311 3.329 212 2HG1 ILE 28 2HG1 ILE 28 2.687 19.589 2.745 213 1HG2 ILE 28 1HG2 ILE 28 2.258 18.098 6.085 214 2HG2 ILE 28 2HG2 ILE 28 1.111 16.851 5.596 215 3HG2 ILE 28 3HG2 ILE 28 2.812 16.707 5.153 216 1HD1 ILE 28 1HD1 ILE 28 4.284 20.487 4.304 217 2HD1 ILE 28 2HD1 ILE 28 2.667 20.564 5.005 218 3HD1 ILE 28 3HD1 ILE 28 3.796 19.314 5.529 219 H LEU 29 H LEU 29 1.442 14.697 3.356 220 HA LEU 29 HA LEU 29 -1.416 14.534 4.032 221 1HB LEU 29 1HB LEU 29 0.302 12.548 2.553 222 2HB LEU 29 2HB LEU 29 -1.290 12.168 3.182 223 HG LEU 29 HG LEU 29 -0.686 14.267 1.094 224 1HD1 LEU 29 1HD1 LEU 29 -0.401 11.989 0.264 225 2HD1 LEU 29 2HD1 LEU 29 -2.013 11.573 0.844 226 3HD1 LEU 29 3HD1 LEU 29 -1.818 12.761 -0.446 227 1HD2 LEU 29 1HD2 LEU 29 -3.315 13.282 2.197 228 2HD2 LEU 29 2HD2 LEU 29 -2.596 14.866 2.486 229 3HD2 LEU 29 3HD2 LEU 29 -3.114 14.417 0.862 230 H GLN 30 H GLN 30 -1.767 14.046 6.044 231 HA GLN 30 HA GLN 30 0.071 12.205 7.414 232 1HB GLN 30 1HB GLN 30 -1.166 13.300 9.503 233 2HB GLN 30 2HB GLN 30 0.270 14.016 8.791 234 1HG GLN 30 1HG GLN 30 -1.388 15.707 9.269 235 2HG GLN 30 2HG GLN 30 -1.122 15.575 7.534 236 1HE2 GLN 30 2HE2 GLN 30 -3.334 15.004 10.150 237 2HE2 GLN 30 1HE2 GLN 30 -4.747 14.765 9.170 238 H GLN 31 H GLN 31 -2.050 11.517 5.665 239 HA GLN 31 HA GLN 31 -3.926 10.187 7.503 240 1HB GLN 31 1HB GLN 31 -4.395 11.251 4.713 241 2HB GLN 31 2HB GLN 31 -5.528 10.213 5.565 242 1HG GLN 31 1HG GLN 31 -6.005 11.861 7.164 243 2HG GLN 31 2HG GLN 31 -4.605 12.830 6.702 244 1HE2 GLN 31 2HE2 GLN 31 -7.480 13.497 6.843 245 2HE2 GLN 31 1HE2 GLN 31 -7.875 14.115 5.271 246 H SER 32 H SER 32 -5.051 8.335 6.032 247 HA SER 32 HA SER 32 -2.842 6.666 5.081 248 1HB SER 32 1HB SER 32 -5.690 5.848 5.702 249 2HB SER 32 2HB SER 32 -4.297 4.785 5.485 250 HG SER 32 HG SER 32 -3.657 6.524 7.361 251 H PHE 33 H PHE 33 -2.616 6.241 2.957 252 HA PHE 33 HA PHE 33 -4.889 6.567 1.155 253 1HB PHE 33 1HB PHE 33 -3.614 8.096 -0.327 254 2HB PHE 33 2HB PHE 33 -3.964 8.814 1.241 255 HD1 PHE 33 HD1 PHE 33 -1.363 7.610 -1.002 256 HD2 PHE 33 HD2 PHE 33 -2.174 9.168 2.874 257 HE1 PHE 33 HE1 PHE 33 1.027 8.108 -0.705 258 HE2 PHE 33 HE2 PHE 33 0.215 9.668 3.176 259 HZ PHE 33 HZ PHE 33 1.820 9.138 1.386 260 H ILE 34 H ILE 34 -4.314 5.915 -1.103 261 HA ILE 34 HA ILE 34 -2.107 3.968 -1.109 262 HB ILE 34 HB ILE 34 -3.449 2.611 -2.730 263 1HG1 ILE 34 1HG1 ILE 34 -5.733 4.361 -1.788 264 2HG1 ILE 34 2HG1 ILE 34 -5.027 4.396 -3.400 265 1HG2 ILE 34 1HG2 ILE 34 -4.864 1.574 -1.008 266 2HG2 ILE 34 2HG2 ILE 34 -3.246 1.943 -0.413 267 3HG2 ILE 34 3HG2 ILE 34 -4.605 2.975 0.029 268 1HD1 ILE 34 1HD1 ILE 34 -5.741 2.090 -3.758 269 2HD1 ILE 34 2HD1 ILE 34 -6.455 2.065 -2.146 270 3HD1 ILE 34 3HD1 ILE 34 -7.101 3.146 -3.380 271 H LEU 35 H LEU 35 -0.667 4.170 -2.671 272 HA LEU 35 HA LEU 35 -1.281 5.993 -4.905 273 1HB LEU 35 1HB LEU 35 0.374 6.939 -3.398 274 2HB LEU 35 2HB LEU 35 1.336 5.477 -3.487 275 HG LEU 35 HG LEU 35 1.785 5.926 -5.873 276 1HD1 LEU 35 1HD1 LEU 35 -0.225 7.182 -6.416 277 2HD1 LEU 35 2HD1 LEU 35 0.303 8.503 -5.374 278 3HD1 LEU 35 3HD1 LEU 35 1.221 8.105 -6.826 279 1HD2 LEU 35 1HD2 LEU 35 2.461 8.185 -3.994 280 2HD2 LEU 35 2HD2 LEU 35 3.365 6.684 -4.201 281 3HD2 LEU 35 3HD2 LEU 35 3.273 7.847 -5.524 282 H MET 36 H MET 36 -0.972 5.271 -6.934 283 HA MET 36 HA MET 36 0.639 2.850 -7.340 284 1HB MET 36 1HB MET 36 -1.910 2.400 -7.215 285 2HB MET 36 2HB MET 36 -2.004 3.241 -8.754 286 1HG MET 36 1HG MET 36 -0.689 1.601 -9.837 287 2HG MET 36 2HG MET 36 -0.225 0.865 -8.306 288 1HE MET 36 1HE MET 36 -4.415 0.545 -10.217 289 2HE MET 36 2HE MET 36 -3.047 1.392 -10.938 290 3HE MET 36 3HE MET 36 -3.834 2.051 -9.505 291 HA PRO 37 HA PRO 37 2.486 5.279 -10.558 292 1HB PRO 37 1HB PRO 37 2.555 2.832 -12.228 293 2HB PRO 37 2HB PRO 37 3.879 3.867 -11.687 294 1HG PRO 37 1HG PRO 37 3.502 1.465 -10.605 295 2HG PRO 37 2HG PRO 37 4.011 2.844 -9.612 296 1HD PRO 37 1HD PRO 37 1.300 1.603 -9.885 297 2HD PRO 37 2HD PRO 37 2.125 2.201 -8.430 298 H ASP 38 H ASP 38 -0.014 5.927 -10.694 299 HA ASP 38 HA ASP 38 -0.476 6.457 -13.443 300 1HB ASP 38 1HB ASP 38 -1.417 4.181 -13.405 301 2HB ASP 38 2HB ASP 38 -2.469 4.634 -12.066 302 H GLU 39 H GLU 39 -2.083 6.179 -10.281 303 HA GLU 39 HA GLU 39 -2.434 9.036 -10.189 304 1HB GLU 39 1HB GLU 39 -4.875 8.934 -9.774 305 2HB GLU 39 2HB GLU 39 -4.435 8.479 -11.413 306 1HG GLU 39 1HG GLU 39 -4.695 6.117 -10.822 307 2HG GLU 39 2HG GLU 39 -5.148 6.584 -9.182 308 H LEU 40 H LEU 40 -3.637 9.634 -8.102 309 HA LEU 40 HA LEU 40 -2.678 7.869 -5.951 310 1HB LEU 40 1HB LEU 40 -1.438 9.942 -5.993 311 2HB LEU 40 2HB LEU 40 -2.917 10.877 -6.068 312 HG LEU 40 HG LEU 40 -3.486 10.098 -3.776 313 1HD1 LEU 40 1HD1 LEU 40 -0.710 8.924 -3.839 314 2HD1 LEU 40 2HD1 LEU 40 -1.746 9.050 -2.417 315 3HD1 LEU 40 3HD1 LEU 40 -2.222 8.018 -3.766 316 1HD2 LEU 40 1HD2 LEU 40 -0.822 11.480 -4.076 317 2HD2 LEU 40 2HD2 LEU 40 -2.408 12.250 -4.117 318 3HD2 LEU 40 3HD2 LEU 40 -1.832 11.498 -2.630 319 H VAL 41 H VAL 41 -4.186 7.052 -4.641 320 HA VAL 41 HA VAL 41 -6.857 8.285 -4.705 321 HB VAL 41 HB VAL 41 -6.174 5.439 -3.950 322 1HG1 VAL 41 1HG1 VAL 41 -8.587 5.065 -4.094 323 2HG1 VAL 41 2HG1 VAL 41 -8.191 6.273 -2.872 324 3HG1 VAL 41 3HG1 VAL 41 -8.833 6.777 -4.435 325 1HG2 VAL 41 1HG2 VAL 41 -7.357 6.506 -6.512 326 2HG2 VAL 41 2HG2 VAL 41 -5.741 5.824 -6.317 327 3HG2 VAL 41 3HG2 VAL 41 -7.163 4.802 -6.096 328 H GLU 42 H GLU 42 -6.903 9.659 -3.046 329 HA GLU 42 HA GLU 42 -5.916 8.777 -0.432 330 1HB GLU 42 1HB GLU 42 -6.728 11.331 -0.007 331 2HB GLU 42 2HB GLU 42 -5.104 10.881 -0.499 332 1HG GLU 42 1HG GLU 42 -5.942 12.740 -1.814 333 2HG GLU 42 2HG GLU 42 -5.667 11.323 -2.824 334 H HIS 43 H HIS 43 -8.644 8.587 -2.168 335 HA HIS 43 HA HIS 43 -10.550 9.139 -0.056 336 1HB HIS 43 1HB HIS 43 -10.974 7.756 -2.719 337 2HB HIS 43 2HB HIS 43 -12.237 8.319 -1.634 338 HD1 HIS 43 HD1 HIS 43 -10.873 9.223 -4.682 339 HD2 HIS 43 HD2 HIS 43 -11.616 11.364 -1.191 340 HE1 HIS 43 HE1 HIS 43 -10.975 11.637 -5.372 341 HE2 HIS 43 HE2 HIS 43 -11.189 12.919 -3.217 342 H TRP 44 H TRP 44 -8.983 7.565 1.190 343 HA TRP 44 HA TRP 44 -10.036 4.829 0.926 344 1HB TRP 44 1HB TRP 44 -7.533 5.280 0.465 345 2HB TRP 44 2HB TRP 44 -7.396 5.517 2.203 346 HD1 TRP 44 HD1 TRP 44 -9.522 2.778 0.521 347 HE1 TRP 44 HE1 TRP 44 -8.624 0.488 1.256 348 HE3 TRP 44 HE3 TRP 44 -5.420 4.331 3.148 349 HZ2 TRP 44 HZ2 TRP 44 -6.452 -0.532 2.751 350 HZ3 TRP 44 HZ3 TRP 44 -3.983 2.633 4.199 351 HH2 TRP 44 HH2 TRP 44 -4.489 0.252 4.004 352 HA PRO 45 HA PRO 45 -11.698 6.207 4.894 353 1HB PRO 45 1HB PRO 45 -13.519 3.951 4.651 354 2HB PRO 45 2HB PRO 45 -13.879 5.677 4.615 355 1HG PRO 45 1HG PRO 45 -14.100 4.074 2.433 356 2HG PRO 45 2HG PRO 45 -13.702 5.799 2.330 357 1HD PRO 45 1HD PRO 45 -11.883 3.421 2.174 358 2HD PRO 45 2HD PRO 45 -11.877 4.910 1.203 359 H VAL 46 H VAL 46 -9.513 5.267 5.596 360 HA VAL 46 HA VAL 46 -10.122 3.043 7.421 361 HB VAL 46 HB VAL 46 -7.513 3.399 5.921 362 1HG1 VAL 46 1HG1 VAL 46 -7.131 2.662 8.216 363 2HG1 VAL 46 2HG1 VAL 46 -8.285 1.347 7.995 364 3HG1 VAL 46 3HG1 VAL 46 -6.782 1.366 7.071 365 1HG2 VAL 46 1HG2 VAL 46 -8.022 1.221 4.939 366 2HG2 VAL 46 2HG2 VAL 46 -9.560 1.185 5.803 367 3HG2 VAL 46 3HG2 VAL 46 -9.276 2.400 4.556 368 HA PRO 47 HA PRO 47 -8.678 6.234 10.253 369 1HB PRO 47 1HB PRO 47 -9.311 4.258 12.315 370 2HB PRO 47 2HB PRO 47 -10.038 5.841 12.029 371 1HG PRO 47 1HG PRO 47 -11.372 3.540 11.569 372 2HG PRO 47 2HG PRO 47 -11.628 4.998 10.592 373 1HD PRO 47 1HD PRO 47 -9.990 2.564 9.972 374 2HD PRO 47 2HD PRO 47 -11.090 3.480 8.917 375 H SER 48 H SER 48 -6.643 5.110 9.063 376 HA SER 48 HA SER 48 -4.456 4.625 9.286 377 1HB SER 48 1HB SER 48 -4.948 4.749 12.271 378 2HB SER 48 2HB SER 48 -3.372 4.772 11.476 379 HG SER 48 HG SER 48 -4.602 6.669 10.300 380 H LEU 49 H LEU 49 -5.652 2.860 12.154 381 HA LEU 49 HA LEU 49 -5.274 0.342 10.763 382 1HB LEU 49 1HB LEU 49 -3.036 1.096 11.724 383 2HB LEU 49 2HB LEU 49 -3.746 0.868 13.309 384 HG LEU 49 HG LEU 49 -4.088 -1.520 12.811 385 1HD1 LEU 49 1HD1 LEU 49 -3.064 -2.508 10.825 386 2HD1 LEU 49 2HD1 LEU 49 -4.332 -1.363 10.392 387 3HD1 LEU 49 3HD1 LEU 49 -2.638 -0.899 10.241 388 1HD2 LEU 49 1HD2 LEU 49 -1.268 -0.545 12.374 389 2HD2 LEU 49 2HD2 LEU 49 -2.051 -0.808 13.932 390 3HD2 LEU 49 3HD2 LEU 49 -1.729 -2.174 12.865 391 H GLY 50 H GLY 50 -5.717 -1.513 12.443 392 1HA GLY 50 1HA GLY 50 -7.034 -2.358 14.177 393 2HA GLY 50 2HA GLY 50 -7.592 -0.726 14.518 394 H GLN 51 H GLN 51 -8.720 0.173 12.332 395 HA GLN 51 HA GLN 51 -10.954 -1.666 11.922 396 1HB GLN 51 1HB GLN 51 -10.669 1.302 11.463 397 2HB GLN 51 2HB GLN 51 -12.095 0.384 10.995 398 1HG GLN 51 1HG GLN 51 -12.466 -0.259 13.303 399 2HG GLN 51 2HG GLN 51 -11.010 0.604 13.791 400 1HE2 GLN 51 2HE2 GLN 51 -12.148 1.896 15.195 401 2HE2 GLN 51 1HE2 GLN 51 -13.173 3.185 14.650 402 H LEU 52 H LEU 52 -8.308 -1.803 10.536 403 HA LEU 52 HA LEU 52 -8.827 -1.302 7.771 404 1HB LEU 52 1HB LEU 52 -6.541 -1.506 8.682 405 2HB LEU 52 2HB LEU 52 -6.853 -3.186 9.076 406 HG LEU 52 HG LEU 52 -7.115 -3.687 6.671 407 1HD1 LEU 52 1HD1 LEU 52 -7.862 -1.500 5.910 408 2HD1 LEU 52 2HD1 LEU 52 -6.282 -0.815 6.290 409 3HD1 LEU 52 3HD1 LEU 52 -6.435 -2.022 5.014 410 1HD2 LEU 52 1HD2 LEU 52 -4.528 -2.321 7.405 411 2HD2 LEU 52 2HD2 LEU 52 -4.954 -3.998 7.746 412 3HD2 LEU 52 3HD2 LEU 52 -4.750 -3.462 6.078 413 H GLN 53 H GLN 53 -10.190 -2.421 6.527 414 HA GLN 53 HA GLN 53 -10.909 -5.157 7.323 415 1HB GLN 53 1HB GLN 53 -12.866 -2.986 6.540 416 2HB GLN 53 2HB GLN 53 -13.274 -4.650 6.938 417 1HG GLN 53 1HG GLN 53 -12.530 -4.320 9.215 418 2HG GLN 53 2HG GLN 53 -12.011 -2.680 8.831 419 1HE2 GLN 53 2HE2 GLN 53 -13.364 -1.716 10.308 420 2HE2 GLN 53 1HE2 GLN 53 -15.086 -1.664 10.119 421 HA PRO 54 HA PRO 54 -10.458 -6.364 3.099 422 1HB PRO 54 1HB PRO 54 -13.099 -7.702 3.407 423 2HB PRO 54 2HB PRO 54 -11.556 -8.367 2.861 424 1HG PRO 54 1HG PRO 54 -12.473 -8.903 5.297 425 2HG PRO 54 2HG PRO 54 -10.746 -8.611 5.018 426 1HD PRO 54 1HD PRO 54 -12.806 -6.811 6.216 427 2HD PRO 54 2HD PRO 54 -11.095 -7.013 6.645 428 H ALA 55 H ALA 55 -13.634 -5.115 4.086 429 HA ALA 55 HA ALA 55 -14.547 -4.550 1.460 430 1HB ALA 55 1HB ALA 55 -16.255 -3.191 2.533 431 2HB ALA 55 2HB ALA 55 -16.058 -4.725 3.381 432 3HB ALA 55 3HB ALA 55 -15.366 -3.250 4.055 433 H HIS 56 H HIS 56 -12.547 -2.795 3.729 434 HA HIS 56 HA HIS 56 -12.704 -0.334 2.217 435 1HB HIS 56 1HB HIS 56 -11.107 -1.147 4.643 436 2HB HIS 56 2HB HIS 56 -10.880 0.405 3.843 437 HD1 HIS 56 HD1 HIS 56 -12.216 -0.453 6.787 438 HD2 HIS 56 HD2 HIS 56 -14.009 1.251 3.445 439 HE1 HIS 56 HE1 HIS 56 -14.271 0.710 7.644 440 HE2 HIS 56 HE2 HIS 56 -15.333 1.761 5.612 441 H MET 57 H MET 57 -10.611 -3.107 2.441 442 HA MET 57 HA MET 57 -8.577 -1.831 0.787 443 1HB MET 57 1HB MET 57 -8.020 -3.388 2.707 444 2HB MET 57 2HB MET 57 -8.662 -4.701 1.729 445 1HG MET 57 1HG MET 57 -6.982 -4.252 0.019 446 2HG MET 57 2HG MET 57 -6.343 -2.927 0.990 447 1HE MET 57 1HE MET 57 -3.893 -3.850 1.019 448 2HE MET 57 2HE MET 57 -4.415 -5.137 -0.072 449 3HE MET 57 3HE MET 57 -3.483 -5.529 1.373 450 H ASP 58 H ASP 58 -11.483 -3.222 0.293 451 HA ASP 58 HA ASP 58 -11.158 -5.096 -1.738 452 1HB ASP 58 1HB ASP 58 -13.284 -4.734 -0.578 453 2HB ASP 58 2HB ASP 58 -13.429 -3.141 -1.315 454 H ALA 59 H ALA 59 -11.445 -1.580 -1.919 455 HA ALA 59 HA ALA 59 -11.526 -1.323 -4.705 456 1HB ALA 59 1HB ALA 59 -10.770 0.977 -4.342 457 2HB ALA 59 2HB ALA 59 -12.030 0.525 -3.194 458 3HB ALA 59 3HB ALA 59 -10.344 0.577 -2.677 459 H VAL 60 H VAL 60 -8.830 -1.649 -2.469 460 HA VAL 60 HA VAL 60 -6.755 -1.092 -4.312 461 HB VAL 60 HB VAL 60 -6.608 -2.852 -1.853 462 1HG1 VAL 60 1HG1 VAL 60 -4.668 -3.061 -3.307 463 2HG1 VAL 60 2HG1 VAL 60 -4.467 -1.309 -3.314 464 3HG1 VAL 60 3HG1 VAL 60 -4.244 -2.216 -1.818 465 1HG2 VAL 60 1HG2 VAL 60 -5.897 -0.828 -0.657 466 2HG2 VAL 60 2HG2 VAL 60 -6.228 0.129 -2.100 467 3HG2 VAL 60 3HG2 VAL 60 -7.547 -0.694 -1.266 468 H LEU 61 H LEU 61 -8.353 -4.060 -3.278 469 HA LEU 61 HA LEU 61 -6.766 -5.818 -4.858 470 1HB LEU 61 1HB LEU 61 -9.543 -6.196 -3.733 471 2HB LEU 61 2HB LEU 61 -8.525 -7.470 -4.375 472 HG LEU 61 HG LEU 61 -7.886 -5.808 -1.935 473 1HD1 LEU 61 1HD1 LEU 61 -8.869 -8.646 -2.177 474 2HD1 LEU 61 2HD1 LEU 61 -8.358 -7.857 -0.685 475 3HD1 LEU 61 3HD1 LEU 61 -9.783 -7.276 -1.547 476 1HD2 LEU 61 1HD2 LEU 61 -6.106 -7.452 -1.577 477 2HD2 LEU 61 2HD2 LEU 61 -6.516 -8.227 -3.107 478 3HD2 LEU 61 3HD2 LEU 61 -5.887 -6.580 -3.094 479 H ALA 62 H ALA 62 -9.721 -4.019 -5.368 480 HA ALA 62 HA ALA 62 -10.531 -5.249 -7.778 481 1HB ALA 62 1HB ALA 62 -12.019 -3.869 -6.396 482 2HB ALA 62 2HB ALA 62 -11.087 -2.438 -6.838 483 3HB ALA 62 3HB ALA 62 -11.978 -3.327 -8.074 484 H LEU 63 H LEU 63 -8.143 -2.840 -7.054 485 HA LEU 63 HA LEU 63 -7.832 -1.909 -9.753 486 1HB LEU 63 1HB LEU 63 -6.016 -1.672 -7.354 487 2HB LEU 63 2HB LEU 63 -5.762 -0.852 -8.883 488 HG LEU 63 HG LEU 63 -8.121 -0.425 -7.043 489 1HD1 LEU 63 1HD1 LEU 63 -7.112 1.765 -6.630 490 2HD1 LEU 63 2HD1 LEU 63 -6.058 0.454 -6.103 491 3HD1 LEU 63 3HD1 LEU 63 -5.718 1.306 -7.609 492 1HD2 LEU 63 1HD2 LEU 63 -8.667 1.433 -8.522 493 2HD2 LEU 63 2HD2 LEU 63 -7.313 1.011 -9.570 494 3HD2 LEU 63 3HD2 LEU 63 -8.678 -0.094 -9.403 495 H ASN 64 H ASN 64 -7.369 -4.820 -8.607 496 HA ASN 64 HA ASN 64 -5.827 -6.506 -8.722 497 1HB ASN 64 1HB ASN 64 -5.918 -7.536 -10.849 498 2HB ASN 64 2HB ASN 64 -7.432 -6.694 -10.607 499 1HD2 ASN 64 2HD2 ASN 64 -6.162 -4.073 -11.367 500 2HD2 ASN 64 1HD2 ASN 64 -6.007 -4.154 -13.086 501 HA PRO 65 HA PRO 65 -1.857 -4.376 -9.505 502 1HB PRO 65 1HB PRO 65 -0.907 -4.404 -7.002 503 2HB PRO 65 2HB PRO 65 -2.045 -3.165 -7.539 504 1HG PRO 65 1HG PRO 65 -2.530 -5.591 -5.874 505 2HG PRO 65 2HG PRO 65 -3.240 -3.974 -5.735 506 1HD PRO 65 1HD PRO 65 -4.453 -6.168 -6.942 507 2HD PRO 65 2HD PRO 65 -4.911 -4.472 -7.195 508 H ALA 66 H ALA 66 0.360 -5.287 -9.070 509 HA ALA 66 HA ALA 66 0.274 -8.181 -9.287 510 1HB ALA 66 1HB ALA 66 2.639 -8.008 -9.869 511 2HB ALA 66 2HB ALA 66 1.671 -6.892 -10.834 512 3HB ALA 66 3HB ALA 66 2.618 -6.289 -9.475 513 H VAL 67 H VAL 67 1.652 -5.716 -7.176 514 HA VAL 67 HA VAL 67 1.707 -7.654 -4.994 515 HB VAL 67 HB VAL 67 3.976 -7.733 -5.929 516 1HG1 VAL 67 1HG1 VAL 67 4.086 -5.557 -6.970 517 2HG1 VAL 67 2HG1 VAL 67 4.061 -4.771 -5.391 518 3HG1 VAL 67 3HG1 VAL 67 5.440 -5.766 -5.859 519 1HG2 VAL 67 1HG2 VAL 67 3.875 -6.286 -3.286 520 2HG2 VAL 67 2HG2 VAL 67 3.729 -8.027 -3.530 521 3HG2 VAL 67 3HG2 VAL 67 5.246 -7.208 -3.903 522 H ILE 68 H ILE 68 1.677 -6.618 -2.885 523 HA ILE 68 HA ILE 68 0.958 -3.761 -3.016 524 HB ILE 68 HB ILE 68 -0.361 -5.829 -1.243 525 1HG1 ILE 68 1HG1 ILE 68 -1.477 -4.324 -3.623 526 2HG1 ILE 68 2HG1 ILE 68 -1.011 -6.022 -3.631 527 1HG2 ILE 68 1HG2 ILE 68 -1.884 -4.000 -0.641 528 2HG2 ILE 68 2HG2 ILE 68 -0.218 -3.634 -0.196 529 3HG2 ILE 68 3HG2 ILE 68 -0.933 -2.890 -1.626 530 1HD1 ILE 68 1HD1 ILE 68 -3.414 -5.770 -3.421 531 2HD1 ILE 68 2HD1 ILE 68 -2.734 -6.493 -1.964 532 3HD1 ILE 68 3HD1 ILE 68 -3.201 -4.793 -1.967 533 H LEU 69 H LEU 69 2.204 -2.538 -1.790 534 HA LEU 69 HA LEU 69 3.678 -3.786 0.422 535 1HB LEU 69 1HB LEU 69 4.156 -1.194 -1.056 536 2HB LEU 69 2HB LEU 69 5.086 -1.723 0.334 537 HG LEU 69 HG LEU 69 4.934 -3.188 -2.303 538 1HD1 LEU 69 1HD1 LEU 69 7.125 -1.485 -1.126 539 2HD1 LEU 69 2HD1 LEU 69 7.247 -2.441 -2.603 540 3HD1 LEU 69 3HD1 LEU 69 6.127 -1.081 -2.523 541 1HD2 LEU 69 1HD2 LEU 69 6.640 -3.667 0.130 542 2HD2 LEU 69 2HD2 LEU 69 5.313 -4.684 -0.428 543 3HD2 LEU 69 3HD2 LEU 69 6.772 -4.522 -1.405 544 H LEU 70 H LEU 70 3.100 -3.352 2.437 545 HA LEU 70 HA LEU 70 0.972 -1.371 2.823 546 1HB LEU 70 1HB LEU 70 0.936 -3.942 3.486 547 2HB LEU 70 2HB LEU 70 1.766 -3.355 4.911 548 HG LEU 70 HG LEU 70 -0.641 -3.600 5.293 549 1HD1 LEU 70 1HD1 LEU 70 0.247 -0.724 5.277 550 2HD1 LEU 70 2HD1 LEU 70 -1.099 -1.386 6.203 551 3HD1 LEU 70 3HD1 LEU 70 0.551 -1.901 6.554 552 1HD2 LEU 70 1HD2 LEU 70 -2.237 -2.141 4.165 553 2HD2 LEU 70 2HD2 LEU 70 -0.944 -1.508 3.146 554 3HD2 LEU 70 3HD2 LEU 70 -1.415 -3.203 3.021 555 H GLY 71 H GLY 71 1.863 0.552 3.300 556 1HA GLY 71 1HA GLY 71 4.194 0.778 5.002 557 2HA GLY 71 2HA GLY 71 3.251 2.105 4.328 558 H THR 72 H THR 72 3.735 0.034 7.021 559 HA THR 72 HA THR 72 1.211 0.736 8.287 560 HB THR 72 HB THR 72 3.386 -0.846 9.623 561 HG1 THR 72 HG1 THR 72 2.361 -1.424 7.218 562 1HG2 THR 72 1HG2 THR 72 1.454 -2.100 10.496 563 2HG2 THR 72 2HG2 THR 72 1.348 -0.380 10.879 564 3HG2 THR 72 3HG2 THR 72 0.373 -1.057 9.572 565 H GLY 73 H GLY 73 2.167 3.094 8.127 566 1HA GLY 73 1HA GLY 73 3.084 4.925 9.165 567 2HA GLY 73 2HA GLY 73 2.910 4.022 10.666 568 H GLU 74 H GLU 74 4.729 3.733 11.732 569 HA GLU 74 HA GLU 74 7.167 3.147 10.203 570 1HB GLU 74 1HB GLU 74 6.830 5.186 12.383 571 2HB GLU 74 2HB GLU 74 8.392 4.421 12.103 572 1HG GLU 74 1HG GLU 74 6.807 5.973 10.063 573 2HG GLU 74 2HG GLU 74 8.208 6.569 10.957 574 H ARG 75 H ARG 75 5.009 1.831 11.985 575 HA ARG 75 HA ARG 75 6.923 0.144 13.446 576 1HB ARG 75 1HB ARG 75 4.212 1.097 14.377 577 2HB ARG 75 2HB ARG 75 5.056 -0.258 15.113 578 1HG ARG 75 1HG ARG 75 6.048 2.582 14.985 579 2HG ARG 75 2HG ARG 75 5.353 1.785 16.397 580 1HD ARG 75 1HD ARG 75 7.950 1.166 15.004 581 2HD ARG 75 2HD ARG 75 7.712 1.723 16.660 582 HE ARG 75 HE ARG 75 7.216 -0.982 15.633 583 1HH1 ARG 75 1HH1 ARG 75 7.340 1.242 18.341 584 2HH1 ARG 75 2HH1 ARG 75 7.333 -0.019 19.533 585 1HH2 ARG 75 1HH2 ARG 75 7.150 -2.638 17.205 586 2HH2 ARG 75 2HH2 ARG 75 7.221 -2.220 18.897 587 H GLN 76 H GLN 76 6.891 -1.858 12.655 588 HA GLN 76 HA GLN 76 4.840 -2.706 10.842 589 1HB GLN 76 1HB GLN 76 7.328 -3.364 10.806 590 2HB GLN 76 2HB GLN 76 6.925 -4.492 12.091 591 1HG GLN 76 1HG GLN 76 5.467 -4.516 9.472 592 2HG GLN 76 2HG GLN 76 6.998 -5.356 9.684 593 1HE2 GLN 76 2HE2 GLN 76 6.446 -6.117 12.436 594 2HE2 GLN 76 1HE2 GLN 76 5.267 -7.377 12.359 595 H GLN 77 H GLN 77 2.909 -3.222 11.562 596 HA GLN 77 HA GLN 77 2.700 -4.802 14.034 597 1HB GLN 77 1HB GLN 77 0.796 -2.665 13.053 598 2HB GLN 77 2HB GLN 77 0.551 -3.671 14.475 599 1HG GLN 77 1HG GLN 77 2.592 -2.707 15.466 600 2HG GLN 77 2HG GLN 77 2.738 -1.644 14.066 601 1HE2 GLN 77 2HE2 GLN 77 -0.320 -2.543 15.499 602 2HE2 GLN 77 1HE2 GLN 77 -0.696 -0.982 16.140 603 H PHE 78 H PHE 78 0.935 -6.281 14.119 604 HA PHE 78 HA PHE 78 0.439 -7.529 11.585 605 1HB PHE 78 1HB PHE 78 -0.535 -8.199 14.367 606 2HB PHE 78 2HB PHE 78 -0.843 -9.188 12.943 607 HD1 PHE 78 HD1 PHE 78 1.059 -10.265 11.762 608 HD2 PHE 78 HD2 PHE 78 1.534 -8.294 15.505 609 HE1 PHE 78 HE1 PHE 78 3.201 -11.428 12.097 610 HE2 PHE 78 HE2 PHE 78 3.677 -9.452 15.847 611 HZ PHE 78 HZ PHE 78 4.513 -11.021 14.141 612 HA PRO 79 HA PRO 79 -3.373 -5.280 10.948 613 1HB PRO 79 1HB PRO 79 -3.680 -6.815 8.510 614 2HB PRO 79 2HB PRO 79 -3.302 -5.101 8.695 615 1HG PRO 79 1HG PRO 79 -1.530 -6.943 7.734 616 2HG PRO 79 2HG PRO 79 -1.049 -5.452 8.564 617 1HD PRO 79 1HD PRO 79 -1.206 -8.249 9.621 618 2HD PRO 79 2HD PRO 79 0.008 -6.989 9.928 619 H SER 80 H SER 80 -5.620 -6.005 10.101 620 HA SER 80 HA SER 80 -6.672 -7.977 11.790 621 1HB SER 80 1HB SER 80 -7.957 -6.984 9.241 622 2HB SER 80 2HB SER 80 -8.754 -7.526 10.718 623 HG SER 80 HG SER 80 -8.560 -5.162 10.331 624 H THR 81 H THR 81 -7.272 -10.102 11.432 625 HA THR 81 HA THR 81 -5.643 -11.571 9.649 626 HB THR 81 HB THR 81 -6.425 -12.502 11.791 627 HG1 THR 81 HG1 THR 81 -7.557 -14.447 10.396 628 1HG2 THR 81 1HG2 THR 81 -8.716 -13.350 12.014 629 2HG2 THR 81 2HG2 THR 81 -8.693 -11.597 11.815 630 3HG2 THR 81 3HG2 THR 81 -9.131 -12.633 10.456 631 H ASP 82 H ASP 82 -8.886 -10.332 9.440 632 HA ASP 82 HA ASP 82 -9.864 -11.851 7.295 633 1HB ASP 82 1HB ASP 82 -10.457 -8.964 7.992 634 2HB ASP 82 2HB ASP 82 -11.418 -9.969 6.914 635 H VAL 83 H VAL 83 -7.824 -9.013 7.423 636 HA VAL 83 HA VAL 83 -7.904 -8.391 4.652 637 HB VAL 83 HB VAL 83 -5.846 -7.669 6.749 638 1HG1 VAL 83 1HG1 VAL 83 -6.325 -6.492 4.016 639 2HG1 VAL 83 2HG1 VAL 83 -5.226 -5.840 5.231 640 3HG1 VAL 83 3HG1 VAL 83 -4.917 -7.424 4.523 641 1HG2 VAL 83 1HG2 VAL 83 -7.035 -5.526 6.854 642 2HG2 VAL 83 2HG2 VAL 83 -8.231 -6.141 5.712 643 3HG2 VAL 83 3HG2 VAL 83 -8.076 -6.875 7.309 644 H LEU 84 H LEU 84 -5.767 -10.298 6.692 645 HA LEU 84 HA LEU 84 -3.729 -10.746 4.804 646 1HB LEU 84 1HB LEU 84 -4.565 -12.474 7.134 647 2HB LEU 84 2HB LEU 84 -3.037 -12.576 6.283 648 HG LEU 84 HG LEU 84 -3.976 -10.197 7.892 649 1HD1 LEU 84 1HD1 LEU 84 -1.901 -12.292 8.515 650 2HD1 LEU 84 2HD1 LEU 84 -2.244 -10.858 9.481 651 3HD1 LEU 84 3HD1 LEU 84 -3.468 -12.115 9.304 652 1HD2 LEU 84 1HD2 LEU 84 -1.688 -9.381 7.590 653 2HD2 LEU 84 2HD2 LEU 84 -1.331 -10.762 6.554 654 3HD2 LEU 84 3HD2 LEU 84 -2.517 -9.560 6.044 655 H ALA 85 H ALA 85 -6.817 -12.252 5.323 656 HA ALA 85 HA ALA 85 -6.260 -14.607 3.792 657 1HB ALA 85 1HB ALA 85 -7.977 -14.605 5.524 658 2HB ALA 85 2HB ALA 85 -8.904 -13.410 4.615 659 3HB ALA 85 3HB ALA 85 -8.662 -15.028 3.956 660 H ALA 86 H ALA 86 -7.375 -11.393 3.090 661 HA ALA 86 HA ALA 86 -8.677 -11.992 0.630 662 1HB ALA 86 1HB ALA 86 -9.212 -10.006 1.960 663 2HB ALA 86 2HB ALA 86 -7.609 -9.353 1.620 664 3HB ALA 86 3HB ALA 86 -8.763 -9.587 0.307 665 H CYS 87 H CYS 87 -5.453 -10.728 1.435 666 HA CYS 87 HA CYS 87 -4.675 -10.432 -1.294 667 1HB CYS 87 1HB CYS 87 -2.380 -10.145 -0.338 668 2HB CYS 87 2HB CYS 87 -3.589 -9.075 0.365 669 HG CYS 87 HG CYS 87 -1.883 -11.618 1.797 670 H LEU 88 H LEU 88 -4.374 -12.968 1.107 671 HA LEU 88 HA LEU 88 -2.435 -14.523 -0.240 672 1HB LEU 88 1HB LEU 88 -3.085 -14.655 2.195 673 2HB LEU 88 2HB LEU 88 -4.533 -15.502 1.696 674 HG LEU 88 HG LEU 88 -1.817 -16.567 0.973 675 1HD1 LEU 88 1HD1 LEU 88 -1.787 -16.197 3.380 676 2HD1 LEU 88 2HD1 LEU 88 -3.319 -17.056 3.541 677 3HD1 LEU 88 3HD1 LEU 88 -1.876 -17.918 3.008 678 1HD2 LEU 88 1HD2 LEU 88 -3.007 -18.708 1.001 679 2HD2 LEU 88 2HD2 LEU 88 -4.497 -17.876 1.450 680 3HD2 LEU 88 3HD2 LEU 88 -3.753 -17.573 -0.122 681 H THR 89 H THR 89 -5.986 -14.649 -0.191 682 HA THR 89 HA THR 89 -6.201 -17.013 -1.719 683 HB THR 89 HB THR 89 -8.578 -16.133 -2.155 684 HG1 THR 89 HG1 THR 89 -8.134 -14.370 -0.022 685 1HG2 THR 89 1HG2 THR 89 -8.050 -17.778 -0.430 686 2HG2 THR 89 2HG2 THR 89 -7.596 -16.485 0.681 687 3HG2 THR 89 3HG2 THR 89 -9.270 -16.641 0.145 688 H ARG 90 H ARG 90 -5.995 -13.621 -2.622 689 HA ARG 90 HA ARG 90 -6.571 -14.146 -5.399 690 1HB ARG 90 1HB ARG 90 -5.552 -11.691 -3.971 691 2HB ARG 90 2HB ARG 90 -5.827 -11.755 -5.706 692 1HG ARG 90 1HG ARG 90 -8.207 -12.338 -5.231 693 2HG ARG 90 2HG ARG 90 -7.875 -12.034 -3.522 694 1HD ARG 90 1HD ARG 90 -7.238 -9.755 -4.018 695 2HD ARG 90 2HD ARG 90 -7.445 -10.047 -5.743 696 HE ARG 90 HE ARG 90 -9.693 -10.154 -3.820 697 1HH1 ARG 90 1HH1 ARG 90 -8.324 -9.268 -6.930 698 2HH1 ARG 90 2HH1 ARG 90 -9.749 -8.413 -7.449 699 1HH2 ARG 90 1HH2 ARG 90 -11.575 -9.012 -4.524 700 2HH2 ARG 90 2HH2 ARG 90 -11.582 -8.288 -6.108 701 H GLY 91 H GLY 91 -3.853 -14.487 -3.431 702 1HA GLY 91 1HA GLY 91 -1.725 -15.205 -3.967 703 2HA GLY 91 2HA GLY 91 -2.200 -15.204 -5.661 704 H ILE 92 H ILE 92 -2.385 -12.463 -3.477 705 HA ILE 92 HA ILE 92 -0.396 -11.078 -5.150 706 HB ILE 92 HB ILE 92 -2.519 -9.850 -3.378 707 1HG1 ILE 92 1HG1 ILE 92 -2.420 -10.078 -6.397 708 2HG1 ILE 92 2HG1 ILE 92 -3.484 -11.001 -5.342 709 1HG2 ILE 92 1HG2 ILE 92 -0.555 -8.441 -3.612 710 2HG2 ILE 92 2HG2 ILE 92 -0.624 -8.604 -5.367 711 3HG2 ILE 92 3HG2 ILE 92 -1.909 -7.755 -4.510 712 1HD1 ILE 92 1HD1 ILE 92 -4.567 -8.927 -4.636 713 2HD1 ILE 92 2HD1 ILE 92 -3.509 -8.015 -5.711 714 3HD1 ILE 92 3HD1 ILE 92 -4.668 -9.162 -6.381 715 H GLY 93 H GLY 93 1.492 -10.586 -4.243 716 1HA GLY 93 1HA GLY 93 2.113 -11.328 -1.582 717 2HA GLY 93 2HA GLY 93 3.152 -10.414 -2.665 718 H LEU 94 H LEU 94 1.962 -10.266 0.266 719 HA LEU 94 HA LEU 94 1.597 -7.340 0.184 720 1HB LEU 94 1HB LEU 94 -0.497 -8.437 0.794 721 2HB LEU 94 2HB LEU 94 0.318 -9.342 2.053 722 HG LEU 94 HG LEU 94 0.783 -7.207 3.239 723 1HD1 LEU 94 1HD1 LEU 94 -0.408 -5.189 2.561 724 2HD1 LEU 94 2HD1 LEU 94 0.734 -5.708 1.321 725 3HD1 LEU 94 3HD1 LEU 94 -0.991 -6.014 1.115 726 1HD2 LEU 94 1HD2 LEU 94 -1.146 -8.570 3.839 727 2HD2 LEU 94 2HD2 LEU 94 -1.505 -6.853 4.022 728 3HD2 LEU 94 3HD2 LEU 94 -2.122 -7.738 2.627 729 H GLU 95 H GLU 95 3.317 -6.364 1.029 730 HA GLU 95 HA GLU 95 4.763 -7.721 3.212 731 1HB GLU 95 1HB GLU 95 5.829 -5.678 1.254 732 2HB GLU 95 2HB GLU 95 6.753 -6.460 2.530 733 1HG GLU 95 1HG GLU 95 6.265 -8.647 1.410 734 2HG GLU 95 2HG GLU 95 5.579 -7.725 0.070 735 H ALA 96 H ALA 96 4.270 -6.871 5.118 736 HA ALA 96 HA ALA 96 3.433 -4.116 5.387 737 1HB ALA 96 1HB ALA 96 3.121 -4.644 7.742 738 2HB ALA 96 2HB ALA 96 2.372 -5.879 6.730 739 3HB ALA 96 3HB ALA 96 3.919 -6.200 7.515 740 H MET 97 H MET 97 4.746 -2.464 5.779 741 HA MET 97 HA MET 97 7.317 -2.862 7.091 742 1HB MET 97 1HB MET 97 7.099 -1.754 4.280 743 2HB MET 97 2HB MET 97 8.546 -1.679 5.273 744 1HG MET 97 1HG MET 97 8.614 -4.140 5.309 745 2HG MET 97 2HG MET 97 7.208 -4.172 4.247 746 1HE MET 97 1HE MET 97 7.227 -3.063 1.794 747 2HE MET 97 2HE MET 97 8.672 -2.390 1.040 748 3HE MET 97 3HE MET 97 7.933 -1.574 2.418 749 H THR 98 H THR 98 8.474 -0.466 6.728 750 HA THR 98 HA THR 98 6.589 1.369 7.969 751 HB THR 98 HB THR 98 8.628 2.775 8.349 752 HG1 THR 98 HG1 THR 98 10.505 2.189 7.527 753 1HG2 THR 98 1HG2 THR 98 7.862 1.218 10.062 754 2HG2 THR 98 2HG2 THR 98 8.787 -0.082 9.312 755 3HG2 THR 98 3HG2 THR 98 9.624 1.290 10.036 756 H ASN 99 H ASN 99 6.400 3.584 7.224 757 HA ASN 99 HA ASN 99 5.885 3.767 4.460 758 1HB ASN 99 1HB ASN 99 6.099 5.861 6.619 759 2HB ASN 99 2HB ASN 99 5.714 6.271 4.952 760 1HD2 ASN 99 2HD2 ASN 99 4.139 6.524 7.418 761 2HD2 ASN 99 1HD2 ASN 99 2.663 5.670 7.124 762 H ALA 100 H ALA 100 8.571 4.898 6.440 763 HA ALA 100 HA ALA 100 9.923 6.375 4.470 764 1HB ALA 100 1HB ALA 100 11.112 4.880 6.802 765 2HB ALA 100 2HB ALA 100 11.873 6.192 5.903 766 3HB ALA 100 3HB ALA 100 10.429 6.504 6.866 767 H ALA 101 H ALA 101 9.703 2.942 4.970 768 HA ALA 101 HA ALA 101 11.983 2.439 3.205 769 1HB ALA 101 1HB ALA 101 10.277 0.481 4.739 770 2HB ALA 101 2HB ALA 101 11.750 0.104 3.844 771 3HB ALA 101 3HB ALA 101 11.825 1.133 5.274 772 H ALA 102 H ALA 102 8.501 1.823 3.417 773 HA ALA 102 HA ALA 102 8.226 0.240 1.127 774 1HB ALA 102 1HB ALA 102 6.489 0.471 2.840 775 2HB ALA 102 2HB ALA 102 6.202 2.131 2.322 776 3HB ALA 102 3HB ALA 102 5.857 0.793 1.226 777 H ALA 103 H ALA 103 8.164 3.746 1.513 778 HA ALA 103 HA ALA 103 7.295 4.436 -1.059 779 1HB ALA 103 1HB ALA 103 9.155 5.973 0.750 780 2HB ALA 103 2HB ALA 103 8.241 6.631 -0.606 781 3HB ALA 103 3HB ALA 103 7.394 6.013 0.812 782 H ARG 104 H ARG 104 10.442 3.501 0.137 783 HA ARG 104 HA ARG 104 11.878 4.449 -2.160 784 1HB ARG 104 1HB ARG 104 12.771 2.469 -0.056 785 2HB ARG 104 2HB ARG 104 13.804 3.366 -1.161 786 1HG ARG 104 1HG ARG 104 13.134 5.460 -0.099 787 2HG ARG 104 2HG ARG 104 12.086 4.564 1.004 788 1HD ARG 104 1HD ARG 104 14.106 5.036 2.169 789 2HD ARG 104 2HD ARG 104 14.112 3.317 1.775 790 HE ARG 104 HE ARG 104 15.522 5.192 0.004 791 1HH1 ARG 104 1HH1 ARG 104 15.623 2.562 2.320 792 2HH1 ARG 104 2HH1 ARG 104 17.296 2.210 2.028 793 1HH2 ARG 104 1HH2 ARG 104 17.710 4.711 -0.386 794 2HH2 ARG 104 2HH2 ARG 104 18.477 3.413 0.479 795 H THR 105 H THR 105 10.860 1.264 -0.956 796 HA THR 105 HA THR 105 11.815 -0.247 -3.123 797 HB THR 105 HB THR 105 9.454 -0.841 -1.325 798 HG1 THR 105 HG1 THR 105 12.014 -1.950 -0.956 799 1HG2 THR 105 1HG2 THR 105 9.524 -2.280 -3.306 800 2HG2 THR 105 2HG2 THR 105 11.203 -2.688 -2.957 801 3HG2 THR 105 3HG2 THR 105 9.926 -3.189 -1.850 802 H TYR 106 H TYR 106 8.800 1.487 -2.599 803 HA TYR 106 HA TYR 106 7.288 0.567 -4.737 804 1HB TYR 106 1HB TYR 106 6.236 1.979 -3.150 805 2HB TYR 106 2HB TYR 106 7.428 3.254 -3.375 806 HD1 TYR 106 HD1 TYR 106 4.694 1.443 -5.150 807 HD2 TYR 106 HD2 TYR 106 6.999 5.009 -4.847 808 HE1 TYR 106 HE1 TYR 106 3.217 2.533 -6.788 809 HE2 TYR 106 HE2 TYR 106 5.529 6.106 -6.482 810 HH TYR 106 HH TYR 106 3.994 5.523 -8.253 811 H ASN 107 H ASN 107 9.588 3.283 -4.666 812 HA ASN 107 HA ASN 107 9.232 4.090 -7.324 813 1HB ASN 107 1HB ASN 107 11.356 4.498 -5.260 814 2HB ASN 107 2HB ASN 107 11.677 4.982 -6.917 815 1HD2 ASN 107 2HD2 ASN 107 9.778 5.584 -4.068 816 2HD2 ASN 107 1HD2 ASN 107 9.150 7.113 -4.579 817 H VAL 108 H VAL 108 11.379 1.718 -5.871 818 HA VAL 108 HA VAL 108 12.939 1.192 -8.166 819 HB VAL 108 HB VAL 108 12.295 -0.621 -5.831 820 1HG1 VAL 108 1HG1 VAL 108 14.460 -0.861 -7.918 821 2HG1 VAL 108 2HG1 VAL 108 14.292 -1.880 -6.488 822 3HG1 VAL 108 3HG1 VAL 108 13.056 -1.916 -7.746 823 1HG2 VAL 108 1HG2 VAL 108 14.666 1.167 -6.359 824 2HG2 VAL 108 2HG2 VAL 108 13.405 1.437 -5.156 825 3HG2 VAL 108 3HG2 VAL 108 14.498 0.061 -4.995 826 H LEU 109 H LEU 109 10.132 -0.528 -6.806 827 HA LEU 109 HA LEU 109 10.034 -2.504 -8.816 828 1HB LEU 109 1HB LEU 109 7.866 -1.520 -6.965 829 2HB LEU 109 2HB LEU 109 7.762 -2.971 -7.941 830 HG LEU 109 HG LEU 109 9.729 -2.483 -5.701 831 1HD1 LEU 109 1HD1 LEU 109 7.466 -2.851 -4.900 832 2HD1 LEU 109 2HD1 LEU 109 7.332 -4.302 -5.893 833 3HD1 LEU 109 3HD1 LEU 109 8.481 -4.250 -4.555 834 1HD2 LEU 109 1HD2 LEU 109 9.292 -4.936 -7.402 835 2HD2 LEU 109 2HD2 LEU 109 10.690 -3.865 -7.475 836 3HD2 LEU 109 3HD2 LEU 109 10.380 -4.810 -6.020 837 H ALA 110 H ALA 110 8.314 0.564 -8.438 838 HA ALA 110 HA ALA 110 6.470 0.234 -10.520 839 1HB ALA 110 1HB ALA 110 6.153 2.637 -10.411 840 2HB ALA 110 2HB ALA 110 6.277 1.959 -8.788 841 3HB ALA 110 3HB ALA 110 7.651 2.811 -9.495 842 H SER 111 H SER 111 9.787 1.382 -10.542 843 HA SER 111 HA SER 111 9.721 2.404 -13.197 844 1HB SER 111 1HB SER 111 12.084 1.555 -11.507 845 2HB SER 111 2HB SER 111 12.161 2.538 -12.971 846 HG SER 111 HG SER 111 11.303 3.210 -10.400 847 H GLU 112 H GLU 112 10.409 -0.730 -11.798 848 HA GLU 112 HA GLU 112 11.540 -1.874 -14.171 849 1HB GLU 112 1HB GLU 112 11.847 -2.663 -11.751 850 2HB GLU 112 2HB GLU 112 10.239 -3.349 -11.872 851 1HG GLU 112 1HG GLU 112 12.518 -4.090 -13.687 852 2HG GLU 112 2HG GLU 112 12.114 -4.955 -12.208 853 H GLY 113 H GLY 113 8.365 -1.617 -12.717 854 1HA GLY 113 1HA GLY 113 6.457 -1.680 -14.304 855 2HA GLY 113 2HA GLY 113 7.234 -3.090 -15.016 856 H ARG 114 H ARG 114 7.876 -3.350 -11.853 857 HA ARG 114 HA ARG 114 5.854 -5.284 -11.292 858 1HB ARG 114 1HB ARG 114 7.741 -3.877 -9.381 859 2HB ARG 114 2HB ARG 114 6.782 -5.299 -9.008 860 1HG ARG 114 1HG ARG 114 9.002 -5.168 -11.037 861 2HG ARG 114 2HG ARG 114 9.129 -5.837 -9.410 862 1HD ARG 114 1HD ARG 114 8.709 -7.769 -10.507 863 2HD ARG 114 2HD ARG 114 7.038 -7.249 -10.292 864 HE ARG 114 HE ARG 114 8.337 -6.357 -12.730 865 1HH1 ARG 114 1HH1 ARG 114 6.239 -8.712 -11.187 866 2HH1 ARG 114 2HH1 ARG 114 5.624 -9.330 -12.691 867 1HH2 ARG 114 1HH2 ARG 114 7.515 -7.171 -14.703 868 2HH2 ARG 114 2HH2 ARG 114 6.366 -8.479 -14.693 869 H ARG 115 H ARG 115 3.884 -4.231 -11.560 870 HA ARG 115 HA ARG 115 3.338 -1.699 -10.442 871 1HB ARG 115 1HB ARG 115 1.547 -3.831 -11.586 872 2HB ARG 115 2HB ARG 115 0.928 -2.294 -10.984 873 1HG ARG 115 1HG ARG 115 2.381 -1.105 -12.562 874 2HG ARG 115 2HG ARG 115 2.954 -2.651 -13.183 875 1HD ARG 115 1HD ARG 115 0.796 -3.191 -14.034 876 2HD ARG 115 2HD ARG 115 0.062 -1.815 -13.207 877 HE ARG 115 HE ARG 115 1.902 -0.632 -14.782 878 1HH1 ARG 115 1HH1 ARG 115 -0.536 -3.053 -15.495 879 2HH1 ARG 115 2HH1 ARG 115 -0.830 -2.447 -17.103 880 1HH2 ARG 115 1HH2 ARG 115 1.548 0.132 -16.866 881 2HH2 ARG 115 2HH2 ARG 115 0.384 -0.642 -17.901 882 H VAL 116 H VAL 116 3.433 -1.358 -8.406 883 HA VAL 116 HA VAL 116 2.242 -3.283 -6.542 884 HB VAL 116 HB VAL 116 4.602 -3.093 -6.152 885 1HG1 VAL 116 1HG1 VAL 116 5.695 -0.953 -5.643 886 2HG1 VAL 116 2HG1 VAL 116 5.043 -0.995 -7.281 887 3HG1 VAL 116 3HG1 VAL 116 4.192 -0.109 -6.017 888 1HG2 VAL 116 1HG2 VAL 116 3.070 -1.491 -4.109 889 2HG2 VAL 116 2HG2 VAL 116 3.263 -3.244 -4.149 890 3HG2 VAL 116 3HG2 VAL 116 4.660 -2.208 -3.854 891 H ALA 117 H ALA 117 0.662 -2.642 -5.226 892 HA ALA 117 HA ALA 117 -0.305 0.090 -5.386 893 1HB ALA 117 1HB ALA 117 -1.925 -1.743 -5.413 894 2HB ALA 117 2HB ALA 117 -1.357 -2.276 -3.831 895 3HB ALA 117 3HB ALA 117 -2.160 -0.714 -3.999 896 H LEU 118 H LEU 118 0.723 1.552 -4.183 897 HA LEU 118 HA LEU 118 2.095 0.722 -1.763 898 1HB LEU 118 1HB LEU 118 3.190 2.235 -3.385 899 2HB LEU 118 2HB LEU 118 1.945 3.433 -3.088 900 HG LEU 118 HG LEU 118 2.686 3.570 -0.722 901 1HD1 LEU 118 1HD1 LEU 118 4.829 2.593 -0.089 902 2HD1 LEU 118 2HD1 LEU 118 3.664 1.343 -0.528 903 3HD1 LEU 118 3HD1 LEU 118 4.937 1.797 -1.659 904 1HD2 LEU 118 1HD2 LEU 118 4.828 4.089 -2.781 905 2HD2 LEU 118 2HD2 LEU 118 3.494 5.168 -2.376 906 3HD2 LEU 118 3HD2 LEU 118 4.738 4.815 -1.177 907 H ALA 119 H ALA 119 0.523 0.315 -0.267 908 HA ALA 119 HA ALA 119 -1.469 2.359 0.305 909 1HB ALA 119 1HB ALA 119 -2.157 0.008 0.327 910 2HB ALA 119 2HB ALA 119 -0.998 -0.322 1.613 911 3HB ALA 119 3HB ALA 119 -2.366 0.750 1.914 912 H MET 120 H MET 120 -0.405 4.066 1.206 913 HA MET 120 HA MET 120 1.484 3.539 3.371 914 1HB MET 120 1HB MET 120 0.902 6.012 1.753 915 2HB MET 120 2HB MET 120 1.922 6.033 3.185 916 1HG MET 120 1HG MET 120 3.394 4.370 2.118 917 2HG MET 120 2HG MET 120 2.401 4.461 0.665 918 1HE MET 120 1HE MET 120 3.357 7.429 3.078 919 2HE MET 120 2HE MET 120 4.841 8.013 2.324 920 3HE MET 120 3HE MET 120 4.803 6.419 3.076 921 H ILE 121 H ILE 121 0.584 3.323 5.262 922 HA ILE 121 HA ILE 121 -1.675 4.996 6.028 923 HB ILE 121 HB ILE 121 -0.276 2.763 7.516 924 1HG1 ILE 121 1HG1 ILE 121 -2.985 2.828 6.165 925 2HG1 ILE 121 2HG1 ILE 121 -1.548 2.057 5.502 926 1HG2 ILE 121 1HG2 ILE 121 -1.242 4.388 9.055 927 2HG2 ILE 121 2HG2 ILE 121 -2.791 4.271 8.220 928 3HG2 ILE 121 3HG2 ILE 121 -2.149 2.876 9.086 929 1HD1 ILE 121 1HD1 ILE 121 -2.926 1.290 8.066 930 2HD1 ILE 121 2HD1 ILE 121 -3.055 0.442 6.524 931 3HD1 ILE 121 3HD1 ILE 121 -1.509 0.503 7.371 932 H VAL 122 H VAL 122 -0.871 7.015 6.332 933 HA VAL 122 HA VAL 122 1.393 7.356 8.153 934 HB VAL 122 HB VAL 122 -0.126 9.474 6.614 935 1HG1 VAL 122 1HG1 VAL 122 1.025 10.360 8.557 936 2HG1 VAL 122 2HG1 VAL 122 2.522 9.574 8.055 937 3HG1 VAL 122 3HG1 VAL 122 1.840 10.875 7.081 938 1HG2 VAL 122 1HG2 VAL 122 1.760 9.478 5.054 939 2HG2 VAL 122 2HG2 VAL 122 2.484 8.126 5.925 940 3HG2 VAL 122 3HG2 VAL 122 0.951 7.910 5.081 941 H GLY 123 H GLY 123 1.092 7.882 10.228 942 1HA GLY 123 1HA GLY 123 -0.919 9.552 11.220 943 2HA GLY 123 2HA GLY 123 -1.460 7.887 11.396 944 H GLY 124 H GLY 124 -1.339 8.881 13.694 945 1HA GLY 124 1HA GLY 124 0.411 7.478 15.233 946 2HA GLY 124 2HA GLY 124 1.271 8.975 14.886 947 H LEU 125 H LEU 125 -0.130 7.695 17.324 948 HA LEU 125 HA LEU 125 -2.155 9.682 17.931 949 1HB LEU 125 1HB LEU 125 -1.101 7.318 19.479 950 2HB LEU 125 2HB LEU 125 -2.258 8.449 20.149 951 HG LEU 125 HG LEU 125 -3.779 7.851 18.198 952 1HD1 LEU 125 1HD1 LEU 125 -1.843 5.555 17.941 953 2HD1 LEU 125 2HD1 LEU 125 -3.403 5.692 17.131 954 3HD1 LEU 125 3HD1 LEU 125 -2.108 6.827 16.748 955 1HD2 LEU 125 1HD2 LEU 125 -4.579 5.819 19.292 956 2HD2 LEU 125 2HD2 LEU 125 -3.065 5.703 20.189 957 3HD2 LEU 125 3HD2 LEU 125 -4.154 7.061 20.470 958 H GLU 126 H GLU 126 -0.981 11.587 18.007 959 HA GLU 126 HA GLU 126 0.278 12.073 20.561 960 1HB GLU 126 1HB GLU 126 2.112 11.296 18.981 961 2HB GLU 126 2HB GLU 126 1.809 12.755 18.046 962 1HG GLU 126 1HG GLU 126 3.716 12.943 19.609 963 2HG GLU 126 2HG GLU 126 2.452 14.142 19.884 964 H HIS 127 H HIS 127 0.537 14.390 20.973 965 HA HIS 127 HA HIS 127 -1.272 15.993 19.273 966 1HB HIS 127 1HB HIS 127 -0.910 16.117 22.275 967 2HB HIS 127 2HB HIS 127 -1.856 17.267 21.338 968 HD1 HIS 127 HD1 HIS 127 -2.907 15.285 23.624 969 HD2 HIS 127 HD2 HIS 127 -3.363 14.836 19.511 970 HE1 HIS 127 HE1 HIS 127 -4.914 13.796 23.318 971 HE2 HIS 127 HE2 HIS 127 -5.208 13.576 20.823 972 H HIS 128 H HIS 128 -0.962 18.427 19.848 973 HA HIS 128 HA HIS 128 0.314 20.297 19.732 974 1HB HIS 128 1HB HIS 128 0.932 19.327 22.024 975 2HB HIS 128 2HB HIS 128 2.419 18.773 21.266 976 HD1 HIS 128 HD1 HIS 128 0.600 22.125 21.237 977 HD2 HIS 128 HD2 HIS 128 4.364 20.509 21.931 978 HE1 HIS 128 HE1 HIS 128 2.081 24.077 21.789 979 HE2 HIS 128 HE2 HIS 128 4.280 23.044 22.454 980 H HIS 129 H HIS 129 0.384 18.953 17.451 981 HA HIS 129 HA HIS 129 2.905 17.947 16.658 982 1HB HIS 129 1HB HIS 129 2.025 17.835 14.406 983 2HB HIS 129 2HB HIS 129 0.796 17.296 15.539 984 HD1 HIS 129 HD1 HIS 129 1.581 20.052 13.106 985 HD2 HIS 129 HD2 HIS 129 -1.513 18.878 15.631 986 HE1 HIS 129 HE1 HIS 129 -0.405 21.441 12.442 987 HE2 HIS 129 HE2 HIS 129 -2.227 20.812 14.067 988 H HIS 130 H HIS 130 4.677 19.024 16.413 989 HA HIS 130 HA HIS 130 6.192 20.642 15.848 990 1HB HIS 130 1HB HIS 130 5.480 19.356 13.754 991 2HB HIS 130 2HB HIS 130 4.566 20.794 13.317 992 HD1 HIS 130 HD1 HIS 130 5.794 22.363 11.863 993 HD2 HIS 130 HD2 HIS 130 8.358 20.052 14.182 994 HE1 HIS 130 HE1 HIS 130 8.120 22.988 11.135 995 HE2 HIS 130 HE2 HIS 130 9.641 21.767 12.737 996 H HIS 131 H HIS 131 5.453 22.233 17.410 997 HA HIS 131 HA HIS 131 3.488 24.160 16.809 998 1HB HIS 131 1HB HIS 131 4.304 25.398 18.740 999 2HB HIS 131 2HB HIS 131 4.214 23.685 19.112 1000 HD1 HIS 131 HD1 HIS 131 6.487 22.421 19.439 1001 HD2 HIS 131 HD2 HIS 131 6.838 26.531 18.894 1002 HE1 HIS 131 HE1 HIS 131 8.823 23.007 20.161 1003 HE2 HIS 131 HE2 HIS 131 8.944 25.519 20.009 1004 H HIS 132 H HIS 132 3.507 25.710 15.379 1005 HA HIS 132 HA HIS 132 5.732 27.499 15.107 1006 1HB HIS 132 1HB HIS 132 5.268 25.409 13.093 1007 2HB HIS 132 2HB HIS 132 5.306 27.037 12.426 1008 HD1 HIS 132 HD1 HIS 132 7.541 28.422 12.894 1009 HD2 HIS 132 HD2 HIS 132 7.717 24.355 13.715 1010 HE1 HIS 132 HE1 HIS 132 9.987 27.870 13.058 1011 HE2 HIS 132 HE2 HIS 132 10.045 25.473 13.832 Start of MODEL 7 1 1H MET 1 1HT MET 1 -4.221 14.805 -36.358 2 2H MET 1 2HT MET 1 -4.837 15.433 -37.808 3 3H MET 1 3HT MET 1 -3.236 14.891 -37.735 4 HA MET 1 HA MET 1 -5.682 13.255 -37.486 5 1HB MET 1 1HB MET 1 -3.576 13.397 -39.646 6 2HB MET 1 2HB MET 1 -4.792 12.132 -39.546 7 1HG MET 1 1HG MET 1 -5.299 15.074 -39.911 8 2HG MET 1 2HG MET 1 -5.446 13.821 -41.141 9 1HE MET 1 1HE MET 1 -8.517 11.763 -39.873 10 2HE MET 1 2HE MET 1 -6.808 11.440 -39.573 11 3HE MET 1 3HE MET 1 -7.337 11.975 -41.167 12 HA PRO 2 HA PRO 2 -1.979 10.476 -36.231 13 1HB PRO 2 1HB PRO 2 0.416 11.688 -35.802 14 2HB PRO 2 2HB PRO 2 -0.009 10.921 -37.335 15 1HG PRO 2 1HG PRO 2 -0.053 13.813 -36.587 16 2HG PRO 2 2HG PRO 2 0.476 13.053 -38.099 17 1HD PRO 2 1HD PRO 2 -1.945 14.256 -37.813 18 2HD PRO 2 2HD PRO 2 -1.665 12.895 -38.915 19 H LEU 3 H LEU 3 -2.498 10.161 -34.153 20 HA LEU 3 HA LEU 3 -2.891 12.457 -32.417 21 1HB LEU 3 1HB LEU 3 -3.469 9.522 -32.022 22 2HB LEU 3 2HB LEU 3 -3.774 10.745 -30.807 23 HG LEU 3 HG LEU 3 -5.278 11.850 -32.595 24 1HD1 LEU 3 1HD1 LEU 3 -5.107 9.052 -33.701 25 2HD1 LEU 3 2HD1 LEU 3 -6.274 10.282 -34.186 26 3HD1 LEU 3 3HD1 LEU 3 -4.556 10.524 -34.499 27 1HD2 LEU 3 1HD2 LEU 3 -6.045 9.232 -31.314 28 2HD2 LEU 3 2HD2 LEU 3 -6.107 10.822 -30.554 29 3HD2 LEU 3 3HD2 LEU 3 -7.169 10.452 -31.913 30 H ASN 4 H ASN 4 -1.471 13.119 -30.948 31 HA ASN 4 HA ASN 4 0.869 11.507 -30.371 32 1HB ASN 4 1HB ASN 4 1.706 13.426 -29.165 33 2HB ASN 4 2HB ASN 4 1.033 13.985 -30.692 34 1HD2 ASN 4 2HD2 ASN 4 0.764 14.032 -27.255 35 2HD2 ASN 4 1HD2 ASN 4 -0.474 15.237 -27.152 36 H GLN 5 H GLN 5 1.492 10.961 -28.173 37 HA GLN 5 HA GLN 5 -0.642 9.770 -26.742 38 1HB GLN 5 1HB GLN 5 1.644 8.848 -26.735 39 2HB GLN 5 2HB GLN 5 2.206 10.260 -25.847 40 1HG GLN 5 1HG GLN 5 0.771 9.666 -23.972 41 2HG GLN 5 2HG GLN 5 0.180 8.262 -24.860 42 1HE2 GLN 5 2HE2 GLN 5 1.539 6.500 -25.173 43 2HE2 GLN 5 1HE2 GLN 5 2.966 6.267 -24.218 44 H GLU 6 H GLU 6 -2.099 10.896 -25.656 45 HA GLU 6 HA GLU 6 -1.302 13.348 -24.299 46 1HB GLU 6 1HB GLU 6 -3.983 12.135 -24.911 47 2HB GLU 6 2HB GLU 6 -3.809 13.477 -23.788 48 1HG GLU 6 1HG GLU 6 -2.616 14.693 -25.673 49 2HG GLU 6 2HG GLU 6 -3.235 13.422 -26.729 50 H HIS 7 H HIS 7 -0.872 13.438 -22.249 51 HA HIS 7 HA HIS 7 -2.014 11.404 -20.459 52 1HB HIS 7 1HB HIS 7 0.116 11.473 -19.143 53 2HB HIS 7 2HB HIS 7 0.296 10.767 -20.744 54 HD1 HIS 7 HD1 HIS 7 1.527 13.482 -18.580 55 HD2 HIS 7 HD2 HIS 7 1.713 12.431 -22.603 56 HE1 HIS 7 HE1 HIS 7 3.374 14.884 -19.570 57 HE2 HIS 7 HE2 HIS 7 3.392 14.311 -22.027 58 HA PRO 8 HA PRO 8 -3.574 14.881 -18.312 59 1HB PRO 8 1HB PRO 8 -3.455 13.325 -15.823 60 2HB PRO 8 2HB PRO 8 -4.861 13.933 -16.701 61 1HG PRO 8 1HG PRO 8 -4.260 11.317 -16.639 62 2HG PRO 8 2HG PRO 8 -4.968 12.078 -18.075 63 1HD PRO 8 1HD PRO 8 -2.112 11.344 -17.534 64 2HD PRO 8 2HD PRO 8 -3.066 11.130 -19.018 65 H ASP 9 H ASP 9 -1.424 15.904 -18.621 66 HA ASP 9 HA ASP 9 0.179 17.294 -17.872 67 1HB ASP 9 1HB ASP 9 -1.557 17.035 -15.466 68 2HB ASP 9 2HB ASP 9 0.005 17.827 -15.287 69 H TYR 10 H TYR 10 0.099 15.722 -14.746 70 HA TYR 10 HA TYR 10 2.452 14.148 -15.277 71 1HB TYR 10 1HB TYR 10 3.758 15.397 -13.453 72 2HB TYR 10 2HB TYR 10 3.650 16.166 -15.033 73 HD1 TYR 10 HD1 TYR 10 2.401 18.195 -15.349 74 HD2 TYR 10 HD2 TYR 10 2.536 16.325 -11.529 75 HE1 TYR 10 HE1 TYR 10 1.492 20.234 -14.327 76 HE2 TYR 10 HE2 TYR 10 1.619 18.362 -10.496 77 HH TYR 10 HH TYR 10 0.193 20.833 -12.262 78 H THR 11 H THR 11 3.263 13.149 -13.179 79 HA THR 11 HA THR 11 0.896 12.330 -11.677 80 HB THR 11 HB THR 11 2.472 10.505 -10.842 81 HG1 THR 11 HG1 THR 11 4.070 10.880 -13.089 82 1HG2 THR 11 1HG2 THR 11 1.913 10.657 -13.807 83 2HG2 THR 11 2HG2 THR 11 2.252 9.187 -12.894 84 3HG2 THR 11 3HG2 THR 11 0.782 10.107 -12.571 85 H TYR 12 H TYR 12 0.997 12.097 -9.360 86 HA TYR 12 HA TYR 12 2.647 14.148 -8.106 87 1HB TYR 12 1HB TYR 12 0.410 12.468 -6.943 88 2HB TYR 12 2HB TYR 12 1.214 13.811 -6.136 89 HD1 TYR 12 HD1 TYR 12 1.154 16.089 -7.497 90 HD2 TYR 12 HD2 TYR 12 -1.591 12.880 -8.018 91 HE1 TYR 12 HE1 TYR 12 -0.479 17.652 -8.462 92 HE2 TYR 12 HE2 TYR 12 -3.233 14.435 -8.986 93 HH TYR 12 HH TYR 12 -2.427 17.597 -9.947 94 H ALA 13 H ALA 13 4.613 13.499 -7.541 95 HA ALA 13 HA ALA 13 5.060 10.684 -6.929 96 1HB ALA 13 1HB ALA 13 7.421 11.181 -7.216 97 2HB ALA 13 2HB ALA 13 6.491 11.758 -8.599 98 3HB ALA 13 3HB ALA 13 7.054 12.898 -7.377 99 H LEU 14 H LEU 14 5.989 9.936 -5.065 100 HA LEU 14 HA LEU 14 5.670 11.487 -2.684 101 1HB LEU 14 1HB LEU 14 5.332 9.066 -2.673 102 2HB LEU 14 2HB LEU 14 6.997 8.813 -3.157 103 HG LEU 14 HG LEU 14 7.729 9.822 -0.999 104 1HD1 LEU 14 1HD1 LEU 14 4.791 9.703 -0.338 105 2HD1 LEU 14 2HD1 LEU 14 6.093 10.056 0.798 106 3HD1 LEU 14 3HD1 LEU 14 5.755 11.167 -0.531 107 1HD2 LEU 14 1HD2 LEU 14 7.580 7.402 -1.288 108 2HD2 LEU 14 2HD2 LEU 14 7.175 7.878 0.361 109 3HD2 LEU 14 3HD2 LEU 14 5.894 7.440 -0.768 110 H ARG 15 H ARG 15 7.031 13.058 -2.166 111 HA ARG 15 HA ARG 15 9.667 13.241 -3.259 112 1HB ARG 15 1HB ARG 15 8.333 14.838 -1.063 113 2HB ARG 15 2HB ARG 15 9.866 15.248 -1.821 114 1HG ARG 15 1HG ARG 15 8.730 15.510 -3.972 115 2HG ARG 15 2HG ARG 15 7.195 15.104 -3.203 116 1HD ARG 15 1HD ARG 15 7.432 17.513 -3.444 117 2HD ARG 15 2HD ARG 15 7.411 17.052 -1.743 118 HE ARG 15 HE ARG 15 10.070 17.240 -2.796 119 1HH1 ARG 15 1HH1 ARG 15 7.403 19.081 -1.476 120 2HH1 ARG 15 2HH1 ARG 15 8.400 20.413 -0.975 121 1HH2 ARG 15 1HH2 ARG 15 11.398 18.958 -2.074 122 2HH2 ARG 15 2HH2 ARG 15 10.677 20.332 -1.285 123 H ALA 16 H ALA 16 8.387 12.729 0.010 124 HA ALA 16 HA ALA 16 10.348 10.836 0.723 125 1HB ALA 16 1HB ALA 16 11.619 12.111 2.371 126 2HB ALA 16 2HB ALA 16 11.836 12.780 0.753 127 3HB ALA 16 3HB ALA 16 10.765 13.583 1.901 128 H ALA 17 H ALA 17 9.673 9.712 2.450 129 HA ALA 17 HA ALA 17 7.492 10.845 4.075 130 1HB ALA 17 1HB ALA 17 8.164 7.945 3.555 131 2HB ALA 17 2HB ALA 17 6.834 8.534 4.552 132 3HB ALA 17 3HB ALA 17 6.840 8.846 2.816 133 H ASP 18 H ASP 18 7.801 11.034 6.239 134 HA ASP 18 HA ASP 18 10.426 10.144 7.232 135 1HB ASP 18 1HB ASP 18 10.367 12.098 8.749 136 2HB ASP 18 2HB ASP 18 10.342 12.557 7.053 137 H GLY 19 H GLY 19 7.762 8.781 7.319 138 1HA GLY 19 1HA GLY 19 7.535 7.049 9.030 139 2HA GLY 19 2HA GLY 19 7.801 8.303 10.230 140 H ARG 20 H ARG 20 6.101 9.353 11.060 141 HA ARG 20 HA ARG 20 3.450 8.440 10.342 142 1HB ARG 20 1HB ARG 20 2.711 9.566 12.307 143 2HB ARG 20 2HB ARG 20 4.261 8.842 12.711 144 1HG ARG 20 1HG ARG 20 5.314 11.067 12.232 145 2HG ARG 20 2HG ARG 20 3.684 11.730 12.108 146 1HD ARG 20 1HD ARG 20 3.252 10.905 14.423 147 2HD ARG 20 2HD ARG 20 4.951 10.438 14.521 148 HE ARG 20 HE ARG 20 3.862 13.092 14.714 149 1HH1 ARG 20 1HH1 ARG 20 6.728 11.213 13.975 150 2HH1 ARG 20 2HH1 ARG 20 7.817 12.549 14.224 151 1HH2 ARG 20 1HH2 ARG 20 5.278 14.829 15.059 152 2HH2 ARG 20 2HH2 ARG 20 6.993 14.595 14.882 153 H HIS 21 H HIS 21 5.247 10.327 8.691 154 HA HIS 21 HA HIS 21 3.139 12.149 7.871 155 1HB HIS 21 1HB HIS 21 4.323 13.440 9.551 156 2HB HIS 21 2HB HIS 21 5.868 13.071 8.804 157 HD1 HIS 21 HD1 HIS 21 6.631 14.545 6.915 158 HD2 HIS 21 HD2 HIS 21 2.742 15.351 8.148 159 HE1 HIS 21 HE1 HIS 21 5.997 16.709 5.794 160 HE2 HIS 21 HE2 HIS 21 3.742 17.296 6.768 161 H ALA 22 H ALA 22 3.334 12.781 5.721 162 HA ALA 22 HA ALA 22 5.635 11.756 4.222 163 1HB ALA 22 1HB ALA 22 2.761 11.164 3.522 164 2HB ALA 22 2HB ALA 22 4.169 10.745 2.544 165 3HB ALA 22 3HB ALA 22 3.945 10.005 4.128 166 H LYS 23 H LYS 23 5.701 12.588 1.984 167 HA LYS 23 HA LYS 23 4.188 15.070 1.570 168 1HB LYS 23 1HB LYS 23 7.178 14.781 1.191 169 2HB LYS 23 2HB LYS 23 6.233 16.186 0.730 170 1HG LYS 23 1HG LYS 23 5.629 16.508 3.107 171 2HG LYS 23 2HG LYS 23 6.689 15.163 3.522 172 1HD LYS 23 1HD LYS 23 7.535 17.717 2.156 173 2HD LYS 23 2HD LYS 23 7.791 17.327 3.856 174 1HE LYS 23 1HE LYS 23 8.937 15.845 1.490 175 2HE LYS 23 2HE LYS 23 9.814 16.939 2.560 176 1HZ LYS 23 1HZ LYS 23 10.312 14.805 3.324 177 2HZ LYS 23 2HZ LYS 23 9.135 15.363 4.403 178 3HZ LYS 23 3HZ LYS 23 8.715 14.265 3.181 179 H VAL 24 H VAL 24 2.985 14.475 -0.154 180 HA VAL 24 HA VAL 24 4.370 13.216 -2.435 181 HB VAL 24 HB VAL 24 1.393 13.271 -1.885 182 1HG1 VAL 24 1HG1 VAL 24 3.005 11.743 -3.924 183 2HG1 VAL 24 2HG1 VAL 24 1.268 11.587 -3.658 184 3HG1 VAL 24 3HG1 VAL 24 1.937 13.109 -4.251 185 1HG2 VAL 24 1HG2 VAL 24 3.376 11.035 -1.479 186 2HG2 VAL 24 2HG2 VAL 24 2.527 11.920 -0.212 187 3HG2 VAL 24 3HG2 VAL 24 1.624 10.893 -1.326 188 H ASN 25 H ASN 25 4.955 14.710 -3.872 189 HA ASN 25 HA ASN 25 5.058 16.596 -5.118 190 1HB ASN 25 1HB ASN 25 3.020 15.602 -6.146 191 2HB ASN 25 2HB ASN 25 2.033 16.523 -5.015 192 1HD2 ASN 25 2HD2 ASN 25 4.069 16.668 -7.831 193 2HD2 ASN 25 1HD2 ASN 25 3.648 18.288 -8.285 194 H GLU 26 H GLU 26 2.048 17.746 -3.690 195 HA GLU 26 HA GLU 26 3.530 19.170 -1.613 196 1HB GLU 26 1HB GLU 26 2.382 21.288 -2.060 197 2HB GLU 26 2HB GLU 26 3.391 20.803 -3.414 198 1HG GLU 26 1HG GLU 26 1.573 20.306 -4.759 199 2HG GLU 26 2HG GLU 26 0.477 20.149 -3.386 200 H GLN 27 H GLN 27 1.343 17.030 -2.201 201 HA GLN 27 HA GLN 27 -0.797 18.077 -0.529 202 1HB GLN 27 1HB GLN 27 -0.527 15.548 -2.157 203 2HB GLN 27 2HB GLN 27 -1.869 15.831 -1.059 204 1HG GLN 27 1HG GLN 27 -2.795 16.522 -3.015 205 2HG GLN 27 2HG GLN 27 -2.127 18.043 -2.435 206 1HE2 GLN 27 2HE2 GLN 27 -2.785 17.294 -5.128 207 2HE2 GLN 27 1HE2 GLN 27 -1.326 17.416 -6.050 208 H ILE 28 H ILE 28 -0.243 18.047 1.545 209 HA ILE 28 HA ILE 28 1.269 15.850 2.663 210 HB ILE 28 HB ILE 28 0.024 18.229 4.061 211 1HG1 ILE 28 1HG1 ILE 28 2.890 17.756 3.200 212 2HG1 ILE 28 2HG1 ILE 28 1.758 18.831 2.388 213 1HG2 ILE 28 1HG2 ILE 28 0.396 16.348 5.568 214 2HG2 ILE 28 2HG2 ILE 28 2.069 16.227 5.024 215 3HG2 ILE 28 3HG2 ILE 28 1.530 17.654 5.910 216 1HD1 ILE 28 1HD1 ILE 28 1.631 20.212 4.391 217 2HD1 ILE 28 2HD1 ILE 28 2.752 19.128 5.212 218 3HD1 ILE 28 3HD1 ILE 28 3.290 20.059 3.815 219 H LEU 29 H LEU 29 -0.103 14.123 2.346 220 HA LEU 29 HA LEU 29 -2.779 14.142 3.407 221 1HB LEU 29 1HB LEU 29 -1.121 11.873 2.294 222 2HB LEU 29 2HB LEU 29 -2.833 11.793 2.668 223 HG LEU 29 HG LEU 29 -1.609 13.609 0.586 224 1HD1 LEU 29 1HD1 LEU 29 -3.158 11.047 0.255 225 2HD1 LEU 29 2HD1 LEU 29 -2.640 12.118 -1.046 226 3HD1 LEU 29 3HD1 LEU 29 -1.439 11.272 -0.069 227 1HD2 LEU 29 1HD2 LEU 29 -4.489 12.991 1.232 228 2HD2 LEU 29 2HD2 LEU 29 -3.654 14.509 1.563 229 3HD2 LEU 29 3HD2 LEU 29 -3.920 13.994 -0.102 230 H GLN 30 H GLN 30 -3.386 13.537 5.367 231 HA GLN 30 HA GLN 30 -1.325 12.425 7.151 232 1HB GLN 30 1HB GLN 30 -3.555 14.383 7.707 233 2HB GLN 30 2HB GLN 30 -2.578 13.635 8.966 234 1HG GLN 30 1HG GLN 30 -0.679 14.797 8.377 235 2HG GLN 30 2HG GLN 30 -1.233 15.073 6.728 236 1HE2 GLN 30 2HE2 GLN 30 -2.623 16.751 6.302 237 2HE2 GLN 30 1HE2 GLN 30 -2.909 18.038 7.425 238 H GLN 31 H GLN 31 -3.101 10.898 5.534 239 HA GLN 31 HA GLN 31 -4.133 9.184 7.616 240 1HB GLN 31 1HB GLN 31 -6.339 8.883 6.603 241 2HB GLN 31 2HB GLN 31 -6.111 10.549 7.106 242 1HG GLN 31 1HG GLN 31 -5.621 9.695 4.279 243 2HG GLN 31 2HG GLN 31 -7.238 10.092 4.857 244 1HE2 GLN 31 2HE2 GLN 31 -6.254 12.142 6.679 245 2HE2 GLN 31 1HE2 GLN 31 -5.819 13.501 5.694 246 H SER 32 H SER 32 -5.340 7.259 6.114 247 HA SER 32 HA SER 32 -3.129 6.099 4.731 248 1HB SER 32 1HB SER 32 -6.007 5.167 4.873 249 2HB SER 32 2HB SER 32 -4.622 4.195 4.371 250 HG SER 32 HG SER 32 -5.394 5.034 6.924 251 H PHE 33 H PHE 33 -2.746 5.932 2.580 252 HA PHE 33 HA PHE 33 -4.850 6.442 0.655 253 1HB PHE 33 1HB PHE 33 -3.644 8.182 -0.555 254 2HB PHE 33 2HB PHE 33 -3.968 8.708 1.091 255 HD1 PHE 33 HD1 PHE 33 -1.423 7.897 -1.360 256 HD2 PHE 33 HD2 PHE 33 -2.131 8.839 2.731 257 HE1 PHE 33 HE1 PHE 33 0.961 8.424 -1.071 258 HE2 PHE 33 HE2 PHE 33 0.251 9.367 3.025 259 HZ PHE 33 HZ PHE 33 1.802 9.160 1.124 260 H ILE 34 H ILE 34 -4.160 5.899 -1.555 261 HA ILE 34 HA ILE 34 -1.977 3.914 -1.497 262 HB ILE 34 HB ILE 34 -4.281 3.949 -3.444 263 1HG1 ILE 34 1HG1 ILE 34 -3.999 2.256 -0.949 264 2HG1 ILE 34 2HG1 ILE 34 -5.083 3.635 -1.103 265 1HG2 ILE 34 1HG2 ILE 34 -2.266 1.827 -2.721 266 2HG2 ILE 34 2HG2 ILE 34 -3.600 1.628 -3.857 267 3HG2 ILE 34 3HG2 ILE 34 -2.305 2.771 -4.211 268 1HD1 ILE 34 1HD1 ILE 34 -6.303 2.489 -2.869 269 2HD1 ILE 34 2HD1 ILE 34 -5.208 1.112 -2.736 270 3HD1 ILE 34 3HD1 ILE 34 -6.265 1.533 -1.388 271 H LEU 35 H LEU 35 -0.225 4.530 -2.544 272 HA LEU 35 HA LEU 35 -0.464 6.415 -4.793 273 1HB LEU 35 1HB LEU 35 0.985 7.162 -2.981 274 2HB LEU 35 2HB LEU 35 1.899 5.670 -3.062 275 HG LEU 35 HG LEU 35 2.664 6.293 -5.336 276 1HD1 LEU 35 1HD1 LEU 35 1.270 8.901 -4.746 277 2HD1 LEU 35 2HD1 LEU 35 2.329 8.582 -6.121 278 3HD1 LEU 35 3HD1 LEU 35 0.796 7.724 -5.970 279 1HD2 LEU 35 1HD2 LEU 35 4.042 6.787 -3.392 280 2HD2 LEU 35 2HD2 LEU 35 4.208 8.050 -4.613 281 3HD2 LEU 35 3HD2 LEU 35 3.216 8.331 -3.182 282 H MET 36 H MET 36 -0.252 5.603 -6.786 283 HA MET 36 HA MET 36 1.383 3.183 -7.146 284 1HB MET 36 1HB MET 36 -1.355 3.652 -8.348 285 2HB MET 36 2HB MET 36 -0.308 2.287 -8.701 286 1HG MET 36 1HG MET 36 -0.483 1.543 -6.391 287 2HG MET 36 2HG MET 36 -1.512 2.925 -6.019 288 1HE MET 36 1HE MET 36 -2.737 -0.455 -8.917 289 2HE MET 36 2HE MET 36 -1.188 -0.409 -8.074 290 3HE MET 36 3HE MET 36 -1.549 0.784 -9.322 291 HA PRO 37 HA PRO 37 2.732 5.331 -10.900 292 1HB PRO 37 1HB PRO 37 3.402 2.713 -12.008 293 2HB PRO 37 2HB PRO 37 4.485 4.023 -11.533 294 1HG PRO 37 1HG PRO 37 4.338 1.676 -10.183 295 2HG PRO 37 2HG PRO 37 4.743 3.215 -9.401 296 1HD PRO 37 1HD PRO 37 2.135 1.741 -9.451 297 2HD PRO 37 2HD PRO 37 2.922 2.594 -8.105 298 H ASP 38 H ASP 38 0.037 4.826 -10.590 299 HA ASP 38 HA ASP 38 -0.890 4.014 -13.229 300 1HB ASP 38 1HB ASP 38 -0.836 1.959 -11.758 301 2HB ASP 38 2HB ASP 38 -1.971 2.766 -10.685 302 H GLU 39 H GLU 39 -1.939 4.811 -9.928 303 HA GLU 39 HA GLU 39 -2.915 7.369 -10.736 304 1HB GLU 39 1HB GLU 39 -5.238 7.074 -10.094 305 2HB GLU 39 2HB GLU 39 -4.835 5.967 -11.396 306 1HG GLU 39 1HG GLU 39 -4.678 4.131 -9.832 307 2HG GLU 39 2HG GLU 39 -4.975 5.227 -8.483 308 H LEU 40 H LEU 40 -4.083 8.404 -8.755 309 HA LEU 40 HA LEU 40 -2.720 7.488 -6.308 310 1HB LEU 40 1HB LEU 40 -1.877 9.645 -7.069 311 2HB LEU 40 2HB LEU 40 -3.507 10.287 -7.129 312 HG LEU 40 HG LEU 40 -3.682 10.058 -4.679 313 1HD1 LEU 40 1HD1 LEU 40 -1.691 9.567 -3.358 314 2HD1 LEU 40 2HD1 LEU 40 -2.140 8.195 -4.371 315 3HD1 LEU 40 3HD1 LEU 40 -0.788 9.228 -4.834 316 1HD2 LEU 40 1HD2 LEU 40 -2.939 12.168 -5.651 317 2HD2 LEU 40 2HD2 LEU 40 -2.145 11.870 -4.104 318 3HD2 LEU 40 3HD2 LEU 40 -1.268 11.607 -5.612 319 H VAL 41 H VAL 41 -4.100 6.536 -4.980 320 HA VAL 41 HA VAL 41 -6.908 7.403 -4.962 321 HB VAL 41 HB VAL 41 -5.743 4.980 -3.586 322 1HG1 VAL 41 1HG1 VAL 41 -8.574 5.694 -4.327 323 2HG1 VAL 41 2HG1 VAL 41 -8.058 4.190 -3.566 324 3HG1 VAL 41 3HG1 VAL 41 -7.883 5.719 -2.704 325 1HG2 VAL 41 1HG2 VAL 41 -5.328 4.780 -5.973 326 2HG2 VAL 41 2HG2 VAL 41 -6.584 3.652 -5.466 327 3HG2 VAL 41 3HG2 VAL 41 -7.021 5.137 -6.313 328 H GLU 42 H GLU 42 -6.624 9.302 -3.742 329 HA GLU 42 HA GLU 42 -5.504 8.965 -1.065 330 1HB GLU 42 1HB GLU 42 -5.802 11.554 -1.065 331 2HB GLU 42 2HB GLU 42 -4.479 10.818 -1.955 332 1HG GLU 42 1HG GLU 42 -5.438 12.540 -3.291 333 2HG GLU 42 2HG GLU 42 -5.832 10.985 -4.018 334 H HIS 43 H HIS 43 -8.490 8.973 -2.573 335 HA HIS 43 HA HIS 43 -9.890 9.900 -0.184 336 1HB HIS 43 1HB HIS 43 -10.685 9.401 -3.002 337 2HB HIS 43 2HB HIS 43 -11.912 9.123 -1.769 338 HD1 HIS 43 HD1 HIS 43 -9.838 11.851 -3.314 339 HD2 HIS 43 HD2 HIS 43 -12.913 11.418 -0.541 340 HE1 HIS 43 HE1 HIS 43 -10.730 14.173 -2.911 341 HE2 HIS 43 HE2 HIS 43 -12.629 13.887 -1.277 342 H TRP 44 H TRP 44 -8.356 7.713 0.240 343 HA TRP 44 HA TRP 44 -10.404 5.709 0.895 344 1HB TRP 44 1HB TRP 44 -8.879 4.951 -0.990 345 2HB TRP 44 2HB TRP 44 -7.540 5.044 0.146 346 HD1 TRP 44 HD1 TRP 44 -10.924 3.170 -0.173 347 HE1 TRP 44 HE1 TRP 44 -10.629 0.820 0.844 348 HE3 TRP 44 HE3 TRP 44 -6.109 3.610 1.500 349 HZ2 TRP 44 HZ2 TRP 44 -8.618 -0.647 2.176 350 HZ3 TRP 44 HZ3 TRP 44 -5.074 1.686 2.634 351 HH2 TRP 44 HH2 TRP 44 -6.305 -0.397 2.965 352 HA PRO 45 HA PRO 45 -7.873 7.399 4.369 353 1HB PRO 45 1HB PRO 45 -9.924 8.669 5.702 354 2HB PRO 45 2HB PRO 45 -8.904 9.413 4.471 355 1HG PRO 45 1HG PRO 45 -11.700 8.761 4.320 356 2HG PRO 45 2HG PRO 45 -10.694 9.578 3.115 357 1HD PRO 45 1HD PRO 45 -11.569 6.777 3.232 358 2HD PRO 45 2HD PRO 45 -10.946 7.705 1.855 359 H VAL 46 H VAL 46 -7.681 5.184 5.060 360 HA VAL 46 HA VAL 46 -9.533 4.233 7.058 361 HB VAL 46 HB VAL 46 -6.705 3.319 6.458 362 1HG1 VAL 46 1HG1 VAL 46 -7.318 1.282 7.672 363 2HG1 VAL 46 2HG1 VAL 46 -7.419 2.703 8.710 364 3HG1 VAL 46 3HG1 VAL 46 -8.890 1.981 8.056 365 1HG2 VAL 46 1HG2 VAL 46 -8.155 3.024 4.535 366 2HG2 VAL 46 2HG2 VAL 46 -7.786 1.459 5.264 367 3HG2 VAL 46 3HG2 VAL 46 -9.356 2.211 5.539 368 HA PRO 47 HA PRO 47 -8.125 7.264 9.973 369 1HB PRO 47 1HB PRO 47 -9.185 5.990 12.205 370 2HB PRO 47 2HB PRO 47 -10.051 7.116 11.157 371 1HG PRO 47 1HG PRO 47 -10.077 4.133 11.170 372 2HG PRO 47 2HG PRO 47 -11.407 5.267 10.873 373 1HD PRO 47 1HD PRO 47 -10.208 3.957 8.867 374 2HD PRO 47 2HD PRO 47 -10.774 5.630 8.674 375 H SER 48 H SER 48 -7.909 3.899 11.163 376 HA SER 48 HA SER 48 -5.082 4.155 11.602 377 1HB SER 48 1HB SER 48 -6.930 3.868 13.987 378 2HB SER 48 2HB SER 48 -5.174 3.722 14.036 379 HG SER 48 HG SER 48 -5.741 6.014 12.835 380 H LEU 49 H LEU 49 -4.391 2.101 12.990 381 HA LEU 49 HA LEU 49 -5.469 -0.152 11.495 382 1HB LEU 49 1HB LEU 49 -3.044 0.125 13.270 383 2HB LEU 49 2HB LEU 49 -3.493 -1.348 12.431 384 HG LEU 49 HG LEU 49 -2.837 1.262 11.065 385 1HD1 LEU 49 1HD1 LEU 49 -1.175 -1.228 11.382 386 2HD1 LEU 49 2HD1 LEU 49 -0.749 0.191 10.428 387 3HD1 LEU 49 3HD1 LEU 49 -0.885 0.317 12.181 388 1HD2 LEU 49 1HD2 LEU 49 -4.362 -0.131 9.786 389 2HD2 LEU 49 2HD2 LEU 49 -2.762 -0.123 9.042 390 3HD2 LEU 49 3HD2 LEU 49 -3.290 -1.517 9.986 391 H GLY 50 H GLY 50 -6.845 1.138 13.819 392 1HA GLY 50 1HA GLY 50 -6.892 -0.857 15.880 393 2HA GLY 50 2HA GLY 50 -8.025 0.475 15.691 394 H GLN 51 H GLN 51 -8.159 -0.635 12.776 395 HA GLN 51 HA GLN 51 -9.818 -2.988 13.231 396 1HB GLN 51 1HB GLN 51 -10.761 -0.398 12.030 397 2HB GLN 51 2HB GLN 51 -11.503 -1.924 11.570 398 1HG GLN 51 1HG GLN 51 -11.297 -0.938 14.404 399 2HG GLN 51 2HG GLN 51 -12.698 -0.683 13.363 400 1HE2 GLN 51 2HE2 GLN 51 -12.400 -2.166 15.888 401 2HE2 GLN 51 1HE2 GLN 51 -12.946 -3.777 15.548 402 H LEU 52 H LEU 52 -9.306 -0.777 10.501 403 HA LEU 52 HA LEU 52 -8.829 -1.130 8.328 404 1HB LEU 52 1HB LEU 52 -6.582 -1.556 9.191 405 2HB LEU 52 2HB LEU 52 -6.980 -3.246 9.429 406 HG LEU 52 HG LEU 52 -7.188 -3.590 7.037 407 1HD1 LEU 52 1HD1 LEU 52 -8.101 -1.434 6.395 408 2HD1 LEU 52 2HD1 LEU 52 -6.569 -0.648 6.784 409 3HD1 LEU 52 3HD1 LEU 52 -6.657 -1.795 5.447 410 1HD2 LEU 52 1HD2 LEU 52 -4.868 -3.199 6.376 411 2HD2 LEU 52 2HD2 LEU 52 -4.662 -2.098 7.738 412 3HD2 LEU 52 3HD2 LEU 52 -4.970 -3.809 8.027 413 H GLN 53 H GLN 53 -10.809 -1.779 7.672 414 HA GLN 53 HA GLN 53 -11.662 -4.520 8.006 415 1HB GLN 53 1HB GLN 53 -12.993 -2.225 6.561 416 2HB GLN 53 2HB GLN 53 -13.744 -3.756 6.984 417 1HG GLN 53 1HG GLN 53 -13.642 -3.257 9.306 418 2HG GLN 53 2HG GLN 53 -12.634 -1.838 9.012 419 1HE2 GLN 53 2HE2 GLN 53 -15.834 -3.164 8.850 420 2HE2 GLN 53 1HE2 GLN 53 -16.665 -1.671 8.592 421 HA PRO 54 HA PRO 54 -10.126 -5.905 3.983 422 1HB PRO 54 1HB PRO 54 -12.099 -8.042 4.619 423 2HB PRO 54 2HB PRO 54 -10.412 -8.186 4.112 424 1HG PRO 54 1HG PRO 54 -11.112 -8.645 6.639 425 2HG PRO 54 2HG PRO 54 -9.598 -7.804 6.250 426 1HD PRO 54 1HD PRO 54 -12.191 -6.687 7.240 427 2HD PRO 54 2HD PRO 54 -10.529 -6.217 7.652 428 H ALA 55 H ALA 55 -13.437 -5.573 5.113 429 HA ALA 55 HA ALA 55 -14.636 -5.642 2.516 430 1HB ALA 55 1HB ALA 55 -16.649 -4.867 3.634 431 2HB ALA 55 2HB ALA 55 -15.900 -6.176 4.546 432 3HB ALA 55 3HB ALA 55 -15.723 -4.509 5.091 433 H HIS 56 H HIS 56 -12.747 -3.349 4.112 434 HA HIS 56 HA HIS 56 -13.827 -1.162 2.469 435 1HB HIS 56 1HB HIS 56 -13.243 -0.916 5.012 436 2HB HIS 56 2HB HIS 56 -11.582 -0.825 4.438 437 HD1 HIS 56 HD1 HIS 56 -14.897 0.942 3.949 438 HD2 HIS 56 HD2 HIS 56 -10.814 1.649 3.571 439 HE1 HIS 56 HE1 HIS 56 -14.678 3.382 3.373 440 HE2 HIS 56 HE2 HIS 56 -12.203 3.822 3.339 441 H MET 57 H MET 57 -11.333 -3.454 2.698 442 HA MET 57 HA MET 57 -9.490 -2.071 0.941 443 1HB MET 57 1HB MET 57 -9.524 -4.917 1.969 444 2HB MET 57 2HB MET 57 -8.231 -4.216 1.004 445 1HG MET 57 1HG MET 57 -7.775 -2.602 2.760 446 2HG MET 57 2HG MET 57 -9.093 -3.263 3.725 447 1HE MET 57 1HE MET 57 -6.559 -5.275 1.487 448 2HE MET 57 2HE MET 57 -5.282 -5.637 2.648 449 3HE MET 57 3HE MET 57 -5.565 -3.973 2.139 450 H ASP 58 H ASP 58 -12.389 -3.310 0.422 451 HA ASP 58 HA ASP 58 -12.144 -5.132 -1.680 452 1HB ASP 58 1HB ASP 58 -14.483 -4.618 -2.091 453 2HB ASP 58 2HB ASP 58 -14.198 -4.773 -0.373 454 H ALA 59 H ALA 59 -12.168 -1.628 -1.567 455 HA ALA 59 HA ALA 59 -12.342 -1.078 -4.306 456 1HB ALA 59 1HB ALA 59 -12.519 0.636 -2.564 457 2HB ALA 59 2HB ALA 59 -10.805 0.438 -2.197 458 3HB ALA 59 3HB ALA 59 -11.304 1.064 -3.769 459 H VAL 60 H VAL 60 -9.594 -1.924 -2.276 460 HA VAL 60 HA VAL 60 -7.589 -1.490 -4.245 461 HB VAL 60 HB VAL 60 -7.428 -3.350 -1.865 462 1HG1 VAL 60 1HG1 VAL 60 -5.612 -3.616 -3.457 463 2HG1 VAL 60 2HG1 VAL 60 -5.297 -1.880 -3.413 464 3HG1 VAL 60 3HG1 VAL 60 -5.027 -2.861 -1.974 465 1HG2 VAL 60 1HG2 VAL 60 -6.853 -0.391 -1.996 466 2HG2 VAL 60 2HG2 VAL 60 -8.173 -1.159 -1.116 467 3HG2 VAL 60 3HG2 VAL 60 -6.503 -1.444 -0.626 468 H LEU 61 H LEU 61 -9.443 -4.290 -3.166 469 HA LEU 61 HA LEU 61 -8.099 -6.201 -4.774 470 1HB LEU 61 1HB LEU 61 -10.907 -6.305 -3.670 471 2HB LEU 61 2HB LEU 61 -9.978 -7.671 -4.256 472 HG LEU 61 HG LEU 61 -9.337 -6.012 -1.815 473 1HD1 LEU 61 1HD1 LEU 61 -10.318 -8.849 -2.081 474 2HD1 LEU 61 2HD1 LEU 61 -9.888 -8.036 -0.577 475 3HD1 LEU 61 3HD1 LEU 61 -11.268 -7.473 -1.520 476 1HD2 LEU 61 1HD2 LEU 61 -7.948 -8.439 -2.945 477 2HD2 LEU 61 2HD2 LEU 61 -7.305 -6.798 -2.898 478 3HD2 LEU 61 3HD2 LEU 61 -7.589 -7.677 -1.396 479 H ALA 62 H ALA 62 -10.688 -3.962 -5.356 480 HA ALA 62 HA ALA 62 -11.634 -5.144 -7.769 481 1HB ALA 62 1HB ALA 62 -12.820 -3.042 -8.107 482 2HB ALA 62 2HB ALA 62 -13.008 -3.608 -6.447 483 3HB ALA 62 3HB ALA 62 -11.887 -2.295 -6.810 484 H LEU 63 H LEU 63 -9.369 -2.497 -7.049 485 HA LEU 63 HA LEU 63 -8.755 -1.938 -9.770 486 1HB LEU 63 1HB LEU 63 -7.129 -1.394 -7.279 487 2HB LEU 63 2HB LEU 63 -6.837 -0.689 -8.857 488 HG LEU 63 HG LEU 63 -9.298 -0.238 -7.165 489 1HD1 LEU 63 1HD1 LEU 63 -7.300 0.834 -6.255 490 2HD1 LEU 63 2HD1 LEU 63 -6.994 1.592 -7.818 491 3HD1 LEU 63 3HD1 LEU 63 -8.435 2.022 -6.895 492 1HD2 LEU 63 1HD2 LEU 63 -9.870 1.452 -8.834 493 2HD2 LEU 63 2HD2 LEU 63 -8.470 0.980 -9.796 494 3HD2 LEU 63 3HD2 LEU 63 -9.794 -0.158 -9.551 495 H ASN 64 H ASN 64 -7.366 -3.997 -7.305 496 HA ASN 64 HA ASN 64 -5.923 -5.732 -7.338 497 1HB ASN 64 1HB ASN 64 -7.803 -6.626 -8.698 498 2HB ASN 64 2HB ASN 64 -6.943 -6.129 -10.153 499 1HD2 ASN 64 2HD2 ASN 64 -5.204 -7.312 -10.855 500 2HD2 ASN 64 1HD2 ASN 64 -4.757 -8.833 -10.170 501 HA PRO 65 HA PRO 65 -2.421 -3.808 -9.565 502 1HB PRO 65 1HB PRO 65 -0.778 -3.639 -7.451 503 2HB PRO 65 2HB PRO 65 -2.043 -2.437 -7.733 504 1HG PRO 65 1HG PRO 65 -2.022 -4.756 -5.845 505 2HG PRO 65 2HG PRO 65 -2.610 -3.104 -5.583 506 1HD PRO 65 1HD PRO 65 -4.231 -5.239 -6.191 507 2HD PRO 65 2HD PRO 65 -4.638 -3.548 -6.541 508 H ALA 66 H ALA 66 -0.107 -4.644 -9.622 509 HA ALA 66 HA ALA 66 -0.147 -7.513 -9.809 510 1HB ALA 66 1HB ALA 66 2.135 -7.281 -10.667 511 2HB ALA 66 2HB ALA 66 1.034 -6.167 -11.480 512 3HB ALA 66 3HB ALA 66 2.128 -5.572 -10.233 513 H VAL 67 H VAL 67 1.266 -5.083 -7.703 514 HA VAL 67 HA VAL 67 1.559 -7.099 -5.628 515 HB VAL 67 HB VAL 67 3.748 -7.175 -6.719 516 1HG1 VAL 67 1HG1 VAL 67 3.909 -4.224 -6.139 517 2HG1 VAL 67 2HG1 VAL 67 5.234 -5.227 -6.731 518 3HG1 VAL 67 3HG1 VAL 67 3.800 -4.981 -7.728 519 1HG2 VAL 67 1HG2 VAL 67 3.849 -5.777 -4.050 520 2HG2 VAL 67 2HG2 VAL 67 3.679 -7.513 -4.318 521 3HG2 VAL 67 3HG2 VAL 67 5.169 -6.689 -4.782 522 H ILE 68 H ILE 68 1.596 -6.176 -3.500 523 HA ILE 68 HA ILE 68 0.948 -3.306 -3.469 524 HB ILE 68 HB ILE 68 -1.126 -4.509 -3.215 525 1HG1 ILE 68 1HG1 ILE 68 -0.212 -3.445 -0.532 526 2HG1 ILE 68 2HG1 ILE 68 -0.794 -2.460 -1.869 527 1HG2 ILE 68 1HG2 ILE 68 0.180 -5.938 -0.908 528 2HG2 ILE 68 2HG2 ILE 68 -1.519 -6.065 -1.368 529 3HG2 ILE 68 3HG2 ILE 68 -0.264 -6.644 -2.462 530 1HD1 ILE 68 1HD1 ILE 68 -2.515 -2.777 -0.190 531 2HD1 ILE 68 2HD1 ILE 68 -2.977 -3.540 -1.712 532 3HD1 ILE 68 3HD1 ILE 68 -2.389 -4.526 -0.373 533 H LEU 69 H LEU 69 1.895 -2.093 -1.970 534 HA LEU 69 HA LEU 69 3.541 -3.432 0.077 535 1HB LEU 69 1HB LEU 69 3.852 -0.649 -1.067 536 2HB LEU 69 2HB LEU 69 4.901 -1.399 0.119 537 HG LEU 69 HG LEU 69 4.576 -2.275 -2.752 538 1HD1 LEU 69 1HD1 LEU 69 6.887 -1.476 -2.980 539 2HD1 LEU 69 2HD1 LEU 69 5.770 -0.177 -2.556 540 3HD1 LEU 69 3HD1 LEU 69 6.826 -0.867 -1.325 541 1HD2 LEU 69 1HD2 LEU 69 6.419 -3.286 -0.590 542 2HD2 LEU 69 2HD2 LEU 69 5.050 -4.159 -1.279 543 3HD2 LEU 69 3HD2 LEU 69 6.447 -3.777 -2.284 544 H LEU 70 H LEU 70 2.991 -3.091 2.155 545 HA LEU 70 HA LEU 70 0.964 -1.024 2.685 546 1HB LEU 70 1HB LEU 70 0.318 -3.374 3.151 547 2HB LEU 70 2HB LEU 70 1.636 -3.484 4.301 548 HG LEU 70 HG LEU 70 0.565 -1.712 5.662 549 1HD1 LEU 70 1HD1 LEU 70 -0.664 -0.587 3.880 550 2HD1 LEU 70 2HD1 LEU 70 -1.696 -2.004 3.689 551 3HD1 LEU 70 3HD1 LEU 70 -1.743 -1.073 5.186 552 1HD2 LEU 70 1HD2 LEU 70 -1.180 -4.097 5.060 553 2HD2 LEU 70 2HD2 LEU 70 0.182 -4.062 6.179 554 3HD2 LEU 70 3HD2 LEU 70 -1.260 -3.102 6.513 555 H GLY 71 H GLY 71 1.789 0.756 3.537 556 1HA GLY 71 1HA GLY 71 4.111 0.507 5.346 557 2HA GLY 71 2HA GLY 71 3.704 1.952 4.427 558 H THR 72 H THR 72 3.401 0.359 7.389 559 HA THR 72 HA THR 72 0.983 1.801 8.139 560 HB THR 72 HB THR 72 1.122 0.464 10.237 561 HG1 THR 72 HG1 THR 72 3.246 -0.032 10.470 562 1HG2 THR 72 1HG2 THR 72 1.263 -1.124 7.667 563 2HG2 THR 72 2HG2 THR 72 0.583 -1.695 9.190 564 3HG2 THR 72 3HG2 THR 72 -0.176 -0.353 8.333 565 H GLY 73 H GLY 73 2.198 3.874 7.951 566 1HA GLY 73 1HA GLY 73 3.211 5.701 8.908 567 2HA GLY 73 2HA GLY 73 2.710 5.004 10.441 568 H GLU 74 H GLU 74 4.456 5.300 11.698 569 HA GLU 74 HA GLU 74 6.993 4.134 10.766 570 1HB GLU 74 1HB GLU 74 6.894 6.584 11.561 571 2HB GLU 74 2HB GLU 74 6.663 5.925 13.174 572 1HG GLU 74 1HG GLU 74 8.966 6.427 12.928 573 2HG GLU 74 2HG GLU 74 8.800 4.673 12.891 574 H ARG 75 H ARG 75 4.534 2.864 11.804 575 HA ARG 75 HA ARG 75 5.693 1.407 14.087 576 1HB ARG 75 1HB ARG 75 2.814 2.249 13.677 577 2HB ARG 75 2HB ARG 75 3.341 1.118 14.910 578 1HG ARG 75 1HG ARG 75 4.322 3.954 14.730 579 2HG ARG 75 2HG ARG 75 2.934 3.451 15.698 580 1HD ARG 75 1HD ARG 75 5.812 2.635 16.015 581 2HD ARG 75 2HD ARG 75 4.801 3.516 17.160 582 HE ARG 75 HE ARG 75 4.988 0.688 16.854 583 1HH1 ARG 75 1HH1 ARG 75 2.767 3.263 17.737 584 2HH1 ARG 75 2HH1 ARG 75 1.731 2.231 18.668 585 1HH2 ARG 75 1HH2 ARG 75 3.640 -0.664 18.093 586 2HH2 ARG 75 2HH2 ARG 75 2.222 -0.014 18.861 587 H GLN 76 H GLN 76 6.347 -0.396 12.891 588 HA GLN 76 HA GLN 76 4.757 -1.472 10.787 589 1HB GLN 76 1HB GLN 76 7.222 -1.784 10.951 590 2HB GLN 76 2HB GLN 76 6.965 -2.844 12.332 591 1HG GLN 76 1HG GLN 76 5.647 -4.348 10.895 592 2HG GLN 76 2HG GLN 76 6.000 -3.308 9.519 593 1HE2 GLN 76 2HE2 GLN 76 8.730 -2.775 10.488 594 2HE2 GLN 76 1HE2 GLN 76 9.636 -4.213 10.151 595 H GLN 77 H GLN 77 2.747 -2.052 11.363 596 HA GLN 77 HA GLN 77 2.375 -3.799 13.685 597 1HB GLN 77 1HB GLN 77 0.333 -2.413 11.932 598 2HB GLN 77 2HB GLN 77 -0.031 -3.370 13.358 599 1HG GLN 77 1HG GLN 77 1.628 -0.863 13.398 600 2HG GLN 77 2HG GLN 77 -0.108 -0.906 13.692 601 1HE2 GLN 77 2HE2 GLN 77 -0.005 -0.180 15.765 602 2HE2 GLN 77 1HE2 GLN 77 0.672 -1.102 17.063 603 H PHE 78 H PHE 78 1.415 -5.825 13.491 604 HA PHE 78 HA PHE 78 1.658 -7.032 10.854 605 1HB PHE 78 1HB PHE 78 1.077 -8.286 13.548 606 2HB PHE 78 2HB PHE 78 1.338 -9.173 12.049 607 HD1 PHE 78 HD1 PHE 78 3.568 -9.038 10.928 608 HD2 PHE 78 HD2 PHE 78 2.888 -7.535 14.849 609 HE1 PHE 78 HE1 PHE 78 5.993 -9.050 11.350 610 HE2 PHE 78 HE2 PHE 78 5.307 -7.545 15.278 611 HZ PHE 78 HZ PHE 78 6.865 -8.301 13.527 612 HA PRO 79 HA PRO 79 -2.644 -6.193 10.171 613 1HB PRO 79 1HB PRO 79 -2.292 -7.996 7.861 614 2HB PRO 79 2HB PRO 79 -2.785 -6.301 7.901 615 1HG PRO 79 1HG PRO 79 -0.365 -7.030 7.016 616 2HG PRO 79 2HG PRO 79 -0.609 -5.529 7.930 617 1HD PRO 79 1HD PRO 79 0.484 -8.158 8.859 618 2HD PRO 79 2HD PRO 79 1.028 -6.512 9.246 619 H SER 80 H SER 80 -4.623 -7.263 10.204 620 HA SER 80 HA SER 80 -4.785 -9.629 11.688 621 1HB SER 80 1HB SER 80 -6.938 -8.433 9.929 622 2HB SER 80 2HB SER 80 -7.169 -9.469 11.340 623 HG SER 80 HG SER 80 -7.347 -7.036 11.552 624 H THR 81 H THR 81 -5.644 -11.700 11.065 625 HA THR 81 HA THR 81 -4.322 -12.792 8.843 626 HB THR 81 HB THR 81 -6.667 -14.088 10.224 627 HG1 THR 81 HG1 THR 81 -4.792 -14.907 11.610 628 1HG2 THR 81 1HG2 THR 81 -4.112 -15.196 9.044 629 2HG2 THR 81 2HG2 THR 81 -5.397 -16.141 9.796 630 3HG2 THR 81 3HG2 THR 81 -5.707 -15.269 8.294 631 H ASP 82 H ASP 82 -7.584 -11.594 9.283 632 HA ASP 82 HA ASP 82 -8.824 -12.586 6.994 633 1HB ASP 82 1HB ASP 82 -9.200 -9.877 8.300 634 2HB ASP 82 2HB ASP 82 -10.307 -10.607 7.144 635 H VAL 83 H VAL 83 -6.795 -9.742 7.443 636 HA VAL 83 HA VAL 83 -7.009 -8.735 4.802 637 HB VAL 83 HB VAL 83 -4.786 -8.342 6.819 638 1HG1 VAL 83 1HG1 VAL 83 -5.498 -6.738 4.366 639 2HG1 VAL 83 2HG1 VAL 83 -4.274 -6.301 5.557 640 3HG1 VAL 83 3HG1 VAL 83 -4.068 -7.750 4.574 641 1HG2 VAL 83 1HG2 VAL 83 -7.230 -6.664 6.263 642 2HG2 VAL 83 2HG2 VAL 83 -6.957 -7.658 7.695 643 3HG2 VAL 83 3HG2 VAL 83 -5.931 -6.258 7.385 644 H LEU 84 H LEU 84 -4.673 -10.831 6.432 645 HA LEU 84 HA LEU 84 -2.865 -11.133 4.306 646 1HB LEU 84 1HB LEU 84 -3.549 -13.117 6.478 647 2HB LEU 84 2HB LEU 84 -2.107 -13.145 5.484 648 HG LEU 84 HG LEU 84 -2.812 -10.975 7.463 649 1HD1 LEU 84 1HD1 LEU 84 -2.255 -13.075 8.564 650 2HD1 LEU 84 2HD1 LEU 84 -0.769 -13.186 7.621 651 3HD1 LEU 84 3HD1 LEU 84 -0.976 -11.882 8.791 652 1HD2 LEU 84 1HD2 LEU 84 -0.323 -11.428 5.818 653 2HD2 LEU 84 2HD2 LEU 84 -1.500 -10.135 5.591 654 3HD2 LEU 84 3HD2 LEU 84 -0.525 -10.190 7.059 655 H ALA 85 H ALA 85 -5.654 -13.086 5.291 656 HA ALA 85 HA ALA 85 -5.443 -15.050 3.298 657 1HB ALA 85 1HB ALA 85 -7.749 -15.606 3.834 658 2HB ALA 85 2HB ALA 85 -6.827 -15.302 5.307 659 3HB ALA 85 3HB ALA 85 -7.933 -14.075 4.692 660 H ALA 86 H ALA 86 -7.148 -11.947 3.352 661 HA ALA 86 HA ALA 86 -8.545 -12.197 0.947 662 1HB ALA 86 1HB ALA 86 -8.963 -10.417 2.568 663 2HB ALA 86 2HB ALA 86 -7.406 -9.690 2.175 664 3HB ALA 86 3HB ALA 86 -8.677 -9.762 0.955 665 H CYS 87 H CYS 87 -5.292 -10.909 1.561 666 HA CYS 87 HA CYS 87 -4.754 -10.144 -1.099 667 1HB CYS 87 1HB CYS 87 -2.782 -10.949 1.049 668 2HB CYS 87 2HB CYS 87 -2.419 -10.007 -0.394 669 HG CYS 87 HG CYS 87 -4.325 -9.026 2.272 670 H LEU 88 H LEU 88 -4.192 -13.153 0.663 671 HA LEU 88 HA LEU 88 -2.714 -14.422 -1.411 672 1HB LEU 88 1HB LEU 88 -4.252 -15.612 0.895 673 2HB LEU 88 2HB LEU 88 -3.135 -16.493 -0.130 674 HG LEU 88 HG LEU 88 -2.401 -14.189 1.686 675 1HD1 LEU 88 1HD1 LEU 88 -2.988 -16.216 2.914 676 2HD1 LEU 88 2HD1 LEU 88 -1.851 -17.143 1.935 677 3HD1 LEU 88 3HD1 LEU 88 -1.260 -15.881 3.016 678 1HD2 LEU 88 1HD2 LEU 88 -0.674 -15.991 -0.011 679 2HD2 LEU 88 2HD2 LEU 88 -0.987 -14.279 -0.298 680 3HD2 LEU 88 3HD2 LEU 88 -0.089 -14.784 1.135 681 H THR 89 H THR 89 -6.121 -14.197 -0.631 682 HA THR 89 HA THR 89 -6.941 -16.229 -2.480 683 HB THR 89 HB THR 89 -8.634 -14.022 -1.287 684 HG1 THR 89 HG1 THR 89 -7.788 -15.102 0.439 685 1HG2 THR 89 1HG2 THR 89 -9.364 -16.764 -2.330 686 2HG2 THR 89 2HG2 THR 89 -10.479 -15.603 -1.609 687 3HG2 THR 89 3HG2 THR 89 -9.691 -15.236 -3.144 688 H ARG 90 H ARG 90 -6.391 -12.785 -2.598 689 HA ARG 90 HA ARG 90 -7.654 -12.457 -5.168 690 1HB ARG 90 1HB ARG 90 -7.287 -10.702 -3.252 691 2HB ARG 90 2HB ARG 90 -5.718 -10.482 -4.017 692 1HG ARG 90 1HG ARG 90 -7.329 -8.847 -4.819 693 2HG ARG 90 2HG ARG 90 -6.814 -9.923 -6.122 694 1HD ARG 90 1HD ARG 90 -8.843 -11.227 -5.887 695 2HD ARG 90 2HD ARG 90 -9.348 -10.241 -4.518 696 HE ARG 90 HE ARG 90 -9.079 -8.419 -6.487 697 1HH1 ARG 90 1HH1 ARG 90 -10.730 -11.497 -6.328 698 2HH1 ARG 90 2HH1 ARG 90 -11.992 -11.033 -7.425 699 1HH2 ARG 90 1HH2 ARG 90 -10.750 -7.779 -7.901 700 2HH2 ARG 90 2HH2 ARG 90 -12.016 -8.903 -8.307 701 H GLY 91 H GLY 91 -4.582 -13.373 -3.966 702 1HA GLY 91 1HA GLY 91 -2.892 -14.401 -5.208 703 2HA GLY 91 2HA GLY 91 -3.647 -13.808 -6.680 704 H ILE 92 H ILE 92 -2.818 -11.816 -3.900 705 HA ILE 92 HA ILE 92 -0.800 -10.472 -5.584 706 HB ILE 92 HB ILE 92 -2.622 -9.122 -3.580 707 1HG1 ILE 92 1HG1 ILE 92 -2.729 -9.040 -6.606 708 2HG1 ILE 92 2HG1 ILE 92 -3.844 -9.946 -5.586 709 1HG2 ILE 92 1HG2 ILE 92 -0.462 -8.027 -3.851 710 2HG2 ILE 92 2HG2 ILE 92 -0.691 -7.985 -5.599 711 3HG2 ILE 92 3HG2 ILE 92 -1.754 -7.050 -4.546 712 1HD1 ILE 92 1HD1 ILE 92 -4.828 -7.859 -6.331 713 2HD1 ILE 92 2HD1 ILE 92 -4.609 -7.858 -4.580 714 3HD1 ILE 92 3HD1 ILE 92 -3.496 -6.957 -5.608 715 H GLY 93 H GLY 93 1.178 -10.324 -4.715 716 1HA GLY 93 1HA GLY 93 1.740 -11.341 -2.104 717 2HA GLY 93 2HA GLY 93 2.887 -10.560 -3.185 718 H LEU 94 H LEU 94 1.922 -10.327 -0.206 719 HA LEU 94 HA LEU 94 1.551 -7.409 -0.194 720 1HB LEU 94 1HB LEU 94 -0.323 -8.587 0.784 721 2HB LEU 94 2HB LEU 94 0.747 -9.496 1.832 722 HG LEU 94 HG LEU 94 1.367 -7.361 2.967 723 1HD1 LEU 94 1HD1 LEU 94 0.842 -5.815 1.166 724 2HD1 LEU 94 2HD1 LEU 94 -0.869 -6.224 1.297 725 3HD1 LEU 94 3HD1 LEU 94 -0.052 -5.403 2.629 726 1HD2 LEU 94 1HD2 LEU 94 -0.728 -7.155 4.216 727 2HD2 LEU 94 2HD2 LEU 94 -1.567 -8.060 2.956 728 3HD2 LEU 94 3HD2 LEU 94 -0.312 -8.844 3.916 729 H GLU 95 H GLU 95 3.177 -6.225 0.509 730 HA GLU 95 HA GLU 95 5.149 -7.428 2.336 731 1HB GLU 95 1HB GLU 95 5.337 -5.068 0.461 732 2HB GLU 95 2HB GLU 95 6.560 -5.432 1.669 733 1HG GLU 95 1HG GLU 95 5.731 -7.281 -0.553 734 2HG GLU 95 2HG GLU 95 7.143 -6.225 -0.584 735 H ALA 96 H ALA 96 4.989 -6.847 4.409 736 HA ALA 96 HA ALA 96 3.469 -4.418 5.068 737 1HB ALA 96 1HB ALA 96 4.177 -6.767 6.829 738 2HB ALA 96 2HB ALA 96 3.174 -5.390 7.287 739 3HB ALA 96 3HB ALA 96 2.624 -6.503 6.035 740 H MET 97 H MET 97 4.658 -2.680 5.457 741 HA MET 97 HA MET 97 7.050 -2.894 7.123 742 1HB MET 97 1HB MET 97 7.028 -1.584 4.391 743 2HB MET 97 2HB MET 97 8.341 -1.458 5.552 744 1HG MET 97 1HG MET 97 8.749 -3.840 5.388 745 2HG MET 97 2HG MET 97 7.382 -4.017 4.288 746 1HE MET 97 1HE MET 97 10.280 -5.123 3.640 747 2HE MET 97 2HE MET 97 10.458 -4.639 1.953 748 3HE MET 97 3HE MET 97 8.915 -5.271 2.531 749 H THR 98 H THR 98 7.945 -0.372 7.106 750 HA THR 98 HA THR 98 5.693 1.229 8.043 751 HB THR 98 HB THR 98 7.552 2.819 8.739 752 HG1 THR 98 HG1 THR 98 9.656 2.041 8.636 753 1HG2 THR 98 1HG2 THR 98 7.666 0.005 9.836 754 2HG2 THR 98 2HG2 THR 98 8.256 1.453 10.651 755 3HG2 THR 98 3HG2 THR 98 6.531 1.261 10.332 756 H ASN 99 H ASN 99 5.891 3.666 7.426 757 HA ASN 99 HA ASN 99 5.569 3.906 4.642 758 1HB ASN 99 1HB ASN 99 5.891 5.936 6.837 759 2HB ASN 99 2HB ASN 99 5.791 6.436 5.152 760 1HD2 ASN 99 2HD2 ASN 99 3.972 7.001 7.330 761 2HD2 ASN 99 1HD2 ASN 99 2.432 6.364 6.852 762 H ALA 100 H ALA 100 8.344 4.492 6.719 763 HA ALA 100 HA ALA 100 9.925 5.733 4.696 764 1HB ALA 100 1HB ALA 100 11.778 5.460 6.269 765 2HB ALA 100 2HB ALA 100 10.351 6.128 7.061 766 3HB ALA 100 3HB ALA 100 10.768 4.428 7.281 767 H ALA 101 H ALA 101 9.691 2.447 5.999 768 HA ALA 101 HA ALA 101 11.808 1.395 4.414 769 1HB ALA 101 1HB ALA 101 9.544 -0.053 5.785 770 2HB ALA 101 2HB ALA 101 11.008 -0.795 5.141 771 3HB ALA 101 3HB ALA 101 11.113 0.328 6.495 772 H ALA 102 H ALA 102 8.286 1.471 4.066 773 HA ALA 102 HA ALA 102 8.139 -0.144 1.760 774 1HB ALA 102 1HB ALA 102 6.200 0.353 3.174 775 2HB ALA 102 2HB ALA 102 6.247 2.034 2.641 776 3HB ALA 102 3HB ALA 102 5.894 0.750 1.483 777 H ALA 103 H ALA 103 8.690 3.305 2.204 778 HA ALA 103 HA ALA 103 8.392 4.098 -0.483 779 1HB ALA 103 1HB ALA 103 10.199 5.291 1.620 780 2HB ALA 103 2HB ALA 103 9.673 6.074 0.131 781 3HB ALA 103 3HB ALA 103 8.496 5.687 1.387 782 H ARG 104 H ARG 104 11.133 2.836 1.326 783 HA ARG 104 HA ARG 104 13.091 3.095 -0.683 784 1HB ARG 104 1HB ARG 104 13.794 2.690 1.559 785 2HB ARG 104 2HB ARG 104 12.812 1.239 1.677 786 1HG ARG 104 1HG ARG 104 14.268 0.110 0.083 787 2HG ARG 104 2HG ARG 104 15.244 1.574 -0.064 788 1HD ARG 104 1HD ARG 104 14.772 0.195 2.567 789 2HD ARG 104 2HD ARG 104 16.114 -0.226 1.504 790 HE ARG 104 HE ARG 104 17.018 1.960 1.837 791 1HH1 ARG 104 1HH1 ARG 104 14.274 1.224 3.888 792 2HH1 ARG 104 2HH1 ARG 104 14.678 2.409 5.094 793 1HH2 ARG 104 1HH2 ARG 104 17.587 3.485 3.425 794 2HH2 ARG 104 2HH2 ARG 104 16.579 3.706 4.827 795 H THR 105 H THR 105 10.981 0.385 0.212 796 HA THR 105 HA THR 105 11.857 -1.376 -1.813 797 HB THR 105 HB THR 105 9.132 -1.361 -0.502 798 HG1 THR 105 HG1 THR 105 10.069 -2.326 1.244 799 1HG2 THR 105 1HG2 THR 105 10.852 -3.609 -1.562 800 2HG2 THR 105 2HG2 THR 105 9.271 -3.787 -0.803 801 3HG2 THR 105 3HG2 THR 105 9.416 -2.955 -2.351 802 H TYR 106 H TYR 106 9.319 1.060 -1.678 803 HA TYR 106 HA TYR 106 7.998 0.420 -4.074 804 1HB TYR 106 1HB TYR 106 7.021 1.896 -2.385 805 2HB TYR 106 2HB TYR 106 8.276 3.093 -2.683 806 HD1 TYR 106 HD1 TYR 106 7.937 4.766 -4.276 807 HD2 TYR 106 HD2 TYR 106 5.475 1.298 -4.358 808 HE1 TYR 106 HE1 TYR 106 6.527 5.817 -5.995 809 HE2 TYR 106 HE2 TYR 106 4.058 2.339 -6.076 810 HH TYR 106 HH TYR 106 4.966 5.155 -7.756 811 H ASN 107 H ASN 107 10.793 2.449 -3.388 812 HA ASN 107 HA ASN 107 11.080 3.732 -5.836 813 1HB ASN 107 1HB ASN 107 12.456 4.364 -3.962 814 2HB ASN 107 2HB ASN 107 13.185 2.765 -3.891 815 1HD2 ASN 107 2HD2 ASN 107 13.034 5.770 -5.656 816 2HD2 ASN 107 1HD2 ASN 107 14.491 5.542 -6.561 817 H VAL 108 H VAL 108 12.215 0.534 -4.838 818 HA VAL 108 HA VAL 108 13.605 -0.072 -7.224 819 HB VAL 108 HB VAL 108 12.344 -1.989 -5.253 820 1HG1 VAL 108 1HG1 VAL 108 13.999 -3.598 -6.092 821 2HG1 VAL 108 2HG1 VAL 108 12.888 -3.076 -7.358 822 3HG1 VAL 108 3HG1 VAL 108 14.522 -2.420 -7.296 823 1HG2 VAL 108 1HG2 VAL 108 15.130 -0.833 -5.349 824 2HG2 VAL 108 2HG2 VAL 108 13.890 -0.478 -4.146 825 3HG2 VAL 108 3HG2 VAL 108 14.584 -2.096 -4.245 826 H LEU 109 H LEU 109 10.356 -0.978 -6.093 827 HA LEU 109 HA LEU 109 9.666 -2.489 -8.367 828 1HB LEU 109 1HB LEU 109 7.865 -1.072 -6.402 829 2HB LEU 109 2HB LEU 109 7.351 -2.300 -7.543 830 HG LEU 109 HG LEU 109 9.265 -2.710 -5.242 831 1HD1 LEU 109 1HD1 LEU 109 6.940 -2.439 -4.544 832 2HD1 LEU 109 2HD1 LEU 109 6.451 -3.698 -5.680 833 3HD1 LEU 109 3HD1 LEU 109 7.492 -4.098 -4.313 834 1HD2 LEU 109 1HD2 LEU 109 8.189 -4.676 -7.258 835 2HD2 LEU 109 2HD2 LEU 109 9.857 -4.112 -7.142 836 3HD2 LEU 109 3HD2 LEU 109 9.160 -5.078 -5.841 837 H ALA 110 H ALA 110 9.228 0.922 -7.587 838 HA ALA 110 HA ALA 110 7.590 1.561 -9.810 839 1HB ALA 110 1HB ALA 110 7.758 3.005 -7.838 840 2HB ALA 110 2HB ALA 110 9.435 3.368 -8.249 841 3HB ALA 110 3HB ALA 110 8.133 3.883 -9.322 842 H SER 111 H SER 111 11.035 1.235 -9.381 843 HA SER 111 HA SER 111 11.752 2.506 -11.842 844 1HB SER 111 1HB SER 111 13.324 0.595 -10.098 845 2HB SER 111 2HB SER 111 13.988 1.553 -11.422 846 HG SER 111 HG SER 111 12.925 2.450 -8.949 847 H GLU 112 H GLU 112 11.030 -0.784 -10.818 848 HA GLU 112 HA GLU 112 11.758 -2.072 -13.219 849 1HB GLU 112 1HB GLU 112 9.842 -2.800 -11.007 850 2HB GLU 112 2HB GLU 112 10.229 -3.862 -12.339 851 1HG GLU 112 1HG GLU 112 12.613 -3.770 -11.655 852 2HG GLU 112 2HG GLU 112 12.111 -2.844 -10.240 853 H GLY 113 H GLY 113 9.067 -0.151 -12.277 854 1HA GLY 113 1HA GLY 113 7.366 0.691 -13.614 855 2HA GLY 113 2HA GLY 113 7.912 -0.357 -14.918 856 H ARG 114 H ARG 114 7.366 -1.753 -11.820 857 HA ARG 114 HA ARG 114 5.201 -3.328 -12.937 858 1HB ARG 114 1HB ARG 114 6.626 -3.525 -10.275 859 2HB ARG 114 2HB ARG 114 5.389 -4.644 -10.838 860 1HG ARG 114 1HG ARG 114 6.837 -5.193 -12.773 861 2HG ARG 114 2HG ARG 114 8.090 -4.165 -12.080 862 1HD ARG 114 1HD ARG 114 8.505 -6.498 -11.546 863 2HD ARG 114 2HD ARG 114 8.149 -5.579 -10.085 864 HE ARG 114 HE ARG 114 6.329 -6.905 -9.745 865 1HH1 ARG 114 1HH1 ARG 114 7.286 -7.211 -13.107 866 2HH1 ARG 114 2HH1 ARG 114 6.145 -8.477 -13.446 867 1HH2 ARG 114 1HH2 ARG 114 4.828 -8.582 -10.202 868 2HH2 ARG 114 2HH2 ARG 114 4.763 -9.244 -11.812 869 H ARG 115 H ARG 115 3.114 -3.275 -12.301 870 HA ARG 115 HA ARG 115 2.158 -0.874 -11.142 871 1HB ARG 115 1HB ARG 115 1.005 -2.413 -12.857 872 2HB ARG 115 2HB ARG 115 0.514 -3.373 -11.470 873 1HG ARG 115 1HG ARG 115 -0.653 -1.455 -10.534 874 2HG ARG 115 2HG ARG 115 -0.138 -0.465 -11.902 875 1HD ARG 115 1HD ARG 115 -1.322 -2.058 -13.408 876 2HD ARG 115 2HD ARG 115 -1.940 -2.879 -11.976 877 HE ARG 115 HE ARG 115 -2.532 -0.051 -12.602 878 1HH1 ARG 115 1HH1 ARG 115 -3.535 -3.242 -11.543 879 2HH1 ARG 115 2HH1 ARG 115 -5.168 -2.752 -11.193 880 1HH2 ARG 115 1HH2 ARG 115 -4.666 0.599 -12.156 881 2HH2 ARG 115 2HH2 ARG 115 -5.808 -0.558 -11.543 882 H VAL 116 H VAL 116 3.063 -0.714 -9.124 883 HA VAL 116 HA VAL 116 2.224 -2.671 -7.114 884 HB VAL 116 HB VAL 116 4.610 -2.383 -7.152 885 1HG1 VAL 116 1HG1 VAL 116 4.736 -0.225 -8.255 886 2HG1 VAL 116 2HG1 VAL 116 4.102 0.569 -6.815 887 3HG1 VAL 116 3HG1 VAL 116 5.683 -0.213 -6.767 888 1HG2 VAL 116 1HG2 VAL 116 3.610 -2.645 -4.950 889 2HG2 VAL 116 2HG2 VAL 116 5.042 -1.618 -4.867 890 3HG2 VAL 116 3HG2 VAL 116 3.433 -0.896 -4.808 891 H ALA 117 H ALA 117 0.957 -2.108 -5.443 892 HA ALA 117 HA ALA 117 -0.090 0.631 -5.404 893 1HB ALA 117 1HB ALA 117 -1.739 -1.174 -5.575 894 2HB ALA 117 2HB ALA 117 -1.143 -1.861 -4.066 895 3HB ALA 117 3HB ALA 117 -1.920 -0.278 -4.066 896 H LEU 118 H LEU 118 1.185 1.883 -4.157 897 HA LEU 118 HA LEU 118 2.313 0.822 -1.700 898 1HB LEU 118 1HB LEU 118 3.672 2.284 -3.126 899 2HB LEU 118 2HB LEU 118 2.497 3.570 -2.937 900 HG LEU 118 HG LEU 118 2.999 3.630 -0.508 901 1HD1 LEU 118 1HD1 LEU 118 3.774 1.344 -0.229 902 2HD1 LEU 118 2HD1 LEU 118 5.179 1.683 -1.240 903 3HD1 LEU 118 3HD1 LEU 118 4.997 2.492 0.317 904 1HD2 LEU 118 1HD2 LEU 118 5.176 4.715 -0.730 905 2HD2 LEU 118 2HD2 LEU 118 5.377 3.991 -2.326 906 3HD2 LEU 118 3HD2 LEU 118 4.095 5.170 -2.047 907 H ALA 119 H ALA 119 0.640 0.499 -0.306 908 HA ALA 119 HA ALA 119 -1.293 2.605 0.180 909 1HB ALA 119 1HB ALA 119 -0.936 -0.057 1.558 910 2HB ALA 119 2HB ALA 119 -2.298 1.044 1.762 911 3HB ALA 119 3HB ALA 119 -2.021 0.266 0.206 912 H MET 120 H MET 120 -0.306 4.307 1.112 913 HA MET 120 HA MET 120 1.480 3.840 3.377 914 1HB MET 120 1HB MET 120 0.860 6.349 1.811 915 2HB MET 120 2HB MET 120 1.938 6.292 3.198 916 1HG MET 120 1HG MET 120 3.360 4.685 1.986 917 2HG MET 120 2HG MET 120 2.304 4.850 0.584 918 1HE MET 120 1HE MET 120 4.805 8.315 2.320 919 2HE MET 120 2HE MET 120 4.833 6.674 2.969 920 3HE MET 120 3HE MET 120 3.373 7.654 3.110 921 H ILE 121 H ILE 121 0.559 3.686 5.259 922 HA ILE 121 HA ILE 121 -1.938 5.094 5.800 923 HB ILE 121 HB ILE 121 -0.436 3.046 7.443 924 1HG1 ILE 121 1HG1 ILE 121 -2.971 2.783 5.805 925 2HG1 ILE 121 2HG1 ILE 121 -1.388 2.180 5.325 926 1HG2 ILE 121 1HG2 ILE 121 -1.739 4.523 8.867 927 2HG2 ILE 121 2HG2 ILE 121 -3.171 4.247 7.873 928 3HG2 ILE 121 3HG2 ILE 121 -2.473 2.921 8.805 929 1HD1 ILE 121 1HD1 ILE 121 -1.388 0.663 7.229 930 2HD1 ILE 121 2HD1 ILE 121 -2.969 1.273 7.717 931 3HD1 ILE 121 3HD1 ILE 121 -2.793 0.404 6.193 932 H VAL 122 H VAL 122 -1.487 7.190 6.254 933 HA VAL 122 HA VAL 122 0.707 7.827 8.046 934 HB VAL 122 HB VAL 122 -1.344 9.675 6.807 935 1HG1 VAL 122 1HG1 VAL 122 1.273 10.279 8.181 936 2HG1 VAL 122 2HG1 VAL 122 0.228 11.457 7.389 937 3HG1 VAL 122 3HG1 VAL 122 -0.339 10.602 8.823 938 1HG2 VAL 122 1HG2 VAL 122 0.431 10.278 5.231 939 2HG2 VAL 122 2HG2 VAL 122 1.481 9.055 5.946 940 3HG2 VAL 122 3HG2 VAL 122 0.009 8.572 5.105 941 H GLY 123 H GLY 123 0.267 7.187 10.055 942 1HA GLY 123 1HA GLY 123 -2.106 8.360 11.340 943 2HA GLY 123 2HA GLY 123 -1.706 6.665 11.594 944 H GLY 124 H GLY 124 -0.811 9.962 12.255 945 1HA GLY 124 1HA GLY 124 1.074 8.962 14.305 946 2HA GLY 124 2HA GLY 124 1.411 10.392 13.339 947 H LEU 125 H LEU 125 -1.566 9.330 14.939 948 HA LEU 125 HA LEU 125 -1.943 12.016 15.946 949 1HB LEU 125 1HB LEU 125 -4.148 11.319 16.603 950 2HB LEU 125 2HB LEU 125 -3.836 10.800 14.961 951 HG LEU 125 HG LEU 125 -3.576 8.941 17.324 952 1HD1 LEU 125 1HD1 LEU 125 -5.810 8.124 16.742 953 2HD1 LEU 125 2HD1 LEU 125 -5.848 9.808 17.264 954 3HD1 LEU 125 3HD1 LEU 125 -5.966 9.413 15.549 955 1HD2 LEU 125 1HD2 LEU 125 -3.834 7.204 15.626 956 2HD2 LEU 125 2HD2 LEU 125 -3.951 8.438 14.371 957 3HD2 LEU 125 3HD2 LEU 125 -2.447 8.233 15.268 958 H GLU 126 H GLU 126 -0.207 9.498 17.011 959 HA GLU 126 HA GLU 126 -0.752 9.334 19.756 960 1HB GLU 126 1HB GLU 126 0.865 7.952 18.310 961 2HB GLU 126 2HB GLU 126 2.012 9.256 18.551 962 1HG GLU 126 1HG GLU 126 0.726 7.849 20.861 963 2HG GLU 126 2HG GLU 126 2.165 7.214 20.070 964 H HIS 127 H HIS 127 1.311 11.540 17.898 965 HA HIS 127 HA HIS 127 0.792 13.562 19.948 966 1HB HIS 127 1HB HIS 127 3.475 12.849 18.810 967 2HB HIS 127 2HB HIS 127 3.140 14.509 19.288 968 HD1 HIS 127 HD1 HIS 127 1.823 14.369 21.898 969 HD2 HIS 127 HD2 HIS 127 4.785 11.647 20.831 970 HE1 HIS 127 HE1 HIS 127 2.727 13.459 24.064 971 HE2 HIS 127 HE2 HIS 127 4.375 11.679 23.386 972 H HIS 128 H HIS 128 -0.872 14.182 18.591 973 HA HIS 128 HA HIS 128 -0.108 16.012 16.479 974 1HB HIS 128 1HB HIS 128 -0.269 13.832 15.308 975 2HB HIS 128 2HB HIS 128 -1.906 13.633 15.913 976 HD1 HIS 128 HD1 HIS 128 -0.094 16.345 13.901 977 HD2 HIS 128 HD2 HIS 128 -3.675 14.224 13.994 978 HE1 HIS 128 HE1 HIS 128 -1.413 17.137 11.906 979 HE2 HIS 128 HE2 HIS 128 -3.601 15.877 12.010 980 H HIS 129 H HIS 129 -0.952 16.953 18.627 981 HA HIS 129 HA HIS 129 -2.544 17.870 19.957 982 1HB HIS 129 1HB HIS 129 -3.831 18.331 17.260 983 2HB HIS 129 2HB HIS 129 -4.290 19.153 18.748 984 HD1 HIS 129 HD1 HIS 129 -2.101 20.443 19.916 985 HD2 HIS 129 HD2 HIS 129 -2.016 19.727 15.823 986 HE1 HIS 129 HE1 HIS 129 -0.387 22.032 18.990 987 HE2 HIS 129 HE2 HIS 129 -0.214 21.444 16.548 988 H HIS 130 H HIS 130 -5.341 17.464 18.120 989 HA HIS 130 HA HIS 130 -7.159 16.102 18.219 990 1HB HIS 130 1HB HIS 130 -5.369 14.466 17.467 991 2HB HIS 130 2HB HIS 130 -5.251 13.946 19.141 992 HD1 HIS 130 HD1 HIS 130 -6.499 11.888 19.554 993 HD2 HIS 130 HD2 HIS 130 -8.298 14.197 16.598 994 HE1 HIS 130 HE1 HIS 130 -8.486 10.557 18.768 995 HE2 HIS 130 HE2 HIS 130 -9.524 11.936 16.934 996 H HIS 131 H HIS 131 -6.033 17.492 20.678 997 HA HIS 131 HA HIS 131 -7.217 15.824 22.781 998 1HB HIS 131 1HB HIS 131 -4.934 16.528 23.245 999 2HB HIS 131 2HB HIS 131 -5.361 18.209 22.961 1000 HD1 HIS 131 HD1 HIS 131 -5.082 19.275 25.185 1001 HD2 HIS 131 HD2 HIS 131 -7.184 15.691 25.421 1002 HE1 HIS 131 HE1 HIS 131 -5.848 19.091 27.573 1003 HE2 HIS 131 HE2 HIS 131 -7.228 16.988 27.663 1004 H HIS 132 H HIS 132 -9.374 16.302 22.203 1005 HA HIS 132 HA HIS 132 -10.464 18.384 23.752 1006 1HB HIS 132 1HB HIS 132 -9.707 19.712 21.741 1007 2HB HIS 132 2HB HIS 132 -10.844 18.779 20.774 1008 HD1 HIS 132 HD1 HIS 132 -13.104 19.776 20.554 1009 HD2 HIS 132 HD2 HIS 132 -11.106 21.155 23.932 1010 HE1 HIS 132 HE1 HIS 132 -14.615 21.513 21.580 1011 HE2 HIS 132 HE2 HIS 132 -13.439 22.245 23.690 Start of MODEL 8 1 1H MET 1 1HT MET 1 9.440 8.989 -18.711 2 2H MET 1 2HT MET 1 10.843 8.052 -18.529 3 3H MET 1 3HT MET 1 9.335 7.296 -18.695 4 HA MET 1 HA MET 1 10.595 7.162 -20.735 5 1HB MET 1 1HB MET 1 8.219 9.032 -20.874 6 2HB MET 1 2HB MET 1 8.908 8.181 -22.249 7 1HG MET 1 1HG MET 1 7.632 6.917 -19.835 8 2HG MET 1 2HG MET 1 6.927 7.052 -21.445 9 1HE MET 1 1HE MET 1 7.670 3.212 -21.101 10 2HE MET 1 2HE MET 1 6.434 4.436 -21.397 11 3HE MET 1 3HE MET 1 7.177 4.300 -19.803 12 HA PRO 2 HA PRO 2 13.124 10.853 -21.134 13 1HB PRO 2 1HB PRO 2 15.005 9.278 -22.612 14 2HB PRO 2 2HB PRO 2 15.131 9.839 -20.945 15 1HG PRO 2 1HG PRO 2 14.858 7.198 -21.699 16 2HG PRO 2 2HG PRO 2 14.447 7.841 -20.100 17 1HD PRO 2 1HD PRO 2 12.656 7.211 -22.409 18 2HD PRO 2 2HD PRO 2 12.378 6.980 -20.670 19 H LEU 3 H LEU 3 12.556 12.297 -22.646 20 HA LEU 3 HA LEU 3 12.719 11.456 -25.463 21 1HB LEU 3 1HB LEU 3 10.432 12.112 -24.653 22 2HB LEU 3 2HB LEU 3 11.057 13.723 -24.359 23 HG LEU 3 HG LEU 3 11.528 13.988 -26.756 24 1HD1 LEU 3 1HD1 LEU 3 11.955 11.649 -27.303 25 2HD1 LEU 3 2HD1 LEU 3 10.254 11.269 -27.033 26 3HD1 LEU 3 3HD1 LEU 3 10.721 12.335 -28.359 27 1HD2 LEU 3 1HD2 LEU 3 9.363 14.694 -25.857 28 2HD2 LEU 3 2HD2 LEU 3 9.219 14.124 -27.521 29 3HD2 LEU 3 3HD2 LEU 3 8.706 13.091 -26.187 30 H ASN 4 H ASN 4 14.180 13.159 -23.075 31 HA ASN 4 HA ASN 4 15.836 14.612 -24.990 32 1HB ASN 4 1HB ASN 4 14.209 16.259 -24.081 33 2HB ASN 4 2HB ASN 4 14.740 15.863 -22.451 34 1HD2 ASN 4 2HD2 ASN 4 15.508 17.497 -25.399 35 2HD2 ASN 4 1HD2 ASN 4 16.876 18.373 -24.799 36 H GLN 5 H GLN 5 17.532 13.236 -24.695 37 HA GLN 5 HA GLN 5 19.090 11.905 -23.721 38 1HB GLN 5 1HB GLN 5 18.955 14.074 -21.621 39 2HB GLN 5 2HB GLN 5 20.094 12.741 -21.541 40 1HG GLN 5 1HG GLN 5 21.244 14.599 -22.437 41 2HG GLN 5 2HG GLN 5 20.976 13.470 -23.762 42 1HE2 GLN 5 2HE2 GLN 5 20.096 16.537 -22.379 43 2HE2 GLN 5 1HE2 GLN 5 19.306 17.167 -23.784 44 H GLU 6 H GLU 6 18.116 12.750 -20.520 45 HA GLU 6 HA GLU 6 16.187 10.560 -20.369 46 1HB GLU 6 1HB GLU 6 18.484 11.025 -18.453 47 2HB GLU 6 2HB GLU 6 17.094 10.016 -18.073 48 1HG GLU 6 1HG GLU 6 17.639 8.576 -19.983 49 2HG GLU 6 2HG GLU 6 19.056 9.572 -20.311 50 H HIS 7 H HIS 7 14.344 11.211 -19.321 51 HA HIS 7 HA HIS 7 14.459 13.705 -17.818 52 1HB HIS 7 1HB HIS 7 14.168 14.338 -20.210 53 2HB HIS 7 2HB HIS 7 12.669 13.417 -20.240 54 HD1 HIS 7 HD1 HIS 7 10.589 14.566 -19.405 55 HD2 HIS 7 HD2 HIS 7 14.069 16.681 -18.540 56 HE1 HIS 7 HE1 HIS 7 9.831 16.795 -18.515 57 HE2 HIS 7 HE2 HIS 7 11.948 18.091 -18.071 58 HA PRO 8 HA PRO 8 10.998 11.488 -15.970 59 1HB PRO 8 1HB PRO 8 12.220 10.785 -13.639 60 2HB PRO 8 2HB PRO 8 12.228 9.761 -15.077 61 1HG PRO 8 1HG PRO 8 14.438 11.181 -13.842 62 2HG PRO 8 2HG PRO 8 14.478 9.998 -15.158 63 1HD PRO 8 1HD PRO 8 14.543 12.937 -15.287 64 2HD PRO 8 2HD PRO 8 14.994 11.744 -16.524 65 H ASP 9 H ASP 9 9.753 13.265 -15.427 66 HA ASP 9 HA ASP 9 10.819 15.462 -13.963 67 1HB ASP 9 1HB ASP 9 8.681 16.460 -14.077 68 2HB ASP 9 2HB ASP 9 8.844 15.559 -15.577 69 H TYR 10 H TYR 10 10.850 15.874 -11.848 70 HA TYR 10 HA TYR 10 10.143 13.634 -10.118 71 1HB TYR 10 1HB TYR 10 12.466 14.789 -10.205 72 2HB TYR 10 2HB TYR 10 11.702 16.057 -9.254 73 HD1 TYR 10 HD1 TYR 10 11.594 15.854 -6.917 74 HD2 TYR 10 HD2 TYR 10 12.330 12.393 -9.284 75 HE1 TYR 10 HE1 TYR 10 12.036 14.554 -4.875 76 HE2 TYR 10 HE2 TYR 10 12.772 11.088 -7.251 77 HH TYR 10 HH TYR 10 13.439 11.423 -4.964 78 H THR 11 H THR 11 7.870 14.120 -10.192 79 HA THR 11 HA THR 11 7.146 16.383 -8.455 80 HB THR 11 HB THR 11 4.808 16.026 -9.451 81 HG1 THR 11 HG1 THR 11 6.133 14.978 -11.716 82 1HG2 THR 11 1HG2 THR 11 6.199 17.962 -9.973 83 2HG2 THR 11 2HG2 THR 11 7.032 17.041 -11.224 84 3HG2 THR 11 3HG2 THR 11 5.319 17.420 -11.402 85 H TYR 12 H TYR 12 5.343 13.478 -9.380 86 HA TYR 12 HA TYR 12 4.435 13.130 -6.691 87 1HB TYR 12 1HB TYR 12 3.983 11.634 -9.252 88 2HB TYR 12 2HB TYR 12 3.450 10.960 -7.714 89 HD1 TYR 12 HD1 TYR 12 1.478 11.719 -6.672 90 HD2 TYR 12 HD2 TYR 12 3.064 13.871 -9.984 91 HE1 TYR 12 HE1 TYR 12 -0.583 13.055 -6.782 92 HE2 TYR 12 HE2 TYR 12 1.006 15.212 -10.103 93 HH TYR 12 HH TYR 12 -1.388 15.137 -7.626 94 H ALA 13 H ALA 13 6.443 12.879 -5.643 95 HA ALA 13 HA ALA 13 7.106 10.070 -5.343 96 1HB ALA 13 1HB ALA 13 9.239 12.148 -5.851 97 2HB ALA 13 2HB ALA 13 9.515 10.456 -5.438 98 3HB ALA 13 3HB ALA 13 8.761 10.878 -6.976 99 H LEU 14 H LEU 14 8.548 9.820 -3.353 100 HA LEU 14 HA LEU 14 7.429 11.426 -1.248 101 1HB LEU 14 1HB LEU 14 9.380 9.129 -1.248 102 2HB LEU 14 2HB LEU 14 8.965 9.999 0.213 103 HG LEU 14 HG LEU 14 7.657 8.020 0.184 104 1HD1 LEU 14 1HD1 LEU 14 5.953 10.343 -0.692 105 2HD1 LEU 14 2HD1 LEU 14 5.363 8.886 0.110 106 3HD1 LEU 14 3HD1 LEU 14 6.465 9.973 0.955 107 1HD2 LEU 14 1HD2 LEU 14 6.163 7.417 -1.663 108 2HD2 LEU 14 2HD2 LEU 14 6.780 8.780 -2.598 109 3HD2 LEU 14 3HD2 LEU 14 7.852 7.446 -2.168 110 H ARG 15 H ARG 15 8.197 13.479 -1.542 111 HA ARG 15 HA ARG 15 11.015 14.004 -1.835 112 1HB ARG 15 1HB ARG 15 8.778 15.957 -1.251 113 2HB ARG 15 2HB ARG 15 10.381 16.348 -1.860 114 1HG ARG 15 1HG ARG 15 9.888 15.081 -3.910 115 2HG ARG 15 2HG ARG 15 8.264 14.764 -3.303 116 1HD ARG 15 1HD ARG 15 8.078 16.594 -4.790 117 2HD ARG 15 2HD ARG 15 7.961 17.263 -3.162 118 HE ARG 15 HE ARG 15 10.593 17.506 -3.705 119 1HH1 ARG 15 1HH1 ARG 15 7.703 18.451 -5.452 120 2HH1 ARG 15 2HH1 ARG 15 8.478 19.763 -6.280 121 1HH2 ARG 15 1HH2 ARG 15 11.607 19.236 -4.762 122 2HH2 ARG 15 2HH2 ARG 15 10.712 20.219 -5.887 123 H ALA 16 H ALA 16 8.813 13.571 0.715 124 HA ALA 16 HA ALA 16 10.955 13.741 2.633 125 1HB ALA 16 1HB ALA 16 10.147 16.044 2.674 126 2HB ALA 16 2HB ALA 16 8.505 15.472 2.969 127 3HB ALA 16 3HB ALA 16 9.761 15.218 4.185 128 H ALA 17 H ALA 17 10.763 12.016 3.890 129 HA ALA 17 HA ALA 17 8.139 10.696 4.030 130 1HB ALA 17 1HB ALA 17 10.883 9.454 4.214 131 2HB ALA 17 2HB ALA 17 9.347 8.592 4.290 132 3HB ALA 17 3HB ALA 17 9.825 9.413 2.804 133 H ASP 18 H ASP 18 7.233 10.434 5.949 134 HA ASP 18 HA ASP 18 8.889 10.697 8.360 135 1HB ASP 18 1HB ASP 18 6.339 12.172 7.713 136 2HB ASP 18 2HB ASP 18 6.891 11.948 9.367 137 H GLY 19 H GLY 19 7.803 9.856 10.303 138 1HA GLY 19 1HA GLY 19 6.326 7.444 9.707 139 2HA GLY 19 2HA GLY 19 6.857 7.982 11.295 140 H ARG 20 H ARG 20 5.524 10.666 10.377 141 HA ARG 20 HA ARG 20 2.747 9.860 10.927 142 1HB ARG 20 1HB ARG 20 4.302 12.125 12.171 143 2HB ARG 20 2HB ARG 20 2.552 11.995 12.261 144 1HG ARG 20 1HG ARG 20 2.760 9.876 13.445 145 2HG ARG 20 2HG ARG 20 4.518 9.982 13.332 146 1HD ARG 20 1HD ARG 20 3.635 10.708 15.527 147 2HD ARG 20 2HD ARG 20 4.542 11.965 14.687 148 HE ARG 20 HE ARG 20 1.757 12.148 14.127 149 1HH1 ARG 20 1HH1 ARG 20 4.126 12.816 16.622 150 2HH1 ARG 20 2HH1 ARG 20 3.231 14.151 17.289 151 1HH2 ARG 20 1HH2 ARG 20 0.600 13.924 14.979 152 2HH2 ARG 20 2HH2 ARG 20 1.242 14.790 16.345 153 H HIS 21 H HIS 21 4.735 11.247 8.725 154 HA HIS 21 HA HIS 21 2.558 12.807 7.556 155 1HB HIS 21 1HB HIS 21 5.357 13.905 7.949 156 2HB HIS 21 2HB HIS 21 4.103 14.672 6.985 157 HD1 HIS 21 HD1 HIS 21 5.621 14.984 10.140 158 HD2 HIS 21 HD2 HIS 21 1.671 15.108 8.824 159 HE1 HIS 21 HE1 HIS 21 4.341 16.183 11.940 160 HE2 HIS 21 HE2 HIS 21 1.946 16.208 11.155 161 H ALA 22 H ALA 22 3.054 13.368 5.247 162 HA ALA 22 HA ALA 22 5.180 11.907 3.963 163 1HB ALA 22 1HB ALA 22 3.746 10.544 2.542 164 2HB ALA 22 2HB ALA 22 3.488 10.147 4.242 165 3HB ALA 22 3HB ALA 22 2.316 11.146 3.383 166 H LYS 23 H LYS 23 5.929 13.343 2.537 167 HA LYS 23 HA LYS 23 4.062 15.237 1.323 168 1HB LYS 23 1HB LYS 23 7.078 15.151 1.357 169 2HB LYS 23 2HB LYS 23 6.152 16.317 0.423 170 1HG LYS 23 1HG LYS 23 5.105 17.082 2.551 171 2HG LYS 23 2HG LYS 23 6.223 16.023 3.415 172 1HD LYS 23 1HD LYS 23 8.111 17.223 2.363 173 2HD LYS 23 2HD LYS 23 6.957 18.322 1.605 174 1HE LYS 23 1HE LYS 23 7.403 17.934 4.561 175 2HE LYS 23 2HE LYS 23 7.883 19.333 3.601 176 1HZ LYS 23 1HZ LYS 23 5.882 19.856 4.749 177 2HZ LYS 23 2HZ LYS 23 5.491 19.681 3.108 178 3HZ LYS 23 3HZ LYS 23 5.120 18.443 4.210 179 H VAL 24 H VAL 24 3.016 14.076 -0.207 180 HA VAL 24 HA VAL 24 4.592 12.719 -2.264 181 HB VAL 24 HB VAL 24 1.582 12.911 -2.023 182 1HG1 VAL 24 1HG1 VAL 24 3.332 11.069 -3.653 183 2HG1 VAL 24 2HG1 VAL 24 1.571 11.012 -3.567 184 3HG1 VAL 24 3HG1 VAL 24 2.374 12.412 -4.279 185 1HG2 VAL 24 1HG2 VAL 24 2.499 11.779 -0.072 186 2HG2 VAL 24 2HG2 VAL 24 1.666 10.631 -1.122 187 3HG2 VAL 24 3HG2 VAL 24 3.428 10.703 -1.118 188 H ASN 25 H ASN 25 5.415 14.118 -3.670 189 HA ASN 25 HA ASN 25 5.569 15.664 -5.328 190 1HB ASN 25 1HB ASN 25 3.539 14.736 -6.300 191 2HB ASN 25 2HB ASN 25 2.543 15.672 -5.196 192 1HD2 ASN 25 2HD2 ASN 25 1.452 16.793 -6.747 193 2HD2 ASN 25 1HD2 ASN 25 2.190 17.990 -7.755 194 H GLU 26 H GLU 26 2.697 16.924 -3.699 195 HA GLU 26 HA GLU 26 4.235 19.053 -2.442 196 1HB GLU 26 1HB GLU 26 3.688 19.799 -4.776 197 2HB GLU 26 2HB GLU 26 1.986 19.652 -4.376 198 1HG GLU 26 1HG GLU 26 2.261 21.368 -2.643 199 2HG GLU 26 2HG GLU 26 3.960 21.528 -3.096 200 H GLN 27 H GLN 27 2.215 16.699 -1.991 201 HA GLN 27 HA GLN 27 0.190 18.213 -0.483 202 1HB GLN 27 1HB GLN 27 -0.112 15.507 -1.803 203 2HB GLN 27 2HB GLN 27 -1.373 16.400 -0.962 204 1HG GLN 27 1HG GLN 27 -1.396 18.093 -2.640 205 2HG GLN 27 2HG GLN 27 0.038 17.422 -3.412 206 1HE2 GLN 27 2HE2 GLN 27 -2.580 17.956 -4.540 207 2HE2 GLN 27 1HE2 GLN 27 -3.160 16.438 -5.144 208 H ILE 28 H ILE 28 0.073 17.811 1.636 209 HA ILE 28 HA ILE 28 1.766 15.727 2.760 210 HB ILE 28 HB ILE 28 0.142 17.830 4.208 211 1HG1 ILE 28 1HG1 ILE 28 3.099 17.781 3.550 212 2HG1 ILE 28 2HG1 ILE 28 1.901 18.811 2.773 213 1HG2 ILE 28 1HG2 ILE 28 0.623 15.877 5.583 214 2HG2 ILE 28 2HG2 ILE 28 2.335 15.995 5.175 215 3HG2 ILE 28 3HG2 ILE 28 1.567 17.265 6.127 216 1HD1 ILE 28 1HD1 ILE 28 2.674 18.885 5.679 217 2HD1 ILE 28 2HD1 ILE 28 3.167 20.035 4.437 218 3HD1 ILE 28 3HD1 ILE 28 1.471 19.916 4.905 219 H LEU 29 H LEU 29 0.728 13.831 2.449 220 HA LEU 29 HA LEU 29 -2.052 13.587 3.320 221 1HB LEU 29 1HB LEU 29 -0.255 11.570 1.964 222 2HB LEU 29 2HB LEU 29 -1.966 11.363 2.293 223 HG LEU 29 HG LEU 29 -0.799 13.450 0.444 224 1HD1 LEU 29 1HD1 LEU 29 -1.764 12.105 -1.350 225 2HD1 LEU 29 2HD1 LEU 29 -0.537 11.205 -0.458 226 3HD1 LEU 29 3HD1 LEU 29 -2.248 10.882 -0.176 227 1HD2 LEU 29 1HD2 LEU 29 -3.655 12.664 1.006 228 2HD2 LEU 29 2HD2 LEU 29 -2.878 14.179 1.469 229 3HD2 LEU 29 3HD2 LEU 29 -3.126 13.799 -0.236 230 H GLN 30 H GLN 30 -2.032 13.550 5.498 231 HA GLN 30 HA GLN 30 -0.107 11.774 6.835 232 1HB GLN 30 1HB GLN 30 -0.439 13.186 8.825 233 2HB GLN 30 2HB GLN 30 0.146 14.107 7.448 234 1HG GLN 30 1HG GLN 30 -2.138 14.911 7.033 235 2HG GLN 30 2HG GLN 30 -2.694 14.016 8.447 236 1HE2 GLN 30 2HE2 GLN 30 -2.802 16.871 7.924 237 2HE2 GLN 30 1HE2 GLN 30 -1.939 17.632 9.212 238 H GLN 31 H GLN 31 -2.625 10.905 5.678 239 HA GLN 31 HA GLN 31 -3.855 9.847 8.134 240 1HB GLN 31 1HB GLN 31 -5.246 10.520 5.531 241 2HB GLN 31 2HB GLN 31 -6.001 9.699 6.890 242 1HG GLN 31 1HG GLN 31 -5.740 11.650 8.272 243 2HG GLN 31 2HG GLN 31 -4.830 12.468 7.003 244 1HE2 GLN 31 2HE2 GLN 31 -5.906 13.245 5.196 245 2HE2 GLN 31 1HE2 GLN 31 -7.626 13.432 5.160 246 H SER 32 H SER 32 -4.943 8.818 5.026 247 HA SER 32 HA SER 32 -3.072 6.630 4.807 248 1HB SER 32 1HB SER 32 -6.027 6.075 5.209 249 2HB SER 32 2HB SER 32 -4.776 4.876 4.882 250 HG SER 32 HG SER 32 -4.032 6.325 6.989 251 H PHE 33 H PHE 33 -2.872 5.980 2.700 252 HA PHE 33 HA PHE 33 -4.907 6.605 0.759 253 1HB PHE 33 1HB PHE 33 -3.520 8.098 -0.604 254 2HB PHE 33 2HB PHE 33 -3.805 8.791 0.987 255 HD1 PHE 33 HD1 PHE 33 -1.336 7.630 -1.369 256 HD2 PHE 33 HD2 PHE 33 -1.976 8.761 2.684 257 HE1 PHE 33 HE1 PHE 33 1.086 7.926 -1.074 258 HE2 PHE 33 HE2 PHE 33 0.447 9.061 2.986 259 HZ PHE 33 HZ PHE 33 1.982 8.643 1.104 260 H ILE 34 H ILE 34 -4.373 5.840 -1.374 261 HA ILE 34 HA ILE 34 -2.334 3.708 -1.330 262 HB ILE 34 HB ILE 34 -4.727 3.872 -3.168 263 1HG1 ILE 34 1HG1 ILE 34 -4.445 2.129 -0.716 264 2HG1 ILE 34 2HG1 ILE 34 -5.354 3.636 -0.736 265 1HG2 ILE 34 1HG2 ILE 34 -2.838 1.615 -2.526 266 2HG2 ILE 34 2HG2 ILE 34 -4.234 1.511 -3.597 267 3HG2 ILE 34 3HG2 ILE 34 -2.873 2.551 -4.020 268 1HD1 ILE 34 1HD1 ILE 34 -6.811 1.704 -0.978 269 2HD1 ILE 34 2HD1 ILE 34 -6.852 2.717 -2.419 270 3HD1 ILE 34 3HD1 ILE 34 -5.933 1.213 -2.426 271 H LEU 35 H LEU 35 -0.566 4.307 -2.402 272 HA LEU 35 HA LEU 35 -0.850 6.170 -4.661 273 1HB LEU 35 1HB LEU 35 0.601 6.942 -2.852 274 2HB LEU 35 2HB LEU 35 1.560 5.480 -2.974 275 HG LEU 35 HG LEU 35 2.274 6.148 -5.240 276 1HD1 LEU 35 1HD1 LEU 35 0.759 8.687 -4.653 277 2HD1 LEU 35 2HD1 LEU 35 1.828 8.419 -6.028 278 3HD1 LEU 35 3HD1 LEU 35 0.342 7.484 -5.873 279 1HD2 LEU 35 1HD2 LEU 35 2.754 8.220 -3.103 280 2HD2 LEU 35 2HD2 LEU 35 3.651 6.716 -3.317 281 3HD2 LEU 35 3HD2 LEU 35 3.742 7.979 -4.544 282 H MET 36 H MET 36 -0.763 5.310 -6.604 283 HA MET 36 HA MET 36 1.042 3.032 -7.059 284 1HB MET 36 1HB MET 36 -1.721 3.444 -8.228 285 2HB MET 36 2HB MET 36 -0.590 2.209 -8.762 286 1HG MET 36 1HG MET 36 -0.599 1.371 -6.375 287 2HG MET 36 2HG MET 36 -1.978 2.436 -6.114 288 1HE MET 36 1HE MET 36 -0.574 -0.596 -8.144 289 2HE MET 36 2HE MET 36 -1.123 0.487 -9.423 290 3HE MET 36 3HE MET 36 -1.957 -1.042 -9.146 291 HA PRO 37 HA PRO 37 2.875 5.210 -10.441 292 1HB PRO 37 1HB PRO 37 1.975 3.035 -12.267 293 2HB PRO 37 2HB PRO 37 3.590 3.713 -12.032 294 1HG PRO 37 1HG PRO 37 2.956 1.333 -11.020 295 2HG PRO 37 2HG PRO 37 3.979 2.464 -10.113 296 1HD PRO 37 1HD PRO 37 1.102 1.776 -9.722 297 2HD PRO 37 2HD PRO 37 2.347 2.153 -8.515 298 H ASP 38 H ASP 38 1.753 6.986 -10.892 299 HA ASP 38 HA ASP 38 0.692 8.428 -12.283 300 1HB ASP 38 1HB ASP 38 1.120 6.906 -14.148 301 2HB ASP 38 2HB ASP 38 -0.318 5.978 -13.738 302 H GLU 39 H GLU 39 -0.871 6.136 -10.351 303 HA GLU 39 HA GLU 39 -3.300 7.788 -10.426 304 1HB GLU 39 1HB GLU 39 -3.682 5.614 -11.584 305 2HB GLU 39 2HB GLU 39 -3.310 4.789 -10.076 306 1HG GLU 39 1HG GLU 39 -5.224 5.653 -9.011 307 2HG GLU 39 2HG GLU 39 -5.494 6.835 -10.289 308 H LEU 40 H LEU 40 -4.073 8.433 -8.519 309 HA LEU 40 HA LEU 40 -2.864 7.290 -6.093 310 1HB LEU 40 1HB LEU 40 -1.856 9.443 -6.508 311 2HB LEU 40 2HB LEU 40 -3.426 10.184 -6.739 312 HG LEU 40 HG LEU 40 -3.944 9.761 -4.347 313 1HD1 LEU 40 1HD1 LEU 40 -1.065 8.877 -4.222 314 2HD1 LEU 40 2HD1 LEU 40 -2.120 9.148 -2.835 315 3HD1 LEU 40 3HD1 LEU 40 -2.481 7.853 -3.977 316 1HD2 LEU 40 1HD2 LEU 40 -3.063 11.917 -5.075 317 2HD2 LEU 40 2HD2 LEU 40 -2.484 11.504 -3.461 318 3HD2 LEU 40 3HD2 LEU 40 -1.416 11.326 -4.853 319 H VAL 41 H VAL 41 -4.263 6.583 -4.638 320 HA VAL 41 HA VAL 41 -7.043 7.552 -4.746 321 HB VAL 41 HB VAL 41 -5.998 5.137 -3.253 322 1HG1 VAL 41 1HG1 VAL 41 -8.065 6.067 -2.357 323 2HG1 VAL 41 2HG1 VAL 41 -8.802 5.985 -3.957 324 3HG1 VAL 41 3HG1 VAL 41 -8.353 4.501 -3.116 325 1HG2 VAL 41 1HG2 VAL 41 -5.681 4.809 -5.646 326 2HG2 VAL 41 2HG2 VAL 41 -6.980 3.779 -5.047 327 3HG2 VAL 41 3HG2 VAL 41 -7.363 5.249 -5.943 328 H GLU 42 H GLU 42 -7.067 9.353 -3.546 329 HA GLU 42 HA GLU 42 -5.377 9.610 -1.208 330 1HB GLU 42 1HB GLU 42 -5.512 11.461 -2.760 331 2HB GLU 42 2HB GLU 42 -7.260 11.518 -2.607 332 1HG GLU 42 1HG GLU 42 -5.797 11.853 -0.089 333 2HG GLU 42 2HG GLU 42 -5.524 13.120 -1.284 334 H HIS 43 H HIS 43 -8.772 9.191 -1.961 335 HA HIS 43 HA HIS 43 -9.502 9.614 0.827 336 1HB HIS 43 1HB HIS 43 -11.242 8.972 -1.560 337 2HB HIS 43 2HB HIS 43 -11.832 9.294 0.065 338 HD1 HIS 43 HD1 HIS 43 -11.247 11.798 0.983 339 HD2 HIS 43 HD2 HIS 43 -10.992 11.173 -3.120 340 HE1 HIS 43 HE1 HIS 43 -11.324 14.085 -0.059 341 HE2 HIS 43 HE2 HIS 43 -11.126 13.688 -2.541 342 H TRP 44 H TRP 44 -8.285 7.788 1.606 343 HA TRP 44 HA TRP 44 -10.032 5.446 1.676 344 1HB TRP 44 1HB TRP 44 -8.149 4.964 0.086 345 2HB TRP 44 2HB TRP 44 -7.022 5.210 1.415 346 HD1 TRP 44 HD1 TRP 44 -10.171 2.985 0.854 347 HE1 TRP 44 HE1 TRP 44 -9.656 0.640 1.791 348 HE3 TRP 44 HE3 TRP 44 -5.429 3.824 2.563 349 HZ2 TRP 44 HZ2 TRP 44 -7.520 -0.672 3.079 350 HZ3 TRP 44 HZ3 TRP 44 -4.216 1.970 3.632 351 HH2 TRP 44 HH2 TRP 44 -5.242 -0.231 3.886 352 HA PRO 45 HA PRO 45 -8.963 7.168 5.757 353 1HB PRO 45 1HB PRO 45 -11.625 6.336 6.573 354 2HB PRO 45 2HB PRO 45 -10.957 7.965 6.446 355 1HG PRO 45 1HG PRO 45 -12.878 7.023 4.772 356 2HG PRO 45 2HG PRO 45 -11.683 8.239 4.288 357 1HD PRO 45 1HD PRO 45 -11.718 5.294 3.739 358 2HD PRO 45 2HD PRO 45 -11.283 6.637 2.659 359 H VAL 46 H VAL 46 -7.715 5.951 6.984 360 HA VAL 46 HA VAL 46 -8.946 3.648 8.325 361 HB VAL 46 HB VAL 46 -6.049 3.762 7.436 362 1HG1 VAL 46 1HG1 VAL 46 -7.558 1.598 8.904 363 2HG1 VAL 46 2HG1 VAL 46 -5.895 1.486 8.327 364 3HG1 VAL 46 3HG1 VAL 46 -6.313 2.645 9.587 365 1HG2 VAL 46 1HG2 VAL 46 -7.530 3.285 5.564 366 2HG2 VAL 46 2HG2 VAL 46 -6.610 1.849 6.009 367 3HG2 VAL 46 3HG2 VAL 46 -8.302 1.995 6.486 368 HA PRO 47 HA PRO 47 -7.880 6.677 11.514 369 1HB PRO 47 1HB PRO 47 -9.233 4.713 13.258 370 2HB PRO 47 2HB PRO 47 -9.576 6.429 13.016 371 1HG PRO 47 1HG PRO 47 -11.189 4.530 12.031 372 2HG PRO 47 2HG PRO 47 -10.889 6.042 11.155 373 1HD PRO 47 1HD PRO 47 -9.738 3.317 10.685 374 2HD PRO 47 2HD PRO 47 -10.272 4.534 9.507 375 H SER 48 H SER 48 -8.010 3.391 12.847 376 HA SER 48 HA SER 48 -5.149 3.189 13.086 377 1HB SER 48 1HB SER 48 -6.824 3.311 15.614 378 2HB SER 48 2HB SER 48 -5.088 3.015 15.525 379 HG SER 48 HG SER 48 -5.461 5.237 14.217 380 H LEU 49 H LEU 49 -5.825 1.429 11.695 381 HA LEU 49 HA LEU 49 -6.607 -0.628 11.132 382 1HB LEU 49 1HB LEU 49 -6.041 -1.232 14.040 383 2HB LEU 49 2HB LEU 49 -6.212 -2.412 12.756 384 HG LEU 49 HG LEU 49 -3.991 -0.389 13.054 385 1HD1 LEU 49 1HD1 LEU 49 -3.787 -2.274 14.558 386 2HD1 LEU 49 2HD1 LEU 49 -4.016 -3.398 13.218 387 3HD1 LEU 49 3HD1 LEU 49 -2.578 -2.379 13.278 388 1HD2 LEU 49 1HD2 LEU 49 -4.415 -2.434 10.877 389 2HD2 LEU 49 2HD2 LEU 49 -4.571 -0.687 10.695 390 3HD2 LEU 49 3HD2 LEU 49 -3.000 -1.398 11.072 391 H GLY 50 H GLY 50 -8.024 -2.509 12.929 392 1HA GLY 50 1HA GLY 50 -10.085 -2.833 13.944 393 2HA GLY 50 2HA GLY 50 -10.317 -1.091 13.964 394 H GLN 51 H GLN 51 -10.557 -0.168 11.640 395 HA GLN 51 HA GLN 51 -12.797 -1.534 10.431 396 1HB GLN 51 1HB GLN 51 -11.412 1.050 9.695 397 2HB GLN 51 2HB GLN 51 -12.869 0.443 8.924 398 1HG GLN 51 1HG GLN 51 -14.039 0.565 11.083 399 2HG GLN 51 2HG GLN 51 -12.582 1.242 11.812 400 1HE2 GLN 51 2HE2 GLN 51 -15.257 2.390 11.547 401 2HE2 GLN 51 1HE2 GLN 51 -15.052 3.872 10.677 402 H LEU 52 H LEU 52 -9.663 -2.115 10.241 403 HA LEU 52 HA LEU 52 -9.308 -2.294 7.396 404 1HB LEU 52 1HB LEU 52 -7.395 -1.961 8.923 405 2HB LEU 52 2HB LEU 52 -7.696 -3.537 9.630 406 HG LEU 52 HG LEU 52 -7.204 -4.598 7.455 407 1HD1 LEU 52 1HD1 LEU 52 -6.231 -3.290 5.650 408 2HD1 LEU 52 2HD1 LEU 52 -7.865 -2.728 6.011 409 3HD1 LEU 52 3HD1 LEU 52 -6.469 -1.808 6.576 410 1HD2 LEU 52 1HD2 LEU 52 -5.426 -4.371 9.083 411 2HD2 LEU 52 2HD2 LEU 52 -4.787 -4.146 7.456 412 3HD2 LEU 52 3HD2 LEU 52 -5.063 -2.748 8.494 413 H GLN 53 H GLN 53 -10.985 -3.502 6.658 414 HA GLN 53 HA GLN 53 -10.927 -6.365 7.311 415 1HB GLN 53 1HB GLN 53 -13.411 -4.667 6.925 416 2HB GLN 53 2HB GLN 53 -13.391 -6.410 7.163 417 1HG GLN 53 1HG GLN 53 -12.484 -6.132 9.386 418 2HG GLN 53 2HG GLN 53 -12.381 -4.388 9.152 419 1HE2 GLN 53 2HE2 GLN 53 -14.946 -4.272 7.752 420 2HE2 GLN 53 1HE2 GLN 53 -16.163 -4.461 8.968 421 HA PRO 54 HA PRO 54 -10.774 -7.307 2.993 422 1HB PRO 54 1HB PRO 54 -13.427 -8.653 3.277 423 2HB PRO 54 2HB PRO 54 -11.932 -9.251 2.545 424 1HG PRO 54 1HG PRO 54 -12.661 -10.078 4.958 425 2HG PRO 54 2HG PRO 54 -10.961 -9.723 4.599 426 1HD PRO 54 1HD PRO 54 -12.943 -8.131 6.160 427 2HD PRO 54 2HD PRO 54 -11.196 -8.322 6.412 428 H ALA 55 H ALA 55 -14.022 -6.319 4.076 429 HA ALA 55 HA ALA 55 -14.870 -5.406 1.521 430 1HB ALA 55 1HB ALA 55 -16.748 -4.413 2.699 431 2HB ALA 55 2HB ALA 55 -16.439 -6.045 3.292 432 3HB ALA 55 3HB ALA 55 -15.928 -4.650 4.241 433 H HIS 56 H HIS 56 -12.899 -4.005 3.966 434 HA HIS 56 HA HIS 56 -13.281 -1.290 2.946 435 1HB HIS 56 1HB HIS 56 -13.081 -1.878 5.439 436 2HB HIS 56 2HB HIS 56 -11.373 -2.138 5.124 437 HD1 HIS 56 HD1 HIS 56 -13.969 0.561 5.303 438 HD2 HIS 56 HD2 HIS 56 -9.848 0.186 4.831 439 HE1 HIS 56 HE1 HIS 56 -13.036 2.884 5.571 440 HE2 HIS 56 HE2 HIS 56 -10.537 2.602 5.467 441 H MET 57 H MET 57 -11.131 -3.966 2.774 442 HA MET 57 HA MET 57 -8.988 -2.449 1.506 443 1HB MET 57 1HB MET 57 -8.640 -4.417 3.109 444 2HB MET 57 2HB MET 57 -9.212 -5.450 1.809 445 1HG MET 57 1HG MET 57 -6.835 -5.493 1.808 446 2HG MET 57 2HG MET 57 -7.368 -4.595 0.389 447 1HE MET 57 1HE MET 57 -4.778 -3.764 0.227 448 2HE MET 57 2HE MET 57 -4.394 -4.603 1.730 449 3HE MET 57 3HE MET 57 -3.964 -2.904 1.535 450 H ASP 58 H ASP 58 -11.900 -3.525 0.655 451 HA ASP 58 HA ASP 58 -11.730 -5.048 -1.633 452 1HB ASP 58 1HB ASP 58 -13.836 -4.538 -0.510 453 2HB ASP 58 2HB ASP 58 -13.699 -2.848 -0.979 454 H ALA 59 H ALA 59 -11.392 -1.549 -1.292 455 HA ALA 59 HA ALA 59 -11.451 -0.809 -3.970 456 1HB ALA 59 1HB ALA 59 -9.770 0.401 -1.775 457 2HB ALA 59 2HB ALA 59 -10.207 1.174 -3.300 458 3HB ALA 59 3HB ALA 59 -11.457 0.792 -2.115 459 H VAL 60 H VAL 60 -8.710 -1.892 -1.996 460 HA VAL 60 HA VAL 60 -6.753 -1.577 -4.025 461 HB VAL 60 HB VAL 60 -6.640 -3.483 -1.683 462 1HG1 VAL 60 1HG1 VAL 60 -4.904 -3.843 -3.349 463 2HG1 VAL 60 2HG1 VAL 60 -4.460 -2.137 -3.273 464 3HG1 VAL 60 3HG1 VAL 60 -4.220 -3.173 -1.867 465 1HG2 VAL 60 1HG2 VAL 60 -5.550 -1.669 -0.446 466 2HG2 VAL 60 2HG2 VAL 60 -5.868 -0.571 -1.791 467 3HG2 VAL 60 3HG2 VAL 60 -7.211 -1.264 -0.883 468 H LEU 61 H LEU 61 -8.707 -4.307 -2.918 469 HA LEU 61 HA LEU 61 -7.587 -6.271 -4.598 470 1HB LEU 61 1HB LEU 61 -10.403 -6.087 -3.519 471 2HB LEU 61 2HB LEU 61 -9.661 -7.527 -4.187 472 HG LEU 61 HG LEU 61 -8.748 -6.105 -1.683 473 1HD1 LEU 61 1HD1 LEU 61 -9.658 -8.047 -0.508 474 2HD1 LEU 61 2HD1 LEU 61 -10.915 -7.179 -1.387 475 3HD1 LEU 61 3HD1 LEU 61 -10.268 -8.686 -2.033 476 1HD2 LEU 61 1HD2 LEU 61 -6.922 -7.231 -2.846 477 2HD2 LEU 61 2HD2 LEU 61 -7.339 -8.080 -1.357 478 3HD2 LEU 61 3HD2 LEU 61 -7.870 -8.717 -2.913 479 H ALA 62 H ALA 62 -10.210 -3.969 -5.041 480 HA ALA 62 HA ALA 62 -11.094 -4.947 -7.550 481 1HB ALA 62 1HB ALA 62 -11.401 -2.188 -6.375 482 2HB ALA 62 2HB ALA 62 -12.336 -2.864 -7.707 483 3HB ALA 62 3HB ALA 62 -12.482 -3.551 -6.090 484 H LEU 63 H LEU 63 -8.480 -2.868 -6.599 485 HA LEU 63 HA LEU 63 -8.037 -1.762 -9.211 486 1HB LEU 63 1HB LEU 63 -6.247 -1.919 -6.786 487 2HB LEU 63 2HB LEU 63 -5.843 -1.054 -8.256 488 HG LEU 63 HG LEU 63 -8.163 -0.421 -6.430 489 1HD1 LEU 63 1HD1 LEU 63 -6.892 1.592 -5.887 490 2HD1 LEU 63 2HD1 LEU 63 -6.011 0.135 -5.435 491 3HD1 LEU 63 3HD1 LEU 63 -5.557 1.024 -6.888 492 1HD2 LEU 63 1HD2 LEU 63 -8.429 1.572 -7.817 493 2HD2 LEU 63 2HD2 LEU 63 -7.150 1.000 -8.888 494 3HD2 LEU 63 3HD2 LEU 63 -8.659 0.097 -8.757 495 H ASN 64 H ASN 64 -7.171 -4.660 -7.572 496 HA ASN 64 HA ASN 64 -5.832 -6.428 -8.025 497 1HB ASN 64 1HB ASN 64 -6.658 -5.642 -10.815 498 2HB ASN 64 2HB ASN 64 -5.709 -7.083 -10.480 499 1HD2 ASN 64 2HD2 ASN 64 -8.808 -5.607 -10.343 500 2HD2 ASN 64 1HD2 ASN 64 -9.681 -6.995 -9.800 501 HA PRO 65 HA PRO 65 -2.003 -4.073 -9.041 502 1HB PRO 65 1HB PRO 65 -0.856 -4.124 -6.619 503 2HB PRO 65 2HB PRO 65 -2.059 -2.902 -7.046 504 1HG PRO 65 1HG PRO 65 -2.372 -5.378 -5.408 505 2HG PRO 65 2HG PRO 65 -3.084 -3.774 -5.164 506 1HD PRO 65 1HD PRO 65 -4.389 -5.929 -6.311 507 2HD PRO 65 2HD PRO 65 -4.848 -4.231 -6.531 508 H ALA 66 H ALA 66 0.233 -4.904 -8.904 509 HA ALA 66 HA ALA 66 0.234 -7.806 -9.081 510 1HB ALA 66 1HB ALA 66 2.462 -7.553 -10.038 511 2HB ALA 66 2HB ALA 66 1.306 -6.501 -10.855 512 3HB ALA 66 3HB ALA 66 2.433 -5.826 -9.677 513 H VAL 67 H VAL 67 1.369 -5.258 -7.021 514 HA VAL 67 HA VAL 67 1.890 -7.174 -4.929 515 HB VAL 67 HB VAL 67 4.076 -7.147 -6.012 516 1HG1 VAL 67 1HG1 VAL 67 5.423 -5.094 -6.119 517 2HG1 VAL 67 2HG1 VAL 67 3.977 -5.002 -7.125 518 3HG1 VAL 67 3HG1 VAL 67 4.025 -4.165 -5.574 519 1HG2 VAL 67 1HG2 VAL 67 4.041 -7.376 -3.598 520 2HG2 VAL 67 2HG2 VAL 67 5.463 -6.465 -4.105 521 3HG2 VAL 67 3HG2 VAL 67 4.078 -5.622 -3.410 522 H ILE 68 H ILE 68 1.596 -6.275 -2.900 523 HA ILE 68 HA ILE 68 0.866 -3.417 -2.880 524 HB ILE 68 HB ILE 68 -0.048 -5.553 -0.940 525 1HG1 ILE 68 1HG1 ILE 68 -1.602 -4.281 -3.205 526 2HG1 ILE 68 2HG1 ILE 68 -0.911 -5.899 -3.259 527 1HG2 ILE 68 1HG2 ILE 68 -0.945 -2.701 -1.368 528 2HG2 ILE 68 2HG2 ILE 68 -1.701 -3.853 -0.266 529 3HG2 ILE 68 3HG2 ILE 68 -0.044 -3.322 0.016 530 1HD1 ILE 68 1HD1 ILE 68 -3.016 -4.953 -1.330 531 2HD1 ILE 68 2HD1 ILE 68 -3.288 -5.952 -2.757 532 3HD1 ILE 68 3HD1 ILE 68 -2.338 -6.579 -1.409 533 H LEU 69 H LEU 69 1.951 -2.071 -1.586 534 HA LEU 69 HA LEU 69 3.772 -3.233 0.419 535 1HB LEU 69 1HB LEU 69 3.910 -0.581 -1.020 536 2HB LEU 69 2HB LEU 69 4.969 -1.041 0.297 537 HG LEU 69 HG LEU 69 4.818 -2.385 -2.403 538 1HD1 LEU 69 1HD1 LEU 69 5.878 -0.191 -2.475 539 2HD1 LEU 69 2HD1 LEU 69 6.941 -0.651 -1.145 540 3HD1 LEU 69 3HD1 LEU 69 7.068 -1.473 -2.699 541 1HD2 LEU 69 1HD2 LEU 69 6.636 -2.926 -0.056 542 2HD2 LEU 69 2HD2 LEU 69 5.333 -3.975 -0.616 543 3HD2 LEU 69 3HD2 LEU 69 6.735 -3.685 -1.645 544 H LEU 70 H LEU 70 3.164 -2.976 2.451 545 HA LEU 70 HA LEU 70 1.174 -0.901 3.071 546 1HB LEU 70 1HB LEU 70 1.060 -3.549 3.596 547 2HB LEU 70 2HB LEU 70 1.871 -3.003 5.049 548 HG LEU 70 HG LEU 70 -0.511 -3.164 5.442 549 1HD1 LEU 70 1HD1 LEU 70 -0.991 -0.873 6.187 550 2HD1 LEU 70 2HD1 LEU 70 0.637 -1.394 6.624 551 3HD1 LEU 70 3HD1 LEU 70 0.398 -0.297 5.265 552 1HD2 LEU 70 1HD2 LEU 70 -1.297 -2.916 3.161 553 2HD2 LEU 70 2HD2 LEU 70 -2.104 -1.761 4.220 554 3HD2 LEU 70 3HD2 LEU 70 -0.806 -1.222 3.156 555 H GLY 71 H GLY 71 2.009 0.892 3.933 556 1HA GLY 71 1HA GLY 71 4.413 0.618 5.638 557 2HA GLY 71 2HA GLY 71 4.105 2.010 4.607 558 H THR 72 H THR 72 3.622 0.613 7.684 559 HA THR 72 HA THR 72 1.452 2.421 8.367 560 HB THR 72 HB THR 72 1.600 1.309 10.630 561 HG1 THR 72 HG1 THR 72 3.539 0.394 10.814 562 1HG2 THR 72 1HG2 THR 72 1.207 -0.507 8.249 563 2HG2 THR 72 2HG2 THR 72 0.578 -0.776 9.874 564 3HG2 THR 72 3HG2 THR 72 -0.002 0.588 8.919 565 H GLY 73 H GLY 73 3.001 4.214 7.845 566 1HA GLY 73 1HA GLY 73 4.433 5.914 8.441 567 2HA GLY 73 2HA GLY 73 3.599 5.772 9.976 568 H GLU 74 H GLU 74 4.803 5.461 11.672 569 HA GLU 74 HA GLU 74 7.579 4.539 11.342 570 1HB GLU 74 1HB GLU 74 7.189 6.819 12.289 571 2HB GLU 74 2HB GLU 74 6.311 6.084 13.620 572 1HG GLU 74 1HG GLU 74 8.487 4.770 14.035 573 2HG GLU 74 2HG GLU 74 9.236 6.000 13.018 574 H ARG 75 H ARG 75 4.561 3.571 12.414 575 HA ARG 75 HA ARG 75 5.598 1.974 14.657 576 1HB ARG 75 1HB ARG 75 3.746 3.803 14.874 577 2HB ARG 75 2HB ARG 75 2.699 2.584 14.169 578 1HG ARG 75 1HG ARG 75 3.007 1.130 16.016 579 2HG ARG 75 2HG ARG 75 4.318 2.128 16.661 580 1HD ARG 75 1HD ARG 75 2.613 4.008 16.794 581 2HD ARG 75 2HD ARG 75 1.386 2.780 16.497 582 HE ARG 75 HE ARG 75 1.755 1.906 18.626 583 1HH1 ARG 75 1HH1 ARG 75 4.019 4.480 17.935 584 2HH1 ARG 75 2HH1 ARG 75 4.374 4.798 19.604 585 1HH2 ARG 75 1HH2 ARG 75 2.227 2.327 20.843 586 2HH2 ARG 75 2HH2 ARG 75 3.382 3.564 21.239 587 H GLN 76 H GLN 76 5.960 -0.070 14.057 588 HA GLN 76 HA GLN 76 4.923 -1.200 11.681 589 1HB GLN 76 1HB GLN 76 7.077 -1.873 12.642 590 2HB GLN 76 2HB GLN 76 6.250 -2.552 14.038 591 1HG GLN 76 1HG GLN 76 5.135 -4.172 12.567 592 2HG GLN 76 2HG GLN 76 6.020 -3.508 11.192 593 1HE2 GLN 76 2HE2 GLN 76 6.242 -5.356 14.125 594 2HE2 GLN 76 1HE2 GLN 76 7.812 -6.019 13.834 595 H GLN 77 H GLN 77 2.831 -1.652 11.432 596 HA GLN 77 HA GLN 77 1.462 -3.112 13.597 597 1HB GLN 77 1HB GLN 77 0.212 -1.373 11.456 598 2HB GLN 77 2HB GLN 77 -0.648 -2.210 12.741 599 1HG GLN 77 1HG GLN 77 0.514 -0.835 14.403 600 2HG GLN 77 2HG GLN 77 1.351 0.013 13.104 601 1HE2 GLN 77 2HE2 GLN 77 -1.649 -0.435 14.774 602 2HE2 GLN 77 1HE2 GLN 77 -2.479 0.913 14.069 603 H PHE 78 H PHE 78 -0.036 -4.775 12.908 604 HA PHE 78 HA PHE 78 0.806 -5.987 10.364 605 1HB PHE 78 1HB PHE 78 -0.214 -7.326 12.880 606 2HB PHE 78 2HB PHE 78 0.190 -8.160 11.384 607 HD1 PHE 78 HD1 PHE 78 2.541 -8.243 10.615 608 HD2 PHE 78 HD2 PHE 78 1.462 -6.661 14.416 609 HE1 PHE 78 HE1 PHE 78 4.875 -8.458 11.366 610 HE2 PHE 78 HE2 PHE 78 3.794 -6.874 15.171 611 HZ PHE 78 HZ PHE 78 5.501 -7.774 13.644 612 HA PRO 79 HA PRO 79 -3.374 -5.539 8.951 613 1HB PRO 79 1HB PRO 79 -2.818 -7.779 7.136 614 2HB PRO 79 2HB PRO 79 -3.175 -6.093 6.754 615 1HG PRO 79 1HG PRO 79 -0.723 -7.152 6.399 616 2HG PRO 79 2HG PRO 79 -0.965 -5.459 6.868 617 1HD PRO 79 1HD PRO 79 -0.204 -7.808 8.566 618 2HD PRO 79 2HD PRO 79 0.420 -6.144 8.602 619 H SER 80 H SER 80 -5.347 -6.587 9.117 620 HA SER 80 HA SER 80 -5.567 -8.608 11.055 621 1HB SER 80 1HB SER 80 -7.359 -6.985 10.666 622 2HB SER 80 2HB SER 80 -7.615 -7.630 9.046 623 HG SER 80 HG SER 80 -8.991 -8.381 10.939 624 H THR 81 H THR 81 -5.826 -10.772 10.927 625 HA THR 81 HA THR 81 -4.839 -12.183 8.719 626 HB THR 81 HB THR 81 -4.742 -13.123 10.962 627 HG1 THR 81 HG1 THR 81 -4.757 -14.976 9.961 628 1HG2 THR 81 1HG2 THR 81 -6.739 -13.985 12.084 629 2HG2 THR 81 2HG2 THR 81 -6.848 -12.242 11.834 630 3HG2 THR 81 3HG2 THR 81 -7.748 -13.341 10.790 631 H ASP 82 H ASP 82 -8.021 -11.073 9.493 632 HA ASP 82 HA ASP 82 -9.478 -12.896 7.869 633 1HB ASP 82 1HB ASP 82 -10.367 -11.425 9.767 634 2HB ASP 82 2HB ASP 82 -10.362 -10.106 8.600 635 H VAL 83 H VAL 83 -7.838 -9.874 7.323 636 HA VAL 83 HA VAL 83 -8.933 -9.439 4.695 637 HB VAL 83 HB VAL 83 -6.462 -8.189 5.910 638 1HG1 VAL 83 1HG1 VAL 83 -8.284 -7.236 3.705 639 2HG1 VAL 83 2HG1 VAL 83 -6.888 -6.369 4.344 640 3HG1 VAL 83 3HG1 VAL 83 -6.663 -7.898 3.495 641 1HG2 VAL 83 1HG2 VAL 83 -7.915 -6.334 6.593 642 2HG2 VAL 83 2HG2 VAL 83 -9.323 -7.248 6.051 643 3HG2 VAL 83 3HG2 VAL 83 -8.350 -7.842 7.396 644 H LEU 84 H LEU 84 -6.141 -10.972 6.112 645 HA LEU 84 HA LEU 84 -4.466 -11.128 3.878 646 1HB LEU 84 1HB LEU 84 -4.743 -13.068 6.175 647 2HB LEU 84 2HB LEU 84 -3.403 -13.027 5.045 648 HG LEU 84 HG LEU 84 -4.134 -10.837 6.994 649 1HD1 LEU 84 1HD1 LEU 84 -1.816 -12.769 6.963 650 2HD1 LEU 84 2HD1 LEU 84 -2.060 -11.457 8.119 651 3HD1 LEU 84 3HD1 LEU 84 -3.188 -12.812 8.072 652 1HD2 LEU 84 1HD2 LEU 84 -3.168 -9.952 4.925 653 2HD2 LEU 84 2HD2 LEU 84 -2.054 -9.781 6.283 654 3HD2 LEU 84 3HD2 LEU 84 -1.803 -11.056 5.093 655 H ALA 85 H ALA 85 -7.133 -13.169 4.919 656 HA ALA 85 HA ALA 85 -6.769 -15.314 3.164 657 1HB ALA 85 1HB ALA 85 -9.358 -14.172 4.209 658 2HB ALA 85 2HB ALA 85 -9.149 -15.772 3.495 659 3HB ALA 85 3HB ALA 85 -8.352 -15.371 5.018 660 H ALA 86 H ALA 86 -8.475 -12.248 2.732 661 HA ALA 86 HA ALA 86 -9.562 -12.812 0.191 662 1HB ALA 86 1HB ALA 86 -9.952 -10.407 0.029 663 2HB ALA 86 2HB ALA 86 -10.402 -11.018 1.621 664 3HB ALA 86 3HB ALA 86 -8.890 -10.135 1.410 665 H CYS 87 H CYS 87 -6.570 -11.168 1.180 666 HA CYS 87 HA CYS 87 -5.735 -10.504 -1.446 667 1HB CYS 87 1HB CYS 87 -4.884 -9.490 0.718 668 2HB CYS 87 2HB CYS 87 -3.934 -10.955 0.939 669 HG CYS 87 HG CYS 87 -2.199 -10.553 -1.095 670 H LEU 88 H LEU 88 -5.248 -13.298 0.624 671 HA LEU 88 HA LEU 88 -3.303 -14.621 -0.925 672 1HB LEU 88 1HB LEU 88 -3.962 -15.151 1.442 673 2HB LEU 88 2HB LEU 88 -5.428 -15.878 0.819 674 HG LEU 88 HG LEU 88 -2.743 -16.880 -0.087 675 1HD1 LEU 88 1HD1 LEU 88 -2.682 -16.853 2.358 676 2HD1 LEU 88 2HD1 LEU 88 -4.212 -17.730 2.408 677 3HD1 LEU 88 3HD1 LEU 88 -2.775 -18.501 1.735 678 1HD2 LEU 88 1HD2 LEU 88 -4.732 -17.668 -1.275 679 2HD2 LEU 88 2HD2 LEU 88 -3.981 -18.976 -0.362 680 3HD2 LEU 88 3HD2 LEU 88 -5.442 -18.198 0.249 681 H THR 89 H THR 89 -6.849 -14.746 -0.954 682 HA THR 89 HA THR 89 -7.005 -16.747 -2.966 683 HB THR 89 HB THR 89 -9.409 -16.004 -3.165 684 HG1 THR 89 HG1 THR 89 -8.481 -13.845 -1.928 685 1HG2 THR 89 1HG2 THR 89 -8.742 -17.807 -1.668 686 2HG2 THR 89 2HG2 THR 89 -8.361 -16.636 -0.404 687 3HG2 THR 89 3HG2 THR 89 -10.028 -16.844 -0.941 688 H ARG 90 H ARG 90 -6.089 -13.532 -3.180 689 HA ARG 90 HA ARG 90 -6.937 -13.361 -5.986 690 1HB ARG 90 1HB ARG 90 -5.835 -11.244 -4.134 691 2HB ARG 90 2HB ARG 90 -6.179 -10.983 -5.837 692 1HG ARG 90 1HG ARG 90 -8.164 -11.671 -3.681 693 2HG ARG 90 2HG ARG 90 -7.988 -10.124 -4.510 694 1HD ARG 90 1HD ARG 90 -8.825 -12.740 -5.756 695 2HD ARG 90 2HD ARG 90 -9.871 -11.366 -5.411 696 HE ARG 90 HE ARG 90 -7.828 -10.443 -7.052 697 1HH1 ARG 90 1HH1 ARG 90 -10.474 -12.740 -7.241 698 2HH1 ARG 90 2HH1 ARG 90 -10.672 -12.545 -8.955 699 1HH2 ARG 90 1HH2 ARG 90 -8.107 -10.177 -9.290 700 2HH2 ARG 90 2HH2 ARG 90 -9.320 -11.108 -10.128 701 H GLY 91 H GLY 91 -4.302 -14.131 -4.031 702 1HA GLY 91 1HA GLY 91 -2.191 -14.848 -4.596 703 2HA GLY 91 2HA GLY 91 -2.628 -14.631 -6.284 704 H ILE 92 H ILE 92 -2.791 -12.075 -3.890 705 HA ILE 92 HA ILE 92 -0.759 -10.626 -5.440 706 HB ILE 92 HB ILE 92 -2.748 -9.478 -3.471 707 1HG1 ILE 92 1HG1 ILE 92 -2.888 -9.508 -6.498 708 2HG1 ILE 92 2HG1 ILE 92 -3.856 -10.529 -5.441 709 1HG2 ILE 92 1HG2 ILE 92 -0.773 -8.097 -3.789 710 2HG2 ILE 92 2HG2 ILE 92 -0.977 -8.176 -5.540 711 3HG2 ILE 92 3HG2 ILE 92 -2.173 -7.342 -4.548 712 1HD1 ILE 92 1HD1 ILE 92 -4.919 -8.560 -4.494 713 2HD1 ILE 92 2HD1 ILE 92 -3.927 -7.524 -5.519 714 3HD1 ILE 92 3HD1 ILE 92 -5.114 -8.606 -6.247 715 H GLY 93 H GLY 93 1.098 -9.936 -4.515 716 1HA GLY 93 1HA GLY 93 1.838 -10.998 -1.950 717 2HA GLY 93 2HA GLY 93 2.845 -10.012 -3.003 718 H LEU 94 H LEU 94 2.501 -9.824 -0.124 719 HA LEU 94 HA LEU 94 1.635 -7.036 0.048 720 1HB LEU 94 1HB LEU 94 -0.328 -8.303 0.701 721 2HB LEU 94 2HB LEU 94 0.620 -9.258 1.823 722 HG LEU 94 HG LEU 94 1.016 -7.238 3.187 723 1HD1 LEU 94 1HD1 LEU 94 0.835 -5.559 1.436 724 2HD1 LEU 94 2HD1 LEU 94 -0.881 -5.923 1.249 725 3HD1 LEU 94 3HD1 LEU 94 -0.287 -5.217 2.753 726 1HD2 LEU 94 1HD2 LEU 94 -1.882 -7.843 2.619 727 2HD2 LEU 94 2HD2 LEU 94 -0.830 -8.727 3.725 728 3HD2 LEU 94 3HD2 LEU 94 -1.261 -7.051 4.068 729 H GLU 95 H GLU 95 3.519 -6.141 0.591 730 HA GLU 95 HA GLU 95 5.162 -7.422 2.663 731 1HB GLU 95 1HB GLU 95 5.818 -5.217 0.700 732 2HB GLU 95 2HB GLU 95 6.928 -5.829 1.920 733 1HG GLU 95 1HG GLU 95 5.739 -7.445 -0.327 734 2HG GLU 95 2HG GLU 95 7.364 -6.762 -0.302 735 H ALA 96 H ALA 96 5.093 -6.649 4.664 736 HA ALA 96 HA ALA 96 3.874 -4.017 5.107 737 1HB ALA 96 1HB ALA 96 2.783 -5.902 6.218 738 2HB ALA 96 2HB ALA 96 4.292 -6.289 7.047 739 3HB ALA 96 3HB ALA 96 3.460 -4.773 7.391 740 H MET 97 H MET 97 5.167 -2.383 5.519 741 HA MET 97 HA MET 97 7.516 -2.737 7.212 742 1HB MET 97 1HB MET 97 7.630 -1.628 4.401 743 2HB MET 97 2HB MET 97 8.889 -1.355 5.597 744 1HG MET 97 1HG MET 97 9.295 -3.755 5.728 745 2HG MET 97 2HG MET 97 8.018 -4.039 4.545 746 1HE MET 97 1HE MET 97 9.495 -2.340 1.339 747 2HE MET 97 2HE MET 97 8.466 -1.581 2.554 748 3HE MET 97 3HE MET 97 8.134 -3.230 2.026 749 H THR 98 H THR 98 8.606 -0.270 7.044 750 HA THR 98 HA THR 98 6.519 1.448 8.098 751 HB THR 98 HB THR 98 8.509 2.997 8.529 752 HG1 THR 98 HG1 THR 98 10.423 1.201 8.574 753 1HG2 THR 98 1HG2 THR 98 7.510 1.626 10.284 754 2HG2 THR 98 2HG2 THR 98 8.498 0.252 9.793 755 3HG2 THR 98 3HG2 THR 98 9.262 1.689 10.472 756 H ASN 99 H ASN 99 6.767 3.858 7.471 757 HA ASN 99 HA ASN 99 6.014 4.173 4.797 758 1HB ASN 99 1HB ASN 99 5.374 5.770 6.530 759 2HB ASN 99 2HB ASN 99 7.055 6.238 6.752 760 1HD2 ASN 99 2HD2 ASN 99 4.254 6.485 4.729 761 2HD2 ASN 99 1HD2 ASN 99 4.834 7.771 3.736 762 H ALA 100 H ALA 100 9.091 5.000 6.383 763 HA ALA 100 HA ALA 100 10.357 6.014 4.083 764 1HB ALA 100 1HB ALA 100 11.142 6.473 6.349 765 2HB ALA 100 2HB ALA 100 11.615 4.783 6.530 766 3HB ALA 100 3HB ALA 100 12.429 5.806 5.347 767 H ALA 101 H ALA 101 10.122 2.751 5.370 768 HA ALA 101 HA ALA 101 12.125 1.651 3.656 769 1HB ALA 101 1HB ALA 101 9.940 0.257 5.197 770 2HB ALA 101 2HB ALA 101 11.338 -0.517 4.449 771 3HB ALA 101 3HB ALA 101 11.565 0.608 5.789 772 H ALA 102 H ALA 102 8.582 1.749 3.587 773 HA ALA 102 HA ALA 102 8.321 0.135 1.265 774 1HB ALA 102 1HB ALA 102 6.000 0.865 1.248 775 2HB ALA 102 2HB ALA 102 6.506 0.426 2.881 776 3HB ALA 102 3HB ALA 102 6.374 2.124 2.423 777 H ALA 103 H ALA 103 8.708 3.582 1.795 778 HA ALA 103 HA ALA 103 8.050 4.489 -0.784 779 1HB ALA 103 1HB ALA 103 9.309 6.491 -0.222 780 2HB ALA 103 2HB ALA 103 8.324 5.979 1.149 781 3HB ALA 103 3HB ALA 103 10.059 5.660 1.140 782 H ARG 104 H ARG 104 11.036 3.229 0.584 783 HA ARG 104 HA ARG 104 12.730 3.732 -1.609 784 1HB ARG 104 1HB ARG 104 13.567 3.110 0.612 785 2HB ARG 104 2HB ARG 104 12.846 1.515 0.448 786 1HG ARG 104 1HG ARG 104 14.323 1.191 -1.570 787 2HG ARG 104 2HG ARG 104 15.159 2.667 -1.079 788 1HD ARG 104 1HD ARG 104 14.844 0.164 0.574 789 2HD ARG 104 2HD ARG 104 16.314 0.689 -0.244 790 HE ARG 104 HE ARG 104 16.285 2.643 1.275 791 1HH1 ARG 104 1HH1 ARG 104 14.475 -0.224 2.176 792 2HH1 ARG 104 2HH1 ARG 104 14.630 0.074 3.881 793 1HH2 ARG 104 1HH2 ARG 104 16.468 3.041 3.502 794 2HH2 ARG 104 2HH2 ARG 104 15.751 1.930 4.638 795 H THR 105 H THR 105 10.751 0.931 -0.744 796 HA THR 105 HA THR 105 11.566 -0.721 -2.872 797 HB THR 105 HB THR 105 8.855 -0.874 -1.577 798 HG1 THR 105 HG1 THR 105 10.990 -2.202 -0.368 799 1HG2 THR 105 1HG2 THR 105 9.239 -3.288 -1.790 800 2HG2 THR 105 2HG2 THR 105 9.358 -2.482 -3.355 801 3HG2 THR 105 3HG2 THR 105 10.821 -2.974 -2.503 802 H TYR 106 H TYR 106 8.938 1.615 -2.520 803 HA TYR 106 HA TYR 106 7.518 1.074 -4.859 804 1HB TYR 106 1HB TYR 106 6.695 2.595 -3.117 805 2HB TYR 106 2HB TYR 106 7.969 3.746 -3.505 806 HD1 TYR 106 HD1 TYR 106 4.850 2.195 -4.747 807 HD2 TYR 106 HD2 TYR 106 7.745 5.261 -5.334 808 HE1 TYR 106 HE1 TYR 106 3.371 3.275 -6.389 809 HE2 TYR 106 HE2 TYR 106 6.273 6.346 -6.977 810 HH TYR 106 HH TYR 106 3.010 5.529 -7.351 811 H ASN 107 H ASN 107 10.310 3.184 -4.325 812 HA ASN 107 HA ASN 107 10.499 4.312 -6.873 813 1HB ASN 107 1HB ASN 107 11.794 4.909 -4.753 814 2HB ASN 107 2HB ASN 107 12.864 3.573 -5.144 815 1HD2 ASN 107 2HD2 ASN 107 12.677 4.116 -8.062 816 2HD2 ASN 107 1HD2 ASN 107 13.663 5.520 -8.318 817 H VAL 108 H VAL 108 11.823 1.292 -5.596 818 HA VAL 108 HA VAL 108 13.317 0.625 -7.916 819 HB VAL 108 HB VAL 108 12.263 -1.239 -5.782 820 1HG1 VAL 108 1HG1 VAL 108 14.127 -2.688 -6.451 821 2HG1 VAL 108 2HG1 VAL 108 13.001 -2.413 -7.781 822 3HG1 VAL 108 3HG1 VAL 108 14.541 -1.553 -7.736 823 1HG2 VAL 108 1HG2 VAL 108 14.892 0.235 -5.926 824 2HG2 VAL 108 2HG2 VAL 108 13.575 0.570 -4.802 825 3HG2 VAL 108 3HG2 VAL 108 14.447 -0.961 -4.710 826 H LEU 109 H LEU 109 10.151 -0.458 -6.704 827 HA LEU 109 HA LEU 109 9.666 -2.291 -8.794 828 1HB LEU 109 1HB LEU 109 7.702 -0.876 -6.993 829 2HB LEU 109 2HB LEU 109 7.341 -2.276 -7.986 830 HG LEU 109 HG LEU 109 9.298 -2.212 -5.685 831 1HD1 LEU 109 1HD1 LEU 109 6.962 -2.074 -4.973 832 2HD1 LEU 109 2HD1 LEU 109 6.592 -3.514 -5.921 833 3HD1 LEU 109 3HD1 LEU 109 7.686 -3.624 -4.543 834 1HD2 LEU 109 1HD2 LEU 109 8.379 -4.511 -7.408 835 2HD2 LEU 109 2HD2 LEU 109 9.980 -3.770 -7.438 836 3HD2 LEU 109 3HD2 LEU 109 9.431 -4.626 -5.997 837 H ALA 110 H ALA 110 9.010 1.140 -8.467 838 HA ALA 110 HA ALA 110 7.248 1.401 -10.656 839 1HB ALA 110 1HB ALA 110 7.523 3.135 -8.946 840 2HB ALA 110 2HB ALA 110 9.154 3.453 -9.536 841 3HB ALA 110 3HB ALA 110 7.763 3.777 -10.571 842 H SER 111 H SER 111 10.767 1.421 -10.418 843 HA SER 111 HA SER 111 11.082 2.081 -13.211 844 1HB SER 111 1HB SER 111 13.527 1.692 -12.718 845 2HB SER 111 2HB SER 111 12.759 2.938 -11.734 846 HG SER 111 HG SER 111 12.600 0.439 -10.616 847 H GLU 112 H GLU 112 10.437 -0.716 -11.469 848 HA GLU 112 HA GLU 112 11.788 -2.551 -13.254 849 1HB GLU 112 1HB GLU 112 11.277 -2.928 -10.766 850 2HB GLU 112 2HB GLU 112 9.617 -3.209 -11.259 851 1HG GLU 112 1HG GLU 112 11.945 -4.795 -12.312 852 2HG GLU 112 2HG GLU 112 11.021 -5.255 -10.887 853 H GLY 113 H GLY 113 8.576 -1.248 -12.719 854 1HA GLY 113 1HA GLY 113 7.010 -0.950 -14.499 855 2HA GLY 113 2HA GLY 113 7.754 -2.306 -15.337 856 H ARG 114 H ARG 114 6.687 -2.059 -11.984 857 HA ARG 114 HA ARG 114 4.684 -4.144 -12.517 858 1HB ARG 114 1HB ARG 114 6.658 -5.170 -11.499 859 2HB ARG 114 2HB ARG 114 6.622 -3.994 -10.195 860 1HG ARG 114 1HG ARG 114 4.715 -4.950 -9.235 861 2HG ARG 114 2HG ARG 114 4.333 -5.864 -10.697 862 1HD ARG 114 1HD ARG 114 6.817 -6.310 -9.049 863 2HD ARG 114 2HD ARG 114 5.321 -7.217 -8.826 864 HE ARG 114 HE ARG 114 5.599 -7.935 -11.196 865 1HH1 ARG 114 1HH1 ARG 114 8.383 -7.001 -9.275 866 2HH1 ARG 114 2HH1 ARG 114 9.509 -7.848 -10.286 867 1HH2 ARG 114 1HH2 ARG 114 7.093 -9.076 -12.498 868 2HH2 ARG 114 2HH2 ARG 114 8.787 -9.016 -12.115 869 H ARG 115 H ARG 115 2.696 -3.657 -11.761 870 HA ARG 115 HA ARG 115 2.241 -1.118 -10.568 871 1HB ARG 115 1HB ARG 115 0.354 -3.446 -10.936 872 2HB ARG 115 2HB ARG 115 -0.129 -1.850 -10.379 873 1HG ARG 115 1HG ARG 115 0.940 -1.015 -12.573 874 2HG ARG 115 2HG ARG 115 0.812 -2.699 -13.083 875 1HD ARG 115 1HD ARG 115 -1.413 -0.855 -12.241 876 2HD ARG 115 2HD ARG 115 -1.143 -1.551 -13.836 877 HE ARG 115 HE ARG 115 -2.093 -3.000 -11.454 878 1HH1 ARG 115 1HH1 ARG 115 -1.622 -2.791 -14.912 879 2HH1 ARG 115 2HH1 ARG 115 -2.579 -4.201 -15.266 880 1HH2 ARG 115 1HH2 ARG 115 -3.378 -4.840 -11.895 881 2HH2 ARG 115 2HH2 ARG 115 -3.610 -5.350 -13.546 882 H VAL 116 H VAL 116 3.118 -0.844 -8.642 883 HA VAL 116 HA VAL 116 2.459 -2.717 -6.504 884 HB VAL 116 HB VAL 116 4.792 -2.198 -6.570 885 1HG1 VAL 116 1HG1 VAL 116 5.661 0.087 -6.399 886 2HG1 VAL 116 2HG1 VAL 116 4.709 -0.144 -7.865 887 3HG1 VAL 116 3HG1 VAL 116 4.016 0.715 -6.490 888 1HG2 VAL 116 1HG2 VAL 116 3.484 -0.626 -4.353 889 2HG2 VAL 116 2HG2 VAL 116 3.824 -2.356 -4.345 890 3HG2 VAL 116 3HG2 VAL 116 5.153 -1.196 -4.364 891 H ALA 117 H ALA 117 0.956 -2.273 -5.056 892 HA ALA 117 HA ALA 117 -0.291 0.366 -5.046 893 1HB ALA 117 1HB ALA 117 -1.092 -2.168 -3.608 894 2HB ALA 117 2HB ALA 117 -2.025 -0.672 -3.671 895 3HB ALA 117 3HB ALA 117 -1.751 -1.604 -5.143 896 H LEU 118 H LEU 118 0.925 1.755 -3.892 897 HA LEU 118 HA LEU 118 2.210 0.882 -1.439 898 1HB LEU 118 1HB LEU 118 3.339 2.384 -3.090 899 2HB LEU 118 2HB LEU 118 2.158 3.622 -2.710 900 HG LEU 118 HG LEU 118 2.968 3.607 -0.356 901 1HD1 LEU 118 1HD1 LEU 118 5.109 2.528 0.133 902 2HD1 LEU 118 2HD1 LEU 118 3.871 1.347 -0.298 903 3HD1 LEU 118 3HD1 LEU 118 5.105 1.799 -1.473 904 1HD2 LEU 118 1HD2 LEU 118 5.052 4.800 -0.823 905 2HD2 LEU 118 2HD2 LEU 118 5.048 4.162 -2.467 906 3HD2 LEU 118 3HD2 LEU 118 3.773 5.265 -1.947 907 H ALA 119 H ALA 119 0.621 0.537 0.043 908 HA ALA 119 HA ALA 119 -1.373 2.618 0.509 909 1HB ALA 119 1HB ALA 119 -2.150 0.306 0.402 910 2HB ALA 119 2HB ALA 119 -1.083 -0.121 1.740 911 3HB ALA 119 3HB ALA 119 -2.426 0.992 2.004 912 H MET 120 H MET 120 -0.559 4.247 1.645 913 HA MET 120 HA MET 120 1.278 3.671 3.850 914 1HB MET 120 1HB MET 120 0.631 6.209 2.362 915 2HB MET 120 2HB MET 120 1.581 6.196 3.841 916 1HG MET 120 1HG MET 120 2.289 4.752 1.296 917 2HG MET 120 2HG MET 120 2.975 6.283 1.838 918 1HE MET 120 1HE MET 120 5.464 5.599 1.850 919 2HE MET 120 2HE MET 120 4.940 4.122 1.040 920 3HE MET 120 3HE MET 120 6.042 4.031 2.414 921 H ILE 121 H ILE 121 0.526 3.574 5.809 922 HA ILE 121 HA ILE 121 -1.814 5.214 6.540 923 HB ILE 121 HB ILE 121 -0.765 2.746 7.956 924 1HG1 ILE 121 1HG1 ILE 121 -3.255 3.065 6.258 925 2HG1 ILE 121 2HG1 ILE 121 -1.791 2.225 5.756 926 1HG2 ILE 121 1HG2 ILE 121 -1.841 4.343 9.454 927 2HG2 ILE 121 2HG2 ILE 121 -3.269 4.368 8.417 928 3HG2 ILE 121 3HG2 ILE 121 -2.823 2.890 9.270 929 1HD1 ILE 121 1HD1 ILE 121 -3.614 1.444 8.020 930 2HD1 ILE 121 2HD1 ILE 121 -3.468 0.642 6.456 931 3HD1 ILE 121 3HD1 ILE 121 -2.117 0.619 7.589 932 H VAL 122 H VAL 122 -1.144 7.024 7.519 933 HA VAL 122 HA VAL 122 1.074 6.811 9.436 934 HB VAL 122 HB VAL 122 1.754 9.151 8.770 935 1HG1 VAL 122 1HG1 VAL 122 3.059 7.205 8.110 936 2HG1 VAL 122 2HG1 VAL 122 2.044 6.993 6.683 937 3HG1 VAL 122 3HG1 VAL 122 3.063 8.425 6.835 938 1HG2 VAL 122 1HG2 VAL 122 1.148 9.909 6.523 939 2HG2 VAL 122 2HG2 VAL 122 0.040 8.546 6.365 940 3HG2 VAL 122 3HG2 VAL 122 -0.263 9.794 7.574 941 H GLY 123 H GLY 123 0.858 7.968 11.304 942 1HA GLY 123 1HA GLY 123 -1.845 8.965 11.787 943 2HA GLY 123 2HA GLY 123 -0.682 8.503 13.016 944 H GLY 124 H GLY 124 -1.554 10.983 10.696 945 1HA GLY 124 1HA GLY 124 0.332 12.933 11.407 946 2HA GLY 124 2HA GLY 124 -1.271 13.267 10.764 947 H LEU 125 H LEU 125 -3.007 12.590 12.569 948 HA LEU 125 HA LEU 125 -2.123 13.635 15.168 949 1HB LEU 125 1HB LEU 125 -4.705 14.320 13.748 950 2HB LEU 125 2HB LEU 125 -4.357 14.720 15.416 951 HG LEU 125 HG LEU 125 -2.318 16.004 14.421 952 1HD1 LEU 125 1HD1 LEU 125 -2.757 16.933 12.198 953 2HD1 LEU 125 2HD1 LEU 125 -2.520 15.185 12.140 954 3HD1 LEU 125 3HD1 LEU 125 -4.146 15.860 12.027 955 1HD2 LEU 125 1HD2 LEU 125 -4.181 17.041 15.582 956 2HD2 LEU 125 2HD2 LEU 125 -3.710 18.000 14.180 957 3HD2 LEU 125 3HD2 LEU 125 -5.150 16.984 14.109 958 H GLU 126 H GLU 126 -3.026 12.568 16.953 959 HA GLU 126 HA GLU 126 -4.323 10.059 16.257 960 1HB GLU 126 1HB GLU 126 -2.353 10.158 17.843 961 2HB GLU 126 2HB GLU 126 -3.432 10.916 19.008 962 1HG GLU 126 1HG GLU 126 -4.918 8.922 18.814 963 2HG GLU 126 2HG GLU 126 -3.674 8.161 17.825 964 H HIS 127 H HIS 127 -4.838 11.985 19.194 965 HA HIS 127 HA HIS 127 -6.746 12.424 20.364 966 1HB HIS 127 1HB HIS 127 -7.569 13.156 17.555 967 2HB HIS 127 2HB HIS 127 -8.654 13.373 18.921 968 HD1 HIS 127 HD1 HIS 127 -8.580 15.638 19.903 969 HD2 HIS 127 HD2 HIS 127 -4.977 14.616 18.078 970 HE1 HIS 127 HE1 HIS 127 -7.110 17.670 20.105 971 HE2 HIS 127 HE2 HIS 127 -4.954 17.055 18.955 972 H HIS 128 H HIS 128 -6.572 9.898 20.430 973 HA HIS 128 HA HIS 128 -8.307 8.355 18.808 974 1HB HIS 128 1HB HIS 128 -6.200 7.660 20.179 975 2HB HIS 128 2HB HIS 128 -7.340 7.440 21.501 976 HD1 HIS 128 HD1 HIS 128 -7.228 6.354 17.839 977 HD2 HIS 128 HD2 HIS 128 -8.105 4.855 21.623 978 HE1 HIS 128 HE1 HIS 128 -7.825 3.937 17.493 979 HE2 HIS 128 HE2 HIS 128 -8.114 3.001 19.812 980 H HIS 129 H HIS 129 -10.397 8.921 18.851 981 HA HIS 129 HA HIS 129 -11.811 8.729 21.431 982 1HB HIS 129 1HB HIS 129 -13.228 10.609 20.829 983 2HB HIS 129 2HB HIS 129 -11.546 11.118 20.763 984 HD1 HIS 129 HD1 HIS 129 -10.513 11.310 18.269 985 HD2 HIS 129 HD2 HIS 129 -14.650 11.016 18.541 986 HE1 HIS 129 HE1 HIS 129 -11.394 12.075 16.044 987 HE2 HIS 129 HE2 HIS 129 -13.903 12.060 16.294 988 H HIS 130 H HIS 130 -14.071 8.109 21.227 989 HA HIS 130 HA HIS 130 -14.484 6.526 18.795 990 1HB HIS 130 1HB HIS 130 -16.098 5.186 20.096 991 2HB HIS 130 2HB HIS 130 -14.490 5.158 20.797 992 HD1 HIS 130 HD1 HIS 130 -14.179 6.365 23.092 993 HD2 HIS 130 HD2 HIS 130 -18.097 6.258 21.702 994 HE1 HIS 130 HE1 HIS 130 -15.616 6.984 25.061 995 HE2 HIS 130 HE2 HIS 130 -17.951 7.145 24.130 996 H HIS 131 H HIS 131 -15.598 7.630 17.344 997 HA HIS 131 HA HIS 131 -17.877 9.252 18.141 998 1HB HIS 131 1HB HIS 131 -16.357 9.897 16.221 999 2HB HIS 131 2HB HIS 131 -16.996 8.517 15.334 1000 HD1 HIS 131 HD1 HIS 131 -18.184 9.817 13.504 1001 HD2 HIS 131 HD2 HIS 131 -19.299 10.996 17.339 1002 HE1 HIS 131 HE1 HIS 131 -20.146 11.365 13.202 1003 HE2 HIS 131 HE2 HIS 131 -20.913 11.916 15.537 1004 H HIS 132 H HIS 132 -17.134 6.094 17.521 1005 HA HIS 132 HA HIS 132 -19.732 5.234 16.581 1006 1HB HIS 132 1HB HIS 132 -17.695 4.087 15.808 1007 2HB HIS 132 2HB HIS 132 -17.282 3.684 17.469 1008 HD1 HIS 132 HD1 HIS 132 -18.751 1.824 18.637 1009 HD2 HIS 132 HD2 HIS 132 -19.513 2.404 14.583 1010 HE1 HIS 132 HE1 HIS 132 -20.028 -0.209 17.882 1011 HE2 HIS 132 HE2 HIS 132 -20.319 0.083 15.397 Start of MODEL 9 1 1H MET 1 1HT MET 1 -2.644 29.658 -24.178 2 2H MET 1 2HT MET 1 -3.772 29.382 -25.413 3 3H MET 1 3HT MET 1 -2.196 29.874 -25.798 4 HA MET 1 HA MET 1 -2.934 27.309 -24.516 5 1HB MET 1 1HB MET 1 -3.617 27.374 -26.861 6 2HB MET 1 2HB MET 1 -2.020 27.939 -27.332 7 1HG MET 1 1HG MET 1 -1.071 25.812 -26.491 8 2HG MET 1 2HG MET 1 -2.710 25.252 -26.167 9 1HE MET 1 1HE MET 1 -0.615 23.647 -27.963 10 2HE MET 1 2HE MET 1 -1.658 23.133 -29.289 11 3HE MET 1 3HE MET 1 -2.255 23.088 -27.630 12 HA PRO 2 HA PRO 2 1.428 27.487 -23.408 13 1HB PRO 2 1HB PRO 2 0.959 24.922 -22.123 14 2HB PRO 2 2HB PRO 2 1.344 26.475 -21.378 15 1HG PRO 2 1HG PRO 2 -1.075 25.259 -21.119 16 2HG PRO 2 2HG PRO 2 -0.860 27.017 -21.064 17 1HD PRO 2 1HD PRO 2 -1.801 25.290 -23.326 18 2HD PRO 2 2HD PRO 2 -2.402 26.876 -22.792 19 H LEU 3 H LEU 3 3.272 26.232 -23.980 20 HA LEU 3 HA LEU 3 2.863 24.653 -26.362 21 1HB LEU 3 1HB LEU 3 5.382 25.379 -24.863 22 2HB LEU 3 2HB LEU 3 5.350 24.521 -26.392 23 HG LEU 3 HG LEU 3 4.395 27.348 -25.925 24 1HD1 LEU 3 1HD1 LEU 3 6.777 26.271 -27.426 25 2HD1 LEU 3 2HD1 LEU 3 6.287 27.963 -27.340 26 3HD1 LEU 3 3HD1 LEU 3 6.821 27.124 -25.883 27 1HD2 LEU 3 1HD2 LEU 3 4.101 27.434 -28.353 28 2HD2 LEU 3 2HD2 LEU 3 4.504 25.721 -28.463 29 3HD2 LEU 3 3HD2 LEU 3 3.043 26.231 -27.616 30 H ASN 4 H ASN 4 3.431 24.081 -23.015 31 HA ASN 4 HA ASN 4 3.339 22.213 -21.738 32 1HB ASN 4 1HB ASN 4 2.654 20.842 -24.342 33 2HB ASN 4 2HB ASN 4 2.680 20.025 -22.782 34 1HD2 ASN 4 2HD2 ASN 4 0.473 20.446 -24.629 35 2HD2 ASN 4 1HD2 ASN 4 -0.748 21.285 -23.736 36 H GLN 5 H GLN 5 5.220 21.959 -24.683 37 HA GLN 5 HA GLN 5 6.939 19.875 -23.821 38 1HB GLN 5 1HB GLN 5 8.354 20.587 -25.732 39 2HB GLN 5 2HB GLN 5 6.668 20.339 -26.170 40 1HG GLN 5 1HG GLN 5 6.281 22.737 -26.116 41 2HG GLN 5 2HG GLN 5 7.952 23.006 -25.624 42 1HE2 GLN 5 2HE2 GLN 5 5.839 22.077 -28.220 43 2HE2 GLN 5 1HE2 GLN 5 6.994 22.262 -29.499 44 H GLU 6 H GLU 6 6.660 22.860 -22.529 45 HA GLU 6 HA GLU 6 9.337 23.717 -22.271 46 1HB GLU 6 1HB GLU 6 7.480 25.216 -21.785 47 2HB GLU 6 2HB GLU 6 6.970 24.185 -20.452 48 1HG GLU 6 1HG GLU 6 9.304 24.610 -19.488 49 2HG GLU 6 2HG GLU 6 9.392 25.931 -20.652 50 H HIS 7 H HIS 7 7.237 21.934 -20.006 51 HA HIS 7 HA HIS 7 9.671 20.778 -18.871 52 1HB HIS 7 1HB HIS 7 8.653 20.878 -16.595 53 2HB HIS 7 2HB HIS 7 9.046 22.447 -17.273 54 HD1 HIS 7 HD1 HIS 7 7.068 24.063 -17.770 55 HD2 HIS 7 HD2 HIS 7 5.938 20.416 -16.106 56 HE1 HIS 7 HE1 HIS 7 4.686 24.357 -17.036 57 HE2 HIS 7 HE2 HIS 7 4.126 22.238 -15.792 58 HA PRO 8 HA PRO 8 6.962 17.252 -19.890 59 1HB PRO 8 1HB PRO 8 9.433 15.998 -20.766 60 2HB PRO 8 2HB PRO 8 7.991 16.371 -21.709 61 1HG PRO 8 1HG PRO 8 10.364 17.646 -22.065 62 2HG PRO 8 2HG PRO 8 8.796 18.414 -22.378 63 1HD PRO 8 1HD PRO 8 10.591 18.669 -19.990 64 2HD PRO 8 2HD PRO 8 9.681 19.929 -20.855 65 H ASP 9 H ASP 9 7.234 14.971 -19.176 66 HA ASP 9 HA ASP 9 7.564 13.421 -17.558 67 1HB ASP 9 1HB ASP 9 10.173 14.895 -17.169 68 2HB ASP 9 2HB ASP 9 9.745 13.432 -16.290 69 H TYR 10 H TYR 10 5.828 14.032 -16.332 70 HA TYR 10 HA TYR 10 6.135 16.071 -14.297 71 1HB TYR 10 1HB TYR 10 3.833 14.210 -14.927 72 2HB TYR 10 2HB TYR 10 3.787 15.496 -13.722 73 HD1 TYR 10 HD1 TYR 10 3.614 14.691 -17.259 74 HD2 TYR 10 HD2 TYR 10 3.894 17.863 -14.438 75 HE1 TYR 10 HE1 TYR 10 2.950 16.292 -19.002 76 HE2 TYR 10 HE2 TYR 10 3.226 19.473 -16.173 77 HH TYR 10 HH TYR 10 3.190 19.689 -18.567 78 H THR 11 H THR 11 6.263 15.712 -12.104 79 HA THR 11 HA THR 11 6.790 12.932 -11.313 80 HB THR 11 HB THR 11 8.948 13.968 -11.728 81 HG1 THR 11 HG1 THR 11 9.810 13.282 -9.877 82 1HG2 THR 11 1HG2 THR 11 8.088 16.077 -9.745 83 2HG2 THR 11 2HG2 THR 11 9.699 15.924 -10.447 84 3HG2 THR 11 3HG2 THR 11 8.320 16.312 -11.478 85 H TYR 12 H TYR 12 6.206 12.361 -9.286 86 HA TYR 12 HA TYR 12 5.320 14.474 -7.459 87 1HB TYR 12 1HB TYR 12 3.655 12.711 -6.559 88 2HB TYR 12 2HB TYR 12 3.248 13.564 -8.038 89 HD1 TYR 12 HD1 TYR 12 3.353 12.394 -10.212 90 HD2 TYR 12 HD2 TYR 12 4.019 10.330 -6.549 91 HE1 TYR 12 HE1 TYR 12 2.974 10.251 -11.356 92 HE2 TYR 12 HE2 TYR 12 3.648 8.184 -7.688 93 HH TYR 12 HH TYR 12 3.542 7.883 -11.067 94 H ALA 13 H ALA 13 7.203 14.510 -6.344 95 HA ALA 13 HA ALA 13 8.381 11.978 -5.493 96 1HB ALA 13 1HB ALA 13 9.495 14.775 -5.339 97 2HB ALA 13 2HB ALA 13 10.361 13.288 -4.958 98 3HB ALA 13 3HB ALA 13 9.831 13.598 -6.610 99 H LEU 14 H LEU 14 8.441 11.296 -3.459 100 HA LEU 14 HA LEU 14 7.049 12.726 -1.395 101 1HB LEU 14 1HB LEU 14 8.635 10.157 -1.383 102 2HB LEU 14 2HB LEU 14 7.920 10.832 0.065 103 HG LEU 14 HG LEU 14 6.472 9.118 -0.696 104 1HD1 LEU 14 1HD1 LEU 14 5.343 11.103 0.112 105 2HD1 LEU 14 2HD1 LEU 14 5.322 11.776 -1.519 106 3HD1 LEU 14 3HD1 LEU 14 4.399 10.318 -1.152 107 1HD2 LEU 14 1HD2 LEU 14 7.254 8.897 -2.978 108 2HD2 LEU 14 2HD2 LEU 14 5.500 9.074 -2.949 109 3HD2 LEU 14 3HD2 LEU 14 6.516 10.440 -3.405 110 H ARG 15 H ARG 15 8.077 14.578 -0.852 111 HA ARG 15 HA ARG 15 10.944 14.701 -0.630 112 1HB ARG 15 1HB ARG 15 8.902 16.568 -1.014 113 2HB ARG 15 2HB ARG 15 9.552 16.941 0.578 114 1HG ARG 15 1HG ARG 15 10.745 18.247 -1.002 115 2HG ARG 15 2HG ARG 15 11.830 16.969 -0.453 116 1HD ARG 15 1HD ARG 15 11.105 15.660 -2.493 117 2HD ARG 15 2HD ARG 15 10.332 17.140 -3.058 118 HE ARG 15 HE ARG 15 13.230 16.764 -2.649 119 1HH1 ARG 15 1HH1 ARG 15 10.546 18.512 -4.087 120 2HH1 ARG 15 2HH1 ARG 15 11.563 19.478 -5.116 121 1HH2 ARG 15 1HH2 ARG 15 14.554 17.977 -4.043 122 2HH2 ARG 15 2HH2 ARG 15 13.849 19.169 -5.100 123 H ALA 16 H ALA 16 8.412 13.796 1.384 124 HA ALA 16 HA ALA 16 10.243 13.515 3.614 125 1HB ALA 16 1HB ALA 16 7.608 14.949 3.936 126 2HB ALA 16 2HB ALA 16 8.720 14.514 5.233 127 3HB ALA 16 3HB ALA 16 9.203 15.698 4.018 128 H ALA 17 H ALA 17 10.112 11.426 4.046 129 HA ALA 17 HA ALA 17 7.463 10.141 4.013 130 1HB ALA 17 1HB ALA 17 8.946 9.217 2.302 131 2HB ALA 17 2HB ALA 17 10.159 8.866 3.532 132 3HB ALA 17 3HB ALA 17 8.610 8.023 3.554 133 H ASP 18 H ASP 18 6.759 10.004 6.035 134 HA ASP 18 HA ASP 18 8.528 8.933 8.094 135 1HB ASP 18 1HB ASP 18 8.711 11.405 8.229 136 2HB ASP 18 2HB ASP 18 6.966 11.509 8.434 137 H GLY 19 H GLY 19 7.179 8.558 10.169 138 1HA GLY 19 1HA GLY 19 4.936 6.956 9.417 139 2HA GLY 19 2HA GLY 19 5.534 7.212 11.047 140 H ARG 20 H ARG 20 5.296 10.163 10.821 141 HA ARG 20 HA ARG 20 2.344 10.297 10.943 142 1HB ARG 20 1HB ARG 20 3.811 12.265 12.573 143 2HB ARG 20 2HB ARG 20 2.350 11.365 12.940 144 1HG ARG 20 1HG ARG 20 3.744 10.461 14.483 145 2HG ARG 20 2HG ARG 20 4.071 9.364 13.139 146 1HD ARG 20 1HD ARG 20 6.155 10.087 14.150 147 2HD ARG 20 2HD ARG 20 6.015 10.736 12.516 148 HE ARG 20 HE ARG 20 5.218 12.413 14.788 149 1HH1 ARG 20 1HH1 ARG 20 7.412 11.792 12.118 150 2HH1 ARG 20 2HH1 ARG 20 8.184 13.350 12.238 151 1HH2 ARG 20 1HH2 ARG 20 6.192 14.428 14.928 152 2HH2 ARG 20 2HH2 ARG 20 7.479 14.866 13.844 153 H HIS 21 H HIS 21 4.734 11.137 9.039 154 HA HIS 21 HA HIS 21 3.431 13.604 8.218 155 1HB HIS 21 1HB HIS 21 5.173 14.361 9.739 156 2HB HIS 21 2HB HIS 21 6.387 13.461 8.845 157 HD1 HIS 21 HD1 HIS 21 7.779 15.022 7.564 158 HD2 HIS 21 HD2 HIS 21 3.812 16.266 7.700 159 HE1 HIS 21 HE1 HIS 21 7.682 17.136 6.207 160 HE2 HIS 21 HE2 HIS 21 5.353 18.017 6.575 161 H ALA 22 H ALA 22 3.521 13.987 6.100 162 HA ALA 22 HA ALA 22 5.325 12.482 4.381 163 1HB ALA 22 1HB ALA 22 3.369 11.021 4.573 164 2HB ALA 22 2HB ALA 22 2.326 12.348 4.059 165 3HB ALA 22 3HB ALA 22 3.515 11.678 2.942 166 H LYS 23 H LYS 23 5.404 13.373 2.211 167 HA LYS 23 HA LYS 23 3.969 15.848 1.741 168 1HB LYS 23 1HB LYS 23 5.931 16.561 3.045 169 2HB LYS 23 2HB LYS 23 6.989 15.785 1.877 170 1HG LYS 23 1HG LYS 23 6.310 17.340 0.163 171 2HG LYS 23 2HG LYS 23 5.127 18.068 1.254 172 1HD LYS 23 1HD LYS 23 6.938 18.761 2.749 173 2HD LYS 23 2HD LYS 23 8.118 18.032 1.660 174 1HE LYS 23 1HE LYS 23 7.532 19.590 -0.087 175 2HE LYS 23 2HE LYS 23 6.234 20.260 0.902 176 1HZ LYS 23 1HZ LYS 23 7.867 21.041 2.482 177 2HZ LYS 23 2HZ LYS 23 9.127 20.356 1.575 178 3HZ LYS 23 3HZ LYS 23 8.227 21.649 0.941 179 H VAL 24 H VAL 24 3.089 15.182 -0.132 180 HA VAL 24 HA VAL 24 4.781 13.975 -2.183 181 HB VAL 24 HB VAL 24 1.846 14.671 -2.399 182 1HG1 VAL 24 1HG1 VAL 24 1.849 12.958 -4.164 183 2HG1 VAL 24 2HG1 VAL 24 2.939 14.296 -4.530 184 3HG1 VAL 24 3HG1 VAL 24 3.590 12.762 -3.951 185 1HG2 VAL 24 1HG2 VAL 24 2.160 13.172 -0.503 186 2HG2 VAL 24 2HG2 VAL 24 1.369 12.335 -1.839 187 3HG2 VAL 24 3HG2 VAL 24 3.082 12.062 -1.519 188 H ASN 25 H ASN 25 6.118 15.654 -2.748 189 HA ASN 25 HA ASN 25 6.859 17.569 -3.690 190 1HB ASN 25 1HB ASN 25 4.129 17.471 -4.948 191 2HB ASN 25 2HB ASN 25 5.234 18.807 -5.252 192 1HD2 ASN 25 2HD2 ASN 25 4.192 16.904 -7.127 193 2HD2 ASN 25 1HD2 ASN 25 5.561 16.086 -7.813 194 H GLU 26 H GLU 26 3.472 18.322 -2.934 195 HA GLU 26 HA GLU 26 4.425 20.575 -1.290 196 1HB GLU 26 1HB GLU 26 3.534 21.518 -3.303 197 2HB GLU 26 2HB GLU 26 2.127 20.464 -3.247 198 1HG GLU 26 1HG GLU 26 1.584 21.641 -1.034 199 2HG GLU 26 2HG GLU 26 2.753 22.853 -1.554 200 H GLN 27 H GLN 27 1.658 18.441 -1.947 201 HA GLN 27 HA GLN 27 0.290 19.370 0.400 202 1HB GLN 27 1HB GLN 27 -0.832 18.842 -1.775 203 2HB GLN 27 2HB GLN 27 -0.506 17.140 -1.474 204 1HG GLN 27 1HG GLN 27 -1.973 17.065 0.348 205 2HG GLN 27 2HG GLN 27 -2.035 18.823 0.479 206 1HE2 GLN 27 2HE2 GLN 27 -3.210 16.033 -1.223 207 2HE2 GLN 27 1HE2 GLN 27 -4.481 16.837 -2.073 208 H ILE 28 H ILE 28 0.202 18.497 2.317 209 HA ILE 28 HA ILE 28 1.632 16.039 2.884 210 HB ILE 28 HB ILE 28 0.232 17.977 4.736 211 1HG1 ILE 28 1HG1 ILE 28 3.181 17.597 4.173 212 2HG1 ILE 28 2HG1 ILE 28 2.200 18.922 3.556 213 1HG2 ILE 28 1HG2 ILE 28 0.331 15.752 5.709 214 2HG2 ILE 28 2HG2 ILE 28 2.059 15.663 5.373 215 3HG2 ILE 28 3HG2 ILE 28 1.446 16.835 6.540 216 1HD1 ILE 28 1HD1 ILE 28 3.525 19.616 5.466 217 2HD1 ILE 28 2HD1 ILE 28 1.803 19.687 5.837 218 3HD1 ILE 28 3HD1 ILE 28 2.783 18.357 6.453 219 H LEU 29 H LEU 29 0.484 14.254 2.397 220 HA LEU 29 HA LEU 29 -2.369 14.161 2.893 221 1HB LEU 29 1HB LEU 29 -0.480 12.086 1.777 222 2HB LEU 29 2HB LEU 29 -2.218 11.885 1.913 223 HG LEU 29 HG LEU 29 -0.819 13.952 0.211 224 1HD1 LEU 29 1HD1 LEU 29 -2.302 11.443 -0.555 225 2HD1 LEU 29 2HD1 LEU 29 -1.663 12.646 -1.674 226 3HD1 LEU 29 3HD1 LEU 29 -0.561 11.700 -0.673 227 1HD2 LEU 29 1HD2 LEU 29 -3.055 14.400 -0.685 228 2HD2 LEU 29 2HD2 LEU 29 -3.745 13.286 0.495 229 3HD2 LEU 29 3HD2 LEU 29 -2.953 14.765 1.038 230 H GLN 30 H GLN 30 -2.694 14.154 5.038 231 HA GLN 30 HA GLN 30 -1.132 12.472 6.799 232 1HB GLN 30 1HB GLN 30 -2.576 13.514 8.576 233 2HB GLN 30 2HB GLN 30 -1.633 14.653 7.624 234 1HG GLN 30 1HG GLN 30 -3.566 15.270 6.343 235 2HG GLN 30 2HG GLN 30 -4.532 14.017 7.121 236 1HE2 GLN 30 2HE2 GLN 30 -4.937 16.911 6.995 237 2HE2 GLN 30 1HE2 GLN 30 -5.037 17.442 8.636 238 H GLN 31 H GLN 31 -2.500 10.889 5.021 239 HA GLN 31 HA GLN 31 -4.172 9.369 6.851 240 1HB GLN 31 1HB GLN 31 -6.000 9.074 5.288 241 2HB GLN 31 2HB GLN 31 -5.774 10.791 5.583 242 1HG GLN 31 1HG GLN 31 -4.657 11.055 3.461 243 2HG GLN 31 2HG GLN 31 -4.718 9.317 3.177 244 1HE2 GLN 31 2HE2 GLN 31 -7.350 11.099 4.604 245 2HE2 GLN 31 1HE2 GLN 31 -8.435 10.946 3.272 246 H SER 32 H SER 32 -4.812 7.209 5.621 247 HA SER 32 HA SER 32 -2.427 6.223 4.304 248 1HB SER 32 1HB SER 32 -3.649 4.831 5.992 249 2HB SER 32 2HB SER 32 -5.014 4.754 4.877 250 HG SER 32 HG SER 32 -2.401 3.932 4.166 251 H PHE 33 H PHE 33 -2.236 6.852 2.256 252 HA PHE 33 HA PHE 33 -4.632 6.722 0.555 253 1HB PHE 33 1HB PHE 33 -3.523 8.330 -0.933 254 2HB PHE 33 2HB PHE 33 -3.690 8.978 0.693 255 HD1 PHE 33 HD1 PHE 33 -1.394 7.969 -1.917 256 HD2 PHE 33 HD2 PHE 33 -1.711 9.176 2.150 257 HE1 PHE 33 HE1 PHE 33 1.011 8.484 -1.887 258 HE2 PHE 33 HE2 PHE 33 0.694 9.691 2.190 259 HZ PHE 33 HZ PHE 33 2.058 9.347 0.168 260 H ILE 34 H ILE 34 -4.322 5.993 -1.644 261 HA ILE 34 HA ILE 34 -2.379 3.803 -1.725 262 HB ILE 34 HB ILE 34 -4.760 4.290 -3.522 263 1HG1 ILE 34 1HG1 ILE 34 -4.480 2.344 -1.225 264 2HG1 ILE 34 2HG1 ILE 34 -5.367 3.862 -1.141 265 1HG2 ILE 34 1HG2 ILE 34 -2.979 1.880 -3.186 266 2HG2 ILE 34 2HG2 ILE 34 -4.426 1.950 -4.192 267 3HG2 ILE 34 3HG2 ILE 34 -3.031 2.954 -4.583 268 1HD1 ILE 34 1HD1 ILE 34 -6.869 1.995 -1.470 269 2HD1 ILE 34 2HD1 ILE 34 -6.888 3.059 -2.878 270 3HD1 ILE 34 3HD1 ILE 34 -6.004 1.533 -2.936 271 H LEU 35 H LEU 35 -0.542 4.236 -2.729 272 HA LEU 35 HA LEU 35 -0.565 6.202 -4.911 273 1HB LEU 35 1HB LEU 35 0.926 6.718 -3.035 274 2HB LEU 35 2HB LEU 35 1.735 5.176 -3.244 275 HG LEU 35 HG LEU 35 2.544 5.895 -5.452 276 1HD1 LEU 35 1HD1 LEU 35 0.732 7.414 -6.034 277 2HD1 LEU 35 2HD1 LEU 35 1.246 8.525 -4.763 278 3HD1 LEU 35 3HD1 LEU 35 2.297 8.219 -6.147 279 1HD2 LEU 35 1HD2 LEU 35 3.942 6.269 -3.500 280 2HD2 LEU 35 2HD2 LEU 35 4.140 7.580 -4.661 281 3HD2 LEU 35 3HD2 LEU 35 3.159 7.822 -3.215 282 H MET 36 H MET 36 -0.609 5.392 -6.855 283 HA MET 36 HA MET 36 0.685 2.797 -7.365 284 1HB MET 36 1HB MET 36 -1.504 4.140 -8.972 285 2HB MET 36 2HB MET 36 -0.864 2.522 -9.221 286 1HG MET 36 1HG MET 36 -1.763 1.806 -7.092 287 2HG MET 36 2HG MET 36 -2.339 3.437 -6.764 288 1HE MET 36 1HE MET 36 -2.422 1.304 -10.097 289 2HE MET 36 2HE MET 36 -4.048 0.626 -9.996 290 3HE MET 36 3HE MET 36 -2.824 0.160 -8.816 291 HA PRO 37 HA PRO 37 3.529 5.014 -9.946 292 1HB PRO 37 1HB PRO 37 4.342 3.030 -11.594 293 2HB PRO 37 2HB PRO 37 4.813 3.103 -9.893 294 1HG PRO 37 1HG PRO 37 2.669 1.472 -11.195 295 2HG PRO 37 2HG PRO 37 3.841 0.992 -9.956 296 1HD PRO 37 1HD PRO 37 1.266 1.641 -9.384 297 2HD PRO 37 2HD PRO 37 2.604 1.914 -8.252 298 H ASP 38 H ASP 38 0.981 5.639 -10.677 299 HA ASP 38 HA ASP 38 1.127 6.184 -13.439 300 1HB ASP 38 1HB ASP 38 0.591 3.788 -13.655 301 2HB ASP 38 2HB ASP 38 -0.845 4.020 -12.665 302 H GLU 39 H GLU 39 -1.028 5.649 -10.682 303 HA GLU 39 HA GLU 39 -2.193 8.299 -11.121 304 1HB GLU 39 1HB GLU 39 -3.718 5.716 -10.839 305 2HB GLU 39 2HB GLU 39 -4.441 7.261 -10.421 306 1HG GLU 39 1HG GLU 39 -3.290 6.640 -13.127 307 2HG GLU 39 2HG GLU 39 -4.984 6.404 -12.703 308 H LEU 40 H LEU 40 -2.883 9.339 -9.244 309 HA LEU 40 HA LEU 40 -1.994 8.108 -6.730 310 1HB LEU 40 1HB LEU 40 -1.052 10.291 -7.191 311 2HB LEU 40 2HB LEU 40 -2.648 10.968 -7.452 312 HG LEU 40 HG LEU 40 -3.178 10.596 -5.064 313 1HD1 LEU 40 1HD1 LEU 40 -0.292 9.749 -4.865 314 2HD1 LEU 40 2HD1 LEU 40 -1.382 10.030 -3.507 315 3HD1 LEU 40 3HD1 LEU 40 -1.699 8.711 -4.634 316 1HD2 LEU 40 1HD2 LEU 40 -0.667 12.183 -5.574 317 2HD2 LEU 40 2HD2 LEU 40 -2.322 12.750 -5.799 318 3HD2 LEU 40 3HD2 LEU 40 -1.734 12.363 -4.182 319 H VAL 41 H VAL 41 -3.556 7.025 -5.689 320 HA VAL 41 HA VAL 41 -6.329 7.918 -6.016 321 HB VAL 41 HB VAL 41 -5.298 5.310 -4.896 322 1HG1 VAL 41 1HG1 VAL 41 -7.622 4.548 -5.133 323 2HG1 VAL 41 2HG1 VAL 41 -7.475 5.885 -3.992 324 3HG1 VAL 41 3HG1 VAL 41 -8.094 6.177 -5.618 325 1HG2 VAL 41 1HG2 VAL 41 -4.786 5.531 -7.266 326 2HG2 VAL 41 2HG2 VAL 41 -6.047 4.324 -7.007 327 3HG2 VAL 41 3HG2 VAL 41 -6.471 5.930 -7.602 328 H GLU 42 H GLU 42 -6.697 9.471 -4.566 329 HA GLU 42 HA GLU 42 -5.844 9.172 -1.793 330 1HB GLU 42 1HB GLU 42 -7.378 11.401 -3.148 331 2HB GLU 42 2HB GLU 42 -6.746 11.440 -1.511 332 1HG GLU 42 1HG GLU 42 -4.488 11.418 -2.327 333 2HG GLU 42 2HG GLU 42 -5.055 11.206 -3.987 334 H HIS 43 H HIS 43 -7.725 10.218 -0.301 335 HA HIS 43 HA HIS 43 -9.793 10.157 0.614 336 1HB HIS 43 1HB HIS 43 -10.650 9.300 -2.156 337 2HB HIS 43 2HB HIS 43 -11.767 9.656 -0.844 338 HD1 HIS 43 HD1 HIS 43 -12.286 12.091 -0.369 339 HD2 HIS 43 HD2 HIS 43 -9.267 11.578 -3.186 340 HE1 HIS 43 HE1 HIS 43 -11.857 14.376 -1.334 341 HE2 HIS 43 HE2 HIS 43 -9.886 14.070 -2.876 342 H TRP 44 H TRP 44 -8.160 8.070 1.151 343 HA TRP 44 HA TRP 44 -10.015 5.784 1.211 344 1HB TRP 44 1HB TRP 44 -7.660 5.537 0.172 345 2HB TRP 44 2HB TRP 44 -7.067 5.626 1.826 346 HD1 TRP 44 HD1 TRP 44 -10.247 3.692 0.834 347 HE1 TRP 44 HE1 TRP 44 -9.864 1.190 1.319 348 HE3 TRP 44 HE3 TRP 44 -5.301 3.864 2.123 349 HZ2 TRP 44 HZ2 TRP 44 -7.746 -0.481 2.131 350 HZ3 TRP 44 HZ3 TRP 44 -4.168 1.767 2.732 351 HH2 TRP 44 HH2 TRP 44 -5.367 -0.361 2.736 352 HA PRO 45 HA PRO 45 -10.452 7.241 5.395 353 1HB PRO 45 1HB PRO 45 -12.493 5.634 6.106 354 2HB PRO 45 2HB PRO 45 -12.704 7.002 5.006 355 1HG PRO 45 1HG PRO 45 -12.429 4.089 4.378 356 2HG PRO 45 2HG PRO 45 -13.527 5.289 3.672 357 1HD PRO 45 1HD PRO 45 -11.209 4.472 2.480 358 2HD PRO 45 2HD PRO 45 -11.938 6.068 2.219 359 H VAL 46 H VAL 46 -8.213 5.804 5.328 360 HA VAL 46 HA VAL 46 -8.573 3.904 7.554 361 HB VAL 46 HB VAL 46 -6.480 3.774 5.370 362 1HG1 VAL 46 1HG1 VAL 46 -6.891 1.977 7.759 363 2HG1 VAL 46 2HG1 VAL 46 -5.731 1.714 6.458 364 3HG1 VAL 46 3HG1 VAL 46 -5.554 3.104 7.529 365 1HG2 VAL 46 1HG2 VAL 46 -8.774 1.931 6.038 366 2HG2 VAL 46 2HG2 VAL 46 -8.667 2.995 4.637 367 3HG2 VAL 46 3HG2 VAL 46 -7.550 1.640 4.802 368 HA PRO 47 HA PRO 47 -5.826 7.002 9.396 369 1HB PRO 47 1HB PRO 47 -6.932 6.269 11.938 370 2HB PRO 47 2HB PRO 47 -7.204 7.753 11.024 371 1HG PRO 47 1HG PRO 47 -9.126 5.830 11.510 372 2HG PRO 47 2HG PRO 47 -9.187 7.010 10.191 373 1HD PRO 47 1HD PRO 47 -8.359 4.137 10.130 374 2HD PRO 47 2HD PRO 47 -9.275 5.075 8.930 375 H SER 48 H SER 48 -6.658 3.958 11.058 376 HA SER 48 HA SER 48 -3.785 3.474 11.463 377 1HB SER 48 1HB SER 48 -6.129 2.817 13.254 378 2HB SER 48 2HB SER 48 -4.534 2.094 13.461 379 HG SER 48 HG SER 48 -5.115 4.883 13.502 380 H LEU 49 H LEU 49 -3.307 1.071 11.730 381 HA LEU 49 HA LEU 49 -4.199 -0.225 9.364 382 1HB LEU 49 1HB LEU 49 -1.934 -0.503 10.309 383 2HB LEU 49 2HB LEU 49 -2.623 -1.367 11.671 384 HG LEU 49 HG LEU 49 -3.412 -3.136 10.151 385 1HD1 LEU 49 1HD1 LEU 49 -3.716 -1.771 8.150 386 2HD1 LEU 49 2HD1 LEU 49 -1.969 -1.562 8.021 387 3HD1 LEU 49 3HD1 LEU 49 -2.682 -3.163 7.825 388 1HD2 LEU 49 1HD2 LEU 49 -1.235 -3.362 11.209 389 2HD2 LEU 49 2HD2 LEU 49 -1.223 -4.069 9.592 390 3HD2 LEU 49 3HD2 LEU 49 -0.481 -2.493 9.871 391 H GLY 50 H GLY 50 -5.299 -0.208 12.618 392 1HA GLY 50 1HA GLY 50 -6.685 -2.690 12.612 393 2HA GLY 50 2HA GLY 50 -6.998 -1.333 13.685 394 H GLN 51 H GLN 51 -7.203 0.031 10.770 395 HA GLN 51 HA GLN 51 -10.096 -0.286 10.615 396 1HB GLN 51 1HB GLN 51 -9.116 1.980 10.582 397 2HB GLN 51 2HB GLN 51 -8.222 1.571 9.128 398 1HG GLN 51 1HG GLN 51 -10.101 2.886 8.502 399 2HG GLN 51 2HG GLN 51 -10.384 1.236 7.957 400 1HE2 GLN 51 2HE2 GLN 51 -12.260 3.413 8.480 401 2HE2 GLN 51 1HE2 GLN 51 -13.385 2.805 9.648 402 H LEU 52 H LEU 52 -7.372 -1.695 9.303 403 HA LEU 52 HA LEU 52 -8.154 -1.998 6.590 404 1HB LEU 52 1HB LEU 52 -5.827 -2.262 7.371 405 2HB LEU 52 2HB LEU 52 -6.293 -3.714 8.235 406 HG LEU 52 HG LEU 52 -6.878 -4.786 6.086 407 1HD1 LEU 52 1HD1 LEU 52 -5.734 -2.276 4.870 408 2HD1 LEU 52 2HD1 LEU 52 -6.186 -3.738 3.991 409 3HD1 LEU 52 3HD1 LEU 52 -7.422 -2.783 4.811 410 1HD2 LEU 52 1HD2 LEU 52 -4.583 -5.082 5.293 411 2HD2 LEU 52 2HD2 LEU 52 -4.078 -3.675 6.229 412 3HD2 LEU 52 3HD2 LEU 52 -4.669 -5.118 7.054 413 H GLN 53 H GLN 53 -9.953 -2.932 6.051 414 HA GLN 53 HA GLN 53 -10.562 -5.629 6.979 415 1HB GLN 53 1HB GLN 53 -11.765 -3.965 8.452 416 2HB GLN 53 2HB GLN 53 -12.602 -3.386 7.021 417 1HG GLN 53 1HG GLN 53 -13.593 -5.604 6.715 418 2HG GLN 53 2HG GLN 53 -12.774 -6.159 8.175 419 1HE2 GLN 53 2HE2 GLN 53 -13.479 -5.431 10.180 420 2HE2 GLN 53 1HE2 GLN 53 -15.016 -4.663 10.395 421 HA PRO 54 HA PRO 54 -11.248 -6.473 2.691 422 1HB PRO 54 1HB PRO 54 -13.856 -7.590 3.658 423 2HB PRO 54 2HB PRO 54 -12.691 -8.282 2.522 424 1HG PRO 54 1HG PRO 54 -12.762 -9.120 5.038 425 2HG PRO 54 2HG PRO 54 -11.213 -8.895 4.206 426 1HD PRO 54 1HD PRO 54 -12.478 -7.245 6.327 427 2HD PRO 54 2HD PRO 54 -10.760 -7.501 5.967 428 H ALA 55 H ALA 55 -14.147 -5.276 4.401 429 HA ALA 55 HA ALA 55 -15.555 -4.331 2.192 430 1HB ALA 55 1HB ALA 55 -15.552 -3.165 4.971 431 2HB ALA 55 2HB ALA 55 -16.806 -2.959 3.749 432 3HB ALA 55 3HB ALA 55 -16.505 -4.552 4.443 433 H HIS 56 H HIS 56 -12.862 -2.876 3.894 434 HA HIS 56 HA HIS 56 -13.187 -0.416 2.329 435 1HB HIS 56 1HB HIS 56 -11.770 -1.051 4.879 436 2HB HIS 56 2HB HIS 56 -11.164 0.271 3.884 437 HD1 HIS 56 HD1 HIS 56 -13.275 -0.206 6.657 438 HD2 HIS 56 HD2 HIS 56 -13.583 2.031 3.155 439 HE1 HIS 56 HE1 HIS 56 -14.984 1.579 7.130 440 HE2 HIS 56 HE2 HIS 56 -15.144 2.935 5.010 441 H MET 57 H MET 57 -11.522 -3.315 2.262 442 HA MET 57 HA MET 57 -9.259 -2.218 0.780 443 1HB MET 57 1HB MET 57 -8.978 -4.097 2.447 444 2HB MET 57 2HB MET 57 -9.878 -5.124 1.339 445 1HG MET 57 1HG MET 57 -8.178 -4.809 -0.367 446 2HG MET 57 2HG MET 57 -7.290 -3.723 0.700 447 1HE MET 57 1HE MET 57 -4.931 -6.815 0.654 448 2HE MET 57 2HE MET 57 -5.055 -5.067 0.457 449 3HE MET 57 3HE MET 57 -5.851 -6.143 -0.692 450 H ASP 58 H ASP 58 -12.381 -3.101 0.240 451 HA ASP 58 HA ASP 58 -12.463 -4.484 -2.149 452 1HB ASP 58 1HB ASP 58 -14.502 -4.061 -1.002 453 2HB ASP 58 2HB ASP 58 -14.241 -2.320 -1.024 454 H ALA 59 H ALA 59 -12.045 -1.012 -1.610 455 HA ALA 59 HA ALA 59 -12.027 -0.183 -4.283 456 1HB ALA 59 1HB ALA 59 -10.884 1.811 -3.497 457 2HB ALA 59 2HB ALA 59 -12.167 1.358 -2.377 458 3HB ALA 59 3HB ALA 59 -10.485 1.007 -1.979 459 H VAL 60 H VAL 60 -9.449 -1.450 -2.242 460 HA VAL 60 HA VAL 60 -7.325 -0.958 -4.067 461 HB VAL 60 HB VAL 60 -7.434 -3.078 -1.914 462 1HG1 VAL 60 1HG1 VAL 60 -4.996 -2.831 -1.884 463 2HG1 VAL 60 2HG1 VAL 60 -5.581 -3.352 -3.465 464 3HG1 VAL 60 3HG1 VAL 60 -5.102 -1.673 -3.211 465 1HG2 VAL 60 1HG2 VAL 60 -6.544 -0.205 -1.692 466 2HG2 VAL 60 2HG2 VAL 60 -8.002 -0.896 -0.979 467 3HG2 VAL 60 3HG2 VAL 60 -6.415 -1.429 -0.429 468 H LEU 61 H LEU 61 -9.418 -3.724 -3.399 469 HA LEU 61 HA LEU 61 -8.170 -5.524 -5.193 470 1HB LEU 61 1HB LEU 61 -11.021 -5.482 -4.197 471 2HB LEU 61 2HB LEU 61 -10.243 -6.838 -4.991 472 HG LEU 61 HG LEU 61 -9.441 -5.674 -2.322 473 1HD1 LEU 61 1HD1 LEU 61 -10.857 -8.244 -3.014 474 2HD1 LEU 61 2HD1 LEU 61 -10.290 -7.781 -1.409 475 3HD1 LEU 61 3HD1 LEU 61 -11.559 -6.846 -2.198 476 1HD2 LEU 61 1HD2 LEU 61 -7.536 -6.592 -3.544 477 2HD2 LEU 61 2HD2 LEU 61 -7.954 -7.605 -2.161 478 3HD2 LEU 61 3HD2 LEU 61 -8.415 -8.103 -3.790 479 H ALA 62 H ALA 62 -10.685 -3.110 -5.558 480 HA ALA 62 HA ALA 62 -11.534 -3.828 -8.157 481 1HB ALA 62 1HB ALA 62 -11.574 -1.104 -6.860 482 2HB ALA 62 2HB ALA 62 -12.521 -1.610 -8.258 483 3HB ALA 62 3HB ALA 62 -12.818 -2.340 -6.681 484 H LEU 63 H LEU 63 -8.920 -1.807 -6.963 485 HA LEU 63 HA LEU 63 -8.132 -0.753 -9.477 486 1HB LEU 63 1HB LEU 63 -6.525 -1.190 -6.958 487 2HB LEU 63 2HB LEU 63 -5.993 -0.245 -8.336 488 HG LEU 63 HG LEU 63 -8.386 0.401 -6.609 489 1HD1 LEU 63 1HD1 LEU 63 -7.021 2.250 -5.784 490 2HD1 LEU 63 2HD1 LEU 63 -6.286 0.693 -5.409 491 3HD1 LEU 63 3HD1 LEU 63 -5.653 1.670 -6.734 492 1HD2 LEU 63 1HD2 LEU 63 -7.070 1.949 -8.837 493 2HD2 LEU 63 2HD2 LEU 63 -8.649 1.165 -8.906 494 3HD2 LEU 63 3HD2 LEU 63 -8.387 2.526 -7.816 495 H ASN 64 H ASN 64 -7.509 -3.702 -7.773 496 HA ASN 64 HA ASN 64 -6.520 -5.655 -8.310 497 1HB ASN 64 1HB ASN 64 -7.894 -5.485 -10.361 498 2HB ASN 64 2HB ASN 64 -6.573 -4.634 -11.156 499 1HD2 ASN 64 2HD2 ASN 64 -4.701 -5.777 -11.716 500 2HD2 ASN 64 1HD2 ASN 64 -4.674 -7.507 -11.786 501 HA PRO 65 HA PRO 65 -2.249 -4.197 -8.635 502 1HB PRO 65 1HB PRO 65 -1.602 -4.528 -6.013 503 2HB PRO 65 2HB PRO 65 -2.310 -3.045 -6.655 504 1HG PRO 65 1HG PRO 65 -3.494 -5.005 -4.869 505 2HG PRO 65 2HG PRO 65 -4.109 -3.412 -5.335 506 1HD PRO 65 1HD PRO 65 -4.829 -6.058 -6.374 507 2HD PRO 65 2HD PRO 65 -5.682 -4.510 -6.551 508 H ALA 66 H ALA 66 -0.343 -5.464 -8.559 509 HA ALA 66 HA ALA 66 -0.775 -8.329 -8.311 510 1HB ALA 66 1HB ALA 66 0.503 -7.499 -10.219 511 2HB ALA 66 2HB ALA 66 1.689 -6.785 -9.125 512 3HB ALA 66 3HB ALA 66 1.499 -8.537 -9.198 513 H VAL 67 H VAL 67 0.997 -5.717 -6.775 514 HA VAL 67 HA VAL 67 1.242 -7.377 -4.380 515 HB VAL 67 HB VAL 67 3.391 -7.669 -5.471 516 1HG1 VAL 67 1HG1 VAL 67 3.604 -4.664 -5.454 517 2HG1 VAL 67 2HG1 VAL 67 4.885 -5.785 -5.916 518 3HG1 VAL 67 3HG1 VAL 67 3.408 -5.691 -6.875 519 1HG2 VAL 67 1HG2 VAL 67 3.383 -7.525 -3.038 520 2HG2 VAL 67 2HG2 VAL 67 4.875 -6.860 -3.704 521 3HG2 VAL 67 3HG2 VAL 67 3.605 -5.779 -3.130 522 H ILE 68 H ILE 68 0.944 -6.267 -2.512 523 HA ILE 68 HA ILE 68 0.592 -3.353 -2.748 524 HB ILE 68 HB ILE 68 -0.653 -5.265 -0.757 525 1HG1 ILE 68 1HG1 ILE 68 -2.782 -4.193 -1.807 526 2HG1 ILE 68 2HG1 ILE 68 -1.712 -3.773 -3.140 527 1HG2 ILE 68 1HG2 ILE 68 -1.853 -3.320 0.122 528 2HG2 ILE 68 2HG2 ILE 68 -0.109 -3.156 0.322 529 3HG2 ILE 68 3HG2 ILE 68 -0.937 -2.270 -0.958 530 1HD1 ILE 68 1HD1 ILE 68 -2.908 -5.825 -3.595 531 2HD1 ILE 68 2HD1 ILE 68 -1.179 -6.136 -3.444 532 3HD1 ILE 68 3HD1 ILE 68 -2.268 -6.546 -2.118 533 H LEU 69 H LEU 69 2.025 -2.125 -1.764 534 HA LEU 69 HA LEU 69 3.721 -3.277 0.325 535 1HB LEU 69 1HB LEU 69 3.929 -0.661 -1.173 536 2HB LEU 69 2HB LEU 69 5.044 -1.188 0.073 537 HG LEU 69 HG LEU 69 4.606 -2.548 -2.588 538 1HD1 LEU 69 1HD1 LEU 69 6.919 -0.929 -1.533 539 2HD1 LEU 69 2HD1 LEU 69 6.883 -1.791 -3.071 540 3HD1 LEU 69 3HD1 LEU 69 5.791 -0.434 -2.794 541 1HD2 LEU 69 1HD2 LEU 69 6.550 -3.172 -0.365 542 2HD2 LEU 69 2HD2 LEU 69 5.156 -4.149 -0.828 543 3HD2 LEU 69 3HD2 LEU 69 6.504 -3.951 -1.948 544 H LEU 70 H LEU 70 2.912 -3.110 2.291 545 HA LEU 70 HA LEU 70 1.032 -0.962 2.894 546 1HB LEU 70 1HB LEU 70 0.422 -3.298 3.398 547 2HB LEU 70 2HB LEU 70 1.795 -3.415 4.482 548 HG LEU 70 HG LEU 70 0.767 -1.625 5.884 549 1HD1 LEU 70 1HD1 LEU 70 -1.592 -1.099 5.549 550 2HD1 LEU 70 2HD1 LEU 70 -0.618 -0.585 4.173 551 3HD1 LEU 70 3HD1 LEU 70 -1.596 -2.048 4.062 552 1HD2 LEU 70 1HD2 LEU 70 -0.925 -3.081 6.873 553 2HD2 LEU 70 2HD2 LEU 70 -0.904 -4.092 5.427 554 3HD2 LEU 70 3HD2 LEU 70 0.530 -3.983 6.449 555 H GLY 71 H GLY 71 2.099 0.854 3.424 556 1HA GLY 71 1HA GLY 71 4.410 0.712 5.208 557 2HA GLY 71 2HA GLY 71 3.819 2.148 4.381 558 H THR 72 H THR 72 3.758 0.316 7.251 559 HA THR 72 HA THR 72 1.349 1.552 8.282 560 HB THR 72 HB THR 72 1.967 0.269 10.388 561 HG1 THR 72 HG1 THR 72 4.028 -0.614 8.637 562 1HG2 THR 72 1HG2 THR 72 1.628 -1.289 7.824 563 2HG2 THR 72 2HG2 THR 72 1.282 -1.888 9.447 564 3HG2 THR 72 3HG2 THR 72 0.333 -0.562 8.775 565 H GLY 73 H GLY 73 2.505 3.734 7.879 566 1HA GLY 73 1HA GLY 73 3.696 5.553 8.624 567 2HA GLY 73 2HA GLY 73 3.094 5.059 10.200 568 H GLU 74 H GLU 74 4.659 5.027 11.623 569 HA GLU 74 HA GLU 74 7.073 3.512 10.950 570 1HB GLU 74 1HB GLU 74 7.426 6.069 11.095 571 2HB GLU 74 2HB GLU 74 7.154 5.876 12.821 572 1HG GLU 74 1HG GLU 74 9.262 4.342 11.327 573 2HG GLU 74 2HG GLU 74 9.557 5.923 12.046 574 H ARG 75 H ARG 75 5.527 1.943 11.798 575 HA ARG 75 HA ARG 75 6.238 1.198 14.427 576 1HB ARG 75 1HB ARG 75 3.914 1.178 15.377 577 2HB ARG 75 2HB ARG 75 4.596 2.785 15.176 578 1HG ARG 75 1HG ARG 75 3.325 2.899 12.989 579 2HG ARG 75 2HG ARG 75 2.479 1.445 13.522 580 1HD ARG 75 1HD ARG 75 1.796 2.644 15.572 581 2HD ARG 75 2HD ARG 75 2.563 4.102 14.943 582 HE ARG 75 HE ARG 75 0.102 2.857 13.984 583 1HH1 ARG 75 1HH1 ARG 75 2.515 5.384 13.586 584 2HH1 ARG 75 2HH1 ARG 75 1.466 6.381 12.620 585 1HH2 ARG 75 1HH2 ARG 75 -1.246 4.165 12.726 586 2HH2 ARG 75 2HH2 ARG 75 -0.660 5.691 12.127 587 H GLN 76 H GLN 76 6.706 -0.801 13.836 588 HA GLN 76 HA GLN 76 5.524 -2.085 11.631 589 1HB GLN 76 1HB GLN 76 7.827 -2.508 12.479 590 2HB GLN 76 2HB GLN 76 7.127 -3.365 13.845 591 1HG GLN 76 1HG GLN 76 6.233 -5.055 12.421 592 2HG GLN 76 2HG GLN 76 6.677 -4.144 10.977 593 1HE2 GLN 76 2HE2 GLN 76 7.415 -6.842 11.775 594 2HE2 GLN 76 1HE2 GLN 76 9.141 -6.877 11.823 595 H GLN 77 H GLN 77 3.383 -2.353 11.756 596 HA GLN 77 HA GLN 77 2.362 -4.113 13.883 597 1HB GLN 77 1HB GLN 77 1.338 -1.894 13.992 598 2HB GLN 77 2HB GLN 77 0.903 -1.990 12.291 599 1HG GLN 77 1HG GLN 77 -1.026 -2.414 13.670 600 2HG GLN 77 2HG GLN 77 -0.586 -3.870 12.781 601 1HE2 GLN 77 2HE2 GLN 77 -1.501 -5.312 14.162 602 2HE2 GLN 77 1HE2 GLN 77 -0.930 -5.592 15.775 603 H PHE 78 H PHE 78 1.208 -5.896 13.277 604 HA PHE 78 HA PHE 78 1.470 -6.662 10.492 605 1HB PHE 78 1HB PHE 78 0.528 -8.280 12.868 606 2HB PHE 78 2HB PHE 78 0.908 -8.911 11.268 607 HD1 PHE 78 HD1 PHE 78 2.185 -8.120 14.492 608 HD2 PHE 78 HD2 PHE 78 3.297 -8.584 10.411 609 HE1 PHE 78 HE1 PHE 78 4.535 -8.395 15.168 610 HE2 PHE 78 HE2 PHE 78 5.649 -8.866 11.079 611 HZ PHE 78 HZ PHE 78 6.269 -8.770 13.461 612 HA PRO 79 HA PRO 79 -2.660 -5.631 9.472 613 1HB PRO 79 1HB PRO 79 -2.646 -7.738 7.442 614 2HB PRO 79 2HB PRO 79 -2.682 -5.986 7.235 615 1HG PRO 79 1HG PRO 79 -0.513 -7.471 6.616 616 2HG PRO 79 2HG PRO 79 -0.390 -5.808 7.222 617 1HD PRO 79 1HD PRO 79 -0.001 -8.393 8.684 618 2HD PRO 79 2HD PRO 79 0.931 -6.884 8.791 619 H SER 80 H SER 80 -4.827 -6.490 9.217 620 HA SER 80 HA SER 80 -5.571 -8.308 11.186 621 1HB SER 80 1HB SER 80 -7.191 -7.669 8.715 622 2HB SER 80 2HB SER 80 -7.791 -8.095 10.318 623 HG SER 80 HG SER 80 -7.651 -5.732 9.535 624 H THR 81 H THR 81 -5.874 -10.482 11.229 625 HA THR 81 HA THR 81 -4.492 -12.087 9.413 626 HB THR 81 HB THR 81 -5.803 -13.945 10.623 627 HG1 THR 81 HG1 THR 81 -6.610 -13.010 12.713 628 1HG2 THR 81 1HG2 THR 81 -4.427 -13.687 12.638 629 2HG2 THR 81 2HG2 THR 81 -3.506 -13.331 11.178 630 3HG2 THR 81 3HG2 THR 81 -4.099 -12.012 12.189 631 H ASP 82 H ASP 82 -7.927 -11.350 9.698 632 HA ASP 82 HA ASP 82 -8.883 -13.190 7.800 633 1HB ASP 82 1HB ASP 82 -10.320 -11.932 9.396 634 2HB ASP 82 2HB ASP 82 -10.022 -10.466 8.468 635 H VAL 83 H VAL 83 -7.570 -9.948 7.486 636 HA VAL 83 HA VAL 83 -8.202 -9.609 4.729 637 HB VAL 83 HB VAL 83 -6.103 -8.225 6.411 638 1HG1 VAL 83 1HG1 VAL 83 -6.179 -6.460 4.712 639 2HG1 VAL 83 2HG1 VAL 83 -5.624 -7.991 4.036 640 3HG1 VAL 83 3HG1 VAL 83 -7.277 -7.445 3.745 641 1HG2 VAL 83 1HG2 VAL 83 -8.929 -7.433 5.720 642 2HG2 VAL 83 2HG2 VAL 83 -8.334 -7.918 7.308 643 3HG2 VAL 83 3HG2 VAL 83 -7.765 -6.419 6.572 644 H LEU 84 H LEU 84 -5.476 -10.917 6.503 645 HA LEU 84 HA LEU 84 -3.642 -11.152 4.393 646 1HB LEU 84 1HB LEU 84 -4.012 -12.942 6.799 647 2HB LEU 84 2HB LEU 84 -2.603 -12.931 5.759 648 HG LEU 84 HG LEU 84 -3.519 -10.592 7.435 649 1HD1 LEU 84 1HD1 LEU 84 -2.750 -12.428 8.834 650 2HD1 LEU 84 2HD1 LEU 84 -1.271 -12.550 7.881 651 3HD1 LEU 84 3HD1 LEU 84 -1.585 -11.103 8.841 652 1HD2 LEU 84 1HD2 LEU 84 -1.333 -9.649 6.878 653 2HD2 LEU 84 2HD2 LEU 84 -0.999 -11.034 5.839 654 3HD2 LEU 84 3HD2 LEU 84 -2.305 -9.920 5.431 655 H ALA 85 H ALA 85 -6.246 -13.256 5.491 656 HA ALA 85 HA ALA 85 -5.730 -15.420 3.753 657 1HB ALA 85 1HB ALA 85 -8.003 -16.137 4.267 658 2HB ALA 85 2HB ALA 85 -7.166 -15.610 5.726 659 3HB ALA 85 3HB ALA 85 -8.356 -14.556 4.961 660 H ALA 86 H ALA 86 -7.483 -12.412 3.350 661 HA ALA 86 HA ALA 86 -8.835 -13.072 0.955 662 1HB ALA 86 1HB ALA 86 -9.505 -11.181 2.342 663 2HB ALA 86 2HB ALA 86 -7.985 -10.364 1.978 664 3HB ALA 86 3HB ALA 86 -9.156 -10.660 0.692 665 H CYS 87 H CYS 87 -5.634 -11.802 1.636 666 HA CYS 87 HA CYS 87 -5.007 -11.359 -1.142 667 1HB CYS 87 1HB CYS 87 -3.137 -11.501 1.233 668 2HB CYS 87 2HB CYS 87 -2.783 -10.800 -0.343 669 HG CYS 87 HG CYS 87 -5.071 -9.577 1.897 670 H LEU 88 H LEU 88 -4.497 -13.826 1.277 671 HA LEU 88 HA LEU 88 -2.583 -15.389 -0.050 672 1HB LEU 88 1HB LEU 88 -3.156 -15.535 2.355 673 2HB LEU 88 2HB LEU 88 -4.699 -16.243 1.933 674 HG LEU 88 HG LEU 88 -2.178 -17.611 1.064 675 1HD1 LEU 88 1HD1 LEU 88 -3.432 -17.816 3.802 676 2HD1 LEU 88 2HD1 LEU 88 -2.131 -18.830 3.179 677 3HD1 LEU 88 3HD1 LEU 88 -1.859 -17.108 3.440 678 1HD2 LEU 88 1HD2 LEU 88 -3.559 -19.601 1.309 679 2HD2 LEU 88 2HD2 LEU 88 -4.885 -18.624 1.941 680 3HD2 LEU 88 3HD2 LEU 88 -4.362 -18.425 0.269 681 H THR 89 H THR 89 -6.093 -15.321 -0.267 682 HA THR 89 HA THR 89 -6.453 -17.836 -1.459 683 HB THR 89 HB THR 89 -8.239 -16.397 -0.388 684 HG1 THR 89 HG1 THR 89 -9.766 -17.450 -1.530 685 1HG2 THR 89 1HG2 THR 89 -9.469 -14.865 -1.850 686 2HG2 THR 89 2HG2 THR 89 -7.811 -14.319 -1.604 687 3HG2 THR 89 3HG2 THR 89 -8.265 -15.103 -3.116 688 H ARG 90 H ARG 90 -5.186 -14.947 -2.809 689 HA ARG 90 HA ARG 90 -5.414 -16.156 -5.485 690 1HB ARG 90 1HB ARG 90 -6.822 -14.167 -5.377 691 2HB ARG 90 2HB ARG 90 -5.468 -13.212 -4.792 692 1HG ARG 90 1HG ARG 90 -4.462 -13.120 -6.856 693 2HG ARG 90 2HG ARG 90 -5.236 -14.602 -7.419 694 1HD ARG 90 1HD ARG 90 -6.702 -12.020 -6.909 695 2HD ARG 90 2HD ARG 90 -6.090 -12.513 -8.489 696 HE ARG 90 HE ARG 90 -7.779 -14.478 -7.224 697 1HH1 ARG 90 1HH1 ARG 90 -7.710 -11.644 -9.302 698 2HH1 ARG 90 2HH1 ARG 90 -9.231 -12.027 -10.064 699 1HH2 ARG 90 1HH2 ARG 90 -9.770 -14.955 -8.218 700 2HH2 ARG 90 2HH2 ARG 90 -10.403 -13.895 -9.438 701 H GLY 91 H GLY 91 -3.361 -15.535 -3.041 702 1HA GLY 91 1HA GLY 91 -1.067 -15.593 -2.895 703 2HA GLY 91 2HA GLY 91 -1.031 -15.929 -4.621 704 H ILE 92 H ILE 92 -2.378 -13.137 -2.936 705 HA ILE 92 HA ILE 92 -0.859 -11.381 -4.689 706 HB ILE 92 HB ILE 92 -2.903 -10.655 -2.580 707 1HG1 ILE 92 1HG1 ILE 92 -3.259 -11.001 -5.568 708 2HG1 ILE 92 2HG1 ILE 92 -3.853 -12.111 -4.339 709 1HG2 ILE 92 1HG2 ILE 92 -1.440 -8.810 -3.162 710 2HG2 ILE 92 2HG2 ILE 92 -1.749 -9.080 -4.877 711 3HG2 ILE 92 3HG2 ILE 92 -3.054 -8.538 -3.821 712 1HD1 ILE 92 1HD1 ILE 92 -5.317 -10.367 -3.467 713 2HD1 ILE 92 2HD1 ILE 92 -4.711 -9.248 -4.688 714 3HD1 ILE 92 3HD1 ILE 92 -5.624 -10.676 -5.177 715 H GLY 93 H GLY 93 0.793 -10.100 -4.054 716 1HA GLY 93 1HA GLY 93 2.130 -10.748 -1.610 717 2HA GLY 93 2HA GLY 93 2.640 -9.551 -2.792 718 H LEU 94 H LEU 94 2.115 -9.755 0.285 719 HA LEU 94 HA LEU 94 1.131 -7.008 0.485 720 1HB LEU 94 1HB LEU 94 -0.824 -8.429 0.912 721 2HB LEU 94 2HB LEU 94 0.068 -9.301 2.144 722 HG LEU 94 HG LEU 94 0.207 -7.225 3.486 723 1HD1 LEU 94 1HD1 LEU 94 -1.184 -5.311 2.886 724 2HD1 LEU 94 2HD1 LEU 94 0.069 -5.603 1.679 725 3HD1 LEU 94 3HD1 LEU 94 -1.596 -6.087 1.356 726 1HD2 LEU 94 1HD2 LEU 94 -1.574 -8.827 3.906 727 2HD2 LEU 94 2HD2 LEU 94 -2.146 -7.179 4.161 728 3HD2 LEU 94 3HD2 LEU 94 -2.582 -8.046 2.688 729 H GLU 95 H GLU 95 3.046 -6.179 1.114 730 HA GLU 95 HA GLU 95 4.541 -7.529 3.248 731 1HB GLU 95 1HB GLU 95 5.394 -5.254 1.448 732 2HB GLU 95 2HB GLU 95 6.421 -6.118 2.584 733 1HG GLU 95 1HG GLU 95 5.108 -7.294 0.144 734 2HG GLU 95 2HG GLU 95 6.805 -6.840 0.295 735 H ALA 96 H ALA 96 4.186 -6.821 5.264 736 HA ALA 96 HA ALA 96 3.186 -4.120 5.698 737 1HB ALA 96 1HB ALA 96 3.723 -6.312 7.703 738 2HB ALA 96 2HB ALA 96 2.890 -4.789 8.016 739 3HB ALA 96 3HB ALA 96 2.169 -5.982 6.937 740 H MET 97 H MET 97 4.674 -2.589 5.614 741 HA MET 97 HA MET 97 7.189 -2.966 7.098 742 1HB MET 97 1HB MET 97 6.943 -1.699 4.355 743 2HB MET 97 2HB MET 97 8.422 -1.859 5.290 744 1HG MET 97 1HG MET 97 8.283 -4.287 5.115 745 2HG MET 97 2HG MET 97 6.786 -4.139 4.200 746 1HE MET 97 1HE MET 97 10.103 -1.994 4.000 747 2HE MET 97 2HE MET 97 10.938 -2.818 2.684 748 3HE MET 97 3HE MET 97 10.658 -3.655 4.210 749 H THR 98 H THR 98 8.344 -0.587 6.903 750 HA THR 98 HA THR 98 6.376 1.297 7.960 751 HB THR 98 HB THR 98 8.477 2.656 8.488 752 HG1 THR 98 HG1 THR 98 10.419 1.671 8.244 753 1HG2 THR 98 1HG2 THR 98 7.265 1.361 10.180 754 2HG2 THR 98 2HG2 THR 98 8.183 -0.078 9.740 755 3HG2 THR 98 3HG2 THR 98 9.004 1.305 10.462 756 H ASN 99 H ASN 99 6.584 3.616 7.267 757 HA ASN 99 HA ASN 99 6.107 3.784 4.512 758 1HB ASN 99 1HB ASN 99 6.611 5.912 6.581 759 2HB ASN 99 2HB ASN 99 6.303 6.313 4.896 760 1HD2 ASN 99 2HD2 ASN 99 4.688 7.098 7.071 761 2HD2 ASN 99 1HD2 ASN 99 3.139 6.344 6.883 762 H ALA 100 H ALA 100 9.007 4.637 6.367 763 HA ALA 100 HA ALA 100 10.396 5.779 4.168 764 1HB ALA 100 1HB ALA 100 11.521 4.594 6.702 765 2HB ALA 100 2HB ALA 100 12.370 5.661 5.583 766 3HB ALA 100 3HB ALA 100 10.984 6.261 6.493 767 H ALA 101 H ALA 101 9.904 2.520 5.211 768 HA ALA 101 HA ALA 101 12.151 1.493 3.681 769 1HB ALA 101 1HB ALA 101 11.628 0.509 5.855 770 2HB ALA 101 2HB ALA 101 10.040 0.031 5.257 771 3HB ALA 101 3HB ALA 101 11.495 -0.681 4.561 772 H ALA 102 H ALA 102 8.620 1.518 3.552 773 HA ALA 102 HA ALA 102 8.361 -0.279 1.382 774 1HB ALA 102 1HB ALA 102 6.069 0.505 1.234 775 2HB ALA 102 2HB ALA 102 6.523 0.250 2.918 776 3HB ALA 102 3HB ALA 102 6.453 1.885 2.261 777 H ALA 103 H ALA 103 8.725 3.218 1.567 778 HA ALA 103 HA ALA 103 8.137 3.853 -1.097 779 1HB ALA 103 1HB ALA 103 9.362 5.925 -0.702 780 2HB ALA 103 2HB ALA 103 8.323 5.534 0.668 781 3HB ALA 103 3HB ALA 103 10.059 5.241 0.768 782 H ARG 104 H ARG 104 10.992 2.502 0.361 783 HA ARG 104 HA ARG 104 12.798 3.098 -1.754 784 1HB ARG 104 1HB ARG 104 12.910 0.948 0.369 785 2HB ARG 104 2HB ARG 104 14.240 1.377 -0.699 786 1HG ARG 104 1HG ARG 104 12.942 3.214 1.303 787 2HG ARG 104 2HG ARG 104 14.489 2.389 1.505 788 1HD ARG 104 1HD ARG 104 15.442 3.604 -0.334 789 2HD ARG 104 2HD ARG 104 13.879 4.320 -0.724 790 HE ARG 104 HE ARG 104 14.639 4.941 1.937 791 1HH1 ARG 104 1HH1 ARG 104 15.369 5.731 -1.381 792 2HH1 ARG 104 2HH1 ARG 104 15.859 7.360 -1.039 793 1HH2 ARG 104 1HH2 ARG 104 15.268 7.092 2.422 794 2HH2 ARG 104 2HH2 ARG 104 15.777 8.145 1.129 795 H THR 105 H THR 105 10.835 0.262 -0.945 796 HA THR 105 HA THR 105 11.721 -1.281 -3.170 797 HB THR 105 HB THR 105 9.161 -1.620 -1.591 798 HG1 THR 105 HG1 THR 105 11.851 -2.145 -0.977 799 1HG2 THR 105 1HG2 THR 105 9.294 -2.966 -3.638 800 2HG2 THR 105 2HG2 THR 105 10.854 -3.606 -3.118 801 3HG2 THR 105 3HG2 THR 105 9.397 -3.981 -2.199 802 H TYR 106 H TYR 106 9.162 1.029 -2.604 803 HA TYR 106 HA TYR 106 7.522 0.526 -4.803 804 1HB TYR 106 1HB TYR 106 6.804 2.035 -3.058 805 2HB TYR 106 2HB TYR 106 8.141 3.131 -3.394 806 HD1 TYR 106 HD1 TYR 106 7.917 4.846 -4.984 807 HD2 TYR 106 HD2 TYR 106 5.012 1.738 -4.844 808 HE1 TYR 106 HE1 TYR 106 6.514 6.093 -6.568 809 HE2 TYR 106 HE2 TYR 106 3.602 2.981 -6.432 810 HH TYR 106 HH TYR 106 3.288 5.343 -7.168 811 H ASN 107 H ASN 107 10.380 2.627 -4.543 812 HA ASN 107 HA ASN 107 10.275 3.709 -7.119 813 1HB ASN 107 1HB ASN 107 11.739 4.694 -5.498 814 2HB ASN 107 2HB ASN 107 12.626 3.188 -5.294 815 1HD2 ASN 107 2HD2 ASN 107 14.340 2.795 -6.558 816 2HD2 ASN 107 1HD2 ASN 107 14.848 3.801 -7.869 817 H VAL 108 H VAL 108 11.677 0.696 -5.961 818 HA VAL 108 HA VAL 108 12.956 -0.015 -8.392 819 HB VAL 108 HB VAL 108 11.970 -1.846 -6.194 820 1HG1 VAL 108 1HG1 VAL 108 14.066 -2.283 -8.321 821 2HG1 VAL 108 2HG1 VAL 108 13.660 -3.407 -7.024 822 3HG1 VAL 108 3HG1 VAL 108 12.470 -3.033 -8.270 823 1HG2 VAL 108 1HG2 VAL 108 14.652 -0.515 -6.560 824 2HG2 VAL 108 2HG2 VAL 108 13.464 -0.146 -5.309 825 3HG2 VAL 108 3HG2 VAL 108 14.265 -1.717 -5.330 826 H LEU 109 H LEU 109 9.837 -0.931 -6.951 827 HA LEU 109 HA LEU 109 9.084 -2.663 -9.060 828 1HB LEU 109 1HB LEU 109 7.358 -1.248 -7.029 829 2HB LEU 109 2HB LEU 109 6.842 -2.579 -8.047 830 HG LEU 109 HG LEU 109 8.970 -2.710 -5.909 831 1HD1 LEU 109 1HD1 LEU 109 6.715 -2.548 -5.005 832 2HD1 LEU 109 2HD1 LEU 109 6.201 -3.892 -6.025 833 3HD1 LEU 109 3HD1 LEU 109 7.387 -4.158 -4.749 834 1HD2 LEU 109 1HD2 LEU 109 9.495 -4.188 -7.764 835 2HD2 LEU 109 2HD2 LEU 109 8.975 -5.116 -6.358 836 3HD2 LEU 109 3HD2 LEU 109 7.868 -4.862 -7.707 837 H ALA 110 H ALA 110 8.548 0.763 -8.462 838 HA ALA 110 HA ALA 110 6.692 1.218 -10.540 839 1HB ALA 110 1HB ALA 110 7.291 3.574 -10.316 840 2HB ALA 110 2HB ALA 110 7.078 2.824 -8.734 841 3HB ALA 110 3HB ALA 110 8.700 3.132 -9.353 842 H SER 111 H SER 111 10.221 1.233 -10.446 843 HA SER 111 HA SER 111 10.540 2.104 -13.143 844 1HB SER 111 1HB SER 111 12.487 0.636 -11.346 845 2HB SER 111 2HB SER 111 12.895 1.488 -12.837 846 HG SER 111 HG SER 111 12.171 2.509 -10.327 847 H GLU 112 H GLU 112 10.189 -0.998 -11.567 848 HA GLU 112 HA GLU 112 10.873 -2.616 -13.785 849 1HB GLU 112 1HB GLU 112 9.337 -3.045 -11.245 850 2HB GLU 112 2HB GLU 112 9.417 -4.302 -12.467 851 1HG GLU 112 1HG GLU 112 11.828 -3.019 -11.219 852 2HG GLU 112 2HG GLU 112 11.094 -4.521 -10.651 853 H GLY 113 H GLY 113 8.004 -0.901 -12.854 854 1HA GLY 113 1HA GLY 113 6.122 -0.445 -14.127 855 2HA GLY 113 2HA GLY 113 6.758 -1.495 -15.389 856 H ARG 114 H ARG 114 6.420 -2.495 -12.070 857 HA ARG 114 HA ARG 114 4.419 -4.465 -12.923 858 1HB ARG 114 1HB ARG 114 6.614 -5.160 -11.794 859 2HB ARG 114 2HB ARG 114 5.954 -4.467 -10.320 860 1HG ARG 114 1HG ARG 114 4.357 -6.106 -10.101 861 2HG ARG 114 2HG ARG 114 4.362 -6.489 -11.824 862 1HD ARG 114 1HD ARG 114 5.425 -8.312 -10.817 863 2HD ARG 114 2HD ARG 114 6.739 -7.332 -11.458 864 HE ARG 114 HE ARG 114 5.968 -7.149 -8.624 865 1HH1 ARG 114 1HH1 ARG 114 8.390 -7.666 -11.103 866 2HH1 ARG 114 2HH1 ARG 114 9.674 -7.951 -9.968 867 1HH2 ARG 114 1HH2 ARG 114 7.651 -7.572 -7.119 868 2HH2 ARG 114 2HH2 ARG 114 9.254 -7.927 -7.711 869 H ARG 115 H ARG 115 2.449 -4.664 -11.817 870 HA ARG 115 HA ARG 115 1.474 -2.124 -10.959 871 1HB ARG 115 1HB ARG 115 0.165 -3.756 -12.331 872 2HB ARG 115 2HB ARG 115 0.018 -4.766 -10.901 873 1HG ARG 115 1HG ARG 115 -1.974 -3.374 -11.363 874 2HG ARG 115 2HG ARG 115 -1.267 -3.103 -9.770 875 1HD ARG 115 1HD ARG 115 -1.944 -1.012 -10.899 876 2HD ARG 115 2HD ARG 115 -0.226 -1.067 -10.522 877 HE ARG 115 HE ARG 115 -0.046 -1.822 -12.994 878 1HH1 ARG 115 1HH1 ARG 115 -2.450 0.427 -11.778 879 2HH1 ARG 115 2HH1 ARG 115 -2.469 1.394 -13.219 880 1HH2 ARG 115 1HH2 ARG 115 -0.081 -0.554 -14.899 881 2HH2 ARG 115 2HH2 ARG 115 -1.133 0.830 -14.997 882 H VAL 116 H VAL 116 2.435 -1.547 -9.100 883 HA VAL 116 HA VAL 116 1.916 -3.199 -6.731 884 HB VAL 116 HB VAL 116 4.282 -2.756 -7.049 885 1HG1 VAL 116 1HG1 VAL 116 4.133 -0.739 -8.403 886 2HG1 VAL 116 2HG1 VAL 116 3.563 0.173 -7.006 887 3HG1 VAL 116 3HG1 VAL 116 5.199 -0.486 -7.022 888 1HG2 VAL 116 1HG2 VAL 116 4.812 -1.686 -4.908 889 2HG2 VAL 116 2HG2 VAL 116 3.154 -1.092 -4.799 890 3HG2 VAL 116 3HG2 VAL 116 3.476 -2.826 -4.755 891 H ALA 117 H ALA 117 0.721 -2.412 -5.086 892 HA ALA 117 HA ALA 117 -0.297 0.341 -5.353 893 1HB ALA 117 1HB ALA 117 -2.039 -1.382 -5.456 894 2HB ALA 117 2HB ALA 117 -1.524 -1.995 -3.884 895 3HB ALA 117 3HB ALA 117 -2.211 -0.375 -4.018 896 H LEU 118 H LEU 118 0.837 1.668 -4.087 897 HA LEU 118 HA LEU 118 2.053 0.669 -1.648 898 1HB LEU 118 1HB LEU 118 3.346 2.151 -3.104 899 2HB LEU 118 2HB LEU 118 2.131 3.402 -2.936 900 HG LEU 118 HG LEU 118 2.650 3.545 -0.515 901 1HD1 LEU 118 1HD1 LEU 118 3.500 1.295 -0.168 902 2HD1 LEU 118 2HD1 LEU 118 4.881 1.639 -1.210 903 3HD1 LEU 118 3HD1 LEU 118 4.697 2.495 0.321 904 1HD2 LEU 118 1HD2 LEU 118 4.810 4.666 -0.788 905 2HD2 LEU 118 2HD2 LEU 118 4.987 3.926 -2.380 906 3HD2 LEU 118 3HD2 LEU 118 3.686 5.080 -2.082 907 H ALA 119 H ALA 119 0.665 0.428 -0.020 908 HA ALA 119 HA ALA 119 -1.417 2.395 0.468 909 1HB ALA 119 1HB ALA 119 -1.925 0.020 0.794 910 2HB ALA 119 2HB ALA 119 -0.668 -0.080 2.027 911 3HB ALA 119 3HB ALA 119 -2.093 0.923 2.299 912 H MET 120 H MET 120 -0.318 4.229 0.990 913 HA MET 120 HA MET 120 1.844 4.153 2.929 914 1HB MET 120 1HB MET 120 1.725 5.564 0.763 915 2HB MET 120 2HB MET 120 0.658 6.618 1.675 916 1HG MET 120 1HG MET 120 2.764 7.595 1.853 917 2HG MET 120 2HG MET 120 2.522 6.767 3.391 918 1HE MET 120 1HE MET 120 5.303 7.822 1.896 919 2HE MET 120 2HE MET 120 6.412 6.554 2.421 920 3HE MET 120 3HE MET 120 5.263 7.252 3.564 921 H ILE 121 H ILE 121 0.941 3.753 4.937 922 HA ILE 121 HA ILE 121 -1.381 5.263 5.805 923 HB ILE 121 HB ILE 121 0.327 3.356 7.418 924 1HG1 ILE 121 1HG1 ILE 121 -2.272 2.842 5.947 925 2HG1 ILE 121 2HG1 ILE 121 -0.688 2.236 5.468 926 1HG2 ILE 121 1HG2 ILE 121 -0.980 4.900 8.780 927 2HG2 ILE 121 2HG2 ILE 121 -2.445 4.443 7.911 928 3HG2 ILE 121 3HG2 ILE 121 -1.608 3.257 8.914 929 1HD1 ILE 121 1HD1 ILE 121 -2.145 1.543 8.009 930 2HD1 ILE 121 2HD1 ILE 121 -2.000 0.520 6.579 931 3HD1 ILE 121 3HD1 ILE 121 -0.566 0.929 7.520 932 H VAL 122 H VAL 122 -0.927 7.346 6.136 933 HA VAL 122 HA VAL 122 1.339 8.011 7.893 934 HB VAL 122 HB VAL 122 -0.200 9.844 6.040 935 1HG1 VAL 122 1HG1 VAL 122 1.601 11.444 6.489 936 2HG1 VAL 122 2HG1 VAL 122 0.737 11.008 7.963 937 3HG1 VAL 122 3HG1 VAL 122 2.320 10.308 7.631 938 1HG2 VAL 122 1HG2 VAL 122 2.540 8.626 5.711 939 2HG2 VAL 122 2HG2 VAL 122 1.100 8.214 4.779 940 3HG2 VAL 122 3HG2 VAL 122 1.811 9.823 4.641 941 H GLY 123 H GLY 123 0.912 8.760 9.882 942 1HA GLY 123 1HA GLY 123 -0.343 10.222 11.347 943 2HA GLY 123 2HA GLY 123 -1.784 9.832 10.418 944 H GLY 124 H GLY 124 -3.135 8.780 11.743 945 1HA GLY 124 1HA GLY 124 -2.949 6.200 12.485 946 2HA GLY 124 2HA GLY 124 -2.118 7.016 13.800 947 H LEU 125 H LEU 125 -3.434 8.977 14.660 948 HA LEU 125 HA LEU 125 -5.940 7.842 15.558 949 1HB LEU 125 1HB LEU 125 -4.246 8.958 17.062 950 2HB LEU 125 2HB LEU 125 -4.690 10.482 16.321 951 HG LEU 125 HG LEU 125 -7.057 10.052 17.111 952 1HD1 LEU 125 1HD1 LEU 125 -7.338 8.479 18.959 953 2HD1 LEU 125 2HD1 LEU 125 -6.866 7.652 17.473 954 3HD1 LEU 125 3HD1 LEU 125 -5.675 7.927 18.744 955 1HD2 LEU 125 1HD2 LEU 125 -4.892 10.330 19.191 956 2HD2 LEU 125 2HD2 LEU 125 -5.577 11.634 18.220 957 3HD2 LEU 125 3HD2 LEU 125 -6.584 10.786 19.394 958 H GLU 126 H GLU 126 -7.925 9.113 15.618 959 HA GLU 126 HA GLU 126 -8.740 10.181 13.191 960 1HB GLU 126 1HB GLU 126 -9.897 10.930 15.882 961 2HB GLU 126 2HB GLU 126 -10.709 11.012 14.327 962 1HG GLU 126 1HG GLU 126 -11.598 9.108 15.252 963 2HG GLU 126 2HG GLU 126 -10.300 8.462 14.249 964 H HIS 127 H HIS 127 -9.095 12.278 12.454 965 HA HIS 127 HA HIS 127 -7.212 14.234 13.519 966 1HB HIS 127 1HB HIS 127 -8.893 14.396 11.005 967 2HB HIS 127 2HB HIS 127 -7.548 15.443 11.439 968 HD1 HIS 127 HD1 HIS 127 -8.327 12.535 9.489 969 HD2 HIS 127 HD2 HIS 127 -5.003 13.884 11.583 970 HE1 HIS 127 HE1 HIS 127 -6.390 11.209 8.597 971 HE2 HIS 127 HE2 HIS 127 -4.368 12.200 9.718 972 H HIS 128 H HIS 128 -7.865 16.386 14.027 973 HA HIS 128 HA HIS 128 -10.494 16.532 15.200 974 1HB HIS 128 1HB HIS 128 -8.523 18.810 14.944 975 2HB HIS 128 2HB HIS 128 -9.821 18.636 16.118 976 HD1 HIS 128 HD1 HIS 128 -6.337 18.520 16.002 977 HD2 HIS 128 HD2 HIS 128 -9.207 16.037 17.714 978 HE1 HIS 128 HE1 HIS 128 -5.127 17.194 17.768 979 HE2 HIS 128 HE2 HIS 128 -6.836 15.573 18.657 980 H HIS 129 H HIS 129 -11.716 16.265 13.299 981 HA HIS 129 HA HIS 129 -12.940 16.869 11.501 982 1HB HIS 129 1HB HIS 129 -12.039 19.662 12.224 983 2HB HIS 129 2HB HIS 129 -13.226 19.298 10.975 984 HD1 HIS 129 HD1 HIS 129 -15.585 18.629 11.735 985 HD2 HIS 129 HD2 HIS 129 -12.929 19.285 14.870 986 HE1 HIS 129 HE1 HIS 129 -16.998 18.733 13.818 987 HE2 HIS 129 HE2 HIS 129 -15.383 19.285 15.673 988 H HIS 130 H HIS 130 -10.235 19.184 11.214 989 HA HIS 130 HA HIS 130 -9.232 17.598 8.963 990 1HB HIS 130 1HB HIS 130 -9.684 20.587 8.884 991 2HB HIS 130 2HB HIS 130 -8.752 19.692 7.691 992 HD1 HIS 130 HD1 HIS 130 -12.168 20.696 8.570 993 HD2 HIS 130 HD2 HIS 130 -10.351 17.875 6.107 994 HE1 HIS 130 HE1 HIS 130 -13.957 19.926 6.979 995 HE2 HIS 130 HE2 HIS 130 -12.791 18.361 5.386 996 H HIS 131 H HIS 131 -8.163 20.807 9.941 997 HA HIS 131 HA HIS 131 -6.240 19.936 11.835 998 1HB HIS 131 1HB HIS 131 -5.263 19.160 9.573 999 2HB HIS 131 2HB HIS 131 -4.983 20.869 9.257 1000 HD1 HIS 131 HD1 HIS 131 -2.823 21.796 10.098 1001 HD2 HIS 131 HD2 HIS 131 -3.877 18.257 12.023 1002 HE1 HIS 131 HE1 HIS 131 -0.869 21.211 11.575 1003 HE2 HIS 131 HE2 HIS 131 -1.569 19.131 12.815 1004 H HIS 132 H HIS 132 -8.267 22.104 10.925 1005 HA HIS 132 HA HIS 132 -6.612 24.467 11.403 1006 1HB HIS 132 1HB HIS 132 -9.456 24.117 10.476 1007 2HB HIS 132 2HB HIS 132 -8.872 25.669 11.064 1008 HD1 HIS 132 HD1 HIS 132 -5.960 25.016 9.584 1009 HD2 HIS 132 HD2 HIS 132 -9.760 25.318 7.923 1010 HE1 HIS 132 HE1 HIS 132 -5.598 25.542 7.153 1011 HE2 HIS 132 HE2 HIS 132 -7.904 25.514 6.132 Start of MODEL 10 1 1H MET 1 1HT MET 1 12.644 37.255 -15.735 2 2H MET 1 2HT MET 1 13.499 36.872 -14.322 3 3H MET 1 3HT MET 1 13.048 38.478 -14.628 4 HA MET 1 HA MET 1 10.695 37.797 -14.517 5 1HB MET 1 1HB MET 1 11.920 35.238 -13.457 6 2HB MET 1 2HB MET 1 10.209 35.633 -13.434 7 1HG MET 1 1HG MET 1 10.166 35.643 -15.868 8 2HG MET 1 2HG MET 1 11.890 35.275 -15.902 9 1HE MET 1 1HE MET 1 9.756 33.566 -17.492 10 2HE MET 1 2HE MET 1 10.291 31.924 -17.132 11 3HE MET 1 3HE MET 1 11.477 33.184 -17.474 12 HA PRO 2 HA PRO 2 11.355 39.605 -10.507 13 1HB PRO 2 1HB PRO 2 8.768 39.726 -9.683 14 2HB PRO 2 2HB PRO 2 9.451 40.835 -10.878 15 1HG PRO 2 1HG PRO 2 7.786 38.385 -11.305 16 2HG PRO 2 2HG PRO 2 7.681 39.964 -12.105 17 1HD PRO 2 1HD PRO 2 8.881 37.828 -13.253 18 2HD PRO 2 2HD PRO 2 9.425 39.493 -13.538 19 H LEU 3 H LEU 3 9.677 36.628 -11.020 20 HA LEU 3 HA LEU 3 10.472 35.726 -8.337 21 1HB LEU 3 1HB LEU 3 7.987 34.996 -9.900 22 2HB LEU 3 2HB LEU 3 8.522 34.144 -8.464 23 HG LEU 3 HG LEU 3 7.778 37.069 -8.520 24 1HD1 LEU 3 1HD1 LEU 3 6.181 34.694 -7.573 25 2HD1 LEU 3 2HD1 LEU 3 5.717 36.388 -7.417 26 3HD1 LEU 3 3HD1 LEU 3 5.847 35.653 -9.015 27 1HD2 LEU 3 1HD2 LEU 3 9.356 36.441 -6.750 28 2HD2 LEU 3 2HD2 LEU 3 7.773 36.862 -6.095 29 3HD2 LEU 3 3HD2 LEU 3 8.251 35.170 -6.223 30 H ASN 4 H ASN 4 10.280 33.114 -8.480 31 HA ASN 4 HA ASN 4 12.082 32.338 -10.616 32 1HB ASN 4 1HB ASN 4 10.911 30.799 -8.290 33 2HB ASN 4 2HB ASN 4 11.999 30.090 -9.478 34 1HD2 ASN 4 2HD2 ASN 4 14.153 30.722 -9.523 35 2HD2 ASN 4 1HD2 ASN 4 14.895 31.548 -8.188 36 H GLN 5 H GLN 5 11.447 29.885 -11.379 37 HA GLN 5 HA GLN 5 9.266 30.280 -13.133 38 1HB GLN 5 1HB GLN 5 10.808 27.777 -12.455 39 2HB GLN 5 2HB GLN 5 9.602 27.878 -13.732 40 1HG GLN 5 1HG GLN 5 10.984 29.747 -14.715 41 2HG GLN 5 2HG GLN 5 12.242 29.295 -13.566 42 1HE2 GLN 5 2HE2 GLN 5 10.077 27.009 -15.075 43 2HE2 GLN 5 1HE2 GLN 5 11.275 26.228 -16.055 44 H GLU 6 H GLU 6 7.231 30.149 -12.717 45 HA GLU 6 HA GLU 6 6.281 29.044 -10.225 46 1HB GLU 6 1HB GLU 6 5.546 31.257 -11.105 47 2HB GLU 6 2HB GLU 6 4.784 30.439 -12.458 48 1HG GLU 6 1HG GLU 6 3.165 31.082 -10.764 49 2HG GLU 6 2HG GLU 6 3.245 29.330 -10.950 50 H HIS 7 H HIS 7 4.184 27.814 -10.283 51 HA HIS 7 HA HIS 7 2.716 26.247 -11.021 52 1HB HIS 7 1HB HIS 7 2.825 27.159 -13.297 53 2HB HIS 7 2HB HIS 7 4.276 26.214 -13.611 54 HD1 HIS 7 HD1 HIS 7 3.964 23.615 -13.886 55 HD2 HIS 7 HD2 HIS 7 0.435 25.785 -13.508 56 HE1 HIS 7 HE1 HIS 7 2.132 22.071 -14.649 57 HE2 HIS 7 HE2 HIS 7 0.053 23.497 -14.642 58 HA PRO 8 HA PRO 8 5.553 22.897 -9.766 59 1HB PRO 8 1HB PRO 8 3.843 22.019 -7.826 60 2HB PRO 8 2HB PRO 8 5.107 23.218 -7.533 61 1HG PRO 8 1HG PRO 8 2.182 23.619 -7.988 62 2HG PRO 8 2HG PRO 8 3.269 24.448 -6.857 63 1HD PRO 8 1HD PRO 8 2.475 25.538 -9.218 64 2HD PRO 8 2HD PRO 8 4.044 25.892 -8.469 65 H ASP 9 H ASP 9 5.328 21.362 -11.265 66 HA ASP 9 HA ASP 9 2.989 20.772 -12.647 67 1HB ASP 9 1HB ASP 9 5.657 19.486 -12.413 68 2HB ASP 9 2HB ASP 9 4.355 18.546 -13.139 69 H TYR 10 H TYR 10 1.608 19.011 -12.675 70 HA TYR 10 HA TYR 10 0.888 18.234 -9.975 71 1HB TYR 10 1HB TYR 10 -0.568 17.829 -12.595 72 2HB TYR 10 2HB TYR 10 -1.229 17.505 -10.996 73 HD1 TYR 10 HD1 TYR 10 -0.367 20.083 -13.430 74 HD2 TYR 10 HD2 TYR 10 -1.824 19.356 -9.499 75 HE1 TYR 10 HE1 TYR 10 -1.167 22.404 -13.305 76 HE2 TYR 10 HE2 TYR 10 -2.628 21.677 -9.363 77 HH TYR 10 HH TYR 10 -2.717 23.760 -12.131 78 H THR 11 H THR 11 2.921 16.911 -12.103 79 HA THR 11 HA THR 11 2.165 14.180 -12.087 80 HB THR 11 HB THR 11 4.930 15.396 -12.322 81 HG1 THR 11 HG1 THR 11 4.377 15.819 -14.327 82 1HG2 THR 11 1HG2 THR 11 5.534 13.281 -13.417 83 2HG2 THR 11 2HG2 THR 11 5.016 13.015 -11.750 84 3HG2 THR 11 3HG2 THR 11 3.921 12.649 -13.084 85 H TYR 12 H TYR 12 2.239 12.748 -10.479 86 HA TYR 12 HA TYR 12 2.720 13.564 -7.842 87 1HB TYR 12 1HB TYR 12 2.440 10.777 -8.980 88 2HB TYR 12 2HB TYR 12 2.387 11.173 -7.265 89 HD1 TYR 12 HD1 TYR 12 0.475 10.832 -10.258 90 HD2 TYR 12 HD2 TYR 12 0.579 12.826 -6.502 91 HE1 TYR 12 HE1 TYR 12 -1.939 11.277 -10.433 92 HE2 TYR 12 HE2 TYR 12 -1.830 13.275 -6.666 93 HH TYR 12 HH TYR 12 -3.838 11.773 -8.983 94 H ALA 13 H ALA 13 4.598 14.037 -7.012 95 HA ALA 13 HA ALA 13 6.878 12.240 -7.529 96 1HB ALA 13 1HB ALA 13 7.220 14.395 -8.634 97 2HB ALA 13 2HB ALA 13 6.974 15.227 -7.099 98 3HB ALA 13 3HB ALA 13 8.367 14.168 -7.316 99 H LEU 14 H LEU 14 7.013 11.049 -5.741 100 HA LEU 14 HA LEU 14 6.579 12.259 -3.125 101 1HB LEU 14 1HB LEU 14 5.541 10.086 -3.615 102 2HB LEU 14 2HB LEU 14 7.121 9.393 -3.918 103 HG LEU 14 HG LEU 14 7.724 9.818 -1.546 104 1HD1 LEU 14 1HD1 LEU 14 6.193 11.673 -1.122 105 2HD1 LEU 14 2HD1 LEU 14 4.818 10.580 -1.279 106 3HD1 LEU 14 3HD1 LEU 14 5.964 10.372 0.046 107 1HD2 LEU 14 1HD2 LEU 14 5.243 8.163 -1.997 108 2HD2 LEU 14 2HD2 LEU 14 6.908 7.636 -2.243 109 3HD2 LEU 14 3HD2 LEU 14 6.335 8.022 -0.619 110 H ARG 15 H ARG 15 8.278 13.272 -2.278 111 HA ARG 15 HA ARG 15 10.934 12.054 -2.648 112 1HB ARG 15 1HB ARG 15 10.730 14.277 -3.703 113 2HB ARG 15 2HB ARG 15 10.293 14.966 -2.145 114 1HG ARG 15 1HG ARG 15 12.496 14.251 -1.262 115 2HG ARG 15 2HG ARG 15 12.924 13.702 -2.883 116 1HD ARG 15 1HD ARG 15 12.174 16.527 -2.140 117 2HD ARG 15 2HD ARG 15 13.819 15.939 -2.364 118 HE ARG 15 HE ARG 15 12.269 15.406 -4.676 119 1HH1 ARG 15 1HH1 ARG 15 13.867 18.015 -2.956 120 2HH1 ARG 15 2HH1 ARG 15 14.065 18.995 -4.377 121 1HH2 ARG 15 1HH2 ARG 15 12.567 16.685 -6.552 122 2HH2 ARG 15 2HH2 ARG 15 13.333 18.241 -6.418 123 H ALA 16 H ALA 16 9.047 14.044 -0.367 124 HA ALA 16 HA ALA 16 10.837 13.339 1.792 125 1HB ALA 16 1HB ALA 16 9.936 15.613 1.640 126 2HB ALA 16 2HB ALA 16 8.306 14.976 1.849 127 3HB ALA 16 3HB ALA 16 9.481 14.831 3.153 128 H ALA 17 H ALA 17 10.662 11.384 2.615 129 HA ALA 17 HA ALA 17 7.962 10.335 3.169 130 1HB ALA 17 1HB ALA 17 9.096 9.025 1.454 131 2HB ALA 17 2HB ALA 17 10.465 8.772 2.537 132 3HB ALA 17 3HB ALA 17 8.889 8.083 2.931 133 H ASP 18 H ASP 18 7.582 10.649 5.243 134 HA ASP 18 HA ASP 18 9.647 9.843 7.188 135 1HB ASP 18 1HB ASP 18 9.289 12.302 7.175 136 2HB ASP 18 2HB ASP 18 7.579 12.045 7.489 137 H GLY 19 H GLY 19 8.752 8.941 9.199 138 1HA GLY 19 1HA GLY 19 6.668 7.084 8.704 139 2HA GLY 19 2HA GLY 19 7.386 7.428 10.270 140 H ARG 20 H ARG 20 6.654 10.339 9.822 141 HA ARG 20 HA ARG 20 3.872 10.078 10.772 142 1HB ARG 20 1HB ARG 20 5.841 12.306 11.308 143 2HB ARG 20 2HB ARG 20 4.265 12.090 12.056 144 1HG ARG 20 1HG ARG 20 5.003 10.480 13.474 145 2HG ARG 20 2HG ARG 20 6.227 9.889 12.345 146 1HD ARG 20 1HD ARG 20 6.358 12.472 13.899 147 2HD ARG 20 2HD ARG 20 7.242 10.993 14.281 148 HE ARG 20 HE ARG 20 7.902 11.580 11.669 149 1HH1 ARG 20 1HH1 ARG 20 8.135 13.277 14.730 150 2HH1 ARG 20 2HH1 ARG 20 9.563 14.156 14.282 151 1HH2 ARG 20 1HH2 ARG 20 9.803 12.689 11.090 152 2HH2 ARG 20 2HH2 ARG 20 10.527 13.800 12.219 153 H HIS 21 H HIS 21 5.741 11.236 8.186 154 HA HIS 21 HA HIS 21 3.513 12.924 7.292 155 1HB HIS 21 1HB HIS 21 6.359 13.858 6.958 156 2HB HIS 21 2HB HIS 21 4.883 14.761 6.666 157 HD1 HIS 21 HD1 HIS 21 3.424 14.635 9.290 158 HD2 HIS 21 HD2 HIS 21 7.556 15.011 9.041 159 HE1 HIS 21 HE1 HIS 21 4.141 15.664 11.462 160 HE2 HIS 21 HE2 HIS 21 6.614 16.064 11.203 161 H ALA 22 H ALA 22 3.002 12.563 5.205 162 HA ALA 22 HA ALA 22 5.133 11.571 3.423 163 1HB ALA 22 1HB ALA 22 3.434 10.349 2.158 164 2HB ALA 22 2HB ALA 22 3.470 9.816 3.839 165 3HB ALA 22 3HB ALA 22 2.191 10.896 3.283 166 H LYS 23 H LYS 23 5.659 13.087 1.967 167 HA LYS 23 HA LYS 23 3.669 15.180 1.406 168 1HB LYS 23 1HB LYS 23 5.757 15.960 2.443 169 2HB LYS 23 2HB LYS 23 6.677 15.269 1.114 170 1HG LYS 23 1HG LYS 23 5.476 16.806 -0.433 171 2HG LYS 23 2HG LYS 23 4.725 17.558 0.974 172 1HD LYS 23 1HD LYS 23 6.913 18.178 1.835 173 2HD LYS 23 2HD LYS 23 7.694 17.376 0.472 174 1HE LYS 23 1HE LYS 23 7.656 19.709 -0.003 175 2HE LYS 23 2HE LYS 23 6.457 18.942 -1.042 176 1HZ LYS 23 1HZ LYS 23 5.581 20.962 -0.100 177 2HZ LYS 23 2HZ LYS 23 4.736 19.639 0.538 178 3HZ LYS 23 3HZ LYS 23 5.911 20.424 1.475 179 H VAL 24 H VAL 24 2.590 14.705 -0.383 180 HA VAL 24 HA VAL 24 4.050 13.700 -2.721 181 HB VAL 24 HB VAL 24 1.061 14.070 -2.393 182 1HG1 VAL 24 1HG1 VAL 24 1.788 14.088 -4.713 183 2HG1 VAL 24 2HG1 VAL 24 2.675 12.583 -4.464 184 3HG1 VAL 24 3HG1 VAL 24 0.915 12.599 -4.353 185 1HG2 VAL 24 1HG2 VAL 24 0.963 11.633 -2.097 186 2HG2 VAL 24 2HG2 VAL 24 2.726 11.571 -2.094 187 3HG2 VAL 24 3HG2 VAL 24 1.873 12.417 -0.804 188 H ASN 25 H ASN 25 5.012 15.328 -3.737 189 HA ASN 25 HA ASN 25 5.388 17.256 -4.861 190 1HB ASN 25 1HB ASN 25 2.367 17.437 -4.947 191 2HB ASN 25 2HB ASN 25 3.453 18.512 -5.819 192 1HD2 ASN 25 2HD2 ASN 25 2.749 17.934 -7.835 193 2HD2 ASN 25 1HD2 ASN 25 3.055 16.379 -8.526 194 H GLU 26 H GLU 26 2.461 18.213 -3.116 195 HA GLU 26 HA GLU 26 4.087 20.091 -1.541 196 1HB GLU 26 1HB GLU 26 3.037 21.386 -3.295 197 2HB GLU 26 2HB GLU 26 1.472 20.665 -2.943 198 1HG GLU 26 1HG GLU 26 1.476 21.741 -0.746 199 2HG GLU 26 2HG GLU 26 3.035 22.477 -1.118 200 H GLN 27 H GLN 27 1.060 18.315 -1.859 201 HA GLN 27 HA GLN 27 0.059 18.991 0.711 202 1HB GLN 27 1HB GLN 27 -0.703 16.694 -1.101 203 2HB GLN 27 2HB GLN 27 -1.640 17.285 0.263 204 1HG GLN 27 1HG GLN 27 -2.009 19.394 -0.852 205 2HG GLN 27 2HG GLN 27 -0.973 18.898 -2.189 206 1HE2 GLN 27 2HE2 GLN 27 -3.244 16.775 -0.581 207 2HE2 GLN 27 1HE2 GLN 27 -4.322 16.604 -1.923 208 H ILE 28 H ILE 28 0.542 18.159 2.623 209 HA ILE 28 HA ILE 28 2.119 15.694 2.740 210 HB ILE 28 HB ILE 28 1.616 17.758 4.893 211 1HG1 ILE 28 1HG1 ILE 28 4.081 17.160 3.237 212 2HG1 ILE 28 2HG1 ILE 28 3.063 18.589 3.093 213 1HG2 ILE 28 1HG2 ILE 28 3.409 15.329 4.902 214 2HG2 ILE 28 2HG2 ILE 28 3.331 16.551 6.170 215 3HG2 ILE 28 3HG2 ILE 28 1.929 15.534 5.841 216 1HD1 ILE 28 1HD1 ILE 28 4.734 17.829 5.480 217 2HD1 ILE 28 2HD1 ILE 28 5.094 19.094 4.303 218 3HD1 ILE 28 3HD1 ILE 28 3.693 19.250 5.363 219 H LEU 29 H LEU 29 0.863 13.970 2.826 220 HA LEU 29 HA LEU 29 -1.676 14.071 4.258 221 1HB LEU 29 1HB LEU 29 -0.457 11.876 2.573 222 2HB LEU 29 2HB LEU 29 -2.071 11.856 3.258 223 HG LEU 29 HG LEU 29 -1.090 13.833 1.193 224 1HD1 LEU 29 1HD1 LEU 29 -2.571 12.640 -0.341 225 2HD1 LEU 29 2HD1 LEU 29 -1.295 11.589 0.272 226 3HD1 LEU 29 3HD1 LEU 29 -2.929 11.461 0.920 227 1HD2 LEU 29 1HD2 LEU 29 -2.810 14.754 2.670 228 2HD2 LEU 29 2HD2 LEU 29 -3.430 14.499 1.039 229 3HD2 LEU 29 3HD2 LEU 29 -3.846 13.369 2.329 230 H GLN 30 H GLN 30 -2.023 13.093 6.163 231 HA GLN 30 HA GLN 30 0.181 11.514 7.305 232 1HB GLN 30 1HB GLN 30 -1.478 13.608 8.726 233 2HB GLN 30 2HB GLN 30 -0.243 12.602 9.474 234 1HG GLN 30 1HG GLN 30 1.449 13.603 8.016 235 2HG GLN 30 2HG GLN 30 0.211 14.621 7.288 236 1HE2 GLN 30 2HE2 GLN 30 -0.648 16.326 8.471 237 2HE2 GLN 30 1HE2 GLN 30 0.121 16.935 9.893 238 H GLN 31 H GLN 31 -2.235 10.642 5.998 239 HA GLN 31 HA GLN 31 -3.322 9.023 8.182 240 1HB GLN 31 1HB GLN 31 -4.956 10.385 6.027 241 2HB GLN 31 2HB GLN 31 -5.580 9.137 7.097 242 1HG GLN 31 1HG GLN 31 -5.087 10.572 9.027 243 2HG GLN 31 2HG GLN 31 -4.533 11.831 7.927 244 1HE2 GLN 31 2HE2 GLN 31 -6.083 13.279 8.633 245 2HE2 GLN 31 1HE2 GLN 31 -7.758 13.117 8.244 246 H SER 32 H SER 32 -5.080 7.529 6.472 247 HA SER 32 HA SER 32 -3.042 5.965 5.083 248 1HB SER 32 1HB SER 32 -5.909 5.207 5.681 249 2HB SER 32 2HB SER 32 -4.595 4.129 5.206 250 HG SER 32 HG SER 32 -4.625 5.677 7.588 251 H PHE 33 H PHE 33 -2.830 6.129 2.943 252 HA PHE 33 HA PHE 33 -5.206 6.508 1.284 253 1HB PHE 33 1HB PHE 33 -4.164 8.281 -0.040 254 2HB PHE 33 2HB PHE 33 -4.312 8.779 1.639 255 HD1 PHE 33 HD1 PHE 33 -2.284 8.790 3.095 256 HD2 PHE 33 HD2 PHE 33 -2.068 8.157 -1.109 257 HE1 PHE 33 HE1 PHE 33 0.111 9.350 3.137 258 HE2 PHE 33 HE2 PHE 33 0.327 8.713 -1.073 259 HZ PHE 33 HZ PHE 33 1.420 9.311 1.051 260 H ILE 34 H ILE 34 -4.542 6.286 -1.138 261 HA ILE 34 HA ILE 34 -2.470 4.173 -1.289 262 HB ILE 34 HB ILE 34 -4.906 4.234 -3.063 263 1HG1 ILE 34 1HG1 ILE 34 -4.546 2.524 -0.597 264 2HG1 ILE 34 2HG1 ILE 34 -5.536 3.979 -0.635 265 1HG2 ILE 34 1HG2 ILE 34 -3.003 2.995 -3.911 266 2HG2 ILE 34 2HG2 ILE 34 -2.905 2.082 -2.405 267 3HG2 ILE 34 3HG2 ILE 34 -4.303 1.890 -3.463 268 1HD1 ILE 34 1HD1 ILE 34 -6.912 2.017 -0.873 269 2HD1 ILE 34 2HD1 ILE 34 -6.938 2.956 -2.365 270 3HD1 ILE 34 3HD1 ILE 34 -5.965 1.488 -2.265 271 H LEU 35 H LEU 35 -0.857 4.637 -2.628 272 HA LEU 35 HA LEU 35 -1.316 6.697 -4.684 273 1HB LEU 35 1HB LEU 35 0.299 7.370 -2.985 274 2HB LEU 35 2HB LEU 35 1.238 5.919 -3.273 275 HG LEU 35 HG LEU 35 1.726 6.712 -5.566 276 1HD1 LEU 35 1HD1 LEU 35 0.312 9.221 -4.676 277 2HD1 LEU 35 2HD1 LEU 35 1.226 9.026 -6.172 278 3HD1 LEU 35 3HD1 LEU 35 -0.250 8.095 -5.913 279 1HD2 LEU 35 1HD2 LEU 35 3.294 7.156 -3.757 280 2HD2 LEU 35 2HD2 LEU 35 3.279 8.486 -4.916 281 3HD2 LEU 35 3HD2 LEU 35 2.443 8.652 -3.373 282 H MET 36 H MET 36 -1.118 6.152 -6.742 283 HA MET 36 HA MET 36 0.596 3.882 -7.458 284 1HB MET 36 1HB MET 36 -2.200 4.402 -8.496 285 2HB MET 36 2HB MET 36 -1.069 3.291 -9.253 286 1HG MET 36 1HG MET 36 -0.997 2.012 -7.124 287 2HG MET 36 2HG MET 36 -2.264 3.068 -6.503 288 1HE MET 36 1HE MET 36 -3.813 0.993 -5.973 289 2HE MET 36 2HE MET 36 -2.553 -0.093 -6.559 290 3HE MET 36 3HE MET 36 -4.207 -0.264 -7.146 291 HA PRO 37 HA PRO 37 2.146 6.690 -10.538 292 1HB PRO 37 1HB PRO 37 2.787 4.984 -12.556 293 2HB PRO 37 2HB PRO 37 3.741 5.127 -11.075 294 1HG PRO 37 1HG PRO 37 1.685 3.083 -11.815 295 2HG PRO 37 2HG PRO 37 3.256 2.855 -11.024 296 1HD PRO 37 1HD PRO 37 0.924 2.879 -9.650 297 2HD PRO 37 2HD PRO 37 2.444 3.479 -8.956 298 H ASP 38 H ASP 38 -0.748 5.156 -10.806 299 HA ASP 38 HA ASP 38 -1.335 6.206 -13.486 300 1HB ASP 38 1HB ASP 38 -1.835 3.813 -13.132 301 2HB ASP 38 2HB ASP 38 -2.903 4.240 -11.800 302 H GLU 39 H GLU 39 -2.755 5.969 -10.228 303 HA GLU 39 HA GLU 39 -3.681 8.712 -10.441 304 1HB GLU 39 1HB GLU 39 -5.970 8.212 -9.850 305 2HB GLU 39 2HB GLU 39 -5.558 7.327 -11.310 306 1HG GLU 39 1HG GLU 39 -5.265 5.292 -10.027 307 2HG GLU 39 2HG GLU 39 -5.597 6.166 -8.533 308 H LEU 40 H LEU 40 -4.623 9.439 -8.315 309 HA LEU 40 HA LEU 40 -3.278 8.051 -6.087 310 1HB LEU 40 1HB LEU 40 -2.384 10.264 -6.371 311 2HB LEU 40 2HB LEU 40 -3.990 10.960 -6.464 312 HG LEU 40 HG LEU 40 -4.362 10.364 -4.087 313 1HD1 LEU 40 1HD1 LEU 40 -1.462 9.547 -4.157 314 2HD1 LEU 40 2HD1 LEU 40 -2.452 9.705 -2.707 315 3HD1 LEU 40 3HD1 LEU 40 -2.841 8.477 -3.911 316 1HD2 LEU 40 1HD2 LEU 40 -2.870 12.069 -3.150 317 2HD2 LEU 40 2HD2 LEU 40 -1.916 12.040 -4.632 318 3HD2 LEU 40 3HD2 LEU 40 -3.591 12.591 -4.673 319 H VAL 41 H VAL 41 -4.573 7.067 -4.677 320 HA VAL 41 HA VAL 41 -7.419 7.638 -4.698 321 HB VAL 41 HB VAL 41 -5.928 5.699 -2.928 322 1HG1 VAL 41 1HG1 VAL 41 -8.122 6.313 -2.076 323 2HG1 VAL 41 2HG1 VAL 41 -8.853 5.914 -3.632 324 3HG1 VAL 41 3HG1 VAL 41 -8.124 4.645 -2.645 325 1HG2 VAL 41 1HG2 VAL 41 -5.575 5.124 -5.267 326 2HG2 VAL 41 2HG2 VAL 41 -6.657 3.959 -4.503 327 3HG2 VAL 41 3HG2 VAL 41 -7.312 5.207 -5.564 328 H GLU 42 H GLU 42 -7.668 9.600 -3.873 329 HA GLU 42 HA GLU 42 -6.416 10.436 -1.402 330 1HB GLU 42 1HB GLU 42 -6.695 12.021 -3.246 331 2HB GLU 42 2HB GLU 42 -8.431 11.761 -3.233 332 1HG GLU 42 1HG GLU 42 -8.509 12.715 -0.950 333 2HG GLU 42 2HG GLU 42 -6.787 13.072 -1.083 334 H HIS 43 H HIS 43 -9.447 9.201 -2.558 335 HA HIS 43 HA HIS 43 -10.683 9.650 0.064 336 1HB HIS 43 1HB HIS 43 -11.931 8.796 -2.555 337 2HB HIS 43 2HB HIS 43 -12.807 9.007 -1.042 338 HD1 HIS 43 HD1 HIS 43 -12.368 10.700 -4.043 339 HD2 HIS 43 HD2 HIS 43 -12.107 11.879 -0.064 340 HE1 HIS 43 HE1 HIS 43 -12.670 13.200 -4.053 341 HE2 HIS 43 HE2 HIS 43 -12.331 13.906 -1.653 342 H TRP 44 H TRP 44 -9.581 8.039 1.187 343 HA TRP 44 HA TRP 44 -10.573 5.337 0.572 344 1HB TRP 44 1HB TRP 44 -8.036 5.712 0.368 345 2HB TRP 44 2HB TRP 44 -8.036 5.900 2.118 346 HD1 TRP 44 HD1 TRP 44 -10.225 3.253 0.414 347 HE1 TRP 44 HE1 TRP 44 -9.377 0.917 1.083 348 HE3 TRP 44 HE3 TRP 44 -5.948 4.616 2.863 349 HZ2 TRP 44 HZ2 TRP 44 -7.175 -0.197 2.452 350 HZ3 TRP 44 HZ3 TRP 44 -4.524 2.852 3.815 351 HH2 TRP 44 HH2 TRP 44 -5.124 0.495 3.613 352 HA PRO 45 HA PRO 45 -12.789 6.082 4.353 353 1HB PRO 45 1HB PRO 45 -13.521 3.244 4.178 354 2HB PRO 45 2HB PRO 45 -14.548 4.676 4.079 355 1HG PRO 45 1HG PRO 45 -14.048 3.155 1.930 356 2HG PRO 45 2HG PRO 45 -14.222 4.917 1.806 357 1HD PRO 45 1HD PRO 45 -11.723 3.260 1.875 358 2HD PRO 45 2HD PRO 45 -12.134 4.631 0.821 359 H VAL 46 H VAL 46 -9.956 5.297 4.606 360 HA VAL 46 HA VAL 46 -10.181 3.789 7.126 361 HB VAL 46 HB VAL 46 -7.919 3.540 5.128 362 1HG1 VAL 46 1HG1 VAL 46 -7.122 3.373 7.417 363 2HG1 VAL 46 2HG1 VAL 46 -8.354 2.162 7.775 364 3HG1 VAL 46 3HG1 VAL 46 -7.065 1.796 6.627 365 1HG2 VAL 46 1HG2 VAL 46 -8.667 1.228 4.855 366 2HG2 VAL 46 2HG2 VAL 46 -10.028 1.540 5.934 367 3HG2 VAL 46 3HG2 VAL 46 -9.925 2.372 4.383 368 HA PRO 47 HA PRO 47 -8.212 7.721 8.310 369 1HB PRO 47 1HB PRO 47 -8.916 6.778 11.002 370 2HB PRO 47 2HB PRO 47 -9.371 8.277 10.190 371 1HG PRO 47 1HG PRO 47 -11.150 6.311 10.654 372 2HG PRO 47 2HG PRO 47 -11.235 7.338 9.213 373 1HD PRO 47 1HD PRO 47 -10.190 4.546 9.493 374 2HD PRO 47 2HD PRO 47 -11.168 5.258 8.190 375 H SER 48 H SER 48 -7.958 4.656 10.098 376 HA SER 48 HA SER 48 -5.059 4.872 10.027 377 1HB SER 48 1HB SER 48 -4.901 4.335 12.459 378 2HB SER 48 2HB SER 48 -5.616 5.918 12.151 379 HG SER 48 HG SER 48 -7.140 5.183 13.416 380 H LEU 49 H LEU 49 -4.037 2.824 10.799 381 HA LEU 49 HA LEU 49 -5.094 0.619 9.410 382 1HB LEU 49 1HB LEU 49 -2.702 0.994 9.773 383 2HB LEU 49 2HB LEU 49 -2.913 0.755 11.494 384 HG LEU 49 HG LEU 49 -3.587 -1.600 11.037 385 1HD1 LEU 49 1HD1 LEU 49 -4.368 -1.336 8.755 386 2HD1 LEU 49 2HD1 LEU 49 -2.736 -0.930 8.226 387 3HD1 LEU 49 3HD1 LEU 49 -3.087 -2.546 8.838 388 1HD2 LEU 49 1HD2 LEU 49 -1.308 -1.045 11.683 389 2HD2 LEU 49 2HD2 LEU 49 -1.327 -2.388 10.539 390 3HD2 LEU 49 3HD2 LEU 49 -0.884 -0.771 9.993 391 H GLY 50 H GLY 50 -5.882 1.815 12.455 392 1HA GLY 50 1HA GLY 50 -6.146 -0.527 13.993 393 2HA GLY 50 2HA GLY 50 -6.965 0.994 14.295 394 H GLN 51 H GLN 51 -8.188 0.737 11.480 395 HA GLN 51 HA GLN 51 -10.193 -1.292 12.219 396 1HB GLN 51 1HB GLN 51 -11.957 0.163 11.343 397 2HB GLN 51 2HB GLN 51 -11.098 0.924 12.672 398 1HG GLN 51 1HG GLN 51 -9.896 2.343 11.161 399 2HG GLN 51 2HG GLN 51 -10.567 1.495 9.766 400 1HE2 GLN 51 2HE2 GLN 51 -11.202 3.754 12.329 401 2HE2 GLN 51 1HE2 GLN 51 -12.696 4.353 11.704 402 H LEU 52 H LEU 52 -7.916 -1.553 10.393 403 HA LEU 52 HA LEU 52 -8.969 -1.430 7.731 404 1HB LEU 52 1HB LEU 52 -6.542 -1.288 8.204 405 2HB LEU 52 2HB LEU 52 -6.567 -2.962 8.730 406 HG LEU 52 HG LEU 52 -7.242 -3.664 6.467 407 1HD1 LEU 52 1HD1 LEU 52 -6.925 -0.746 5.774 408 2HD1 LEU 52 2HD1 LEU 52 -7.168 -2.057 4.619 409 3HD1 LEU 52 3HD1 LEU 52 -8.434 -1.660 5.782 410 1HD2 LEU 52 1HD2 LEU 52 -4.878 -3.629 7.025 411 2HD2 LEU 52 2HD2 LEU 52 -5.120 -3.181 5.336 412 3HD2 LEU 52 3HD2 LEU 52 -4.771 -1.937 6.536 413 H GLN 53 H GLN 53 -10.454 -2.705 6.985 414 HA GLN 53 HA GLN 53 -10.414 -5.561 7.598 415 1HB GLN 53 1HB GLN 53 -12.905 -5.504 7.903 416 2HB GLN 53 2HB GLN 53 -12.005 -4.710 9.188 417 1HG GLN 53 1HG GLN 53 -12.485 -2.536 8.169 418 2HG GLN 53 2HG GLN 53 -13.407 -3.343 6.902 419 1HE2 GLN 53 2HE2 GLN 53 -13.451 -4.421 10.221 420 2HE2 GLN 53 1HE2 GLN 53 -15.074 -3.939 10.559 421 HA PRO 54 HA PRO 54 -11.223 -6.401 3.355 422 1HB PRO 54 1HB PRO 54 -13.857 -7.569 4.143 423 2HB PRO 54 2HB PRO 54 -12.590 -8.245 3.113 424 1HG PRO 54 1HG PRO 54 -12.876 -9.093 5.610 425 2HG PRO 54 2HG PRO 54 -11.260 -8.845 4.920 426 1HD PRO 54 1HD PRO 54 -12.762 -7.176 6.882 427 2HD PRO 54 2HD PRO 54 -11.017 -7.480 6.757 428 H ALA 55 H ALA 55 -14.061 -5.146 5.086 429 HA ALA 55 HA ALA 55 -15.504 -4.203 2.886 430 1HB ALA 55 1HB ALA 55 -15.428 -3.056 5.672 431 2HB ALA 55 2HB ALA 55 -16.692 -2.788 4.470 432 3HB ALA 55 3HB ALA 55 -16.437 -4.400 5.138 433 H HIS 56 H HIS 56 -12.562 -3.029 4.168 434 HA HIS 56 HA HIS 56 -12.918 -0.511 2.676 435 1HB HIS 56 1HB HIS 56 -11.204 -1.033 5.109 436 2HB HIS 56 2HB HIS 56 -11.155 0.449 4.164 437 HD1 HIS 56 HD1 HIS 56 -14.130 1.030 3.816 438 HD2 HIS 56 HD2 HIS 56 -12.441 -0.269 7.395 439 HE1 HIS 56 HE1 HIS 56 -15.699 1.795 5.632 440 HE2 HIS 56 HE2 HIS 56 -14.635 1.049 7.794 441 H MET 57 H MET 57 -11.142 -3.412 2.947 442 HA MET 57 HA MET 57 -8.819 -2.354 1.532 443 1HB MET 57 1HB MET 57 -8.575 -3.955 3.448 444 2HB MET 57 2HB MET 57 -9.339 -5.186 2.453 445 1HG MET 57 1HG MET 57 -6.976 -5.506 2.375 446 2HG MET 57 2HG MET 57 -7.509 -4.915 0.805 447 1HE MET 57 1HE MET 57 -3.927 -3.354 1.219 448 2HE MET 57 2HE MET 57 -4.961 -4.378 0.222 449 3HE MET 57 3HE MET 57 -4.456 -4.924 1.822 450 H ASP 58 H ASP 58 -11.781 -3.839 0.851 451 HA ASP 58 HA ASP 58 -11.230 -5.560 -1.250 452 1HB ASP 58 1HB ASP 58 -13.442 -5.366 -0.205 453 2HB ASP 58 2HB ASP 58 -13.644 -3.768 -0.914 454 H ALA 59 H ALA 59 -11.780 -2.058 -1.340 455 HA ALA 59 HA ALA 59 -11.751 -1.713 -4.107 456 1HB ALA 59 1HB ALA 59 -12.435 0.029 -2.526 457 2HB ALA 59 2HB ALA 59 -10.758 0.213 -2.011 458 3HB ALA 59 3HB ALA 59 -11.222 0.616 -3.664 459 H VAL 60 H VAL 60 -9.088 -1.897 -1.807 460 HA VAL 60 HA VAL 60 -7.034 -1.014 -3.535 461 HB VAL 60 HB VAL 60 -6.681 -2.986 -1.276 462 1HG1 VAL 60 1HG1 VAL 60 -4.488 -1.918 -1.046 463 2HG1 VAL 60 2HG1 VAL 60 -4.713 -2.614 -2.651 464 3HG1 VAL 60 3HG1 VAL 60 -4.859 -0.872 -2.417 465 1HG2 VAL 60 1HG2 VAL 60 -6.410 -1.055 0.220 466 2HG2 VAL 60 2HG2 VAL 60 -6.900 0.015 -1.092 467 3HG2 VAL 60 3HG2 VAL 60 -8.041 -1.160 -0.442 468 H LEU 61 H LEU 61 -8.380 -4.172 -2.800 469 HA LEU 61 HA LEU 61 -6.486 -5.611 -4.407 470 1HB LEU 61 1HB LEU 61 -9.132 -6.506 -3.261 471 2HB LEU 61 2HB LEU 61 -7.876 -7.553 -3.895 472 HG LEU 61 HG LEU 61 -7.553 -5.771 -1.481 473 1HD1 LEU 61 1HD1 LEU 61 -8.038 -8.739 -1.637 474 2HD1 LEU 61 2HD1 LEU 61 -7.690 -7.821 -0.173 475 3HD1 LEU 61 3HD1 LEU 61 -9.184 -7.528 -1.062 476 1HD2 LEU 61 1HD2 LEU 61 -5.806 -7.960 -2.597 477 2HD2 LEU 61 2HD2 LEU 61 -5.459 -6.231 -2.635 478 3HD2 LEU 61 3HD2 LEU 61 -5.527 -7.082 -1.093 479 H ALA 62 H ALA 62 -9.706 -4.300 -4.817 480 HA ALA 62 HA ALA 62 -10.376 -5.632 -7.219 481 1HB ALA 62 1HB ALA 62 -12.044 -4.545 -5.805 482 2HB ALA 62 2HB ALA 62 -11.348 -2.969 -6.188 483 3HB ALA 62 3HB ALA 62 -12.108 -3.930 -7.456 484 H LEU 63 H LEU 63 -8.381 -2.873 -6.539 485 HA LEU 63 HA LEU 63 -8.364 -1.760 -9.154 486 1HB LEU 63 1HB LEU 63 -6.377 -1.550 -6.896 487 2HB LEU 63 2HB LEU 63 -6.275 -0.620 -8.378 488 HG LEU 63 HG LEU 63 -8.554 -0.486 -6.400 489 1HD1 LEU 63 1HD1 LEU 63 -7.674 1.729 -5.861 490 2HD1 LEU 63 2HD1 LEU 63 -6.506 0.461 -5.489 491 3HD1 LEU 63 3HD1 LEU 63 -6.305 1.447 -6.937 492 1HD2 LEU 63 1HD2 LEU 63 -9.285 1.437 -7.711 493 2HD2 LEU 63 2HD2 LEU 63 -7.965 1.171 -8.850 494 3HD2 LEU 63 3HD2 LEU 63 -9.252 -0.025 -8.695 495 H ASN 64 H ASN 64 -7.139 -4.632 -7.996 496 HA ASN 64 HA ASN 64 -5.895 -6.289 -8.886 497 1HB ASN 64 1HB ASN 64 -7.282 -5.811 -10.891 498 2HB ASN 64 2HB ASN 64 -6.032 -4.713 -11.464 499 1HD2 ASN 64 2HD2 ASN 64 -6.904 -8.034 -10.901 500 2HD2 ASN 64 1HD2 ASN 64 -5.618 -8.732 -11.825 501 HA PRO 65 HA PRO 65 -1.789 -4.386 -8.804 502 1HB PRO 65 1HB PRO 65 -1.196 -4.786 -6.205 503 2HB PRO 65 2HB PRO 65 -2.095 -3.371 -6.756 504 1HG PRO 65 1HG PRO 65 -3.032 -5.672 -5.205 505 2HG PRO 65 2HG PRO 65 -3.796 -4.093 -5.438 506 1HD PRO 65 1HD PRO 65 -4.326 -6.608 -6.814 507 2HD PRO 65 2HD PRO 65 -5.249 -5.092 -6.864 508 H ALA 66 H ALA 66 0.252 -5.504 -8.539 509 HA ALA 66 HA ALA 66 -0.024 -8.428 -8.402 510 1HB ALA 66 1HB ALA 66 2.273 -6.752 -9.421 511 2HB ALA 66 2HB ALA 66 2.183 -8.513 -9.462 512 3HB ALA 66 3HB ALA 66 1.055 -7.550 -10.416 513 H VAL 67 H VAL 67 1.668 -5.679 -7.057 514 HA VAL 67 HA VAL 67 2.239 -7.245 -4.659 515 HB VAL 67 HB VAL 67 4.340 -7.286 -5.870 516 1HG1 VAL 67 1HG1 VAL 67 4.156 -4.278 -5.972 517 2HG1 VAL 67 2HG1 VAL 67 5.536 -5.245 -6.492 518 3HG1 VAL 67 3HG1 VAL 67 3.995 -5.377 -7.342 519 1HG2 VAL 67 1HG2 VAL 67 5.809 -6.189 -4.242 520 2HG2 VAL 67 2HG2 VAL 67 4.431 -5.285 -3.617 521 3HG2 VAL 67 3HG2 VAL 67 4.479 -7.040 -3.455 522 H ILE 68 H ILE 68 1.855 -6.141 -2.808 523 HA ILE 68 HA ILE 68 1.114 -3.301 -3.100 524 HB ILE 68 HB ILE 68 -0.003 -5.316 -1.139 525 1HG1 ILE 68 1HG1 ILE 68 -1.304 -3.936 -3.500 526 2HG1 ILE 68 2HG1 ILE 68 -0.825 -5.629 -3.444 527 1HG2 ILE 68 1HG2 ILE 68 -1.546 -3.516 -0.490 528 2HG2 ILE 68 2HG2 ILE 68 0.135 -3.096 -0.160 529 3HG2 ILE 68 3HG2 ILE 68 -0.688 -2.407 -1.559 530 1HD1 ILE 68 1HD1 ILE 68 -3.215 -5.365 -3.098 531 2HD1 ILE 68 2HD1 ILE 68 -2.436 -6.031 -1.663 532 3HD1 ILE 68 3HD1 ILE 68 -2.907 -4.332 -1.702 533 H LEU 69 H LEU 69 2.369 -1.940 -2.066 534 HA LEU 69 HA LEU 69 4.103 -2.908 0.080 535 1HB LEU 69 1HB LEU 69 4.053 -0.257 -1.371 536 2HB LEU 69 2HB LEU 69 5.217 -0.713 -0.143 537 HG LEU 69 HG LEU 69 4.897 -2.067 -2.823 538 1HD1 LEU 69 1HD1 LEU 69 7.024 -0.197 -1.796 539 2HD1 LEU 69 2HD1 LEU 69 7.050 -1.040 -3.343 540 3HD1 LEU 69 3HD1 LEU 69 5.815 0.179 -3.023 541 1HD2 LEU 69 1HD2 LEU 69 6.962 -3.233 -2.224 542 2HD2 LEU 69 2HD2 LEU 69 6.939 -2.463 -0.638 543 3HD2 LEU 69 3HD2 LEU 69 5.667 -3.599 -1.084 544 H LEU 70 H LEU 70 3.141 -2.896 1.993 545 HA LEU 70 HA LEU 70 1.169 -0.824 2.596 546 1HB LEU 70 1HB LEU 70 0.524 -3.163 2.965 547 2HB LEU 70 2HB LEU 70 1.875 -3.369 4.061 548 HG LEU 70 HG LEU 70 0.859 -1.712 5.596 549 1HD1 LEU 70 1HD1 LEU 70 -1.451 -1.010 5.247 550 2HD1 LEU 70 2HD1 LEU 70 -0.403 -0.426 3.954 551 3HD1 LEU 70 3HD1 LEU 70 -1.463 -1.808 3.674 552 1HD2 LEU 70 1HD2 LEU 70 -0.956 -3.152 6.380 553 2HD2 LEU 70 2HD2 LEU 70 -0.935 -4.019 4.844 554 3HD2 LEU 70 3HD2 LEU 70 0.461 -4.095 5.919 555 H GLY 71 H GLY 71 2.115 0.961 3.331 556 1HA GLY 71 1HA GLY 71 4.366 0.784 5.186 557 2HA GLY 71 2HA GLY 71 3.697 2.257 4.490 558 H THR 72 H THR 72 4.092 0.768 7.325 559 HA THR 72 HA THR 72 1.451 1.520 8.375 560 HB THR 72 HB THR 72 2.096 0.177 10.366 561 HG1 THR 72 HG1 THR 72 4.114 -0.370 10.569 562 1HG2 THR 72 1HG2 THR 72 0.808 -0.852 8.556 563 2HG2 THR 72 2HG2 THR 72 2.306 -1.294 7.736 564 3HG2 THR 72 3HG2 THR 72 1.908 -2.018 9.292 565 H GLY 73 H GLY 73 3.450 3.496 7.734 566 1HA GLY 73 1HA GLY 73 4.436 5.359 8.635 567 2HA GLY 73 2HA GLY 73 3.491 5.042 10.081 568 H GLU 74 H GLU 74 4.452 4.182 11.835 569 HA GLU 74 HA GLU 74 7.278 3.381 11.624 570 1HB GLU 74 1HB GLU 74 6.086 4.967 13.904 571 2HB GLU 74 2HB GLU 74 7.773 4.518 13.700 572 1HG GLU 74 1HG GLU 74 7.927 5.960 11.743 573 2HG GLU 74 2HG GLU 74 6.230 6.403 11.931 574 H ARG 75 H ARG 75 4.168 2.591 12.547 575 HA ARG 75 HA ARG 75 4.970 0.970 14.854 576 1HB ARG 75 1HB ARG 75 2.201 1.610 13.804 577 2HB ARG 75 2HB ARG 75 2.549 0.679 15.247 578 1HG ARG 75 1HG ARG 75 1.917 2.817 15.988 579 2HG ARG 75 2HG ARG 75 3.671 2.753 16.166 580 1HD ARG 75 1HD ARG 75 4.019 4.133 14.301 581 2HD ARG 75 2HD ARG 75 2.379 3.888 13.706 582 HE ARG 75 HE ARG 75 1.650 5.228 15.692 583 1HH1 ARG 75 1HH1 ARG 75 4.923 5.530 14.515 584 2HH1 ARG 75 2HH1 ARG 75 5.069 7.216 14.891 585 1HH2 ARG 75 1HH2 ARG 75 1.810 7.460 16.213 586 2HH2 ARG 75 2HH2 ARG 75 3.286 8.309 15.884 587 H GLN 76 H GLN 76 5.474 -1.109 14.446 588 HA GLN 76 HA GLN 76 4.612 -2.355 11.999 589 1HB GLN 76 1HB GLN 76 6.842 -2.837 12.993 590 2HB GLN 76 2HB GLN 76 6.037 -3.619 14.349 591 1HG GLN 76 1HG GLN 76 5.059 -5.258 12.826 592 2HG GLN 76 2HG GLN 76 5.867 -4.478 11.468 593 1HE2 GLN 76 2HE2 GLN 76 8.102 -4.692 11.245 594 2HE2 GLN 76 1HE2 GLN 76 8.984 -5.927 12.074 595 H GLN 77 H GLN 77 2.432 -2.536 12.023 596 HA GLN 77 HA GLN 77 1.314 -4.389 14.017 597 1HB GLN 77 1HB GLN 77 -0.072 -2.004 12.768 598 2HB GLN 77 2HB GLN 77 -0.836 -3.180 13.829 599 1HG GLN 77 1HG GLN 77 0.651 -2.506 15.646 600 2HG GLN 77 2HG GLN 77 1.419 -1.332 14.579 601 1HE2 GLN 77 2HE2 GLN 77 -1.417 -2.114 16.421 602 2HE2 GLN 77 1HE2 GLN 77 -2.153 -0.551 16.322 603 H PHE 78 H PHE 78 -0.333 -5.782 13.232 604 HA PHE 78 HA PHE 78 -0.269 -6.079 10.302 605 1HB PHE 78 1HB PHE 78 -0.563 -8.214 12.429 606 2HB PHE 78 2HB PHE 78 -0.667 -8.500 10.694 607 HD1 PHE 78 HD1 PHE 78 1.512 -8.112 13.522 608 HD2 PHE 78 HD2 PHE 78 1.353 -8.058 9.270 609 HE1 PHE 78 HE1 PHE 78 3.953 -8.403 13.431 610 HE2 PHE 78 HE2 PHE 78 3.794 -8.351 9.171 611 HZ PHE 78 HZ PHE 78 5.098 -8.524 11.254 612 HA PRO 79 HA PRO 79 -4.647 -5.396 10.398 613 1HB PRO 79 1HB PRO 79 -4.769 -6.819 7.839 614 2HB PRO 79 2HB PRO 79 -5.103 -5.121 8.189 615 1HG PRO 79 1HG PRO 79 -2.927 -5.904 6.799 616 2HG PRO 79 2HG PRO 79 -2.913 -4.487 7.865 617 1HD PRO 79 1HD PRO 79 -1.860 -7.246 8.365 618 2HD PRO 79 2HD PRO 79 -1.146 -5.675 8.783 619 H SER 80 H SER 80 -6.691 -6.687 9.974 620 HA SER 80 HA SER 80 -6.672 -9.023 11.529 621 1HB SER 80 1HB SER 80 -9.055 -9.262 10.636 622 2HB SER 80 2HB SER 80 -8.681 -7.754 11.471 623 HG SER 80 HG SER 80 -9.034 -6.699 9.688 624 H THR 81 H THR 81 -7.066 -11.193 10.953 625 HA THR 81 HA THR 81 -5.576 -12.189 8.836 626 HB THR 81 HB THR 81 -7.032 -14.304 9.323 627 HG1 THR 81 HG1 THR 81 -8.711 -13.672 10.499 628 1HG2 THR 81 1HG2 THR 81 -4.728 -14.015 10.079 629 2HG2 THR 81 2HG2 THR 81 -5.287 -13.042 11.440 630 3HG2 THR 81 3HG2 THR 81 -5.711 -14.752 11.343 631 H ASP 82 H ASP 82 -8.912 -11.223 8.989 632 HA ASP 82 HA ASP 82 -9.908 -12.460 6.686 633 1HB ASP 82 1HB ASP 82 -10.641 -9.840 7.999 634 2HB ASP 82 2HB ASP 82 -11.552 -10.552 6.671 635 H VAL 83 H VAL 83 -8.212 -9.393 7.133 636 HA VAL 83 HA VAL 83 -8.393 -8.532 4.431 637 HB VAL 83 HB VAL 83 -6.353 -7.799 6.547 638 1HG1 VAL 83 1HG1 VAL 83 -5.943 -5.801 5.207 639 2HG1 VAL 83 2HG1 VAL 83 -5.569 -7.265 4.295 640 3HG1 VAL 83 3HG1 VAL 83 -7.067 -6.388 3.982 641 1HG2 VAL 83 1HG2 VAL 83 -8.911 -6.426 5.732 642 2HG2 VAL 83 2HG2 VAL 83 -8.631 -7.294 7.242 643 3HG2 VAL 83 3HG2 VAL 83 -7.738 -5.813 6.897 644 H LEU 84 H LEU 84 -5.994 -10.330 6.278 645 HA LEU 84 HA LEU 84 -3.987 -10.462 4.328 646 1HB LEU 84 1HB LEU 84 -4.640 -12.498 6.461 647 2HB LEU 84 2HB LEU 84 -3.114 -12.350 5.609 648 HG LEU 84 HG LEU 84 -4.276 -10.283 7.481 649 1HD1 LEU 84 1HD1 LEU 84 -2.436 -10.938 8.965 650 2HD1 LEU 84 2HD1 LEU 84 -3.556 -12.268 8.672 651 3HD1 LEU 84 3HD1 LEU 84 -2.001 -12.226 7.843 652 1HD2 LEU 84 1HD2 LEU 84 -2.092 -9.197 7.274 653 2HD2 LEU 84 2HD2 LEU 84 -1.609 -10.398 6.075 654 3HD2 LEU 84 3HD2 LEU 84 -2.925 -9.278 5.721 655 H ALA 85 H ALA 85 -6.616 -12.731 5.090 656 HA ALA 85 HA ALA 85 -5.991 -14.685 3.185 657 1HB ALA 85 1HB ALA 85 -8.279 -15.461 3.472 658 2HB ALA 85 2HB ALA 85 -7.566 -15.037 5.028 659 3HB ALA 85 3HB ALA 85 -8.711 -13.941 4.255 660 H ALA 86 H ALA 86 -7.915 -11.741 2.927 661 HA ALA 86 HA ALA 86 -9.024 -12.257 0.385 662 1HB ALA 86 1HB ALA 86 -9.557 -9.883 0.333 663 2HB ALA 86 2HB ALA 86 -9.913 -10.567 1.918 664 3HB ALA 86 3HB ALA 86 -8.461 -9.594 1.684 665 H CYS 87 H CYS 87 -5.918 -11.035 1.384 666 HA CYS 87 HA CYS 87 -5.232 -10.155 -1.296 667 1HB CYS 87 1HB CYS 87 -4.438 -8.915 0.709 668 2HB CYS 87 2HB CYS 87 -3.501 -10.327 1.181 669 HG CYS 87 HG CYS 87 -1.691 -10.195 -0.872 670 H LEU 88 H LEU 88 -4.466 -12.784 0.932 671 HA LEU 88 HA LEU 88 -2.396 -13.942 -0.601 672 1HB LEU 88 1HB LEU 88 -4.228 -15.168 1.458 673 2HB LEU 88 2HB LEU 88 -2.825 -15.972 0.781 674 HG LEU 88 HG LEU 88 -2.779 -13.436 2.421 675 1HD1 LEU 88 1HD1 LEU 88 -1.916 -16.246 3.093 676 2HD1 LEU 88 2HD1 LEU 88 -1.701 -14.825 4.116 677 3HD1 LEU 88 3HD1 LEU 88 -3.325 -15.406 3.745 678 1HD2 LEU 88 1HD2 LEU 88 -0.998 -13.484 0.750 679 2HD2 LEU 88 2HD2 LEU 88 -0.350 -13.699 2.376 680 3HD2 LEU 88 3HD2 LEU 88 -0.515 -15.088 1.301 681 H THR 89 H THR 89 -5.890 -14.478 -0.554 682 HA THR 89 HA THR 89 -5.941 -16.768 -2.179 683 HB THR 89 HB THR 89 -8.298 -16.001 -2.747 684 HG1 THR 89 HG1 THR 89 -8.107 -14.108 -0.707 685 1HG2 THR 89 1HG2 THR 89 -7.801 -17.508 -0.874 686 2HG2 THR 89 2HG2 THR 89 -7.536 -16.112 0.173 687 3HG2 THR 89 3HG2 THR 89 -9.139 -16.422 -0.494 688 H ARG 90 H ARG 90 -5.648 -13.382 -2.949 689 HA ARG 90 HA ARG 90 -6.053 -13.809 -5.787 690 1HB ARG 90 1HB ARG 90 -5.394 -11.380 -4.131 691 2HB ARG 90 2HB ARG 90 -5.425 -11.342 -5.888 692 1HG ARG 90 1HG ARG 90 -7.751 -11.898 -5.926 693 2HG ARG 90 2HG ARG 90 -7.760 -12.178 -4.183 694 1HD ARG 90 1HD ARG 90 -7.394 -9.871 -3.731 695 2HD ARG 90 2HD ARG 90 -7.057 -9.529 -5.427 696 HE ARG 90 HE ARG 90 -9.329 -9.567 -5.885 697 1HH1 ARG 90 1HH1 ARG 90 -8.740 -10.503 -2.556 698 2HH1 ARG 90 2HH1 ARG 90 -10.400 -10.299 -2.073 699 1HH2 ARG 90 1HH2 ARG 90 -11.505 -9.278 -5.248 700 2HH2 ARG 90 2HH2 ARG 90 -11.961 -9.571 -3.593 701 H GLY 91 H GLY 91 -3.563 -14.380 -3.724 702 1HA GLY 91 1HA GLY 91 -1.344 -14.863 -4.059 703 2HA GLY 91 2HA GLY 91 -1.676 -14.802 -5.784 704 H ILE 92 H ILE 92 -2.216 -12.108 -3.617 705 HA ILE 92 HA ILE 92 -0.308 -10.544 -5.179 706 HB ILE 92 HB ILE 92 -2.283 -9.603 -3.091 707 1HG1 ILE 92 1HG1 ILE 92 -2.484 -9.516 -6.111 708 2HG1 ILE 92 2HG1 ILE 92 -3.374 -10.625 -5.073 709 1HG2 ILE 92 1HG2 ILE 92 -1.881 -7.380 -4.040 710 2HG2 ILE 92 2HG2 ILE 92 -0.400 -8.083 -3.389 711 3HG2 ILE 92 3HG2 ILE 92 -0.677 -8.066 -5.131 712 1HD1 ILE 92 1HD1 ILE 92 -4.770 -8.777 -5.765 713 2HD1 ILE 92 2HD1 ILE 92 -4.496 -8.721 -4.024 714 3HD1 ILE 92 3HD1 ILE 92 -3.616 -7.626 -5.091 715 H GLY 93 H GLY 93 1.589 -9.844 -4.398 716 1HA GLY 93 1HA GLY 93 2.520 -10.839 -1.871 717 2HA GLY 93 2HA GLY 93 3.428 -9.846 -3.002 718 H LEU 94 H LEU 94 1.913 -9.920 -0.025 719 HA LEU 94 HA LEU 94 1.519 -7.012 0.046 720 1HB LEU 94 1HB LEU 94 -0.354 -8.397 0.815 721 2HB LEU 94 2HB LEU 94 0.684 -9.150 2.009 722 HG LEU 94 HG LEU 94 0.945 -6.960 3.134 723 1HD1 LEU 94 1HD1 LEU 94 0.568 -5.515 1.205 724 2HD1 LEU 94 2HD1 LEU 94 -1.118 -6.029 1.143 725 3HD1 LEU 94 3HD1 LEU 94 -0.526 -5.114 2.529 726 1HD2 LEU 94 1HD2 LEU 94 -1.907 -7.857 2.737 727 2HD2 LEU 94 2HD2 LEU 94 -0.753 -8.540 3.883 728 3HD2 LEU 94 3HD2 LEU 94 -1.308 -6.878 4.076 729 H GLU 95 H GLU 95 3.353 -5.988 0.521 730 HA GLU 95 HA GLU 95 5.177 -7.155 2.504 731 1HB GLU 95 1HB GLU 95 5.620 -4.752 0.723 732 2HB GLU 95 2HB GLU 95 6.830 -5.588 1.685 733 1HG GLU 95 1HG GLU 95 5.365 -6.704 -0.695 734 2HG GLU 95 2HG GLU 95 7.035 -6.146 -0.663 735 H ALA 96 H ALA 96 4.686 -6.565 4.537 736 HA ALA 96 HA ALA 96 3.579 -3.899 5.034 737 1HB ALA 96 1HB ALA 96 3.915 -6.237 6.915 738 2HB ALA 96 2HB ALA 96 3.087 -4.723 7.280 739 3HB ALA 96 3HB ALA 96 2.436 -5.812 6.055 740 H MET 97 H MET 97 4.975 -2.323 5.400 741 HA MET 97 HA MET 97 7.329 -2.798 7.073 742 1HB MET 97 1HB MET 97 7.455 -1.590 4.298 743 2HB MET 97 2HB MET 97 8.783 -1.612 5.447 744 1HG MET 97 1HG MET 97 8.915 -4.000 5.340 745 2HG MET 97 2HG MET 97 7.463 -4.077 4.341 746 1HE MET 97 1HE MET 97 7.339 -3.179 1.841 747 2HE MET 97 2HE MET 97 8.689 -2.398 1.018 748 3HE MET 97 3HE MET 97 7.910 -1.601 2.384 749 H THR 98 H THR 98 8.499 -0.555 7.339 750 HA THR 98 HA THR 98 6.494 1.378 8.102 751 HB THR 98 HB THR 98 8.489 2.708 8.882 752 HG1 THR 98 HG1 THR 98 10.482 1.427 8.968 753 1HG2 THR 98 1HG2 THR 98 8.277 -0.132 9.891 754 2HG2 THR 98 2HG2 THR 98 9.002 1.217 10.765 755 3HG2 THR 98 3HG2 THR 98 7.275 1.227 10.403 756 H ASN 99 H ASN 99 6.892 3.740 7.490 757 HA ASN 99 HA ASN 99 6.592 3.970 4.711 758 1HB ASN 99 1HB ASN 99 7.178 6.107 6.766 759 2HB ASN 99 2HB ASN 99 6.784 6.445 5.085 760 1HD2 ASN 99 2HD2 ASN 99 5.281 7.441 7.173 761 2HD2 ASN 99 1HD2 ASN 99 3.721 6.692 7.148 762 H ALA 100 H ALA 100 9.417 4.176 6.719 763 HA ALA 100 HA ALA 100 11.139 5.535 4.962 764 1HB ALA 100 1HB ALA 100 11.842 3.436 7.012 765 2HB ALA 100 2HB ALA 100 12.952 4.598 6.286 766 3HB ALA 100 3HB ALA 100 11.649 5.160 7.333 767 H ALA 101 H ALA 101 10.441 2.089 5.373 768 HA ALA 101 HA ALA 101 12.322 1.316 3.331 769 1HB ALA 101 1HB ALA 101 11.913 -0.112 5.284 770 2HB ALA 101 2HB ALA 101 10.241 -0.330 4.766 771 3HB ALA 101 3HB ALA 101 11.559 -0.952 3.774 772 H ALA 102 H ALA 102 8.835 1.706 3.629 773 HA ALA 102 HA ALA 102 8.030 0.380 1.309 774 1HB ALA 102 1HB ALA 102 5.963 1.656 1.483 775 2HB ALA 102 2HB ALA 102 6.480 1.081 3.067 776 3HB ALA 102 3HB ALA 102 6.731 2.768 2.616 777 H ALA 103 H ALA 103 8.893 3.795 1.774 778 HA ALA 103 HA ALA 103 8.308 4.654 -0.835 779 1HB ALA 103 1HB ALA 103 9.693 6.594 -0.321 780 2HB ALA 103 2HB ALA 103 8.635 6.193 1.032 781 3HB ALA 103 3HB ALA 103 10.345 5.764 1.092 782 H ARG 104 H ARG 104 11.246 3.316 0.586 783 HA ARG 104 HA ARG 104 12.932 3.749 -1.641 784 1HB ARG 104 1HB ARG 104 13.862 3.318 0.553 785 2HB ARG 104 2HB ARG 104 13.096 1.738 0.610 786 1HG ARG 104 1HG ARG 104 14.515 0.943 -1.178 787 2HG ARG 104 2HG ARG 104 15.231 2.547 -1.356 788 1HD ARG 104 1HD ARG 104 15.361 0.889 1.160 789 2HD ARG 104 2HD ARG 104 16.632 0.946 -0.060 790 HE ARG 104 HE ARG 104 16.857 3.338 0.451 791 1HH1 ARG 104 1HH1 ARG 104 15.206 1.307 2.800 792 2HH1 ARG 104 2HH1 ARG 104 15.589 2.348 4.145 793 1HH2 ARG 104 1HH2 ARG 104 17.368 4.688 2.212 794 2HH2 ARG 104 2HH2 ARG 104 16.810 4.274 3.806 795 H THR 105 H THR 105 11.019 0.939 -0.599 796 HA THR 105 HA THR 105 11.840 -0.729 -2.737 797 HB THR 105 HB THR 105 9.749 -2.056 -2.131 798 HG1 THR 105 HG1 THR 105 8.922 0.071 -1.046 799 1HG2 THR 105 1HG2 THR 105 10.713 -2.847 -0.020 800 2HG2 THR 105 2HG2 THR 105 11.959 -2.591 -1.241 801 3HG2 THR 105 3HG2 THR 105 11.734 -1.411 0.050 802 H TYR 106 H TYR 106 9.339 1.687 -2.426 803 HA TYR 106 HA TYR 106 7.685 0.887 -4.550 804 1HB TYR 106 1HB TYR 106 6.914 2.534 -2.950 805 2HB TYR 106 2HB TYR 106 8.200 3.643 -3.415 806 HD1 TYR 106 HD1 TYR 106 5.177 1.920 -4.741 807 HD2 TYR 106 HD2 TYR 106 7.848 5.211 -5.119 808 HE1 TYR 106 HE1 TYR 106 3.704 2.915 -6.442 809 HE2 TYR 106 HE2 TYR 106 6.384 6.215 -6.818 810 HH TYR 106 HH TYR 106 4.675 5.511 -8.428 811 H ASN 107 H ASN 107 10.437 3.127 -4.466 812 HA ASN 107 HA ASN 107 10.308 3.928 -7.151 813 1HB ASN 107 1HB ASN 107 11.680 5.038 -5.378 814 2HB ASN 107 2HB ASN 107 12.801 3.683 -5.453 815 1HD2 ASN 107 2HD2 ASN 107 11.168 5.067 -8.229 816 2HD2 ASN 107 1HD2 ASN 107 12.586 5.715 -8.977 817 H VAL 108 H VAL 108 12.047 1.266 -5.600 818 HA VAL 108 HA VAL 108 13.441 0.382 -7.881 819 HB VAL 108 HB VAL 108 12.570 -1.254 -5.493 820 1HG1 VAL 108 1HG1 VAL 108 14.785 -1.716 -7.490 821 2HG1 VAL 108 2HG1 VAL 108 14.458 -2.703 -6.064 822 3HG1 VAL 108 3HG1 VAL 108 13.282 -2.634 -7.377 823 1HG2 VAL 108 1HG2 VAL 108 15.100 0.319 -5.960 824 2HG2 VAL 108 2HG2 VAL 108 13.830 0.703 -4.799 825 3HG2 VAL 108 3HG2 VAL 108 14.801 -0.755 -4.594 826 H LEU 109 H LEU 109 10.356 -0.702 -6.452 827 HA LEU 109 HA LEU 109 9.924 -2.745 -8.375 828 1HB LEU 109 1HB LEU 109 7.997 -1.342 -6.527 829 2HB LEU 109 2HB LEU 109 7.584 -2.738 -7.505 830 HG LEU 109 HG LEU 109 9.644 -2.675 -5.298 831 1HD1 LEU 109 1HD1 LEU 109 7.348 -2.585 -4.481 832 2HD1 LEU 109 2HD1 LEU 109 6.943 -4.003 -5.449 833 3HD1 LEU 109 3HD1 LEU 109 8.094 -4.141 -4.120 834 1HD2 LEU 109 1HD2 LEU 109 8.705 -4.960 -7.028 835 2HD2 LEU 109 2HD2 LEU 109 10.296 -4.202 -7.080 836 3HD2 LEU 109 3HD2 LEU 109 9.790 -5.092 -5.644 837 H ALA 110 H ALA 110 9.120 0.657 -8.273 838 HA ALA 110 HA ALA 110 7.245 0.687 -10.381 839 1HB ALA 110 1HB ALA 110 7.553 2.572 -8.844 840 2HB ALA 110 2HB ALA 110 9.148 2.870 -9.535 841 3HB ALA 110 3HB ALA 110 7.705 3.075 -10.528 842 H SER 111 H SER 111 10.772 1.056 -10.339 843 HA SER 111 HA SER 111 10.940 1.392 -13.183 844 1HB SER 111 1HB SER 111 13.085 0.840 -11.120 845 2HB SER 111 2HB SER 111 13.388 1.259 -12.806 846 HG SER 111 HG SER 111 11.765 3.098 -11.970 847 H GLU 112 H GLU 112 10.788 -1.291 -11.052 848 HA GLU 112 HA GLU 112 12.100 -3.200 -12.696 849 1HB GLU 112 1HB GLU 112 11.553 -3.423 -10.223 850 2HB GLU 112 2HB GLU 112 9.896 -3.759 -10.706 851 1HG GLU 112 1HG GLU 112 11.045 -5.821 -10.276 852 2HG GLU 112 2HG GLU 112 10.692 -5.695 -11.999 853 H GLY 113 H GLY 113 8.947 -1.778 -12.659 854 1HA GLY 113 1HA GLY 113 7.433 -1.760 -14.437 855 2HA GLY 113 2HA GLY 113 8.330 -3.074 -15.184 856 H ARG 114 H ARG 114 6.645 -2.639 -12.077 857 HA ARG 114 HA ARG 114 5.045 -5.021 -12.714 858 1HB ARG 114 1HB ARG 114 6.252 -4.429 -10.002 859 2HB ARG 114 2HB ARG 114 5.289 -5.834 -10.437 860 1HG ARG 114 1HG ARG 114 7.049 -6.549 -11.986 861 2HG ARG 114 2HG ARG 114 8.020 -5.154 -11.511 862 1HD ARG 114 1HD ARG 114 8.794 -7.069 -10.297 863 2HD ARG 114 2HD ARG 114 7.968 -5.991 -9.171 864 HE ARG 114 HE ARG 114 6.294 -8.066 -10.288 865 1HH1 ARG 114 1HH1 ARG 114 8.473 -7.193 -7.683 866 2HH1 ARG 114 2HH1 ARG 114 7.872 -8.410 -6.600 867 1HH2 ARG 114 1HH2 ARG 114 5.516 -9.672 -8.889 868 2HH2 ARG 114 2HH2 ARG 114 6.203 -9.842 -7.296 869 H ARG 115 H ARG 115 2.986 -5.095 -11.635 870 HA ARG 115 HA ARG 115 1.791 -2.525 -11.253 871 1HB ARG 115 1HB ARG 115 0.883 -5.262 -11.542 872 2HB ARG 115 2HB ARG 115 0.015 -4.442 -10.253 873 1HG ARG 115 1HG ARG 115 0.302 -3.341 -13.036 874 2HG ARG 115 2HG ARG 115 -1.065 -4.317 -12.495 875 1HD ARG 115 1HD ARG 115 -1.544 -2.649 -10.752 876 2HD ARG 115 2HD ARG 115 -0.196 -1.670 -11.332 877 HE ARG 115 HE ARG 115 -1.603 -1.829 -13.551 878 1HH1 ARG 115 1HH1 ARG 115 -2.784 -1.335 -10.288 879 2HH1 ARG 115 2HH1 ARG 115 -4.166 -0.422 -10.787 880 1HH2 ARG 115 1HH2 ARG 115 -3.419 -0.613 -14.214 881 2HH2 ARG 115 2HH2 ARG 115 -4.537 -0.007 -13.024 882 H VAL 116 H VAL 116 3.013 -1.662 -9.545 883 HA VAL 116 HA VAL 116 2.777 -2.958 -6.946 884 HB VAL 116 HB VAL 116 4.988 -2.134 -7.539 885 1HG1 VAL 116 1HG1 VAL 116 5.453 0.258 -7.779 886 2HG1 VAL 116 2HG1 VAL 116 4.370 -0.330 -9.041 887 3HG1 VAL 116 3HG1 VAL 116 3.724 0.598 -7.687 888 1HG2 VAL 116 1HG2 VAL 116 4.374 -2.126 -5.187 889 2HG2 VAL 116 2HG2 VAL 116 5.458 -0.783 -5.554 890 3HG2 VAL 116 3HG2 VAL 116 3.730 -0.492 -5.347 891 H ALA 117 H ALA 117 1.448 -2.316 -5.400 892 HA ALA 117 HA ALA 117 -0.025 0.212 -5.771 893 1HB ALA 117 1HB ALA 117 -0.862 -2.247 -4.229 894 2HB ALA 117 2HB ALA 117 -1.810 -0.774 -4.435 895 3HB ALA 117 3HB ALA 117 -1.449 -1.791 -5.829 896 H LEU 118 H LEU 118 0.716 1.770 -4.470 897 HA LEU 118 HA LEU 118 2.156 1.028 -2.057 898 1HB LEU 118 1HB LEU 118 3.093 2.727 -3.594 899 2HB LEU 118 2HB LEU 118 1.706 3.753 -3.279 900 HG LEU 118 HG LEU 118 2.382 3.862 -0.887 901 1HD1 LEU 118 1HD1 LEU 118 3.630 1.779 -0.757 902 2HD1 LEU 118 2HD1 LEU 118 4.838 2.419 -1.871 903 3HD1 LEU 118 3HD1 LEU 118 4.640 3.141 -0.274 904 1HD2 LEU 118 1HD2 LEU 118 4.271 5.377 -1.242 905 2HD2 LEU 118 2HD2 LEU 118 4.469 4.747 -2.878 906 3HD2 LEU 118 3HD2 LEU 118 3.007 5.631 -2.444 907 H ALA 119 H ALA 119 0.697 0.421 -0.553 908 HA ALA 119 HA ALA 119 -1.544 2.158 0.100 909 1HB ALA 119 1HB ALA 119 -0.611 -0.410 1.390 910 2HB ALA 119 2HB ALA 119 -2.089 0.464 1.794 911 3HB ALA 119 3HB ALA 119 -1.899 -0.257 0.195 912 H MET 120 H MET 120 -0.682 4.013 0.890 913 HA MET 120 HA MET 120 1.561 3.839 2.747 914 1HB MET 120 1HB MET 120 1.449 5.365 0.658 915 2HB MET 120 2HB MET 120 0.398 6.379 1.637 916 1HG MET 120 1HG MET 120 2.572 7.274 1.809 917 2HG MET 120 2HG MET 120 2.236 6.468 3.340 918 1HE MET 120 1HE MET 120 6.127 6.012 2.633 919 2HE MET 120 2HE MET 120 4.937 6.731 3.717 920 3HE MET 120 3HE MET 120 5.141 7.366 2.084 921 H ILE 121 H ILE 121 0.709 3.352 4.715 922 HA ILE 121 HA ILE 121 -1.355 5.140 5.784 923 HB ILE 121 HB ILE 121 -0.248 2.559 6.913 924 1HG1 ILE 121 1HG1 ILE 121 -2.941 3.206 5.690 925 2HG1 ILE 121 2HG1 ILE 121 -1.674 2.249 4.933 926 1HG2 ILE 121 1HG2 ILE 121 -2.463 4.326 7.948 927 2HG2 ILE 121 2HG2 ILE 121 -2.034 2.741 8.589 928 3HG2 ILE 121 3HG2 ILE 121 -0.888 4.077 8.699 929 1HD1 ILE 121 1HD1 ILE 121 -3.422 0.837 5.840 930 2HD1 ILE 121 2HD1 ILE 121 -1.899 0.569 6.688 931 3HD1 ILE 121 3HD1 ILE 121 -3.170 1.530 7.443 932 H VAL 122 H VAL 122 -0.730 6.790 6.967 933 HA VAL 122 HA VAL 122 2.031 6.972 7.838 934 HB VAL 122 HB VAL 122 -0.203 9.006 8.009 935 1HG1 VAL 122 1HG1 VAL 122 1.581 9.453 9.603 936 2HG1 VAL 122 2HG1 VAL 122 2.776 9.342 8.312 937 3HG1 VAL 122 3HG1 VAL 122 1.586 10.644 8.303 938 1HG2 VAL 122 1HG2 VAL 122 0.283 8.384 5.702 939 2HG2 VAL 122 2HG2 VAL 122 0.832 10.025 6.040 940 3HG2 VAL 122 3HG2 VAL 122 1.998 8.704 5.968 941 H GLY 123 H GLY 123 2.646 7.457 10.006 942 1HA GLY 123 1HA GLY 123 1.410 5.865 11.955 943 2HA GLY 123 2HA GLY 123 2.634 7.088 12.264 944 H GLY 124 H GLY 124 -0.153 6.203 13.389 945 1HA GLY 124 1HA GLY 124 -1.895 8.396 13.118 946 2HA GLY 124 2HA GLY 124 -1.949 7.196 14.401 947 H LEU 125 H LEU 125 -2.167 10.231 14.201 948 HA LEU 125 HA LEU 125 -0.070 11.455 15.572 949 1HB LEU 125 1HB LEU 125 -3.011 12.135 15.706 950 2HB LEU 125 2HB LEU 125 -1.687 13.205 16.124 951 HG LEU 125 HG LEU 125 -2.200 12.112 13.355 952 1HD1 LEU 125 1HD1 LEU 125 -2.929 14.385 12.815 953 2HD1 LEU 125 2HD1 LEU 125 -3.964 13.642 14.034 954 3HD1 LEU 125 3HD1 LEU 125 -2.762 14.839 14.511 955 1HD2 LEU 125 1HD2 LEU 125 -0.281 14.221 14.343 956 2HD2 LEU 125 2HD2 LEU 125 0.150 12.607 13.778 957 3HD2 LEU 125 3HD2 LEU 125 -0.549 13.775 12.657 958 H GLU 126 H GLU 126 -2.842 9.643 16.730 959 HA GLU 126 HA GLU 126 -2.504 10.291 19.471 960 1HB GLU 126 1HB GLU 126 -4.032 8.137 18.050 961 2HB GLU 126 2HB GLU 126 -3.924 8.178 19.804 962 1HG GLU 126 1HG GLU 126 -4.818 10.526 19.689 963 2HG GLU 126 2HG GLU 126 -5.152 10.221 17.983 964 H HIS 127 H HIS 127 -1.590 9.198 21.092 965 HA HIS 127 HA HIS 127 -0.126 6.745 20.605 966 1HB HIS 127 1HB HIS 127 1.986 7.777 21.569 967 2HB HIS 127 2HB HIS 127 1.578 8.273 19.931 968 HD1 HIS 127 HD1 HIS 127 0.674 10.733 19.628 969 HD2 HIS 127 HD2 HIS 127 2.051 9.817 23.450 970 HE1 HIS 127 HE1 HIS 127 0.923 12.939 20.808 971 HE2 HIS 127 HE2 HIS 127 1.822 12.375 23.095 972 H HIS 128 H HIS 128 -1.178 9.310 22.749 973 HA HIS 128 HA HIS 128 -1.652 9.415 24.957 974 1HB HIS 128 1HB HIS 128 -2.119 6.452 24.547 975 2HB HIS 128 2HB HIS 128 -2.577 7.333 26.002 976 HD1 HIS 128 HD1 HIS 128 -4.760 8.614 25.944 977 HD2 HIS 128 HD2 HIS 128 -3.593 7.231 22.200 978 HE1 HIS 128 HE1 HIS 128 -6.716 9.044 24.420 979 HE2 HIS 128 HE2 HIS 128 -5.941 8.316 22.131 980 H HIS 129 H HIS 129 -1.131 7.629 27.095 981 HA HIS 129 HA HIS 129 1.814 7.583 26.984 982 1HB HIS 129 1HB HIS 129 0.659 9.185 28.615 983 2HB HIS 129 2HB HIS 129 0.199 7.749 29.521 984 HD1 HIS 129 HD1 HIS 129 2.868 10.168 29.162 985 HD2 HIS 129 HD2 HIS 129 2.563 6.209 30.405 986 HE1 HIS 129 HE1 HIS 129 4.970 9.697 30.457 987 HE2 HIS 129 HE2 HIS 129 4.654 7.379 31.388 988 H HIS 130 H HIS 130 -0.771 6.012 28.910 989 HA HIS 130 HA HIS 130 0.610 3.456 28.401 990 1HB HIS 130 1HB HIS 130 0.078 4.714 30.917 991 2HB HIS 130 2HB HIS 130 -0.884 3.245 30.808 992 HD1 HIS 130 HD1 HIS 130 0.314 1.040 31.112 993 HD2 HIS 130 HD2 HIS 130 2.914 4.269 30.701 994 HE1 HIS 130 HE1 HIS 130 2.601 0.154 31.666 995 HE2 HIS 130 HE2 HIS 130 4.173 2.066 31.202 996 H HIS 131 H HIS 131 -0.779 3.001 26.653 997 HA HIS 131 HA HIS 131 -3.619 2.822 27.040 998 1HB HIS 131 1HB HIS 131 -2.315 3.050 24.799 999 2HB HIS 131 2HB HIS 131 -2.100 1.307 24.922 1000 HD1 HIS 131 HD1 HIS 131 -3.589 2.054 22.528 1001 HD2 HIS 131 HD2 HIS 131 -5.515 1.663 26.198 1002 HE1 HIS 131 HE1 HIS 131 -6.025 1.720 21.990 1003 HE2 HIS 131 HE2 HIS 131 -7.189 1.705 24.226 1004 H HIS 132 H HIS 132 -0.872 0.864 27.618 1005 HA HIS 132 HA HIS 132 -2.558 -1.017 29.063 1006 1HB HIS 132 1HB HIS 132 -2.031 -2.172 26.956 1007 2HB HIS 132 2HB HIS 132 -0.316 -1.857 27.199 1008 HD1 HIS 132 HD1 HIS 132 -3.163 -3.876 28.664 1009 HD2 HIS 132 HD2 HIS 132 0.996 -3.690 28.777 1010 HE1 HIS 132 HE1 HIS 132 -2.420 -5.907 29.952 1011 HE2 HIS 132 HE2 HIS 132 0.087 -5.702 30.128 Start of MODEL 11 1 1H MET 1 1HT MET 1 -12.925 22.314 -22.038 2 2H MET 1 2HT MET 1 -13.559 21.050 -21.107 3 3H MET 1 3HT MET 1 -11.929 21.015 -21.590 4 HA MET 1 HA MET 1 -13.166 22.966 -19.729 5 1HB MET 1 1HB MET 1 -11.154 20.750 -19.260 6 2HB MET 1 2HB MET 1 -11.658 21.927 -18.057 7 1HG MET 1 1HG MET 1 -13.961 21.068 -18.229 8 2HG MET 1 2HG MET 1 -13.392 19.843 -19.362 9 1HE MET 1 1HE MET 1 -13.292 21.156 -15.671 10 2HE MET 1 2HE MET 1 -11.594 21.245 -16.135 11 3HE MET 1 3HE MET 1 -12.119 20.070 -14.928 12 HA PRO 2 HA PRO 2 -9.740 25.572 -20.798 13 1HB PRO 2 1HB PRO 2 -9.842 26.785 -18.156 14 2HB PRO 2 2HB PRO 2 -10.335 27.464 -19.709 15 1HG PRO 2 1HG PRO 2 -12.104 26.813 -17.759 16 2HG PRO 2 2HG PRO 2 -12.501 26.744 -19.485 17 1HD PRO 2 1HD PRO 2 -11.743 24.519 -17.622 18 2HD PRO 2 2HD PRO 2 -13.006 24.561 -18.874 19 H LEU 3 H LEU 3 -8.891 23.035 -19.881 20 HA LEU 3 HA LEU 3 -6.888 23.458 -17.835 21 1HB LEU 3 1HB LEU 3 -7.369 21.087 -19.648 22 2HB LEU 3 2HB LEU 3 -6.256 21.121 -18.295 23 HG LEU 3 HG LEU 3 -9.256 21.407 -18.088 24 1HD1 LEU 3 1HD1 LEU 3 -7.444 19.099 -17.403 25 2HD1 LEU 3 2HD1 LEU 3 -9.173 19.188 -17.065 26 3HD1 LEU 3 3HD1 LEU 3 -8.600 19.158 -18.733 27 1HD2 LEU 3 1HD2 LEU 3 -8.878 21.193 -15.678 28 2HD2 LEU 3 2HD2 LEU 3 -7.137 21.194 -15.952 29 3HD2 LEU 3 3HD2 LEU 3 -8.090 22.629 -16.333 30 H ASN 4 H ASN 4 -5.324 24.820 -18.486 31 HA ASN 4 HA ASN 4 -4.272 24.550 -21.208 32 1HB ASN 4 1HB ASN 4 -5.064 26.786 -20.484 33 2HB ASN 4 2HB ASN 4 -3.856 26.780 -19.203 34 1HD2 ASN 4 2HD2 ASN 4 -2.786 28.570 -19.959 35 2HD2 ASN 4 1HD2 ASN 4 -1.839 28.550 -21.408 36 H GLN 5 H GLN 5 -3.229 24.693 -17.823 37 HA GLN 5 HA GLN 5 -0.479 24.181 -18.588 38 1HB GLN 5 1HB GLN 5 -0.914 25.728 -16.748 39 2HB GLN 5 2HB GLN 5 -1.741 24.459 -15.855 40 1HG GLN 5 1HG GLN 5 0.334 23.191 -15.716 41 2HG GLN 5 2HG GLN 5 1.168 24.445 -16.630 42 1HE2 GLN 5 2HE2 GLN 5 -0.249 26.614 -15.294 43 2HE2 GLN 5 1HE2 GLN 5 0.431 26.721 -13.710 44 H GLU 6 H GLU 6 0.336 22.244 -18.840 45 HA GLU 6 HA GLU 6 -0.968 19.815 -18.226 46 1HB GLU 6 1HB GLU 6 1.966 20.405 -18.684 47 2HB GLU 6 2HB GLU 6 1.272 18.792 -18.626 48 1HG GLU 6 1HG GLU 6 0.392 20.871 -20.603 49 2HG GLU 6 2HG GLU 6 1.722 19.756 -20.910 50 H HIS 7 H HIS 7 -0.762 18.436 -16.453 51 HA HIS 7 HA HIS 7 -0.006 19.556 -13.972 52 1HB HIS 7 1HB HIS 7 -0.613 16.743 -14.848 53 2HB HIS 7 2HB HIS 7 -0.033 17.071 -13.219 54 HD1 HIS 7 HD1 HIS 7 -3.018 16.145 -14.380 55 HD2 HIS 7 HD2 HIS 7 -1.858 19.721 -12.587 56 HE1 HIS 7 HE1 HIS 7 -5.125 17.152 -13.432 57 HE2 HIS 7 HE2 HIS 7 -4.382 19.265 -12.277 58 HA PRO 8 HA PRO 8 4.360 19.786 -14.295 59 1HB PRO 8 1HB PRO 8 4.115 19.030 -11.408 60 2HB PRO 8 2HB PRO 8 5.098 20.295 -12.158 61 1HG PRO 8 1HG PRO 8 2.808 20.901 -10.950 62 2HG PRO 8 2HG PRO 8 3.291 21.712 -12.450 63 1HD PRO 8 1HD PRO 8 1.192 19.665 -12.001 64 2HD PRO 8 2HD PRO 8 1.286 20.937 -13.232 65 H ASP 9 H ASP 9 5.523 18.274 -15.224 66 HA ASP 9 HA ASP 9 5.227 15.491 -14.546 67 1HB ASP 9 1HB ASP 9 5.557 16.070 -16.872 68 2HB ASP 9 2HB ASP 9 7.069 16.890 -16.495 69 H TYR 10 H TYR 10 6.021 14.954 -12.642 70 HA TYR 10 HA TYR 10 8.898 14.930 -12.371 71 1HB TYR 10 1HB TYR 10 8.050 17.049 -11.214 72 2HB TYR 10 2HB TYR 10 7.233 15.983 -10.076 73 HD1 TYR 10 HD1 TYR 10 10.343 17.537 -10.990 74 HD2 TYR 10 HD2 TYR 10 8.635 14.409 -8.669 75 HE1 TYR 10 HE1 TYR 10 12.410 17.398 -9.668 76 HE2 TYR 10 HE2 TYR 10 10.697 14.263 -7.338 77 HH TYR 10 HH TYR 10 13.226 14.851 -7.798 78 H THR 11 H THR 11 9.352 12.894 -11.923 79 HA THR 11 HA THR 11 7.434 10.950 -11.377 80 HB THR 11 HB THR 11 10.383 10.710 -10.772 81 HG1 THR 11 HG1 THR 11 8.957 10.836 -13.205 82 1HG2 THR 11 1HG2 THR 11 9.001 8.831 -10.019 83 2HG2 THR 11 2HG2 THR 11 8.314 8.682 -11.637 84 3HG2 THR 11 3HG2 THR 11 10.028 8.356 -11.372 85 H TYR 12 H TYR 12 6.247 10.879 -9.604 86 HA TYR 12 HA TYR 12 7.150 11.856 -7.080 87 1HB TYR 12 1HB TYR 12 4.904 10.717 -6.341 88 2HB TYR 12 2HB TYR 12 4.876 12.182 -7.314 89 HD1 TYR 12 HD1 TYR 12 4.196 12.112 -9.653 90 HD2 TYR 12 HD2 TYR 12 4.184 8.586 -7.270 91 HE1 TYR 12 HE1 TYR 12 2.808 10.984 -11.338 92 HE2 TYR 12 HE2 TYR 12 2.799 7.448 -8.953 93 HH TYR 12 HH TYR 12 2.326 8.665 -12.065 94 H ALA 13 H ALA 13 8.632 10.802 -6.001 95 HA ALA 13 HA ALA 13 8.228 7.927 -5.510 96 1HB ALA 13 1HB ALA 13 10.654 7.634 -5.452 97 2HB ALA 13 2HB ALA 13 10.131 8.252 -7.019 98 3HB ALA 13 3HB ALA 13 10.877 9.338 -5.847 99 H LEU 14 H LEU 14 7.472 10.437 -4.097 100 HA LEU 14 HA LEU 14 7.280 11.233 -1.991 101 1HB LEU 14 1HB LEU 14 8.619 8.619 -1.371 102 2HB LEU 14 2HB LEU 14 8.331 9.796 -0.107 103 HG LEU 14 HG LEU 14 6.578 8.170 -0.048 104 1HD1 LEU 14 1HD1 LEU 14 5.917 10.456 0.418 105 2HD1 LEU 14 2HD1 LEU 14 5.576 10.723 -1.292 106 3HD1 LEU 14 3HD1 LEU 14 4.606 9.575 -0.367 107 1HD2 LEU 14 1HD2 LEU 14 6.067 8.814 -2.948 108 2HD2 LEU 14 2HD2 LEU 14 6.751 7.315 -2.322 109 3HD2 LEU 14 3HD2 LEU 14 5.086 7.751 -1.939 110 H ARG 15 H ARG 15 8.729 11.845 0.013 111 HA ARG 15 HA ARG 15 11.514 12.192 -0.493 112 1HB ARG 15 1HB ARG 15 10.720 13.911 -2.019 113 2HB ARG 15 2HB ARG 15 9.706 14.605 -0.762 114 1HG ARG 15 1HG ARG 15 11.701 15.199 0.519 115 2HG ARG 15 2HG ARG 15 12.715 14.511 -0.750 116 1HD ARG 15 1HD ARG 15 11.967 16.154 -2.325 117 2HD ARG 15 2HD ARG 15 10.752 16.753 -1.195 118 HE ARG 15 HE ARG 15 13.370 16.933 -0.092 119 1HH1 ARG 15 1HH1 ARG 15 11.239 18.463 -2.417 120 2HH1 ARG 15 2HH1 ARG 15 11.935 20.045 -2.212 121 1HH2 ARG 15 1HH2 ARG 15 14.292 19.018 0.180 122 2HH2 ARG 15 2HH2 ARG 15 13.649 20.366 -0.719 123 H ALA 16 H ALA 16 9.011 14.134 1.145 124 HA ALA 16 HA ALA 16 10.574 13.902 3.607 125 1HB ALA 16 1HB ALA 16 9.308 15.815 4.405 126 2HB ALA 16 2HB ALA 16 10.033 16.164 2.836 127 3HB ALA 16 3HB ALA 16 8.314 15.785 2.949 128 H ALA 17 H ALA 17 9.964 11.872 4.296 129 HA ALA 17 HA ALA 17 7.289 11.754 5.467 130 1HB ALA 17 1HB ALA 17 8.472 9.522 3.819 131 2HB ALA 17 2HB ALA 17 6.955 9.455 4.717 132 3HB ALA 17 3HB ALA 17 7.120 10.551 3.344 133 H ASP 18 H ASP 18 7.257 10.833 7.446 134 HA ASP 18 HA ASP 18 9.698 9.451 8.355 135 1HB ASP 18 1HB ASP 18 9.584 10.533 10.491 136 2HB ASP 18 2HB ASP 18 9.478 11.801 9.274 137 H GLY 19 H GLY 19 6.241 9.916 8.698 138 1HA GLY 19 1HA GLY 19 5.205 7.518 8.949 139 2HA GLY 19 2HA GLY 19 6.044 7.627 10.493 140 H ARG 20 H ARG 20 5.655 10.412 10.908 141 HA ARG 20 HA ARG 20 2.818 10.397 11.607 142 1HB ARG 20 1HB ARG 20 4.977 12.344 12.437 143 2HB ARG 20 2HB ARG 20 3.338 12.276 13.070 144 1HG ARG 20 1HG ARG 20 3.910 9.882 13.774 145 2HG ARG 20 2HG ARG 20 5.589 10.345 13.490 146 1HD ARG 20 1HD ARG 20 3.645 11.621 15.404 147 2HD ARG 20 2HD ARG 20 5.056 10.649 15.817 148 HE ARG 20 HE ARG 20 6.251 12.601 14.516 149 1HH1 ARG 20 1HH1 ARG 20 3.566 12.804 16.731 150 2HH1 ARG 20 2HH1 ARG 20 3.994 14.368 17.344 151 1HH2 ARG 20 1HH2 ARG 20 6.862 14.667 15.319 152 2HH2 ARG 20 2HH2 ARG 20 5.878 15.429 16.531 153 H HIS 21 H HIS 21 4.959 11.754 9.307 154 HA HIS 21 HA HIS 21 2.630 13.019 8.100 155 1HB HIS 21 1HB HIS 21 3.464 15.144 7.887 156 2HB HIS 21 2HB HIS 21 4.205 14.702 9.410 157 HD1 HIS 21 HD1 HIS 21 6.791 13.585 8.967 158 HD2 HIS 21 HD2 HIS 21 5.213 16.249 6.183 159 HE1 HIS 21 HE1 HIS 21 8.764 14.494 7.692 160 HE2 HIS 21 HE2 HIS 21 7.797 16.250 6.161 161 H ALA 22 H ALA 22 2.932 13.461 5.817 162 HA ALA 22 HA ALA 22 5.215 12.239 4.505 163 1HB ALA 22 1HB ALA 22 3.860 10.759 3.114 164 2HB ALA 22 2HB ALA 22 3.697 10.345 4.821 165 3HB ALA 22 3HB ALA 22 2.413 11.235 4.003 166 H LYS 23 H LYS 23 5.819 13.731 3.085 167 HA LYS 23 HA LYS 23 3.760 15.419 1.846 168 1HB LYS 23 1HB LYS 23 5.653 16.525 3.037 169 2HB LYS 23 2HB LYS 23 6.760 15.805 1.877 170 1HG LYS 23 1HG LYS 23 5.839 17.082 0.086 171 2HG LYS 23 2HG LYS 23 4.517 17.657 1.106 172 1HD LYS 23 1HD LYS 23 6.218 18.759 2.563 173 2HD LYS 23 2HD LYS 23 7.451 18.303 1.388 174 1HE LYS 23 1HE LYS 23 5.030 19.964 0.717 175 2HE LYS 23 2HE LYS 23 6.585 20.650 1.177 176 1HZ LYS 23 1HZ LYS 23 6.344 20.582 -1.215 177 2HZ LYS 23 2HZ LYS 23 7.589 19.543 -0.728 178 3HZ LYS 23 3HZ LYS 23 6.085 18.909 -1.180 179 H VAL 24 H VAL 24 3.009 14.488 0.066 180 HA VAL 24 HA VAL 24 4.776 12.965 -1.674 181 HB VAL 24 HB VAL 24 1.823 13.505 -2.035 182 1HG1 VAL 24 1HG1 VAL 24 2.958 12.774 -4.060 183 2HG1 VAL 24 2HG1 VAL 24 3.631 11.389 -3.200 184 3HG1 VAL 24 3HG1 VAL 24 1.890 11.509 -3.456 185 1HG2 VAL 24 1HG2 VAL 24 1.445 11.296 -1.041 186 2HG2 VAL 24 2HG2 VAL 24 3.167 11.170 -0.678 187 3HG2 VAL 24 3HG2 VAL 24 2.189 12.409 0.106 188 H ASN 25 H ASN 25 6.079 14.555 -2.515 189 HA ASN 25 HA ASN 25 6.793 16.148 -3.943 190 1HB ASN 25 1HB ASN 25 4.193 15.444 -5.299 191 2HB ASN 25 2HB ASN 25 5.328 16.606 -5.977 192 1HD2 ASN 25 2HD2 ASN 25 5.686 15.350 -7.788 193 2HD2 ASN 25 1HD2 ASN 25 6.613 13.893 -7.741 194 H GLU 26 H GLU 26 3.440 17.097 -4.439 195 HA GLU 26 HA GLU 26 4.155 19.724 -3.346 196 1HB GLU 26 1HB GLU 26 2.254 18.842 -5.484 197 2HB GLU 26 2HB GLU 26 2.012 20.386 -4.677 198 1HG GLU 26 1HG GLU 26 4.526 19.559 -6.110 199 2HG GLU 26 2HG GLU 26 3.261 20.591 -6.779 200 H GLN 27 H GLN 27 2.164 17.014 -2.700 201 HA GLN 27 HA GLN 27 0.419 18.687 -1.015 202 1HB GLN 27 1HB GLN 27 -0.152 15.954 -2.170 203 2HB GLN 27 2HB GLN 27 -1.225 16.844 -1.100 204 1HG GLN 27 1HG GLN 27 -1.178 18.680 -2.873 205 2HG GLN 27 2HG GLN 27 -0.476 17.459 -3.933 206 1HE2 GLN 27 2HE2 GLN 27 -2.036 15.321 -2.607 207 2HE2 GLN 27 1HE2 GLN 27 -3.657 15.480 -3.204 208 H ILE 28 H ILE 28 0.682 18.551 1.090 209 HA ILE 28 HA ILE 28 2.185 16.348 2.255 210 HB ILE 28 HB ILE 28 0.872 18.685 3.660 211 1HG1 ILE 28 1HG1 ILE 28 3.755 18.347 2.796 212 2HG1 ILE 28 2HG1 ILE 28 2.583 19.402 2.014 213 1HG2 ILE 28 1HG2 ILE 28 2.402 18.124 5.496 214 2HG2 ILE 28 2HG2 ILE 28 1.310 16.790 5.123 215 3HG2 ILE 28 3HG2 ILE 28 2.986 16.736 4.576 216 1HD1 ILE 28 1HD1 ILE 28 3.551 19.648 4.851 217 2HD1 ILE 28 2HD1 ILE 28 4.067 20.642 3.488 218 3HD1 ILE 28 3HD1 ILE 28 2.398 20.717 4.054 219 H LEU 29 H LEU 29 1.053 14.506 2.454 220 HA LEU 29 HA LEU 29 -1.784 14.701 3.172 221 1HB LEU 29 1HB LEU 29 -0.283 12.378 1.961 222 2HB LEU 29 2HB LEU 29 -2.008 12.441 2.270 223 HG LEU 29 HG LEU 29 -0.508 14.166 0.293 224 1HD1 LEU 29 1HD1 LEU 29 -0.715 11.838 -0.412 225 2HD1 LEU 29 2HD1 LEU 29 -2.456 11.909 -0.138 226 3HD1 LEU 29 3HD1 LEU 29 -1.720 12.903 -1.395 227 1HD2 LEU 29 1HD2 LEU 29 -2.402 15.348 1.287 228 2HD2 LEU 29 2HD2 LEU 29 -2.713 14.945 -0.400 229 3HD2 LEU 29 3HD2 LEU 29 -3.461 13.997 0.885 230 H GLN 30 H GLN 30 -1.827 14.745 5.339 231 HA GLN 30 HA GLN 30 -0.372 12.693 6.832 232 1HB GLN 30 1HB GLN 30 -0.255 15.092 7.577 233 2HB GLN 30 2HB GLN 30 -1.979 15.024 7.907 234 1HG GLN 30 1HG GLN 30 -1.632 13.334 9.595 235 2HG GLN 30 2HG GLN 30 0.088 13.271 9.212 236 1HE2 GLN 30 2HE2 GLN 30 0.697 13.820 11.288 237 2HE2 GLN 30 1HE2 GLN 30 0.480 15.409 11.934 238 H GLN 31 H GLN 31 -1.869 11.251 5.647 239 HA GLN 31 HA GLN 31 -4.123 10.510 7.280 240 1HB GLN 31 1HB GLN 31 -5.678 10.549 5.248 241 2HB GLN 31 2HB GLN 31 -5.312 12.102 5.989 242 1HG GLN 31 1HG GLN 31 -3.590 12.478 4.256 243 2HG GLN 31 2HG GLN 31 -4.073 10.968 3.489 244 1HE2 GLN 31 2HE2 GLN 31 -4.598 12.085 1.598 245 2HE2 GLN 31 1HE2 GLN 31 -6.032 13.039 1.463 246 H SER 32 H SER 32 -5.371 8.775 5.536 247 HA SER 32 HA SER 32 -3.208 6.956 4.738 248 1HB SER 32 1HB SER 32 -6.120 6.277 5.230 249 2HB SER 32 2HB SER 32 -4.787 5.144 5.010 250 HG SER 32 HG SER 32 -5.070 5.270 7.177 251 H PHE 33 H PHE 33 -2.929 6.573 2.612 252 HA PHE 33 HA PHE 33 -5.134 7.045 0.767 253 1HB PHE 33 1HB PHE 33 -3.765 8.530 -0.666 254 2HB PHE 33 2HB PHE 33 -4.109 9.239 0.907 255 HD1 PHE 33 HD1 PHE 33 -2.334 9.480 2.575 256 HD2 PHE 33 HD2 PHE 33 -1.533 7.969 -1.324 257 HE1 PHE 33 HE1 PHE 33 0.067 9.892 2.913 258 HE2 PHE 33 HE2 PHE 33 0.870 8.377 -0.991 259 HZ PHE 33 HZ PHE 33 1.671 9.340 1.128 260 H ILE 34 H ILE 34 -4.629 6.373 -1.444 261 HA ILE 34 HA ILE 34 -2.702 4.140 -1.453 262 HB ILE 34 HB ILE 34 -5.152 4.427 -3.200 263 1HG1 ILE 34 1HG1 ILE 34 -4.809 2.658 -0.770 264 2HG1 ILE 34 2HG1 ILE 34 -5.704 4.173 -0.767 265 1HG2 ILE 34 1HG2 ILE 34 -4.766 2.051 -3.682 266 2HG2 ILE 34 2HG2 ILE 34 -3.395 3.052 -4.164 267 3HG2 ILE 34 3HG2 ILE 34 -3.312 2.093 -2.686 268 1HD1 ILE 34 1HD1 ILE 34 -7.195 2.275 -0.950 269 2HD1 ILE 34 2HD1 ILE 34 -7.253 3.252 -2.416 270 3HD1 ILE 34 3HD1 ILE 34 -6.356 1.734 -2.405 271 H LEU 35 H LEU 35 -0.972 4.499 -2.680 272 HA LEU 35 HA LEU 35 -1.179 6.471 -4.849 273 1HB LEU 35 1HB LEU 35 0.468 7.010 -3.143 274 2HB LEU 35 2HB LEU 35 1.228 5.444 -3.345 275 HG LEU 35 HG LEU 35 1.892 6.071 -5.639 276 1HD1 LEU 35 1HD1 LEU 35 1.671 8.382 -6.383 277 2HD1 LEU 35 2HD1 LEU 35 0.090 7.641 -6.127 278 3HD1 LEU 35 3HD1 LEU 35 0.741 8.767 -4.935 279 1HD2 LEU 35 1HD2 LEU 35 2.730 8.033 -3.508 280 2HD2 LEU 35 2HD2 LEU 35 3.434 6.444 -3.796 281 3HD2 LEU 35 3HD2 LEU 35 3.596 7.712 -5.010 282 H MET 36 H MET 36 -1.361 5.684 -6.804 283 HA MET 36 HA MET 36 0.065 3.199 -7.488 284 1HB MET 36 1HB MET 36 -2.407 4.369 -8.800 285 2HB MET 36 2HB MET 36 -1.598 2.884 -9.280 286 1HG MET 36 1HG MET 36 -2.158 1.866 -7.147 287 2HG MET 36 2HG MET 36 -2.932 3.361 -6.625 288 1HE MET 36 1HE MET 36 -3.019 1.572 -10.152 289 2HE MET 36 2HE MET 36 -4.503 0.632 -9.999 290 3HE MET 36 3HE MET 36 -3.110 0.253 -8.985 291 HA PRO 37 HA PRO 37 2.538 5.656 -10.162 292 1HB PRO 37 1HB PRO 37 3.197 3.889 -12.106 293 2HB PRO 37 2HB PRO 37 3.828 3.783 -10.458 294 1HG PRO 37 1HG PRO 37 1.587 2.266 -11.734 295 2HG PRO 37 2HG PRO 37 2.870 1.676 -10.662 296 1HD PRO 37 1HD PRO 37 0.348 2.210 -9.802 297 2HD PRO 37 2HD PRO 37 1.779 2.379 -8.765 298 H ASP 38 H ASP 38 -0.289 5.988 -10.656 299 HA ASP 38 HA ASP 38 -0.188 7.308 -13.136 300 1HB ASP 38 1HB ASP 38 -1.664 6.039 -14.521 301 2HB ASP 38 2HB ASP 38 -0.424 4.923 -13.962 302 H GLU 39 H GLU 39 -2.083 5.916 -10.549 303 HA GLU 39 HA GLU 39 -3.836 8.268 -10.637 304 1HB GLU 39 1HB GLU 39 -5.089 6.420 -11.588 305 2HB GLU 39 2HB GLU 39 -4.692 5.400 -10.213 306 1HG GLU 39 1HG GLU 39 -6.028 6.739 -8.752 307 2HG GLU 39 2HG GLU 39 -6.298 7.933 -10.021 308 H LEU 40 H LEU 40 -4.404 9.119 -8.676 309 HA LEU 40 HA LEU 40 -3.200 7.845 -6.315 310 1HB LEU 40 1HB LEU 40 -2.061 9.912 -6.876 311 2HB LEU 40 2HB LEU 40 -3.584 10.776 -6.931 312 HG LEU 40 HG LEU 40 -3.870 10.407 -4.505 313 1HD1 LEU 40 1HD1 LEU 40 -2.602 8.341 -4.280 314 2HD1 LEU 40 2HD1 LEU 40 -1.109 9.201 -4.661 315 3HD1 LEU 40 3HD1 LEU 40 -1.991 9.578 -3.180 316 1HD2 LEU 40 1HD2 LEU 40 -2.110 11.948 -3.774 317 2HD2 LEU 40 2HD2 LEU 40 -1.252 11.683 -5.291 318 3HD2 LEU 40 3HD2 LEU 40 -2.836 12.460 -5.298 319 H VAL 41 H VAL 41 -4.610 7.125 -4.891 320 HA VAL 41 HA VAL 41 -7.289 8.319 -4.765 321 HB VAL 41 HB VAL 41 -6.256 5.833 -3.377 322 1HG1 VAL 41 1HG1 VAL 41 -8.112 6.869 -2.199 323 2HG1 VAL 41 2HG1 VAL 41 -9.060 6.900 -3.686 324 3HG1 VAL 41 3HG1 VAL 41 -8.622 5.357 -2.950 325 1HG2 VAL 41 1HG2 VAL 41 -7.953 6.078 -5.858 326 2HG2 VAL 41 2HG2 VAL 41 -6.280 5.525 -5.793 327 3HG2 VAL 41 3HG2 VAL 41 -7.554 4.573 -5.030 328 H GLU 42 H GLU 42 -7.243 10.086 -3.523 329 HA GLU 42 HA GLU 42 -5.240 10.408 -1.483 330 1HB GLU 42 1HB GLU 42 -7.521 12.197 -2.331 331 2HB GLU 42 2HB GLU 42 -6.261 12.649 -1.193 332 1HG GLU 42 1HG GLU 42 -4.581 12.393 -2.947 333 2HG GLU 42 2HG GLU 42 -5.845 11.931 -4.086 334 H HIS 43 H HIS 43 -8.661 9.663 -1.568 335 HA HIS 43 HA HIS 43 -8.763 10.039 1.349 336 1HB HIS 43 1HB HIS 43 -11.083 9.966 -0.590 337 2HB HIS 43 2HB HIS 43 -11.175 10.299 1.137 338 HD1 HIS 43 HD1 HIS 43 -9.952 12.586 1.919 339 HD2 HIS 43 HD2 HIS 43 -10.636 12.144 -2.162 340 HE1 HIS 43 HE1 HIS 43 -9.717 14.890 0.934 341 HE2 HIS 43 HE2 HIS 43 -10.254 14.618 -1.515 342 H TRP 44 H TRP 44 -7.963 8.046 1.953 343 HA TRP 44 HA TRP 44 -9.965 5.912 1.716 344 1HB TRP 44 1HB TRP 44 -8.002 5.416 0.248 345 2HB TRP 44 2HB TRP 44 -6.969 5.462 1.671 346 HD1 TRP 44 HD1 TRP 44 -10.281 3.563 0.878 347 HE1 TRP 44 HE1 TRP 44 -9.947 1.096 1.545 348 HE3 TRP 44 HE3 TRP 44 -5.442 3.819 2.515 349 HZ2 TRP 44 HZ2 TRP 44 -7.893 -0.522 2.611 350 HZ3 TRP 44 HZ3 TRP 44 -4.366 1.764 3.337 351 HH2 TRP 44 HH2 TRP 44 -5.569 -0.359 3.383 352 HA PRO 45 HA PRO 45 -9.156 7.185 6.062 353 1HB PRO 45 1HB PRO 45 -11.951 6.346 6.424 354 2HB PRO 45 2HB PRO 45 -11.186 7.896 6.785 355 1HG PRO 45 1HG PRO 45 -12.898 7.616 4.737 356 2HG PRO 45 2HG PRO 45 -11.494 8.695 4.640 357 1HD PRO 45 1HD PRO 45 -11.844 5.939 3.516 358 2HD PRO 45 2HD PRO 45 -11.117 7.375 2.764 359 H VAL 46 H VAL 46 -7.780 5.361 6.317 360 HA VAL 46 HA VAL 46 -9.083 3.246 7.876 361 HB VAL 46 HB VAL 46 -6.938 2.807 5.783 362 1HG1 VAL 46 1HG1 VAL 46 -6.945 0.453 6.473 363 2HG1 VAL 46 2HG1 VAL 46 -6.397 1.510 7.774 364 3HG1 VAL 46 3HG1 VAL 46 -8.032 0.851 7.804 365 1HG2 VAL 46 1HG2 VAL 46 -9.719 1.674 6.076 366 2HG2 VAL 46 2HG2 VAL 46 -9.209 2.887 4.902 367 3HG2 VAL 46 3HG2 VAL 46 -8.561 1.248 4.814 368 HA PRO 47 HA PRO 47 -5.823 5.027 10.462 369 1HB PRO 47 1HB PRO 47 -7.375 4.123 12.723 370 2HB PRO 47 2HB PRO 47 -7.080 5.775 12.182 371 1HG PRO 47 1HG PRO 47 -9.527 4.556 12.074 372 2HG PRO 47 2HG PRO 47 -9.030 5.869 10.993 373 1HD PRO 47 1HD PRO 47 -9.091 2.916 10.487 374 2HD PRO 47 2HD PRO 47 -9.548 4.254 9.410 375 H SER 48 H SER 48 -4.201 3.562 10.109 376 HA SER 48 HA SER 48 -2.712 1.933 10.636 377 1HB SER 48 1HB SER 48 -4.392 1.593 13.135 378 2HB SER 48 2HB SER 48 -2.751 0.989 12.898 379 HG SER 48 HG SER 48 -3.423 3.731 12.683 380 H LEU 49 H LEU 49 -2.809 -0.556 11.649 381 HA LEU 49 HA LEU 49 -4.703 -1.922 9.905 382 1HB LEU 49 1HB LEU 49 -2.487 -3.048 11.628 383 2HB LEU 49 2HB LEU 49 -3.434 -3.946 10.457 384 HG LEU 49 HG LEU 49 -1.466 -1.736 9.863 385 1HD1 LEU 49 1HD1 LEU 49 -0.419 -3.854 10.407 386 2HD1 LEU 49 2HD1 LEU 49 -1.437 -4.682 9.228 387 3HD1 LEU 49 3HD1 LEU 49 -0.242 -3.500 8.689 388 1HD2 LEU 49 1HD2 LEU 49 -1.929 -2.191 7.504 389 2HD2 LEU 49 2HD2 LEU 49 -3.212 -3.306 7.971 390 3HD2 LEU 49 3HD2 LEU 49 -3.358 -1.589 8.343 391 H GLY 50 H GLY 50 -5.849 -3.861 10.839 392 1HA GLY 50 1HA GLY 50 -6.599 -4.718 13.123 393 2HA GLY 50 2HA GLY 50 -6.985 -3.030 13.429 394 H GLN 51 H GLN 51 -8.555 -2.004 11.928 395 HA GLN 51 HA GLN 51 -10.713 -3.870 11.402 396 1HB GLN 51 1HB GLN 51 -12.005 -1.774 10.799 397 2HB GLN 51 2HB GLN 51 -11.483 -1.927 12.465 398 1HG GLN 51 1HG GLN 51 -11.217 0.338 11.736 399 2HG GLN 51 2HG GLN 51 -9.633 -0.377 12.010 400 1HE2 GLN 51 2HE2 GLN 51 -8.209 -0.517 10.353 401 2HE2 GLN 51 1HE2 GLN 51 -8.512 0.113 8.770 402 H LEU 52 H LEU 52 -8.135 -3.401 9.753 403 HA LEU 52 HA LEU 52 -9.126 -2.762 7.143 404 1HB LEU 52 1HB LEU 52 -6.766 -2.403 7.768 405 2HB LEU 52 2HB LEU 52 -6.561 -4.133 7.965 406 HG LEU 52 HG LEU 52 -7.013 -4.461 5.567 407 1HD1 LEU 52 1HD1 LEU 52 -7.103 -1.450 5.466 408 2HD1 LEU 52 2HD1 LEU 52 -7.089 -2.527 4.069 409 3HD1 LEU 52 3HD1 LEU 52 -8.458 -2.544 5.182 410 1HD2 LEU 52 1HD2 LEU 52 -4.930 -3.503 4.731 411 2HD2 LEU 52 2HD2 LEU 52 -4.844 -2.449 6.143 412 3HD2 LEU 52 3HD2 LEU 52 -4.715 -4.197 6.338 413 H GLN 53 H GLN 53 -10.411 -4.040 6.068 414 HA GLN 53 HA GLN 53 -9.971 -6.924 6.019 415 1HB GLN 53 1HB GLN 53 -12.585 -5.583 6.750 416 2HB GLN 53 2HB GLN 53 -12.458 -7.271 6.275 417 1HG GLN 53 1HG GLN 53 -11.109 -7.764 8.198 418 2HG GLN 53 2HG GLN 53 -11.041 -6.057 8.635 419 1HE2 GLN 53 2HE2 GLN 53 -11.943 -6.459 10.649 420 2HE2 GLN 53 1HE2 GLN 53 -13.624 -6.815 10.849 421 HA PRO 54 HA PRO 54 -10.934 -6.715 1.701 422 1HB PRO 54 1HB PRO 54 -13.281 -8.501 2.114 423 2HB PRO 54 2HB PRO 54 -11.924 -8.665 0.995 424 1HG PRO 54 1HG PRO 54 -12.055 -10.163 3.190 425 2HG PRO 54 2HG PRO 54 -10.506 -9.501 2.631 426 1HD PRO 54 1HD PRO 54 -12.252 -8.609 4.885 427 2HD PRO 54 2HD PRO 54 -10.479 -8.654 4.777 428 H ALA 55 H ALA 55 -13.549 -6.173 3.952 429 HA ALA 55 HA ALA 55 -15.384 -5.012 2.116 430 1HB ALA 55 1HB ALA 55 -15.169 -4.642 5.102 431 2HB ALA 55 2HB ALA 55 -16.560 -4.226 4.100 432 3HB ALA 55 3HB ALA 55 -16.077 -5.912 4.282 433 H HIS 56 H HIS 56 -12.675 -3.780 3.947 434 HA HIS 56 HA HIS 56 -13.362 -1.025 3.185 435 1HB HIS 56 1HB HIS 56 -11.370 -2.076 5.210 436 2HB HIS 56 2HB HIS 56 -11.579 -0.373 4.821 437 HD1 HIS 56 HD1 HIS 56 -12.189 -2.056 7.606 438 HD2 HIS 56 HD2 HIS 56 -14.892 -0.322 4.958 439 HE1 HIS 56 HE1 HIS 56 -14.281 -1.649 8.938 440 HE2 HIS 56 HE2 HIS 56 -15.921 -0.638 7.311 441 H MET 57 H MET 57 -11.208 -3.609 2.573 442 HA MET 57 HA MET 57 -9.277 -1.925 1.164 443 1HB MET 57 1HB MET 57 -8.609 -3.809 2.736 444 2HB MET 57 2HB MET 57 -9.232 -4.926 1.533 445 1HG MET 57 1HG MET 57 -7.606 -4.136 -0.079 446 2HG MET 57 2HG MET 57 -7.001 -2.957 1.086 447 1HE MET 57 1HE MET 57 -4.046 -5.486 0.978 448 2HE MET 57 2HE MET 57 -4.535 -3.797 0.843 449 3HE MET 57 3HE MET 57 -5.048 -4.964 -0.376 450 H ASP 58 H ASP 58 -12.176 -3.019 0.473 451 HA ASP 58 HA ASP 58 -12.141 -4.711 -1.691 452 1HB ASP 58 1HB ASP 58 -14.199 -4.005 -0.575 453 2HB ASP 58 2HB ASP 58 -14.003 -2.375 -1.216 454 H ALA 59 H ALA 59 -11.959 -1.166 -1.762 455 HA ALA 59 HA ALA 59 -11.899 -0.804 -4.512 456 1HB ALA 59 1HB ALA 59 -10.858 1.352 -4.062 457 2HB ALA 59 2HB ALA 59 -12.156 1.028 -2.912 458 3HB ALA 59 3HB ALA 59 -10.473 0.833 -2.421 459 H VAL 60 H VAL 60 -9.244 -1.469 -2.275 460 HA VAL 60 HA VAL 60 -7.120 -1.119 -4.087 461 HB VAL 60 HB VAL 60 -7.189 -2.995 -1.716 462 1HG1 VAL 60 1HG1 VAL 60 -5.286 -3.372 -3.173 463 2HG1 VAL 60 2HG1 VAL 60 -4.882 -1.657 -3.119 464 3HG1 VAL 60 3HG1 VAL 60 -4.767 -2.637 -1.656 465 1HG2 VAL 60 1HG2 VAL 60 -6.453 -0.073 -1.825 466 2HG2 VAL 60 2HG2 VAL 60 -7.875 -0.764 -1.041 467 3HG2 VAL 60 3HG2 VAL 60 -6.263 -1.129 -0.425 468 H LEU 61 H LEU 61 -9.022 -3.960 -3.190 469 HA LEU 61 HA LEU 61 -7.545 -5.810 -4.756 470 1HB LEU 61 1HB LEU 61 -10.397 -5.987 -3.780 471 2HB LEU 61 2HB LEU 61 -9.434 -7.325 -4.376 472 HG LEU 61 HG LEU 61 -8.859 -5.730 -1.877 473 1HD1 LEU 61 1HD1 LEU 61 -10.828 -7.144 -1.643 474 2HD1 LEU 61 2HD1 LEU 61 -9.911 -8.534 -2.226 475 3HD1 LEU 61 3HD1 LEU 61 -9.481 -7.774 -0.693 476 1HD2 LEU 61 1HD2 LEU 61 -6.819 -6.551 -2.930 477 2HD2 LEU 61 2HD2 LEU 61 -7.159 -7.437 -1.443 478 3HD2 LEU 61 3HD2 LEU 61 -7.500 -8.176 -3.007 479 H ALA 62 H ALA 62 -10.200 -3.656 -5.417 480 HA ALA 62 HA ALA 62 -10.974 -4.921 -7.878 481 1HB ALA 62 1HB ALA 62 -12.473 -3.031 -8.148 482 2HB ALA 62 2HB ALA 62 -12.576 -3.672 -6.508 483 3HB ALA 62 3HB ALA 62 -11.675 -2.188 -6.819 484 H LEU 63 H LEU 63 -8.605 -2.592 -6.956 485 HA LEU 63 HA LEU 63 -8.406 -1.312 -9.520 486 1HB LEU 63 1HB LEU 63 -6.550 -1.304 -7.141 487 2HB LEU 63 2HB LEU 63 -6.329 -0.315 -8.572 488 HG LEU 63 HG LEU 63 -8.706 -0.152 -6.716 489 1HD1 LEU 63 1HD1 LEU 63 -7.743 1.967 -5.988 490 2HD1 LEU 63 2HD1 LEU 63 -6.668 0.616 -5.629 491 3HD1 LEU 63 3HD1 LEU 63 -6.327 1.675 -6.997 492 1HD2 LEU 63 1HD2 LEU 63 -9.229 1.891 -7.950 493 2HD2 LEU 63 2HD2 LEU 63 -7.869 1.591 -9.030 494 3HD2 LEU 63 3HD2 LEU 63 -9.239 0.481 -9.010 495 H ASN 64 H ASN 64 -7.497 -4.305 -8.436 496 HA ASN 64 HA ASN 64 -6.269 -5.999 -9.304 497 1HB ASN 64 1HB ASN 64 -7.126 -5.321 -11.492 498 2HB ASN 64 2HB ASN 64 -5.841 -4.129 -11.646 499 1HD2 ASN 64 2HD2 ASN 64 -6.630 -7.518 -11.673 500 2HD2 ASN 64 1HD2 ASN 64 -5.159 -8.061 -12.403 501 HA PRO 65 HA PRO 65 -2.254 -4.319 -8.041 502 1HB PRO 65 1HB PRO 65 -2.197 -5.342 -5.551 503 2HB PRO 65 2HB PRO 65 -3.045 -3.841 -5.932 504 1HG PRO 65 1HG PRO 65 -4.142 -6.477 -5.248 505 2HG PRO 65 2HG PRO 65 -4.923 -4.889 -5.198 506 1HD PRO 65 1HD PRO 65 -5.086 -6.934 -7.250 507 2HD PRO 65 2HD PRO 65 -5.998 -5.416 -7.120 508 H ALA 66 H ALA 66 -0.366 -5.378 -8.344 509 HA ALA 66 HA ALA 66 -0.390 -8.312 -8.372 510 1HB ALA 66 1HB ALA 66 1.750 -8.136 -9.547 511 2HB ALA 66 2HB ALA 66 0.499 -7.202 -10.366 512 3HB ALA 66 3HB ALA 66 1.706 -6.381 -9.376 513 H VAL 67 H VAL 67 1.099 -5.529 -6.875 514 HA VAL 67 HA VAL 67 1.870 -7.194 -4.614 515 HB VAL 67 HB VAL 67 3.927 -7.044 -5.916 516 1HG1 VAL 67 1HG1 VAL 67 3.473 -5.025 -7.182 517 2HG1 VAL 67 2HG1 VAL 67 3.606 -4.054 -5.715 518 3HG1 VAL 67 3HG1 VAL 67 5.022 -4.898 -6.347 519 1HG2 VAL 67 1HG2 VAL 67 5.392 -6.041 -4.216 520 2HG2 VAL 67 2HG2 VAL 67 3.983 -5.292 -3.463 521 3HG2 VAL 67 3HG2 VAL 67 4.132 -7.049 -3.503 522 H ILE 68 H ILE 68 1.416 -6.240 -2.719 523 HA ILE 68 HA ILE 68 0.549 -3.423 -2.808 524 HB ILE 68 HB ILE 68 -0.456 -5.586 -0.945 525 1HG1 ILE 68 1HG1 ILE 68 -1.841 -4.346 -3.333 526 2HG1 ILE 68 2HG1 ILE 68 -1.114 -5.949 -3.324 527 1HG2 ILE 68 1HG2 ILE 68 -2.198 -3.945 -0.386 528 2HG2 ILE 68 2HG2 ILE 68 -0.583 -3.353 0.008 529 3HG2 ILE 68 3HG2 ILE 68 -1.410 -2.766 -1.435 530 1HD1 ILE 68 1HD1 ILE 68 -3.405 -5.047 -1.595 531 2HD1 ILE 68 2HD1 ILE 68 -3.525 -6.052 -3.040 532 3HD1 ILE 68 3HD1 ILE 68 -2.687 -6.658 -1.611 533 H LEU 69 H LEU 69 1.605 -2.052 -1.546 534 HA LEU 69 HA LEU 69 3.353 -3.151 0.554 535 1HB LEU 69 1HB LEU 69 3.627 -0.581 -1.011 536 2HB LEU 69 2HB LEU 69 4.695 -1.092 0.280 537 HG LEU 69 HG LEU 69 4.335 -2.519 -2.358 538 1HD1 LEU 69 1HD1 LEU 69 6.609 -0.837 -1.309 539 2HD1 LEU 69 2HD1 LEU 69 6.606 -1.736 -2.825 540 3HD1 LEU 69 3HD1 LEU 69 5.494 -0.387 -2.600 541 1HD2 LEU 69 1HD2 LEU 69 4.878 -4.051 -0.537 542 2HD2 LEU 69 2HD2 LEU 69 6.244 -3.865 -1.638 543 3HD2 LEU 69 3HD2 LEU 69 6.245 -3.034 -0.083 544 H LEU 70 H LEU 70 2.688 -2.770 2.542 545 HA LEU 70 HA LEU 70 0.864 -0.529 3.041 546 1HB LEU 70 1HB LEU 70 1.425 -3.119 4.396 547 2HB LEU 70 2HB LEU 70 0.912 -1.779 5.395 548 HG LEU 70 HG LEU 70 -0.974 -3.202 4.793 549 1HD1 LEU 70 1HD1 LEU 70 -1.049 -0.507 3.449 550 2HD1 LEU 70 2HD1 LEU 70 -2.457 -1.479 3.877 551 3HD1 LEU 70 3HD1 LEU 70 -1.404 -0.845 5.142 552 1HD2 LEU 70 1HD2 LEU 70 -0.311 -2.467 1.947 553 2HD2 LEU 70 2HD2 LEU 70 -0.152 -4.066 2.674 554 3HD2 LEU 70 3HD2 LEU 70 -1.748 -3.339 2.479 555 H GLY 71 H GLY 71 1.625 1.271 3.916 556 1HA GLY 71 1HA GLY 71 4.132 1.106 5.475 557 2HA GLY 71 2HA GLY 71 3.616 2.528 4.575 558 H THR 72 H THR 72 3.506 0.899 7.568 559 HA THR 72 HA THR 72 1.269 2.551 8.486 560 HB THR 72 HB THR 72 1.423 1.119 10.570 561 HG1 THR 72 HG1 THR 72 3.455 0.231 10.422 562 1HG2 THR 72 1HG2 THR 72 0.311 -0.799 9.521 563 2HG2 THR 72 2HG2 THR 72 -0.255 0.725 8.836 564 3HG2 THR 72 3HG2 THR 72 0.893 -0.270 7.942 565 H GLY 73 H GLY 73 2.880 4.381 8.218 566 1HA GLY 73 1HA GLY 73 4.108 6.036 9.234 567 2HA GLY 73 2HA GLY 73 3.658 5.303 10.765 568 H GLU 74 H GLU 74 5.459 5.122 11.923 569 HA GLU 74 HA GLU 74 7.811 3.888 10.646 570 1HB GLU 74 1HB GLU 74 8.174 6.259 11.301 571 2HB GLU 74 2HB GLU 74 7.777 5.843 12.961 572 1HG GLU 74 1HG GLU 74 10.205 6.065 12.525 573 2HG GLU 74 2HG GLU 74 9.736 4.494 13.167 574 H ARG 75 H ARG 75 5.546 2.562 11.830 575 HA ARG 75 HA ARG 75 7.054 0.918 13.704 576 1HB ARG 75 1HB ARG 75 5.731 2.426 15.133 577 2HB ARG 75 2HB ARG 75 4.263 1.918 14.306 578 1HG ARG 75 1HG ARG 75 4.559 -0.346 15.120 579 2HG ARG 75 2HG ARG 75 6.072 0.117 15.899 580 1HD ARG 75 1HD ARG 75 4.864 1.670 17.336 581 2HD ARG 75 2HD ARG 75 3.349 1.235 16.543 582 HE ARG 75 HE ARG 75 4.371 -1.141 17.441 583 1HH1 ARG 75 1HH1 ARG 75 3.601 1.931 18.941 584 2HH1 ARG 75 2HH1 ARG 75 3.123 1.217 20.454 585 1HH2 ARG 75 1HH2 ARG 75 3.762 -2.076 19.440 586 2HH2 ARG 75 2HH2 ARG 75 3.235 -1.054 20.743 587 H GLN 76 H GLN 76 6.715 -1.211 13.393 588 HA GLN 76 HA GLN 76 5.163 -1.925 11.062 589 1HB GLN 76 1HB GLN 76 7.512 -2.846 12.122 590 2HB GLN 76 2HB GLN 76 6.383 -4.082 12.655 591 1HG GLN 76 1HG GLN 76 6.928 -3.224 9.826 592 2HG GLN 76 2HG GLN 76 7.364 -4.757 10.580 593 1HE2 GLN 76 2HE2 GLN 76 5.738 -6.272 11.011 594 2HE2 GLN 76 1HE2 GLN 76 4.196 -6.195 10.225 595 H GLN 77 H GLN 77 3.258 -2.974 11.032 596 HA GLN 77 HA GLN 77 2.128 -3.859 13.607 597 1HB GLN 77 1HB GLN 77 0.670 -2.494 11.330 598 2HB GLN 77 2HB GLN 77 -0.089 -3.131 12.781 599 1HG GLN 77 1HG GLN 77 1.103 -1.530 14.146 600 2HG GLN 77 2HG GLN 77 1.958 -0.925 12.728 601 1HE2 GLN 77 2HE2 GLN 77 1.190 1.150 13.003 602 2HE2 GLN 77 1HE2 GLN 77 -0.452 1.586 12.689 603 H PHE 78 H PHE 78 0.389 -5.515 13.331 604 HA PHE 78 HA PHE 78 1.137 -7.317 11.151 605 1HB PHE 78 1HB PHE 78 0.035 -9.094 12.498 606 2HB PHE 78 2HB PHE 78 1.371 -8.319 13.337 607 HD1 PHE 78 HD1 PHE 78 0.873 -6.660 15.145 608 HD2 PHE 78 HD2 PHE 78 -2.141 -9.097 13.385 609 HE1 PHE 78 HE1 PHE 78 -0.593 -6.233 17.075 610 HE2 PHE 78 HE2 PHE 78 -3.613 -8.671 15.308 611 HZ PHE 78 HZ PHE 78 -2.840 -7.238 17.158 612 HA PRO 79 HA PRO 79 -2.639 -6.238 9.069 613 1HB PRO 79 1HB PRO 79 -2.081 -8.713 7.548 614 2HB PRO 79 2HB PRO 79 -2.275 -7.056 6.967 615 1HG PRO 79 1HG PRO 79 0.125 -8.238 7.024 616 2HG PRO 79 2HG PRO 79 -0.068 -6.512 7.382 617 1HD PRO 79 1HD PRO 79 0.323 -8.806 9.263 618 2HD PRO 79 2HD PRO 79 1.018 -7.172 9.319 619 H SER 80 H SER 80 -4.744 -6.914 9.109 620 HA SER 80 HA SER 80 -5.542 -8.812 11.012 621 1HB SER 80 1HB SER 80 -7.211 -7.734 8.729 622 2HB SER 80 2HB SER 80 -7.786 -8.329 10.288 623 HG SER 80 HG SER 80 -7.687 -6.266 10.768 624 H THR 81 H THR 81 -6.438 -10.864 10.798 625 HA THR 81 HA THR 81 -5.217 -12.584 8.982 626 HB THR 81 HB THR 81 -7.261 -14.099 9.814 627 HG1 THR 81 HG1 THR 81 -8.505 -12.892 11.054 628 1HG2 THR 81 1HG2 THR 81 -4.991 -13.166 11.579 629 2HG2 THR 81 2HG2 THR 81 -5.918 -14.652 11.788 630 3HG2 THR 81 3HG2 THR 81 -4.895 -14.445 10.368 631 H ASP 82 H ASP 82 -8.291 -10.923 8.814 632 HA ASP 82 HA ASP 82 -9.509 -12.343 6.734 633 1HB ASP 82 1HB ASP 82 -9.679 -9.379 7.338 634 2HB ASP 82 2HB ASP 82 -10.804 -10.282 6.328 635 H VAL 83 H VAL 83 -7.263 -9.608 6.649 636 HA VAL 83 HA VAL 83 -7.250 -9.324 3.825 637 HB VAL 83 HB VAL 83 -5.115 -8.494 5.801 638 1HG1 VAL 83 1HG1 VAL 83 -5.692 -7.529 3.001 639 2HG1 VAL 83 2HG1 VAL 83 -4.480 -6.856 4.093 640 3HG1 VAL 83 3HG1 VAL 83 -4.315 -8.510 3.500 641 1HG2 VAL 83 1HG2 VAL 83 -6.203 -6.295 5.752 642 2HG2 VAL 83 2HG2 VAL 83 -7.487 -6.961 4.745 643 3HG2 VAL 83 3HG2 VAL 83 -7.269 -7.542 6.395 644 H LEU 84 H LEU 84 -5.230 -11.068 6.130 645 HA LEU 84 HA LEU 84 -3.223 -11.945 4.396 646 1HB LEU 84 1HB LEU 84 -4.383 -13.333 6.815 647 2HB LEU 84 2HB LEU 84 -2.881 -13.780 6.029 648 HG LEU 84 HG LEU 84 -3.424 -11.148 7.407 649 1HD1 LEU 84 1HD1 LEU 84 -1.823 -11.955 9.070 650 2HD1 LEU 84 2HD1 LEU 84 -3.248 -12.990 8.976 651 3HD1 LEU 84 3HD1 LEU 84 -1.735 -13.504 8.230 652 1HD2 LEU 84 1HD2 LEU 84 -0.906 -12.235 6.150 653 2HD2 LEU 84 2HD2 LEU 84 -1.880 -10.897 5.543 654 3HD2 LEU 84 3HD2 LEU 84 -1.029 -10.742 7.080 655 H ALA 85 H ALA 85 -6.362 -13.357 5.190 656 HA ALA 85 HA ALA 85 -6.099 -15.748 3.755 657 1HB ALA 85 1HB ALA 85 -8.531 -15.869 3.825 658 2HB ALA 85 2HB ALA 85 -7.884 -15.347 5.380 659 3HB ALA 85 3HB ALA 85 -8.614 -14.169 4.289 660 H ALA 86 H ALA 86 -7.512 -12.635 2.758 661 HA ALA 86 HA ALA 86 -8.158 -13.400 0.127 662 1HB ALA 86 1HB ALA 86 -7.498 -10.646 1.169 663 2HB ALA 86 2HB ALA 86 -8.333 -11.013 -0.341 664 3HB ALA 86 3HB ALA 86 -9.088 -11.408 1.203 665 H CYS 87 H CYS 87 -5.285 -11.888 1.502 666 HA CYS 87 HA CYS 87 -3.810 -11.400 -0.793 667 1HB CYS 87 1HB CYS 87 -3.003 -10.533 1.253 668 2HB CYS 87 2HB CYS 87 -3.022 -12.113 2.025 669 HG CYS 87 HG CYS 87 -0.854 -11.271 -0.490 670 H LEU 88 H LEU 88 -3.697 -14.294 1.276 671 HA LEU 88 HA LEU 88 -1.808 -15.642 -0.348 672 1HB LEU 88 1HB LEU 88 -3.704 -16.756 1.718 673 2HB LEU 88 2HB LEU 88 -2.321 -17.597 1.050 674 HG LEU 88 HG LEU 88 -2.186 -15.074 2.702 675 1HD1 LEU 88 1HD1 LEU 88 -1.525 -17.929 3.403 676 2HD1 LEU 88 2HD1 LEU 88 -1.233 -16.522 4.426 677 3HD1 LEU 88 3HD1 LEU 88 -2.884 -16.992 4.022 678 1HD2 LEU 88 1HD2 LEU 88 -0.004 -16.865 1.638 679 2HD2 LEU 88 2HD2 LEU 88 -0.368 -15.230 1.086 680 3HD2 LEU 88 3HD2 LEU 88 0.223 -15.496 2.725 681 H THR 89 H THR 89 -5.327 -15.731 -0.187 682 HA THR 89 HA THR 89 -5.644 -18.064 -1.751 683 HB THR 89 HB THR 89 -7.606 -15.803 -1.325 684 HG1 THR 89 HG1 THR 89 -7.167 -16.647 0.660 685 1HG2 THR 89 1HG2 THR 89 -8.223 -17.245 -3.212 686 2HG2 THR 89 2HG2 THR 89 -8.063 -18.666 -2.180 687 3HG2 THR 89 3HG2 THR 89 -9.320 -17.473 -1.849 688 H ARG 90 H ARG 90 -5.524 -14.619 -2.607 689 HA ARG 90 HA ARG 90 -6.077 -15.273 -5.382 690 1HB ARG 90 1HB ARG 90 -5.515 -12.620 -4.060 691 2HB ARG 90 2HB ARG 90 -5.881 -12.825 -5.768 692 1HG ARG 90 1HG ARG 90 -8.000 -14.079 -4.748 693 2HG ARG 90 2HG ARG 90 -7.661 -12.979 -3.410 694 1HD ARG 90 1HD ARG 90 -9.221 -11.939 -4.928 695 2HD ARG 90 2HD ARG 90 -7.675 -11.092 -5.003 696 HE ARG 90 HE ARG 90 -8.039 -13.177 -6.987 697 1HH1 ARG 90 1HH1 ARG 90 -8.379 -9.769 -6.256 698 2HH1 ARG 90 2HH1 ARG 90 -8.393 -9.278 -7.925 699 1HH2 ARG 90 1HH2 ARG 90 -8.053 -12.551 -9.165 700 2HH2 ARG 90 2HH2 ARG 90 -8.202 -10.870 -9.589 701 H GLY 91 H GLY 91 -3.337 -14.594 -3.364 702 1HA GLY 91 1HA GLY 91 -1.119 -15.100 -3.900 703 2HA GLY 91 2HA GLY 91 -1.592 -15.274 -5.585 704 H ILE 92 H ILE 92 -1.885 -12.614 -3.256 705 HA ILE 92 HA ILE 92 -0.412 -10.913 -5.165 706 HB ILE 92 HB ILE 92 -2.533 -10.005 -3.203 707 1HG1 ILE 92 1HG1 ILE 92 -2.726 -10.294 -6.213 708 2HG1 ILE 92 2HG1 ILE 92 -3.466 -11.387 -5.048 709 1HG2 ILE 92 1HG2 ILE 92 -2.402 -7.879 -4.420 710 2HG2 ILE 92 2HG2 ILE 92 -0.854 -8.307 -3.692 711 3HG2 ILE 92 3HG2 ILE 92 -1.110 -8.536 -5.422 712 1HD1 ILE 92 1HD1 ILE 92 -4.109 -8.465 -5.392 713 2HD1 ILE 92 2HD1 ILE 92 -5.096 -9.824 -5.930 714 3HD1 ILE 92 3HD1 ILE 92 -4.842 -9.545 -4.207 715 H GLY 93 H GLY 93 1.473 -10.166 -4.407 716 1HA GLY 93 1HA GLY 93 2.489 -10.819 -1.883 717 2HA GLY 93 2HA GLY 93 3.164 -9.604 -2.959 718 H LEU 94 H LEU 94 2.323 -9.934 0.069 719 HA LEU 94 HA LEU 94 1.180 -7.227 0.281 720 1HB LEU 94 1HB LEU 94 -0.521 -8.953 0.769 721 2HB LEU 94 2HB LEU 94 0.520 -9.609 2.017 722 HG LEU 94 HG LEU 94 0.355 -7.387 3.194 723 1HD1 LEU 94 1HD1 LEU 94 -1.509 -5.932 2.585 724 2HD1 LEU 94 2HD1 LEU 94 -0.321 -6.037 1.287 725 3HD1 LEU 94 3HD1 LEU 94 -1.832 -6.937 1.172 726 1HD2 LEU 94 1HD2 LEU 94 -2.202 -8.922 2.744 727 2HD2 LEU 94 2HD2 LEU 94 -0.933 -9.330 3.899 728 3HD2 LEU 94 3HD2 LEU 94 -1.867 -7.848 4.103 729 H GLU 95 H GLU 95 2.991 -6.134 0.863 730 HA GLU 95 HA GLU 95 4.609 -7.255 3.049 731 1HB GLU 95 1HB GLU 95 5.312 -5.186 0.964 732 2HB GLU 95 2HB GLU 95 6.370 -5.670 2.281 733 1HG GLU 95 1HG GLU 95 5.363 -7.438 0.065 734 2HG GLU 95 2HG GLU 95 6.992 -6.784 0.228 735 H ALA 96 H ALA 96 4.000 -6.485 4.955 736 HA ALA 96 HA ALA 96 3.115 -3.716 5.205 737 1HB ALA 96 1HB ALA 96 3.278 -5.897 7.286 738 2HB ALA 96 2HB ALA 96 2.552 -4.305 7.506 739 3HB ALA 96 3HB ALA 96 1.837 -5.451 6.372 740 H MET 97 H MET 97 4.547 -2.184 5.555 741 HA MET 97 HA MET 97 6.862 -2.681 7.273 742 1HB MET 97 1HB MET 97 7.024 -1.581 4.457 743 2HB MET 97 2HB MET 97 8.332 -1.485 5.625 744 1HG MET 97 1HG MET 97 8.430 -3.930 5.705 745 2HG MET 97 2HG MET 97 7.135 -4.011 4.512 746 1HE MET 97 1HE MET 97 8.833 -2.444 1.349 747 2HE MET 97 2HE MET 97 7.858 -1.613 2.560 748 3HE MET 97 3HE MET 97 7.382 -3.214 1.994 749 H THR 98 H THR 98 8.140 -0.318 6.979 750 HA THR 98 HA THR 98 6.229 1.628 7.994 751 HB THR 98 HB THR 98 8.286 2.970 8.474 752 HG1 THR 98 HG1 THR 98 10.268 1.507 8.336 753 1HG2 THR 98 1HG2 THR 98 9.093 1.515 10.287 754 2HG2 THR 98 2HG2 THR 98 7.333 1.501 10.178 755 3HG2 THR 98 3HG2 THR 98 8.266 0.144 9.548 756 H ASN 99 H ASN 99 6.613 3.957 7.230 757 HA ASN 99 HA ASN 99 6.085 4.093 4.462 758 1HB ASN 99 1HB ASN 99 6.898 6.301 6.367 759 2HB ASN 99 2HB ASN 99 6.293 6.558 4.734 760 1HD2 ASN 99 2HD2 ASN 99 5.130 7.584 7.092 761 2HD2 ASN 99 1HD2 ASN 99 3.553 6.897 7.241 762 H ALA 100 H ALA 100 9.005 4.665 6.348 763 HA ALA 100 HA ALA 100 10.593 5.649 4.223 764 1HB ALA 100 1HB ALA 100 11.175 5.970 6.577 765 2HB ALA 100 2HB ALA 100 11.471 4.240 6.740 766 3HB ALA 100 3HB ALA 100 12.492 5.214 5.681 767 H ALA 101 H ALA 101 10.104 2.394 5.535 768 HA ALA 101 HA ALA 101 12.048 1.144 3.883 769 1HB ALA 101 1HB ALA 101 11.056 -0.954 4.614 770 2HB ALA 101 2HB ALA 101 11.259 0.146 5.977 771 3HB ALA 101 3HB ALA 101 9.664 -0.086 5.263 772 H ALA 102 H ALA 102 8.567 1.671 3.584 773 HA ALA 102 HA ALA 102 8.191 0.102 1.265 774 1HB ALA 102 1HB ALA 102 6.073 1.276 1.030 775 2HB ALA 102 2HB ALA 102 6.346 0.814 2.709 776 3HB ALA 102 3HB ALA 102 6.596 2.484 2.203 777 H ALA 103 H ALA 103 9.188 3.426 1.764 778 HA ALA 103 HA ALA 103 8.895 4.372 -0.858 779 1HB ALA 103 1HB ALA 103 10.937 5.207 1.198 780 2HB ALA 103 2HB ALA 103 10.463 6.125 -0.231 781 3HB ALA 103 3HB ALA 103 9.295 5.837 1.058 782 H ARG 104 H ARG 104 11.544 2.620 0.690 783 HA ARG 104 HA ARG 104 13.418 2.912 -1.401 784 1HB ARG 104 1HB ARG 104 13.220 0.555 0.477 785 2HB ARG 104 2HB ARG 104 14.644 1.101 -0.392 786 1HG ARG 104 1HG ARG 104 14.432 3.255 0.956 787 2HG ARG 104 2HG ARG 104 13.303 2.356 1.973 788 1HD ARG 104 1HD ARG 104 16.226 1.864 1.510 789 2HD ARG 104 2HD ARG 104 15.373 2.092 3.035 790 HE ARG 104 HE ARG 104 14.337 -0.212 1.880 791 1HH1 ARG 104 1HH1 ARG 104 17.433 0.905 3.087 792 2HH1 ARG 104 2HH1 ARG 104 17.999 -0.693 3.484 793 1HH2 ARG 104 1HH2 ARG 104 15.085 -2.309 2.361 794 2HH2 ARG 104 2HH2 ARG 104 16.667 -2.530 3.052 795 H THR 105 H THR 105 11.061 0.363 -0.680 796 HA THR 105 HA THR 105 11.734 -1.266 -2.900 797 HB THR 105 HB THR 105 9.048 -1.200 -1.523 798 HG1 THR 105 HG1 THR 105 11.425 -2.546 -0.657 799 1HG2 THR 105 1HG2 THR 105 9.087 -3.612 -1.980 800 2HG2 THR 105 2HG2 THR 105 9.241 -2.676 -3.467 801 3HG2 THR 105 3HG2 THR 105 10.662 -3.438 -2.755 802 H TYR 106 H TYR 106 9.582 1.429 -2.405 803 HA TYR 106 HA TYR 106 7.919 1.121 -4.643 804 1HB TYR 106 1HB TYR 106 7.297 2.580 -2.832 805 2HB TYR 106 2HB TYR 106 8.722 3.579 -3.084 806 HD1 TYR 106 HD1 TYR 106 5.862 2.322 -5.159 807 HD2 TYR 106 HD2 TYR 106 8.319 5.613 -4.048 808 HE1 TYR 106 HE1 TYR 106 4.568 3.787 -6.655 809 HE2 TYR 106 HE2 TYR 106 7.036 7.081 -5.540 810 HH TYR 106 HH TYR 106 5.596 7.032 -7.373 811 H ASN 107 H ASN 107 10.979 2.942 -4.267 812 HA ASN 107 HA ASN 107 10.881 4.096 -6.842 813 1HB ASN 107 1HB ASN 107 12.849 5.090 -6.309 814 2HB ASN 107 2HB ASN 107 12.476 4.508 -4.695 815 1HD2 ASN 107 2HD2 ASN 107 14.488 4.122 -7.500 816 2HD2 ASN 107 1HD2 ASN 107 15.619 3.013 -6.787 817 H VAL 108 H VAL 108 11.885 0.974 -5.716 818 HA VAL 108 HA VAL 108 13.282 0.237 -8.114 819 HB VAL 108 HB VAL 108 12.153 -1.522 -5.926 820 1HG1 VAL 108 1HG1 VAL 108 12.527 -2.763 -7.986 821 2HG1 VAL 108 2HG1 VAL 108 14.173 -2.137 -8.079 822 3HG1 VAL 108 3HG1 VAL 108 13.712 -3.216 -6.761 823 1HG2 VAL 108 1HG2 VAL 108 14.933 -0.426 -6.323 824 2HG2 VAL 108 2HG2 VAL 108 13.794 0.041 -5.060 825 3HG2 VAL 108 3HG2 VAL 108 14.458 -1.592 -5.087 826 H LEU 109 H LEU 109 10.082 -0.433 -6.737 827 HA LEU 109 HA LEU 109 9.194 -2.080 -8.853 828 1HB LEU 109 1HB LEU 109 7.623 -0.475 -6.839 829 2HB LEU 109 2HB LEU 109 6.926 -1.671 -7.917 830 HG LEU 109 HG LEU 109 8.980 -2.223 -5.773 831 1HD1 LEU 109 1HD1 LEU 109 6.052 -2.913 -5.933 832 2HD1 LEU 109 2HD1 LEU 109 7.167 -3.417 -4.663 833 3HD1 LEU 109 3HD1 LEU 109 6.779 -1.708 -4.867 834 1HD2 LEU 109 1HD2 LEU 109 7.529 -4.106 -7.628 835 2HD2 LEU 109 2HD2 LEU 109 9.244 -3.701 -7.695 836 3HD2 LEU 109 3HD2 LEU 109 8.599 -4.576 -6.306 837 H ALA 110 H ALA 110 9.426 1.343 -8.520 838 HA ALA 110 HA ALA 110 7.606 2.174 -10.483 839 1HB ALA 110 1HB ALA 110 10.277 3.388 -9.770 840 2HB ALA 110 2HB ALA 110 8.981 4.189 -10.659 841 3HB ALA 110 3HB ALA 110 8.740 3.729 -8.975 842 H SER 111 H SER 111 11.001 1.168 -10.736 843 HA SER 111 HA SER 111 11.153 1.484 -13.558 844 1HB SER 111 1HB SER 111 12.851 -0.171 -11.675 845 2HB SER 111 2HB SER 111 13.249 0.176 -13.359 846 HG SER 111 HG SER 111 13.253 2.406 -12.817 847 H GLU 112 H GLU 112 10.225 -1.141 -11.435 848 HA GLU 112 HA GLU 112 10.132 -3.210 -13.310 849 1HB GLU 112 1HB GLU 112 8.480 -2.707 -10.831 850 2HB GLU 112 2HB GLU 112 8.533 -4.219 -11.708 851 1HG GLU 112 1HG GLU 112 10.903 -2.922 -10.404 852 2HG GLU 112 2HG GLU 112 9.941 -4.216 -9.691 853 H GLY 113 H GLY 113 7.850 -0.674 -12.434 854 1HA GLY 113 1HA GLY 113 6.059 0.185 -13.595 855 2HA GLY 113 2HA GLY 113 6.533 -0.819 -14.957 856 H ARG 114 H ARG 114 5.963 -2.286 -11.884 857 HA ARG 114 HA ARG 114 3.806 -3.833 -13.069 858 1HB ARG 114 1HB ARG 114 5.074 -4.142 -10.340 859 2HB ARG 114 2HB ARG 114 4.071 -5.318 -11.179 860 1HG ARG 114 1HG ARG 114 5.782 -5.577 -12.890 861 2HG ARG 114 2HG ARG 114 6.785 -4.376 -12.079 862 1HD ARG 114 1HD ARG 114 6.754 -5.867 -10.057 863 2HD ARG 114 2HD ARG 114 5.977 -7.093 -11.059 864 HE ARG 114 HE ARG 114 8.730 -6.103 -11.333 865 1HH1 ARG 114 1HH1 ARG 114 6.228 -8.380 -12.252 866 2HH1 ARG 114 2HH1 ARG 114 7.308 -9.367 -13.196 867 1HH2 ARG 114 1HH2 ARG 114 10.143 -7.390 -12.507 868 2HH2 ARG 114 2HH2 ARG 114 9.559 -8.810 -13.337 869 H ARG 115 H ARG 115 1.854 -4.299 -11.734 870 HA ARG 115 HA ARG 115 0.682 -1.873 -10.802 871 1HB ARG 115 1HB ARG 115 -0.230 -4.685 -11.100 872 2HB ARG 115 2HB ARG 115 -1.121 -3.657 -9.988 873 1HG ARG 115 1HG ARG 115 -0.621 -3.097 -12.904 874 2HG ARG 115 2HG ARG 115 -2.141 -3.641 -12.186 875 1HD ARG 115 1HD ARG 115 -2.218 -1.598 -10.831 876 2HD ARG 115 2HD ARG 115 -0.716 -1.053 -11.573 877 HE ARG 115 HE ARG 115 -2.886 -1.604 -13.414 878 1HH1 ARG 115 1HH1 ARG 115 -1.137 0.766 -11.546 879 2HH1 ARG 115 2HH1 ARG 115 -1.824 2.141 -12.366 880 1HH2 ARG 115 1HH2 ARG 115 -3.776 0.180 -14.548 881 2HH2 ARG 115 2HH2 ARG 115 -3.311 1.796 -14.093 882 H VAL 116 H VAL 116 1.993 -1.193 -9.138 883 HA VAL 116 HA VAL 116 1.974 -2.784 -6.690 884 HB VAL 116 HB VAL 116 4.147 -1.916 -7.287 885 1HG1 VAL 116 1HG1 VAL 116 2.898 0.829 -7.238 886 2HG1 VAL 116 2HG1 VAL 116 4.614 0.479 -7.442 887 3HG1 VAL 116 3HG1 VAL 116 3.458 -0.031 -8.673 888 1HG2 VAL 116 1HG2 VAL 116 2.981 -0.375 -4.972 889 2HG2 VAL 116 2HG2 VAL 116 3.645 -2.009 -4.912 890 3HG2 VAL 116 3HG2 VAL 116 4.700 -0.640 -5.266 891 H ALA 117 H ALA 117 0.685 -2.324 -5.044 892 HA ALA 117 HA ALA 117 -0.839 0.190 -5.127 893 1HB ALA 117 1HB ALA 117 -2.443 -0.912 -3.645 894 2HB ALA 117 2HB ALA 117 -2.198 -1.848 -5.118 895 3HB ALA 117 3HB ALA 117 -1.432 -2.357 -3.614 896 H LEU 118 H LEU 118 0.469 1.628 -4.107 897 HA LEU 118 HA LEU 118 1.785 0.863 -1.626 898 1HB LEU 118 1HB LEU 118 2.984 2.199 -3.334 899 2HB LEU 118 2HB LEU 118 1.823 3.494 -3.116 900 HG LEU 118 HG LEU 118 2.562 3.716 -0.757 901 1HD1 LEU 118 1HD1 LEU 118 4.678 1.728 -1.568 902 2HD1 LEU 118 2HD1 LEU 118 4.630 2.626 -0.052 903 3HD1 LEU 118 3HD1 LEU 118 3.374 1.442 -0.416 904 1HD2 LEU 118 1HD2 LEU 118 4.719 4.764 -1.269 905 2HD2 LEU 118 2HD2 LEU 118 4.731 3.960 -2.838 906 3HD2 LEU 118 3HD2 LEU 118 3.492 5.161 -2.471 907 H ALA 119 H ALA 119 0.366 0.755 0.004 908 HA ALA 119 HA ALA 119 -1.598 2.903 0.320 909 1HB ALA 119 1HB ALA 119 -2.444 0.609 0.432 910 2HB ALA 119 2HB ALA 119 -1.362 0.274 1.784 911 3HB ALA 119 3HB ALA 119 -2.665 1.450 1.966 912 H MET 120 H MET 120 -0.572 4.590 1.216 913 HA MET 120 HA MET 120 1.274 4.154 3.428 914 1HB MET 120 1HB MET 120 0.556 6.587 1.805 915 2HB MET 120 2HB MET 120 1.522 6.694 3.268 916 1HG MET 120 1HG MET 120 2.225 5.108 0.810 917 2HG MET 120 2HG MET 120 2.899 6.673 1.261 918 1HE MET 120 1HE MET 120 5.390 5.910 1.188 919 2HE MET 120 2HE MET 120 4.846 4.349 0.572 920 3HE MET 120 3HE MET 120 5.983 4.416 1.917 921 H ILE 121 H ILE 121 0.592 4.152 5.419 922 HA ILE 121 HA ILE 121 -1.814 5.705 6.107 923 HB ILE 121 HB ILE 121 -0.637 3.314 7.547 924 1HG1 ILE 121 1HG1 ILE 121 -3.181 3.569 5.923 925 2HG1 ILE 121 2HG1 ILE 121 -1.723 2.729 5.408 926 1HG2 ILE 121 1HG2 ILE 121 -3.150 4.891 8.096 927 2HG2 ILE 121 2HG2 ILE 121 -2.662 3.416 8.930 928 3HG2 ILE 121 3HG2 ILE 121 -1.690 4.880 9.083 929 1HD1 ILE 121 1HD1 ILE 121 -1.995 1.136 7.238 930 2HD1 ILE 121 2HD1 ILE 121 -3.457 1.979 7.750 931 3HD1 ILE 121 3HD1 ILE 121 -3.410 1.168 6.184 932 H VAL 122 H VAL 122 -1.406 7.498 7.207 933 HA VAL 122 HA VAL 122 1.212 7.868 8.397 934 HB VAL 122 HB VAL 122 -1.112 9.754 7.990 935 1HG1 VAL 122 1HG1 VAL 122 1.602 10.339 9.169 936 2HG1 VAL 122 2HG1 VAL 122 0.380 11.541 8.751 937 3HG1 VAL 122 3HG1 VAL 122 0.066 10.371 10.034 938 1HG2 VAL 122 1HG2 VAL 122 1.631 9.605 6.732 939 2HG2 VAL 122 2HG2 VAL 122 0.111 9.141 5.966 940 3HG2 VAL 122 3HG2 VAL 122 0.406 10.828 6.388 941 H GLY 123 H GLY 123 1.612 7.346 10.401 942 1HA GLY 123 1HA GLY 123 -0.597 7.002 12.291 943 2HA GLY 123 2HA GLY 123 1.035 6.382 12.480 944 H GLY 124 H GLY 124 -0.812 9.362 12.363 945 1HA GLY 124 1HA GLY 124 0.298 10.373 14.770 946 2HA GLY 124 2HA GLY 124 1.061 11.138 13.380 947 H LEU 125 H LEU 125 -2.250 10.086 14.090 948 HA LEU 125 HA LEU 125 -3.202 12.539 12.820 949 1HB LEU 125 1HB LEU 125 -4.704 10.057 13.661 950 2HB LEU 125 2HB LEU 125 -5.382 11.406 12.770 951 HG LEU 125 HG LEU 125 -3.201 9.571 11.769 952 1HD1 LEU 125 1HD1 LEU 125 -4.913 8.743 10.230 953 2HD1 LEU 125 2HD1 LEU 125 -5.351 8.440 11.912 954 3HD1 LEU 125 3HD1 LEU 125 -6.118 9.758 11.024 955 1HD2 LEU 125 1HD2 LEU 125 -4.704 11.789 10.384 956 2HD2 LEU 125 2HD2 LEU 125 -3.010 11.832 10.871 957 3HD2 LEU 125 3HD2 LEU 125 -3.542 10.700 9.628 958 H GLU 126 H GLU 126 -3.009 14.103 14.395 959 HA GLU 126 HA GLU 126 -4.191 13.827 16.992 960 1HB GLU 126 1HB GLU 126 -2.401 15.484 16.466 961 2HB GLU 126 2HB GLU 126 -3.540 16.348 15.443 962 1HG GLU 126 1HG GLU 126 -4.997 16.560 17.514 963 2HG GLU 126 2HG GLU 126 -3.580 16.035 18.423 964 H HIS 127 H HIS 127 -6.349 13.525 17.198 965 HA HIS 127 HA HIS 127 -8.118 15.005 15.377 966 1HB HIS 127 1HB HIS 127 -9.446 12.977 14.938 967 2HB HIS 127 2HB HIS 127 -7.797 12.819 14.351 968 HD1 HIS 127 HD1 HIS 127 -6.170 11.359 15.979 969 HD2 HIS 127 HD2 HIS 127 -10.267 10.939 16.557 970 HE1 HIS 127 HE1 HIS 127 -6.455 9.233 17.277 971 HE2 HIS 127 HE2 HIS 127 -8.941 8.875 17.391 972 H HIS 128 H HIS 128 -9.623 16.031 16.437 973 HA HIS 128 HA HIS 128 -11.238 16.590 17.918 974 1HB HIS 128 1HB HIS 128 -12.088 14.369 16.993 975 2HB HIS 128 2HB HIS 128 -11.516 13.640 18.489 976 HD1 HIS 128 HD1 HIS 128 -13.876 16.404 17.389 977 HD2 HIS 128 HD2 HIS 128 -13.349 13.690 20.493 978 HE1 HIS 128 HE1 HIS 128 -15.892 16.669 18.869 979 HE2 HIS 128 HE2 HIS 128 -15.411 15.210 20.868 980 H HIS 129 H HIS 129 -8.744 16.881 18.965 981 HA HIS 129 HA HIS 129 -8.663 15.645 21.591 982 1HB HIS 129 1HB HIS 129 -6.619 16.237 20.139 983 2HB HIS 129 2HB HIS 129 -6.902 17.902 20.635 984 HD1 HIS 129 HD1 HIS 129 -6.202 18.568 23.004 985 HD2 HIS 129 HD2 HIS 129 -5.761 14.505 22.210 986 HE1 HIS 129 HE1 HIS 129 -4.841 17.645 24.909 987 HE2 HIS 129 HE2 HIS 129 -4.473 15.214 24.342 988 H HIS 130 H HIS 130 -10.252 16.366 22.894 989 HA HIS 130 HA HIS 130 -10.863 19.245 22.854 990 1HB HIS 130 1HB HIS 130 -13.083 18.664 23.724 991 2HB HIS 130 2HB HIS 130 -12.754 17.845 22.205 992 HD1 HIS 130 HD1 HIS 130 -13.830 17.243 25.631 993 HD2 HIS 130 HD2 HIS 130 -12.083 15.016 22.581 994 HE1 HIS 130 HE1 HIS 130 -14.180 14.832 26.259 995 HE2 HIS 130 HE2 HIS 130 -12.948 13.513 24.499 996 H HIS 131 H HIS 131 -9.827 16.628 24.875 997 HA HIS 131 HA HIS 131 -10.125 18.314 27.254 998 1HB HIS 131 1HB HIS 131 -10.937 16.042 27.533 999 2HB HIS 131 2HB HIS 131 -9.391 15.388 27.000 1000 HD1 HIS 131 HD1 HIS 131 -10.890 17.350 29.880 1001 HD2 HIS 131 HD2 HIS 131 -7.535 15.057 28.986 1002 HE1 HIS 131 HE1 HIS 131 -9.641 17.098 32.048 1003 HE2 HIS 131 HE2 HIS 131 -7.519 15.886 31.431 1004 H HIS 132 H HIS 132 -8.480 19.386 28.061 1005 HA HIS 132 HA HIS 132 -5.763 18.466 27.482 1006 1HB HIS 132 1HB HIS 132 -5.023 20.777 27.006 1007 2HB HIS 132 2HB HIS 132 -6.194 20.202 25.830 1008 HD1 HIS 132 HD1 HIS 132 -5.399 23.092 27.705 1009 HD2 HIS 132 HD2 HIS 132 -8.958 21.223 26.644 1010 HE1 HIS 132 HE1 HIS 132 -7.186 24.841 27.967 1011 HE2 HIS 132 HE2 HIS 132 -9.348 23.619 27.544 Start of MODEL 12 1 1H MET 1 1HT MET 1 -6.249 29.765 -11.918 2 2H MET 1 2HT MET 1 -5.947 30.317 -10.346 3 3H MET 1 3HT MET 1 -6.746 28.839 -10.590 4 HA MET 1 HA MET 1 -4.463 28.485 -9.939 5 1HB MET 1 1HB MET 1 -3.871 26.918 -11.656 6 2HB MET 1 2HB MET 1 -5.623 26.924 -11.536 7 1HG MET 1 1HG MET 1 -4.012 28.374 -13.626 8 2HG MET 1 2HG MET 1 -4.837 26.834 -13.853 9 1HE MET 1 1HE MET 1 -5.963 27.969 -16.030 10 2HE MET 1 2HE MET 1 -5.180 29.507 -15.666 11 3HE MET 1 3HE MET 1 -6.918 29.451 -15.964 12 HA PRO 2 HA PRO 2 -1.580 31.427 -11.598 13 1HB PRO 2 1HB PRO 2 0.606 30.195 -10.278 14 2HB PRO 2 2HB PRO 2 -0.356 31.558 -9.705 15 1HG PRO 2 1HG PRO 2 -0.276 29.007 -8.566 16 2HG PRO 2 2HG PRO 2 -1.489 30.255 -8.242 17 1HD PRO 2 1HD PRO 2 -1.649 27.867 -10.015 18 2HD PRO 2 2HD PRO 2 -2.924 28.666 -9.069 19 H LEU 3 H LEU 3 -1.411 30.952 -13.768 20 HA LEU 3 HA LEU 3 0.158 28.684 -14.648 21 1HB LEU 3 1HB LEU 3 -1.826 29.501 -15.919 22 2HB LEU 3 2HB LEU 3 -0.952 30.981 -16.267 23 HG LEU 3 HG LEU 3 0.739 29.672 -17.509 24 1HD1 LEU 3 1HD1 LEU 3 0.268 27.333 -18.066 25 2HD1 LEU 3 2HD1 LEU 3 0.515 27.555 -16.333 26 3HD1 LEU 3 3HD1 LEU 3 -1.117 27.357 -16.972 27 1HD2 LEU 3 1HD2 LEU 3 -2.105 29.226 -18.405 28 2HD2 LEU 3 2HD2 LEU 3 -1.142 30.675 -18.693 29 3HD2 LEU 3 3HD2 LEU 3 -0.674 29.143 -19.432 30 H ASN 4 H ASN 4 1.991 29.398 -13.357 31 HA ASN 4 HA ASN 4 3.416 31.755 -14.335 32 1HB ASN 4 1HB ASN 4 3.134 31.551 -11.922 33 2HB ASN 4 2HB ASN 4 3.893 29.964 -11.943 34 1HD2 ASN 4 2HD2 ASN 4 5.526 30.482 -10.578 35 2HD2 ASN 4 1HD2 ASN 4 6.817 31.564 -11.000 36 H GLN 5 H GLN 5 4.162 28.362 -13.542 37 HA GLN 5 HA GLN 5 6.554 28.534 -15.211 38 1HB GLN 5 1HB GLN 5 5.652 26.332 -13.344 39 2HB GLN 5 2HB GLN 5 7.198 26.408 -14.176 40 1HG GLN 5 1HG GLN 5 7.744 28.451 -12.926 41 2HG GLN 5 2HG GLN 5 6.215 28.308 -12.060 42 1HE2 GLN 5 2HE2 GLN 5 8.191 25.575 -12.967 43 2HE2 GLN 5 1HE2 GLN 5 8.671 25.139 -11.364 44 H GLU 6 H GLU 6 6.269 28.030 -17.292 45 HA GLU 6 HA GLU 6 4.269 26.141 -18.144 46 1HB GLU 6 1HB GLU 6 5.018 28.083 -19.543 47 2HB GLU 6 2HB GLU 6 6.575 27.288 -19.733 48 1HG GLU 6 1HG GLU 6 5.093 26.967 -21.665 49 2HG GLU 6 2HG GLU 6 5.551 25.447 -20.895 50 H HIS 7 H HIS 7 4.707 24.090 -19.111 51 HA HIS 7 HA HIS 7 5.506 21.975 -18.919 52 1HB HIS 7 1HB HIS 7 7.418 22.796 -20.221 53 2HB HIS 7 2HB HIS 7 8.200 23.358 -18.749 54 HD1 HIS 7 HD1 HIS 7 10.258 21.866 -18.998 55 HD2 HIS 7 HD2 HIS 7 6.675 19.745 -18.965 56 HE1 HIS 7 HE1 HIS 7 10.903 19.446 -18.781 57 HE2 HIS 7 HE2 HIS 7 8.731 18.167 -18.850 58 HA PRO 8 HA PRO 8 5.444 22.415 -14.397 59 1HB PRO 8 1HB PRO 8 3.552 20.564 -13.927 60 2HB PRO 8 2HB PRO 8 3.153 22.177 -14.528 61 1HG PRO 8 1HG PRO 8 3.386 19.600 -16.030 62 2HG PRO 8 2HG PRO 8 2.163 20.876 -16.178 63 1HD PRO 8 1HD PRO 8 4.286 20.608 -17.878 64 2HD PRO 8 2HD PRO 8 3.487 22.155 -17.539 65 H ASP 9 H ASP 9 5.096 20.367 -12.749 66 HA ASP 9 HA ASP 9 7.458 18.721 -13.217 67 1HB ASP 9 1HB ASP 9 7.291 19.926 -11.084 68 2HB ASP 9 2HB ASP 9 5.758 19.135 -10.741 69 H TYR 10 H TYR 10 7.294 16.393 -12.443 70 HA TYR 10 HA TYR 10 5.326 15.005 -13.910 71 1HB TYR 10 1HB TYR 10 7.632 14.173 -13.305 72 2HB TYR 10 2HB TYR 10 7.038 13.903 -11.672 73 HD1 TYR 10 HD1 TYR 10 6.739 12.835 -15.185 74 HD2 TYR 10 HD2 TYR 10 5.698 11.988 -11.150 75 HE1 TYR 10 HE1 TYR 10 5.968 10.602 -15.860 76 HE2 TYR 10 HE2 TYR 10 4.922 9.750 -11.816 77 HH TYR 10 HH TYR 10 4.021 8.690 -14.053 78 H THR 11 H THR 11 5.445 16.212 -10.696 79 HA THR 11 HA THR 11 3.960 16.475 -9.060 80 HB THR 11 HB THR 11 1.559 16.226 -9.396 81 HG1 THR 11 HG1 THR 11 2.361 14.859 -11.728 82 1HG2 THR 11 1HG2 THR 11 2.634 18.263 -10.132 83 2HG2 THR 11 2HG2 THR 11 2.994 17.540 -11.700 84 3HG2 THR 11 3HG2 THR 11 1.321 17.845 -11.232 85 H TYR 12 H TYR 12 3.628 13.283 -10.584 86 HA TYR 12 HA TYR 12 2.833 12.067 -8.093 87 1HB TYR 12 1HB TYR 12 3.764 10.821 -10.688 88 2HB TYR 12 2HB TYR 12 3.163 9.918 -9.305 89 HD1 TYR 12 HD1 TYR 12 2.296 11.675 -12.300 90 HD2 TYR 12 HD2 TYR 12 0.755 10.318 -8.573 91 HE1 TYR 12 HE1 TYR 12 0.011 11.850 -13.186 92 HE2 TYR 12 HE2 TYR 12 -1.536 10.491 -9.449 93 HH TYR 12 HH TYR 12 -2.203 10.859 -12.755 94 H ALA 13 H ALA 13 4.590 12.891 -6.793 95 HA ALA 13 HA ALA 13 6.825 11.037 -6.756 96 1HB ALA 13 1HB ALA 13 7.651 12.842 -8.181 97 2HB ALA 13 2HB ALA 13 7.269 14.017 -6.923 98 3HB ALA 13 3HB ALA 13 8.516 12.800 -6.645 99 H LEU 14 H LEU 14 7.147 10.412 -4.729 100 HA LEU 14 HA LEU 14 5.986 11.946 -2.547 101 1HB LEU 14 1HB LEU 14 5.727 9.472 -2.687 102 2HB LEU 14 2HB LEU 14 7.460 9.304 -2.503 103 HG LEU 14 HG LEU 14 7.372 10.131 -0.248 104 1HD1 LEU 14 1HD1 LEU 14 5.271 10.777 0.821 105 2HD1 LEU 14 2HD1 LEU 14 5.645 11.834 -0.540 106 3HD1 LEU 14 3HD1 LEU 14 4.426 10.572 -0.714 107 1HD2 LEU 14 1HD2 LEU 14 6.878 7.768 -0.575 108 2HD2 LEU 14 2HD2 LEU 14 5.990 8.421 0.802 109 3HD2 LEU 14 3HD2 LEU 14 5.162 8.144 -0.731 110 H ARG 15 H ARG 15 7.170 13.635 -1.927 111 HA ARG 15 HA ARG 15 9.971 13.745 -2.573 112 1HB ARG 15 1HB ARG 15 8.364 15.644 -2.893 113 2HB ARG 15 2HB ARG 15 8.292 15.811 -1.147 114 1HG ARG 15 1HG ARG 15 10.644 16.362 -1.062 115 2HG ARG 15 2HG ARG 15 10.796 16.087 -2.798 116 1HD ARG 15 1HD ARG 15 9.067 18.191 -1.496 117 2HD ARG 15 2HD ARG 15 10.634 18.477 -2.252 118 HE ARG 15 HE ARG 15 9.244 17.349 -4.252 119 1HH1 ARG 15 1HH1 ARG 15 8.522 20.025 -2.102 120 2HH1 ARG 15 2HH1 ARG 15 7.440 20.802 -3.228 121 1HH2 ARG 15 1HH2 ARG 15 7.858 18.402 -5.752 122 2HH2 ARG 15 2HH2 ARG 15 7.086 19.892 -5.293 123 H ALA 16 H ALA 16 8.049 13.405 0.347 124 HA ALA 16 HA ALA 16 10.379 12.574 1.813 125 1HB ALA 16 1HB ALA 16 8.941 15.071 2.709 126 2HB ALA 16 2HB ALA 16 10.227 14.241 3.586 127 3HB ALA 16 3HB ALA 16 10.570 15.007 2.035 128 H ALA 17 H ALA 17 9.853 11.711 3.910 129 HA ALA 17 HA ALA 17 7.109 11.522 4.748 130 1HB ALA 17 1HB ALA 17 6.934 9.094 4.593 131 2HB ALA 17 2HB ALA 17 7.168 9.799 2.994 132 3HB ALA 17 3HB ALA 17 8.516 9.016 3.818 133 H ASP 18 H ASP 18 7.400 11.950 6.845 134 HA ASP 18 HA ASP 18 9.856 11.057 8.156 135 1HB ASP 18 1HB ASP 18 9.222 12.583 9.976 136 2HB ASP 18 2HB ASP 18 9.266 13.407 8.422 137 H GLY 19 H GLY 19 6.885 9.792 7.694 138 1HA GLY 19 1HA GLY 19 6.374 7.667 8.706 139 2HA GLY 19 2HA GLY 19 7.083 8.261 10.201 140 H ARG 20 H ARG 20 5.818 10.792 10.257 141 HA ARG 20 HA ARG 20 3.069 9.934 10.877 142 1HB ARG 20 1HB ARG 20 4.712 12.200 12.018 143 2HB ARG 20 2HB ARG 20 3.039 11.863 12.442 144 1HG ARG 20 1HG ARG 20 3.671 9.716 13.367 145 2HG ARG 20 2HG ARG 20 5.345 9.972 12.870 146 1HD ARG 20 1HD ARG 20 3.804 11.649 14.847 147 2HD ARG 20 2HD ARG 20 5.044 10.459 15.243 148 HE ARG 20 HE ARG 20 6.433 12.050 13.651 149 1HH1 ARG 20 1HH1 ARG 20 4.209 12.852 16.234 150 2HH1 ARG 20 2HH1 ARG 20 4.963 14.372 16.598 151 1HH2 ARG 20 1HH2 ARG 20 7.441 14.040 14.120 152 2HH2 ARG 20 2HH2 ARG 20 6.822 15.042 15.393 153 H HIS 21 H HIS 21 4.996 12.099 9.013 154 HA HIS 21 HA HIS 21 2.512 13.054 7.745 155 1HB HIS 21 1HB HIS 21 5.071 14.658 7.963 156 2HB HIS 21 2HB HIS 21 3.561 15.184 7.233 157 HD1 HIS 21 HD1 HIS 21 1.523 15.516 8.983 158 HD2 HIS 21 HD2 HIS 21 5.338 15.256 10.591 159 HE1 HIS 21 HE1 HIS 21 1.331 16.430 11.310 160 HE2 HIS 21 HE2 HIS 21 3.695 16.476 12.175 161 H ALA 22 H ALA 22 2.492 12.990 5.520 162 HA ALA 22 HA ALA 22 4.945 12.014 4.209 163 1HB ALA 22 1HB ALA 22 2.082 11.499 3.397 164 2HB ALA 22 2HB ALA 22 3.518 10.914 2.559 165 3HB ALA 22 3HB ALA 22 3.152 10.342 4.186 166 H LYS 23 H LYS 23 5.813 13.359 2.782 167 HA LYS 23 HA LYS 23 4.283 15.762 2.110 168 1HB LYS 23 1HB LYS 23 6.428 16.114 3.240 169 2HB LYS 23 2HB LYS 23 7.257 15.237 1.961 170 1HG LYS 23 1HG LYS 23 7.572 17.573 1.598 171 2HG LYS 23 2HG LYS 23 6.481 16.966 0.352 172 1HD LYS 23 1HD LYS 23 5.566 19.019 1.087 173 2HD LYS 23 2HD LYS 23 4.576 17.754 1.816 174 1HE LYS 23 1HE LYS 23 5.013 19.425 3.479 175 2HE LYS 23 2HE LYS 23 5.929 17.976 3.892 176 1HZ LYS 23 1HZ LYS 23 7.248 19.990 4.160 177 2HZ LYS 23 2HZ LYS 23 7.907 18.992 2.956 178 3HZ LYS 23 3HZ LYS 23 7.027 20.377 2.522 179 H VAL 24 H VAL 24 3.098 15.171 0.350 180 HA VAL 24 HA VAL 24 4.571 14.324 -2.040 181 HB VAL 24 HB VAL 24 1.590 14.766 -1.728 182 1HG1 VAL 24 1HG1 VAL 24 1.417 13.507 -3.821 183 2HG1 VAL 24 2HG1 VAL 24 2.373 14.975 -4.026 184 3HG1 VAL 24 3HG1 VAL 24 3.177 13.409 -3.907 185 1HG2 VAL 24 1HG2 VAL 24 3.159 12.190 -1.657 186 2HG2 VAL 24 2HG2 VAL 24 2.335 12.945 -0.292 187 3HG2 VAL 24 3HG2 VAL 24 1.399 12.325 -1.652 188 H ASN 25 H ASN 25 5.603 16.016 -2.882 189 HA ASN 25 HA ASN 25 6.102 18.085 -3.647 190 1HB ASN 25 1HB ASN 25 3.103 18.411 -3.904 191 2HB ASN 25 2HB ASN 25 4.318 19.447 -4.648 192 1HD2 ASN 25 2HD2 ASN 25 2.200 17.793 -5.822 193 2HD2 ASN 25 1HD2 ASN 25 2.992 16.729 -6.931 194 H GLU 26 H GLU 26 3.227 19.653 -2.606 195 HA GLU 26 HA GLU 26 4.608 20.558 -0.161 196 1HB GLU 26 1HB GLU 26 2.761 22.088 -1.994 197 2HB GLU 26 2HB GLU 26 3.179 22.642 -0.382 198 1HG GLU 26 1HG GLU 26 4.623 23.815 -1.758 199 2HG GLU 26 2HG GLU 26 5.613 22.480 -1.169 200 H GLN 27 H GLN 27 2.286 18.583 -1.171 201 HA GLN 27 HA GLN 27 0.246 19.356 0.766 202 1HB GLN 27 1HB GLN 27 0.331 17.238 -1.385 203 2HB GLN 27 2HB GLN 27 -0.981 17.362 -0.224 204 1HG GLN 27 1HG GLN 27 -1.698 18.428 -2.205 205 2HG GLN 27 2HG GLN 27 -1.368 19.696 -1.030 206 1HE2 GLN 27 2HE2 GLN 27 -1.094 21.269 -2.563 207 2HE2 GLN 27 1HE2 GLN 27 0.276 21.322 -3.632 208 H ILE 28 H ILE 28 0.410 18.641 2.782 209 HA ILE 28 HA ILE 28 1.999 16.263 3.330 210 HB ILE 28 HB ILE 28 0.646 18.145 5.273 211 1HG1 ILE 28 1HG1 ILE 28 3.530 17.945 4.377 212 2HG1 ILE 28 2HG1 ILE 28 2.425 19.273 4.046 213 1HG2 ILE 28 1HG2 ILE 28 2.064 17.063 6.960 214 2HG2 ILE 28 2HG2 ILE 28 0.942 15.926 6.213 215 3HG2 ILE 28 3HG2 ILE 28 2.640 15.932 5.738 216 1HD1 ILE 28 1HD1 ILE 28 3.454 18.454 6.756 217 2HD1 ILE 28 2HD1 ILE 28 3.977 19.851 5.813 218 3HD1 ILE 28 3HD1 ILE 28 2.329 19.777 6.437 219 H LEU 29 H LEU 29 0.900 14.469 2.875 220 HA LEU 29 HA LEU 29 -1.879 14.180 3.663 221 1HB LEU 29 1HB LEU 29 0.041 12.217 2.398 222 2HB LEU 29 2HB LEU 29 -1.673 11.937 2.647 223 HG LEU 29 HG LEU 29 -0.504 14.087 0.873 224 1HD1 LEU 29 1HD1 LEU 29 -1.861 11.497 0.149 225 2HD1 LEU 29 2HD1 LEU 29 -1.332 12.745 -0.978 226 3HD1 LEU 29 3HD1 LEU 29 -0.143 11.850 -0.033 227 1HD2 LEU 29 1HD2 LEU 29 -2.647 14.731 1.836 228 2HD2 LEU 29 2HD2 LEU 29 -2.808 14.394 0.112 229 3HD2 LEU 29 3HD2 LEU 29 -3.358 13.210 1.297 230 H GLN 30 H GLN 30 -2.334 13.721 5.707 231 HA GLN 30 HA GLN 30 -0.158 12.700 7.371 232 1HB GLN 30 1HB GLN 30 -2.675 14.178 8.139 233 2HB GLN 30 2HB GLN 30 -1.412 13.676 9.254 234 1HG GLN 30 1HG GLN 30 0.186 15.098 8.031 235 2HG GLN 30 2HG GLN 30 -1.136 15.647 7.002 236 1HE2 GLN 30 2HE2 GLN 30 -3.054 15.652 9.216 237 2HE2 GLN 30 1HE2 GLN 30 -2.676 17.048 10.171 238 H GLN 31 H GLN 31 -2.693 11.287 5.869 239 HA GLN 31 HA GLN 31 -2.887 9.308 7.996 240 1HB GLN 31 1HB GLN 31 -5.346 10.496 6.704 241 2HB GLN 31 2HB GLN 31 -5.338 9.107 7.781 242 1HG GLN 31 1HG GLN 31 -4.301 10.627 9.515 243 2HG GLN 31 2HG GLN 31 -4.689 11.965 8.438 244 1HE2 GLN 31 2HE2 GLN 31 -5.912 9.592 10.621 245 2HE2 GLN 31 1HE2 GLN 31 -7.536 10.188 10.685 246 H SER 32 H SER 32 -5.011 9.445 5.175 247 HA SER 32 HA SER 32 -3.842 6.847 4.428 248 1HB SER 32 1HB SER 32 -6.691 7.670 3.916 249 2HB SER 32 2HB SER 32 -6.008 6.045 3.961 250 HG SER 32 HG SER 32 -5.645 6.384 6.227 251 H PHE 33 H PHE 33 -3.133 6.566 2.410 252 HA PHE 33 HA PHE 33 -4.635 7.459 0.176 253 1HB PHE 33 1HB PHE 33 -3.058 8.923 -0.913 254 2HB PHE 33 2HB PHE 33 -3.413 9.579 0.678 255 HD1 PHE 33 HD1 PHE 33 -1.720 9.230 2.523 256 HD2 PHE 33 HD2 PHE 33 -0.876 8.460 -1.578 257 HE1 PHE 33 HE1 PHE 33 0.689 9.378 2.996 258 HE2 PHE 33 HE2 PHE 33 1.536 8.597 -1.109 259 HZ PHE 33 HZ PHE 33 2.321 9.062 1.179 260 H ILE 34 H ILE 34 -3.949 6.456 -1.788 261 HA ILE 34 HA ILE 34 -1.782 4.482 -1.412 262 HB ILE 34 HB ILE 34 -4.236 4.041 -3.117 263 1HG1 ILE 34 1HG1 ILE 34 -3.595 2.818 -0.431 264 2HG1 ILE 34 2HG1 ILE 34 -4.768 4.106 -0.680 265 1HG2 ILE 34 1HG2 ILE 34 -2.272 2.849 -3.891 266 2HG2 ILE 34 2HG2 ILE 34 -2.019 2.185 -2.276 267 3HG2 ILE 34 3HG2 ILE 34 -3.446 1.724 -3.206 268 1HD1 ILE 34 1HD1 ILE 34 -5.862 1.953 -0.498 269 2HD1 ILE 34 2HD1 ILE 34 -6.080 2.627 -2.113 270 3HD1 ILE 34 3HD1 ILE 34 -4.908 1.338 -1.848 271 H LEU 35 H LEU 35 -0.212 4.518 -2.885 272 HA LEU 35 HA LEU 35 -0.620 6.201 -5.268 273 1HB LEU 35 1HB LEU 35 1.067 7.041 -3.692 274 2HB LEU 35 2HB LEU 35 1.941 5.527 -3.816 275 HG LEU 35 HG LEU 35 2.374 5.988 -6.205 276 1HD1 LEU 35 1HD1 LEU 35 1.050 8.634 -5.619 277 2HD1 LEU 35 2HD1 LEU 35 1.916 8.221 -7.098 278 3HD1 LEU 35 3HD1 LEU 35 0.429 7.370 -6.682 279 1HD2 LEU 35 1HD2 LEU 35 3.996 6.640 -4.485 280 2HD2 LEU 35 2HD2 LEU 35 4.012 7.752 -5.855 281 3HD2 LEU 35 3HD2 LEU 35 3.214 8.216 -4.352 282 H MET 36 H MET 36 -0.677 5.198 -7.145 283 HA MET 36 HA MET 36 0.818 2.678 -7.465 284 1HB MET 36 1HB MET 36 -1.871 3.405 -8.661 285 2HB MET 36 2HB MET 36 -0.954 1.959 -9.055 286 1HG MET 36 1HG MET 36 -1.138 1.222 -6.724 287 2HG MET 36 2HG MET 36 -2.093 2.659 -6.359 288 1HE MET 36 1HE MET 36 -1.938 -0.724 -8.320 289 2HE MET 36 2HE MET 36 -2.202 0.442 -9.617 290 3HE MET 36 3HE MET 36 -3.469 -0.711 -9.196 291 HA PRO 37 HA PRO 37 2.931 4.317 -10.987 292 1HB PRO 37 1HB PRO 37 1.610 2.267 -12.702 293 2HB PRO 37 2HB PRO 37 3.326 2.657 -12.531 294 1HG PRO 37 1HG PRO 37 2.317 0.476 -11.389 295 2HG PRO 37 2HG PRO 37 3.535 1.458 -10.553 296 1HD PRO 37 1HD PRO 37 0.592 1.288 -10.092 297 2HD PRO 37 2HD PRO 37 1.909 1.504 -8.921 298 H ASP 38 H ASP 38 2.035 6.279 -11.358 299 HA ASP 38 HA ASP 38 0.890 7.943 -12.372 300 1HB ASP 38 1HB ASP 38 0.340 5.767 -14.390 301 2HB ASP 38 2HB ASP 38 -0.196 7.430 -14.604 302 H GLU 39 H GLU 39 -0.403 6.015 -10.460 303 HA GLU 39 HA GLU 39 -3.183 6.805 -11.008 304 1HB GLU 39 1HB GLU 39 -2.349 4.230 -11.239 305 2HB GLU 39 2HB GLU 39 -2.770 4.277 -9.533 306 1HG GLU 39 1HG GLU 39 -4.718 3.560 -10.548 307 2HG GLU 39 2HG GLU 39 -4.994 5.287 -10.322 308 H LEU 40 H LEU 40 -3.464 8.361 -9.475 309 HA LEU 40 HA LEU 40 -2.466 7.845 -6.770 310 1HB LEU 40 1HB LEU 40 -1.968 10.037 -7.786 311 2HB LEU 40 2HB LEU 40 -3.685 10.350 -7.939 312 HG LEU 40 HG LEU 40 -3.906 10.307 -5.483 313 1HD1 LEU 40 1HD1 LEU 40 -0.906 10.013 -5.517 314 2HD1 LEU 40 2HD1 LEU 40 -1.893 10.330 -4.090 315 3HD1 LEU 40 3HD1 LEU 40 -2.067 8.808 -4.961 316 1HD2 LEU 40 1HD2 LEU 40 -3.557 12.427 -6.610 317 2HD2 LEU 40 2HD2 LEU 40 -2.736 12.418 -5.048 318 3HD2 LEU 40 3HD2 LEU 40 -1.810 12.202 -6.534 319 H VAL 41 H VAL 41 -3.798 6.908 -5.371 320 HA VAL 41 HA VAL 41 -6.678 7.011 -5.901 321 HB VAL 41 HB VAL 41 -5.247 5.310 -3.870 322 1HG1 VAL 41 1HG1 VAL 41 -7.291 3.957 -3.935 323 2HG1 VAL 41 2HG1 VAL 41 -7.615 5.613 -3.423 324 3HG1 VAL 41 3HG1 VAL 41 -8.004 5.107 -5.066 325 1HG2 VAL 41 1HG2 VAL 41 -4.406 4.770 -6.086 326 2HG2 VAL 41 2HG2 VAL 41 -5.434 3.470 -5.486 327 3HG2 VAL 41 3HG2 VAL 41 -6.057 4.602 -6.686 328 H GLU 42 H GLU 42 -7.514 8.792 -5.069 329 HA GLU 42 HA GLU 42 -6.840 9.570 -2.321 330 1HB GLU 42 1HB GLU 42 -6.722 11.202 -4.299 331 2HB GLU 42 2HB GLU 42 -8.473 11.129 -4.335 332 1HG GLU 42 1HG GLU 42 -6.999 11.913 -1.849 333 2HG GLU 42 2HG GLU 42 -7.341 13.080 -3.123 334 H HIS 43 H HIS 43 -8.525 9.906 -0.812 335 HA HIS 43 HA HIS 43 -10.476 9.551 0.264 336 1HB HIS 43 1HB HIS 43 -11.691 10.541 -1.572 337 2HB HIS 43 2HB HIS 43 -11.600 9.048 -2.498 338 HD1 HIS 43 HD1 HIS 43 -13.159 10.346 0.722 339 HD2 HIS 43 HD2 HIS 43 -13.730 7.397 -2.157 340 HE1 HIS 43 HE1 HIS 43 -15.354 9.255 1.291 341 HE2 HIS 43 HE2 HIS 43 -15.787 7.658 -0.614 342 H TRP 44 H TRP 44 -9.490 7.870 1.304 343 HA TRP 44 HA TRP 44 -10.899 5.393 1.087 344 1HB TRP 44 1HB TRP 44 -9.054 5.103 -0.599 345 2HB TRP 44 2HB TRP 44 -7.893 5.322 0.704 346 HD1 TRP 44 HD1 TRP 44 -10.895 2.942 0.001 347 HE1 TRP 44 HE1 TRP 44 -10.222 0.582 0.791 348 HE3 TRP 44 HE3 TRP 44 -6.240 4.000 1.835 349 HZ2 TRP 44 HZ2 TRP 44 -8.006 -0.658 2.021 350 HZ3 TRP 44 HZ3 TRP 44 -4.907 2.170 2.798 351 HH2 TRP 44 HH2 TRP 44 -5.774 -0.110 2.888 352 HA PRO 45 HA PRO 45 -9.780 7.118 5.184 353 1HB PRO 45 1HB PRO 45 -12.262 5.772 6.018 354 2HB PRO 45 2HB PRO 45 -11.791 7.467 6.179 355 1HG PRO 45 1HG PRO 45 -13.664 6.699 4.425 356 2HG PRO 45 2HG PRO 45 -12.531 8.014 4.061 357 1HD PRO 45 1HD PRO 45 -12.484 5.160 3.144 358 2HD PRO 45 2HD PRO 45 -12.141 6.643 2.227 359 H VAL 46 H VAL 46 -8.045 5.818 5.684 360 HA VAL 46 HA VAL 46 -8.734 3.711 7.594 361 HB VAL 46 HB VAL 46 -6.464 3.371 5.612 362 1HG1 VAL 46 1HG1 VAL 46 -7.523 1.525 7.751 363 2HG1 VAL 46 2HG1 VAL 46 -6.246 1.136 6.598 364 3HG1 VAL 46 3HG1 VAL 46 -5.995 2.405 7.796 365 1HG2 VAL 46 1HG2 VAL 46 -7.741 1.488 4.701 366 2HG2 VAL 46 2HG2 VAL 46 -9.091 1.895 5.761 367 3HG2 VAL 46 3HG2 VAL 46 -8.596 3.015 4.492 368 HA PRO 47 HA PRO 47 -5.993 7.066 9.193 369 1HB PRO 47 1HB PRO 47 -6.923 6.886 11.766 370 2HB PRO 47 2HB PRO 47 -7.664 7.888 10.516 371 1HG PRO 47 1HG PRO 47 -8.463 5.177 11.494 372 2HG PRO 47 2HG PRO 47 -9.484 6.566 11.077 373 1HD PRO 47 1HD PRO 47 -9.152 4.474 9.408 374 2HD PRO 47 2HD PRO 47 -9.364 6.133 8.811 375 H SER 48 H SER 48 -6.643 3.894 10.559 376 HA SER 48 HA SER 48 -3.821 3.520 11.079 377 1HB SER 48 1HB SER 48 -5.860 3.200 13.300 378 2HB SER 48 2HB SER 48 -4.128 2.878 13.416 379 HG SER 48 HG SER 48 -4.305 5.318 12.523 380 H LEU 49 H LEU 49 -3.310 1.253 11.478 381 HA LEU 49 HA LEU 49 -4.967 -0.476 9.932 382 1HB LEU 49 1HB LEU 49 -2.483 -0.645 10.029 383 2HB LEU 49 2HB LEU 49 -2.618 -1.202 11.685 384 HG LEU 49 HG LEU 49 -3.822 -3.199 10.937 385 1HD1 LEU 49 1HD1 LEU 49 -4.015 -3.701 8.550 386 2HD1 LEU 49 2HD1 LEU 49 -4.932 -2.259 8.985 387 3HD1 LEU 49 3HD1 LEU 49 -3.379 -2.102 8.164 388 1HD2 LEU 49 1HD2 LEU 49 -1.973 -4.303 9.797 389 2HD2 LEU 49 2HD2 LEU 49 -1.261 -2.735 9.415 390 3HD2 LEU 49 3HD2 LEU 49 -1.385 -3.262 11.094 391 H GLY 50 H GLY 50 -6.902 -0.786 10.815 392 1HA GLY 50 1HA GLY 50 -7.284 -2.717 12.803 393 2HA GLY 50 2HA GLY 50 -7.479 -1.130 13.543 394 H GLN 51 H GLN 51 -8.579 0.227 11.362 395 HA GLN 51 HA GLN 51 -11.270 -0.886 11.311 396 1HB GLN 51 1HB GLN 51 -10.210 1.751 10.268 397 2HB GLN 51 2HB GLN 51 -11.899 1.274 10.262 398 1HG GLN 51 1HG GLN 51 -11.716 2.670 12.103 399 2HG GLN 51 2HG GLN 51 -11.660 1.052 12.796 400 1HE2 GLN 51 2HE2 GLN 51 -8.979 2.523 11.106 401 2HE2 GLN 51 1HE2 GLN 51 -7.959 2.699 12.489 402 H LEU 52 H LEU 52 -8.737 -1.688 9.683 403 HA LEU 52 HA LEU 52 -9.715 -1.333 6.970 404 1HB LEU 52 1HB LEU 52 -7.323 -1.019 7.396 405 2HB LEU 52 2HB LEU 52 -7.203 -2.663 7.995 406 HG LEU 52 HG LEU 52 -7.752 -3.529 5.768 407 1HD1 LEU 52 1HD1 LEU 52 -7.776 -0.631 4.940 408 2HD1 LEU 52 2HD1 LEU 52 -7.856 -2.016 3.850 409 3HD1 LEU 52 3HD1 LEU 52 -9.167 -1.714 4.990 410 1HD2 LEU 52 1HD2 LEU 52 -5.515 -1.507 5.732 411 2HD2 LEU 52 2HD2 LEU 52 -5.413 -3.150 6.366 412 3HD2 LEU 52 3HD2 LEU 52 -5.688 -2.884 4.645 413 H GLN 53 H GLN 53 -11.479 -2.593 6.802 414 HA GLN 53 HA GLN 53 -11.264 -5.448 7.401 415 1HB GLN 53 1HB GLN 53 -13.630 -3.754 6.563 416 2HB GLN 53 2HB GLN 53 -13.703 -5.472 6.934 417 1HG GLN 53 1HG GLN 53 -13.080 -5.050 9.222 418 2HG GLN 53 2HG GLN 53 -12.852 -3.336 8.875 419 1HE2 GLN 53 2HE2 GLN 53 -14.640 -2.024 8.581 420 2HE2 GLN 53 1HE2 GLN 53 -16.234 -2.509 9.053 421 HA PRO 54 HA PRO 54 -10.646 -6.780 3.218 422 1HB PRO 54 1HB PRO 54 -13.031 -8.530 3.535 423 2HB PRO 54 2HB PRO 54 -11.381 -8.948 3.060 424 1HG PRO 54 1HG PRO 54 -12.291 -9.532 5.494 425 2HG PRO 54 2HG PRO 54 -10.621 -8.989 5.247 426 1HD PRO 54 1HD PRO 54 -12.968 -7.484 6.317 427 2HD PRO 54 2HD PRO 54 -11.261 -7.406 6.798 428 H ALA 55 H ALA 55 -13.913 -5.955 4.212 429 HA ALA 55 HA ALA 55 -14.983 -5.644 1.597 430 1HB ALA 55 1HB ALA 55 -15.924 -4.463 4.210 431 2HB ALA 55 2HB ALA 55 -16.856 -4.547 2.714 432 3HB ALA 55 3HB ALA 55 -16.399 -6.029 3.553 433 H HIS 56 H HIS 56 -12.992 -3.698 3.605 434 HA HIS 56 HA HIS 56 -13.603 -1.276 2.069 435 1HB HIS 56 1HB HIS 56 -13.515 -1.244 4.607 436 2HB HIS 56 2HB HIS 56 -11.782 -1.512 4.468 437 HD1 HIS 56 HD1 HIS 56 -14.343 1.000 3.177 438 HD2 HIS 56 HD2 HIS 56 -10.377 0.792 4.424 439 HE1 HIS 56 HE1 HIS 56 -13.501 3.372 3.169 440 HE2 HIS 56 HE2 HIS 56 -11.179 3.234 4.143 441 H MET 57 H MET 57 -11.097 -3.616 2.722 442 HA MET 57 HA MET 57 -9.054 -2.313 1.176 443 1HB MET 57 1HB MET 57 -8.661 -4.025 2.997 444 2HB MET 57 2HB MET 57 -9.288 -5.245 1.899 445 1HG MET 57 1HG MET 57 -6.895 -5.302 1.873 446 2HG MET 57 2HG MET 57 -7.478 -4.708 0.318 447 1HE MET 57 1HE MET 57 -4.083 -2.781 0.876 448 2HE MET 57 2HE MET 57 -4.973 -3.873 -0.185 449 3HE MET 57 3HE MET 57 -4.450 -4.424 1.407 450 H ASP 58 H ASP 58 -11.872 -3.951 0.507 451 HA ASP 58 HA ASP 58 -11.455 -5.422 -1.787 452 1HB ASP 58 1HB ASP 58 -13.564 -5.408 -0.588 453 2HB ASP 58 2HB ASP 58 -13.819 -3.715 -0.990 454 H ALA 59 H ALA 59 -11.709 -1.942 -1.410 455 HA ALA 59 HA ALA 59 -12.052 -1.188 -4.077 456 1HB ALA 59 1HB ALA 59 -11.137 0.972 -3.417 457 2HB ALA 59 2HB ALA 59 -12.254 0.366 -2.194 458 3HB ALA 59 3HB ALA 59 -10.513 0.265 -1.927 459 H VAL 60 H VAL 60 -9.104 -1.836 -2.234 460 HA VAL 60 HA VAL 60 -7.284 -1.183 -4.301 461 HB VAL 60 HB VAL 60 -6.827 -3.146 -2.049 462 1HG1 VAL 60 1HG1 VAL 60 -4.481 -2.458 -2.269 463 2HG1 VAL 60 2HG1 VAL 60 -5.097 -3.172 -3.759 464 3HG1 VAL 60 3HG1 VAL 60 -4.918 -1.424 -3.628 465 1HG2 VAL 60 1HG2 VAL 60 -5.994 -1.248 -0.747 466 2HG2 VAL 60 2HG2 VAL 60 -6.486 -0.150 -2.036 467 3HG2 VAL 60 3HG2 VAL 60 -7.702 -1.065 -1.144 468 H LEU 61 H LEU 61 -8.923 -4.136 -3.321 469 HA LEU 61 HA LEU 61 -7.589 -5.889 -5.096 470 1HB LEU 61 1HB LEU 61 -10.361 -6.102 -3.914 471 2HB LEU 61 2HB LEU 61 -9.485 -7.409 -4.689 472 HG LEU 61 HG LEU 61 -8.655 -6.015 -2.142 473 1HD1 LEU 61 1HD1 LEU 61 -9.812 -8.760 -2.608 474 2HD1 LEU 61 2HD1 LEU 61 -9.208 -8.146 -1.069 475 3HD1 LEU 61 3HD1 LEU 61 -10.620 -7.404 -1.821 476 1HD2 LEU 61 1HD2 LEU 61 -6.954 -7.761 -1.988 477 2HD2 LEU 61 2HD2 LEU 61 -7.457 -8.396 -3.554 478 3HD2 LEU 61 3HD2 LEU 61 -6.740 -6.789 -3.444 479 H ALA 62 H ALA 62 -10.374 -3.784 -5.434 480 HA ALA 62 HA ALA 62 -11.295 -4.779 -7.924 481 1HB ALA 62 1HB ALA 62 -12.682 -3.405 -6.441 482 2HB ALA 62 2HB ALA 62 -11.633 -2.021 -6.749 483 3HB ALA 62 3HB ALA 62 -12.581 -2.719 -8.062 484 H LEU 63 H LEU 63 -8.865 -2.421 -7.013 485 HA LEU 63 HA LEU 63 -8.403 -1.430 -9.650 486 1HB LEU 63 1HB LEU 63 -6.590 -1.444 -7.235 487 2HB LEU 63 2HB LEU 63 -6.323 -0.512 -8.695 488 HG LEU 63 HG LEU 63 -8.658 -0.158 -6.812 489 1HD1 LEU 63 1HD1 LEU 63 -6.556 0.547 -5.806 490 2HD1 LEU 63 2HD1 LEU 63 -6.197 1.532 -7.224 491 3HD1 LEU 63 3HD1 LEU 63 -7.569 1.937 -6.194 492 1HD2 LEU 63 1HD2 LEU 63 -9.200 0.405 -9.130 493 2HD2 LEU 63 2HD2 LEU 63 -9.127 1.847 -8.118 494 3HD2 LEU 63 3HD2 LEU 63 -7.791 1.464 -9.205 495 H ASN 64 H ASN 64 -7.592 -4.281 -8.017 496 HA ASN 64 HA ASN 64 -6.438 -6.146 -8.522 497 1HB ASN 64 1HB ASN 64 -6.525 -4.992 -11.311 498 2HB ASN 64 2HB ASN 64 -5.886 -6.589 -10.936 499 1HD2 ASN 64 2HD2 ASN 64 -8.697 -4.656 -11.312 500 2HD2 ASN 64 1HD2 ASN 64 -9.865 -5.927 -11.148 501 HA PRO 65 HA PRO 65 -2.255 -4.390 -8.482 502 1HB PRO 65 1HB PRO 65 -1.681 -4.782 -5.900 503 2HB PRO 65 2HB PRO 65 -2.649 -3.398 -6.419 504 1HG PRO 65 1HG PRO 65 -3.495 -5.890 -5.054 505 2HG PRO 65 2HG PRO 65 -4.207 -4.271 -4.984 506 1HD PRO 65 1HD PRO 65 -5.067 -6.480 -6.567 507 2HD PRO 65 2HD PRO 65 -5.701 -4.823 -6.590 508 H ALA 66 H ALA 66 -0.213 -5.547 -7.689 509 HA ALA 66 HA ALA 66 -0.599 -8.472 -7.613 510 1HB ALA 66 1HB ALA 66 0.392 -7.780 -9.745 511 2HB ALA 66 2HB ALA 66 1.694 -6.966 -8.879 512 3HB ALA 66 3HB ALA 66 1.533 -8.720 -8.784 513 H VAL 67 H VAL 67 1.530 -5.787 -6.738 514 HA VAL 67 HA VAL 67 2.123 -7.194 -4.227 515 HB VAL 67 HB VAL 67 4.137 -7.275 -5.556 516 1HG1 VAL 67 1HG1 VAL 67 5.261 -5.243 -6.355 517 2HG1 VAL 67 2HG1 VAL 67 3.693 -5.489 -7.121 518 3HG1 VAL 67 3HG1 VAL 67 3.870 -4.289 -5.841 519 1HG2 VAL 67 1HG2 VAL 67 4.348 -5.149 -3.429 520 2HG2 VAL 67 2HG2 VAL 67 4.454 -6.891 -3.183 521 3HG2 VAL 67 3HG2 VAL 67 5.702 -6.053 -4.106 522 H ILE 68 H ILE 68 1.870 -6.023 -2.399 523 HA ILE 68 HA ILE 68 1.127 -3.189 -2.717 524 HB ILE 68 HB ILE 68 -0.173 -5.169 -0.835 525 1HG1 ILE 68 1HG1 ILE 68 -1.306 -3.785 -3.279 526 2HG1 ILE 68 2HG1 ILE 68 -0.853 -5.484 -3.194 527 1HG2 ILE 68 1HG2 ILE 68 -1.702 -3.325 -0.302 528 2HG2 ILE 68 2HG2 ILE 68 -0.034 -2.936 0.119 529 3HG2 ILE 68 3HG2 ILE 68 -0.759 -2.253 -1.338 530 1HD1 ILE 68 1HD1 ILE 68 -3.255 -5.188 -2.977 531 2HD1 ILE 68 2HD1 ILE 68 -2.563 -5.859 -1.500 532 3HD1 ILE 68 3HD1 ILE 68 -3.009 -4.154 -1.570 533 H LEU 69 H LEU 69 2.525 -1.965 -1.679 534 HA LEU 69 HA LEU 69 3.993 -3.029 0.606 535 1HB LEU 69 1HB LEU 69 4.268 -0.510 -1.027 536 2HB LEU 69 2HB LEU 69 5.185 -0.787 0.443 537 HG LEU 69 HG LEU 69 5.288 -2.666 -1.911 538 1HD1 LEU 69 1HD1 LEU 69 6.026 -0.469 -2.643 539 2HD1 LEU 69 2HD1 LEU 69 7.108 -0.354 -1.255 540 3HD1 LEU 69 3HD1 LEU 69 7.397 -1.568 -2.501 541 1HD2 LEU 69 1HD2 LEU 69 7.347 -3.420 -0.861 542 2HD2 LEU 69 2HD2 LEU 69 7.135 -2.243 0.435 543 3HD2 LEU 69 3HD2 LEU 69 5.990 -3.571 0.256 544 H LEU 70 H LEU 70 3.008 -2.882 2.487 545 HA LEU 70 HA LEU 70 1.117 -0.702 2.965 546 1HB LEU 70 1HB LEU 70 0.378 -3.013 3.401 547 2HB LEU 70 2HB LEU 70 1.674 -3.206 4.564 548 HG LEU 70 HG LEU 70 0.652 -1.429 5.959 549 1HD1 LEU 70 1HD1 LEU 70 -0.513 -0.200 4.216 550 2HD1 LEU 70 2HD1 LEU 70 -1.582 -1.574 3.940 551 3HD1 LEU 70 3HD1 LEU 70 -1.638 -0.709 5.476 552 1HD2 LEU 70 1HD2 LEU 70 -1.178 -3.728 5.277 553 2HD2 LEU 70 2HD2 LEU 70 0.180 -3.782 6.402 554 3HD2 LEU 70 3HD2 LEU 70 -1.222 -2.774 6.760 555 H GLY 71 H GLY 71 2.097 1.071 3.689 556 1HA GLY 71 1HA GLY 71 4.353 0.834 5.536 557 2HA GLY 71 2HA GLY 71 3.802 2.309 4.751 558 H THR 72 H THR 72 3.504 0.244 7.498 559 HA THR 72 HA THR 72 1.186 1.620 8.544 560 HB THR 72 HB THR 72 1.765 0.169 10.617 561 HG1 THR 72 HG1 THR 72 3.903 -0.374 9.921 562 1HG2 THR 72 1HG2 THR 72 -0.099 -0.287 9.103 563 2HG2 THR 72 2HG2 THR 72 0.995 -1.115 7.994 564 3HG2 THR 72 3HG2 THR 72 0.691 -1.786 9.596 565 H GLY 73 H GLY 73 2.577 3.667 8.269 566 1HA GLY 73 1HA GLY 73 3.585 5.463 9.266 567 2HA GLY 73 2HA GLY 73 3.100 4.743 10.794 568 H GLU 74 H GLU 74 4.804 4.838 12.071 569 HA GLU 74 HA GLU 74 7.471 4.270 11.024 570 1HB GLU 74 1HB GLU 74 6.402 5.619 13.466 571 2HB GLU 74 2HB GLU 74 8.020 4.931 13.519 572 1HG GLU 74 1HG GLU 74 7.105 6.899 11.440 573 2HG GLU 74 2HG GLU 74 7.925 7.347 12.936 574 H ARG 75 H ARG 75 5.124 2.365 11.893 575 HA ARG 75 HA ARG 75 6.833 0.593 13.515 576 1HB ARG 75 1HB ARG 75 3.826 0.889 13.576 577 2HB ARG 75 2HB ARG 75 4.704 -0.399 14.382 578 1HG ARG 75 1HG ARG 75 5.868 1.282 15.750 579 2HG ARG 75 2HG ARG 75 4.911 2.545 14.969 580 1HD ARG 75 1HD ARG 75 2.864 1.539 15.801 581 2HD ARG 75 2HD ARG 75 3.782 0.222 16.524 582 HE ARG 75 HE ARG 75 4.821 2.523 17.624 583 1HH1 ARG 75 1HH1 ARG 75 1.664 1.021 17.440 584 2HH1 ARG 75 2HH1 ARG 75 1.121 1.647 18.967 585 1HH2 ARG 75 1HH2 ARG 75 4.126 3.334 19.662 586 2HH2 ARG 75 2HH2 ARG 75 2.534 2.937 20.239 587 H GLN 76 H GLN 76 6.432 -1.713 13.173 588 HA GLN 76 HA GLN 76 5.268 -2.295 10.543 589 1HB GLN 76 1HB GLN 76 7.350 -3.760 12.149 590 2HB GLN 76 2HB GLN 76 6.498 -4.513 10.804 591 1HG GLN 76 1HG GLN 76 7.271 -2.704 9.344 592 2HG GLN 76 2HG GLN 76 8.200 -2.044 10.687 593 1HE2 GLN 76 2HE2 GLN 76 8.849 -4.744 11.679 594 2HE2 GLN 76 1HE2 GLN 76 10.085 -5.345 10.619 595 H GLN 77 H GLN 77 3.264 -2.874 10.714 596 HA GLN 77 HA GLN 77 2.472 -4.484 13.054 597 1HB GLN 77 1HB GLN 77 1.639 -2.125 13.103 598 2HB GLN 77 2HB GLN 77 0.750 -2.455 11.623 599 1HG GLN 77 1HG GLN 77 -0.494 -4.226 12.808 600 2HG GLN 77 2HG GLN 77 0.351 -3.791 14.292 601 1HE2 GLN 77 2HE2 GLN 77 -2.489 -3.745 13.672 602 2HE2 GLN 77 1HE2 GLN 77 -3.018 -2.121 13.939 603 H PHE 78 H PHE 78 1.192 -6.223 12.720 604 HA PHE 78 HA PHE 78 0.888 -7.129 9.986 605 1HB PHE 78 1HB PHE 78 0.200 -8.500 12.598 606 2HB PHE 78 2HB PHE 78 0.166 -9.253 11.008 607 HD1 PHE 78 HD1 PHE 78 2.277 -9.628 9.777 608 HD2 PHE 78 HD2 PHE 78 2.230 -8.229 13.796 609 HE1 PHE 78 HE1 PHE 78 4.642 -10.259 10.021 610 HE2 PHE 78 HE2 PHE 78 4.597 -8.855 14.045 611 HZ PHE 78 HZ PHE 78 5.806 -9.871 12.156 612 HA PRO 79 HA PRO 79 -3.337 -5.780 9.821 613 1HB PRO 79 1HB PRO 79 -4.033 -6.975 7.503 614 2HB PRO 79 2HB PRO 79 -2.979 -5.558 7.558 615 1HG PRO 79 1HG PRO 79 -2.266 -8.442 7.232 616 2HG PRO 79 2HG PRO 79 -1.596 -7.020 6.411 617 1HD PRO 79 1HD PRO 79 -0.377 -8.280 8.516 618 2HD PRO 79 2HD PRO 79 -0.149 -6.563 8.128 619 H SER 80 H SER 80 -5.523 -6.895 9.224 620 HA SER 80 HA SER 80 -5.964 -8.899 11.170 621 1HB SER 80 1HB SER 80 -7.641 -7.182 10.504 622 2HB SER 80 2HB SER 80 -7.804 -7.984 8.944 623 HG SER 80 HG SER 80 -9.266 -9.129 9.908 624 H THR 81 H THR 81 -6.713 -11.057 10.854 625 HA THR 81 HA THR 81 -5.169 -12.530 9.024 626 HB THR 81 HB THR 81 -7.639 -13.516 10.462 627 HG1 THR 81 HG1 THR 81 -6.459 -12.846 12.134 628 1HG2 THR 81 1HG2 THR 81 -6.726 -15.064 8.792 629 2HG2 THR 81 2HG2 THR 81 -5.138 -14.946 9.549 630 3HG2 THR 81 3HG2 THR 81 -6.482 -15.674 10.429 631 H ASP 82 H ASP 82 -8.495 -11.409 8.928 632 HA ASP 82 HA ASP 82 -9.295 -12.842 6.631 633 1HB ASP 82 1HB ASP 82 -11.002 -10.896 6.452 634 2HB ASP 82 2HB ASP 82 -11.080 -11.971 7.843 635 H VAL 83 H VAL 83 -7.653 -9.763 7.055 636 HA VAL 83 HA VAL 83 -7.664 -9.031 4.305 637 HB VAL 83 HB VAL 83 -5.669 -8.257 6.447 638 1HG1 VAL 83 1HG1 VAL 83 -5.240 -6.298 5.024 639 2HG1 VAL 83 2HG1 VAL 83 -4.825 -7.809 4.215 640 3HG1 VAL 83 3HG1 VAL 83 -6.318 -6.966 3.799 641 1HG2 VAL 83 1HG2 VAL 83 -8.206 -6.883 5.568 642 2HG2 VAL 83 2HG2 VAL 83 -7.929 -7.676 7.118 643 3HG2 VAL 83 3HG2 VAL 83 -7.024 -6.222 6.698 644 H LEU 84 H LEU 84 -5.468 -10.852 6.376 645 HA LEU 84 HA LEU 84 -3.444 -11.327 4.477 646 1HB LEU 84 1HB LEU 84 -4.319 -12.972 6.851 647 2HB LEU 84 2HB LEU 84 -2.856 -13.268 5.932 648 HG LEU 84 HG LEU 84 -3.447 -10.747 7.487 649 1HD1 LEU 84 1HD1 LEU 84 -1.711 -11.553 9.017 650 2HD1 LEU 84 2HD1 LEU 84 -3.092 -12.648 8.962 651 3HD1 LEU 84 3HD1 LEU 84 -1.608 -13.056 8.101 652 1HD2 LEU 84 1HD2 LEU 84 -2.017 -10.348 5.551 653 2HD2 LEU 84 2HD2 LEU 84 -1.100 -10.208 7.053 654 3HD2 LEU 84 3HD2 LEU 84 -0.950 -11.658 6.059 655 H ALA 85 H ALA 85 -6.506 -12.911 5.117 656 HA ALA 85 HA ALA 85 -6.166 -15.198 3.536 657 1HB ALA 85 1HB ALA 85 -8.598 -15.299 3.429 658 2HB ALA 85 2HB ALA 85 -8.057 -14.904 5.062 659 3HB ALA 85 3HB ALA 85 -8.703 -13.638 4.016 660 H ALA 86 H ALA 86 -7.515 -12.014 2.683 661 HA ALA 86 HA ALA 86 -7.989 -12.528 -0.027 662 1HB ALA 86 1HB ALA 86 -8.861 -10.558 1.136 663 2HB ALA 86 2HB ALA 86 -7.226 -9.906 1.259 664 3HB ALA 86 3HB ALA 86 -7.979 -10.104 -0.323 665 H CYS 87 H CYS 87 -5.101 -11.456 1.657 666 HA CYS 87 HA CYS 87 -3.449 -10.957 -0.554 667 1HB CYS 87 1HB CYS 87 -2.825 -10.250 1.677 668 2HB CYS 87 2HB CYS 87 -2.799 -11.913 2.243 669 HG CYS 87 HG CYS 87 -0.709 -11.596 -0.283 670 H LEU 88 H LEU 88 -4.195 -13.926 1.195 671 HA LEU 88 HA LEU 88 -2.283 -15.523 -0.214 672 1HB LEU 88 1HB LEU 88 -3.258 -15.924 2.112 673 2HB LEU 88 2HB LEU 88 -4.698 -16.503 1.302 674 HG LEU 88 HG LEU 88 -1.993 -17.736 0.805 675 1HD1 LEU 88 1HD1 LEU 88 -2.438 -17.828 3.197 676 2HD1 LEU 88 2HD1 LEU 88 -4.030 -18.520 2.884 677 3HD1 LEU 88 3HD1 LEU 88 -2.577 -19.427 2.464 678 1HD2 LEU 88 1HD2 LEU 88 -3.754 -18.255 -0.818 679 2HD2 LEU 88 2HD2 LEU 88 -3.321 -19.675 0.136 680 3HD2 LEU 88 3HD2 LEU 88 -4.807 -18.790 0.491 681 H THR 89 H THR 89 -5.802 -15.099 -0.384 682 HA THR 89 HA THR 89 -6.420 -17.099 -2.190 683 HB THR 89 HB THR 89 -7.789 -14.408 -2.010 684 HG1 THR 89 HG1 THR 89 -8.182 -16.779 -0.471 685 1HG2 THR 89 1HG2 THR 89 -9.796 -15.675 -2.632 686 2HG2 THR 89 2HG2 THR 89 -8.557 -15.781 -3.883 687 3HG2 THR 89 3HG2 THR 89 -8.824 -17.138 -2.788 688 H ARG 90 H ARG 90 -5.436 -13.745 -2.916 689 HA ARG 90 HA ARG 90 -5.569 -14.386 -5.769 690 1HB ARG 90 1HB ARG 90 -5.283 -11.784 -4.289 691 2HB ARG 90 2HB ARG 90 -5.033 -11.904 -6.024 692 1HG ARG 90 1HG ARG 90 -7.347 -12.859 -6.192 693 2HG ARG 90 2HG ARG 90 -7.561 -12.440 -4.491 694 1HD ARG 90 1HD ARG 90 -8.461 -10.726 -6.029 695 2HD ARG 90 2HD ARG 90 -7.193 -10.106 -4.973 696 HE ARG 90 HE ARG 90 -5.702 -10.570 -7.020 697 1HH1 ARG 90 1HH1 ARG 90 -9.049 -9.553 -7.218 698 2HH1 ARG 90 2HH1 ARG 90 -8.827 -8.690 -8.706 699 1HH2 ARG 90 1HH2 ARG 90 -5.420 -9.455 -9.005 700 2HH2 ARG 90 2HH2 ARG 90 -6.780 -8.650 -9.728 701 H GLY 91 H GLY 91 -3.319 -14.675 -3.407 702 1HA GLY 91 1HA GLY 91 -1.039 -14.983 -3.453 703 2HA GLY 91 2HA GLY 91 -1.154 -14.986 -5.208 704 H ILE 92 H ILE 92 -1.956 -12.452 -2.886 705 HA ILE 92 HA ILE 92 -0.549 -10.511 -4.509 706 HB ILE 92 HB ILE 92 -2.129 -10.158 -1.955 707 1HG1 ILE 92 1HG1 ILE 92 -3.515 -10.958 -3.808 708 2HG1 ILE 92 2HG1 ILE 92 -3.906 -9.289 -3.413 709 1HG2 ILE 92 1HG2 ILE 92 -1.085 -8.098 -3.892 710 2HG2 ILE 92 2HG2 ILE 92 -2.171 -7.771 -2.541 711 3HG2 ILE 92 3HG2 ILE 92 -0.535 -8.357 -2.237 712 1HD1 ILE 92 1HD1 ILE 92 -2.206 -10.214 -5.719 713 2HD1 ILE 92 2HD1 ILE 92 -3.866 -9.628 -5.811 714 3HD1 ILE 92 3HD1 ILE 92 -2.571 -8.536 -5.320 715 H GLY 93 H GLY 93 1.319 -9.472 -3.968 716 1HA GLY 93 1HA GLY 93 2.844 -10.518 -1.730 717 2HA GLY 93 2HA GLY 93 3.407 -9.362 -2.932 718 H LEU 94 H LEU 94 1.556 -9.747 0.029 719 HA LEU 94 HA LEU 94 1.340 -6.867 0.371 720 1HB LEU 94 1HB LEU 94 -0.549 -8.308 1.003 721 2HB LEU 94 2HB LEU 94 0.468 -9.134 2.167 722 HG LEU 94 HG LEU 94 0.693 -7.028 3.444 723 1HD1 LEU 94 1HD1 LEU 94 0.378 -5.443 1.624 724 2HD1 LEU 94 2HD1 LEU 94 -1.300 -5.958 1.451 725 3HD1 LEU 94 3HD1 LEU 94 -0.775 -5.143 2.925 726 1HD2 LEU 94 1HD2 LEU 94 -2.151 -7.881 2.912 727 2HD2 LEU 94 2HD2 LEU 94 -1.030 -8.653 4.034 728 3HD2 LEU 94 3HD2 LEU 94 -1.582 -7.005 4.332 729 H GLU 95 H GLU 95 3.139 -5.889 0.954 730 HA GLU 95 HA GLU 95 4.913 -7.192 2.910 731 1HB GLU 95 1HB GLU 95 5.392 -5.936 0.416 732 2HB GLU 95 2HB GLU 95 6.089 -4.899 1.652 733 1HG GLU 95 1HG GLU 95 7.654 -6.563 0.700 734 2HG GLU 95 2HG GLU 95 7.477 -6.653 2.452 735 H ALA 96 H ALA 96 4.393 -6.483 4.899 736 HA ALA 96 HA ALA 96 3.548 -3.717 5.280 737 1HB ALA 96 1HB ALA 96 2.932 -4.400 7.532 738 2HB ALA 96 2HB ALA 96 2.232 -5.496 6.340 739 3HB ALA 96 3HB ALA 96 3.652 -5.988 7.264 740 H MET 97 H MET 97 5.012 -2.233 5.675 741 HA MET 97 HA MET 97 7.187 -2.755 7.544 742 1HB MET 97 1HB MET 97 7.618 -1.814 4.703 743 2HB MET 97 2HB MET 97 8.811 -1.600 5.974 744 1HG MET 97 1HG MET 97 8.937 -4.028 6.253 745 2HG MET 97 2HG MET 97 7.754 -4.233 4.963 746 1HE MET 97 1HE MET 97 9.720 -2.811 1.867 747 2HE MET 97 2HE MET 97 8.631 -1.933 2.941 748 3HE MET 97 3HE MET 97 8.221 -3.562 2.410 749 H THR 98 H THR 98 8.545 -0.425 7.401 750 HA THR 98 HA THR 98 6.683 1.548 8.311 751 HB THR 98 HB THR 98 8.813 3.006 8.294 752 HG1 THR 98 HG1 THR 98 10.600 2.103 7.581 753 1HG2 THR 98 1HG2 THR 98 7.901 1.986 10.319 754 2HG2 THR 98 2HG2 THR 98 8.737 0.479 9.947 755 3HG2 THR 98 3HG2 THR 98 9.664 1.930 10.331 756 H ASN 99 H ASN 99 6.227 3.568 7.318 757 HA ASN 99 HA ASN 99 5.755 3.301 4.550 758 1HB ASN 99 1HB ASN 99 4.996 5.701 4.666 759 2HB ASN 99 2HB ASN 99 4.192 4.595 5.767 760 1HD2 ASN 99 2HD2 ASN 99 3.541 6.248 7.096 761 2HD2 ASN 99 1HD2 ASN 99 4.632 7.090 8.141 762 H ALA 100 H ALA 100 8.358 4.806 6.312 763 HA ALA 100 HA ALA 100 9.421 6.332 4.186 764 1HB ALA 100 1HB ALA 100 11.470 6.408 5.495 765 2HB ALA 100 2HB ALA 100 10.062 6.678 6.522 766 3HB ALA 100 3HB ALA 100 10.872 5.111 6.531 767 H ALA 101 H ALA 101 9.978 2.999 5.243 768 HA ALA 101 HA ALA 101 11.989 2.488 3.259 769 1HB ALA 101 1HB ALA 101 10.420 0.560 4.969 770 2HB ALA 101 2HB ALA 101 11.841 0.162 4.003 771 3HB ALA 101 3HB ALA 101 11.986 1.267 5.371 772 H ALA 102 H ALA 102 8.526 2.025 3.551 773 HA ALA 102 HA ALA 102 8.133 0.364 1.314 774 1HB ALA 102 1HB ALA 102 6.248 2.410 2.484 775 2HB ALA 102 2HB ALA 102 5.806 1.089 1.403 776 3HB ALA 102 3HB ALA 102 6.417 0.739 3.020 777 H ALA 103 H ALA 103 8.294 3.872 1.651 778 HA ALA 103 HA ALA 103 7.505 4.609 -0.926 779 1HB ALA 103 1HB ALA 103 7.746 6.185 0.936 780 2HB ALA 103 2HB ALA 103 9.498 5.994 0.864 781 3HB ALA 103 3HB ALA 103 8.633 6.720 -0.491 782 H ARG 104 H ARG 104 10.702 3.779 0.337 783 HA ARG 104 HA ARG 104 12.117 4.365 -2.052 784 1HB ARG 104 1HB ARG 104 13.221 4.264 0.131 785 2HB ARG 104 2HB ARG 104 12.851 2.550 0.252 786 1HG ARG 104 1HG ARG 104 14.252 2.123 -1.715 787 2HG ARG 104 2HG ARG 104 14.650 3.840 -1.784 788 1HD ARG 104 1HD ARG 104 15.649 3.704 0.438 789 2HD ARG 104 2HD ARG 104 15.231 1.995 0.527 790 HE ARG 104 HE ARG 104 16.710 2.084 -1.710 791 1HH1 ARG 104 1HH1 ARG 104 17.241 3.367 1.513 792 2HH1 ARG 104 2HH1 ARG 104 18.976 3.241 1.412 793 1HH2 ARG 104 1HH2 ARG 104 18.979 1.897 -1.837 794 2HH2 ARG 104 2HH2 ARG 104 19.967 2.408 -0.499 795 H THR 105 H THR 105 10.914 1.350 -0.639 796 HA THR 105 HA THR 105 11.867 -0.378 -2.639 797 HB THR 105 HB THR 105 9.411 -0.800 -0.924 798 HG1 THR 105 HG1 THR 105 11.017 -0.358 0.520 799 1HG2 THR 105 1HG2 THR 105 10.014 -3.171 -1.104 800 2HG2 THR 105 2HG2 THR 105 9.723 -2.466 -2.695 801 3HG2 THR 105 3HG2 THR 105 11.375 -2.749 -2.144 802 H TYR 106 H TYR 106 9.001 1.606 -2.415 803 HA TYR 106 HA TYR 106 7.425 0.472 -4.417 804 1HB TYR 106 1HB TYR 106 6.501 2.157 -2.977 805 2HB TYR 106 2HB TYR 106 7.699 3.339 -3.496 806 HD1 TYR 106 HD1 TYR 106 7.239 4.779 -5.274 807 HD2 TYR 106 HD2 TYR 106 4.831 1.312 -4.740 808 HE1 TYR 106 HE1 TYR 106 5.711 5.578 -7.023 809 HE2 TYR 106 HE2 TYR 106 3.294 2.106 -6.488 810 HH TYR 106 HH TYR 106 4.070 4.668 -8.580 811 H ASN 107 H ASN 107 10.031 2.856 -4.628 812 HA ASN 107 HA ASN 107 9.707 3.458 -7.363 813 1HB ASN 107 1HB ASN 107 11.021 4.863 -5.818 814 2HB ASN 107 2HB ASN 107 12.228 3.587 -5.693 815 1HD2 ASN 107 2HD2 ASN 107 10.863 6.051 -7.720 816 2HD2 ASN 107 1HD2 ASN 107 12.111 6.055 -8.916 817 H VAL 108 H VAL 108 11.572 1.006 -5.675 818 HA VAL 108 HA VAL 108 13.030 0.014 -7.867 819 HB VAL 108 HB VAL 108 12.085 -1.502 -5.426 820 1HG1 VAL 108 1HG1 VAL 108 14.339 -2.070 -7.347 821 2HG1 VAL 108 2HG1 VAL 108 14.025 -2.951 -5.851 822 3HG1 VAL 108 3HG1 VAL 108 12.853 -3.004 -7.168 823 1HG2 VAL 108 1HG2 VAL 108 13.313 0.497 -4.800 824 2HG2 VAL 108 2HG2 VAL 108 14.275 -0.945 -4.477 825 3HG2 VAL 108 3HG2 VAL 108 14.626 0.051 -5.890 826 H LEU 109 H LEU 109 9.899 -0.940 -6.499 827 HA LEU 109 HA LEU 109 9.473 -3.070 -8.339 828 1HB LEU 109 1HB LEU 109 7.487 -1.540 -6.656 829 2HB LEU 109 2HB LEU 109 7.165 -3.055 -7.478 830 HG LEU 109 HG LEU 109 9.165 -2.669 -5.247 831 1HD1 LEU 109 1HD1 LEU 109 6.873 -2.501 -4.454 832 2HD1 LEU 109 2HD1 LEU 109 6.470 -4.017 -5.263 833 3HD1 LEU 109 3HD1 LEU 109 7.613 -4.012 -3.920 834 1HD2 LEU 109 1HD2 LEU 109 9.337 -5.109 -5.276 835 2HD2 LEU 109 2HD2 LEU 109 8.272 -5.168 -6.679 836 3HD2 LEU 109 3HD2 LEU 109 9.857 -4.405 -6.807 837 H ALA 110 H ALA 110 8.764 0.345 -8.345 838 HA ALA 110 HA ALA 110 6.970 0.272 -10.571 839 1HB ALA 110 1HB ALA 110 6.902 2.084 -8.936 840 2HB ALA 110 2HB ALA 110 8.519 2.591 -9.425 841 3HB ALA 110 3HB ALA 110 7.177 2.702 -10.564 842 H SER 111 H SER 111 10.371 0.128 -10.247 843 HA SER 111 HA SER 111 11.164 1.363 -12.654 844 1HB SER 111 1HB SER 111 12.515 -0.888 -11.144 845 2HB SER 111 2HB SER 111 13.270 0.124 -12.375 846 HG SER 111 HG SER 111 12.050 1.379 -10.183 847 H GLU 112 H GLU 112 10.509 -2.060 -11.887 848 HA GLU 112 HA GLU 112 10.807 -2.898 -14.605 849 1HB GLU 112 1HB GLU 112 11.191 -4.461 -12.755 850 2HB GLU 112 2HB GLU 112 9.509 -4.312 -12.264 851 1HG GLU 112 1HG GLU 112 8.754 -5.400 -14.242 852 2HG GLU 112 2HG GLU 112 10.364 -5.347 -14.953 853 H GLY 113 H GLY 113 8.220 -1.670 -12.664 854 1HA GLY 113 1HA GLY 113 6.322 -0.617 -13.515 855 2HA GLY 113 2HA GLY 113 6.645 -1.350 -15.079 856 H ARG 114 H ARG 114 6.297 -2.929 -11.935 857 HA ARG 114 HA ARG 114 4.174 -4.583 -13.052 858 1HB ARG 114 1HB ARG 114 5.577 -4.728 -10.377 859 2HB ARG 114 2HB ARG 114 4.376 -5.875 -10.952 860 1HG ARG 114 1HG ARG 114 5.898 -6.390 -12.864 861 2HG ARG 114 2HG ARG 114 7.120 -5.385 -12.081 862 1HD ARG 114 1HD ARG 114 7.497 -7.706 -11.525 863 2HD ARG 114 2HD ARG 114 6.985 -6.826 -10.085 864 HE ARG 114 HE ARG 114 4.680 -7.872 -11.187 865 1HH1 ARG 114 1HH1 ARG 114 7.702 -9.151 -9.941 866 2HH1 ARG 114 2HH1 ARG 114 6.997 -10.661 -9.429 867 1HH2 ARG 114 1HH2 ARG 114 3.755 -9.855 -10.526 868 2HH2 ARG 114 2HH2 ARG 114 4.749 -11.061 -9.764 869 H ARG 115 H ARG 115 2.253 -5.015 -11.593 870 HA ARG 115 HA ARG 115 1.057 -2.507 -10.913 871 1HB ARG 115 1HB ARG 115 0.090 -5.352 -10.655 872 2HB ARG 115 2HB ARG 115 -0.870 -3.970 -10.143 873 1HG ARG 115 1HG ARG 115 -0.786 -3.086 -12.434 874 2HG ARG 115 2HG ARG 115 0.127 -4.512 -12.933 875 1HD ARG 115 1HD ARG 115 -1.712 -5.951 -12.398 876 2HD ARG 115 2HD ARG 115 -2.609 -4.616 -11.677 877 HE ARG 115 HE ARG 115 -2.246 -3.761 -14.196 878 1HH1 ARG 115 1HH1 ARG 115 -3.420 -6.799 -12.904 879 2HH1 ARG 115 2HH1 ARG 115 -4.474 -7.106 -14.255 880 1HH2 ARG 115 1HH2 ARG 115 -3.625 -4.148 -15.959 881 2HH2 ARG 115 2HH2 ARG 115 -4.579 -5.604 -16.003 882 H VAL 116 H VAL 116 2.396 -1.710 -9.295 883 HA VAL 116 HA VAL 116 2.272 -3.102 -6.716 884 HB VAL 116 HB VAL 116 4.533 -2.567 -7.393 885 1HG1 VAL 116 1HG1 VAL 116 3.636 0.306 -7.555 886 2HG1 VAL 116 2HG1 VAL 116 5.294 -0.267 -7.722 887 3HG1 VAL 116 3HG1 VAL 116 4.079 -0.723 -8.916 888 1HG2 VAL 116 1HG2 VAL 116 5.266 -1.241 -5.470 889 2HG2 VAL 116 2HG2 VAL 116 3.602 -0.724 -5.197 890 3HG2 VAL 116 3HG2 VAL 116 4.038 -2.423 -5.018 891 H ALA 117 H ALA 117 1.185 -2.278 -5.048 892 HA ALA 117 HA ALA 117 -0.033 0.382 -5.392 893 1HB ALA 117 1HB ALA 117 -1.844 -0.380 -3.951 894 2HB ALA 117 2HB ALA 117 -1.668 -1.449 -5.343 895 3HB ALA 117 3HB ALA 117 -1.055 -1.948 -3.765 896 H LEU 118 H LEU 118 0.944 1.864 -4.190 897 HA LEU 118 HA LEU 118 2.379 1.097 -1.782 898 1HB LEU 118 1HB LEU 118 3.285 2.746 -3.450 899 2HB LEU 118 2HB LEU 118 2.005 3.846 -2.979 900 HG LEU 118 HG LEU 118 2.916 3.870 -0.671 901 1HD1 LEU 118 1HD1 LEU 118 5.161 2.274 -1.894 902 2HD1 LEU 118 2HD1 LEU 118 5.144 2.958 -0.268 903 3HD1 LEU 118 3HD1 LEU 118 4.000 1.688 -0.704 904 1HD2 LEU 118 1HD2 LEU 118 4.901 4.630 -2.819 905 2HD2 LEU 118 2HD2 LEU 118 3.532 5.609 -2.292 906 3HD2 LEU 118 3HD2 LEU 118 4.854 5.268 -1.174 907 H ALA 119 H ALA 119 0.793 0.524 -0.336 908 HA ALA 119 HA ALA 119 -1.433 2.312 0.182 909 1HB ALA 119 1HB ALA 119 -2.179 0.597 1.753 910 2HB ALA 119 2HB ALA 119 -1.814 -0.104 0.177 911 3HB ALA 119 3HB ALA 119 -0.675 -0.290 1.511 912 H MET 120 H MET 120 -0.929 4.089 1.274 913 HA MET 120 HA MET 120 1.074 3.893 3.399 914 1HB MET 120 1HB MET 120 0.086 6.196 1.747 915 2HB MET 120 2HB MET 120 1.002 6.447 3.225 916 1HG MET 120 1HG MET 120 1.942 4.893 0.828 917 2HG MET 120 2HG MET 120 2.414 6.542 1.238 918 1HE MET 120 1HE MET 120 4.985 6.086 1.260 919 2HE MET 120 2HE MET 120 4.630 4.463 0.666 920 3HE MET 120 3HE MET 120 5.723 4.682 2.033 921 H ILE 121 H ILE 121 0.252 3.528 5.301 922 HA ILE 121 HA ILE 121 -2.010 5.171 6.212 923 HB ILE 121 HB ILE 121 -0.727 2.800 7.601 924 1HG1 ILE 121 1HG1 ILE 121 -3.374 2.983 6.140 925 2HG1 ILE 121 2HG1 ILE 121 -1.940 2.157 5.539 926 1HG2 ILE 121 1HG2 ILE 121 -3.222 4.368 8.251 927 2HG2 ILE 121 2HG2 ILE 121 -2.674 2.921 9.095 928 3HG2 ILE 121 3HG2 ILE 121 -1.710 4.396 9.156 929 1HD1 ILE 121 1HD1 ILE 121 -2.056 0.601 7.421 930 2HD1 ILE 121 2HD1 ILE 121 -3.501 1.429 8.007 931 3HD1 ILE 121 3HD1 ILE 121 -3.536 0.584 6.459 932 H VAL 122 H VAL 122 -1.054 7.092 6.633 933 HA VAL 122 HA VAL 122 1.533 7.098 8.025 934 HB VAL 122 HB VAL 122 0.191 9.389 6.578 935 1HG1 VAL 122 1HG1 VAL 122 1.873 10.077 8.195 936 2HG1 VAL 122 2HG1 VAL 122 3.044 8.982 7.458 937 3HG1 VAL 122 3HG1 VAL 122 2.433 10.363 6.548 938 1HG2 VAL 122 1HG2 VAL 122 2.276 7.471 5.543 939 2HG2 VAL 122 2HG2 VAL 122 0.596 7.567 5.015 940 3HG2 VAL 122 3HG2 VAL 122 1.694 8.910 4.707 941 H GLY 123 H GLY 123 1.837 8.246 9.910 942 1HA GLY 123 1HA GLY 123 1.351 9.544 11.745 943 2HA GLY 123 2HA GLY 123 -0.073 10.121 10.897 944 H GLY 124 H GLY 124 -2.002 8.871 11.001 945 1HA GLY 124 1HA GLY 124 -2.842 6.708 12.144 946 2HA GLY 124 2HA GLY 124 -2.194 7.484 13.582 947 H LEU 125 H LEU 125 -3.505 8.760 14.707 948 HA LEU 125 HA LEU 125 -5.822 9.939 13.365 949 1HB LEU 125 1HB LEU 125 -7.344 9.275 15.099 950 2HB LEU 125 2HB LEU 125 -6.569 7.845 14.453 951 HG LEU 125 HG LEU 125 -5.653 9.151 17.013 952 1HD1 LEU 125 1HD1 LEU 125 -7.998 8.548 17.263 953 2HD1 LEU 125 2HD1 LEU 125 -7.660 6.928 16.656 954 3HD1 LEU 125 3HD1 LEU 125 -6.973 7.455 18.191 955 1HD2 LEU 125 1HD2 LEU 125 -4.702 6.940 17.455 956 2HD2 LEU 125 2HD2 LEU 125 -5.300 6.370 15.896 957 3HD2 LEU 125 3HD2 LEU 125 -4.062 7.625 15.960 958 H GLU 126 H GLU 126 -6.623 11.819 14.332 959 HA GLU 126 HA GLU 126 -5.033 12.965 16.513 960 1HB GLU 126 1HB GLU 126 -4.393 13.682 14.054 961 2HB GLU 126 2HB GLU 126 -5.845 14.662 14.167 962 1HG GLU 126 1HG GLU 126 -3.619 14.826 16.175 963 2HG GLU 126 2HG GLU 126 -3.650 15.792 14.703 964 H HIS 127 H HIS 127 -6.200 14.487 17.764 965 HA HIS 127 HA HIS 127 -8.011 15.393 18.785 966 1HB HIS 127 1HB HIS 127 -8.960 15.193 16.005 967 2HB HIS 127 2HB HIS 127 -10.233 15.214 17.218 968 HD1 HIS 127 HD1 HIS 127 -7.371 17.324 15.922 969 HD2 HIS 127 HD2 HIS 127 -10.728 17.653 18.364 970 HE1 HIS 127 HE1 HIS 127 -7.678 19.786 16.336 971 HE2 HIS 127 HE2 HIS 127 -9.764 19.974 17.740 972 H HIS 128 H HIS 128 -8.565 14.144 20.440 973 HA HIS 128 HA HIS 128 -9.762 11.581 20.151 974 1HB HIS 128 1HB HIS 128 -10.252 11.734 22.583 975 2HB HIS 128 2HB HIS 128 -8.570 12.071 22.204 976 HD1 HIS 128 HD1 HIS 128 -11.553 13.491 23.819 977 HD2 HIS 128 HD2 HIS 128 -7.849 14.848 22.502 978 HE1 HIS 128 HE1 HIS 128 -11.207 15.717 24.941 979 HE2 HIS 128 HE2 HIS 128 -8.865 16.402 24.310 980 H HIS 129 H HIS 129 -11.536 11.573 18.922 981 HA HIS 129 HA HIS 129 -13.904 13.006 19.832 982 1HB HIS 129 1HB HIS 129 -12.579 14.513 18.273 983 2HB HIS 129 2HB HIS 129 -12.863 13.330 17.006 984 HD1 HIS 129 HD1 HIS 129 -14.257 16.304 18.521 985 HD2 HIS 129 HD2 HIS 129 -15.725 13.059 16.371 986 HE1 HIS 129 HE1 HIS 129 -16.505 17.021 17.657 987 HE2 HIS 129 HE2 HIS 129 -17.232 15.148 16.133 988 H HIS 130 H HIS 130 -15.786 11.991 19.254 989 HA HIS 130 HA HIS 130 -17.258 10.558 18.291 990 1HB HIS 130 1HB HIS 130 -16.059 11.144 16.150 991 2HB HIS 130 2HB HIS 130 -15.090 9.694 16.376 992 HD1 HIS 130 HD1 HIS 130 -18.270 10.887 15.041 993 HD2 HIS 130 HD2 HIS 130 -16.660 7.237 16.224 994 HE1 HIS 130 HE1 HIS 130 -19.788 9.129 14.072 995 HE2 HIS 130 HE2 HIS 130 -18.745 6.926 14.713 996 H HIS 131 H HIS 131 -14.046 9.273 18.910 997 HA HIS 131 HA HIS 131 -13.302 7.347 19.876 998 1HB HIS 131 1HB HIS 131 -16.197 6.772 20.582 999 2HB HIS 131 2HB HIS 131 -14.783 5.985 21.264 1000 HD1 HIS 131 HD1 HIS 131 -16.924 7.443 22.995 1001 HD2 HIS 131 HD2 HIS 131 -13.333 9.123 21.723 1002 HE1 HIS 131 HE1 HIS 131 -16.434 9.308 24.613 1003 HE2 HIS 131 HE2 HIS 131 -14.164 10.173 23.937 1004 H HIS 132 H HIS 132 -14.048 4.759 19.805 1005 HA HIS 132 HA HIS 132 -15.640 4.048 17.587 1006 1HB HIS 132 1HB HIS 132 -13.964 3.014 16.130 1007 2HB HIS 132 2HB HIS 132 -13.703 4.744 16.264 1008 HD1 HIS 132 HD1 HIS 132 -11.676 5.394 18.018 1009 HD2 HIS 132 HD2 HIS 132 -11.743 1.530 16.498 1010 HE1 HIS 132 HE1 HIS 132 -9.353 4.494 18.364 1011 HE2 HIS 132 HE2 HIS 132 -9.451 2.111 17.543 Start of MODEL 13 1 1H MET 1 1HT MET 1 10.139 7.964 -26.930 2 2H MET 1 2HT MET 1 10.036 6.701 -28.056 3 3H MET 1 3HT MET 1 10.750 6.433 -26.543 4 HA MET 1 HA MET 1 8.521 5.500 -26.665 5 1HB MET 1 1HB MET 1 8.702 7.905 -24.832 6 2HB MET 1 2HB MET 1 7.646 6.517 -24.613 7 1HG MET 1 1HG MET 1 10.651 6.537 -24.486 8 2HG MET 1 2HG MET 1 9.531 6.345 -23.138 9 1HE MET 1 1HE MET 1 11.268 2.826 -23.501 10 2HE MET 1 2HE MET 1 10.988 4.206 -22.437 11 3HE MET 1 3HE MET 1 12.012 4.384 -23.863 12 HA PRO 2 HA PRO 2 5.726 7.768 -29.207 13 1HB PRO 2 1HB PRO 2 3.553 6.136 -28.125 14 2HB PRO 2 2HB PRO 2 4.226 6.159 -29.756 15 1HG PRO 2 1HG PRO 2 4.585 4.080 -28.066 16 2HG PRO 2 2HG PRO 2 5.794 4.549 -29.275 17 1HD PRO 2 1HD PRO 2 5.735 5.111 -26.334 18 2HD PRO 2 2HD PRO 2 7.107 4.654 -27.367 19 H LEU 3 H LEU 3 5.522 9.803 -28.359 20 HA LEU 3 HA LEU 3 3.726 10.227 -26.096 21 1HB LEU 3 1HB LEU 3 5.845 11.481 -26.196 22 2HB LEU 3 2HB LEU 3 5.350 12.192 -27.720 23 HG LEU 3 HG LEU 3 3.459 13.298 -26.558 24 1HD1 LEU 3 1HD1 LEU 3 3.450 13.379 -24.118 25 2HD1 LEU 3 2HD1 LEU 3 3.206 11.733 -24.707 26 3HD1 LEU 3 3HD1 LEU 3 4.779 12.220 -24.071 27 1HD2 LEU 3 1HD2 LEU 3 6.181 13.878 -25.395 28 2HD2 LEU 3 2HD2 LEU 3 5.570 14.473 -26.939 29 3HD2 LEU 3 3HD2 LEU 3 4.808 14.986 -25.433 30 H ASN 4 H ASN 4 1.608 10.285 -26.555 31 HA ASN 4 HA ASN 4 0.808 11.395 -29.168 32 1HB ASN 4 1HB ASN 4 -0.553 9.258 -27.516 33 2HB ASN 4 2HB ASN 4 -1.221 9.959 -28.983 34 1HD2 ASN 4 2HD2 ASN 4 1.266 10.111 -30.411 35 2HD2 ASN 4 1HD2 ASN 4 1.712 8.482 -30.815 36 H GLN 5 H GLN 5 -1.110 10.614 -26.293 37 HA GLN 5 HA GLN 5 -2.342 13.248 -26.496 38 1HB GLN 5 1HB GLN 5 -3.084 10.702 -25.095 39 2HB GLN 5 2HB GLN 5 -3.821 12.220 -24.610 40 1HG GLN 5 1HG GLN 5 -5.227 10.990 -26.171 41 2HG GLN 5 2HG GLN 5 -4.714 12.536 -26.839 42 1HE2 GLN 5 2HE2 GLN 5 -3.395 12.579 -28.619 43 2HE2 GLN 5 1HE2 GLN 5 -3.030 11.168 -29.559 44 H GLU 6 H GLU 6 -1.804 11.367 -23.556 45 HA GLU 6 HA GLU 6 -1.104 11.983 -21.488 46 1HB GLU 6 1HB GLU 6 0.970 13.143 -23.309 47 2HB GLU 6 2HB GLU 6 1.051 13.493 -21.588 48 1HG GLU 6 1HG GLU 6 2.446 11.570 -22.335 49 2HG GLU 6 2HG GLU 6 1.311 11.199 -21.043 50 H HIS 7 H HIS 7 -3.244 13.221 -21.742 51 HA HIS 7 HA HIS 7 -3.125 16.054 -22.049 52 1HB HIS 7 1HB HIS 7 -5.112 14.614 -22.593 53 2HB HIS 7 2HB HIS 7 -5.382 14.434 -20.863 54 HD1 HIS 7 HD1 HIS 7 -6.574 16.326 -19.667 55 HD2 HIS 7 HD2 HIS 7 -5.553 17.251 -23.593 56 HE1 HIS 7 HE1 HIS 7 -7.747 18.491 -20.184 57 HE2 HIS 7 HE2 HIS 7 -7.254 18.938 -22.618 58 HA PRO 8 HA PRO 8 -3.730 16.147 -17.224 59 1HB PRO 8 1HB PRO 8 -2.690 13.532 -16.357 60 2HB PRO 8 2HB PRO 8 -4.149 14.385 -15.845 61 1HG PRO 8 1HG PRO 8 -4.273 12.188 -17.379 62 2HG PRO 8 2HG PRO 8 -5.418 13.528 -17.574 63 1HD PRO 8 1HD PRO 8 -2.998 12.850 -19.205 64 2HD PRO 8 2HD PRO 8 -4.604 13.387 -19.744 65 H ASP 9 H ASP 9 -2.081 17.534 -16.989 66 HA ASP 9 HA ASP 9 0.655 16.591 -17.366 67 1HB ASP 9 1HB ASP 9 1.275 18.955 -17.416 68 2HB ASP 9 2HB ASP 9 -0.033 18.636 -18.547 69 H TYR 10 H TYR 10 -1.525 17.386 -14.857 70 HA TYR 10 HA TYR 10 0.537 18.000 -12.923 71 1HB TYR 10 1HB TYR 10 -2.420 17.512 -12.503 72 2HB TYR 10 2HB TYR 10 -1.300 18.162 -11.309 73 HD1 TYR 10 HD1 TYR 10 -3.729 19.020 -13.659 74 HD2 TYR 10 HD2 TYR 10 0.051 20.297 -12.185 75 HE1 TYR 10 HE1 TYR 10 -4.175 21.288 -14.497 76 HE2 TYR 10 HE2 TYR 10 -0.386 22.567 -13.014 77 HH TYR 10 HH TYR 10 -1.800 23.593 -14.857 78 H THR 11 H THR 11 1.833 16.286 -12.597 79 HA THR 11 HA THR 11 0.622 13.662 -12.116 80 HB THR 11 HB THR 11 3.548 14.316 -12.518 81 HG1 THR 11 HG1 THR 11 1.635 14.498 -14.295 82 1HG2 THR 11 1HG2 THR 11 2.025 11.714 -12.732 83 2HG2 THR 11 2HG2 THR 11 3.745 11.933 -13.048 84 3HG2 THR 11 3HG2 THR 11 3.113 12.164 -11.418 85 H TYR 12 H TYR 12 0.548 12.809 -10.132 86 HA TYR 12 HA TYR 12 1.738 14.136 -7.873 87 1HB TYR 12 1HB TYR 12 0.389 11.425 -8.032 88 2HB TYR 12 2HB TYR 12 0.779 12.296 -6.556 89 HD1 TYR 12 HD1 TYR 12 -1.675 11.712 -9.069 90 HD2 TYR 12 HD2 TYR 12 -0.377 14.570 -6.197 91 HE1 TYR 12 HE1 TYR 12 -3.895 12.764 -9.123 92 HE2 TYR 12 HE2 TYR 12 -2.596 15.630 -6.242 93 HH TYR 12 HH TYR 12 -5.306 14.153 -7.677 94 H ALA 13 H ALA 13 3.610 13.557 -6.811 95 HA ALA 13 HA ALA 13 4.966 11.101 -7.627 96 1HB ALA 13 1HB ALA 13 6.287 13.808 -7.784 97 2HB ALA 13 2HB ALA 13 7.058 12.253 -8.090 98 3HB ALA 13 3HB ALA 13 5.782 12.830 -9.161 99 H LEU 14 H LEU 14 5.919 10.111 -5.955 100 HA LEU 14 HA LEU 14 5.910 11.318 -3.354 101 1HB LEU 14 1HB LEU 14 5.522 8.901 -3.690 102 2HB LEU 14 2HB LEU 14 7.160 8.729 -4.288 103 HG LEU 14 HG LEU 14 8.014 9.429 -2.065 104 1HD1 LEU 14 1HD1 LEU 14 5.111 9.292 -1.268 105 2HD1 LEU 14 2HD1 LEU 14 6.475 9.468 -0.163 106 3HD1 LEU 14 3HD1 LEU 14 6.108 10.745 -1.324 107 1HD2 LEU 14 1HD2 LEU 14 7.783 7.064 -2.639 108 2HD2 LEU 14 2HD2 LEU 14 7.483 7.343 -0.923 109 3HD2 LEU 14 3HD2 LEU 14 6.130 7.075 -2.022 110 H ARG 15 H ARG 15 7.271 12.997 -3.178 111 HA ARG 15 HA ARG 15 9.911 12.877 -4.377 112 1HB ARG 15 1HB ARG 15 10.082 15.239 -3.670 113 2HB ARG 15 2HB ARG 15 8.650 14.929 -4.641 114 1HG ARG 15 1HG ARG 15 7.367 14.750 -2.482 115 2HG ARG 15 2HG ARG 15 8.811 15.359 -1.671 116 1HD ARG 15 1HD ARG 15 7.352 16.770 -3.898 117 2HD ARG 15 2HD ARG 15 7.147 17.117 -2.183 118 HE ARG 15 HE ARG 15 9.878 17.317 -2.848 119 1HH1 ARG 15 1HH1 ARG 15 6.844 18.934 -3.510 120 2HH1 ARG 15 2HH1 ARG 15 7.543 20.519 -3.587 121 1HH2 ARG 15 1HH2 ARG 15 10.824 19.404 -2.969 122 2HH2 ARG 15 2HH2 ARG 15 9.819 20.784 -3.302 123 H ALA 16 H ALA 16 8.429 12.762 -1.218 124 HA ALA 16 HA ALA 16 10.770 11.652 -0.037 125 1HB ALA 16 1HB ALA 16 9.989 14.431 0.847 126 2HB ALA 16 2HB ALA 16 11.193 13.401 1.621 127 3HB ALA 16 3HB ALA 16 11.464 13.996 -0.016 128 H ALA 17 H ALA 17 10.059 10.245 1.406 129 HA ALA 17 HA ALA 17 7.470 10.756 2.722 130 1HB ALA 17 1HB ALA 17 8.843 8.119 2.191 131 2HB ALA 17 2HB ALA 17 7.284 8.331 2.986 132 3HB ALA 17 3HB ALA 17 7.476 8.771 1.289 133 H ASP 18 H ASP 18 7.489 11.049 4.861 134 HA ASP 18 HA ASP 18 9.970 10.406 6.314 135 1HB ASP 18 1HB ASP 18 9.229 12.881 6.017 136 2HB ASP 18 2HB ASP 18 7.992 12.495 7.207 137 H GLY 19 H GLY 19 9.476 10.141 8.761 138 1HA GLY 19 1HA GLY 19 8.064 7.718 8.892 139 2HA GLY 19 2HA GLY 19 8.685 8.609 10.268 140 H ARG 20 H ARG 20 7.031 10.989 9.772 141 HA ARG 20 HA ARG 20 4.510 9.798 10.730 142 1HB ARG 20 1HB ARG 20 5.582 12.489 11.559 143 2HB ARG 20 2HB ARG 20 4.278 11.569 12.301 144 1HG ARG 20 1HG ARG 20 5.939 9.834 12.934 145 2HG ARG 20 2HG ARG 20 7.211 10.887 12.313 146 1HD ARG 20 1HD ARG 20 7.205 11.330 14.594 147 2HD ARG 20 2HD ARG 20 6.245 12.647 13.919 148 HE ARG 20 HE ARG 20 4.321 10.929 14.526 149 1HH1 ARG 20 1HH1 ARG 20 7.138 11.866 16.387 150 2HH1 ARG 20 2HH1 ARG 20 6.378 11.565 17.917 151 1HH2 ARG 20 1HH2 ARG 20 3.330 10.522 16.536 152 2HH2 ARG 20 2HH2 ARG 20 4.222 10.788 18.009 153 H HIS 21 H HIS 21 5.750 11.437 8.156 154 HA HIS 21 HA HIS 21 3.147 11.989 7.161 155 1HB HIS 21 1HB HIS 21 3.498 14.423 6.682 156 2HB HIS 21 2HB HIS 21 3.235 14.038 8.373 157 HD1 HIS 21 HD1 HIS 21 6.507 14.066 6.409 158 HD2 HIS 21 HD2 HIS 21 4.699 15.878 9.679 159 HE1 HIS 21 HE1 HIS 21 8.246 15.597 7.378 160 HE2 HIS 21 HE2 HIS 21 7.049 16.855 9.203 161 H ALA 22 H ALA 22 3.081 12.206 4.937 162 HA ALA 22 HA ALA 22 5.689 11.856 3.603 163 1HB ALA 22 1HB ALA 22 4.583 10.416 1.985 164 2HB ALA 22 2HB ALA 22 4.344 9.798 3.619 165 3HB ALA 22 3HB ALA 22 3.038 10.656 2.800 166 H LYS 23 H LYS 23 5.976 12.819 1.582 167 HA LYS 23 HA LYS 23 4.102 15.029 1.054 168 1HB LYS 23 1HB LYS 23 7.114 14.922 0.848 169 2HB LYS 23 2HB LYS 23 6.146 16.236 0.191 170 1HG LYS 23 1HG LYS 23 5.501 16.983 2.295 171 2HG LYS 23 2HG LYS 23 5.900 15.449 3.068 172 1HD LYS 23 1HD LYS 23 7.946 17.299 1.849 173 2HD LYS 23 2HD LYS 23 7.490 17.324 3.554 174 1HE LYS 23 1HE LYS 23 8.130 14.905 3.668 175 2HE LYS 23 2HE LYS 23 8.759 15.055 2.029 176 1HZ LYS 23 1HZ LYS 23 9.679 16.674 4.342 177 2HZ LYS 23 2HZ LYS 23 10.478 15.300 3.753 178 3HZ LYS 23 3HZ LYS 23 10.336 16.685 2.779 179 H VAL 24 H VAL 24 2.960 14.539 -0.673 180 HA VAL 24 HA VAL 24 4.295 13.266 -2.973 181 HB VAL 24 HB VAL 24 1.331 13.428 -2.378 182 1HG1 VAL 24 1HG1 VAL 24 2.843 11.902 -4.495 183 2HG1 VAL 24 2HG1 VAL 24 1.110 11.781 -4.186 184 3HG1 VAL 24 3HG1 VAL 24 1.801 13.301 -4.760 185 1HG2 VAL 24 1HG2 VAL 24 3.241 11.113 -2.074 186 2HG2 VAL 24 2HG2 VAL 24 2.448 11.993 -0.767 187 3HG2 VAL 24 3HG2 VAL 24 1.489 11.026 -1.888 188 H ASN 25 H ASN 25 4.717 14.522 -4.642 189 HA ASN 25 HA ASN 25 4.799 16.276 -6.069 190 1HB ASN 25 1HB ASN 25 2.463 15.699 -6.598 191 2HB ASN 25 2HB ASN 25 1.909 16.719 -5.275 192 1HD2 ASN 25 2HD2 ASN 25 3.214 16.644 -8.494 193 2HD2 ASN 25 1HD2 ASN 25 2.965 18.319 -8.847 194 H GLU 26 H GLU 26 2.507 17.813 -3.862 195 HA GLU 26 HA GLU 26 4.616 19.308 -2.552 196 1HB GLU 26 1HB GLU 26 4.034 20.543 -4.690 197 2HB GLU 26 2HB GLU 26 2.420 20.773 -4.034 198 1HG GLU 26 1HG GLU 26 3.885 22.734 -3.763 199 2HG GLU 26 2HG GLU 26 3.272 22.101 -2.237 200 H GLN 27 H GLN 27 2.328 17.369 -2.127 201 HA GLN 27 HA GLN 27 0.746 18.908 -0.177 202 1HB GLN 27 1HB GLN 27 0.029 16.286 -1.505 203 2HB GLN 27 2HB GLN 27 -1.010 17.264 -0.479 204 1HG GLN 27 1HG GLN 27 -1.174 18.966 -2.131 205 2HG GLN 27 2HG GLN 27 0.084 18.215 -3.113 206 1HE2 GLN 27 2HE2 GLN 27 -3.243 18.109 -2.138 207 2HE2 GLN 27 1HE2 GLN 27 -3.761 16.940 -3.310 208 H ILE 28 H ILE 28 1.145 18.460 1.904 209 HA ILE 28 HA ILE 28 2.561 16.021 2.635 210 HB ILE 28 HB ILE 28 1.557 18.294 4.368 211 1HG1 ILE 28 1HG1 ILE 28 4.348 17.607 3.421 212 2HG1 ILE 28 2HG1 ILE 28 3.364 18.939 2.825 213 1HG2 ILE 28 1HG2 ILE 28 3.331 15.959 5.074 214 2HG2 ILE 28 2HG2 ILE 28 2.952 17.317 6.132 215 3HG2 ILE 28 3HG2 ILE 28 1.675 16.212 5.623 216 1HD1 ILE 28 1HD1 ILE 28 4.400 18.629 5.635 217 2HD1 ILE 28 2HD1 ILE 28 5.045 19.710 4.397 218 3HD1 ILE 28 3HD1 ILE 28 3.421 19.967 5.034 219 H LEU 29 H LEU 29 1.422 14.217 2.881 220 HA LEU 29 HA LEU 29 -1.418 14.480 3.594 221 1HB LEU 29 1HB LEU 29 -0.019 12.236 2.143 222 2HB LEU 29 2HB LEU 29 -1.735 12.312 2.495 223 HG LEU 29 HG LEU 29 -0.224 14.195 0.680 224 1HD1 LEU 29 1HD1 LEU 29 -1.520 13.140 -1.104 225 2HD1 LEU 29 2HD1 LEU 29 -0.488 11.973 -0.275 226 3HD1 LEU 29 3HD1 LEU 29 -2.217 12.019 0.066 227 1HD2 LEU 29 1HD2 LEU 29 -3.169 14.037 1.317 228 2HD2 LEU 29 2HD2 LEU 29 -2.065 15.317 1.824 229 3HD2 LEU 29 3HD2 LEU 29 -2.426 15.089 0.111 230 H GLN 30 H GLN 30 -1.913 13.975 5.584 231 HA GLN 30 HA GLN 30 -0.564 11.682 6.837 232 1HB GLN 30 1HB GLN 30 -1.623 14.221 8.036 233 2HB GLN 30 2HB GLN 30 -1.481 12.763 9.011 234 1HG GLN 30 1HG GLN 30 0.895 12.656 8.549 235 2HG GLN 30 2HG GLN 30 0.772 14.077 7.513 236 1HE2 GLN 30 2HE2 GLN 30 2.293 13.529 10.001 237 2HE2 GLN 30 1HE2 GLN 30 1.880 14.839 11.064 238 H GLN 31 H GLN 31 -2.081 10.472 5.579 239 HA GLN 31 HA GLN 31 -4.430 9.780 7.085 240 1HB GLN 31 1HB GLN 31 -5.995 10.059 5.208 241 2HB GLN 31 2HB GLN 31 -5.307 11.606 5.685 242 1HG GLN 31 1HG GLN 31 -3.680 11.385 3.815 243 2HG GLN 31 2HG GLN 31 -4.544 9.937 3.298 244 1HE2 GLN 31 2HE2 GLN 31 -4.130 12.425 1.879 245 2HE2 GLN 31 1HE2 GLN 31 -5.701 13.049 1.507 246 H SER 32 H SER 32 -5.631 7.998 5.519 247 HA SER 32 HA SER 32 -3.466 6.226 4.658 248 1HB SER 32 1HB SER 32 -6.394 5.616 5.138 249 2HB SER 32 2HB SER 32 -5.141 4.435 4.758 250 HG SER 32 HG SER 32 -5.785 5.577 7.142 251 H PHE 33 H PHE 33 -2.937 6.628 2.612 252 HA PHE 33 HA PHE 33 -5.101 6.742 0.623 253 1HB PHE 33 1HB PHE 33 -3.809 8.430 -0.645 254 2HB PHE 33 2HB PHE 33 -4.294 9.022 0.939 255 HD1 PHE 33 HD1 PHE 33 -2.600 9.162 2.763 256 HD2 PHE 33 HD2 PHE 33 -1.536 8.276 -1.262 257 HE1 PHE 33 HE1 PHE 33 -0.262 9.743 3.258 258 HE2 PHE 33 HE2 PHE 33 0.804 8.856 -0.774 259 HZ PHE 33 HZ PHE 33 1.446 9.583 1.491 260 H ILE 34 H ILE 34 -4.493 6.019 -1.511 261 HA ILE 34 HA ILE 34 -2.319 4.035 -1.374 262 HB ILE 34 HB ILE 34 -4.596 4.075 -3.353 263 1HG1 ILE 34 1HG1 ILE 34 -4.380 2.419 -0.828 264 2HG1 ILE 34 2HG1 ILE 34 -5.393 3.851 -0.985 265 1HG2 ILE 34 1HG2 ILE 34 -2.643 2.826 -4.068 266 2HG2 ILE 34 2HG2 ILE 34 -2.640 1.927 -2.551 267 3HG2 ILE 34 3HG2 ILE 34 -3.969 1.726 -3.692 268 1HD1 ILE 34 1HD1 ILE 34 -5.658 1.333 -2.608 269 2HD1 ILE 34 2HD1 ILE 34 -6.676 1.801 -1.246 270 3HD1 ILE 34 3HD1 ILE 34 -6.687 2.761 -2.725 271 H LEU 35 H LEU 35 -0.525 4.596 -2.382 272 HA LEU 35 HA LEU 35 -0.697 6.439 -4.667 273 1HB LEU 35 1HB LEU 35 0.684 7.209 -2.802 274 2HB LEU 35 2HB LEU 35 1.639 5.742 -2.887 275 HG LEU 35 HG LEU 35 2.427 6.404 -5.136 276 1HD1 LEU 35 1HD1 LEU 35 0.922 8.955 -4.575 277 2HD1 LEU 35 2HD1 LEU 35 2.036 8.690 -5.915 278 3HD1 LEU 35 3HD1 LEU 35 0.535 7.770 -5.821 279 1HD2 LEU 35 1HD2 LEU 35 2.866 8.451 -2.967 280 2HD2 LEU 35 2HD2 LEU 35 3.756 6.943 -3.174 281 3HD2 LEU 35 3HD2 LEU 35 3.891 8.220 -4.384 282 H MET 36 H MET 36 -0.813 5.336 -6.516 283 HA MET 36 HA MET 36 1.013 3.047 -6.867 284 1HB MET 36 1HB MET 36 -1.725 3.494 -8.076 285 2HB MET 36 2HB MET 36 -0.636 2.194 -8.540 286 1HG MET 36 1HG MET 36 -0.704 1.374 -6.205 287 2HG MET 36 2HG MET 36 -1.911 2.609 -5.850 288 1HE MET 36 1HE MET 36 -1.538 0.565 -9.188 289 2HE MET 36 2HE MET 36 -2.579 -0.821 -8.865 290 3HE MET 36 3HE MET 36 -1.089 -0.605 -7.949 291 HA PRO 37 HA PRO 37 2.697 5.155 -10.412 292 1HB PRO 37 1HB PRO 37 3.124 3.085 -12.132 293 2HB PRO 37 2HB PRO 37 4.145 3.402 -10.726 294 1HG PRO 37 1HG PRO 37 1.921 1.428 -11.046 295 2HG PRO 37 2HG PRO 37 3.499 1.222 -10.263 296 1HD PRO 37 1HD PRO 37 1.227 1.659 -8.864 297 2HD PRO 37 2HD PRO 37 2.809 2.252 -8.321 298 H ASP 38 H ASP 38 -0.311 3.840 -10.335 299 HA ASP 38 HA ASP 38 -1.002 4.507 -13.096 300 1HB ASP 38 1HB ASP 38 -2.607 3.269 -10.847 301 2HB ASP 38 2HB ASP 38 -3.297 3.702 -12.407 302 H GLU 39 H GLU 39 -2.326 5.187 -9.856 303 HA GLU 39 HA GLU 39 -2.378 8.020 -10.386 304 1HB GLU 39 1HB GLU 39 -4.765 8.313 -10.105 305 2HB GLU 39 2HB GLU 39 -4.474 7.225 -11.456 306 1HG GLU 39 1HG GLU 39 -5.028 5.315 -10.096 307 2HG GLU 39 2HG GLU 39 -5.195 6.340 -8.672 308 H LEU 40 H LEU 40 -3.723 9.049 -8.426 309 HA LEU 40 HA LEU 40 -2.742 7.732 -5.988 310 1HB LEU 40 1HB LEU 40 -1.784 9.939 -6.367 311 2HB LEU 40 2HB LEU 40 -3.385 10.635 -6.532 312 HG LEU 40 HG LEU 40 -3.837 10.061 -4.154 313 1HD1 LEU 40 1HD1 LEU 40 -1.960 9.459 -2.709 314 2HD1 LEU 40 2HD1 LEU 40 -2.272 8.212 -3.917 315 3HD1 LEU 40 3HD1 LEU 40 -0.916 9.320 -4.124 316 1HD2 LEU 40 1HD2 LEU 40 -3.096 12.294 -4.765 317 2HD2 LEU 40 2HD2 LEU 40 -2.418 11.821 -3.207 318 3HD2 LEU 40 3HD2 LEU 40 -1.412 11.782 -4.656 319 H VAL 41 H VAL 41 -4.256 6.750 -4.819 320 HA VAL 41 HA VAL 41 -7.054 7.528 -5.142 321 HB VAL 41 HB VAL 41 -5.941 5.254 -3.490 322 1HG1 VAL 41 1HG1 VAL 41 -8.722 5.787 -4.527 323 2HG1 VAL 41 2HG1 VAL 41 -8.213 4.359 -3.625 324 3HG1 VAL 41 3HG1 VAL 41 -8.187 5.944 -2.854 325 1HG2 VAL 41 1HG2 VAL 41 -5.307 4.957 -5.820 326 2HG2 VAL 41 2HG2 VAL 41 -6.549 3.791 -5.363 327 3HG2 VAL 41 3HG2 VAL 41 -6.977 5.209 -6.322 328 H GLU 42 H GLU 42 -7.531 9.262 -3.982 329 HA GLU 42 HA GLU 42 -6.338 9.723 -1.372 330 1HB GLU 42 1HB GLU 42 -8.388 11.363 -2.870 331 2HB GLU 42 2HB GLU 42 -7.410 11.891 -1.506 332 1HG GLU 42 1HG GLU 42 -5.533 12.153 -2.771 333 2HG GLU 42 2HG GLU 42 -6.018 10.928 -3.943 334 H HIS 43 H HIS 43 -9.410 8.882 -2.809 335 HA HIS 43 HA HIS 43 -10.829 9.076 -0.302 336 1HB HIS 43 1HB HIS 43 -12.023 9.689 -2.318 337 2HB HIS 43 2HB HIS 43 -11.704 8.113 -3.033 338 HD1 HIS 43 HD1 HIS 43 -13.885 6.977 -3.169 339 HD2 HIS 43 HD2 HIS 43 -13.373 8.906 0.482 340 HE1 HIS 43 HE1 HIS 43 -15.899 6.363 -1.786 341 HE2 HIS 43 HE2 HIS 43 -15.652 7.683 0.351 342 H TRP 44 H TRP 44 -9.648 7.611 0.938 343 HA TRP 44 HA TRP 44 -10.672 4.897 0.695 344 1HB TRP 44 1HB TRP 44 -8.348 5.025 -0.365 345 2HB TRP 44 2HB TRP 44 -7.736 5.381 1.244 346 HD1 TRP 44 HD1 TRP 44 -10.121 2.620 -0.119 347 HE1 TRP 44 HE1 TRP 44 -9.304 0.353 0.794 348 HE3 TRP 44 HE3 TRP 44 -6.066 4.238 2.538 349 HZ2 TRP 44 HZ2 TRP 44 -7.209 -0.614 2.425 350 HZ3 TRP 44 HZ3 TRP 44 -4.705 2.582 3.741 351 HH2 TRP 44 HH2 TRP 44 -5.267 0.206 3.686 352 HA PRO 45 HA PRO 45 -11.251 6.963 4.710 353 1HB PRO 45 1HB PRO 45 -13.431 5.008 5.006 354 2HB PRO 45 2HB PRO 45 -13.485 6.772 5.058 355 1HG PRO 45 1HG PRO 45 -14.481 5.404 2.980 356 2HG PRO 45 2HG PRO 45 -13.670 6.968 2.762 357 1HD PRO 45 1HD PRO 45 -12.609 4.200 2.302 358 2HD PRO 45 2HD PRO 45 -12.415 5.661 1.308 359 H VAL 46 H VAL 46 -9.295 6.049 5.528 360 HA VAL 46 HA VAL 46 -9.940 4.068 7.593 361 HB VAL 46 HB VAL 46 -7.299 4.086 6.104 362 1HG1 VAL 46 1HG1 VAL 46 -8.357 2.231 8.235 363 2HG1 VAL 46 2HG1 VAL 46 -6.825 2.051 7.382 364 3HG1 VAL 46 3HG1 VAL 46 -7.086 3.436 8.441 365 1HG2 VAL 46 1HG2 VAL 46 -9.539 2.066 5.976 366 2HG2 VAL 46 2HG2 VAL 46 -9.066 3.175 4.688 367 3HG2 VAL 46 3HG2 VAL 46 -7.959 1.905 5.209 368 HA PRO 47 HA PRO 47 -8.375 8.052 9.346 369 1HB PRO 47 1HB PRO 47 -9.966 7.051 11.635 370 2HB PRO 47 2HB PRO 47 -9.983 8.639 10.860 371 1HG PRO 47 1HG PRO 47 -11.989 6.916 10.502 372 2HG PRO 47 2HG PRO 47 -11.420 7.950 9.177 373 1HD PRO 47 1HD PRO 47 -10.880 5.048 9.685 374 2HD PRO 47 2HD PRO 47 -11.212 5.882 8.151 375 H SER 48 H SER 48 -8.633 4.894 10.943 376 HA SER 48 HA SER 48 -5.880 5.091 11.799 377 1HB SER 48 1HB SER 48 -8.124 4.826 13.818 378 2HB SER 48 2HB SER 48 -6.410 4.621 14.178 379 HG SER 48 HG SER 48 -6.844 6.947 12.873 380 H LEU 49 H LEU 49 -5.280 3.016 13.049 381 HA LEU 49 HA LEU 49 -5.874 0.802 11.414 382 1HB LEU 49 1HB LEU 49 -3.769 1.069 12.683 383 2HB LEU 49 2HB LEU 49 -4.654 0.834 14.177 384 HG LEU 49 HG LEU 49 -5.237 -1.456 13.455 385 1HD1 LEU 49 1HD1 LEU 49 -4.081 -2.434 11.527 386 2HD1 LEU 49 2HD1 LEU 49 -5.171 -1.133 11.049 387 3HD1 LEU 49 3HD1 LEU 49 -3.433 -0.847 11.116 388 1HD2 LEU 49 1HD2 LEU 49 -3.003 -2.414 13.738 389 2HD2 LEU 49 2HD2 LEU 49 -2.285 -0.833 13.423 390 3HD2 LEU 49 3HD2 LEU 49 -3.282 -1.080 14.857 391 H GLY 50 H GLY 50 -7.608 -0.413 11.394 392 1HA GLY 50 1HA GLY 50 -8.995 -1.860 13.019 393 2HA GLY 50 2HA GLY 50 -9.448 -0.293 13.683 394 H GLN 51 H GLN 51 -9.357 0.985 11.057 395 HA GLN 51 HA GLN 51 -11.974 0.234 10.082 396 1HB GLN 51 1HB GLN 51 -10.000 2.356 9.232 397 2HB GLN 51 2HB GLN 51 -11.560 2.117 8.458 398 1HG GLN 51 1HG GLN 51 -11.214 2.730 11.381 399 2HG GLN 51 2HG GLN 51 -11.485 3.952 10.139 400 1HE2 GLN 51 2HE2 GLN 51 -12.899 1.424 12.030 401 2HE2 GLN 51 1HE2 GLN 51 -14.539 1.699 11.539 402 H LEU 52 H LEU 52 -8.940 -0.913 9.598 403 HA LEU 52 HA LEU 52 -9.116 -1.316 6.738 404 1HB LEU 52 1HB LEU 52 -6.945 -0.788 7.733 405 2HB LEU 52 2HB LEU 52 -7.044 -2.221 8.738 406 HG LEU 52 HG LEU 52 -6.966 -3.635 6.719 407 1HD1 LEU 52 1HD1 LEU 52 -6.395 -2.636 4.561 408 2HD1 LEU 52 2HD1 LEU 52 -7.968 -2.083 5.134 409 3HD1 LEU 52 3HD1 LEU 52 -6.563 -1.026 5.262 410 1HD2 LEU 52 1HD2 LEU 52 -4.617 -3.212 6.161 411 2HD2 LEU 52 2HD2 LEU 52 -4.718 -1.637 6.945 412 3HD2 LEU 52 3HD2 LEU 52 -4.905 -3.110 7.898 413 H GLN 53 H GLN 53 -10.851 -2.639 6.476 414 HA GLN 53 HA GLN 53 -10.343 -5.453 7.152 415 1HB GLN 53 1HB GLN 53 -13.029 -4.043 7.215 416 2HB GLN 53 2HB GLN 53 -12.828 -5.787 7.294 417 1HG GLN 53 1HG GLN 53 -11.473 -5.455 9.365 418 2HG GLN 53 2HG GLN 53 -11.915 -3.750 9.307 419 1HE2 GLN 53 2HE2 GLN 53 -14.056 -6.362 8.376 420 2HE2 GLN 53 1HE2 GLN 53 -15.165 -6.169 9.687 421 HA PRO 54 HA PRO 54 -10.945 -6.611 2.889 422 1HB PRO 54 1HB PRO 54 -13.572 -7.816 3.671 423 2HB PRO 54 2HB PRO 54 -12.280 -8.489 2.668 424 1HG PRO 54 1HG PRO 54 -12.556 -9.265 5.191 425 2HG PRO 54 2HG PRO 54 -10.945 -9.003 4.497 426 1HD PRO 54 1HD PRO 54 -12.469 -7.333 6.430 427 2HD PRO 54 2HD PRO 54 -10.717 -7.559 6.263 428 H ALA 55 H ALA 55 -13.790 -5.266 4.506 429 HA ALA 55 HA ALA 55 -15.288 -4.488 2.296 430 1HB ALA 55 1HB ALA 55 -15.052 -3.047 4.934 431 2HB ALA 55 2HB ALA 55 -16.369 -2.889 3.772 432 3HB ALA 55 3HB ALA 55 -16.108 -4.421 4.606 433 H HIS 56 H HIS 56 -12.355 -3.110 3.554 434 HA HIS 56 HA HIS 56 -12.593 -0.902 1.613 435 1HB HIS 56 1HB HIS 56 -11.042 -1.065 4.199 436 2HB HIS 56 2HB HIS 56 -10.742 0.178 2.991 437 HD1 HIS 56 HD1 HIS 56 -12.887 1.751 2.449 438 HD2 HIS 56 HD2 HIS 56 -13.026 -0.474 5.962 439 HE1 HIS 56 HE1 HIS 56 -14.647 2.842 3.877 440 HE2 HIS 56 HE2 HIS 56 -14.541 1.623 6.082 441 H MET 57 H MET 57 -10.827 -3.702 2.542 442 HA MET 57 HA MET 57 -8.398 -2.998 1.163 443 1HB MET 57 1HB MET 57 -8.376 -4.429 3.172 444 2HB MET 57 2HB MET 57 -9.293 -5.653 2.304 445 1HG MET 57 1HG MET 57 -6.959 -6.255 2.392 446 2HG MET 57 2HG MET 57 -7.437 -5.915 0.729 447 1HE MET 57 1HE MET 57 -4.869 -5.749 0.035 448 2HE MET 57 2HE MET 57 -4.403 -6.090 1.701 449 3HE MET 57 3HE MET 57 -3.705 -4.710 0.856 450 H ASP 58 H ASP 58 -11.287 -4.866 0.476 451 HA ASP 58 HA ASP 58 -10.244 -6.311 -1.727 452 1HB ASP 58 1HB ASP 58 -12.271 -6.983 -0.461 453 2HB ASP 58 2HB ASP 58 -13.133 -5.615 -1.158 454 H ALA 59 H ALA 59 -11.331 -3.070 -1.388 455 HA ALA 59 HA ALA 59 -11.972 -2.498 -4.076 456 1HB ALA 59 1HB ALA 59 -10.778 -0.681 -1.978 457 2HB ALA 59 2HB ALA 59 -11.527 -0.160 -3.488 458 3HB ALA 59 3HB ALA 59 -12.499 -0.960 -2.252 459 H VAL 60 H VAL 60 -8.935 -2.456 -2.270 460 HA VAL 60 HA VAL 60 -7.288 -1.592 -4.420 461 HB VAL 60 HB VAL 60 -6.416 -3.310 -2.092 462 1HG1 VAL 60 1HG1 VAL 60 -4.746 -3.025 -3.833 463 2HG1 VAL 60 2HG1 VAL 60 -4.942 -1.273 -3.759 464 3HG1 VAL 60 3HG1 VAL 60 -4.276 -2.145 -2.378 465 1HG2 VAL 60 1HG2 VAL 60 -5.964 -1.211 -0.878 466 2HG2 VAL 60 2HG2 VAL 60 -6.768 -0.315 -2.168 467 3HG2 VAL 60 3HG2 VAL 60 -7.684 -1.459 -1.186 468 H LEU 61 H LEU 61 -8.373 -4.689 -3.213 469 HA LEU 61 HA LEU 61 -6.739 -6.329 -4.835 470 1HB LEU 61 1HB LEU 61 -9.443 -6.959 -3.645 471 2HB LEU 61 2HB LEU 61 -8.257 -8.124 -4.201 472 HG LEU 61 HG LEU 61 -7.880 -6.238 -1.872 473 1HD1 LEU 61 1HD1 LEU 61 -9.535 -7.949 -1.382 474 2HD1 LEU 61 2HD1 LEU 61 -8.422 -9.203 -1.927 475 3HD1 LEU 61 3HD1 LEU 61 -8.042 -8.250 -0.492 476 1HD2 LEU 61 1HD2 LEU 61 -5.873 -7.565 -1.419 477 2HD2 LEU 61 2HD2 LEU 61 -6.151 -8.488 -2.896 478 3HD2 LEU 61 3HD2 LEU 61 -5.781 -6.766 -2.989 479 H ALA 62 H ALA 62 -9.884 -4.833 -5.300 480 HA ALA 62 HA ALA 62 -10.589 -6.151 -7.694 481 1HB ALA 62 1HB ALA 62 -12.184 -4.343 -8.016 482 2HB ALA 62 2HB ALA 62 -12.191 -4.882 -6.336 483 3HB ALA 62 3HB ALA 62 -11.371 -3.385 -6.778 484 H LEU 63 H LEU 63 -8.748 -3.208 -7.029 485 HA LEU 63 HA LEU 63 -8.283 -2.441 -9.701 486 1HB LEU 63 1HB LEU 63 -6.483 -2.085 -7.298 487 2HB LEU 63 2HB LEU 63 -6.332 -1.225 -8.817 488 HG LEU 63 HG LEU 63 -8.658 -1.009 -6.903 489 1HD1 LEU 63 1HD1 LEU 63 -6.628 0.028 -6.042 490 2HD1 LEU 63 2HD1 LEU 63 -6.439 0.927 -7.546 491 3HD1 LEU 63 3HD1 LEU 63 -7.819 1.248 -6.496 492 1HD2 LEU 63 1HD2 LEU 63 -9.383 0.835 -8.347 493 2HD2 LEU 63 2HD2 LEU 63 -8.070 0.468 -9.466 494 3HD2 LEU 63 3HD2 LEU 63 -9.365 -0.703 -9.209 495 H ASN 64 H ASN 64 -6.867 -4.821 -7.634 496 HA ASN 64 HA ASN 64 -5.413 -6.519 -7.920 497 1HB ASN 64 1HB ASN 64 -7.118 -7.135 -9.622 498 2HB ASN 64 2HB ASN 64 -6.161 -6.304 -10.841 499 1HD2 ASN 64 2HD2 ASN 64 -4.841 -8.210 -8.200 500 2HD2 ASN 64 1HD2 ASN 64 -4.191 -9.466 -9.188 501 HA PRO 65 HA PRO 65 -1.834 -4.072 -9.428 502 1HB PRO 65 1HB PRO 65 -0.558 -3.852 -7.079 503 2HB PRO 65 2HB PRO 65 -1.850 -2.733 -7.533 504 1HG PRO 65 1HG PRO 65 -1.946 -5.103 -5.713 505 2HG PRO 65 2HG PRO 65 -2.693 -3.508 -5.513 506 1HD PRO 65 1HD PRO 65 -4.025 -5.736 -6.411 507 2HD PRO 65 2HD PRO 65 -4.508 -4.071 -6.779 508 H ALA 66 H ALA 66 0.521 -4.738 -9.075 509 HA ALA 66 HA ALA 66 0.678 -7.621 -9.314 510 1HB ALA 66 1HB ALA 66 1.875 -6.174 -10.895 511 2HB ALA 66 2HB ALA 66 2.843 -5.533 -9.567 512 3HB ALA 66 3HB ALA 66 2.976 -7.234 -10.016 513 H VAL 67 H VAL 67 1.569 -5.097 -7.072 514 HA VAL 67 HA VAL 67 1.925 -7.067 -4.989 515 HB VAL 67 HB VAL 67 4.187 -7.029 -5.891 516 1HG1 VAL 67 1HG1 VAL 67 4.128 -4.057 -5.399 517 2HG1 VAL 67 2HG1 VAL 67 5.542 -4.992 -5.889 518 3HG1 VAL 67 3HG1 VAL 67 4.157 -4.856 -6.971 519 1HG2 VAL 67 1HG2 VAL 67 3.982 -5.541 -3.277 520 2HG2 VAL 67 2HG2 VAL 67 3.975 -7.291 -3.493 521 3HG2 VAL 67 3HG2 VAL 67 5.426 -6.362 -3.873 522 H ILE 68 H ILE 68 1.636 -6.188 -2.916 523 HA ILE 68 HA ILE 68 0.858 -3.342 -2.897 524 HB ILE 68 HB ILE 68 -0.273 -5.561 -1.178 525 1HG1 ILE 68 1HG1 ILE 68 -1.530 -4.000 -3.448 526 2HG1 ILE 68 2HG1 ILE 68 -1.020 -5.682 -3.527 527 1HG2 ILE 68 1HG2 ILE 68 -1.875 -3.856 -0.421 528 2HG2 ILE 68 2HG2 ILE 68 -0.214 -3.431 -0.004 529 3HG2 ILE 68 3HG2 ILE 68 -1.011 -2.641 -1.365 530 1HD1 ILE 68 1HD1 ILE 68 -2.677 -6.257 -1.826 531 2HD1 ILE 68 2HD1 ILE 68 -3.191 -4.572 -1.765 532 3HD1 ILE 68 3HD1 ILE 68 -3.418 -5.509 -3.241 533 H LEU 69 H LEU 69 1.953 -2.057 -1.590 534 HA LEU 69 HA LEU 69 3.601 -3.264 0.532 535 1HB LEU 69 1HB LEU 69 3.895 -0.591 -0.844 536 2HB LEU 69 2HB LEU 69 4.919 -1.173 0.451 537 HG LEU 69 HG LEU 69 4.705 -2.361 -2.317 538 1HD1 LEU 69 1HD1 LEU 69 7.018 -1.589 -2.543 539 2HD1 LEU 69 2HD1 LEU 69 5.904 -0.250 -2.270 540 3HD1 LEU 69 3HD1 LEU 69 6.917 -0.835 -0.952 541 1HD2 LEU 69 1HD2 LEU 69 6.449 -3.157 0.013 542 2HD2 LEU 69 2HD2 LEU 69 5.104 -4.090 -0.647 543 3HD2 LEU 69 3HD2 LEU 69 6.547 -3.811 -1.623 544 H LEU 70 H LEU 70 2.671 -3.113 2.453 545 HA LEU 70 HA LEU 70 0.822 -0.914 2.995 546 1HB LEU 70 1HB LEU 70 0.087 -3.194 3.524 547 2HB LEU 70 2HB LEU 70 1.465 -3.401 4.587 548 HG LEU 70 HG LEU 70 0.574 -1.595 6.041 549 1HD1 LEU 70 1HD1 LEU 70 -0.727 -0.399 4.352 550 2HD1 LEU 70 2HD1 LEU 70 -1.837 -1.765 4.239 551 3HD1 LEU 70 3HD1 LEU 70 -1.723 -0.843 5.740 552 1HD2 LEU 70 1HD2 LEU 70 -1.224 -2.923 7.010 553 2HD2 LEU 70 2HD2 LEU 70 -1.321 -3.884 5.533 554 3HD2 LEU 70 3HD2 LEU 70 0.131 -3.946 6.531 555 H GLY 71 H GLY 71 1.776 0.879 3.702 556 1HA GLY 71 1HA GLY 71 4.012 0.604 5.612 557 2HA GLY 71 2HA GLY 71 3.763 1.990 4.558 558 H THR 72 H THR 72 2.996 0.518 7.564 559 HA THR 72 HA THR 72 0.784 2.298 8.130 560 HB THR 72 HB THR 72 0.879 1.162 10.402 561 HG1 THR 72 HG1 THR 72 2.708 0.140 10.704 562 1HG2 THR 72 1HG2 THR 72 0.553 -0.576 7.951 563 2HG2 THR 72 2HG2 THR 72 -0.087 -0.930 9.555 564 3HG2 THR 72 3HG2 THR 72 -0.685 0.464 8.656 565 H GLY 73 H GLY 73 2.582 4.014 7.629 566 1HA GLY 73 1HA GLY 73 4.004 5.676 8.326 567 2HA GLY 73 2HA GLY 73 2.915 5.712 9.698 568 H GLU 74 H GLU 74 3.684 5.301 11.610 569 HA GLU 74 HA GLU 74 6.534 4.998 11.918 570 1HB GLU 74 1HB GLU 74 5.427 6.695 13.201 571 2HB GLU 74 2HB GLU 74 4.265 5.538 13.831 572 1HG GLU 74 1HG GLU 74 6.263 4.377 14.903 573 2HG GLU 74 2HG GLU 74 7.160 5.849 14.529 574 H ARG 75 H ARG 75 3.659 3.366 13.228 575 HA ARG 75 HA ARG 75 5.345 1.224 14.262 576 1HB ARG 75 1HB ARG 75 2.466 1.991 14.698 577 2HB ARG 75 2HB ARG 75 3.113 0.459 15.262 578 1HG ARG 75 1HG ARG 75 4.612 1.540 16.750 579 2HG ARG 75 2HG ARG 75 4.278 3.120 16.037 580 1HD ARG 75 1HD ARG 75 2.103 3.180 16.934 581 2HD ARG 75 2HD ARG 75 2.131 1.462 17.320 582 HE ARG 75 HE ARG 75 3.608 1.933 19.141 583 1HH1 ARG 75 1HH1 ARG 75 2.395 4.816 17.564 584 2HH1 ARG 75 2HH1 ARG 75 2.527 5.802 18.979 585 1HH2 ARG 75 1HH2 ARG 75 3.765 3.228 21.018 586 2HH2 ARG 75 2HH2 ARG 75 3.305 4.905 20.953 587 H GLN 76 H GLN 76 5.826 -0.261 12.750 588 HA GLN 76 HA GLN 76 4.014 -0.947 10.644 589 1HB GLN 76 1HB GLN 76 5.643 -2.668 10.039 590 2HB GLN 76 2HB GLN 76 6.432 -1.120 10.299 591 1HG GLN 76 1HG GLN 76 7.146 -1.851 12.510 592 2HG GLN 76 2HG GLN 76 6.341 -3.398 12.257 593 1HE2 GLN 76 2HE2 GLN 76 7.111 -3.546 9.452 594 2HE2 GLN 76 1HE2 GLN 76 8.791 -3.943 9.436 595 H GLN 77 H GLN 77 2.589 -2.542 10.533 596 HA GLN 77 HA GLN 77 2.481 -4.622 12.553 597 1HB GLN 77 1HB GLN 77 0.867 -2.243 12.702 598 2HB GLN 77 2HB GLN 77 -0.164 -3.637 12.418 599 1HG GLN 77 1HG GLN 77 1.878 -3.482 14.620 600 2HG GLN 77 2HG GLN 77 0.183 -3.043 14.814 601 1HE2 GLN 77 2HE2 GLN 77 -0.725 -5.165 13.015 602 2HE2 GLN 77 1HE2 GLN 77 -0.583 -6.636 13.907 603 H PHE 78 H PHE 78 1.715 -6.463 11.707 604 HA PHE 78 HA PHE 78 0.781 -6.504 8.986 605 1HB PHE 78 1HB PHE 78 1.196 -8.668 11.054 606 2HB PHE 78 2HB PHE 78 0.532 -8.996 9.458 607 HD1 PHE 78 HD1 PHE 78 3.524 -7.790 11.262 608 HD2 PHE 78 HD2 PHE 78 1.924 -9.158 7.562 609 HE1 PHE 78 HE1 PHE 78 5.803 -7.993 10.355 610 HE2 PHE 78 HE2 PHE 78 4.199 -9.362 6.649 611 HZ PHE 78 HZ PHE 78 6.142 -8.780 8.046 612 HA PRO 79 HA PRO 79 -3.505 -6.028 9.988 613 1HB PRO 79 1HB PRO 79 -4.552 -7.157 7.722 614 2HB PRO 79 2HB PRO 79 -3.908 -5.513 7.793 615 1HG PRO 79 1HG PRO 79 -2.610 -8.015 6.798 616 2HG PRO 79 2HG PRO 79 -2.570 -6.380 6.112 617 1HD PRO 79 1HD PRO 79 -0.520 -7.386 7.543 618 2HD PRO 79 2HD PRO 79 -0.949 -5.663 7.591 619 H SER 80 H SER 80 -5.407 -7.314 10.388 620 HA SER 80 HA SER 80 -4.877 -9.757 11.650 621 1HB SER 80 1HB SER 80 -7.439 -9.920 11.651 622 2HB SER 80 2HB SER 80 -6.730 -8.507 12.432 623 HG SER 80 HG SER 80 -8.559 -8.336 10.745 624 H THR 81 H THR 81 -5.862 -11.862 11.120 625 HA THR 81 HA THR 81 -4.972 -12.740 8.616 626 HB THR 81 HB THR 81 -5.123 -14.238 10.542 627 HG1 THR 81 HG1 THR 81 -5.810 -16.021 9.400 628 1HG2 THR 81 1HG2 THR 81 -8.113 -14.071 10.158 629 2HG2 THR 81 2HG2 THR 81 -7.278 -15.177 11.249 630 3HG2 THR 81 3HG2 THR 81 -7.203 -13.439 11.531 631 H ASP 82 H ASP 82 -8.076 -11.527 9.627 632 HA ASP 82 HA ASP 82 -9.656 -12.480 7.493 633 1HB ASP 82 1HB ASP 82 -10.585 -11.497 9.552 634 2HB ASP 82 2HB ASP 82 -9.936 -9.927 9.096 635 H VAL 83 H VAL 83 -7.541 -9.697 7.810 636 HA VAL 83 HA VAL 83 -8.352 -8.649 5.215 637 HB VAL 83 HB VAL 83 -6.226 -7.597 7.089 638 1HG1 VAL 83 1HG1 VAL 83 -5.984 -6.780 4.821 639 2HG1 VAL 83 2HG1 VAL 83 -7.683 -6.306 4.785 640 3HG1 VAL 83 3HG1 VAL 83 -6.563 -5.485 5.873 641 1HG2 VAL 83 1HG2 VAL 83 -9.135 -6.831 6.872 642 2HG2 VAL 83 2HG2 VAL 83 -8.364 -7.651 8.231 643 3HG2 VAL 83 3HG2 VAL 83 -7.925 -5.988 7.840 644 H LEU 84 H LEU 84 -5.539 -10.074 6.795 645 HA LEU 84 HA LEU 84 -3.725 -9.750 4.666 646 1HB LEU 84 1HB LEU 84 -3.253 -10.308 7.111 647 2HB LEU 84 2HB LEU 84 -3.654 -11.964 6.710 648 HG LEU 84 HG LEU 84 -1.484 -10.500 5.227 649 1HD1 LEU 84 1HD1 LEU 84 -1.200 -12.047 7.801 650 2HD1 LEU 84 2HD1 LEU 84 0.127 -11.457 6.802 651 3HD1 LEU 84 3HD1 LEU 84 -0.953 -10.313 7.597 652 1HD2 LEU 84 1HD2 LEU 84 -0.626 -12.769 4.888 653 2HD2 LEU 84 2HD2 LEU 84 -1.982 -13.420 5.809 654 3HD2 LEU 84 3HD2 LEU 84 -2.271 -12.605 4.272 655 H ALA 85 H ALA 85 -5.769 -12.514 5.604 656 HA ALA 85 HA ALA 85 -4.913 -14.207 3.508 657 1HB ALA 85 1HB ALA 85 -6.011 -15.048 5.526 658 2HB ALA 85 2HB ALA 85 -7.517 -14.280 5.024 659 3HB ALA 85 3HB ALA 85 -6.832 -15.591 4.062 660 H ALA 86 H ALA 86 -7.346 -11.712 3.699 661 HA ALA 86 HA ALA 86 -8.840 -12.369 1.411 662 1HB ALA 86 1HB ALA 86 -8.309 -9.641 2.585 663 2HB ALA 86 2HB ALA 86 -9.587 -10.041 1.439 664 3HB ALA 86 3HB ALA 86 -9.606 -10.737 3.060 665 H CYS 87 H CYS 87 -5.935 -10.391 1.830 666 HA CYS 87 HA CYS 87 -5.742 -9.716 -0.948 667 1HB CYS 87 1HB CYS 87 -4.768 -8.265 0.769 668 2HB CYS 87 2HB CYS 87 -3.684 -9.558 1.268 669 HG CYS 87 HG CYS 87 -2.239 -9.581 -1.129 670 H LEU 88 H LEU 88 -4.394 -12.163 1.166 671 HA LEU 88 HA LEU 88 -2.416 -13.162 -0.568 672 1HB LEU 88 1HB LEU 88 -2.789 -13.559 1.951 673 2HB LEU 88 2HB LEU 88 -3.904 -14.816 1.459 674 HG LEU 88 HG LEU 88 -1.033 -14.804 0.552 675 1HD1 LEU 88 1HD1 LEU 88 -1.064 -14.741 2.995 676 2HD1 LEU 88 2HD1 LEU 88 -2.185 -16.103 3.017 677 3HD1 LEU 88 3HD1 LEU 88 -0.547 -16.320 2.401 678 1HD2 LEU 88 1HD2 LEU 88 -1.425 -17.201 0.270 679 2HD2 LEU 88 2HD2 LEU 88 -3.083 -17.003 0.838 680 3HD2 LEU 88 3HD2 LEU 88 -2.574 -16.257 -0.677 681 H THR 89 H THR 89 -5.819 -14.054 -0.096 682 HA THR 89 HA THR 89 -5.716 -16.267 -1.896 683 HB THR 89 HB THR 89 -8.262 -16.079 -1.779 684 HG1 THR 89 HG1 THR 89 -7.736 -14.340 0.401 685 1HG2 THR 89 1HG2 THR 89 -6.681 -16.381 0.777 686 2HG2 THR 89 2HG2 THR 89 -8.325 -16.963 0.513 687 3HG2 THR 89 3HG2 THR 89 -6.990 -17.646 -0.412 688 H ARG 90 H ARG 90 -5.671 -12.983 -2.458 689 HA ARG 90 HA ARG 90 -7.017 -13.142 -5.036 690 1HB ARG 90 1HB ARG 90 -5.561 -10.884 -3.653 691 2HB ARG 90 2HB ARG 90 -6.260 -10.752 -5.259 692 1HG ARG 90 1HG ARG 90 -7.770 -11.326 -2.719 693 2HG ARG 90 2HG ARG 90 -7.716 -9.784 -3.575 694 1HD ARG 90 1HD ARG 90 -8.653 -10.997 -5.574 695 2HD ARG 90 2HD ARG 90 -8.919 -12.380 -4.511 696 HE ARG 90 HE ARG 90 -10.066 -9.909 -3.560 697 1HH1 ARG 90 1HH1 ARG 90 -10.578 -12.829 -5.412 698 2HH1 ARG 90 2HH1 ARG 90 -12.310 -12.675 -5.427 699 1HH2 ARG 90 1HH2 ARG 90 -12.328 -9.693 -3.534 700 2HH2 ARG 90 2HH2 ARG 90 -13.308 -10.883 -4.341 701 H GLY 91 H GLY 91 -4.072 -13.968 -3.781 702 1HA GLY 91 1HA GLY 91 -2.246 -14.852 -4.905 703 2HA GLY 91 2HA GLY 91 -2.925 -14.265 -6.416 704 H ILE 92 H ILE 92 -2.761 -11.938 -3.944 705 HA ILE 92 HA ILE 92 -0.524 -10.646 -5.348 706 HB ILE 92 HB ILE 92 -2.558 -9.346 -3.529 707 1HG1 ILE 92 1HG1 ILE 92 -2.489 -9.392 -6.555 708 2HG1 ILE 92 2HG1 ILE 92 -3.605 -10.323 -5.561 709 1HG2 ILE 92 1HG2 ILE 92 -1.759 -7.261 -4.548 710 2HG2 ILE 92 2HG2 ILE 92 -0.462 -8.121 -3.716 711 3HG2 ILE 92 3HG2 ILE 92 -0.571 -8.178 -5.476 712 1HD1 ILE 92 1HD1 ILE 92 -3.432 -7.324 -5.669 713 2HD1 ILE 92 2HD1 ILE 92 -4.653 -8.323 -6.460 714 3HD1 ILE 92 3HD1 ILE 92 -4.567 -8.264 -4.699 715 H GLY 93 H GLY 93 1.294 -10.053 -4.268 716 1HA GLY 93 1HA GLY 93 1.731 -11.145 -1.643 717 2HA GLY 93 2HA GLY 93 2.896 -10.253 -2.612 718 H LEU 94 H LEU 94 1.352 -10.179 0.217 719 HA LEU 94 HA LEU 94 0.999 -7.262 0.250 720 1HB LEU 94 1HB LEU 94 -0.933 -8.564 0.995 721 2HB LEU 94 2HB LEU 94 0.055 -9.375 2.193 722 HG LEU 94 HG LEU 94 0.387 -7.220 3.358 723 1HD1 LEU 94 1HD1 LEU 94 -1.582 -6.160 1.336 724 2HD1 LEU 94 2HD1 LEU 94 -0.980 -5.295 2.750 725 3HD1 LEU 94 3HD1 LEU 94 0.125 -5.729 1.446 726 1HD2 LEU 94 1HD2 LEU 94 -2.491 -7.987 2.882 727 2HD2 LEU 94 2HD2 LEU 94 -1.396 -8.718 4.058 728 3HD2 LEU 94 3HD2 LEU 94 -1.892 -7.034 4.240 729 H GLU 95 H GLU 95 2.948 -6.396 0.642 730 HA GLU 95 HA GLU 95 4.667 -7.555 2.713 731 1HB GLU 95 1HB GLU 95 5.199 -5.286 0.781 732 2HB GLU 95 2HB GLU 95 6.380 -6.028 1.850 733 1HG GLU 95 1HG GLU 95 4.928 -7.511 -0.324 734 2HG GLU 95 2HG GLU 95 6.503 -6.749 -0.533 735 H ALA 96 H ALA 96 4.555 -6.761 4.734 736 HA ALA 96 HA ALA 96 3.337 -4.111 5.109 737 1HB ALA 96 1HB ALA 96 2.825 -4.817 7.383 738 2HB ALA 96 2HB ALA 96 2.185 -5.970 6.212 739 3HB ALA 96 3HB ALA 96 3.656 -6.348 7.108 740 H MET 97 H MET 97 4.601 -2.472 5.643 741 HA MET 97 HA MET 97 6.999 -2.917 7.262 742 1HB MET 97 1HB MET 97 7.001 -1.515 4.579 743 2HB MET 97 2HB MET 97 8.331 -1.463 5.725 744 1HG MET 97 1HG MET 97 8.626 -3.870 5.507 745 2HG MET 97 2HG MET 97 7.275 -3.937 4.376 746 1HE MET 97 1HE MET 97 10.377 -4.589 2.069 747 2HE MET 97 2HE MET 97 8.808 -5.191 2.603 748 3HE MET 97 3HE MET 97 10.162 -5.132 3.733 749 H THR 98 H THR 98 8.065 -0.546 7.494 750 HA THR 98 HA THR 98 5.999 1.212 8.503 751 HB THR 98 HB THR 98 7.948 2.684 9.105 752 HG1 THR 98 HG1 THR 98 10.009 1.220 8.963 753 1HG2 THR 98 1HG2 THR 98 8.112 -0.178 10.056 754 2HG2 THR 98 2HG2 THR 98 8.818 1.217 10.872 755 3HG2 THR 98 3HG2 THR 98 7.066 1.077 10.719 756 H ASN 99 H ASN 99 6.302 3.645 7.896 757 HA ASN 99 HA ASN 99 5.744 3.983 5.176 758 1HB ASN 99 1HB ASN 99 5.101 5.626 6.895 759 2HB ASN 99 2HB ASN 99 6.794 6.047 7.128 760 1HD2 ASN 99 2HD2 ASN 99 4.024 6.352 5.094 761 2HD2 ASN 99 1HD2 ASN 99 4.670 7.547 4.031 762 H ALA 100 H ALA 100 8.749 4.538 6.962 763 HA ALA 100 HA ALA 100 10.245 5.563 4.810 764 1HB ALA 100 1HB ALA 100 12.195 5.175 6.220 765 2HB ALA 100 2HB ALA 100 10.874 5.881 7.151 766 3HB ALA 100 3HB ALA 100 11.229 4.160 7.291 767 H ALA 101 H ALA 101 9.938 2.271 6.104 768 HA ALA 101 HA ALA 101 11.889 1.142 4.367 769 1HB ALA 101 1HB ALA 101 9.668 -0.212 5.890 770 2HB ALA 101 2HB ALA 101 11.051 -1.015 5.146 771 3HB ALA 101 3HB ALA 101 11.296 0.099 6.491 772 H ALA 102 H ALA 102 8.382 1.487 4.224 773 HA ALA 102 HA ALA 102 7.946 -0.127 1.959 774 1HB ALA 102 1HB ALA 102 6.136 0.583 3.441 775 2HB ALA 102 2HB ALA 102 6.353 2.251 2.913 776 3HB ALA 102 3HB ALA 102 5.804 1.029 1.767 777 H ALA 103 H ALA 103 8.556 3.359 2.294 778 HA ALA 103 HA ALA 103 8.329 4.017 -0.426 779 1HB ALA 103 1HB ALA 103 8.347 5.677 1.380 780 2HB ALA 103 2HB ALA 103 10.056 5.343 1.661 781 3HB ALA 103 3HB ALA 103 9.536 6.050 0.132 782 H ARG 104 H ARG 104 11.073 2.899 1.480 783 HA ARG 104 HA ARG 104 13.091 3.274 -0.433 784 1HB ARG 104 1HB ARG 104 13.451 2.794 1.983 785 2HB ARG 104 2HB ARG 104 12.931 1.140 1.706 786 1HG ARG 104 1HG ARG 104 15.374 1.372 1.837 787 2HG ARG 104 2HG ARG 104 14.836 0.732 0.283 788 1HD ARG 104 1HD ARG 104 15.522 2.564 -0.858 789 2HD ARG 104 2HD ARG 104 15.112 3.665 0.456 790 HE ARG 104 HE ARG 104 17.201 3.165 1.487 791 1HH1 ARG 104 1HH1 ARG 104 16.843 1.708 -1.689 792 2HH1 ARG 104 2HH1 ARG 104 18.556 1.600 -1.963 793 1HH2 ARG 104 1HH2 ARG 104 19.452 3.034 1.110 794 2HH2 ARG 104 2HH2 ARG 104 20.034 2.372 -0.392 795 H THR 105 H THR 105 10.931 0.546 0.183 796 HA THR 105 HA THR 105 12.091 -1.087 -1.876 797 HB THR 105 HB THR 105 9.402 -1.458 -0.544 798 HG1 THR 105 HG1 THR 105 10.610 -1.583 1.215 799 1HG2 THR 105 1HG2 THR 105 11.351 -3.426 -1.757 800 2HG2 THR 105 2HG2 THR 105 9.821 -3.836 -0.980 801 3HG2 THR 105 3HG2 THR 105 9.828 -2.902 -2.476 802 H TYR 106 H TYR 106 9.396 1.122 -1.581 803 HA TYR 106 HA TYR 106 7.885 0.412 -3.812 804 1HB TYR 106 1HB TYR 106 7.096 1.922 -2.047 805 2HB TYR 106 2HB TYR 106 8.251 3.143 -2.565 806 HD1 TYR 106 HD1 TYR 106 7.647 4.721 -4.182 807 HD2 TYR 106 HD2 TYR 106 5.309 1.195 -3.738 808 HE1 TYR 106 HE1 TYR 106 5.967 5.648 -5.721 809 HE2 TYR 106 HE2 TYR 106 3.626 2.111 -5.278 810 HH TYR 106 HH TYR 106 2.873 4.325 -6.066 811 H ASN 107 H ASN 107 10.526 2.773 -3.536 812 HA ASN 107 HA ASN 107 10.354 3.872 -6.084 813 1HB ASN 107 1HB ASN 107 11.768 4.810 -4.309 814 2HB ASN 107 2HB ASN 107 12.848 3.424 -4.430 815 1HD2 ASN 107 2HD2 ASN 107 14.294 3.302 -6.116 816 2HD2 ASN 107 1HD2 ASN 107 14.589 4.605 -7.214 817 H VAL 108 H VAL 108 11.956 0.919 -5.023 818 HA VAL 108 HA VAL 108 13.298 0.416 -7.485 819 HB VAL 108 HB VAL 108 12.537 -1.538 -5.304 820 1HG1 VAL 108 1HG1 VAL 108 13.059 -2.673 -7.394 821 2HG1 VAL 108 2HG1 VAL 108 14.571 -1.773 -7.522 822 3HG1 VAL 108 3HG1 VAL 108 14.341 -2.931 -6.212 823 1HG2 VAL 108 1HG2 VAL 108 13.919 0.270 -4.449 824 2HG2 VAL 108 2HG2 VAL 108 14.841 -1.233 -4.516 825 3HG2 VAL 108 3HG2 VAL 108 15.089 0.009 -5.743 826 H LEU 109 H LEU 109 10.297 -0.824 -6.046 827 HA LEU 109 HA LEU 109 9.685 -2.609 -8.143 828 1HB LEU 109 1HB LEU 109 7.816 -1.286 -6.177 829 2HB LEU 109 2HB LEU 109 7.443 -2.694 -7.155 830 HG LEU 109 HG LEU 109 9.528 -2.561 -4.973 831 1HD1 LEU 109 1HD1 LEU 109 8.039 -4.099 -3.789 832 2HD1 LEU 109 2HD1 LEU 109 7.260 -2.548 -4.103 833 3HD1 LEU 109 3HD1 LEU 109 6.856 -3.952 -5.091 834 1HD2 LEU 109 1HD2 LEU 109 9.750 -4.971 -5.321 835 2HD2 LEU 109 2HD2 LEU 109 8.634 -4.879 -6.684 836 3HD2 LEU 109 3HD2 LEU 109 10.198 -4.068 -6.768 837 H ALA 110 H ALA 110 8.809 0.760 -7.555 838 HA ALA 110 HA ALA 110 6.971 1.024 -9.686 839 1HB ALA 110 1HB ALA 110 7.122 2.635 -7.844 840 2HB ALA 110 2HB ALA 110 8.708 3.145 -8.423 841 3HB ALA 110 3HB ALA 110 7.277 3.428 -9.413 842 H SER 111 H SER 111 10.464 1.265 -9.500 843 HA SER 111 HA SER 111 10.778 2.353 -12.133 844 1HB SER 111 1HB SER 111 12.807 1.055 -10.299 845 2HB SER 111 2HB SER 111 13.183 1.968 -11.761 846 HG SER 111 HG SER 111 12.183 2.875 -9.287 847 H GLU 112 H GLU 112 9.957 -0.684 -11.035 848 HA GLU 112 HA GLU 112 11.202 -2.104 -13.256 849 1HB GLU 112 1HB GLU 112 9.807 -2.899 -10.756 850 2HB GLU 112 2HB GLU 112 9.695 -3.999 -12.124 851 1HG GLU 112 1HG GLU 112 12.265 -2.967 -10.947 852 2HG GLU 112 2HG GLU 112 11.541 -4.538 -10.595 853 H GLY 113 H GLY 113 8.541 -0.233 -12.833 854 1HA GLY 113 1HA GLY 113 6.747 0.161 -14.227 855 2HA GLY 113 2HA GLY 113 7.338 -1.126 -15.269 856 H ARG 114 H ARG 114 6.831 -1.840 -11.942 857 HA ARG 114 HA ARG 114 4.582 -3.554 -12.687 858 1HB ARG 114 1HB ARG 114 6.312 -3.510 -10.207 859 2HB ARG 114 2HB ARG 114 4.959 -4.606 -10.453 860 1HG ARG 114 1HG ARG 114 6.085 -5.568 -12.388 861 2HG ARG 114 2HG ARG 114 7.439 -4.462 -12.150 862 1HD ARG 114 1HD ARG 114 7.830 -5.448 -9.932 863 2HD ARG 114 2HD ARG 114 6.502 -6.575 -10.211 864 HE ARG 114 HE ARG 114 7.922 -7.237 -12.254 865 1HH1 ARG 114 1HH1 ARG 114 9.128 -6.420 -9.068 866 2HH1 ARG 114 2HH1 ARG 114 10.645 -7.221 -9.302 867 1HH2 ARG 114 1HH2 ARG 114 9.909 -8.312 -12.552 868 2HH2 ARG 114 2HH2 ARG 114 11.099 -8.291 -11.286 869 H ARG 115 H ARG 115 2.593 -3.417 -11.729 870 HA ARG 115 HA ARG 115 1.890 -0.895 -10.580 871 1HB ARG 115 1HB ARG 115 0.252 -3.427 -10.807 872 2HB ARG 115 2HB ARG 115 -0.372 -1.840 -10.376 873 1HG ARG 115 1HG ARG 115 0.427 -1.018 -12.600 874 2HG ARG 115 2HG ARG 115 0.791 -2.695 -13.014 875 1HD ARG 115 1HD ARG 115 -1.366 -2.167 -13.897 876 2HD ARG 115 2HD ARG 115 -1.586 -3.257 -12.529 877 HE ARG 115 HE ARG 115 -1.855 -0.351 -12.125 878 1HH1 ARG 115 1HH1 ARG 115 -3.269 -3.555 -12.162 879 2HH1 ARG 115 2HH1 ARG 115 -4.765 -3.053 -11.444 880 1HH2 ARG 115 1HH2 ARG 115 -3.822 0.324 -11.183 881 2HH2 ARG 115 2HH2 ARG 115 -5.080 -0.832 -10.891 882 H VAL 116 H VAL 116 3.143 -0.734 -8.760 883 HA VAL 116 HA VAL 116 2.615 -2.592 -6.580 884 HB VAL 116 HB VAL 116 4.929 -2.121 -6.817 885 1HG1 VAL 116 1HG1 VAL 116 4.790 -0.099 -8.160 886 2HG1 VAL 116 2HG1 VAL 116 4.247 0.816 -6.754 887 3HG1 VAL 116 3HG1 VAL 116 5.875 0.139 -6.789 888 1HG2 VAL 116 1HG2 VAL 116 4.157 -2.196 -4.513 889 2HG2 VAL 116 2HG2 VAL 116 5.508 -1.074 -4.680 890 3HG2 VAL 116 3HG2 VAL 116 3.861 -0.457 -4.540 891 H ALA 117 H ALA 117 1.045 -2.199 -5.219 892 HA ALA 117 HA ALA 117 -0.171 0.440 -5.113 893 1HB ALA 117 1HB ALA 117 -1.611 -1.533 -5.308 894 2HB ALA 117 2HB ALA 117 -0.989 -2.137 -3.772 895 3HB ALA 117 3HB ALA 117 -1.931 -0.647 -3.816 896 H LEU 118 H LEU 118 0.978 1.811 -3.877 897 HA LEU 118 HA LEU 118 2.157 0.892 -1.392 898 1HB LEU 118 1HB LEU 118 3.344 2.472 -2.900 899 2HB LEU 118 2HB LEU 118 2.093 3.661 -2.596 900 HG LEU 118 HG LEU 118 2.727 3.690 -0.207 901 1HD1 LEU 118 1HD1 LEU 118 3.633 1.436 -0.029 902 2HD1 LEU 118 2HD1 LEU 118 4.965 1.877 -1.098 903 3HD1 LEU 118 3HD1 LEU 118 4.822 2.634 0.488 904 1HD2 LEU 118 1HD2 LEU 118 4.833 4.892 -0.508 905 2HD2 LEU 118 2HD2 LEU 118 4.991 4.213 -2.129 906 3HD2 LEU 118 3HD2 LEU 118 3.667 5.320 -1.761 907 H ALA 119 H ALA 119 0.574 0.476 0.041 908 HA ALA 119 HA ALA 119 -1.619 2.302 0.464 909 1HB ALA 119 1HB ALA 119 -0.753 -0.121 2.045 910 2HB ALA 119 2HB ALA 119 -2.259 0.770 2.270 911 3HB ALA 119 3HB ALA 119 -1.963 -0.097 0.763 912 H MET 120 H MET 120 -0.910 4.222 1.173 913 HA MET 120 HA MET 120 1.158 4.330 3.221 914 1HB MET 120 1HB MET 120 -0.152 6.465 1.539 915 2HB MET 120 2HB MET 120 1.036 6.804 2.786 916 1HG MET 120 1HG MET 120 1.688 4.906 0.577 917 2HG MET 120 2HG MET 120 1.753 6.643 0.301 918 1HE MET 120 1HE MET 120 3.313 3.575 2.136 919 2HE MET 120 2HE MET 120 2.697 4.491 3.511 920 3HE MET 120 3HE MET 120 4.437 4.332 3.266 921 H ILE 121 H ILE 121 0.107 3.721 5.083 922 HA ILE 121 HA ILE 121 -2.076 5.420 6.020 923 HB ILE 121 HB ILE 121 -0.663 3.139 7.430 924 1HG1 ILE 121 1HG1 ILE 121 -3.361 3.226 6.052 925 2HG1 ILE 121 2HG1 ILE 121 -1.929 2.403 5.445 926 1HG2 ILE 121 1HG2 ILE 121 -3.171 4.651 8.163 927 2HG2 ILE 121 2HG2 ILE 121 -2.545 3.235 9.008 928 3HG2 ILE 121 3HG2 ILE 121 -1.620 4.736 8.997 929 1HD1 ILE 121 1HD1 ILE 121 -3.490 0.846 6.461 930 2HD1 ILE 121 2HD1 ILE 121 -1.974 0.901 7.362 931 3HD1 ILE 121 3HD1 ILE 121 -3.399 1.734 7.983 932 H VAL 122 H VAL 122 -1.324 7.395 6.521 933 HA VAL 122 HA VAL 122 1.188 7.555 8.060 934 HB VAL 122 HB VAL 122 0.257 9.632 6.077 935 1HG1 VAL 122 1HG1 VAL 122 2.917 9.139 7.398 936 2HG1 VAL 122 2HG1 VAL 122 2.587 10.380 6.188 937 3HG1 VAL 122 3HG1 VAL 122 1.789 10.447 7.760 938 1HG2 VAL 122 1HG2 VAL 122 0.661 7.555 4.864 939 2HG2 VAL 122 2HG2 VAL 122 1.913 8.745 4.509 940 3HG2 VAL 122 3HG2 VAL 122 2.249 7.413 5.616 941 H GLY 123 H GLY 123 1.337 9.217 9.619 942 1HA GLY 123 1HA GLY 123 0.393 11.341 10.440 943 2HA GLY 123 2HA GLY 123 -1.192 10.623 10.191 944 H GLY 124 H GLY 124 -2.115 10.237 12.065 945 1HA GLY 124 1HA GLY 124 -2.041 8.583 13.942 946 2HA GLY 124 2HA GLY 124 -0.431 9.210 14.266 947 H LEU 125 H LEU 125 -3.684 9.465 15.003 948 HA LEU 125 HA LEU 125 -3.532 12.232 15.890 949 1HB LEU 125 1HB LEU 125 -5.806 10.251 16.058 950 2HB LEU 125 2HB LEU 125 -5.902 11.954 16.463 951 HG LEU 125 HG LEU 125 -5.363 10.831 13.713 952 1HD1 LEU 125 1HD1 LEU 125 -7.586 11.716 13.181 953 2HD1 LEU 125 2HD1 LEU 125 -7.654 10.466 14.422 954 3HD1 LEU 125 3HD1 LEU 125 -7.804 12.164 14.872 955 1HD2 LEU 125 1HD2 LEU 125 -5.622 13.158 12.967 956 2HD2 LEU 125 2HD2 LEU 125 -5.721 13.677 14.649 957 3HD2 LEU 125 3HD2 LEU 125 -4.233 12.957 14.033 958 H GLU 126 H GLU 126 -2.874 12.741 17.834 959 HA GLU 126 HA GLU 126 -2.388 12.701 20.046 960 1HB GLU 126 1HB GLU 126 -4.293 10.356 20.129 961 2HB GLU 126 2HB GLU 126 -3.606 11.143 21.545 962 1HG GLU 126 1HG GLU 126 -4.760 13.160 21.093 963 2HG GLU 126 2HG GLU 126 -5.246 12.599 19.493 964 H HIS 127 H HIS 127 -0.710 11.936 21.232 965 HA HIS 127 HA HIS 127 0.297 9.262 20.621 966 1HB HIS 127 1HB HIS 127 2.585 10.116 20.231 967 2HB HIS 127 2HB HIS 127 1.443 10.657 19.009 968 HD1 HIS 127 HD1 HIS 127 3.633 11.894 21.771 969 HD2 HIS 127 HD2 HIS 127 0.962 13.425 18.969 970 HE1 HIS 127 HE1 HIS 127 3.978 14.388 21.791 971 HE2 HIS 127 HE2 HIS 127 2.515 15.260 19.930 972 H HIS 128 H HIS 128 -0.021 11.901 22.825 973 HA HIS 128 HA HIS 128 1.598 10.379 24.758 974 1HB HIS 128 1HB HIS 128 2.685 12.514 24.007 975 2HB HIS 128 2HB HIS 128 1.341 13.387 24.734 976 HD1 HIS 128 HD1 HIS 128 3.003 14.545 26.386 977 HD2 HIS 128 HD2 HIS 128 2.805 10.400 26.750 978 HE1 HIS 128 HE1 HIS 128 4.131 13.995 28.567 979 HE2 HIS 128 HE2 HIS 128 4.067 11.479 28.736 980 H HIS 129 H HIS 129 -1.180 12.611 24.422 981 HA HIS 129 HA HIS 129 -1.806 12.206 27.226 982 1HB HIS 129 1HB HIS 129 -3.451 13.922 27.018 983 2HB HIS 129 2HB HIS 129 -2.017 14.458 26.160 984 HD1 HIS 129 HD1 HIS 129 -2.260 14.950 23.665 985 HD2 HIS 129 HD2 HIS 129 -5.701 13.369 25.385 986 HE1 HIS 129 HE1 HIS 129 -4.083 15.260 21.955 987 HE2 HIS 129 HE2 HIS 129 -6.162 14.310 23.024 988 H HIS 130 H HIS 130 -2.015 9.904 25.472 989 HA HIS 130 HA HIS 130 -4.817 9.256 26.041 990 1HB HIS 130 1HB HIS 130 -4.215 9.830 23.522 991 2HB HIS 130 2HB HIS 130 -3.618 8.174 23.525 992 HD1 HIS 130 HD1 HIS 130 -6.598 10.069 22.904 993 HD2 HIS 130 HD2 HIS 130 -5.767 6.309 24.492 994 HE1 HIS 130 HE1 HIS 130 -8.750 8.773 22.762 995 HE2 HIS 130 HE2 HIS 130 -8.275 6.592 23.929 996 H HIS 131 H HIS 131 -2.384 8.670 27.452 997 HA HIS 131 HA HIS 131 -2.166 5.762 27.034 998 1HB HIS 131 1HB HIS 131 -0.009 6.829 26.831 999 2HB HIS 131 2HB HIS 131 -0.247 7.710 28.334 1000 HD1 HIS 131 HD1 HIS 131 0.252 4.140 27.110 1001 HD2 HIS 131 HD2 HIS 131 0.693 6.434 30.559 1002 HE1 HIS 131 HE1 HIS 131 1.421 2.658 28.772 1003 HE2 HIS 131 HE2 HIS 131 1.578 4.023 30.887 1004 H HIS 132 H HIS 132 -3.808 4.974 28.239 1005 HA HIS 132 HA HIS 132 -4.414 5.882 30.865 1006 1HB HIS 132 1HB HIS 132 -5.760 3.752 31.020 1007 2HB HIS 132 2HB HIS 132 -6.187 4.811 29.684 1008 HD1 HIS 132 HD1 HIS 132 -5.716 3.968 27.296 1009 HD2 HIS 132 HD2 HIS 132 -4.706 1.252 30.284 1010 HE1 HIS 132 HE1 HIS 132 -5.346 1.773 26.123 1011 HE2 HIS 132 HE2 HIS 132 -4.582 0.185 27.925 Start of MODEL 14 1 1H MET 1 1HT MET 1 -3.755 25.665 -32.502 2 2H MET 1 2HT MET 1 -4.722 25.697 -31.111 3 3H MET 1 3HT MET 1 -5.008 24.540 -32.314 4 HA MET 1 HA MET 1 -3.901 23.562 -30.425 5 1HB MET 1 1HB MET 1 -2.052 22.489 -31.610 6 2HB MET 1 2HB MET 1 -3.458 22.630 -32.653 7 1HG MET 1 1HG MET 1 -1.122 24.525 -32.718 8 2HG MET 1 2HG MET 1 -1.273 23.106 -33.751 9 1HE MET 1 1HE MET 1 -1.940 26.056 -36.237 10 2HE MET 1 2HE MET 1 -0.961 24.630 -35.895 11 3HE MET 1 3HE MET 1 -0.818 26.062 -34.877 12 HA PRO 2 HA PRO 2 -0.861 26.117 -28.420 13 1HB PRO 2 1HB PRO 2 -0.171 24.456 -26.439 14 2HB PRO 2 2HB PRO 2 -1.779 25.188 -26.499 15 1HG PRO 2 1HG PRO 2 -0.924 22.426 -27.253 16 2HG PRO 2 2HG PRO 2 -2.389 22.956 -26.408 17 1HD PRO 2 1HD PRO 2 -2.250 22.348 -29.106 18 2HD PRO 2 2HD PRO 2 -3.496 23.366 -28.360 19 H LEU 3 H LEU 3 1.463 25.619 -27.405 20 HA LEU 3 HA LEU 3 3.035 24.526 -29.580 21 1HB LEU 3 1HB LEU 3 3.705 26.025 -27.067 22 2HB LEU 3 2HB LEU 3 4.962 25.223 -27.986 23 HG LEU 3 HG LEU 3 4.309 26.596 -29.971 24 1HD1 LEU 3 1HD1 LEU 3 2.021 27.128 -29.343 25 2HD1 LEU 3 2HD1 LEU 3 2.602 28.066 -27.969 26 3HD1 LEU 3 3HD1 LEU 3 2.955 28.598 -29.614 27 1HD2 LEU 3 1HD2 LEU 3 5.382 28.633 -29.177 28 2HD2 LEU 3 2HD2 LEU 3 5.115 28.132 -27.507 29 3HD2 LEU 3 3HD2 LEU 3 6.195 27.201 -28.545 30 H ASN 4 H ASN 4 1.760 22.473 -28.840 31 HA ASN 4 HA ASN 4 1.868 20.316 -28.208 32 1HB ASN 4 1HB ASN 4 4.791 20.988 -27.920 33 2HB ASN 4 2HB ASN 4 4.156 19.369 -27.651 34 1HD2 ASN 4 2HD2 ASN 4 5.224 18.435 -29.334 35 2HD2 ASN 4 1HD2 ASN 4 4.864 18.767 -30.991 36 H GLN 5 H GLN 5 4.378 21.408 -25.963 37 HA GLN 5 HA GLN 5 4.629 21.117 -23.735 38 1HB GLN 5 1HB GLN 5 1.635 21.511 -23.574 39 2HB GLN 5 2HB GLN 5 2.802 21.745 -22.279 40 1HG GLN 5 1HG GLN 5 3.844 23.548 -23.651 41 2HG GLN 5 2HG GLN 5 2.504 23.378 -24.783 42 1HE2 GLN 5 2HE2 GLN 5 3.275 25.676 -23.243 43 2HE2 GLN 5 1HE2 GLN 5 1.914 26.089 -22.248 44 H GLU 6 H GLU 6 5.108 18.906 -24.459 45 HA GLU 6 HA GLU 6 3.217 16.953 -23.331 46 1HB GLU 6 1HB GLU 6 4.922 16.539 -25.796 47 2HB GLU 6 2HB GLU 6 3.740 15.419 -25.133 48 1HG GLU 6 1HG GLU 6 1.945 16.955 -25.662 49 2HG GLU 6 2HG GLU 6 3.108 18.139 -26.257 50 H HIS 7 H HIS 7 4.795 14.701 -23.726 51 HA HIS 7 HA HIS 7 6.517 13.485 -22.897 52 1HB HIS 7 1HB HIS 7 7.880 16.167 -22.593 53 2HB HIS 7 2HB HIS 7 8.644 14.639 -22.164 54 HD1 HIS 7 HD1 HIS 7 9.773 13.379 -24.011 55 HD2 HIS 7 HD2 HIS 7 7.269 16.381 -25.434 56 HE1 HIS 7 HE1 HIS 7 10.178 13.482 -26.489 57 HE2 HIS 7 HE2 HIS 7 8.496 15.147 -27.351 58 HA PRO 8 HA PRO 8 5.017 13.377 -18.787 59 1HB PRO 8 1HB PRO 8 6.946 11.235 -18.277 60 2HB PRO 8 2HB PRO 8 5.184 11.164 -18.326 61 1HG PRO 8 1HG PRO 8 6.728 10.044 -20.237 62 2HG PRO 8 2HG PRO 8 5.131 10.730 -20.584 63 1HD PRO 8 1HD PRO 8 7.843 11.900 -21.063 64 2HD PRO 8 2HD PRO 8 6.397 11.947 -22.093 65 H ASP 9 H ASP 9 5.543 14.776 -17.249 66 HA ASP 9 HA ASP 9 8.338 14.907 -16.360 67 1HB ASP 9 1HB ASP 9 7.745 17.076 -15.322 68 2HB ASP 9 2HB ASP 9 7.490 17.078 -17.061 69 H TYR 10 H TYR 10 8.822 13.940 -14.515 70 HA TYR 10 HA TYR 10 6.604 12.932 -12.926 71 1HB TYR 10 1HB TYR 10 8.302 11.477 -11.827 72 2HB TYR 10 2HB TYR 10 8.168 11.233 -13.560 73 HD1 TYR 10 HD1 TYR 10 10.372 11.889 -10.836 74 HD2 TYR 10 HD2 TYR 10 9.961 12.338 -15.049 75 HE1 TYR 10 HE1 TYR 10 12.807 12.136 -11.042 76 HE2 TYR 10 HE2 TYR 10 12.398 12.592 -15.263 77 HH TYR 10 HH TYR 10 14.550 11.823 -12.751 78 H THR 11 H THR 11 6.020 14.878 -11.981 79 HA THR 11 HA THR 11 7.884 16.108 -10.116 80 HB THR 11 HB THR 11 6.415 17.539 -11.506 81 HG1 THR 11 HG1 THR 11 6.161 17.606 -8.678 82 1HG2 THR 11 1HG2 THR 11 4.021 17.691 -11.002 83 2HG2 THR 11 2HG2 THR 11 4.450 16.088 -11.603 84 3HG2 THR 11 3HG2 THR 11 4.171 16.338 -9.880 85 H TYR 12 H TYR 12 6.165 13.408 -10.013 86 HA TYR 12 HA TYR 12 5.051 13.787 -7.332 87 1HB TYR 12 1HB TYR 12 4.791 11.404 -9.180 88 2HB TYR 12 2HB TYR 12 3.916 11.659 -7.676 89 HD1 TYR 12 HD1 TYR 12 2.375 13.738 -7.565 90 HD2 TYR 12 HD2 TYR 12 3.875 12.109 -11.197 91 HE1 TYR 12 HE1 TYR 12 0.568 14.856 -8.805 92 HE2 TYR 12 HE2 TYR 12 2.077 13.225 -12.449 93 HH TYR 12 HH TYR 12 -0.258 14.075 -11.945 94 H ALA 13 H ALA 13 6.576 13.548 -5.822 95 HA ALA 13 HA ALA 13 8.043 11.021 -5.758 96 1HB ALA 13 1HB ALA 13 9.367 13.702 -5.338 97 2HB ALA 13 2HB ALA 13 10.131 12.123 -5.156 98 3HB ALA 13 3HB ALA 13 9.584 12.661 -6.746 99 H LEU 14 H LEU 14 8.692 10.391 -3.638 100 HA LEU 14 HA LEU 14 6.856 11.097 -1.611 101 1HB LEU 14 1HB LEU 14 9.379 9.465 -1.606 102 2HB LEU 14 2HB LEU 14 8.504 9.788 -0.122 103 HG LEU 14 HG LEU 14 7.860 7.627 -0.883 104 1HD1 LEU 14 1HD1 LEU 14 5.450 7.895 -1.210 105 2HD1 LEU 14 2HD1 LEU 14 6.068 8.968 0.048 106 3HD1 LEU 14 3HD1 LEU 14 5.693 9.609 -1.552 107 1HD2 LEU 14 1HD2 LEU 14 7.192 8.895 -3.537 108 2HD2 LEU 14 2HD2 LEU 14 8.543 7.809 -3.211 109 3HD2 LEU 14 3HD2 LEU 14 6.885 7.217 -3.089 110 H ARG 15 H ARG 15 10.299 11.809 -2.045 111 HA ARG 15 HA ARG 15 11.535 13.634 -1.540 112 1HB ARG 15 1HB ARG 15 9.479 14.863 -2.323 113 2HB ARG 15 2HB ARG 15 8.988 14.982 -0.638 114 1HG ARG 15 1HG ARG 15 10.951 16.282 -0.114 115 2HG ARG 15 2HG ARG 15 11.562 16.077 -1.756 116 1HD ARG 15 1HD ARG 15 9.489 17.234 -2.568 117 2HD ARG 15 2HD ARG 15 9.106 17.591 -0.885 118 HE ARG 15 HE ARG 15 11.646 18.525 -1.183 119 1HH1 ARG 15 1HH1 ARG 15 8.608 19.102 -2.853 120 2HH1 ARG 15 2HH1 ARG 15 9.056 20.700 -3.374 121 1HH2 ARG 15 1HH2 ARG 15 12.220 20.625 -1.853 122 2HH2 ARG 15 2HH2 ARG 15 11.114 21.562 -2.806 123 H ALA 16 H ALA 16 9.010 13.692 0.978 124 HA ALA 16 HA ALA 16 11.105 13.243 2.989 125 1HB ALA 16 1HB ALA 16 10.650 15.648 2.945 126 2HB ALA 16 2HB ALA 16 8.933 15.332 3.193 127 3HB ALA 16 3HB ALA 16 10.096 14.924 4.454 128 H ALA 17 H ALA 17 10.566 11.268 3.662 129 HA ALA 17 HA ALA 17 7.783 10.810 4.512 130 1HB ALA 17 1HB ALA 17 7.991 8.480 3.793 131 2HB ALA 17 2HB ALA 17 8.231 9.587 2.442 132 3HB ALA 17 3HB ALA 17 9.619 8.805 3.197 133 H ASP 18 H ASP 18 7.829 10.783 6.669 134 HA ASP 18 HA ASP 18 10.132 9.557 8.003 135 1HB ASP 18 1HB ASP 18 9.112 10.648 10.091 136 2HB ASP 18 2HB ASP 18 9.858 11.702 8.898 137 H GLY 19 H GLY 19 6.636 9.761 8.654 138 1HA GLY 19 1HA GLY 19 5.989 7.098 8.555 139 2HA GLY 19 2HA GLY 19 6.667 7.329 10.161 140 H ARG 20 H ARG 20 5.613 10.184 10.073 141 HA ARG 20 HA ARG 20 2.890 9.483 10.911 142 1HB ARG 20 1HB ARG 20 4.331 12.106 11.342 143 2HB ARG 20 2HB ARG 20 2.847 11.568 12.117 144 1HG ARG 20 1HG ARG 20 4.265 9.643 13.045 145 2HG ARG 20 2HG ARG 20 5.650 10.629 12.580 146 1HD ARG 20 1HD ARG 20 3.461 11.324 14.524 147 2HD ARG 20 2HD ARG 20 5.168 11.076 14.873 148 HE ARG 20 HE ARG 20 4.203 13.335 13.238 149 1HH1 ARG 20 1HH1 ARG 20 6.217 12.043 15.790 150 2HH1 ARG 20 2HH1 ARG 20 6.924 13.579 16.188 151 1HH2 ARG 20 1HH2 ARG 20 5.088 15.363 13.782 152 2HH2 ARG 20 2HH2 ARG 20 6.263 15.469 15.063 153 H HIS 21 H HIS 21 4.661 11.107 8.465 154 HA HIS 21 HA HIS 21 2.279 11.444 6.912 155 1HB HIS 21 1HB HIS 21 2.609 13.875 6.468 156 2HB HIS 21 2HB HIS 21 2.107 13.530 8.115 157 HD1 HIS 21 HD1 HIS 21 3.242 15.023 9.695 158 HD2 HIS 21 HD2 HIS 21 5.715 14.033 6.500 159 HE1 HIS 21 HE1 HIS 21 5.413 16.213 10.121 160 HE2 HIS 21 HE2 HIS 21 6.958 15.403 8.310 161 H ALA 22 H ALA 22 2.729 12.008 4.697 162 HA ALA 22 HA ALA 22 5.578 11.953 3.949 163 1HB ALA 22 1HB ALA 22 3.362 10.436 2.566 164 2HB ALA 22 2HB ALA 22 5.038 10.530 2.028 165 3HB ALA 22 3HB ALA 22 4.644 9.724 3.547 166 H LYS 23 H LYS 23 6.114 13.570 2.562 167 HA LYS 23 HA LYS 23 3.882 15.233 1.630 168 1HB LYS 23 1HB LYS 23 5.595 16.295 3.089 169 2HB LYS 23 2HB LYS 23 6.802 15.978 1.847 170 1HG LYS 23 1HG LYS 23 5.602 17.389 0.283 171 2HG LYS 23 2HG LYS 23 4.340 17.671 1.482 172 1HD LYS 23 1HD LYS 23 6.088 18.671 2.963 173 2HD LYS 23 2HD LYS 23 7.222 18.542 1.614 174 1HE LYS 23 1HE LYS 23 5.720 19.922 0.247 175 2HE LYS 23 2HE LYS 23 4.629 20.078 1.621 176 1HZ LYS 23 1HZ LYS 23 7.421 21.069 1.474 177 2HZ LYS 23 2HZ LYS 23 6.013 22.012 1.430 178 3HZ LYS 23 3HZ LYS 23 6.426 21.169 2.845 179 H VAL 24 H VAL 24 3.272 14.557 -0.329 180 HA VAL 24 HA VAL 24 5.266 13.685 -2.262 181 HB VAL 24 HB VAL 24 2.255 13.822 -2.548 182 1HG1 VAL 24 1HG1 VAL 24 3.402 13.833 -4.695 183 2HG1 VAL 24 2HG1 VAL 24 4.330 12.410 -4.222 184 3HG1 VAL 24 3HG1 VAL 24 2.584 12.293 -4.436 185 1HG2 VAL 24 1HG2 VAL 24 4.031 11.496 -1.823 186 2HG2 VAL 24 2HG2 VAL 24 2.869 12.295 -0.766 187 3HG2 VAL 24 3HG2 VAL 24 2.306 11.390 -2.171 188 H ASN 25 H ASN 25 6.228 15.119 -3.461 189 HA ASN 25 HA ASN 25 6.716 16.931 -4.726 190 1HB ASN 25 1HB ASN 25 4.725 16.325 -6.058 191 2HB ASN 25 2HB ASN 25 3.718 17.285 -4.979 192 1HD2 ASN 25 2HD2 ASN 25 3.026 18.712 -6.514 193 2HD2 ASN 25 1HD2 ASN 25 4.066 19.875 -7.279 194 H GLU 26 H GLU 26 3.720 18.249 -3.391 195 HA GLU 26 HA GLU 26 5.253 19.942 -1.567 196 1HB GLU 26 1HB GLU 26 4.966 21.127 -3.773 197 2HB GLU 26 2HB GLU 26 3.230 21.070 -3.512 198 1HG GLU 26 1HG GLU 26 4.203 23.241 -2.929 199 2HG GLU 26 2HG GLU 26 3.435 22.456 -1.550 200 H GLN 27 H GLN 27 2.952 17.756 -1.843 201 HA GLN 27 HA GLN 27 1.038 19.102 -0.059 202 1HB GLN 27 1HB GLN 27 0.661 16.654 -1.794 203 2HB GLN 27 2HB GLN 27 -0.560 17.338 -0.731 204 1HG GLN 27 1HG GLN 27 -0.519 19.413 -2.041 205 2HG GLN 27 2HG GLN 27 0.668 18.687 -3.124 206 1HE2 GLN 27 2HE2 GLN 27 0.022 17.092 -4.559 207 2HE2 GLN 27 1HE2 GLN 27 -1.642 16.776 -4.901 208 H ILE 28 H ILE 28 1.098 18.542 2.016 209 HA ILE 28 HA ILE 28 2.667 16.225 2.817 210 HB ILE 28 HB ILE 28 1.260 18.253 4.568 211 1HG1 ILE 28 1HG1 ILE 28 4.152 18.087 3.684 212 2HG1 ILE 28 2HG1 ILE 28 2.988 19.313 3.193 213 1HG2 ILE 28 1HG2 ILE 28 3.345 16.169 5.211 214 2HG2 ILE 28 2HG2 ILE 28 2.753 17.394 6.332 215 3HG2 ILE 28 3HG2 ILE 28 1.657 16.154 5.719 216 1HD1 ILE 28 1HD1 ILE 28 4.014 18.875 5.989 217 2HD1 ILE 28 2HD1 ILE 28 4.512 20.157 4.885 218 3HD1 ILE 28 3HD1 ILE 28 2.856 20.110 5.493 219 H LEU 29 H LEU 29 1.569 14.379 2.516 220 HA LEU 29 HA LEU 29 -1.251 14.252 3.238 221 1HB LEU 29 1HB LEU 29 0.553 12.216 1.930 222 2HB LEU 29 2HB LEU 29 -1.164 12.002 2.214 223 HG LEU 29 HG LEU 29 0.066 14.095 0.416 224 1HD1 LEU 29 1HD1 LEU 29 -1.455 11.576 -0.241 225 2HD1 LEU 29 2HD1 LEU 29 -0.921 12.793 -1.400 226 3HD1 LEU 29 3HD1 LEU 29 0.268 11.850 -0.503 227 1HD2 LEU 29 1HD2 LEU 29 -2.007 14.864 1.447 228 2HD2 LEU 29 2HD2 LEU 29 -2.235 14.547 -0.273 229 3HD2 LEU 29 3HD2 LEU 29 -2.824 13.392 0.922 230 H GLN 30 H GLN 30 -1.524 14.061 5.351 231 HA GLN 30 HA GLN 30 -0.021 11.981 6.787 232 1HB GLN 30 1HB GLN 30 -0.887 13.162 8.851 233 2HB GLN 30 2HB GLN 30 0.261 14.073 7.882 234 1HG GLN 30 1HG GLN 30 -1.614 15.305 6.866 235 2HG GLN 30 2HG GLN 30 -2.728 14.429 7.915 236 1HE2 GLN 30 2HE2 GLN 30 -3.426 16.334 8.885 237 2HE2 GLN 30 1HE2 GLN 30 -2.450 17.206 10.016 238 H GLN 31 H GLN 31 -1.810 10.960 5.166 239 HA GLN 31 HA GLN 31 -4.013 10.089 6.885 240 1HB GLN 31 1HB GLN 31 -4.323 11.007 4.016 241 2HB GLN 31 2HB GLN 31 -5.581 10.235 4.968 242 1HG GLN 31 1HG GLN 31 -5.713 12.101 6.441 243 2HG GLN 31 2HG GLN 31 -4.284 12.842 5.719 244 1HE2 GLN 31 2HE2 GLN 31 -6.719 11.251 3.806 245 2HE2 GLN 31 1HE2 GLN 31 -7.350 12.679 3.065 246 H SER 32 H SER 32 -5.255 8.313 5.413 247 HA SER 32 HA SER 32 -3.233 6.419 4.517 248 1HB SER 32 1HB SER 32 -6.228 6.040 4.778 249 2HB SER 32 2HB SER 32 -5.014 4.776 4.580 250 HG SER 32 HG SER 32 -5.921 5.575 6.826 251 H PHE 33 H PHE 33 -2.640 6.567 2.436 252 HA PHE 33 HA PHE 33 -4.726 7.124 0.448 253 1HB PHE 33 1HB PHE 33 -3.241 8.665 -0.755 254 2HB PHE 33 2HB PHE 33 -3.618 9.249 0.859 255 HD1 PHE 33 HD1 PHE 33 -1.013 8.167 -1.411 256 HD2 PHE 33 HD2 PHE 33 -1.894 9.186 2.628 257 HE1 PHE 33 HE1 PHE 33 1.388 8.469 -0.964 258 HE2 PHE 33 HE2 PHE 33 0.506 9.486 3.079 259 HZ PHE 33 HZ PHE 33 2.149 9.130 1.282 260 H ILE 34 H ILE 34 -4.366 6.360 -1.622 261 HA ILE 34 HA ILE 34 -2.386 4.188 -1.784 262 HB ILE 34 HB ILE 34 -4.847 4.598 -3.494 263 1HG1 ILE 34 1HG1 ILE 34 -4.466 2.677 -1.185 264 2HG1 ILE 34 2HG1 ILE 34 -5.374 4.182 -1.083 265 1HG2 ILE 34 1HG2 ILE 34 -4.474 2.265 -4.153 266 2HG2 ILE 34 2HG2 ILE 34 -3.097 3.285 -4.570 267 3HG2 ILE 34 3HG2 ILE 34 -3.014 2.222 -3.164 268 1HD1 ILE 34 1HD1 ILE 34 -6.029 1.845 -2.862 269 2HD1 ILE 34 2HD1 ILE 34 -6.847 2.275 -1.360 270 3HD1 ILE 34 3HD1 ILE 34 -6.940 3.351 -2.754 271 H LEU 35 H LEU 35 -0.620 4.708 -2.896 272 HA LEU 35 HA LEU 35 -0.832 6.728 -5.021 273 1HB LEU 35 1HB LEU 35 0.716 7.302 -3.239 274 2HB LEU 35 2HB LEU 35 1.557 5.778 -3.441 275 HG LEU 35 HG LEU 35 2.289 6.487 -5.688 276 1HD1 LEU 35 1HD1 LEU 35 0.980 9.108 -4.981 277 2HD1 LEU 35 2HD1 LEU 35 1.997 8.805 -6.389 278 3HD1 LEU 35 3HD1 LEU 35 0.444 7.984 -6.230 279 1HD2 LEU 35 1HD2 LEU 35 3.745 6.880 -3.794 280 2HD2 LEU 35 2HD2 LEU 35 3.876 8.211 -4.944 281 3HD2 LEU 35 3HD2 LEU 35 2.941 8.415 -3.464 282 H MET 36 H MET 36 -0.925 5.966 -7.001 283 HA MET 36 HA MET 36 0.779 3.673 -7.705 284 1HB MET 36 1HB MET 36 -1.968 4.336 -8.792 285 2HB MET 36 2HB MET 36 -0.920 3.074 -9.422 286 1HG MET 36 1HG MET 36 -0.986 1.995 -7.180 287 2HG MET 36 2HG MET 36 -2.182 3.195 -6.696 288 1HE MET 36 1HE MET 36 -1.736 1.372 -10.175 289 2HE MET 36 2HE MET 36 -2.836 0.008 -9.969 290 3HE MET 36 3HE MET 36 -1.382 0.128 -8.975 291 HA PRO 37 HA PRO 37 2.874 5.931 -10.795 292 1HB PRO 37 1HB PRO 37 1.664 4.211 -12.912 293 2HB PRO 37 2HB PRO 37 3.359 4.611 -12.616 294 1HG PRO 37 1HG PRO 37 2.405 2.237 -11.919 295 2HG PRO 37 2HG PRO 37 3.550 3.092 -10.870 296 1HD PRO 37 1HD PRO 37 0.603 2.740 -10.574 297 2HD PRO 37 2HD PRO 37 1.866 2.790 -9.328 298 H ASP 38 H ASP 38 -0.531 5.348 -11.602 299 HA ASP 38 HA ASP 38 -0.509 7.924 -13.040 300 1HB ASP 38 1HB ASP 38 -0.887 6.176 -14.640 301 2HB ASP 38 2HB ASP 38 -2.117 5.435 -13.626 302 H GLU 39 H GLU 39 -2.167 5.893 -10.734 303 HA GLU 39 HA GLU 39 -4.226 7.973 -10.427 304 1HB GLU 39 1HB GLU 39 -4.884 5.625 -11.178 305 2HB GLU 39 2HB GLU 39 -4.472 5.103 -9.553 306 1HG GLU 39 1HG GLU 39 -6.202 6.383 -8.594 307 2HG GLU 39 2HG GLU 39 -6.472 7.275 -10.094 308 H LEU 40 H LEU 40 -4.481 8.951 -8.525 309 HA LEU 40 HA LEU 40 -3.110 7.841 -6.174 310 1HB LEU 40 1HB LEU 40 -1.806 9.718 -6.930 311 2HB LEU 40 2HB LEU 40 -3.239 10.716 -7.081 312 HG LEU 40 HG LEU 40 -3.520 10.669 -4.628 313 1HD1 LEU 40 1HD1 LEU 40 -0.883 9.210 -4.634 314 2HD1 LEU 40 2HD1 LEU 40 -1.728 9.823 -3.214 315 3HD1 LEU 40 3HD1 LEU 40 -2.443 8.528 -4.174 316 1HD2 LEU 40 1HD2 LEU 40 -2.301 12.495 -5.699 317 2HD2 LEU 40 2HD2 LEU 40 -1.648 12.136 -4.100 318 3HD2 LEU 40 3HD2 LEU 40 -0.798 11.586 -5.544 319 H VAL 41 H VAL 41 -4.562 7.289 -4.710 320 HA VAL 41 HA VAL 41 -7.006 8.926 -4.467 321 HB VAL 41 HB VAL 41 -6.671 6.034 -3.639 322 1HG1 VAL 41 1HG1 VAL 41 -9.109 6.069 -3.382 323 2HG1 VAL 41 2HG1 VAL 41 -8.323 7.232 -2.314 324 3HG1 VAL 41 3HG1 VAL 41 -9.123 7.787 -3.785 325 1HG2 VAL 41 1HG2 VAL 41 -8.067 7.186 -6.054 326 2HG2 VAL 41 2HG2 VAL 41 -6.588 6.226 -6.062 327 3HG2 VAL 41 3HG2 VAL 41 -8.110 5.495 -5.553 328 H GLU 42 H GLU 42 -6.322 10.389 -2.953 329 HA GLU 42 HA GLU 42 -4.908 9.470 -0.594 330 1HB GLU 42 1HB GLU 42 -4.502 11.737 -0.098 331 2HB GLU 42 2HB GLU 42 -4.387 11.622 -1.845 332 1HG GLU 42 1HG GLU 42 -6.651 12.765 -0.230 333 2HG GLU 42 2HG GLU 42 -5.538 13.630 -1.283 334 H HIS 43 H HIS 43 -8.074 9.634 -1.500 335 HA HIS 43 HA HIS 43 -8.979 10.045 1.257 336 1HB HIS 43 1HB HIS 43 -11.290 10.253 0.235 337 2HB HIS 43 2HB HIS 43 -10.168 11.555 -0.124 338 HD1 HIS 43 HD1 HIS 43 -9.323 11.760 -2.573 339 HD2 HIS 43 HD2 HIS 43 -12.189 8.800 -1.970 340 HE1 HIS 43 HE1 HIS 43 -10.135 11.117 -4.866 341 HE2 HIS 43 HE2 HIS 43 -12.052 9.540 -4.448 342 H TRP 44 H TRP 44 -8.144 7.932 1.737 343 HA TRP 44 HA TRP 44 -9.985 5.786 0.921 344 1HB TRP 44 1HB TRP 44 -7.543 5.448 0.438 345 2HB TRP 44 2HB TRP 44 -7.235 5.525 2.168 346 HD1 TRP 44 HD1 TRP 44 -10.275 3.589 0.910 347 HE1 TRP 44 HE1 TRP 44 -9.891 1.078 1.328 348 HE3 TRP 44 HE3 TRP 44 -5.376 3.757 2.359 349 HZ2 TRP 44 HZ2 TRP 44 -7.779 -0.607 2.148 350 HZ3 TRP 44 HZ3 TRP 44 -4.245 1.650 2.938 351 HH2 TRP 44 HH2 TRP 44 -5.422 -0.486 2.834 352 HA PRO 45 HA PRO 45 -11.642 6.529 4.994 353 1HB PRO 45 1HB PRO 45 -13.322 4.184 4.446 354 2HB PRO 45 2HB PRO 45 -13.790 5.864 4.719 355 1HG PRO 45 1HG PRO 45 -13.974 4.723 2.296 356 2HG PRO 45 2HG PRO 45 -13.549 6.432 2.496 357 1HD PRO 45 1HD PRO 45 -11.762 4.088 1.945 358 2HD PRO 45 2HD PRO 45 -11.738 5.715 1.229 359 H VAL 46 H VAL 46 -9.346 5.497 5.499 360 HA VAL 46 HA VAL 46 -9.977 3.356 7.412 361 HB VAL 46 HB VAL 46 -7.411 3.528 5.806 362 1HG1 VAL 46 1HG1 VAL 46 -6.771 1.469 6.958 363 2HG1 VAL 46 2HG1 VAL 46 -7.014 2.792 8.101 364 3HG1 VAL 46 3HG1 VAL 46 -8.247 1.544 7.921 365 1HG2 VAL 46 1HG2 VAL 46 -9.596 1.447 5.769 366 2HG2 VAL 46 2HG2 VAL 46 -9.259 2.621 4.496 367 3HG2 VAL 46 3HG2 VAL 46 -8.077 1.368 4.874 368 HA PRO 47 HA PRO 47 -8.394 6.953 9.725 369 1HB PRO 47 1HB PRO 47 -9.613 5.506 11.982 370 2HB PRO 47 2HB PRO 47 -9.913 7.148 11.408 371 1HG PRO 47 1HG PRO 47 -11.719 5.190 11.071 372 2HG PRO 47 2HG PRO 47 -11.484 6.464 9.858 373 1HD PRO 47 1HD PRO 47 -10.480 3.639 9.859 374 2HD PRO 47 2HD PRO 47 -11.162 4.590 8.523 375 H SER 48 H SER 48 -8.208 3.547 10.664 376 HA SER 48 HA SER 48 -5.402 3.809 11.227 377 1HB SER 48 1HB SER 48 -7.324 3.078 13.449 378 2HB SER 48 2HB SER 48 -5.577 2.859 13.531 379 HG SER 48 HG SER 48 -6.270 5.384 12.769 380 H LEU 49 H LEU 49 -4.509 1.632 11.951 381 HA LEU 49 HA LEU 49 -5.203 -0.265 9.990 382 1HB LEU 49 1HB LEU 49 -3.482 -0.575 12.449 383 2HB LEU 49 2HB LEU 49 -3.520 -1.683 11.089 384 HG LEU 49 HG LEU 49 -2.683 1.211 10.898 385 1HD1 LEU 49 1HD1 LEU 49 -0.410 0.357 10.706 386 2HD1 LEU 49 2HD1 LEU 49 -1.119 -0.060 12.266 387 3HD1 LEU 49 3HD1 LEU 49 -0.993 -1.281 11.001 388 1HD2 LEU 49 1HD2 LEU 49 -3.582 0.295 8.826 389 2HD2 LEU 49 2HD2 LEU 49 -1.842 0.558 8.701 390 3HD2 LEU 49 3HD2 LEU 49 -2.474 -1.072 8.940 391 H GLY 50 H GLY 50 -6.466 0.278 13.114 392 1HA GLY 50 1HA GLY 50 -7.330 -2.366 13.720 393 2HA GLY 50 2HA GLY 50 -7.963 -0.883 14.421 394 H GLN 51 H GLN 51 -8.340 -0.141 11.390 395 HA GLN 51 HA GLN 51 -10.880 -1.593 11.059 396 1HB GLN 51 1HB GLN 51 -10.195 1.268 10.362 397 2HB GLN 51 2HB GLN 51 -11.660 0.458 9.823 398 1HG GLN 51 1HG GLN 51 -12.349 0.136 12.134 399 2HG GLN 51 2HG GLN 51 -10.868 0.913 12.691 400 1HE2 GLN 51 2HE2 GLN 51 -12.018 2.496 13.785 401 2HE2 GLN 51 1HE2 GLN 51 -12.835 3.784 12.949 402 H LEU 52 H LEU 52 -8.026 -2.000 10.064 403 HA LEU 52 HA LEU 52 -8.283 -1.682 7.205 404 1HB LEU 52 1HB LEU 52 -6.092 -1.513 8.394 405 2HB LEU 52 2HB LEU 52 -6.201 -3.224 8.756 406 HG LEU 52 HG LEU 52 -6.127 -3.750 6.362 407 1HD1 LEU 52 1HD1 LEU 52 -5.810 -0.774 5.997 408 2HD1 LEU 52 2HD1 LEU 52 -5.614 -1.991 4.736 409 3HD1 LEU 52 3HD1 LEU 52 -7.191 -1.747 5.488 410 1HD2 LEU 52 1HD2 LEU 52 -3.903 -1.918 7.256 411 2HD2 LEU 52 2HD2 LEU 52 -4.047 -3.636 7.634 412 3HD2 LEU 52 3HD2 LEU 52 -3.803 -3.117 5.966 413 H GLN 53 H GLN 53 -10.360 -2.844 7.382 414 HA GLN 53 HA GLN 53 -10.063 -5.768 7.272 415 1HB GLN 53 1HB GLN 53 -12.491 -3.999 7.676 416 2HB GLN 53 2HB GLN 53 -12.567 -5.747 7.506 417 1HG GLN 53 1HG GLN 53 -10.909 -4.448 9.635 418 2HG GLN 53 2HG GLN 53 -12.630 -4.762 9.859 419 1HE2 GLN 53 2HE2 GLN 53 -12.118 -6.170 11.571 420 2HE2 GLN 53 1HE2 GLN 53 -11.539 -7.769 11.267 421 HA PRO 54 HA PRO 54 -10.924 -5.748 2.924 422 1HB PRO 54 1HB PRO 54 -12.764 -7.747 2.612 423 2HB PRO 54 2HB PRO 54 -11.037 -8.028 2.855 424 1HG PRO 54 1HG PRO 54 -13.282 -8.202 4.803 425 2HG PRO 54 2HG PRO 54 -11.835 -9.212 4.661 426 1HD PRO 54 1HD PRO 54 -12.125 -7.248 6.531 427 2HD PRO 54 2HD PRO 54 -10.555 -7.762 5.887 428 H ALA 55 H ALA 55 -13.327 -5.056 5.194 429 HA ALA 55 HA ALA 55 -15.364 -4.283 3.298 430 1HB ALA 55 1HB ALA 55 -15.981 -5.044 5.538 431 2HB ALA 55 2HB ALA 55 -15.116 -3.680 6.246 432 3HB ALA 55 3HB ALA 55 -16.541 -3.398 5.246 433 H HIS 56 H HIS 56 -12.440 -3.021 4.233 434 HA HIS 56 HA HIS 56 -13.235 -0.321 3.348 435 1HB HIS 56 1HB HIS 56 -11.151 -1.064 5.416 436 2HB HIS 56 2HB HIS 56 -11.295 0.542 4.712 437 HD1 HIS 56 HD1 HIS 56 -12.712 2.125 6.002 438 HD2 HIS 56 HD2 HIS 56 -13.656 -1.845 6.818 439 HE1 HIS 56 HE1 HIS 56 -14.453 2.196 7.817 440 HE2 HIS 56 HE2 HIS 56 -15.114 -0.212 8.190 441 H MET 57 H MET 57 -10.839 -2.876 3.343 442 HA MET 57 HA MET 57 -9.148 -1.505 1.426 443 1HB MET 57 1HB MET 57 -8.264 -2.924 3.317 444 2HB MET 57 2HB MET 57 -8.907 -4.329 2.482 445 1HG MET 57 1HG MET 57 -7.444 -3.892 0.588 446 2HG MET 57 2HG MET 57 -6.818 -2.453 1.392 447 1HE MET 57 1HE MET 57 -4.315 -3.317 1.093 448 2HE MET 57 2HE MET 57 -4.939 -4.735 0.249 449 3HE MET 57 3HE MET 57 -3.785 -4.931 1.568 450 H ASP 58 H ASP 58 -12.002 -2.879 1.102 451 HA ASP 58 HA ASP 58 -11.835 -4.930 -0.772 452 1HB ASP 58 1HB ASP 58 -13.915 -4.346 0.360 453 2HB ASP 58 2HB ASP 58 -13.962 -2.798 -0.478 454 H ALA 59 H ALA 59 -11.885 -1.436 -1.237 455 HA ALA 59 HA ALA 59 -12.068 -1.356 -4.018 456 1HB ALA 59 1HB ALA 59 -10.596 0.556 -2.206 457 2HB ALA 59 2HB ALA 59 -11.124 0.884 -3.857 458 3HB ALA 59 3HB ALA 59 -12.317 0.614 -2.587 459 H VAL 60 H VAL 60 -9.261 -1.753 -1.919 460 HA VAL 60 HA VAL 60 -7.321 -1.563 -3.999 461 HB VAL 60 HB VAL 60 -7.010 -2.926 -1.318 462 1HG1 VAL 60 1HG1 VAL 60 -4.634 -2.380 -1.598 463 2HG1 VAL 60 2HG1 VAL 60 -5.223 -3.429 -2.889 464 3HG1 VAL 60 3HG1 VAL 60 -4.982 -1.709 -3.191 465 1HG2 VAL 60 1HG2 VAL 60 -6.156 -0.783 -0.494 466 2HG2 VAL 60 2HG2 VAL 60 -6.560 -0.031 -2.038 467 3HG2 VAL 60 3HG2 VAL 60 -7.841 -0.658 -1.002 468 H LEU 61 H LEU 61 -9.023 -4.210 -2.411 469 HA LEU 61 HA LEU 61 -7.583 -6.324 -3.614 470 1HB LEU 61 1HB LEU 61 -10.427 -6.304 -2.596 471 2HB LEU 61 2HB LEU 61 -9.470 -7.735 -2.926 472 HG LEU 61 HG LEU 61 -8.846 -5.680 -0.805 473 1HD1 LEU 61 1HD1 LEU 61 -9.486 -7.439 0.773 474 2HD1 LEU 61 2HD1 LEU 61 -10.837 -6.965 -0.258 475 3HD1 LEU 61 3HD1 LEU 61 -9.969 -8.469 -0.575 476 1HD2 LEU 61 1HD2 LEU 61 -7.172 -7.294 -0.053 477 2HD2 LEU 61 2HD2 LEU 61 -7.558 -8.336 -1.422 478 3HD2 LEU 61 3HD2 LEU 61 -6.843 -6.748 -1.698 479 H ALA 62 H ALA 62 -10.441 -4.511 -4.580 480 HA ALA 62 HA ALA 62 -10.938 -6.176 -6.886 481 1HB ALA 62 1HB ALA 62 -12.726 -4.600 -7.384 482 2HB ALA 62 2HB ALA 62 -12.786 -5.101 -5.695 483 3HB ALA 62 3HB ALA 62 -12.139 -3.518 -6.122 484 H LEU 63 H LEU 63 -9.060 -3.386 -6.162 485 HA LEU 63 HA LEU 63 -8.937 -2.191 -8.712 486 1HB LEU 63 1HB LEU 63 -8.146 -1.343 -6.380 487 2HB LEU 63 2HB LEU 63 -6.653 -2.174 -6.759 488 HG LEU 63 HG LEU 63 -7.788 -0.082 -8.602 489 1HD1 LEU 63 1HD1 LEU 63 -7.572 0.924 -6.388 490 2HD1 LEU 63 2HD1 LEU 63 -5.907 0.350 -6.285 491 3HD1 LEU 63 3HD1 LEU 63 -6.352 1.551 -7.497 492 1HD2 LEU 63 1HD2 LEU 63 -4.992 -1.117 -8.136 493 2HD2 LEU 63 2HD2 LEU 63 -6.030 -1.511 -9.506 494 3HD2 LEU 63 3HD2 LEU 63 -5.451 0.140 -9.286 495 H ASN 64 H ASN 64 -7.342 -4.915 -7.280 496 HA ASN 64 HA ASN 64 -6.167 -6.632 -8.167 497 1HB ASN 64 1HB ASN 64 -7.123 -5.319 -10.663 498 2HB ASN 64 2HB ASN 64 -5.823 -6.499 -10.797 499 1HD2 ASN 64 2HD2 ASN 64 -9.146 -5.994 -9.846 500 2HD2 ASN 64 1HD2 ASN 64 -9.613 -7.663 -9.906 501 HA PRO 65 HA PRO 65 -2.226 -4.431 -8.567 502 1HB PRO 65 1HB PRO 65 -1.465 -4.541 -5.951 503 2HB PRO 65 2HB PRO 65 -2.376 -3.197 -6.641 504 1HG PRO 65 1HG PRO 65 -3.247 -5.182 -4.714 505 2HG PRO 65 2HG PRO 65 -4.089 -3.725 -5.262 506 1HD PRO 65 1HD PRO 65 -4.437 -6.512 -6.118 507 2HD PRO 65 2HD PRO 65 -5.517 -5.120 -6.344 508 H ALA 66 H ALA 66 -0.200 -5.480 -8.630 509 HA ALA 66 HA ALA 66 -0.285 -8.355 -8.194 510 1HB ALA 66 1HB ALA 66 1.896 -8.379 -9.324 511 2HB ALA 66 2HB ALA 66 0.674 -7.535 -10.277 512 3HB ALA 66 3HB ALA 66 1.880 -6.616 -9.376 513 H VAL 67 H VAL 67 1.579 -5.548 -7.129 514 HA VAL 67 HA VAL 67 2.186 -7.001 -4.658 515 HB VAL 67 HB VAL 67 4.229 -7.088 -5.952 516 1HG1 VAL 67 1HG1 VAL 67 4.037 -4.087 -6.159 517 2HG1 VAL 67 2HG1 VAL 67 5.397 -5.073 -6.698 518 3HG1 VAL 67 3HG1 VAL 67 3.823 -5.238 -7.477 519 1HG2 VAL 67 1HG2 VAL 67 4.468 -6.759 -3.558 520 2HG2 VAL 67 2HG2 VAL 67 5.766 -5.943 -4.429 521 3HG2 VAL 67 3HG2 VAL 67 4.421 -5.009 -3.777 522 H ILE 68 H ILE 68 1.919 -5.847 -2.832 523 HA ILE 68 HA ILE 68 1.167 -3.009 -3.133 524 HB ILE 68 HB ILE 68 0.059 -4.956 -1.099 525 1HG1 ILE 68 1HG1 ILE 68 -1.305 -3.768 -3.525 526 2HG1 ILE 68 2HG1 ILE 68 -0.740 -5.433 -3.400 527 1HG2 ILE 68 1HG2 ILE 68 -0.690 -2.104 -1.737 528 2HG2 ILE 68 2HG2 ILE 68 -1.513 -3.147 -0.578 529 3HG2 ILE 68 3HG2 ILE 68 0.158 -2.662 -0.295 530 1HD1 ILE 68 1HD1 ILE 68 -2.866 -4.150 -1.696 531 2HD1 ILE 68 2HD1 ILE 68 -3.130 -5.289 -3.017 532 3HD1 ILE 68 3HD1 ILE 68 -2.296 -5.813 -1.554 533 H LEU 69 H LEU 69 2.513 -1.696 -2.106 534 HA LEU 69 HA LEU 69 4.118 -2.744 0.104 535 1HB LEU 69 1HB LEU 69 4.292 -0.143 -1.418 536 2HB LEU 69 2HB LEU 69 5.341 -0.582 -0.084 537 HG LEU 69 HG LEU 69 5.158 -2.049 -2.717 538 1HD1 LEU 69 1HD1 LEU 69 7.401 -1.150 -3.102 539 2HD1 LEU 69 2HD1 LEU 69 6.202 0.135 -2.946 540 3HD1 LEU 69 3HD1 LEU 69 7.286 -0.229 -1.602 541 1HD2 LEU 69 1HD2 LEU 69 5.713 -3.531 -0.859 542 2HD2 LEU 69 2HD2 LEU 69 7.108 -3.281 -1.908 543 3HD2 LEU 69 3HD2 LEU 69 7.006 -2.439 -0.363 544 H LEU 70 H LEU 70 3.118 -2.660 1.980 545 HA LEU 70 HA LEU 70 1.195 -0.517 2.495 546 1HB LEU 70 1HB LEU 70 0.485 -2.844 2.855 547 2HB LEU 70 2HB LEU 70 1.776 -3.059 4.020 548 HG LEU 70 HG LEU 70 0.719 -1.362 5.477 549 1HD1 LEU 70 1HD1 LEU 70 -0.433 -0.079 3.745 550 2HD1 LEU 70 2HD1 LEU 70 -1.510 -1.443 3.449 551 3HD1 LEU 70 3HD1 LEU 70 -1.550 -0.611 5.003 552 1HD2 LEU 70 1HD2 LEU 70 0.255 -3.724 5.820 553 2HD2 LEU 70 2HD2 LEU 70 -1.172 -2.752 6.177 554 3HD2 LEU 70 3HD2 LEU 70 -1.071 -3.646 4.661 555 H GLY 71 H GLY 71 2.118 1.250 3.278 556 1HA GLY 71 1HA GLY 71 4.349 1.013 5.164 557 2HA GLY 71 2HA GLY 71 3.805 2.491 4.378 558 H THR 72 H THR 72 3.431 0.380 7.085 559 HA THR 72 HA THR 72 1.056 1.735 8.042 560 HB THR 72 HB THR 72 1.262 0.167 9.987 561 HG1 THR 72 HG1 THR 72 3.434 -0.290 10.035 562 1HG2 THR 72 1HG2 THR 72 1.312 -1.100 7.246 563 2HG2 THR 72 2HG2 THR 72 0.678 -1.847 8.713 564 3HG2 THR 72 3HG2 THR 72 -0.102 -0.413 8.045 565 H GLY 73 H GLY 73 2.025 3.836 8.205 566 1HA GLY 73 1HA GLY 73 3.019 5.573 9.327 567 2HA GLY 73 2HA GLY 73 2.602 4.658 10.766 568 H GLU 74 H GLU 74 4.262 4.451 12.075 569 HA GLU 74 HA GLU 74 6.922 3.982 10.908 570 1HB GLU 74 1HB GLU 74 7.687 4.922 13.224 571 2HB GLU 74 2HB GLU 74 7.213 6.026 11.943 572 1HG GLU 74 1HG GLU 74 6.306 6.730 14.073 573 2HG GLU 74 2HG GLU 74 5.015 6.284 12.961 574 H ARG 75 H ARG 75 4.560 2.296 12.040 575 HA ARG 75 HA ARG 75 6.243 0.531 13.692 576 1HB ARG 75 1HB ARG 75 4.683 1.584 15.195 577 2HB ARG 75 2HB ARG 75 3.342 1.276 14.103 578 1HG ARG 75 1HG ARG 75 3.565 -1.122 14.492 579 2HG ARG 75 2HG ARG 75 4.922 -0.818 15.579 580 1HD ARG 75 1HD ARG 75 3.496 0.391 17.098 581 2HD ARG 75 2HD ARG 75 2.139 0.271 15.979 582 HE ARG 75 HE ARG 75 1.932 -2.018 16.501 583 1HH1 ARG 75 1HH1 ARG 75 4.445 -0.425 18.346 584 2HH1 ARG 75 2HH1 ARG 75 4.525 -1.669 19.553 585 1HH2 ARG 75 1HH2 ARG 75 2.045 -3.668 18.078 586 2HH2 ARG 75 2HH2 ARG 75 3.160 -3.528 19.402 587 H GLN 76 H GLN 76 6.523 -1.359 12.690 588 HA GLN 76 HA GLN 76 4.988 -2.114 10.414 589 1HB GLN 76 1HB GLN 76 7.414 -2.714 10.888 590 2HB GLN 76 2HB GLN 76 6.806 -3.911 12.022 591 1HG GLN 76 1HG GLN 76 5.621 -5.037 10.221 592 2HG GLN 76 2HG GLN 76 6.186 -3.820 9.078 593 1HE2 GLN 76 2HE2 GLN 76 6.614 -6.681 9.032 594 2HE2 GLN 76 1HE2 GLN 76 8.323 -6.921 9.063 595 H GLN 77 H GLN 77 2.886 -2.494 10.780 596 HA GLN 77 HA GLN 77 2.162 -4.269 13.019 597 1HB GLN 77 1HB GLN 77 1.469 -1.898 13.282 598 2HB GLN 77 2HB GLN 77 0.541 -2.027 11.799 599 1HG GLN 77 1HG GLN 77 -0.846 -2.178 13.812 600 2HG GLN 77 2HG GLN 77 -0.945 -3.623 12.809 601 1HE2 GLN 77 2HE2 GLN 77 -0.301 -5.547 13.614 602 2HE2 GLN 77 1HE2 GLN 77 0.237 -5.787 15.246 603 H PHE 78 H PHE 78 1.292 -6.128 12.454 604 HA PHE 78 HA PHE 78 0.711 -6.841 9.790 605 1HB PHE 78 1HB PHE 78 -0.083 -8.201 12.374 606 2HB PHE 78 2HB PHE 78 -0.203 -8.926 10.774 607 HD1 PHE 78 HD1 PHE 78 2.002 -8.053 13.519 608 HD2 PHE 78 HD2 PHE 78 1.829 -9.504 9.522 609 HE1 PHE 78 HE1 PHE 78 4.316 -8.866 13.718 610 HE2 PHE 78 HE2 PHE 78 4.142 -10.321 9.715 611 HZ PHE 78 HZ PHE 78 5.387 -10.002 11.815 612 HA PRO 79 HA PRO 79 -3.450 -5.299 9.448 613 1HB PRO 79 1HB PRO 79 -3.820 -7.176 7.240 614 2HB PRO 79 2HB PRO 79 -3.746 -5.412 7.202 615 1HG PRO 79 1HG PRO 79 -1.793 -6.978 6.173 616 2HG PRO 79 2HG PRO 79 -1.472 -5.383 6.880 617 1HD PRO 79 1HD PRO 79 -1.091 -8.101 8.079 618 2HD PRO 79 2HD PRO 79 -0.041 -6.671 8.168 619 H SER 80 H SER 80 -5.642 -6.585 8.623 620 HA SER 80 HA SER 80 -6.271 -8.276 10.830 621 1HB SER 80 1HB SER 80 -7.940 -6.750 9.926 622 2HB SER 80 2HB SER 80 -7.866 -7.559 8.361 623 HG SER 80 HG SER 80 -9.646 -8.247 9.645 624 H THR 81 H THR 81 -6.678 -10.448 10.872 625 HA THR 81 HA THR 81 -5.233 -12.078 9.072 626 HB THR 81 HB THR 81 -6.566 -13.916 10.375 627 HG1 THR 81 HG1 THR 81 -7.090 -12.794 12.528 628 1HG2 THR 81 1HG2 THR 81 -4.198 -13.397 10.734 629 2HG2 THR 81 2HG2 THR 81 -4.649 -12.051 11.780 630 3HG2 THR 81 3HG2 THR 81 -5.018 -13.706 12.264 631 H ASP 82 H ASP 82 -8.501 -10.959 9.159 632 HA ASP 82 HA ASP 82 -9.635 -12.992 7.506 633 1HB ASP 82 1HB ASP 82 -10.987 -11.544 9.003 634 2HB ASP 82 2HB ASP 82 -10.604 -10.162 7.984 635 H VAL 83 H VAL 83 -7.908 -10.028 6.949 636 HA VAL 83 HA VAL 83 -8.568 -9.762 4.177 637 HB VAL 83 HB VAL 83 -6.190 -8.620 5.661 638 1HG1 VAL 83 1HG1 VAL 83 -6.169 -6.933 3.886 639 2HG1 VAL 83 2HG1 VAL 83 -5.916 -8.558 3.248 640 3HG1 VAL 83 3HG1 VAL 83 -7.488 -7.777 3.072 641 1HG2 VAL 83 1HG2 VAL 83 -8.319 -7.981 6.702 642 2HG2 VAL 83 2HG2 VAL 83 -7.502 -6.605 5.957 643 3HG2 VAL 83 3HG2 VAL 83 -8.877 -7.359 5.149 644 H LEU 84 H LEU 84 -6.046 -11.312 6.044 645 HA LEU 84 HA LEU 84 -4.133 -11.740 4.071 646 1HB LEU 84 1HB LEU 84 -4.804 -13.495 6.433 647 2HB LEU 84 2HB LEU 84 -3.320 -13.571 5.502 648 HG LEU 84 HG LEU 84 -4.223 -11.217 7.167 649 1HD1 LEU 84 1HD1 LEU 84 -2.356 -11.823 8.623 650 2HD1 LEU 84 2HD1 LEU 84 -3.548 -13.120 8.529 651 3HD1 LEU 84 3HD1 LEU 84 -2.039 -13.243 7.626 652 1HD2 LEU 84 1HD2 LEU 84 -1.664 -11.679 5.637 653 2HD2 LEU 84 2HD2 LEU 84 -2.930 -10.523 5.221 654 3HD2 LEU 84 3HD2 LEU 84 -1.999 -10.315 6.704 655 H ALA 85 H ALA 85 -7.086 -13.485 4.764 656 HA ALA 85 HA ALA 85 -6.595 -15.839 3.339 657 1HB ALA 85 1HB ALA 85 -8.517 -15.557 4.823 658 2HB ALA 85 2HB ALA 85 -9.223 -14.403 3.690 659 3HB ALA 85 3HB ALA 85 -9.017 -16.089 3.217 660 H ALA 86 H ALA 86 -8.125 -12.813 2.245 661 HA ALA 86 HA ALA 86 -8.502 -13.651 -0.428 662 1HB ALA 86 1HB ALA 86 -9.750 -11.793 0.562 663 2HB ALA 86 2HB ALA 86 -8.266 -10.847 0.663 664 3HB ALA 86 3HB ALA 86 -8.919 -11.294 -0.912 665 H CYS 87 H CYS 87 -5.900 -11.943 1.212 666 HA CYS 87 HA CYS 87 -4.382 -11.215 -1.025 667 1HB CYS 87 1HB CYS 87 -4.023 -10.376 1.287 668 2HB CYS 87 2HB CYS 87 -3.381 -11.951 1.736 669 HG CYS 87 HG CYS 87 -1.460 -11.426 -0.618 670 H LEU 88 H LEU 88 -4.285 -14.152 0.977 671 HA LEU 88 HA LEU 88 -2.141 -15.342 -0.485 672 1HB LEU 88 1HB LEU 88 -4.153 -16.555 1.407 673 2HB LEU 88 2HB LEU 88 -2.757 -17.400 0.768 674 HG LEU 88 HG LEU 88 -2.670 -14.964 2.550 675 1HD1 LEU 88 1HD1 LEU 88 -1.809 -16.497 4.235 676 2HD1 LEU 88 2HD1 LEU 88 -3.423 -16.975 3.710 677 3HD1 LEU 88 3HD1 LEU 88 -2.009 -17.849 3.120 678 1HD2 LEU 88 1HD2 LEU 88 -0.785 -15.029 1.004 679 2HD2 LEU 88 2HD2 LEU 88 -0.262 -15.394 2.649 680 3HD2 LEU 88 3HD2 LEU 88 -0.445 -16.695 1.472 681 H THR 89 H THR 89 -5.661 -15.693 -0.555 682 HA THR 89 HA THR 89 -5.783 -17.918 -2.258 683 HB THR 89 HB THR 89 -7.818 -15.692 -1.988 684 HG1 THR 89 HG1 THR 89 -7.503 -16.580 0.026 685 1HG2 THR 89 1HG2 THR 89 -8.230 -17.122 -3.937 686 2HG2 THR 89 2HG2 THR 89 -8.138 -18.554 -2.911 687 3HG2 THR 89 3HG2 THR 89 -9.444 -17.390 -2.686 688 H ARG 90 H ARG 90 -5.635 -14.452 -2.975 689 HA ARG 90 HA ARG 90 -5.899 -14.946 -5.811 690 1HB ARG 90 1HB ARG 90 -5.311 -12.405 -4.290 691 2HB ARG 90 2HB ARG 90 -5.545 -12.496 -6.031 692 1HG ARG 90 1HG ARG 90 -7.803 -13.682 -5.255 693 2HG ARG 90 2HG ARG 90 -7.518 -12.666 -3.839 694 1HD ARG 90 1HD ARG 90 -8.902 -11.510 -5.483 695 2HD ARG 90 2HD ARG 90 -7.345 -10.701 -5.283 696 HE ARG 90 HE ARG 90 -7.299 -12.612 -7.409 697 1HH1 ARG 90 1HH1 ARG 90 -8.312 -9.350 -6.606 698 2HH1 ARG 90 2HH1 ARG 90 -8.185 -8.783 -8.239 699 1HH2 ARG 90 1HH2 ARG 90 -7.133 -11.867 -9.540 700 2HH2 ARG 90 2HH2 ARG 90 -7.506 -10.211 -9.912 701 H GLY 91 H GLY 91 -3.328 -14.217 -3.529 702 1HA GLY 91 1HA GLY 91 -1.081 -14.885 -3.877 703 2HA GLY 91 2HA GLY 91 -1.390 -14.930 -5.608 704 H ILE 92 H ILE 92 -2.038 -12.368 -3.262 705 HA ILE 92 HA ILE 92 -0.583 -10.499 -4.981 706 HB ILE 92 HB ILE 92 -2.364 -9.920 -2.601 707 1HG1 ILE 92 1HG1 ILE 92 -2.963 -9.722 -5.563 708 2HG1 ILE 92 2HG1 ILE 92 -3.581 -10.968 -4.485 709 1HG2 ILE 92 1HG2 ILE 92 -2.366 -7.619 -3.436 710 2HG2 ILE 92 2HG2 ILE 92 -0.736 -8.154 -3.027 711 3HG2 ILE 92 3HG2 ILE 92 -1.243 -8.081 -4.715 712 1HD1 ILE 92 1HD1 ILE 92 -4.775 -9.257 -3.208 713 2HD1 ILE 92 2HD1 ILE 92 -4.167 -8.021 -4.309 714 3HD1 ILE 92 3HD1 ILE 92 -5.257 -9.274 -4.904 715 H GLY 93 H GLY 93 1.198 -9.362 -4.288 716 1HA GLY 93 1HA GLY 93 2.540 -10.452 -1.941 717 2HA GLY 93 2HA GLY 93 3.258 -9.415 -3.164 718 H LEU 94 H LEU 94 1.445 -9.535 -0.206 719 HA LEU 94 HA LEU 94 1.329 -6.631 -0.022 720 1HB LEU 94 1HB LEU 94 -0.620 -7.927 0.693 721 2HB LEU 94 2HB LEU 94 0.363 -8.788 1.861 722 HG LEU 94 HG LEU 94 0.741 -6.655 3.071 723 1HD1 LEU 94 1HD1 LEU 94 -1.275 -5.550 1.121 724 2HD1 LEU 94 2HD1 LEU 94 -0.641 -4.719 2.541 725 3HD1 LEU 94 3HD1 LEU 94 0.433 -5.120 1.201 726 1HD2 LEU 94 1HD2 LEU 94 -1.024 -8.178 3.769 727 2HD2 LEU 94 2HD2 LEU 94 -1.511 -6.502 4.018 728 3HD2 LEU 94 3HD2 LEU 94 -2.148 -7.412 2.647 729 H GLU 95 H GLU 95 3.281 -5.789 0.409 730 HA GLU 95 HA GLU 95 4.992 -7.074 2.406 731 1HB GLU 95 1HB GLU 95 5.536 -4.741 0.555 732 2HB GLU 95 2HB GLU 95 6.707 -5.461 1.651 733 1HG GLU 95 1HG GLU 95 5.390 -6.829 -0.683 734 2HG GLU 95 2HG GLU 95 7.047 -6.227 -0.624 735 H ALA 96 H ALA 96 4.488 -6.524 4.424 736 HA ALA 96 HA ALA 96 3.437 -3.903 5.056 737 1HB ALA 96 1HB ALA 96 4.102 -6.207 6.888 738 2HB ALA 96 2HB ALA 96 3.199 -4.756 7.322 739 3HB ALA 96 3HB ALA 96 2.527 -5.900 6.158 740 H MET 97 H MET 97 4.783 -2.257 5.231 741 HA MET 97 HA MET 97 7.295 -2.615 6.719 742 1HB MET 97 1HB MET 97 7.000 -1.087 4.120 743 2HB MET 97 2HB MET 97 8.439 -1.105 5.125 744 1HG MET 97 1HG MET 97 8.686 -3.504 4.722 745 2HG MET 97 2HG MET 97 7.248 -3.473 3.702 746 1HE MET 97 1HE MET 97 10.087 -4.619 2.734 747 2HE MET 97 2HE MET 97 10.137 -3.959 1.099 748 3HE MET 97 3HE MET 97 8.628 -4.606 1.743 749 H THR 98 H THR 98 8.244 -0.180 6.921 750 HA THR 98 HA THR 98 6.112 1.410 8.094 751 HB THR 98 HB THR 98 8.010 2.927 8.777 752 HG1 THR 98 HG1 THR 98 10.082 1.436 8.606 753 1HG2 THR 98 1HG2 THR 98 8.876 1.416 10.503 754 2HG2 THR 98 2HG2 THR 98 7.134 1.226 10.302 755 3HG2 THR 98 3HG2 THR 98 8.237 0.032 9.615 756 H ASN 99 H ASN 99 6.139 3.812 7.604 757 HA ASN 99 HA ASN 99 5.532 4.262 4.938 758 1HB ASN 99 1HB ASN 99 4.694 5.736 6.634 759 2HB ASN 99 2HB ASN 99 6.320 6.203 7.114 760 1HD2 ASN 99 2HD2 ASN 99 3.883 6.489 4.620 761 2HD2 ASN 99 1HD2 ASN 99 4.526 7.922 3.903 762 H ALA 100 H ALA 100 8.552 5.015 6.643 763 HA ALA 100 HA ALA 100 9.850 6.187 4.422 764 1HB ALA 100 1HB ALA 100 10.563 6.544 6.745 765 2HB ALA 100 2HB ALA 100 11.095 4.864 6.827 766 3HB ALA 100 3HB ALA 100 11.887 5.987 5.722 767 H ALA 101 H ALA 101 9.764 2.872 5.659 768 HA ALA 101 HA ALA 101 11.820 1.901 3.947 769 1HB ALA 101 1HB ALA 101 11.236 0.806 6.062 770 2HB ALA 101 2HB ALA 101 9.673 0.347 5.385 771 3HB ALA 101 3HB ALA 101 11.159 -0.310 4.698 772 H ALA 102 H ALA 102 8.282 1.879 3.772 773 HA ALA 102 HA ALA 102 8.081 0.267 1.467 774 1HB ALA 102 1HB ALA 102 6.161 2.381 2.438 775 2HB ALA 102 2HB ALA 102 5.799 1.083 1.302 776 3HB ALA 102 3HB ALA 102 6.195 0.703 2.978 777 H ALA 103 H ALA 103 8.410 3.753 1.915 778 HA ALA 103 HA ALA 103 8.016 4.529 -0.761 779 1HB ALA 103 1HB ALA 103 7.991 6.108 1.109 780 2HB ALA 103 2HB ALA 103 9.720 5.853 1.346 781 3HB ALA 103 3HB ALA 103 9.136 6.604 -0.139 782 H ARG 104 H ARG 104 10.908 3.535 1.000 783 HA ARG 104 HA ARG 104 12.763 4.091 -1.059 784 1HB ARG 104 1HB ARG 104 12.864 2.276 1.344 785 2HB ARG 104 2HB ARG 104 14.225 2.460 0.243 786 1HG ARG 104 1HG ARG 104 14.489 4.740 0.794 787 2HG ARG 104 2HG ARG 104 12.931 4.796 1.617 788 1HD ARG 104 1HD ARG 104 14.836 4.743 3.179 789 2HD ARG 104 2HD ARG 104 13.756 3.365 3.372 790 HE ARG 104 HE ARG 104 15.682 2.447 1.676 791 1HH1 ARG 104 1HH1 ARG 104 15.777 4.017 4.806 792 2HH1 ARG 104 2HH1 ARG 104 17.180 3.150 5.346 793 1HH2 ARG 104 1HH2 ARG 104 17.524 1.310 2.369 794 2HH2 ARG 104 2HH2 ARG 104 18.179 1.603 3.955 795 H THR 105 H THR 105 10.947 1.183 -0.198 796 HA THR 105 HA THR 105 12.174 -0.467 -2.176 797 HB THR 105 HB THR 105 9.507 -0.885 -0.811 798 HG1 THR 105 HG1 THR 105 10.663 -1.132 0.941 799 1HG2 THR 105 1HG2 THR 105 11.467 -2.842 -2.023 800 2HG2 THR 105 2HG2 THR 105 9.973 -3.265 -1.189 801 3HG2 THR 105 3HG2 THR 105 9.911 -2.379 -2.712 802 H TYR 106 H TYR 106 9.474 1.729 -2.133 803 HA TYR 106 HA TYR 106 8.051 0.782 -4.363 804 1HB TYR 106 1HB TYR 106 7.254 2.486 -2.680 805 2HB TYR 106 2HB TYR 106 8.268 3.670 -3.497 806 HD1 TYR 106 HD1 TYR 106 7.334 4.948 -5.206 807 HD2 TYR 106 HD2 TYR 106 5.554 1.215 -4.210 808 HE1 TYR 106 HE1 TYR 106 5.497 5.409 -6.776 809 HE2 TYR 106 HE2 TYR 106 3.716 1.663 -5.776 810 HH TYR 106 HH TYR 106 2.622 3.688 -6.789 811 H ASN 107 H ASN 107 10.827 2.886 -4.071 812 HA ASN 107 HA ASN 107 11.035 3.952 -6.613 813 1HB ASN 107 1HB ASN 107 12.556 4.595 -4.846 814 2HB ASN 107 2HB ASN 107 13.202 2.962 -4.745 815 1HD2 ASN 107 2HD2 ASN 107 15.284 3.497 -5.166 816 2HD2 ASN 107 1HD2 ASN 107 15.842 4.076 -6.699 817 H VAL 108 H VAL 108 12.084 0.775 -5.457 818 HA VAL 108 HA VAL 108 13.301 -0.030 -7.897 819 HB VAL 108 HB VAL 108 12.255 -1.720 -5.617 820 1HG1 VAL 108 1HG1 VAL 108 14.149 -2.439 -7.855 821 2HG1 VAL 108 2HG1 VAL 108 13.742 -3.467 -6.481 822 3HG1 VAL 108 3HG1 VAL 108 12.500 -3.031 -7.655 823 1HG2 VAL 108 1HG2 VAL 108 15.034 -0.694 -6.193 824 2HG2 VAL 108 2HG2 VAL 108 13.967 -0.137 -4.905 825 3HG2 VAL 108 3HG2 VAL 108 14.591 -1.786 -4.880 826 H LEU 109 H LEU 109 10.159 -0.750 -6.404 827 HA LEU 109 HA LEU 109 9.332 -2.493 -8.484 828 1HB LEU 109 1HB LEU 109 7.727 -1.080 -6.360 829 2HB LEU 109 2HB LEU 109 7.100 -2.333 -7.416 830 HG LEU 109 HG LEU 109 9.312 -2.680 -5.389 831 1HD1 LEU 109 1HD1 LEU 109 6.480 -3.707 -5.429 832 2HD1 LEU 109 2HD1 LEU 109 7.708 -4.097 -4.223 833 3HD1 LEU 109 3HD1 LEU 109 7.113 -2.444 -4.373 834 1HD2 LEU 109 1HD2 LEU 109 8.012 -4.682 -7.233 835 2HD2 LEU 109 2HD2 LEU 109 9.670 -4.090 -7.337 836 3HD2 LEU 109 3HD2 LEU 109 9.165 -5.060 -5.953 837 H ALA 110 H ALA 110 9.133 0.952 -8.062 838 HA ALA 110 HA ALA 110 7.128 1.477 -9.989 839 1HB ALA 110 1HB ALA 110 7.876 3.153 -8.362 840 2HB ALA 110 2HB ALA 110 9.449 3.220 -9.158 841 3HB ALA 110 3HB ALA 110 8.004 3.753 -10.016 842 H SER 111 H SER 111 10.661 1.217 -10.204 843 HA SER 111 HA SER 111 10.750 1.690 -13.011 844 1HB SER 111 1HB SER 111 12.771 0.391 -11.166 845 2HB SER 111 2HB SER 111 13.086 0.872 -12.835 846 HG SER 111 HG SER 111 13.394 2.368 -10.746 847 H GLU 112 H GLU 112 10.394 -1.151 -10.988 848 HA GLU 112 HA GLU 112 10.689 -3.115 -12.981 849 1HB GLU 112 1HB GLU 112 9.342 -2.975 -10.318 850 2HB GLU 112 2HB GLU 112 8.995 -4.342 -11.363 851 1HG GLU 112 1HG GLU 112 11.773 -3.519 -10.565 852 2HG GLU 112 2HG GLU 112 10.810 -4.712 -9.692 853 H GLY 113 H GLY 113 7.949 -1.151 -11.960 854 1HA GLY 113 1HA GLY 113 5.955 -0.684 -13.004 855 2HA GLY 113 2HA GLY 113 6.635 -1.390 -14.463 856 H ARG 114 H ARG 114 6.490 -3.236 -11.536 857 HA ARG 114 HA ARG 114 4.923 -5.228 -12.947 858 1HB ARG 114 1HB ARG 114 7.064 -5.688 -11.630 859 2HB ARG 114 2HB ARG 114 6.098 -5.470 -10.177 860 1HG ARG 114 1HG ARG 114 4.701 -7.341 -10.768 861 2HG ARG 114 2HG ARG 114 5.524 -7.510 -12.320 862 1HD ARG 114 1HD ARG 114 6.713 -7.923 -9.577 863 2HD ARG 114 2HD ARG 114 6.372 -9.166 -10.781 864 HE ARG 114 HE ARG 114 8.486 -7.124 -10.972 865 1HH1 ARG 114 1HH1 ARG 114 7.113 -10.197 -11.956 866 2HH1 ARG 114 2HH1 ARG 114 8.475 -10.616 -12.951 867 1HH2 ARG 114 1HH2 ARG 114 10.284 -7.691 -12.265 868 2HH2 ARG 114 2HH2 ARG 114 10.253 -9.201 -13.146 869 H ARG 115 H ARG 115 3.363 -3.088 -12.433 870 HA ARG 115 HA ARG 115 1.423 -2.361 -11.497 871 1HB ARG 115 1HB ARG 115 0.803 -4.539 -12.582 872 2HB ARG 115 2HB ARG 115 0.943 -5.299 -11.004 873 1HG ARG 115 1HG ARG 115 -0.883 -4.028 -10.145 874 2HG ARG 115 2HG ARG 115 -0.930 -3.019 -11.594 875 1HD ARG 115 1HD ARG 115 -1.515 -5.979 -11.457 876 2HD ARG 115 2HD ARG 115 -2.706 -4.689 -11.644 877 HE ARG 115 HE ARG 115 -1.380 -4.172 -13.776 878 1HH1 ARG 115 1HH1 ARG 115 -1.915 -7.387 -12.464 879 2HH1 ARG 115 2HH1 ARG 115 -1.705 -8.171 -14.005 880 1HH2 ARG 115 1HH2 ARG 115 -1.103 -5.224 -15.791 881 2HH2 ARG 115 2HH2 ARG 115 -1.259 -6.959 -15.872 882 H VAL 116 H VAL 116 2.867 -1.516 -9.748 883 HA VAL 116 HA VAL 116 2.477 -2.864 -7.180 884 HB VAL 116 HB VAL 116 4.791 -2.337 -7.704 885 1HG1 VAL 116 1HG1 VAL 116 3.906 0.541 -7.868 886 2HG1 VAL 116 2HG1 VAL 116 5.574 -0.029 -7.922 887 3HG1 VAL 116 3HG1 VAL 116 4.452 -0.462 -9.212 888 1HG2 VAL 116 1HG2 VAL 116 5.385 -1.053 -5.701 889 2HG2 VAL 116 2HG2 VAL 116 3.703 -0.550 -5.531 890 3HG2 VAL 116 3HG2 VAL 116 4.137 -2.252 -5.367 891 H ALA 117 H ALA 117 1.355 -1.972 -5.550 892 HA ALA 117 HA ALA 117 0.248 0.729 -5.962 893 1HB ALA 117 1HB ALA 117 -1.490 -0.991 -6.125 894 2HB ALA 117 2HB ALA 117 -1.044 -1.594 -4.529 895 3HB ALA 117 3HB ALA 117 -1.725 0.025 -4.701 896 H LEU 118 H LEU 118 0.947 2.166 -4.522 897 HA LEU 118 HA LEU 118 2.296 1.211 -2.119 898 1HB LEU 118 1HB LEU 118 3.332 2.924 -3.638 899 2HB LEU 118 2HB LEU 118 2.066 4.035 -3.154 900 HG LEU 118 HG LEU 118 2.858 3.869 -0.810 901 1HD1 LEU 118 1HD1 LEU 118 5.041 2.852 -0.373 902 2HD1 LEU 118 2HD1 LEU 118 3.868 1.658 -0.931 903 3HD1 LEU 118 3HD1 LEU 118 5.099 2.267 -2.037 904 1HD2 LEU 118 1HD2 LEU 118 3.610 5.682 -2.272 905 2HD2 LEU 118 2HD2 LEU 118 4.867 5.212 -1.127 906 3HD2 LEU 118 3HD2 LEU 118 4.964 4.688 -2.808 907 H ALA 119 H ALA 119 0.942 0.806 -0.496 908 HA ALA 119 HA ALA 119 -1.326 2.606 -0.038 909 1HB ALA 119 1HB ALA 119 -1.835 0.215 -0.149 910 2HB ALA 119 2HB ALA 119 -0.721 -0.088 1.182 911 3HB ALA 119 3HB ALA 119 -2.177 0.867 1.453 912 H MET 120 H MET 120 -0.538 4.335 1.019 913 HA MET 120 HA MET 120 1.240 3.888 3.308 914 1HB MET 120 1HB MET 120 0.589 6.343 1.691 915 2HB MET 120 2HB MET 120 1.452 6.426 3.220 916 1HG MET 120 1HG MET 120 2.348 4.896 0.792 917 2HG MET 120 2HG MET 120 2.954 6.472 1.295 918 1HE MET 120 1HE MET 120 6.040 4.317 2.122 919 2HE MET 120 2HE MET 120 5.470 5.858 1.481 920 3HE MET 120 3HE MET 120 5.003 4.350 0.694 921 H ILE 121 H ILE 121 0.226 3.603 5.148 922 HA ILE 121 HA ILE 121 -2.141 5.257 5.727 923 HB ILE 121 HB ILE 121 -1.323 2.621 6.974 924 1HG1 ILE 121 1HG1 ILE 121 -3.631 3.317 5.143 925 2HG1 ILE 121 2HG1 ILE 121 -2.199 2.404 4.682 926 1HG2 ILE 121 1HG2 ILE 121 -3.469 2.729 8.155 927 2HG2 ILE 121 2HG2 ILE 121 -2.421 4.080 8.594 928 3HG2 ILE 121 3HG2 ILE 121 -3.760 4.329 7.473 929 1HD1 ILE 121 1HD1 ILE 121 -2.831 0.645 6.266 930 2HD1 ILE 121 2HD1 ILE 121 -4.278 1.561 6.688 931 3HD1 ILE 121 3HD1 ILE 121 -4.080 0.931 5.053 932 H VAL 122 H VAL 122 -1.168 7.061 6.556 933 HA VAL 122 HA VAL 122 0.580 6.629 8.888 934 HB VAL 122 HB VAL 122 1.575 8.857 8.429 935 1HG1 VAL 122 1HG1 VAL 122 2.956 8.142 6.532 936 2HG1 VAL 122 2HG1 VAL 122 2.712 6.842 7.699 937 3HG1 VAL 122 3HG1 VAL 122 1.801 6.854 6.189 938 1HG2 VAL 122 1HG2 VAL 122 0.024 8.675 5.849 939 2HG2 VAL 122 2HG2 VAL 122 -0.233 9.848 7.140 940 3HG2 VAL 122 3HG2 VAL 122 1.269 9.870 6.216 941 H GLY 123 H GLY 123 0.252 7.858 10.708 942 1HA GLY 123 1HA GLY 123 -0.947 9.835 11.667 943 2HA GLY 123 2HA GLY 123 -2.351 9.240 10.788 944 H GLY 124 H GLY 124 -3.708 8.717 12.427 945 1HA GLY 124 1HA GLY 124 -4.609 7.419 14.094 946 2HA GLY 124 2HA GLY 124 -3.311 6.276 13.792 947 H LEU 125 H LEU 125 -2.249 9.413 14.552 948 HA LEU 125 HA LEU 125 -0.887 8.562 16.866 949 1HB LEU 125 1HB LEU 125 -0.179 10.845 17.137 950 2HB LEU 125 2HB LEU 125 -0.112 10.420 15.440 951 HG LEU 125 HG LEU 125 -2.426 11.958 16.617 952 1HD1 LEU 125 1HD1 LEU 125 -1.338 13.991 15.815 953 2HD1 LEU 125 2HD1 LEU 125 -0.372 13.199 17.060 954 3HD1 LEU 125 3HD1 LEU 125 0.088 13.056 15.363 955 1HD2 LEU 125 1HD2 LEU 125 -2.750 12.674 14.302 956 2HD2 LEU 125 2HD2 LEU 125 -1.369 11.699 13.800 957 3HD2 LEU 125 3HD2 LEU 125 -2.816 10.916 14.438 958 H GLU 126 H GLU 126 -4.035 9.847 16.370 959 HA GLU 126 HA GLU 126 -4.408 10.327 19.231 960 1HB GLU 126 1HB GLU 126 -5.956 11.125 16.784 961 2HB GLU 126 2HB GLU 126 -6.679 11.207 18.385 962 1HG GLU 126 1HG GLU 126 -4.103 12.572 17.660 963 2HG GLU 126 2HG GLU 126 -5.686 13.341 17.538 964 H HIS 127 H HIS 127 -4.634 7.774 17.191 965 HA HIS 127 HA HIS 127 -7.150 6.686 18.067 966 1HB HIS 127 1HB HIS 127 -5.992 5.999 15.934 967 2HB HIS 127 2HB HIS 127 -4.785 5.182 16.920 968 HD1 HIS 127 HD1 HIS 127 -8.282 4.877 15.669 969 HD2 HIS 127 HD2 HIS 127 -5.671 2.805 18.162 970 HE1 HIS 127 HE1 HIS 127 -9.336 2.623 16.036 971 HE2 HIS 127 HE2 HIS 127 -7.795 1.422 17.633 972 H HIS 128 H HIS 128 -3.754 6.308 18.913 973 HA HIS 128 HA HIS 128 -4.435 4.940 21.384 974 1HB HIS 128 1HB HIS 128 -2.348 4.275 20.339 975 2HB HIS 128 2HB HIS 128 -1.801 5.944 20.261 976 HD1 HIS 128 HD1 HIS 128 -2.114 3.040 22.597 977 HD2 HIS 128 HD2 HIS 128 -0.764 6.976 22.662 978 HE1 HIS 128 HE1 HIS 128 -0.837 3.288 24.754 979 HE2 HIS 128 HE2 HIS 128 -0.156 5.720 24.839 980 H HIS 129 H HIS 129 -5.583 6.294 22.664 981 HA HIS 129 HA HIS 129 -5.212 9.097 22.752 982 1HB HIS 129 1HB HIS 129 -6.505 7.289 24.815 983 2HB HIS 129 2HB HIS 129 -6.664 9.041 24.749 984 HD1 HIS 129 HD1 HIS 129 -9.224 7.465 24.630 985 HD2 HIS 129 HD2 HIS 129 -7.030 8.428 21.230 986 HE1 HIS 129 HE1 HIS 129 -10.844 7.331 22.710 987 HE2 HIS 129 HE2 HIS 129 -9.436 7.683 20.649 988 H HIS 130 H HIS 130 -3.668 10.236 23.665 989 HA HIS 130 HA HIS 130 -1.444 8.931 24.814 990 1HB HIS 130 1HB HIS 130 -2.066 11.891 24.893 991 2HB HIS 130 2HB HIS 130 -0.482 11.144 25.084 992 HD1 HIS 130 HD1 HIS 130 -1.542 13.210 22.792 993 HD2 HIS 130 HD2 HIS 130 -0.766 9.144 22.411 994 HE1 HIS 130 HE1 HIS 130 -1.130 12.822 20.343 995 HE2 HIS 130 HE2 HIS 130 -0.995 10.319 20.121 996 H HIS 131 H HIS 131 -3.734 11.230 26.294 997 HA HIS 131 HA HIS 131 -3.738 9.489 28.630 998 1HB HIS 131 1HB HIS 131 -3.455 11.235 30.246 999 2HB HIS 131 2HB HIS 131 -2.112 11.337 29.122 1000 HD1 HIS 131 HD1 HIS 131 -1.941 13.456 27.661 1001 HD2 HIS 131 HD2 HIS 131 -5.194 13.429 30.258 1002 HE1 HIS 131 HE1 HIS 131 -2.823 15.816 27.677 1003 HE2 HIS 131 HE2 HIS 131 -4.706 15.804 29.357 1004 H HIS 132 H HIS 132 -5.161 12.124 26.811 1005 HA HIS 132 HA HIS 132 -7.799 11.070 27.279 1006 1HB HIS 132 1HB HIS 132 -6.916 13.641 28.521 1007 2HB HIS 132 2HB HIS 132 -8.537 13.562 27.843 1008 HD1 HIS 132 HD1 HIS 132 -10.258 12.044 29.038 1009 HD2 HIS 132 HD2 HIS 132 -6.538 12.215 30.895 1010 HE1 HIS 132 HE1 HIS 132 -10.582 11.019 31.315 1011 HE2 HIS 132 HE2 HIS 132 -8.336 11.184 32.446 Start of MODEL 15 1 1H MET 1 1HT MET 1 -15.534 21.629 -0.796 2 2H MET 1 2HT MET 1 -16.032 20.007 -0.850 3 3H MET 1 3HT MET 1 -16.415 21.059 -2.128 4 HA MET 1 HA MET 1 -13.693 20.198 -1.343 5 1HB MET 1 1HB MET 1 -15.089 18.448 -2.453 6 2HB MET 1 2HB MET 1 -15.311 19.537 -3.815 7 1HG MET 1 1HG MET 1 -12.930 19.498 -4.269 8 2HG MET 1 2HG MET 1 -12.662 18.469 -2.865 9 1HE MET 1 1HE MET 1 -11.354 16.688 -4.264 10 2HE MET 1 2HE MET 1 -11.521 17.709 -5.692 11 3HE MET 1 3HE MET 1 -11.935 15.998 -5.780 12 HA PRO 2 HA PRO 2 -12.536 24.023 -3.270 13 1HB PRO 2 1HB PRO 2 -9.870 22.836 -3.596 14 2HB PRO 2 2HB PRO 2 -10.368 24.224 -2.625 15 1HG PRO 2 1HG PRO 2 -9.642 21.882 -1.507 16 2HG PRO 2 2HG PRO 2 -10.885 22.926 -0.793 17 1HD PRO 2 1HD PRO 2 -11.206 20.436 -2.428 18 2HD PRO 2 2HD PRO 2 -12.101 20.959 -0.986 19 H LEU 3 H LEU 3 -13.907 23.115 -5.110 20 HA LEU 3 HA LEU 3 -14.234 23.022 -7.346 21 1HB LEU 3 1HB LEU 3 -11.304 23.733 -7.528 22 2HB LEU 3 2HB LEU 3 -12.443 23.769 -8.858 23 HG LEU 3 HG LEU 3 -12.595 25.517 -6.399 24 1HD1 LEU 3 1HD1 LEU 3 -11.767 26.173 -9.221 25 2HD1 LEU 3 2HD1 LEU 3 -11.931 27.321 -7.893 26 3HD1 LEU 3 3HD1 LEU 3 -10.692 26.069 -7.827 27 1HD2 LEU 3 1HD2 LEU 3 -14.329 26.715 -7.620 28 2HD2 LEU 3 2HD2 LEU 3 -14.207 25.562 -8.950 29 3HD2 LEU 3 3HD2 LEU 3 -14.789 25.030 -7.372 30 H ASN 4 H ASN 4 -13.221 21.982 -9.437 31 HA ASN 4 HA ASN 4 -11.479 19.742 -9.007 32 1HB ASN 4 1HB ASN 4 -12.940 17.974 -9.576 33 2HB ASN 4 2HB ASN 4 -13.845 18.921 -8.404 34 1HD2 ASN 4 2HD2 ASN 4 -15.624 20.138 -9.101 35 2HD2 ASN 4 1HD2 ASN 4 -16.378 19.848 -10.636 36 H GLN 5 H GLN 5 -10.820 18.796 -11.086 37 HA GLN 5 HA GLN 5 -11.531 20.353 -13.439 38 1HB GLN 5 1HB GLN 5 -9.646 21.510 -12.052 39 2HB GLN 5 2HB GLN 5 -8.627 20.227 -12.690 40 1HG GLN 5 1HG GLN 5 -8.292 21.955 -14.183 41 2HG GLN 5 2HG GLN 5 -9.504 20.962 -14.990 42 1HE2 GLN 5 2HE2 GLN 5 -11.645 21.723 -15.127 43 2HE2 GLN 5 1HE2 GLN 5 -12.023 23.391 -14.868 44 H GLU 6 H GLU 6 -11.413 19.122 -15.228 45 HA GLU 6 HA GLU 6 -10.494 16.427 -15.098 46 1HB GLU 6 1HB GLU 6 -11.256 18.154 -17.459 47 2HB GLU 6 2HB GLU 6 -10.925 16.430 -17.554 48 1HG GLU 6 1HG GLU 6 -12.807 15.957 -16.112 49 2HG GLU 6 2HG GLU 6 -13.111 17.683 -15.910 50 H HIS 7 H HIS 7 -8.639 15.552 -15.721 51 HA HIS 7 HA HIS 7 -6.468 15.308 -16.250 52 1HB HIS 7 1HB HIS 7 -7.455 17.051 -18.241 53 2HB HIS 7 2HB HIS 7 -5.877 17.667 -17.758 54 HD1 HIS 7 HD1 HIS 7 -4.248 16.850 -19.426 55 HD2 HIS 7 HD2 HIS 7 -7.018 13.930 -18.396 56 HE1 HIS 7 HE1 HIS 7 -3.516 14.768 -20.631 57 HE2 HIS 7 HE2 HIS 7 -5.111 12.975 -19.852 58 HA PRO 8 HA PRO 8 -4.879 18.413 -13.272 59 1HB PRO 8 1HB PRO 8 -5.409 17.236 -10.927 60 2HB PRO 8 2HB PRO 8 -6.645 18.167 -11.780 61 1HG PRO 8 1HG PRO 8 -6.416 15.251 -11.410 62 2HG PRO 8 2HG PRO 8 -7.849 16.232 -11.755 63 1HD PRO 8 1HD PRO 8 -6.217 14.720 -13.599 64 2HD PRO 8 2HD PRO 8 -7.705 15.631 -13.932 65 H ASP 9 H ASP 9 -3.801 16.057 -14.731 66 HA ASP 9 HA ASP 9 -2.364 14.314 -13.071 67 1HB ASP 9 1HB ASP 9 -1.569 15.159 -15.862 68 2HB ASP 9 2HB ASP 9 -1.176 13.648 -15.052 69 H TYR 10 H TYR 10 -1.052 15.137 -11.536 70 HA TYR 10 HA TYR 10 1.119 16.915 -12.427 71 1HB TYR 10 1HB TYR 10 0.096 16.382 -9.626 72 2HB TYR 10 2HB TYR 10 1.467 17.414 -10.018 73 HD1 TYR 10 HD1 TYR 10 -1.851 17.482 -9.124 74 HD2 TYR 10 HD2 TYR 10 0.799 19.229 -11.958 75 HE1 TYR 10 HE1 TYR 10 -3.380 19.390 -9.368 76 HE2 TYR 10 HE2 TYR 10 -0.724 21.143 -12.209 77 HH TYR 10 HH TYR 10 -3.073 21.678 -11.886 78 H THR 11 H THR 11 3.260 16.365 -11.907 79 HA THR 11 HA THR 11 3.781 13.554 -11.825 80 HB THR 11 HB THR 11 6.203 14.327 -11.725 81 HG1 THR 11 HG1 THR 11 6.156 16.356 -10.924 82 1HG2 THR 11 1HG2 THR 11 4.491 15.404 -13.968 83 2HG2 THR 11 2HG2 THR 11 6.222 15.081 -14.050 84 3HG2 THR 11 3HG2 THR 11 5.084 13.750 -13.831 85 H TYR 12 H TYR 12 3.381 12.547 -9.915 86 HA TYR 12 HA TYR 12 3.818 13.775 -7.391 87 1HB TYR 12 1HB TYR 12 3.224 11.679 -6.407 88 2HB TYR 12 2HB TYR 12 2.202 11.882 -7.821 89 HD1 TYR 12 HD1 TYR 12 4.632 9.819 -6.176 90 HD2 TYR 12 HD2 TYR 12 2.773 10.583 -9.925 91 HE1 TYR 12 HE1 TYR 12 5.360 7.616 -6.976 92 HE2 TYR 12 HE2 TYR 12 3.498 8.376 -10.738 93 HH TYR 12 HH TYR 12 5.403 6.742 -10.164 94 H ALA 13 H ALA 13 5.616 13.932 -6.222 95 HA ALA 13 HA ALA 13 8.051 12.762 -7.331 96 1HB ALA 13 1HB ALA 13 9.241 14.364 -5.966 97 2HB ALA 13 2HB ALA 13 7.977 15.176 -6.888 98 3HB ALA 13 3HB ALA 13 7.737 14.841 -5.173 99 H LEU 14 H LEU 14 6.664 13.239 -4.084 100 HA LEU 14 HA LEU 14 6.984 12.178 -2.106 101 1HB LEU 14 1HB LEU 14 5.766 10.400 -3.342 102 2HB LEU 14 2HB LEU 14 7.304 9.728 -3.846 103 HG LEU 14 HG LEU 14 7.862 9.323 -1.454 104 1HD1 LEU 14 1HD1 LEU 14 5.001 10.153 -0.996 105 2HD1 LEU 14 2HD1 LEU 14 6.072 9.431 0.205 106 3HD1 LEU 14 3HD1 LEU 14 6.436 11.026 -0.456 107 1HD2 LEU 14 1HD2 LEU 14 6.372 7.407 -1.187 108 2HD2 LEU 14 2HD2 LEU 14 5.304 8.057 -2.431 109 3HD2 LEU 14 3HD2 LEU 14 6.940 7.548 -2.849 110 H ARG 15 H ARG 15 8.976 13.384 -1.909 111 HA ARG 15 HA ARG 15 11.409 11.785 -2.372 112 1HB ARG 15 1HB ARG 15 11.123 14.788 -2.187 113 2HB ARG 15 2HB ARG 15 12.624 13.918 -2.462 114 1HG ARG 15 1HG ARG 15 11.717 13.070 -4.585 115 2HG ARG 15 2HG ARG 15 10.251 14.016 -4.312 116 1HD ARG 15 1HD ARG 15 11.602 16.066 -4.253 117 2HD ARG 15 2HD ARG 15 13.050 15.111 -4.557 118 HE ARG 15 HE ARG 15 10.829 15.436 -6.474 119 1HH1 ARG 15 1HH1 ARG 15 14.226 14.894 -5.754 120 2HH1 ARG 15 2HH1 ARG 15 14.720 15.005 -7.421 121 1HH2 ARG 15 1HH2 ARG 15 11.489 15.576 -8.668 122 2HH2 ARG 15 2HH2 ARG 15 13.172 15.371 -9.062 123 H ALA 16 H ALA 16 9.421 12.411 0.063 124 HA ALA 16 HA ALA 16 11.557 12.463 2.036 125 1HB ALA 16 1HB ALA 16 11.007 14.821 1.687 126 2HB ALA 16 2HB ALA 16 9.320 14.482 2.076 127 3HB ALA 16 3HB ALA 16 10.566 14.282 3.308 128 H ALA 17 H ALA 17 11.177 11.101 3.612 129 HA ALA 17 HA ALA 17 8.396 10.353 4.249 130 1HB ALA 17 1HB ALA 17 9.445 8.556 2.965 131 2HB ALA 17 2HB ALA 17 10.775 8.496 4.122 132 3HB ALA 17 3HB ALA 17 9.144 8.051 4.629 133 H ASP 18 H ASP 18 7.917 10.833 6.294 134 HA ASP 18 HA ASP 18 10.134 10.982 8.236 135 1HB ASP 18 1HB ASP 18 7.636 12.665 8.024 136 2HB ASP 18 2HB ASP 18 8.689 12.674 9.435 137 H GLY 19 H GLY 19 7.752 9.005 7.421 138 1HA GLY 19 1HA GLY 19 6.913 7.213 8.638 139 2HA GLY 19 2HA GLY 19 7.528 7.955 10.107 140 H ARG 20 H ARG 20 6.326 10.254 10.416 141 HA ARG 20 HA ARG 20 3.558 9.491 10.800 142 1HB ARG 20 1HB ARG 20 5.100 11.929 11.693 143 2HB ARG 20 2HB ARG 20 3.387 11.698 12.004 144 1HG ARG 20 1HG ARG 20 4.217 10.907 13.955 145 2HG ARG 20 2HG ARG 20 4.249 9.411 13.018 146 1HD ARG 20 1HD ARG 20 6.345 9.569 14.103 147 2HD ARG 20 2HD ARG 20 6.629 9.982 12.412 148 HE ARG 20 HE ARG 20 6.107 12.297 14.006 149 1HH1 ARG 20 1HH1 ARG 20 8.605 10.006 13.101 150 2HH1 ARG 20 2HH1 ARG 20 9.913 11.090 13.485 151 1HH2 ARG 20 1HH2 ARG 20 7.826 13.708 14.520 152 2HH2 ARG 20 2HH2 ARG 20 9.470 13.191 14.295 153 H HIS 21 H HIS 21 5.303 11.093 8.418 154 HA HIS 21 HA HIS 21 2.926 11.692 6.979 155 1HB HIS 21 1HB HIS 21 3.241 14.107 6.697 156 2HB HIS 21 2HB HIS 21 2.932 13.703 8.378 157 HD1 HIS 21 HD1 HIS 21 4.484 14.719 10.027 158 HD2 HIS 21 HD2 HIS 21 6.112 14.624 6.194 159 HE1 HIS 21 HE1 HIS 21 6.645 16.012 10.166 160 HE2 HIS 21 HE2 HIS 21 7.561 16.024 7.814 161 H ALA 22 H ALA 22 3.374 12.485 4.801 162 HA ALA 22 HA ALA 22 6.171 12.112 3.968 163 1HB ALA 22 1HB ALA 22 5.439 10.814 2.034 164 2HB ALA 22 2HB ALA 22 4.960 10.024 3.535 165 3HB ALA 22 3HB ALA 22 3.767 10.914 2.588 166 H LYS 23 H LYS 23 6.784 13.305 2.126 167 HA LYS 23 HA LYS 23 5.040 15.597 1.629 168 1HB LYS 23 1HB LYS 23 7.953 15.128 1.018 169 2HB LYS 23 2HB LYS 23 7.068 16.541 0.469 170 1HG LYS 23 1HG LYS 23 6.556 17.033 2.876 171 2HG LYS 23 2HG LYS 23 7.696 15.749 3.296 172 1HD LYS 23 1HD LYS 23 9.449 16.907 2.033 173 2HD LYS 23 2HD LYS 23 8.310 18.194 1.643 174 1HE LYS 23 1HE LYS 23 8.068 18.657 4.059 175 2HE LYS 23 2HE LYS 23 9.296 17.432 4.389 176 1HZ LYS 23 1HZ LYS 23 9.649 19.952 2.861 177 2HZ LYS 23 2HZ LYS 23 10.340 19.564 4.362 178 3HZ LYS 23 3HZ LYS 23 10.826 18.734 2.963 179 H VAL 24 H VAL 24 3.657 15.352 0.033 180 HA VAL 24 HA VAL 24 4.513 14.016 -2.426 181 HB VAL 24 HB VAL 24 1.783 15.115 -1.711 182 1HG1 VAL 24 1HG1 VAL 24 0.995 13.783 -3.612 183 2HG1 VAL 24 2HG1 VAL 24 2.163 15.002 -4.117 184 3HG1 VAL 24 3HG1 VAL 24 2.657 13.316 -3.971 185 1HG2 VAL 24 1HG2 VAL 24 1.151 12.747 -1.398 186 2HG2 VAL 24 2HG2 VAL 24 2.844 12.293 -1.605 187 3HG2 VAL 24 3HG2 VAL 24 2.358 13.290 -0.232 188 H ASN 25 H ASN 25 5.900 15.472 -3.285 189 HA ASN 25 HA ASN 25 6.592 17.188 -4.584 190 1HB ASN 25 1HB ASN 25 3.641 17.831 -4.728 191 2HB ASN 25 2HB ASN 25 4.876 18.715 -5.615 192 1HD2 ASN 25 2HD2 ASN 25 4.009 18.167 -7.582 193 2HD2 ASN 25 1HD2 ASN 25 4.146 16.563 -8.238 194 H GLU 26 H GLU 26 3.910 19.027 -3.320 195 HA GLU 26 HA GLU 26 5.787 20.603 -1.694 196 1HB GLU 26 1HB GLU 26 3.607 21.643 -3.519 197 2HB GLU 26 2HB GLU 26 4.600 22.633 -2.457 198 1HG GLU 26 1HG GLU 26 6.534 22.257 -3.723 199 2HG GLU 26 2HG GLU 26 5.818 20.884 -4.564 200 H GLN 27 H GLN 27 3.346 18.571 -1.518 201 HA GLN 27 HA GLN 27 1.959 20.050 0.618 202 1HB GLN 27 1HB GLN 27 0.825 17.916 -1.198 203 2HB GLN 27 2HB GLN 27 -0.038 18.705 0.115 204 1HG GLN 27 1HG GLN 27 0.107 20.833 -1.029 205 2HG GLN 27 2HG GLN 27 1.054 20.097 -2.321 206 1HE2 GLN 27 2HE2 GLN 27 -0.552 17.648 -2.278 207 2HE2 GLN 27 1HE2 GLN 27 -2.044 18.049 -3.049 208 H ILE 28 H ILE 28 2.029 19.168 2.573 209 HA ILE 28 HA ILE 28 3.346 16.590 2.889 210 HB ILE 28 HB ILE 28 2.525 18.621 4.974 211 1HG1 ILE 28 1HG1 ILE 28 5.245 18.007 3.792 212 2HG1 ILE 28 2HG1 ILE 28 4.277 19.432 3.431 213 1HG2 ILE 28 1HG2 ILE 28 3.973 17.345 6.489 214 2HG2 ILE 28 2HG2 ILE 28 2.629 16.371 5.893 215 3HG2 ILE 28 3HG2 ILE 28 4.244 16.155 5.217 216 1HD1 ILE 28 1HD1 ILE 28 4.447 20.127 5.771 217 2HD1 ILE 28 2HD1 ILE 28 5.443 18.710 6.110 218 3HD1 ILE 28 3HD1 ILE 28 6.030 19.959 5.011 219 H LEU 29 H LEU 29 2.111 14.836 2.911 220 HA LEU 29 HA LEU 29 -0.638 15.067 3.925 221 1HB LEU 29 1HB LEU 29 0.626 13.049 2.076 222 2HB LEU 29 2HB LEU 29 -0.990 12.881 2.732 223 HG LEU 29 HG LEU 29 -0.048 15.096 0.904 224 1HD1 LEU 29 1HD1 LEU 29 -1.914 12.775 0.431 225 2HD1 LEU 29 2HD1 LEU 29 -1.571 14.074 -0.713 226 3HD1 LEU 29 3HD1 LEU 29 -0.291 12.958 -0.237 227 1HD2 LEU 29 1HD2 LEU 29 -2.805 14.537 1.996 228 2HD2 LEU 29 2HD2 LEU 29 -1.744 15.842 2.526 229 3HD2 LEU 29 3HD2 LEU 29 -2.359 15.823 0.874 230 H GLN 30 H GLN 30 -1.309 13.920 5.621 231 HA GLN 30 HA GLN 30 0.357 11.741 6.626 232 1HB GLN 30 1HB GLN 30 0.025 12.566 8.959 233 2HB GLN 30 2HB GLN 30 1.050 13.596 7.973 234 1HG GLN 30 1HG GLN 30 -0.864 15.104 7.616 235 2HG GLN 30 2HG GLN 30 -1.830 14.092 8.690 236 1HE2 GLN 30 2HE2 GLN 30 -1.060 16.893 8.956 237 2HE2 GLN 30 1HE2 GLN 30 -0.220 17.016 10.462 238 H GLN 31 H GLN 31 -1.702 11.163 5.179 239 HA GLN 31 HA GLN 31 -3.765 10.282 7.075 240 1HB GLN 31 1HB GLN 31 -4.237 11.375 4.288 241 2HB GLN 31 2HB GLN 31 -5.464 10.600 5.277 242 1HG GLN 31 1HG GLN 31 -3.991 13.105 6.056 243 2HG GLN 31 2HG GLN 31 -5.566 13.078 5.264 244 1HE2 GLN 31 2HE2 GLN 31 -6.453 10.720 6.730 245 2HE2 GLN 31 1HE2 GLN 31 -6.800 11.252 8.334 246 H SER 32 H SER 32 -5.251 8.692 5.501 247 HA SER 32 HA SER 32 -3.370 6.664 4.574 248 1HB SER 32 1HB SER 32 -6.366 6.452 4.959 249 2HB SER 32 2HB SER 32 -5.237 5.121 4.697 250 HG SER 32 HG SER 32 -5.612 5.227 6.873 251 H PHE 33 H PHE 33 -2.967 6.462 2.461 252 HA PHE 33 HA PHE 33 -5.086 6.890 0.532 253 1HB PHE 33 1HB PHE 33 -3.760 8.472 -0.839 254 2HB PHE 33 2HB PHE 33 -4.217 9.147 0.719 255 HD1 PHE 33 HD1 PHE 33 -2.539 9.562 2.436 256 HD2 PHE 33 HD2 PHE 33 -1.459 8.023 -1.384 257 HE1 PHE 33 HE1 PHE 33 -0.188 10.143 2.868 258 HE2 PHE 33 HE2 PHE 33 0.892 8.595 -0.954 259 HZ PHE 33 HZ PHE 33 1.531 9.656 1.173 260 H ILE 34 H ILE 34 -4.713 5.951 -1.465 261 HA ILE 34 HA ILE 34 -2.499 4.021 -1.520 262 HB ILE 34 HB ILE 34 -4.941 4.142 -3.302 263 1HG1 ILE 34 1HG1 ILE 34 -4.403 2.324 -0.942 264 2HG1 ILE 34 2HG1 ILE 34 -5.490 3.708 -0.910 265 1HG2 ILE 34 1HG2 ILE 34 -4.316 1.855 -3.924 266 2HG2 ILE 34 2HG2 ILE 34 -3.040 3.005 -4.322 267 3HG2 ILE 34 3HG2 ILE 34 -2.883 1.970 -2.902 268 1HD1 ILE 34 1HD1 ILE 34 -6.718 1.633 -1.176 269 2HD1 ILE 34 2HD1 ILE 34 -6.885 2.648 -2.611 270 3HD1 ILE 34 3HD1 ILE 34 -5.796 1.261 -2.633 271 H LEU 35 H LEU 35 -0.772 4.540 -2.686 272 HA LEU 35 HA LEU 35 -1.071 6.575 -4.785 273 1HB LEU 35 1HB LEU 35 0.457 7.156 -2.958 274 2HB LEU 35 2HB LEU 35 1.385 5.701 -3.263 275 HG LEU 35 HG LEU 35 2.035 6.563 -5.468 276 1HD1 LEU 35 1HD1 LEU 35 0.535 9.049 -4.649 277 2HD1 LEU 35 2HD1 LEU 35 1.544 8.871 -6.085 278 3HD1 LEU 35 3HD1 LEU 35 0.062 7.929 -5.925 279 1HD2 LEU 35 1HD2 LEU 35 3.464 7.006 -3.548 280 2HD2 LEU 35 2HD2 LEU 35 3.506 8.352 -4.686 281 3HD2 LEU 35 3HD2 LEU 35 2.561 8.483 -3.204 282 H MET 36 H MET 36 -0.873 6.000 -6.812 283 HA MET 36 HA MET 36 0.824 3.718 -7.534 284 1HB MET 36 1HB MET 36 -1.972 4.267 -8.564 285 2HB MET 36 2HB MET 36 -0.866 3.114 -9.292 286 1HG MET 36 1HG MET 36 -0.876 1.798 -7.244 287 2HG MET 36 2HG MET 36 -1.962 2.968 -6.492 288 1HE MET 36 1HE MET 36 -4.291 -0.147 -7.077 289 2HE MET 36 2HE MET 36 -3.643 0.985 -5.886 290 3HE MET 36 3HE MET 36 -2.576 -0.195 -6.665 291 HA PRO 37 HA PRO 37 2.207 6.539 -10.737 292 1HB PRO 37 1HB PRO 37 2.784 4.753 -12.726 293 2HB PRO 37 2HB PRO 37 3.846 5.056 -11.347 294 1HG PRO 37 1HG PRO 37 1.908 2.824 -11.796 295 2HG PRO 37 2HG PRO 37 3.532 2.773 -11.088 296 1HD PRO 37 1HD PRO 37 1.282 2.720 -9.583 297 2HD PRO 37 2HD PRO 37 2.790 3.468 -9.021 298 H ASP 38 H ASP 38 -0.381 4.328 -11.044 299 HA ASP 38 HA ASP 38 -1.357 5.255 -13.587 300 1HB ASP 38 1HB ASP 38 -2.641 3.530 -11.451 301 2HB ASP 38 2HB ASP 38 -3.355 3.863 -13.025 302 H GLU 39 H GLU 39 -2.217 5.719 -10.176 303 HA GLU 39 HA GLU 39 -3.270 8.315 -10.628 304 1HB GLU 39 1HB GLU 39 -5.609 7.912 -10.092 305 2HB GLU 39 2HB GLU 39 -5.162 7.005 -11.531 306 1HG GLU 39 1HG GLU 39 -4.994 4.970 -10.233 307 2HG GLU 39 2HG GLU 39 -5.346 5.861 -8.753 308 H LEU 40 H LEU 40 -4.503 9.050 -8.569 309 HA LEU 40 HA LEU 40 -3.226 7.835 -6.212 310 1HB LEU 40 1HB LEU 40 -2.327 10.041 -6.593 311 2HB LEU 40 2HB LEU 40 -3.935 10.716 -6.771 312 HG LEU 40 HG LEU 40 -4.376 10.235 -4.379 313 1HD1 LEU 40 1HD1 LEU 40 -1.470 9.444 -4.313 314 2HD1 LEU 40 2HD1 LEU 40 -2.519 9.655 -2.909 315 3HD1 LEU 40 3HD1 LEU 40 -2.849 8.370 -4.072 316 1HD2 LEU 40 1HD2 LEU 40 -2.939 12.001 -3.486 317 2HD2 LEU 40 2HD2 LEU 40 -1.925 11.900 -4.924 318 3HD2 LEU 40 3HD2 LEU 40 -3.599 12.434 -5.062 319 H VAL 41 H VAL 41 -4.557 7.023 -4.727 320 HA VAL 41 HA VAL 41 -7.379 7.884 -4.769 321 HB VAL 41 HB VAL 41 -6.299 5.267 -3.696 322 1HG1 VAL 41 1HG1 VAL 41 -8.346 6.012 -2.600 323 2HG1 VAL 41 2HG1 VAL 41 -9.127 6.209 -4.169 324 3HG1 VAL 41 3HG1 VAL 41 -8.657 4.602 -3.615 325 1HG2 VAL 41 1HG2 VAL 41 -7.297 4.213 -5.659 326 2HG2 VAL 41 2HG2 VAL 41 -7.756 5.796 -6.284 327 3HG2 VAL 41 3HG2 VAL 41 -6.052 5.370 -6.127 328 H GLU 42 H GLU 42 -7.164 9.595 -3.352 329 HA GLU 42 HA GLU 42 -5.887 9.140 -0.774 330 1HB GLU 42 1HB GLU 42 -6.025 11.478 -0.419 331 2HB GLU 42 2HB GLU 42 -5.578 11.272 -2.104 332 1HG GLU 42 1HG GLU 42 -8.373 11.821 -1.139 333 2HG GLU 42 2HG GLU 42 -7.242 13.056 -1.684 334 H HIS 43 H HIS 43 -8.999 9.170 -2.193 335 HA HIS 43 HA HIS 43 -10.439 9.513 0.281 336 1HB HIS 43 1HB HIS 43 -11.250 8.815 -2.533 337 2HB HIS 43 2HB HIS 43 -12.395 8.714 -1.201 338 HD1 HIS 43 HD1 HIS 43 -10.409 11.203 -3.210 339 HD2 HIS 43 HD2 HIS 43 -13.378 11.142 -0.294 340 HE1 HIS 43 HE1 HIS 43 -11.319 13.550 -3.110 341 HE2 HIS 43 HE2 HIS 43 -13.230 13.442 -1.467 342 H TRP 44 H TRP 44 -8.850 7.686 1.048 343 HA TRP 44 HA TRP 44 -10.301 5.130 0.808 344 1HB TRP 44 1HB TRP 44 -7.992 5.175 -0.226 345 2HB TRP 44 2HB TRP 44 -7.349 5.442 1.389 346 HD1 TRP 44 HD1 TRP 44 -9.981 2.868 0.134 347 HE1 TRP 44 HE1 TRP 44 -9.213 0.524 0.881 348 HE3 TRP 44 HE3 TRP 44 -5.561 4.145 2.365 349 HZ2 TRP 44 HZ2 TRP 44 -7.011 -0.625 2.230 350 HZ3 TRP 44 HZ3 TRP 44 -4.183 2.363 3.359 351 HH2 TRP 44 HH2 TRP 44 -4.896 0.030 3.291 352 HA PRO 45 HA PRO 45 -10.745 6.508 5.098 353 1HB PRO 45 1HB PRO 45 -13.089 5.282 5.584 354 2HB PRO 45 2HB PRO 45 -12.985 6.768 4.631 355 1HG PRO 45 1HG PRO 45 -13.262 3.938 3.706 356 2HG PRO 45 2HG PRO 45 -14.067 5.398 3.103 357 1HD PRO 45 1HD PRO 45 -11.894 4.244 1.898 358 2HD PRO 45 2HD PRO 45 -12.300 5.966 1.766 359 H VAL 46 H VAL 46 -8.813 4.961 5.297 360 HA VAL 46 HA VAL 46 -9.692 2.813 7.103 361 HB VAL 46 HB VAL 46 -7.358 2.636 5.184 362 1HG1 VAL 46 1HG1 VAL 46 -7.012 0.388 6.093 363 2HG1 VAL 46 2HG1 VAL 46 -6.811 1.620 7.339 364 3HG1 VAL 46 3HG1 VAL 46 -8.292 0.666 7.273 365 1HG2 VAL 46 1HG2 VAL 46 -9.517 2.244 4.121 366 2HG2 VAL 46 2HG2 VAL 46 -8.594 0.746 4.229 367 3HG2 VAL 46 3HG2 VAL 46 -9.919 1.049 5.354 368 HA PRO 47 HA PRO 47 -6.866 5.539 9.454 369 1HB PRO 47 1HB PRO 47 -8.692 5.239 11.666 370 2HB PRO 47 2HB PRO 47 -8.312 6.697 10.749 371 1HG PRO 47 1HG PRO 47 -10.748 5.429 10.691 372 2HG PRO 47 2HG PRO 47 -10.130 6.465 9.393 373 1HD PRO 47 1HD PRO 47 -10.176 3.477 9.582 374 2HD PRO 47 2HD PRO 47 -10.460 4.525 8.175 375 H SER 48 H SER 48 -5.440 3.719 9.392 376 HA SER 48 HA SER 48 -4.099 2.189 10.396 377 1HB SER 48 1HB SER 48 -5.729 2.762 12.887 378 2HB SER 48 2HB SER 48 -4.172 1.933 12.833 379 HG SER 48 HG SER 48 -4.248 4.407 11.610 380 H LEU 49 H LEU 49 -4.646 0.193 12.285 381 HA LEU 49 HA LEU 49 -6.216 -1.579 10.638 382 1HB LEU 49 1HB LEU 49 -4.767 -2.101 13.234 383 2HB LEU 49 2HB LEU 49 -5.455 -3.325 12.181 384 HG LEU 49 HG LEU 49 -3.165 -1.481 11.482 385 1HD1 LEU 49 1HD1 LEU 49 -3.206 -4.445 12.023 386 2HD1 LEU 49 2HD1 LEU 49 -1.804 -3.492 11.536 387 3HD1 LEU 49 3HD1 LEU 49 -2.562 -3.210 13.104 388 1HD2 LEU 49 1HD2 LEU 49 -2.967 -2.828 9.452 389 2HD2 LEU 49 2HD2 LEU 49 -4.410 -3.734 9.908 390 3HD2 LEU 49 3HD2 LEU 49 -4.531 -2.017 9.531 391 H GLY 50 H GLY 50 -7.922 -2.944 11.531 392 1HA GLY 50 1HA GLY 50 -9.677 -3.274 13.146 393 2HA GLY 50 2HA GLY 50 -9.427 -1.619 13.691 394 H GLN 51 H GLN 51 -9.548 -0.069 11.620 395 HA GLN 51 HA GLN 51 -12.200 -0.410 10.530 396 1HB GLN 51 1HB GLN 51 -10.167 1.809 10.253 397 2HB GLN 51 2HB GLN 51 -11.737 1.830 9.466 398 1HG GLN 51 1HG GLN 51 -12.211 3.045 11.321 399 2HG GLN 51 2HG GLN 51 -12.608 1.434 11.910 400 1HE2 GLN 51 2HE2 GLN 51 -11.894 3.768 13.425 401 2HE2 GLN 51 1HE2 GLN 51 -10.486 3.352 14.336 402 H LEU 52 H LEU 52 -9.119 -1.346 9.667 403 HA LEU 52 HA LEU 52 -9.427 -1.253 6.824 404 1HB LEU 52 1HB LEU 52 -7.198 -1.385 7.808 405 2HB LEU 52 2HB LEU 52 -7.592 -2.920 8.554 406 HG LEU 52 HG LEU 52 -7.775 -3.962 6.334 407 1HD1 LEU 52 1HD1 LEU 52 -6.872 -1.286 5.280 408 2HD1 LEU 52 2HD1 LEU 52 -7.088 -2.763 4.338 409 3HD1 LEU 52 3HD1 LEU 52 -8.482 -1.979 5.082 410 1HD2 LEU 52 1HD2 LEU 52 -5.389 -3.858 5.743 411 2HD2 LEU 52 2HD2 LEU 52 -5.199 -2.469 6.811 412 3HD2 LEU 52 3HD2 LEU 52 -5.642 -4.040 7.479 413 H GLN 53 H GLN 53 -11.529 -2.069 6.614 414 HA GLN 53 HA GLN 53 -12.129 -4.775 7.422 415 1HB GLN 53 1HB GLN 53 -13.732 -2.893 5.683 416 2HB GLN 53 2HB GLN 53 -14.319 -4.351 6.469 417 1HG GLN 53 1HG GLN 53 -13.936 -3.315 8.653 418 2HG GLN 53 2HG GLN 53 -13.377 -1.850 7.848 419 1HE2 GLN 53 2HE2 GLN 53 -15.999 -3.818 6.658 420 2HE2 GLN 53 1HE2 GLN 53 -17.261 -2.678 6.984 421 HA PRO 54 HA PRO 54 -11.106 -6.915 3.624 422 1HB PRO 54 1HB PRO 54 -13.874 -8.010 3.782 423 2HB PRO 54 2HB PRO 54 -12.335 -8.865 3.615 424 1HG PRO 54 1HG PRO 54 -13.632 -8.848 5.940 425 2HG PRO 54 2HG PRO 54 -11.863 -8.732 5.883 426 1HD PRO 54 1HD PRO 54 -13.890 -6.596 6.387 427 2HD PRO 54 2HD PRO 54 -12.282 -6.818 7.108 428 H ALA 55 H ALA 55 -14.237 -5.332 3.998 429 HA ALA 55 HA ALA 55 -14.671 -5.055 1.172 430 1HB ALA 55 1HB ALA 55 -16.554 -5.270 2.703 431 2HB ALA 55 2HB ALA 55 -16.098 -3.757 3.488 432 3HB ALA 55 3HB ALA 55 -16.634 -3.751 1.809 433 H HIS 56 H HIS 56 -12.766 -3.408 3.425 434 HA HIS 56 HA HIS 56 -12.843 -0.903 1.912 435 1HB HIS 56 1HB HIS 56 -11.821 -1.666 4.605 436 2HB HIS 56 2HB HIS 56 -10.985 -0.365 3.761 437 HD1 HIS 56 HD1 HIS 56 -12.544 0.242 6.355 438 HD2 HIS 56 HD2 HIS 56 -14.132 0.583 2.519 439 HE1 HIS 56 HE1 HIS 56 -14.446 1.873 6.546 440 HE2 HIS 56 HE2 HIS 56 -15.322 2.152 4.194 441 H MET 57 H MET 57 -10.979 -3.758 2.293 442 HA MET 57 HA MET 57 -8.762 -2.670 0.725 443 1HB MET 57 1HB MET 57 -8.413 -4.249 2.686 444 2HB MET 57 2HB MET 57 -9.161 -5.505 1.712 445 1HG MET 57 1HG MET 57 -6.782 -5.730 1.600 446 2HG MET 57 2HG MET 57 -7.388 -5.218 0.026 447 1HE MET 57 1HE MET 57 -4.308 -5.077 1.088 448 2HE MET 57 2HE MET 57 -3.821 -3.528 0.399 449 3HE MET 57 3HE MET 57 -4.792 -4.647 -0.556 450 H ASP 58 H ASP 58 -11.757 -3.815 0.258 451 HA ASP 58 HA ASP 58 -11.673 -5.810 -1.664 452 1HB ASP 58 1HB ASP 58 -13.694 -5.123 -0.449 453 2HB ASP 58 2HB ASP 58 -13.706 -3.596 -1.321 454 H ALA 59 H ALA 59 -11.592 -2.290 -2.074 455 HA ALA 59 HA ALA 59 -11.735 -2.161 -4.850 456 1HB ALA 59 1HB ALA 59 -11.838 -0.195 -3.398 457 2HB ALA 59 2HB ALA 59 -10.127 -0.388 -3.014 458 3HB ALA 59 3HB ALA 59 -10.622 0.001 -4.661 459 H VAL 60 H VAL 60 -8.909 -2.638 -2.767 460 HA VAL 60 HA VAL 60 -7.027 -2.584 -4.913 461 HB VAL 60 HB VAL 60 -6.634 -3.792 -2.172 462 1HG1 VAL 60 1HG1 VAL 60 -4.681 -2.658 -4.170 463 2HG1 VAL 60 2HG1 VAL 60 -4.273 -3.243 -2.557 464 3HG1 VAL 60 3HG1 VAL 60 -4.896 -4.362 -3.770 465 1HG2 VAL 60 1HG2 VAL 60 -6.212 -0.936 -3.048 466 2HG2 VAL 60 2HG2 VAL 60 -7.472 -1.509 -1.955 467 3HG2 VAL 60 3HG2 VAL 60 -5.778 -1.610 -1.477 468 H LEU 61 H LEU 61 -8.778 -5.084 -3.176 469 HA LEU 61 HA LEU 61 -7.390 -7.301 -4.281 470 1HB LEU 61 1HB LEU 61 -10.178 -7.153 -3.136 471 2HB LEU 61 2HB LEU 61 -9.285 -8.628 -3.448 472 HG LEU 61 HG LEU 61 -8.464 -6.500 -1.469 473 1HD1 LEU 61 1HD1 LEU 61 -10.499 -7.652 -0.780 474 2HD1 LEU 61 2HD1 LEU 61 -9.703 -9.209 -1.017 475 3HD1 LEU 61 3HD1 LEU 61 -9.132 -8.108 0.235 476 1HD2 LEU 61 1HD2 LEU 61 -6.572 -7.742 -2.408 477 2HD2 LEU 61 2HD2 LEU 61 -6.834 -8.146 -0.711 478 3HD2 LEU 61 3HD2 LEU 61 -7.355 -9.261 -1.973 479 H ALA 62 H ALA 62 -9.752 -5.187 -5.529 480 HA ALA 62 HA ALA 62 -10.680 -7.047 -7.558 481 1HB ALA 62 1HB ALA 62 -12.257 -5.460 -6.545 482 2HB ALA 62 2HB ALA 62 -11.310 -4.119 -7.196 483 3HB ALA 62 3HB ALA 62 -12.125 -5.237 -8.289 484 H LEU 63 H LEU 63 -8.631 -4.182 -7.295 485 HA LEU 63 HA LEU 63 -8.209 -3.821 -10.070 486 1HB LEU 63 1HB LEU 63 -6.494 -2.993 -7.728 487 2HB LEU 63 2HB LEU 63 -6.282 -2.430 -9.375 488 HG LEU 63 HG LEU 63 -8.711 -1.921 -7.651 489 1HD1 LEU 63 1HD1 LEU 63 -7.931 0.394 -7.630 490 2HD1 LEU 63 2HD1 LEU 63 -6.754 -0.690 -6.886 491 3HD1 LEU 63 3HD1 LEU 63 -6.486 -0.084 -8.520 492 1HD2 LEU 63 1HD2 LEU 63 -8.002 -0.913 -10.405 493 2HD2 LEU 63 2HD2 LEU 63 -9.279 -2.066 -10.017 494 3HD2 LEU 63 3HD2 LEU 63 -9.391 -0.401 -9.445 495 H ASN 64 H ASN 64 -6.546 -5.674 -7.610 496 HA ASN 64 HA ASN 64 -5.084 -7.393 -7.696 497 1HB ASN 64 1HB ASN 64 -6.003 -7.456 -10.560 498 2HB ASN 64 2HB ASN 64 -4.812 -8.592 -9.935 499 1HD2 ASN 64 2HD2 ASN 64 -6.062 -8.697 -7.300 500 2HD2 ASN 64 1HD2 ASN 64 -7.492 -9.648 -7.490 501 HA PRO 65 HA PRO 65 -1.526 -5.000 -9.236 502 1HB PRO 65 1HB PRO 65 -0.472 -4.905 -6.608 503 2HB PRO 65 2HB PRO 65 -1.177 -3.581 -7.535 504 1HG PRO 65 1HG PRO 65 -2.262 -4.704 -5.227 505 2HG PRO 65 2HG PRO 65 -3.132 -3.690 -6.390 506 1HD PRO 65 1HD PRO 65 -3.108 -6.662 -6.105 507 2HD PRO 65 2HD PRO 65 -4.438 -5.581 -6.575 508 H ALA 66 H ALA 66 0.734 -5.708 -9.207 509 HA ALA 66 HA ALA 66 1.061 -8.544 -8.953 510 1HB ALA 66 1HB ALA 66 2.217 -7.270 -10.705 511 2HB ALA 66 2HB ALA 66 3.126 -6.399 -9.469 512 3HB ALA 66 3HB ALA 66 3.359 -8.135 -9.676 513 H VAL 67 H VAL 67 2.030 -5.684 -7.175 514 HA VAL 67 HA VAL 67 2.446 -7.345 -4.821 515 HB VAL 67 HB VAL 67 4.691 -7.182 -5.708 516 1HG1 VAL 67 1HG1 VAL 67 5.812 -5.026 -6.036 517 2HG1 VAL 67 2HG1 VAL 67 4.439 -5.229 -7.123 518 3HG1 VAL 67 3HG1 VAL 67 4.293 -4.195 -5.702 519 1HG2 VAL 67 1HG2 VAL 67 4.488 -7.077 -3.293 520 2HG2 VAL 67 2HG2 VAL 67 5.835 -6.077 -3.836 521 3HG2 VAL 67 3HG2 VAL 67 4.313 -5.322 -3.364 522 H ILE 68 H ILE 68 1.674 -6.439 -3.021 523 HA ILE 68 HA ILE 68 0.814 -3.628 -3.143 524 HB ILE 68 HB ILE 68 -0.032 -5.805 -1.216 525 1HG1 ILE 68 1HG1 ILE 68 -1.540 -4.526 -3.508 526 2HG1 ILE 68 2HG1 ILE 68 -0.868 -6.155 -3.514 527 1HG2 ILE 68 1HG2 ILE 68 -1.719 -4.211 -0.458 528 2HG2 ILE 68 2HG2 ILE 68 -0.093 -3.568 -0.224 529 3HG2 ILE 68 3HG2 ILE 68 -1.082 -2.997 -1.568 530 1HD1 ILE 68 1HD1 ILE 68 -3.018 -5.161 -1.657 531 2HD1 ILE 68 2HD1 ILE 68 -3.272 -6.149 -3.097 532 3HD1 ILE 68 3HD1 ILE 68 -2.374 -6.801 -1.725 533 H LEU 69 H LEU 69 1.836 -2.165 -1.931 534 HA LEU 69 HA LEU 69 3.749 -3.150 0.080 535 1HB LEU 69 1HB LEU 69 4.368 -1.695 -2.076 536 2HB LEU 69 2HB LEU 69 3.906 -0.382 -1.012 537 HG LEU 69 HG LEU 69 6.071 -2.412 -0.451 538 1HD1 LEU 69 1HD1 LEU 69 7.587 -0.503 -0.752 539 2HD1 LEU 69 2HD1 LEU 69 6.706 -0.902 -2.225 540 3HD1 LEU 69 3HD1 LEU 69 6.217 0.486 -1.254 541 1HD2 LEU 69 1HD2 LEU 69 6.648 -0.961 1.438 542 2HD2 LEU 69 2HD2 LEU 69 5.235 0.037 1.097 543 3HD2 LEU 69 3HD2 LEU 69 5.026 -1.638 1.605 544 H LEU 70 H LEU 70 3.007 -2.911 2.070 545 HA LEU 70 HA LEU 70 1.020 -0.826 2.621 546 1HB LEU 70 1HB LEU 70 0.404 -3.138 3.179 547 2HB LEU 70 2HB LEU 70 1.811 -3.267 4.216 548 HG LEU 70 HG LEU 70 0.860 -1.486 5.666 549 1HD1 LEU 70 1HD1 LEU 70 -1.581 -1.810 3.929 550 2HD1 LEU 70 2HD1 LEU 70 -1.470 -0.851 5.405 551 3HD1 LEU 70 3HD1 LEU 70 -0.537 -0.389 3.982 552 1HD2 LEU 70 1HD2 LEU 70 -0.887 -3.903 5.219 553 2HD2 LEU 70 2HD2 LEU 70 0.555 -3.828 6.232 554 3HD2 LEU 70 3HD2 LEU 70 -0.878 -2.897 6.668 555 H GLY 71 H GLY 71 1.659 0.960 3.611 556 1HA GLY 71 1HA GLY 71 4.060 0.823 5.336 557 2HA GLY 71 2HA GLY 71 3.582 2.253 4.429 558 H THR 72 H THR 72 3.228 0.488 7.334 559 HA THR 72 HA THR 72 0.786 1.821 8.153 560 HB THR 72 HB THR 72 1.180 0.543 10.304 561 HG1 THR 72 HG1 THR 72 3.235 -0.060 10.435 562 1HG2 THR 72 1HG2 THR 72 0.566 -1.619 9.328 563 2HG2 THR 72 2HG2 THR 72 -0.298 -0.295 8.545 564 3HG2 THR 72 3HG2 THR 72 1.079 -1.049 7.739 565 H GLY 73 H GLY 73 2.429 3.840 7.716 566 1HA GLY 73 1HA GLY 73 3.653 5.591 8.569 567 2HA GLY 73 2HA GLY 73 2.754 5.277 10.044 568 H GLU 74 H GLU 74 3.712 4.203 11.710 569 HA GLU 74 HA GLU 74 6.433 3.201 11.345 570 1HB GLU 74 1HB GLU 74 6.562 5.502 12.308 571 2HB GLU 74 2HB GLU 74 5.571 4.963 13.655 572 1HG GLU 74 1HG GLU 74 8.038 5.080 14.090 573 2HG GLU 74 2HG GLU 74 7.267 3.540 14.464 574 H ARG 75 H ARG 75 7.015 1.632 12.998 575 HA ARG 75 HA ARG 75 6.611 -0.247 14.215 576 1HB ARG 75 1HB ARG 75 5.165 1.020 15.729 577 2HB ARG 75 2HB ARG 75 3.824 0.870 14.604 578 1HG ARG 75 1HG ARG 75 4.017 -1.630 14.898 579 2HG ARG 75 2HG ARG 75 5.119 -1.292 16.236 580 1HD ARG 75 1HD ARG 75 2.258 -0.368 15.987 581 2HD ARG 75 2HD ARG 75 2.855 -1.634 17.056 582 HE ARG 75 HE ARG 75 4.209 0.219 18.119 583 1HH1 ARG 75 1HH1 ARG 75 1.156 0.817 16.513 584 2HH1 ARG 75 2HH1 ARG 75 0.771 2.215 17.474 585 1HH2 ARG 75 1HH2 ARG 75 3.698 2.052 19.398 586 2HH2 ARG 75 2HH2 ARG 75 2.214 2.911 19.113 587 H GLN 76 H GLN 76 6.638 -2.019 13.083 588 HA GLN 76 HA GLN 76 5.240 -2.343 10.638 589 1HB GLN 76 1HB GLN 76 7.399 -3.401 11.041 590 2HB GLN 76 2HB GLN 76 6.714 -4.345 12.355 591 1HG GLN 76 1HG GLN 76 5.188 -5.402 10.671 592 2HG GLN 76 2HG GLN 76 6.130 -4.593 9.419 593 1HE2 GLN 76 2HE2 GLN 76 7.509 -5.814 12.385 594 2HE2 GLN 76 1HE2 GLN 76 8.415 -7.101 11.659 595 H GLN 77 H GLN 77 3.154 -2.802 10.420 596 HA GLN 77 HA GLN 77 1.895 -4.578 12.397 597 1HB GLN 77 1HB GLN 77 0.799 -2.031 11.215 598 2HB GLN 77 2HB GLN 77 -0.215 -3.226 12.011 599 1HG GLN 77 1HG GLN 77 2.122 -1.849 13.314 600 2HG GLN 77 2HG GLN 77 0.445 -1.320 13.454 601 1HE2 GLN 77 2HE2 GLN 77 2.753 -3.794 14.290 602 2HE2 GLN 77 1HE2 GLN 77 1.805 -4.524 15.542 603 H PHE 78 H PHE 78 0.762 -6.222 11.601 604 HA PHE 78 HA PHE 78 0.326 -6.326 8.696 605 1HB PHE 78 1HB PHE 78 0.439 -8.529 10.773 606 2HB PHE 78 2HB PHE 78 0.007 -8.790 9.088 607 HD1 PHE 78 HD1 PHE 78 2.715 -8.071 11.426 608 HD2 PHE 78 HD2 PHE 78 1.676 -8.652 7.342 609 HE1 PHE 78 HE1 PHE 78 5.092 -8.360 10.866 610 HE2 PHE 78 HE2 PHE 78 4.052 -8.939 6.774 611 HZ PHE 78 HZ PHE 78 5.763 -8.794 8.537 612 HA PRO 79 HA PRO 79 -4.071 -5.957 9.249 613 1HB PRO 79 1HB PRO 79 -4.295 -7.945 7.066 614 2HB PRO 79 2HB PRO 79 -4.941 -6.303 7.161 615 1HG PRO 79 1HG PRO 79 -2.861 -6.881 5.586 616 2HG PRO 79 2HG PRO 79 -2.951 -5.342 6.467 617 1HD PRO 79 1HD PRO 79 -1.357 -7.798 7.090 618 2HD PRO 79 2HD PRO 79 -0.894 -6.089 7.230 619 H SER 80 H SER 80 -5.927 -7.235 9.841 620 HA SER 80 HA SER 80 -5.247 -9.428 11.516 621 1HB SER 80 1HB SER 80 -7.806 -9.522 11.771 622 2HB SER 80 2HB SER 80 -6.995 -8.042 12.288 623 HG SER 80 HG SER 80 -8.924 -7.804 10.911 624 H THR 81 H THR 81 -6.491 -11.517 11.429 625 HA THR 81 HA THR 81 -5.882 -12.928 9.092 626 HB THR 81 HB THR 81 -7.965 -13.760 11.120 627 HG1 THR 81 HG1 THR 81 -6.064 -13.126 12.219 628 1HG2 THR 81 1HG2 THR 81 -6.041 -15.346 9.410 629 2HG2 THR 81 2HG2 THR 81 -7.147 -16.024 10.604 630 3HG2 THR 81 3HG2 THR 81 -7.783 -15.220 9.170 631 H ASP 82 H ASP 82 -8.712 -11.164 10.037 632 HA ASP 82 HA ASP 82 -10.649 -12.175 8.303 633 1HB ASP 82 1HB ASP 82 -10.299 -9.270 9.093 634 2HB ASP 82 2HB ASP 82 -11.793 -10.057 8.599 635 H VAL 83 H VAL 83 -8.182 -9.694 7.813 636 HA VAL 83 HA VAL 83 -9.002 -9.216 5.076 637 HB VAL 83 HB VAL 83 -6.583 -8.144 6.540 638 1HG1 VAL 83 1HG1 VAL 83 -7.989 -7.187 4.049 639 2HG1 VAL 83 2HG1 VAL 83 -6.651 -6.364 4.852 640 3HG1 VAL 83 3HG1 VAL 83 -6.401 -7.951 4.126 641 1HG2 VAL 83 1HG2 VAL 83 -7.915 -6.136 6.953 642 2HG2 VAL 83 2HG2 VAL 83 -9.321 -6.918 6.231 643 3HG2 VAL 83 3HG2 VAL 83 -8.629 -7.554 7.723 644 H LEU 84 H LEU 84 -6.377 -10.793 6.819 645 HA LEU 84 HA LEU 84 -4.612 -11.256 4.719 646 1HB LEU 84 1HB LEU 84 -5.176 -12.955 7.147 647 2HB LEU 84 2HB LEU 84 -3.814 -13.198 6.071 648 HG LEU 84 HG LEU 84 -4.309 -10.741 7.752 649 1HD1 LEU 84 1HD1 LEU 84 -3.657 -12.667 9.083 650 2HD1 LEU 84 2HD1 LEU 84 -2.288 -12.963 8.010 651 3HD1 LEU 84 3HD1 LEU 84 -2.337 -11.500 8.995 652 1HD2 LEU 84 1HD2 LEU 84 -1.983 -11.460 5.970 653 2HD2 LEU 84 2HD2 LEU 84 -3.185 -10.211 5.643 654 3HD2 LEU 84 3HD2 LEU 84 -2.088 -10.044 7.015 655 H ALA 85 H ALA 85 -7.462 -13.072 5.703 656 HA ALA 85 HA ALA 85 -7.088 -15.366 4.162 657 1HB ALA 85 1HB ALA 85 -9.500 -15.699 4.358 658 2HB ALA 85 2HB ALA 85 -8.800 -15.182 5.892 659 3HB ALA 85 3HB ALA 85 -9.690 -14.030 4.896 660 H ALA 86 H ALA 86 -8.371 -12.214 3.278 661 HA ALA 86 HA ALA 86 -9.341 -13.102 0.719 662 1HB ALA 86 1HB ALA 86 -9.015 -10.309 1.804 663 2HB ALA 86 2HB ALA 86 -9.902 -10.759 0.347 664 3HB ALA 86 3HB ALA 86 -10.465 -11.303 1.927 665 H CYS 87 H CYS 87 -6.346 -12.045 1.966 666 HA CYS 87 HA CYS 87 -5.351 -11.156 -0.624 667 1HB CYS 87 1HB CYS 87 -4.739 -10.007 1.540 668 2HB CYS 87 2HB CYS 87 -3.827 -11.449 1.973 669 HG CYS 87 HG CYS 87 -1.919 -11.196 0.019 670 H LEU 88 H LEU 88 -5.035 -13.837 1.628 671 HA LEU 88 HA LEU 88 -2.890 -15.087 0.188 672 1HB LEU 88 1HB LEU 88 -4.683 -16.185 2.350 673 2HB LEU 88 2HB LEU 88 -3.234 -16.961 1.743 674 HG LEU 88 HG LEU 88 -3.320 -14.312 3.192 675 1HD1 LEU 88 1HD1 LEU 88 -2.342 -17.018 4.096 676 2HD1 LEU 88 2HD1 LEU 88 -2.245 -15.514 5.014 677 3HD1 LEU 88 3HD1 LEU 88 -3.817 -16.218 4.644 678 1HD2 LEU 88 1HD2 LEU 88 -0.882 -14.500 3.216 679 2HD2 LEU 88 2HD2 LEU 88 -0.982 -15.963 2.237 680 3HD2 LEU 88 3HD2 LEU 88 -1.504 -14.416 1.568 681 H THR 89 H THR 89 -6.373 -15.276 0.122 682 HA THR 89 HA THR 89 -6.669 -17.779 -1.110 683 HB THR 89 HB THR 89 -8.796 -16.556 -2.106 684 HG1 THR 89 HG1 THR 89 -8.552 -14.931 0.143 685 1HG2 THR 89 1HG2 THR 89 -8.423 -17.102 0.840 686 2HG2 THR 89 2HG2 THR 89 -9.968 -17.010 -0.007 687 3HG2 THR 89 3HG2 THR 89 -8.828 -18.300 -0.390 688 H ARG 90 H ARG 90 -6.247 -14.549 -2.529 689 HA ARG 90 HA ARG 90 -6.187 -15.720 -5.193 690 1HB ARG 90 1HB ARG 90 -5.843 -12.827 -4.372 691 2HB ARG 90 2HB ARG 90 -6.046 -13.425 -6.015 692 1HG ARG 90 1HG ARG 90 -8.273 -14.388 -5.166 693 2HG ARG 90 2HG ARG 90 -8.054 -13.296 -3.798 694 1HD ARG 90 1HD ARG 90 -9.412 -12.189 -5.430 695 2HD ARG 90 2HD ARG 90 -7.825 -11.417 -5.419 696 HE ARG 90 HE ARG 90 -7.699 -13.369 -7.370 697 1HH1 ARG 90 1HH1 ARG 90 -9.650 -10.510 -6.781 698 2HH1 ARG 90 2HH1 ARG 90 -9.917 -10.192 -8.466 699 1HH2 ARG 90 1HH2 ARG 90 -8.070 -12.978 -9.568 700 2HH2 ARG 90 2HH2 ARG 90 -9.015 -11.607 -10.068 701 H GLY 91 H GLY 91 -4.039 -14.940 -2.704 702 1HA GLY 91 1HA GLY 91 -1.777 -15.369 -2.567 703 2HA GLY 91 2HA GLY 91 -1.805 -15.844 -4.259 704 H ILE 92 H ILE 92 -2.565 -12.797 -2.592 705 HA ILE 92 HA ILE 92 -0.983 -11.379 -4.590 706 HB ILE 92 HB ILE 92 -2.616 -10.200 -2.336 707 1HG1 ILE 92 1HG1 ILE 92 -4.055 -11.560 -3.795 708 2HG1 ILE 92 2HG1 ILE 92 -4.393 -9.845 -3.993 709 1HG2 ILE 92 1HG2 ILE 92 -2.582 -8.177 -3.723 710 2HG2 ILE 92 2HG2 ILE 92 -0.958 -8.689 -3.267 711 3HG2 ILE 92 3HG2 ILE 92 -1.557 -9.007 -4.895 712 1HD1 ILE 92 1HD1 ILE 92 -3.077 -9.834 -6.055 713 2HD1 ILE 92 2HD1 ILE 92 -2.766 -11.558 -5.858 714 3HD1 ILE 92 3HD1 ILE 92 -4.412 -10.984 -6.127 715 H GLY 93 H GLY 93 0.953 -10.460 -4.185 716 1HA GLY 93 1HA GLY 93 2.338 -11.137 -1.775 717 2HA GLY 93 2HA GLY 93 2.970 -10.176 -3.106 718 H LEU 94 H LEU 94 2.188 -10.082 0.075 719 HA LEU 94 HA LEU 94 1.566 -7.205 0.019 720 1HB LEU 94 1HB LEU 94 -0.205 -8.525 1.034 721 2HB LEU 94 2HB LEU 94 0.943 -9.283 2.120 722 HG LEU 94 HG LEU 94 1.351 -7.070 3.175 723 1HD1 LEU 94 1HD1 LEU 94 -0.948 -6.180 1.441 724 2HD1 LEU 94 2HD1 LEU 94 -0.196 -5.241 2.731 725 3HD1 LEU 94 3HD1 LEU 94 0.730 -5.654 1.287 726 1HD2 LEU 94 1HD2 LEU 94 -0.787 -6.980 4.371 727 2HD2 LEU 94 2HD2 LEU 94 -1.514 -8.009 3.136 728 3HD2 LEU 94 3HD2 LEU 94 -0.222 -8.637 4.160 729 H GLU 95 H GLU 95 3.409 -6.128 0.259 730 HA GLU 95 HA GLU 95 5.441 -7.079 2.141 731 1HB GLU 95 1HB GLU 95 5.451 -4.743 0.213 732 2HB GLU 95 2HB GLU 95 6.800 -5.205 1.236 733 1HG GLU 95 1HG GLU 95 5.596 -6.963 -0.887 734 2HG GLU 95 2HG GLU 95 7.014 -5.939 -1.117 735 H ALA 96 H ALA 96 4.909 -6.558 4.204 736 HA ALA 96 HA ALA 96 3.629 -3.977 4.726 737 1HB ALA 96 1HB ALA 96 2.570 -5.972 5.674 738 2HB ALA 96 2HB ALA 96 4.043 -6.319 6.578 739 3HB ALA 96 3HB ALA 96 3.115 -4.862 6.932 740 H MET 97 H MET 97 4.916 -2.334 5.157 741 HA MET 97 HA MET 97 7.134 -2.699 7.023 742 1HB MET 97 1HB MET 97 7.402 -1.451 4.281 743 2HB MET 97 2HB MET 97 8.584 -1.237 5.562 744 1HG MET 97 1HG MET 97 8.962 -3.662 5.601 745 2HG MET 97 2HG MET 97 7.804 -3.848 4.283 746 1HE MET 97 1HE MET 97 8.179 -2.879 1.840 747 2HE MET 97 2HE MET 97 9.600 -1.951 1.361 748 3HE MET 97 3HE MET 97 8.449 -1.270 2.511 749 H THR 98 H THR 98 8.161 -0.200 7.058 750 HA THR 98 HA THR 98 5.908 1.377 8.033 751 HB THR 98 HB THR 98 7.770 2.818 8.994 752 HG1 THR 98 HG1 THR 98 9.840 1.960 8.968 753 1HG2 THR 98 1HG2 THR 98 6.557 1.188 10.352 754 2HG2 THR 98 2HG2 THR 98 7.649 -0.088 9.813 755 3HG2 THR 98 3HG2 THR 98 8.259 1.233 10.808 756 H ASN 99 H ASN 99 6.178 3.822 7.709 757 HA ASN 99 HA ASN 99 5.897 4.430 5.003 758 1HB ASN 99 1HB ASN 99 4.875 5.877 6.581 759 2HB ASN 99 2HB ASN 99 6.394 6.157 7.422 760 1HD2 ASN 99 2HD2 ASN 99 4.539 6.887 4.543 761 2HD2 ASN 99 1HD2 ASN 99 5.427 8.304 4.109 762 H ALA 100 H ALA 100 8.700 4.810 7.129 763 HA ALA 100 HA ALA 100 10.333 6.245 5.361 764 1HB ALA 100 1HB ALA 100 11.180 4.308 7.514 765 2HB ALA 100 2HB ALA 100 12.188 5.554 6.776 766 3HB ALA 100 3HB ALA 100 10.794 6.013 7.756 767 H ALA 101 H ALA 101 9.845 2.770 5.750 768 HA ALA 101 HA ALA 101 11.926 2.122 3.852 769 1HB ALA 101 1HB ALA 101 9.884 0.361 5.202 770 2HB ALA 101 2HB ALA 101 11.249 -0.203 4.234 771 3HB ALA 101 3HB ALA 101 11.535 0.653 5.749 772 H ALA 102 H ALA 102 8.415 2.262 3.930 773 HA ALA 102 HA ALA 102 7.839 0.909 1.563 774 1HB ALA 102 1HB ALA 102 6.325 3.218 2.776 775 2HB ALA 102 2HB ALA 102 5.696 2.052 1.612 776 3HB ALA 102 3HB ALA 102 6.153 1.523 3.231 777 H ALA 103 H ALA 103 8.543 4.343 2.095 778 HA ALA 103 HA ALA 103 8.012 5.201 -0.532 779 1HB ALA 103 1HB ALA 103 9.260 7.209 0.054 780 2HB ALA 103 2HB ALA 103 8.182 6.735 1.366 781 3HB ALA 103 3HB ALA 103 9.910 6.401 1.481 782 H ARG 104 H ARG 104 10.861 3.814 0.954 783 HA ARG 104 HA ARG 104 12.664 4.479 -1.159 784 1HB ARG 104 1HB ARG 104 13.086 3.790 1.359 785 2HB ARG 104 2HB ARG 104 13.129 2.168 0.689 786 1HG ARG 104 1HG ARG 104 14.874 4.419 -0.283 787 2HG ARG 104 2HG ARG 104 15.350 3.276 0.970 788 1HD ARG 104 1HD ARG 104 15.079 1.430 -0.617 789 2HD ARG 104 2HD ARG 104 14.609 2.579 -1.870 790 HE ARG 104 HE ARG 104 17.106 3.337 -0.828 791 1HH1 ARG 104 1HH1 ARG 104 15.689 0.799 -2.776 792 2HH1 ARG 104 2HH1 ARG 104 17.149 0.483 -3.659 793 1HH2 ARG 104 1HH2 ARG 104 19.017 2.946 -1.982 794 2HH2 ARG 104 2HH2 ARG 104 19.044 1.713 -3.209 795 H THR 105 H THR 105 10.938 1.512 -0.221 796 HA THR 105 HA THR 105 11.933 -0.040 -2.377 797 HB THR 105 HB THR 105 9.406 -0.510 -0.786 798 HG1 THR 105 HG1 THR 105 11.542 -1.971 -0.015 799 1HG2 THR 105 1HG2 THR 105 11.221 -2.434 -2.251 800 2HG2 THR 105 2HG2 THR 105 9.785 -2.863 -1.323 801 3HG2 THR 105 3HG2 THR 105 9.627 -1.912 -2.799 802 H TYR 106 H TYR 106 9.032 1.929 -1.942 803 HA TYR 106 HA TYR 106 7.618 1.097 -4.211 804 1HB TYR 106 1HB TYR 106 6.521 2.450 -2.546 805 2HB TYR 106 2HB TYR 106 7.649 3.775 -2.812 806 HD1 TYR 106 HD1 TYR 106 7.125 5.464 -4.334 807 HD2 TYR 106 HD2 TYR 106 5.035 1.765 -4.552 808 HE1 TYR 106 HE1 TYR 106 5.626 6.418 -6.032 809 HE2 TYR 106 HE2 TYR 106 3.528 2.711 -6.251 810 HH TYR 106 HH TYR 106 4.166 5.616 -7.867 811 H ASN 107 H ASN 107 10.057 3.631 -3.821 812 HA ASN 107 HA ASN 107 9.908 4.768 -6.356 813 1HB ASN 107 1HB ASN 107 11.216 5.752 -4.527 814 2HB ASN 107 2HB ASN 107 12.352 4.411 -4.602 815 1HD2 ASN 107 2HD2 ASN 107 11.245 7.329 -6.129 816 2HD2 ASN 107 1HD2 ASN 107 12.572 7.485 -7.229 817 H VAL 108 H VAL 108 11.684 1.936 -5.238 818 HA VAL 108 HA VAL 108 13.067 1.433 -7.664 819 HB VAL 108 HB VAL 108 12.300 -0.531 -5.491 820 1HG1 VAL 108 1HG1 VAL 108 14.448 -0.698 -7.606 821 2HG1 VAL 108 2HG1 VAL 108 14.162 -1.874 -6.323 822 3HG1 VAL 108 3HG1 VAL 108 12.949 -1.627 -7.579 823 1HG2 VAL 108 1HG2 VAL 108 14.796 1.127 -5.831 824 2HG2 VAL 108 2HG2 VAL 108 13.574 1.317 -4.575 825 3HG2 VAL 108 3HG2 VAL 108 14.568 -0.139 -4.626 826 H LEU 109 H LEU 109 10.138 -0.009 -6.245 827 HA LEU 109 HA LEU 109 9.582 -1.759 -8.371 828 1HB LEU 109 1HB LEU 109 7.682 -0.518 -6.382 829 2HB LEU 109 2HB LEU 109 7.315 -1.891 -7.409 830 HG LEU 109 HG LEU 109 9.422 -1.830 -5.246 831 1HD1 LEU 109 1HD1 LEU 109 7.164 -1.819 -4.343 832 2HD1 LEU 109 2HD1 LEU 109 6.745 -3.207 -5.345 833 3HD1 LEU 109 3HD1 LEU 109 7.947 -3.375 -4.066 834 1HD2 LEU 109 1HD2 LEU 109 9.630 -4.228 -5.664 835 2HD2 LEU 109 2HD2 LEU 109 8.483 -4.102 -6.998 836 3HD2 LEU 109 3HD2 LEU 109 10.048 -3.293 -7.100 837 H ALA 110 H ALA 110 8.682 1.594 -7.807 838 HA ALA 110 HA ALA 110 6.799 1.795 -9.910 839 1HB ALA 110 1HB ALA 110 6.911 3.413 -8.074 840 2HB ALA 110 2HB ALA 110 8.472 3.978 -8.672 841 3HB ALA 110 3HB ALA 110 7.019 4.203 -9.647 842 H SER 111 H SER 111 10.299 2.334 -9.761 843 HA SER 111 HA SER 111 10.456 3.372 -12.411 844 1HB SER 111 1HB SER 111 12.938 2.983 -12.117 845 2HB SER 111 2HB SER 111 12.182 4.018 -10.908 846 HG SER 111 HG SER 111 12.083 1.442 -10.108 847 H GLU 112 H GLU 112 10.083 0.221 -11.205 848 HA GLU 112 HA GLU 112 11.237 -1.124 -13.466 849 1HB GLU 112 1HB GLU 112 9.553 -1.963 -11.126 850 2HB GLU 112 2HB GLU 112 9.864 -3.059 -12.455 851 1HG GLU 112 1HG GLU 112 11.965 -1.748 -10.752 852 2HG GLU 112 2HG GLU 112 11.391 -3.407 -10.580 853 H GLY 113 H GLY 113 8.478 0.692 -12.977 854 1HA GLY 113 1HA GLY 113 6.511 0.953 -14.137 855 2HA GLY 113 2HA GLY 113 7.286 0.067 -15.446 856 H ARG 114 H ARG 114 6.445 -0.903 -12.156 857 HA ARG 114 HA ARG 114 5.001 -3.201 -13.299 858 1HB ARG 114 1HB ARG 114 7.242 -3.637 -12.201 859 2HB ARG 114 2HB ARG 114 6.518 -3.122 -10.688 860 1HG ARG 114 1HG ARG 114 5.052 -4.975 -10.653 861 2HG ARG 114 2HG ARG 114 5.434 -5.394 -12.326 862 1HD ARG 114 1HD ARG 114 7.751 -5.863 -11.666 863 2HD ARG 114 2HD ARG 114 7.347 -5.476 -9.995 864 HE ARG 114 HE ARG 114 6.191 -7.491 -9.817 865 1HH1 ARG 114 1HH1 ARG 114 7.414 -7.032 -13.076 866 2HH1 ARG 114 2HH1 ARG 114 7.179 -8.695 -13.533 867 1HH2 ARG 114 1HH2 ARG 114 5.913 -9.659 -10.398 868 2HH2 ARG 114 2HH2 ARG 114 6.310 -10.193 -12.007 869 H ARG 115 H ARG 115 3.087 -3.845 -12.274 870 HA ARG 115 HA ARG 115 1.602 -1.773 -11.061 871 1HB ARG 115 1HB ARG 115 1.060 -4.676 -11.569 872 2HB ARG 115 2HB ARG 115 -0.059 -3.715 -10.614 873 1HG ARG 115 1HG ARG 115 -0.349 -2.175 -12.484 874 2HG ARG 115 2HG ARG 115 0.791 -3.121 -13.441 875 1HD ARG 115 1HD ARG 115 -0.664 -4.993 -13.482 876 2HD ARG 115 2HD ARG 115 -1.717 -4.286 -12.260 877 HE ARG 115 HE ARG 115 -1.999 -2.489 -14.155 878 1HH1 ARG 115 1HH1 ARG 115 -1.780 -5.968 -14.522 879 2HH1 ARG 115 2HH1 ARG 115 -2.887 -6.026 -15.859 880 1HH2 ARG 115 1HH2 ARG 115 -3.441 -2.563 -15.936 881 2HH2 ARG 115 2HH2 ARG 115 -3.811 -4.091 -16.679 882 H VAL 116 H VAL 116 2.408 -1.060 -9.196 883 HA VAL 116 HA VAL 116 2.356 -2.928 -6.926 884 HB VAL 116 HB VAL 116 4.640 -2.191 -7.294 885 1HG1 VAL 116 1HG1 VAL 116 4.199 -0.137 -8.525 886 2HG1 VAL 116 2HG1 VAL 116 3.591 0.627 -7.057 887 3HG1 VAL 116 3HG1 VAL 116 5.290 0.162 -7.173 888 1HG2 VAL 116 1HG2 VAL 116 3.951 -2.484 -4.988 889 2HG2 VAL 116 2HG2 VAL 116 5.115 -1.165 -5.112 890 3HG2 VAL 116 3HG2 VAL 116 3.398 -0.810 -4.916 891 H ALA 117 H ALA 117 1.116 -2.385 -5.222 892 HA ALA 117 HA ALA 117 -0.378 0.141 -5.414 893 1HB ALA 117 1HB ALA 117 -1.759 -1.875 -5.441 894 2HB ALA 117 2HB ALA 117 -1.065 -2.380 -3.902 895 3HB ALA 117 3HB ALA 117 -2.057 -0.924 -3.988 896 H LEU 118 H LEU 118 0.684 1.660 -4.262 897 HA LEU 118 HA LEU 118 1.991 0.934 -1.773 898 1HB LEU 118 1HB LEU 118 3.094 2.496 -3.310 899 2HB LEU 118 2HB LEU 118 1.744 3.605 -3.158 900 HG LEU 118 HG LEU 118 2.269 3.854 -0.740 901 1HD1 LEU 118 1HD1 LEU 118 4.724 2.248 -1.438 902 2HD1 LEU 118 2HD1 LEU 118 4.419 3.066 0.094 903 3HD1 LEU 118 3HD1 LEU 118 3.397 1.716 -0.403 904 1HD2 LEU 118 1HD2 LEU 118 3.081 5.481 -2.354 905 2HD2 LEU 118 2HD2 LEU 118 4.262 5.242 -1.067 906 3HD2 LEU 118 3HD2 LEU 118 4.515 4.498 -2.645 907 H ALA 119 H ALA 119 0.554 0.546 -0.204 908 HA ALA 119 HA ALA 119 -1.681 2.380 0.202 909 1HB ALA 119 1HB ALA 119 -2.109 -0.035 0.323 910 2HB ALA 119 2HB ALA 119 -0.980 -0.162 1.672 911 3HB ALA 119 3HB ALA 119 -2.466 0.772 1.850 912 H MET 120 H MET 120 -0.816 4.222 1.011 913 HA MET 120 HA MET 120 1.080 4.077 3.215 914 1HB MET 120 1HB MET 120 0.109 6.271 1.425 915 2HB MET 120 2HB MET 120 0.871 6.672 2.957 916 1HG MET 120 1HG MET 120 2.143 4.957 0.843 917 2HG MET 120 2HG MET 120 2.394 6.694 0.997 918 1HE MET 120 1HE MET 120 5.807 5.303 2.273 919 2HE MET 120 2HE MET 120 5.004 6.416 1.164 920 3HE MET 120 3HE MET 120 4.822 4.674 0.952 921 H ILE 121 H ILE 121 0.164 3.659 5.103 922 HA ILE 121 HA ILE 121 -2.137 5.304 5.922 923 HB ILE 121 HB ILE 121 -1.016 2.830 7.266 924 1HG1 ILE 121 1HG1 ILE 121 -3.545 3.146 5.631 925 2HG1 ILE 121 2HG1 ILE 121 -2.090 2.311 5.098 926 1HG2 ILE 121 1HG2 ILE 121 -3.054 2.914 8.625 927 2HG2 ILE 121 2HG2 ILE 121 -2.071 4.363 8.830 928 3HG2 ILE 121 3HG2 ILE 121 -3.521 4.415 7.825 929 1HD1 ILE 121 1HD1 ILE 121 -3.789 0.740 5.835 930 2HD1 ILE 121 2HD1 ILE 121 -2.377 0.672 6.888 931 3HD1 ILE 121 3HD1 ILE 121 -3.834 1.510 7.420 932 H VAL 122 H VAL 122 -1.092 7.189 6.494 933 HA VAL 122 HA VAL 122 0.886 6.930 8.656 934 HB VAL 122 HB VAL 122 2.015 8.975 7.818 935 1HG1 VAL 122 1HG1 VAL 122 1.918 6.689 5.855 936 2HG1 VAL 122 2HG1 VAL 122 3.201 7.892 5.974 937 3HG1 VAL 122 3HG1 VAL 122 2.918 6.772 7.306 938 1HG2 VAL 122 1HG2 VAL 122 1.617 9.687 5.494 939 2HG2 VAL 122 2HG2 VAL 122 0.237 8.592 5.413 940 3HG2 VAL 122 3HG2 VAL 122 0.214 9.956 6.530 941 H GLY 123 H GLY 123 1.209 9.336 9.573 942 1HA GLY 123 1HA GLY 123 0.130 11.291 10.365 943 2HA GLY 123 2HA GLY 123 -1.417 10.575 9.940 944 H GLY 124 H GLY 124 -2.500 9.365 11.407 945 1HA GLY 124 1HA GLY 124 -2.953 8.296 13.412 946 2HA GLY 124 2HA GLY 124 -1.247 8.412 13.822 947 H LEU 125 H LEU 125 -0.626 10.918 13.952 948 HA LEU 125 HA LEU 125 -0.721 12.875 15.082 949 1HB LEU 125 1HB LEU 125 -3.694 12.362 15.146 950 2HB LEU 125 2HB LEU 125 -2.932 13.844 15.686 951 HG LEU 125 HG LEU 125 -2.852 12.773 12.864 952 1HD1 LEU 125 1HD1 LEU 125 -4.393 15.082 14.042 953 2HD1 LEU 125 2HD1 LEU 125 -4.338 14.629 12.338 954 3HD1 LEU 125 3HD1 LEU 125 -5.077 13.543 13.516 955 1HD2 LEU 125 1HD2 LEU 125 -1.887 14.955 12.313 956 2HD2 LEU 125 2HD2 LEU 125 -1.860 15.373 14.026 957 3HD2 LEU 125 3HD2 LEU 125 -0.858 14.053 13.425 958 H GLU 126 H GLU 126 -0.418 13.534 17.149 959 HA GLU 126 HA GLU 126 -0.355 11.557 19.172 960 1HB GLU 126 1HB GLU 126 0.639 14.203 18.785 961 2HB GLU 126 2HB GLU 126 -0.197 14.153 20.332 962 1HG GLU 126 1HG GLU 126 2.056 12.368 19.444 963 2HG GLU 126 2HG GLU 126 2.129 13.652 20.652 964 H HIS 127 H HIS 127 -1.510 11.492 21.163 965 HA HIS 127 HA HIS 127 -4.112 12.850 21.115 966 1HB HIS 127 1HB HIS 127 -4.335 10.578 20.107 967 2HB HIS 127 2HB HIS 127 -3.777 9.886 21.625 968 HD1 HIS 127 HD1 HIS 127 -5.625 9.087 23.050 969 HD2 HIS 127 HD2 HIS 127 -6.781 12.303 20.671 970 HE1 HIS 127 HE1 HIS 127 -8.052 9.491 23.580 971 HE2 HIS 127 HE2 HIS 127 -8.699 11.511 22.217 972 H HIS 128 H HIS 128 -1.363 12.243 22.825 973 HA HIS 128 HA HIS 128 -2.429 11.735 25.423 974 1HB HIS 128 1HB HIS 128 0.230 12.837 24.508 975 2HB HIS 128 2HB HIS 128 -0.166 12.592 26.207 976 HD1 HIS 128 HD1 HIS 128 0.966 10.831 23.180 977 HD2 HIS 128 HD2 HIS 128 -0.542 9.837 26.925 978 HE1 HIS 128 HE1 HIS 128 1.461 8.385 23.485 979 HE2 HIS 128 HE2 HIS 128 0.285 7.761 25.624 980 H HIS 129 H HIS 129 -2.613 13.209 27.189 981 HA HIS 129 HA HIS 129 -3.825 15.650 26.222 982 1HB HIS 129 1HB HIS 129 -4.640 15.887 28.605 983 2HB HIS 129 2HB HIS 129 -5.225 14.491 27.714 984 HD1 HIS 129 HD1 HIS 129 -4.709 12.198 28.659 985 HD2 HIS 129 HD2 HIS 129 -2.799 15.276 30.700 986 HE1 HIS 129 HE1 HIS 129 -3.771 11.154 30.737 987 HE2 HIS 129 HE2 HIS 129 -2.852 13.083 32.066 988 H HIS 130 H HIS 130 -2.037 16.837 25.647 989 HA HIS 130 HA HIS 130 -0.870 18.230 27.967 990 1HB HIS 130 1HB HIS 130 0.903 17.106 26.678 991 2HB HIS 130 2HB HIS 130 0.346 17.891 25.206 992 HD1 HIS 130 HD1 HIS 130 1.818 18.829 28.590 993 HD2 HIS 130 HD2 HIS 130 1.534 20.291 24.703 994 HE1 HIS 130 HE1 HIS 130 3.231 20.906 28.536 995 HE2 HIS 130 HE2 HIS 130 2.856 21.891 26.250 996 H HIS 131 H HIS 131 -1.079 20.468 27.967 997 HA HIS 131 HA HIS 131 -3.329 21.479 26.637 998 1HB HIS 131 1HB HIS 131 -1.102 22.863 28.117 999 2HB HIS 131 2HB HIS 131 -2.468 23.738 27.434 1000 HD1 HIS 131 HD1 HIS 131 -1.402 22.065 30.444 1001 HD2 HIS 131 HD2 HIS 131 -5.036 22.753 28.549 1002 HE1 HIS 131 HE1 HIS 131 -3.159 21.747 32.216 1003 HE2 HIS 131 HE2 HIS 131 -5.346 22.267 31.072 1004 H HIS 132 H HIS 132 -3.537 21.866 24.571 1005 HA HIS 132 HA HIS 132 -1.260 22.978 23.076 1006 1HB HIS 132 1HB HIS 132 -3.650 21.360 22.215 1007 2HB HIS 132 2HB HIS 132 -2.760 22.340 21.057 1008 HD1 HIS 132 HD1 HIS 132 -2.265 19.997 19.884 1009 HD2 HIS 132 HD2 HIS 132 -0.474 20.591 23.595 1010 HE1 HIS 132 HE1 HIS 132 -0.453 18.257 20.056 1011 HE2 HIS 132 HE2 HIS 132 0.746 18.770 22.213 Start of MODEL 16 1 1H MET 1 1HT MET 1 16.939 25.399 -29.305 2 2H MET 1 2HT MET 1 17.055 23.837 -28.658 3 3H MET 1 3HT MET 1 18.226 24.999 -28.281 4 HA MET 1 HA MET 1 16.683 26.310 -27.082 5 1HB MET 1 1HB MET 1 14.724 25.828 -28.490 6 2HB MET 1 2HB MET 1 14.635 24.208 -27.816 7 1HG MET 1 1HG MET 1 14.213 25.166 -25.599 8 2HG MET 1 2HG MET 1 14.264 26.783 -26.302 9 1HE MET 1 1HE MET 1 10.460 26.352 -25.531 10 2HE MET 1 2HE MET 1 11.890 27.364 -25.315 11 3HE MET 1 3HE MET 1 11.816 25.771 -24.564 12 HA PRO 2 HA PRO 2 16.697 22.784 -23.973 13 1HB PRO 2 1HB PRO 2 16.319 20.170 -24.986 14 2HB PRO 2 2HB PRO 2 15.122 21.170 -24.162 15 1HG PRO 2 1HG PRO 2 15.024 20.372 -26.838 16 2HG PRO 2 2HG PRO 2 14.065 21.667 -26.103 17 1HD PRO 2 1HD PRO 2 16.570 21.843 -27.724 18 2HD PRO 2 2HD PRO 2 15.168 22.938 -27.683 19 H LEU 3 H LEU 3 18.879 23.050 -23.662 20 HA LEU 3 HA LEU 3 20.742 21.433 -25.234 21 1HB LEU 3 1HB LEU 3 21.237 23.611 -23.201 22 2HB LEU 3 2HB LEU 3 22.491 22.773 -24.097 23 HG LEU 3 HG LEU 3 20.350 24.532 -25.296 24 1HD1 LEU 3 1HD1 LEU 3 23.313 24.973 -24.958 25 2HD1 LEU 3 2HD1 LEU 3 22.187 26.058 -25.775 26 3HD1 LEU 3 3HD1 LEU 3 22.039 25.776 -24.040 27 1HD2 LEU 3 1HD2 LEU 3 22.684 23.120 -26.584 28 2HD2 LEU 3 2HD2 LEU 3 20.981 22.717 -26.797 29 3HD2 LEU 3 3HD2 LEU 3 21.602 24.260 -27.381 30 H ASN 4 H ASN 4 18.907 20.758 -22.756 31 HA ASN 4 HA ASN 4 20.977 19.246 -21.311 32 1HB ASN 4 1HB ASN 4 18.486 20.427 -20.062 33 2HB ASN 4 2HB ASN 4 19.812 19.621 -19.229 34 1HD2 ASN 4 2HD2 ASN 4 21.785 20.714 -18.976 35 2HD2 ASN 4 1HD2 ASN 4 21.883 22.437 -19.138 36 H GLN 5 H GLN 5 19.918 17.411 -20.021 37 HA GLN 5 HA GLN 5 18.276 15.867 -21.804 38 1HB GLN 5 1HB GLN 5 19.481 15.334 -19.097 39 2HB GLN 5 2HB GLN 5 18.328 14.220 -19.811 40 1HG GLN 5 1HG GLN 5 20.658 13.542 -20.164 41 2HG GLN 5 2HG GLN 5 19.790 13.812 -21.672 42 1HE2 GLN 5 2HE2 GLN 5 22.209 15.084 -19.497 43 2HE2 GLN 5 1HE2 GLN 5 22.963 16.140 -20.645 44 H GLU 6 H GLU 6 16.497 17.397 -21.803 45 HA GLU 6 HA GLU 6 14.963 17.630 -19.357 46 1HB GLU 6 1HB GLU 6 14.545 18.782 -22.117 47 2HB GLU 6 2HB GLU 6 13.466 19.071 -20.757 48 1HG GLU 6 1HG GLU 6 16.358 19.871 -20.990 49 2HG GLU 6 2HG GLU 6 14.950 20.933 -20.965 50 H HIS 7 H HIS 7 12.975 16.810 -18.983 51 HA HIS 7 HA HIS 7 12.263 14.498 -20.640 52 1HB HIS 7 1HB HIS 7 11.540 15.271 -17.811 53 2HB HIS 7 2HB HIS 7 10.791 13.921 -18.654 54 HD1 HIS 7 HD1 HIS 7 11.868 11.743 -18.275 55 HD2 HIS 7 HD2 HIS 7 14.510 14.903 -17.680 56 HE1 HIS 7 HE1 HIS 7 14.015 10.696 -17.487 57 HE2 HIS 7 HE2 HIS 7 15.505 12.645 -16.894 58 HA PRO 8 HA PRO 8 8.815 16.903 -22.289 59 1HB PRO 8 1HB PRO 8 8.133 14.199 -23.303 60 2HB PRO 8 2HB PRO 8 8.275 15.725 -24.183 61 1HG PRO 8 1HG PRO 8 10.144 13.836 -24.412 62 2HG PRO 8 2HG PRO 8 10.577 15.556 -24.373 63 1HD PRO 8 1HD PRO 8 10.785 13.499 -22.210 64 2HD PRO 8 2HD PRO 8 11.903 14.815 -22.624 65 H ASP 9 H ASP 9 8.422 13.552 -21.134 66 HA ASP 9 HA ASP 9 5.971 14.330 -19.740 67 1HB ASP 9 1HB ASP 9 5.797 12.259 -20.962 68 2HB ASP 9 2HB ASP 9 7.261 11.635 -20.209 69 H TYR 10 H TYR 10 6.063 14.946 -17.708 70 HA TYR 10 HA TYR 10 8.469 14.486 -16.155 71 1HB TYR 10 1HB TYR 10 5.949 16.026 -15.490 72 2HB TYR 10 2HB TYR 10 7.395 15.969 -14.488 73 HD1 TYR 10 HD1 TYR 10 9.467 17.070 -15.239 74 HD2 TYR 10 HD2 TYR 10 5.845 17.423 -17.445 75 HE1 TYR 10 HE1 TYR 10 10.399 18.996 -16.448 76 HE2 TYR 10 HE2 TYR 10 6.767 19.351 -18.661 77 HH TYR 10 HH TYR 10 10.086 20.190 -18.540 78 H THR 11 H THR 11 8.657 12.634 -15.089 79 HA THR 11 HA THR 11 6.283 11.197 -14.244 80 HB THR 11 HB THR 11 8.161 9.973 -15.329 81 HG1 THR 11 HG1 THR 11 6.676 9.183 -13.421 82 1HG2 THR 11 1HG2 THR 11 10.031 11.225 -14.366 83 2HG2 THR 11 2HG2 THR 11 9.648 10.578 -12.771 84 3HG2 THR 11 3HG2 THR 11 10.191 9.497 -14.056 85 H TYR 12 H TYR 12 5.851 10.613 -12.104 86 HA TYR 12 HA TYR 12 7.371 11.960 -10.007 87 1HB TYR 12 1HB TYR 12 5.186 12.809 -9.025 88 2HB TYR 12 2HB TYR 12 5.743 13.635 -10.476 89 HD1 TYR 12 HD1 TYR 12 3.163 11.481 -9.045 90 HD2 TYR 12 HD2 TYR 12 4.576 13.325 -12.610 91 HE1 TYR 12 HE1 TYR 12 1.005 11.025 -10.133 92 HE2 TYR 12 HE2 TYR 12 2.423 12.877 -13.705 93 HH TYR 12 HH TYR 12 0.552 11.252 -13.468 94 H ALA 13 H ALA 13 7.489 10.797 -8.182 95 HA ALA 13 HA ALA 13 5.466 8.814 -7.562 96 1HB ALA 13 1HB ALA 13 8.359 8.015 -7.887 97 2HB ALA 13 2HB ALA 13 7.047 6.981 -7.323 98 3HB ALA 13 3HB ALA 13 7.046 7.581 -8.982 99 H LEU 14 H LEU 14 5.171 10.457 -5.920 100 HA LEU 14 HA LEU 14 5.206 11.050 -3.725 101 1HB LEU 14 1HB LEU 14 5.723 8.577 -3.446 102 2HB LEU 14 2HB LEU 14 7.412 9.028 -3.331 103 HG LEU 14 HG LEU 14 6.845 10.411 -1.332 104 1HD1 LEU 14 1HD1 LEU 14 4.703 10.045 -0.229 105 2HD1 LEU 14 2HD1 LEU 14 4.487 10.788 -1.813 106 3HD1 LEU 14 3HD1 LEU 14 4.163 9.067 -1.595 107 1HD2 LEU 14 1HD2 LEU 14 7.751 8.163 -1.101 108 2HD2 LEU 14 2HD2 LEU 14 6.599 8.519 0.185 109 3HD2 LEU 14 3HD2 LEU 14 6.121 7.492 -1.168 110 H ARG 15 H ARG 15 6.355 12.488 -2.335 111 HA ARG 15 HA ARG 15 8.736 13.671 -3.547 112 1HB ARG 15 1HB ARG 15 7.050 14.488 -1.175 113 2HB ARG 15 2HB ARG 15 8.508 15.335 -1.662 114 1HG ARG 15 1HG ARG 15 6.137 14.964 -3.465 115 2HG ARG 15 2HG ARG 15 6.349 16.358 -2.407 116 1HD ARG 15 1HD ARG 15 8.573 16.732 -3.547 117 2HD ARG 15 2HD ARG 15 8.082 15.508 -4.721 118 HE ARG 15 HE ARG 15 6.125 17.572 -4.372 119 1HH1 ARG 15 1HH1 ARG 15 9.152 16.862 -6.003 120 2HH1 ARG 15 2HH1 ARG 15 8.793 17.889 -7.364 121 1HH2 ARG 15 1HH2 ARG 15 5.680 18.936 -6.131 122 2HH2 ARG 15 2HH2 ARG 15 6.830 19.083 -7.425 123 H ALA 16 H ALA 16 7.732 12.560 -0.344 124 HA ALA 16 HA ALA 16 10.131 11.081 0.089 125 1HB ALA 16 1HB ALA 16 9.711 13.579 1.737 126 2HB ALA 16 2HB ALA 16 10.955 12.358 2.005 127 3HB ALA 16 3HB ALA 16 10.983 13.342 0.540 128 H ALA 17 H ALA 17 10.083 10.021 2.221 129 HA ALA 17 HA ALA 17 7.430 10.034 3.477 130 1HB ALA 17 1HB ALA 17 9.056 7.576 2.824 131 2HB ALA 17 2HB ALA 17 7.548 7.598 3.740 132 3HB ALA 17 3HB ALA 17 7.555 8.070 2.040 133 H ASP 18 H ASP 18 7.777 10.852 5.413 134 HA ASP 18 HA ASP 18 10.321 10.360 6.770 135 1HB ASP 18 1HB ASP 18 8.077 12.217 7.596 136 2HB ASP 18 2HB ASP 18 9.703 12.169 8.264 137 H GLY 19 H GLY 19 10.142 10.051 9.193 138 1HA GLY 19 1HA GLY 19 8.508 7.863 9.883 139 2HA GLY 19 2HA GLY 19 9.357 8.904 11.023 140 H ARG 20 H ARG 20 6.375 7.905 9.954 141 HA ARG 20 HA ARG 20 4.258 8.416 10.616 142 1HB ARG 20 1HB ARG 20 5.504 10.646 12.240 143 2HB ARG 20 2HB ARG 20 3.864 10.037 12.401 144 1HG ARG 20 1HG ARG 20 4.602 7.990 13.302 145 2HG ARG 20 2HG ARG 20 6.273 8.300 12.830 146 1HD ARG 20 1HD ARG 20 6.010 8.639 15.214 147 2HD ARG 20 2HD ARG 20 6.355 10.174 14.423 148 HE ARG 20 HE ARG 20 4.301 10.942 15.074 149 1HH1 ARG 20 1HH1 ARG 20 4.422 7.477 15.532 150 2HH1 ARG 20 2HH1 ARG 20 2.871 7.396 16.324 151 1HH2 ARG 20 1HH2 ARG 20 2.333 10.863 16.205 152 2HH2 ARG 20 2HH2 ARG 20 1.701 9.328 16.726 153 H HIS 21 H HIS 21 5.833 9.847 8.378 154 HA HIS 21 HA HIS 21 3.695 11.752 7.771 155 1HB HIS 21 1HB HIS 21 6.630 12.463 7.796 156 2HB HIS 21 2HB HIS 21 5.434 13.392 6.902 157 HD1 HIS 21 HD1 HIS 21 7.218 13.692 9.843 158 HD2 HIS 21 HD2 HIS 21 3.168 13.991 8.982 159 HE1 HIS 21 HE1 HIS 21 6.234 15.052 11.710 160 HE2 HIS 21 HE2 HIS 21 3.751 15.014 11.282 161 H ALA 22 H ALA 22 3.356 12.119 5.569 162 HA ALA 22 HA ALA 22 5.189 10.914 3.647 163 1HB ALA 22 1HB ALA 22 3.402 9.793 2.432 164 2HB ALA 22 2HB ALA 22 3.522 9.170 4.077 165 3HB ALA 22 3HB ALA 22 2.235 10.299 3.654 166 H LYS 23 H LYS 23 5.329 12.077 1.774 167 HA LYS 23 HA LYS 23 3.569 14.434 1.602 168 1HB LYS 23 1HB LYS 23 6.560 14.257 1.228 169 2HB LYS 23 2HB LYS 23 5.605 15.655 0.746 170 1HG LYS 23 1HG LYS 23 5.167 16.278 2.908 171 2HG LYS 23 2HG LYS 23 5.369 14.642 3.534 172 1HD LYS 23 1HD LYS 23 7.775 14.800 3.223 173 2HD LYS 23 2HD LYS 23 7.597 16.411 2.521 174 1HE LYS 23 1HE LYS 23 6.918 17.345 4.564 175 2HE LYS 23 2HE LYS 23 6.590 15.765 5.274 176 1HZ LYS 23 1HZ LYS 23 9.301 16.715 4.524 177 2HZ LYS 23 2HZ LYS 23 8.653 16.820 6.083 178 3HZ LYS 23 3HZ LYS 23 8.911 15.300 5.374 179 H VAL 24 H VAL 24 2.369 14.314 -0.159 180 HA VAL 24 HA VAL 24 3.573 13.203 -2.613 181 HB VAL 24 HB VAL 24 0.621 13.468 -2.019 182 1HG1 VAL 24 1HG1 VAL 24 2.116 11.983 -4.177 183 2HG1 VAL 24 2HG1 VAL 24 0.370 11.952 -3.932 184 3HG1 VAL 24 3HG1 VAL 24 1.171 13.457 -4.388 185 1HG2 VAL 24 1HG2 VAL 24 1.604 11.874 -0.466 186 2HG2 VAL 24 2HG2 VAL 24 0.621 11.037 -1.668 187 3HG2 VAL 24 3HG2 VAL 24 2.379 11.025 -1.804 188 H ASN 25 H ASN 25 4.171 14.713 -3.981 189 HA ASN 25 HA ASN 25 4.336 16.622 -5.177 190 1HB ASN 25 1HB ASN 25 2.026 16.075 -5.909 191 2HB ASN 25 2HB ASN 25 1.398 17.017 -4.560 192 1HD2 ASN 25 2HD2 ASN 25 0.322 18.447 -5.935 193 2HD2 ASN 25 1HD2 ASN 25 1.172 19.631 -6.867 194 H GLU 26 H GLU 26 1.845 17.974 -3.081 195 HA GLU 26 HA GLU 26 3.897 19.223 -1.417 196 1HB GLU 26 1HB GLU 26 2.368 21.360 -1.576 197 2HB GLU 26 2HB GLU 26 3.614 21.059 -2.776 198 1HG GLU 26 1HG GLU 26 1.519 21.810 -3.783 199 2HG GLU 26 2HG GLU 26 1.970 20.195 -4.322 200 H GLN 27 H GLN 27 1.427 17.269 -1.483 201 HA GLN 27 HA GLN 27 -0.072 18.414 0.759 202 1HB GLN 27 1HB GLN 27 -1.355 17.698 -1.219 203 2HB GLN 27 2HB GLN 27 -0.705 16.073 -1.055 204 1HG GLN 27 1HG GLN 27 -1.825 15.859 1.113 205 2HG GLN 27 2HG GLN 27 -2.503 17.475 0.913 206 1HE2 GLN 27 2HE2 GLN 27 -2.108 15.245 -1.733 207 2HE2 GLN 27 1HE2 GLN 27 -3.788 14.945 -1.994 208 H ILE 28 H ILE 28 0.619 17.822 2.702 209 HA ILE 28 HA ILE 28 2.073 15.346 3.096 210 HB ILE 28 HB ILE 28 1.195 17.379 5.159 211 1HG1 ILE 28 1HG1 ILE 28 3.852 17.081 3.733 212 2HG1 ILE 28 2HG1 ILE 28 2.675 18.356 3.439 213 1HG2 ILE 28 1HG2 ILE 28 2.949 16.361 6.549 214 2HG2 ILE 28 2HG2 ILE 28 1.687 15.204 6.125 215 3HG2 ILE 28 3HG2 ILE 28 3.239 15.163 5.289 216 1HD1 ILE 28 1HD1 ILE 28 4.152 17.884 6.018 217 2HD1 ILE 28 2HD1 ILE 28 4.502 19.141 4.831 218 3HD1 ILE 28 3HD1 ILE 28 2.978 19.166 5.717 219 H LEU 29 H LEU 29 0.762 13.628 2.905 220 HA LEU 29 HA LEU 29 -1.875 13.659 4.126 221 1HB LEU 29 1HB LEU 29 -0.462 11.679 2.346 222 2HB LEU 29 2HB LEU 29 -2.035 11.368 3.058 223 HG LEU 29 HG LEU 29 -1.443 13.697 1.228 224 1HD1 LEU 29 1HD1 LEU 29 -1.198 11.599 0.019 225 2HD1 LEU 29 2HD1 LEU 29 -2.766 11.056 0.619 226 3HD1 LEU 29 3HD1 LEU 29 -2.670 12.437 -0.474 227 1HD2 LEU 29 1HD2 LEU 29 -4.028 12.551 2.281 228 2HD2 LEU 29 2HD2 LEU 29 -3.299 14.086 2.750 229 3HD2 LEU 29 3HD2 LEU 29 -3.889 13.857 1.103 230 H GLN 30 H GLN 30 -2.064 13.145 6.166 231 HA GLN 30 HA GLN 30 -0.201 11.221 7.362 232 1HB GLN 30 1HB GLN 30 -2.016 13.284 8.624 233 2HB GLN 30 2HB GLN 30 -1.047 12.133 9.536 234 1HG GLN 30 1HG GLN 30 0.986 13.081 8.662 235 2HG GLN 30 2HG GLN 30 0.071 14.161 7.614 236 1HE2 GLN 30 2HE2 GLN 30 -0.959 15.932 8.491 237 2HE2 GLN 30 1HE2 GLN 30 -0.601 16.521 10.073 238 H GLN 31 H GLN 31 -2.282 10.365 5.669 239 HA GLN 31 HA GLN 31 -3.664 8.575 7.514 240 1HB GLN 31 1HB GLN 31 -5.035 10.136 5.312 241 2HB GLN 31 2HB GLN 31 -5.748 8.747 6.116 242 1HG GLN 31 1HG GLN 31 -5.583 9.968 8.263 243 2HG GLN 31 2HG GLN 31 -5.002 11.374 7.372 244 1HE2 GLN 31 2HE2 GLN 31 -7.382 11.039 9.008 245 2HE2 GLN 31 1HE2 GLN 31 -8.728 11.435 7.996 246 H SER 32 H SER 32 -5.003 6.999 5.791 247 HA SER 32 HA SER 32 -2.863 5.786 4.279 248 1HB SER 32 1HB SER 32 -5.743 4.903 4.549 249 2HB SER 32 2HB SER 32 -4.392 3.934 3.959 250 HG SER 32 HG SER 32 -5.053 4.697 6.557 251 H PHE 33 H PHE 33 -2.539 5.965 2.171 252 HA PHE 33 HA PHE 33 -4.774 6.645 0.420 253 1HB PHE 33 1HB PHE 33 -3.453 8.331 -0.784 254 2HB PHE 33 2HB PHE 33 -3.702 8.793 0.893 255 HD1 PHE 33 HD1 PHE 33 -1.264 7.825 -1.631 256 HD2 PHE 33 HD2 PHE 33 -1.841 8.789 2.476 257 HE1 PHE 33 HE1 PHE 33 1.160 8.150 -1.370 258 HE2 PHE 33 HE2 PHE 33 0.583 9.118 2.741 259 HZ PHE 33 HZ PHE 33 2.085 8.797 0.818 260 H ILE 34 H ILE 34 -4.246 6.259 -1.876 261 HA ILE 34 HA ILE 34 -2.394 3.975 -2.099 262 HB ILE 34 HB ILE 34 -4.779 4.587 -3.853 263 1HG1 ILE 34 1HG1 ILE 34 -4.556 2.513 -1.660 264 2HG1 ILE 34 2HG1 ILE 34 -5.399 4.049 -1.486 265 1HG2 ILE 34 1HG2 ILE 34 -3.040 2.134 -3.609 266 2HG2 ILE 34 2HG2 ILE 34 -4.472 2.275 -4.628 267 3HG2 ILE 34 3HG2 ILE 34 -3.055 3.273 -4.954 268 1HD1 ILE 34 1HD1 ILE 34 -6.093 1.856 -3.426 269 2HD1 ILE 34 2HD1 ILE 34 -6.949 2.242 -1.933 270 3HD1 ILE 34 3HD1 ILE 34 -6.937 3.398 -3.265 271 H LEU 35 H LEU 35 -0.554 4.571 -3.054 272 HA LEU 35 HA LEU 35 -0.684 6.528 -5.245 273 1HB LEU 35 1HB LEU 35 0.839 7.103 -3.417 274 2HB LEU 35 2HB LEU 35 1.683 5.582 -3.624 275 HG LEU 35 HG LEU 35 2.399 6.301 -5.877 276 1HD1 LEU 35 1HD1 LEU 35 1.104 8.918 -5.122 277 2HD1 LEU 35 2HD1 LEU 35 2.118 8.640 -6.538 278 3HD1 LEU 35 3HD1 LEU 35 0.565 7.816 -6.390 279 1HD2 LEU 35 1HD2 LEU 35 3.088 8.227 -3.662 280 2HD2 LEU 35 2HD2 LEU 35 3.850 6.664 -3.954 281 3HD2 LEU 35 3HD2 LEU 35 4.025 7.964 -5.133 282 H MET 36 H MET 36 -0.599 5.783 -7.236 283 HA MET 36 HA MET 36 0.828 3.254 -7.742 284 1HB MET 36 1HB MET 36 -1.692 4.306 -9.043 285 2HB MET 36 2HB MET 36 -0.766 2.952 -9.671 286 1HG MET 36 1HG MET 36 -1.174 1.712 -7.611 287 2HG MET 36 2HG MET 36 -2.097 3.072 -6.973 288 1HE MET 36 1HE MET 36 -4.096 1.360 -6.485 289 2HE MET 36 2HE MET 36 -3.164 0.038 -7.189 290 3HE MET 36 3HE MET 36 -4.821 0.331 -7.720 291 HA PRO 37 HA PRO 37 3.189 5.515 -10.807 292 1HB PRO 37 1HB PRO 37 3.151 3.141 -12.536 293 2HB PRO 37 2HB PRO 37 4.515 3.897 -11.708 294 1HG PRO 37 1HG PRO 37 3.534 1.506 -10.954 295 2HG PRO 37 2HG PRO 37 4.206 2.663 -9.789 296 1HD PRO 37 1HD PRO 37 1.338 2.081 -10.445 297 2HD PRO 37 2HD PRO 37 2.101 2.335 -8.860 298 H ASP 38 H ASP 38 0.534 6.087 -10.948 299 HA ASP 38 HA ASP 38 -0.031 6.388 -13.760 300 1HB ASP 38 1HB ASP 38 -0.918 4.171 -13.477 301 2HB ASP 38 2HB ASP 38 -1.725 4.625 -11.981 302 H GLU 39 H GLU 39 -1.391 6.528 -10.479 303 HA GLU 39 HA GLU 39 -1.864 9.331 -10.627 304 1HB GLU 39 1HB GLU 39 -3.894 7.667 -11.692 305 2HB GLU 39 2HB GLU 39 -4.481 8.254 -10.142 306 1HG GLU 39 1HG GLU 39 -3.389 10.027 -12.310 307 2HG GLU 39 2HG GLU 39 -5.101 9.663 -12.095 308 H LEU 40 H LEU 40 -3.057 10.097 -8.658 309 HA LEU 40 HA LEU 40 -2.366 8.392 -6.364 310 1HB LEU 40 1HB LEU 40 -1.342 10.597 -6.352 311 2HB LEU 40 2HB LEU 40 -2.910 11.358 -6.550 312 HG LEU 40 HG LEU 40 -3.564 10.412 -4.316 313 1HD1 LEU 40 1HD1 LEU 40 -1.939 8.602 -4.218 314 2HD1 LEU 40 2HD1 LEU 40 -0.626 9.774 -4.146 315 3HD1 LEU 40 3HD1 LEU 40 -1.786 9.670 -2.824 316 1HD2 LEU 40 1HD2 LEU 40 -1.192 12.269 -4.390 317 2HD2 LEU 40 2HD2 LEU 40 -2.886 12.729 -4.561 318 3HD2 LEU 40 3HD2 LEU 40 -2.301 12.072 -3.032 319 H VAL 41 H VAL 41 -3.918 7.481 -5.179 320 HA VAL 41 HA VAL 41 -6.661 8.543 -5.409 321 HB VAL 41 HB VAL 41 -5.846 5.680 -4.863 322 1HG1 VAL 41 1HG1 VAL 41 -8.575 6.898 -5.275 323 2HG1 VAL 41 2HG1 VAL 41 -8.231 5.179 -5.092 324 3HG1 VAL 41 3HG1 VAL 41 -7.927 6.285 -3.754 325 1HG2 VAL 41 1HG2 VAL 41 -6.786 5.189 -7.076 326 2HG2 VAL 41 2HG2 VAL 41 -7.045 6.913 -7.343 327 3HG2 VAL 41 3HG2 VAL 41 -5.405 6.283 -7.178 328 H GLU 42 H GLU 42 -7.039 9.687 -3.606 329 HA GLU 42 HA GLU 42 -6.342 8.426 -1.047 330 1HB GLU 42 1HB GLU 42 -6.433 10.998 -0.298 331 2HB GLU 42 2HB GLU 42 -4.959 10.200 -0.819 332 1HG GLU 42 1HG GLU 42 -5.047 12.302 -1.896 333 2HG GLU 42 2HG GLU 42 -5.390 11.078 -3.116 334 H HIS 43 H HIS 43 -7.717 10.395 0.532 335 HA HIS 43 HA HIS 43 -9.725 10.592 1.559 336 1HB HIS 43 1HB HIS 43 -10.769 10.257 -1.257 337 2HB HIS 43 2HB HIS 43 -11.822 10.525 0.124 338 HD1 HIS 43 HD1 HIS 43 -10.445 12.331 -2.527 339 HD2 HIS 43 HD2 HIS 43 -10.758 13.058 1.557 340 HE1 HIS 43 HE1 HIS 43 -10.239 14.821 -2.263 341 HE2 HIS 43 HE2 HIS 43 -10.185 15.202 0.223 342 H TRP 44 H TRP 44 -8.434 8.204 1.628 343 HA TRP 44 HA TRP 44 -10.486 6.140 1.335 344 1HB TRP 44 1HB TRP 44 -8.064 5.860 0.505 345 2HB TRP 44 2HB TRP 44 -7.622 5.718 2.200 346 HD1 TRP 44 HD1 TRP 44 -10.687 4.070 0.493 347 HE1 TRP 44 HE1 TRP 44 -10.479 1.516 0.773 348 HE3 TRP 44 HE3 TRP 44 -6.092 3.870 2.727 349 HZ2 TRP 44 HZ2 TRP 44 -8.615 -0.329 1.806 350 HZ3 TRP 44 HZ3 TRP 44 -5.167 1.669 3.326 351 HH2 TRP 44 HH2 TRP 44 -6.404 -0.385 2.874 352 HA PRO 45 HA PRO 45 -11.466 6.899 5.591 353 1HB PRO 45 1HB PRO 45 -13.114 4.481 5.413 354 2HB PRO 45 2HB PRO 45 -13.607 6.159 5.653 355 1HG PRO 45 1HG PRO 45 -14.089 4.854 3.353 356 2HG PRO 45 2HG PRO 45 -13.719 6.588 3.390 357 1HD PRO 45 1HD PRO 45 -11.919 4.280 2.730 358 2HD PRO 45 2HD PRO 45 -12.084 5.849 1.912 359 H VAL 46 H VAL 46 -9.018 5.707 5.478 360 HA VAL 46 HA VAL 46 -9.251 3.807 7.706 361 HB VAL 46 HB VAL 46 -7.260 3.525 5.440 362 1HG1 VAL 46 1HG1 VAL 46 -6.290 2.893 7.581 363 2HG1 VAL 46 2HG1 VAL 46 -7.665 1.836 7.907 364 3HG1 VAL 46 3HG1 VAL 46 -6.563 1.467 6.579 365 1HG2 VAL 46 1HG2 VAL 46 -9.589 1.773 6.215 366 2HG2 VAL 46 2HG2 VAL 46 -9.484 2.792 4.779 367 3HG2 VAL 46 3HG2 VAL 46 -8.401 1.412 4.962 368 HA PRO 47 HA PRO 47 -6.364 7.086 9.003 369 1HB PRO 47 1HB PRO 47 -7.665 7.140 11.543 370 2HB PRO 47 2HB PRO 47 -7.749 8.349 10.264 371 1HG PRO 47 1HG PRO 47 -9.866 6.763 11.097 372 2HG PRO 47 2HG PRO 47 -9.771 7.607 9.543 373 1HD PRO 47 1HD PRO 47 -9.223 4.738 10.182 374 2HD PRO 47 2HD PRO 47 -9.988 5.448 8.743 375 H SER 48 H SER 48 -7.213 3.983 10.154 376 HA SER 48 HA SER 48 -4.624 3.612 11.371 377 1HB SER 48 1HB SER 48 -7.125 3.225 13.040 378 2HB SER 48 2HB SER 48 -5.471 2.886 13.547 379 HG SER 48 HG SER 48 -5.424 5.359 12.742 380 H LEU 49 H LEU 49 -4.281 1.312 11.976 381 HA LEU 49 HA LEU 49 -5.154 -0.396 9.904 382 1HB LEU 49 1HB LEU 49 -3.659 -0.842 12.464 383 2HB LEU 49 2HB LEU 49 -4.172 -2.208 11.498 384 HG LEU 49 HG LEU 49 -1.869 -1.694 11.014 385 1HD1 LEU 49 1HD1 LEU 49 -1.991 -1.386 8.598 386 2HD1 LEU 49 2HD1 LEU 49 -3.222 -2.509 9.175 387 3HD1 LEU 49 3HD1 LEU 49 -3.666 -0.855 8.751 388 1HD2 LEU 49 1HD2 LEU 49 -2.828 1.062 10.260 389 2HD2 LEU 49 2HD2 LEU 49 -1.829 0.649 11.654 390 3HD2 LEU 49 3HD2 LEU 49 -1.196 0.439 10.020 391 H GLY 50 H GLY 50 -6.372 0.227 13.097 392 1HA GLY 50 1HA GLY 50 -7.929 -2.103 13.437 393 2HA GLY 50 2HA GLY 50 -8.188 -0.570 14.252 394 H GLN 51 H GLN 51 -8.385 0.565 11.345 395 HA GLN 51 HA GLN 51 -11.240 -0.090 11.067 396 1HB GLN 51 1HB GLN 51 -9.750 2.364 10.115 397 2HB GLN 51 2HB GLN 51 -11.478 2.081 9.942 398 1HG GLN 51 1HG GLN 51 -11.671 2.005 12.403 399 2HG GLN 51 2HG GLN 51 -9.959 2.403 12.521 400 1HE2 GLN 51 2HE2 GLN 51 -12.170 3.728 10.136 401 2HE2 GLN 51 1HE2 GLN 51 -12.141 5.351 10.747 402 H LEU 52 H LEU 52 -8.528 -1.162 9.889 403 HA LEU 52 HA LEU 52 -9.089 -1.037 7.057 404 1HB LEU 52 1HB LEU 52 -6.771 -1.178 7.870 405 2HB LEU 52 2HB LEU 52 -7.120 -2.732 8.604 406 HG LEU 52 HG LEU 52 -7.545 -3.679 6.360 407 1HD1 LEU 52 1HD1 LEU 52 -8.250 -1.644 5.221 408 2HD1 LEU 52 2HD1 LEU 52 -6.623 -0.981 5.378 409 3HD1 LEU 52 3HD1 LEU 52 -6.902 -2.403 4.374 410 1HD2 LEU 52 1HD2 LEU 52 -5.211 -3.683 5.613 411 2HD2 LEU 52 2HD2 LEU 52 -4.870 -2.325 6.686 412 3HD2 LEU 52 3HD2 LEU 52 -5.339 -3.886 7.360 413 H GLN 53 H GLN 53 -10.460 -2.311 6.057 414 HA GLN 53 HA GLN 53 -11.128 -4.935 7.165 415 1HB GLN 53 1HB GLN 53 -13.073 -2.731 6.480 416 2HB GLN 53 2HB GLN 53 -13.555 -4.417 6.582 417 1HG GLN 53 1HG GLN 53 -13.009 -4.504 8.903 418 2HG GLN 53 2HG GLN 53 -12.278 -2.899 8.841 419 1HE2 GLN 53 2HE2 GLN 53 -14.525 -3.969 10.454 420 2HE2 GLN 53 1HE2 GLN 53 -15.864 -2.915 10.117 421 HA PRO 54 HA PRO 54 -10.903 -6.375 2.980 422 1HB PRO 54 1HB PRO 54 -13.525 -7.694 3.475 423 2HB PRO 54 2HB PRO 54 -12.007 -8.389 2.894 424 1HG PRO 54 1HG PRO 54 -12.819 -8.811 5.389 425 2HG PRO 54 2HG PRO 54 -11.105 -8.532 5.025 426 1HD PRO 54 1HD PRO 54 -13.122 -6.673 6.210 427 2HD PRO 54 2HD PRO 54 -11.400 -6.864 6.596 428 H ALA 55 H ALA 55 -13.988 -5.092 4.131 429 HA ALA 55 HA ALA 55 -15.134 -4.521 1.627 430 1HB ALA 55 1HB ALA 55 -16.416 -4.512 3.713 431 2HB ALA 55 2HB ALA 55 -15.536 -3.080 4.246 432 3HB ALA 55 3HB ALA 55 -16.597 -2.990 2.840 433 H HIS 56 H HIS 56 -13.215 -2.493 3.825 434 HA HIS 56 HA HIS 56 -13.212 -0.207 2.161 435 1HB HIS 56 1HB HIS 56 -11.602 -1.058 4.540 436 2HB HIS 56 2HB HIS 56 -11.092 0.343 3.610 437 HD1 HIS 56 HD1 HIS 56 -12.054 0.549 6.586 438 HD2 HIS 56 HD2 HIS 56 -14.422 1.249 3.234 439 HE1 HIS 56 HE1 HIS 56 -13.903 2.064 7.362 440 HE2 HIS 56 HE2 HIS 56 -15.257 2.568 5.293 441 H MET 57 H MET 57 -11.096 -2.994 2.408 442 HA MET 57 HA MET 57 -9.093 -1.793 0.681 443 1HB MET 57 1HB MET 57 -8.542 -3.241 2.668 444 2HB MET 57 2HB MET 57 -9.181 -4.608 1.769 445 1HG MET 57 1HG MET 57 -7.486 -4.334 0.074 446 2HG MET 57 2HG MET 57 -6.882 -2.884 0.874 447 1HE MET 57 1HE MET 57 -4.417 -3.794 0.935 448 2HE MET 57 2HE MET 57 -4.951 -5.232 0.063 449 3HE MET 57 3HE MET 57 -3.976 -5.397 1.524 450 H ASP 58 H ASP 58 -11.957 -3.460 0.244 451 HA ASP 58 HA ASP 58 -11.388 -5.206 -1.874 452 1HB ASP 58 1HB ASP 58 -13.532 -5.210 -0.660 453 2HB ASP 58 2HB ASP 58 -13.934 -3.649 -1.364 454 H ALA 59 H ALA 59 -12.026 -1.755 -1.813 455 HA ALA 59 HA ALA 59 -12.283 -1.341 -4.587 456 1HB ALA 59 1HB ALA 59 -11.255 0.561 -2.481 457 2HB ALA 59 2HB ALA 59 -11.802 1.005 -4.100 458 3HB ALA 59 3HB ALA 59 -12.945 0.333 -2.934 459 H VAL 60 H VAL 60 -9.493 -1.558 -2.462 460 HA VAL 60 HA VAL 60 -7.533 -0.679 -4.297 461 HB VAL 60 HB VAL 60 -7.151 -2.685 -2.063 462 1HG1 VAL 60 1HG1 VAL 60 -5.221 -0.787 -3.390 463 2HG1 VAL 60 2HG1 VAL 60 -4.854 -1.830 -2.017 464 3HG1 VAL 60 3HG1 VAL 60 -5.259 -2.540 -3.581 465 1HG2 VAL 60 1HG2 VAL 60 -8.259 -0.704 -1.194 466 2HG2 VAL 60 2HG2 VAL 60 -6.587 -0.774 -0.638 467 3HG2 VAL 60 3HG2 VAL 60 -7.037 0.326 -1.940 468 H LEU 61 H LEU 61 -8.893 -3.835 -3.524 469 HA LEU 61 HA LEU 61 -7.239 -5.341 -5.267 470 1HB LEU 61 1HB LEU 61 -9.999 -5.985 -4.222 471 2HB LEU 61 2HB LEU 61 -8.883 -7.130 -4.943 472 HG LEU 61 HG LEU 61 -8.419 -5.642 -2.356 473 1HD1 LEU 61 1HD1 LEU 61 -9.171 -8.513 -2.882 474 2HD1 LEU 61 2HD1 LEU 61 -8.724 -7.843 -1.312 475 3HD1 LEU 61 3HD1 LEU 61 -10.185 -7.283 -2.127 476 1HD2 LEU 61 1HD2 LEU 61 -6.343 -6.143 -3.541 477 2HD2 LEU 61 2HD2 LEU 61 -6.508 -7.140 -2.095 478 3HD2 LEU 61 3HD2 LEU 61 -6.827 -7.834 -3.685 479 H ALA 62 H ALA 62 -10.260 -3.619 -5.655 480 HA ALA 62 HA ALA 62 -10.984 -4.701 -8.175 481 1HB ALA 62 1HB ALA 62 -12.529 -2.821 -8.324 482 2HB ALA 62 2HB ALA 62 -12.589 -3.562 -6.724 483 3HB ALA 62 3HB ALA 62 -11.727 -2.042 -6.961 484 H LEU 63 H LEU 63 -8.836 -2.139 -7.185 485 HA LEU 63 HA LEU 63 -8.581 -1.000 -9.811 486 1HB LEU 63 1HB LEU 63 -6.903 -0.655 -7.328 487 2HB LEU 63 2HB LEU 63 -6.693 0.269 -8.802 488 HG LEU 63 HG LEU 63 -9.155 0.286 -7.055 489 1HD1 LEU 63 1HD1 LEU 63 -7.274 1.404 -6.000 490 2HD1 LEU 63 2HD1 LEU 63 -7.004 2.359 -7.459 491 3HD1 LEU 63 3HD1 LEU 63 -8.482 2.578 -6.522 492 1HD2 LEU 63 1HD2 LEU 63 -9.687 0.630 -9.413 493 2HD2 LEU 63 2HD2 LEU 63 -9.911 2.112 -8.484 494 3HD2 LEU 63 3HD2 LEU 63 -8.484 1.916 -9.502 495 H ASN 64 H ASN 64 -7.660 -3.890 -8.724 496 HA ASN 64 HA ASN 64 -6.283 -5.514 -9.474 497 1HB ASN 64 1HB ASN 64 -6.960 -4.708 -11.713 498 2HB ASN 64 2HB ASN 64 -5.600 -3.587 -11.705 499 1HD2 ASN 64 2HD2 ASN 64 -6.585 -6.902 -11.991 500 2HD2 ASN 64 1HD2 ASN 64 -5.072 -7.515 -12.556 501 HA PRO 65 HA PRO 65 -2.358 -3.958 -7.861 502 1HB PRO 65 1HB PRO 65 -2.523 -5.052 -5.406 503 2HB PRO 65 2HB PRO 65 -3.315 -3.523 -5.804 504 1HG PRO 65 1HG PRO 65 -4.511 -6.144 -5.269 505 2HG PRO 65 2HG PRO 65 -5.274 -4.547 -5.289 506 1HD PRO 65 1HD PRO 65 -5.211 -6.580 -7.385 507 2HD PRO 65 2HD PRO 65 -6.189 -5.100 -7.291 508 H ALA 66 H ALA 66 -0.674 -5.139 -8.622 509 HA ALA 66 HA ALA 66 -0.741 -8.046 -8.510 510 1HB ALA 66 1HB ALA 66 1.398 -6.202 -9.582 511 2HB ALA 66 2HB ALA 66 1.352 -7.956 -9.766 512 3HB ALA 66 3HB ALA 66 0.118 -6.957 -10.531 513 H VAL 67 H VAL 67 0.857 -5.342 -7.004 514 HA VAL 67 HA VAL 67 1.562 -7.050 -4.770 515 HB VAL 67 HB VAL 67 3.625 -7.107 -6.047 516 1HG1 VAL 67 1HG1 VAL 67 3.510 -4.096 -6.011 517 2HG1 VAL 67 2HG1 VAL 67 4.875 -5.059 -6.573 518 3HG1 VAL 67 3HG1 VAL 67 3.332 -5.139 -7.422 519 1HG2 VAL 67 1HG2 VAL 67 3.842 -5.228 -3.697 520 2HG2 VAL 67 2HG2 VAL 67 3.845 -6.990 -3.632 521 3HG2 VAL 67 3HG2 VAL 67 5.175 -6.135 -4.411 522 H ILE 68 H ILE 68 1.343 -6.023 -2.850 523 HA ILE 68 HA ILE 68 0.641 -3.161 -2.979 524 HB ILE 68 HB ILE 68 -0.450 -5.216 -1.048 525 1HG1 ILE 68 1HG1 ILE 68 -1.820 -3.866 -3.385 526 2HG1 ILE 68 2HG1 ILE 68 -1.257 -5.532 -3.378 527 1HG2 ILE 68 1HG2 ILE 68 -0.333 -2.979 -0.098 528 2HG2 ILE 68 2HG2 ILE 68 -1.188 -2.325 -1.494 529 3HG2 ILE 68 3HG2 ILE 68 -2.010 -3.436 -0.399 530 1HD1 ILE 68 1HD1 ILE 68 -3.648 -5.404 -2.991 531 2HD1 ILE 68 2HD1 ILE 68 -2.816 -6.052 -1.578 532 3HD1 ILE 68 3HD1 ILE 68 -3.377 -4.381 -1.581 533 H LEU 69 H LEU 69 2.062 -1.922 -1.993 534 HA LEU 69 HA LEU 69 3.748 -3.028 0.118 535 1HB LEU 69 1HB LEU 69 3.835 -0.359 -1.293 536 2HB LEU 69 2HB LEU 69 4.968 -0.874 -0.058 537 HG LEU 69 HG LEU 69 4.607 -2.148 -2.771 538 1HD1 LEU 69 1HD1 LEU 69 5.715 0.018 -2.858 539 2HD1 LEU 69 2HD1 LEU 69 6.860 -0.510 -1.624 540 3HD1 LEU 69 3HD1 LEU 69 6.847 -1.291 -3.206 541 1HD2 LEU 69 1HD2 LEU 69 5.190 -3.810 -1.094 542 2HD2 LEU 69 2HD2 LEU 69 6.560 -3.498 -2.158 543 3HD2 LEU 69 3HD2 LEU 69 6.528 -2.803 -0.538 544 H LEU 70 H LEU 70 3.071 -2.875 2.124 545 HA LEU 70 HA LEU 70 1.033 -0.861 2.755 546 1HB LEU 70 1HB LEU 70 0.535 -3.310 3.066 547 2HB LEU 70 2HB LEU 70 1.765 -3.340 4.314 548 HG LEU 70 HG LEU 70 0.446 -1.647 5.584 549 1HD1 LEU 70 1HD1 LEU 70 -0.770 -0.650 3.750 550 2HD1 LEU 70 2HD1 LEU 70 -1.594 -2.176 3.432 551 3HD1 LEU 70 3HD1 LEU 70 -1.900 -1.306 4.935 552 1HD2 LEU 70 1HD2 LEU 70 0.283 -4.027 6.100 553 2HD2 LEU 70 2HD2 LEU 70 -1.264 -3.219 6.341 554 3HD2 LEU 70 3HD2 LEU 70 -1.001 -4.207 4.905 555 H GLY 71 H GLY 71 2.229 0.916 3.313 556 1HA GLY 71 1HA GLY 71 4.385 0.636 5.263 557 2HA GLY 71 2HA GLY 71 3.902 2.119 4.447 558 H THR 72 H THR 72 3.800 0.434 7.344 559 HA THR 72 HA THR 72 1.251 1.542 8.205 560 HB THR 72 HB THR 72 1.763 0.286 10.339 561 HG1 THR 72 HG1 THR 72 3.932 -0.031 10.314 562 1HG2 THR 72 1HG2 THR 72 0.313 -0.624 8.589 563 2HG2 THR 72 2HG2 THR 72 1.721 -1.294 7.765 564 3HG2 THR 72 3HG2 THR 72 1.260 -1.899 9.356 565 H GLY 73 H GLY 73 2.804 3.609 7.687 566 1HA GLY 73 1HA GLY 73 3.574 5.576 8.542 567 2HA GLY 73 2HA GLY 73 2.730 5.117 10.007 568 H GLU 74 H GLU 74 3.850 4.300 11.715 569 HA GLU 74 HA GLU 74 6.580 5.279 11.772 570 1HB GLU 74 1HB GLU 74 5.033 6.060 13.468 571 2HB GLU 74 2HB GLU 74 4.680 4.409 13.954 572 1HG GLU 74 1HG GLU 74 6.974 4.145 14.742 573 2HG GLU 74 2HG GLU 74 7.335 5.797 14.239 574 H ARG 75 H ARG 75 4.900 2.380 12.993 575 HA ARG 75 HA ARG 75 7.461 0.938 12.791 576 1HB ARG 75 1HB ARG 75 6.449 1.571 15.146 577 2HB ARG 75 2HB ARG 75 5.389 0.207 14.829 578 1HG ARG 75 1HG ARG 75 7.393 -1.220 14.531 579 2HG ARG 75 2HG ARG 75 8.393 0.158 14.994 580 1HD ARG 75 1HD ARG 75 6.413 -1.369 16.656 581 2HD ARG 75 2HD ARG 75 8.129 -1.103 16.960 582 HE ARG 75 HE ARG 75 6.194 1.125 17.035 583 1HH1 ARG 75 1HH1 ARG 75 8.766 -0.742 18.538 584 2HH1 ARG 75 2HH1 ARG 75 8.821 0.274 19.950 585 1HH2 ARG 75 1HH2 ARG 75 6.290 2.441 18.873 586 2HH2 ARG 75 2HH2 ARG 75 7.422 2.075 20.149 587 H GLN 76 H GLN 76 7.261 -1.351 12.373 588 HA GLN 76 HA GLN 76 5.306 -1.949 10.410 589 1HB GLN 76 1HB GLN 76 7.619 -2.922 10.547 590 2HB GLN 76 2HB GLN 76 7.071 -3.901 11.900 591 1HG GLN 76 1HG GLN 76 5.407 -4.959 10.430 592 2HG GLN 76 2HG GLN 76 6.026 -4.008 9.079 593 1HE2 GLN 76 2HE2 GLN 76 6.691 -5.757 7.889 594 2HE2 GLN 76 1HE2 GLN 76 8.029 -6.760 8.350 595 H GLN 77 H GLN 77 3.224 -1.900 11.140 596 HA GLN 77 HA GLN 77 2.549 -3.592 13.450 597 1HB GLN 77 1HB GLN 77 1.946 -1.180 13.616 598 2HB GLN 77 2HB GLN 77 0.923 -1.365 12.199 599 1HG GLN 77 1HG GLN 77 -0.471 -2.958 13.400 600 2HG GLN 77 2HG GLN 77 0.564 -2.806 14.817 601 1HE2 GLN 77 2HE2 GLN 77 0.488 -0.918 16.045 602 2HE2 GLN 77 1HE2 GLN 77 -0.822 0.212 15.905 603 H PHE 78 H PHE 78 1.498 -5.427 13.080 604 HA PHE 78 HA PHE 78 0.662 -6.024 10.377 605 1HB PHE 78 1HB PHE 78 0.713 -7.756 12.855 606 2HB PHE 78 2HB PHE 78 0.347 -8.321 11.226 607 HD1 PHE 78 HD1 PHE 78 2.135 -8.038 9.441 608 HD2 PHE 78 HD2 PHE 78 2.917 -7.645 13.605 609 HE1 PHE 78 HE1 PHE 78 4.534 -8.383 9.020 610 HE2 PHE 78 HE2 PHE 78 5.318 -7.991 13.191 611 HZ PHE 78 HZ PHE 78 6.128 -8.359 10.896 612 HA PRO 79 HA PRO 79 -3.566 -4.951 11.260 613 1HB PRO 79 1HB PRO 79 -4.181 -6.226 8.700 614 2HB PRO 79 2HB PRO 79 -4.327 -4.531 9.164 615 1HG PRO 79 1HG PRO 79 -2.464 -5.405 7.412 616 2HG PRO 79 2HG PRO 79 -2.197 -4.022 8.489 617 1HD PRO 79 1HD PRO 79 -1.228 -6.841 8.746 618 2HD PRO 79 2HD PRO 79 -0.385 -5.318 9.100 619 H SER 80 H SER 80 -5.738 -6.143 10.916 620 HA SER 80 HA SER 80 -5.707 -8.470 12.471 621 1HB SER 80 1HB SER 80 -7.948 -7.514 10.681 622 2HB SER 80 2HB SER 80 -8.089 -8.514 12.128 623 HG SER 80 HG SER 80 -8.301 -5.951 12.054 624 H THR 81 H THR 81 -5.928 -10.609 11.998 625 HA THR 81 HA THR 81 -4.896 -11.583 9.574 626 HB THR 81 HB THR 81 -5.951 -13.796 10.533 627 HG1 THR 81 HG1 THR 81 -5.751 -12.780 13.048 628 1HG2 THR 81 1HG2 THR 81 -4.022 -14.041 12.020 629 2HG2 THR 81 2HG2 THR 81 -3.559 -13.272 10.502 630 3HG2 THR 81 3HG2 THR 81 -3.752 -12.299 11.960 631 H ASP 82 H ASP 82 -8.060 -10.729 10.549 632 HA ASP 82 HA ASP 82 -9.679 -12.194 8.819 633 1HB ASP 82 1HB ASP 82 -10.588 -10.795 10.596 634 2HB ASP 82 2HB ASP 82 -9.977 -9.347 9.807 635 H VAL 83 H VAL 83 -7.877 -9.202 8.285 636 HA VAL 83 HA VAL 83 -8.900 -8.882 5.598 637 HB VAL 83 HB VAL 83 -6.659 -7.354 6.929 638 1HG1 VAL 83 1HG1 VAL 83 -7.267 -5.588 5.334 639 2HG1 VAL 83 2HG1 VAL 83 -6.744 -7.065 4.526 640 3HG1 VAL 83 3HG1 VAL 83 -8.460 -6.667 4.612 641 1HG2 VAL 83 1HG2 VAL 83 -9.612 -6.740 6.921 642 2HG2 VAL 83 2HG2 VAL 83 -8.656 -7.238 8.317 643 3HG2 VAL 83 3HG2 VAL 83 -8.342 -5.685 7.543 644 H LEU 84 H LEU 84 -5.932 -9.937 7.158 645 HA LEU 84 HA LEU 84 -4.185 -9.828 4.984 646 1HB LEU 84 1HB LEU 84 -4.171 -11.753 7.309 647 2HB LEU 84 2HB LEU 84 -2.820 -11.455 6.234 648 HG LEU 84 HG LEU 84 -4.059 -9.410 8.079 649 1HD1 LEU 84 1HD1 LEU 84 -2.862 -11.148 9.298 650 2HD1 LEU 84 2HD1 LEU 84 -1.451 -10.910 8.267 651 3HD1 LEU 84 3HD1 LEU 84 -1.980 -9.621 9.347 652 1HD2 LEU 84 1HD2 LEU 84 -2.154 -8.019 7.467 653 2HD2 LEU 84 2HD2 LEU 84 -1.599 -9.258 6.340 654 3HD2 LEU 84 3HD2 LEU 84 -3.124 -8.420 6.048 655 H ALA 85 H ALA 85 -6.617 -12.180 5.783 656 HA ALA 85 HA ALA 85 -5.619 -14.372 4.333 657 1HB ALA 85 1HB ALA 85 -8.488 -13.698 4.960 658 2HB ALA 85 2HB ALA 85 -7.865 -15.281 4.493 659 3HB ALA 85 3HB ALA 85 -7.377 -14.558 6.026 660 H ALA 86 H ALA 86 -7.331 -11.509 3.311 661 HA ALA 86 HA ALA 86 -8.432 -12.534 0.912 662 1HB ALA 86 1HB ALA 86 -7.707 -9.681 1.564 663 2HB ALA 86 2HB ALA 86 -8.808 -10.220 0.295 664 3HB ALA 86 3HB ALA 86 -9.224 -10.473 1.990 665 H CYS 87 H CYS 87 -5.425 -10.763 1.568 666 HA CYS 87 HA CYS 87 -4.612 -10.707 -1.163 667 1HB CYS 87 1HB CYS 87 -2.918 -10.363 1.321 668 2HB CYS 87 2HB CYS 87 -2.497 -9.855 -0.312 669 HG CYS 87 HG CYS 87 -3.309 -7.738 1.562 670 H LEU 88 H LEU 88 -3.962 -12.820 1.566 671 HA LEU 88 HA LEU 88 -1.801 -14.223 0.410 672 1HB LEU 88 1HB LEU 88 -2.389 -14.086 2.852 673 2HB LEU 88 2HB LEU 88 -3.700 -15.204 2.540 674 HG LEU 88 HG LEU 88 -0.888 -15.991 1.851 675 1HD1 LEU 88 1HD1 LEU 88 -2.165 -16.194 4.577 676 2HD1 LEU 88 2HD1 LEU 88 -0.640 -16.936 4.094 677 3HD1 LEU 88 3HD1 LEU 88 -0.787 -15.180 4.150 678 1HD2 LEU 88 1HD2 LEU 88 -3.313 -17.538 2.768 679 2HD2 LEU 88 2HD2 LEU 88 -2.729 -17.423 1.108 680 3HD2 LEU 88 3HD2 LEU 88 -1.749 -18.230 2.334 681 H THR 89 H THR 89 -5.293 -14.827 0.471 682 HA THR 89 HA THR 89 -5.170 -17.459 -0.518 683 HB THR 89 HB THR 89 -7.601 -16.979 -1.227 684 HG1 THR 89 HG1 THR 89 -7.371 -14.757 0.496 685 1HG2 THR 89 1HG2 THR 89 -7.003 -18.185 0.806 686 2HG2 THR 89 2HG2 THR 89 -6.754 -16.659 1.654 687 3HG2 THR 89 3HG2 THR 89 -8.368 -17.110 1.103 688 H ARG 90 H ARG 90 -5.672 -14.363 -2.228 689 HA ARG 90 HA ARG 90 -5.899 -15.669 -4.772 690 1HB ARG 90 1HB ARG 90 -6.934 -13.440 -4.244 691 2HB ARG 90 2HB ARG 90 -5.316 -12.747 -4.274 692 1HG ARG 90 1HG ARG 90 -5.082 -13.581 -6.617 693 2HG ARG 90 2HG ARG 90 -6.781 -14.046 -6.560 694 1HD ARG 90 1HD ARG 90 -7.356 -11.683 -6.062 695 2HD ARG 90 2HD ARG 90 -5.654 -11.264 -6.268 696 HE ARG 90 HE ARG 90 -7.502 -12.158 -8.376 697 1HH1 ARG 90 1HH1 ARG 90 -4.367 -10.904 -7.448 698 2HH1 ARG 90 2HH1 ARG 90 -3.910 -10.462 -9.062 699 1HH2 ARG 90 1HH2 ARG 90 -6.932 -11.545 -10.502 700 2HH2 ARG 90 2HH2 ARG 90 -5.374 -10.823 -10.808 701 H GLY 91 H GLY 91 -3.296 -14.409 -2.859 702 1HA GLY 91 1HA GLY 91 -1.041 -15.042 -3.202 703 2HA GLY 91 2HA GLY 91 -1.415 -15.366 -4.888 704 H ILE 92 H ILE 92 -2.008 -12.491 -2.904 705 HA ILE 92 HA ILE 92 -0.500 -10.921 -4.885 706 HB ILE 92 HB ILE 92 -2.541 -9.980 -2.856 707 1HG1 ILE 92 1HG1 ILE 92 -2.734 -10.207 -5.869 708 2HG1 ILE 92 2HG1 ILE 92 -3.520 -11.281 -4.717 709 1HG2 ILE 92 1HG2 ILE 92 -0.873 -8.271 -3.270 710 2HG2 ILE 92 2HG2 ILE 92 -1.075 -8.461 -5.012 711 3HG2 ILE 92 3HG2 ILE 92 -2.397 -7.819 -4.037 712 1HD1 ILE 92 1HD1 ILE 92 -5.073 -9.646 -5.613 713 2HD1 ILE 92 2HD1 ILE 92 -4.843 -9.412 -3.879 714 3HD1 ILE 92 3HD1 ILE 92 -4.048 -8.335 -5.028 715 H GLY 93 H GLY 93 1.411 -10.118 -4.305 716 1HA GLY 93 1HA GLY 93 2.582 -10.631 -1.799 717 2HA GLY 93 2HA GLY 93 3.217 -9.532 -3.018 718 H LEU 94 H LEU 94 2.238 -9.693 0.081 719 HA LEU 94 HA LEU 94 1.425 -6.863 0.117 720 1HB LEU 94 1HB LEU 94 -0.455 -8.316 0.726 721 2HB LEU 94 2HB LEU 94 0.523 -9.079 1.963 722 HG LEU 94 HG LEU 94 0.642 -6.910 3.165 723 1HD1 LEU 94 1HD1 LEU 94 -1.319 -6.007 1.059 724 2HD1 LEU 94 2HD1 LEU 94 -0.881 -5.109 2.514 725 3HD1 LEU 94 3HD1 LEU 94 0.331 -5.417 1.270 726 1HD2 LEU 94 1HD2 LEU 94 -1.037 -8.578 3.761 727 2HD2 LEU 94 2HD2 LEU 94 -1.660 -6.940 3.975 728 3HD2 LEU 94 3HD2 LEU 94 -2.146 -7.893 2.572 729 H GLU 95 H GLU 95 3.327 -5.919 0.604 730 HA GLU 95 HA GLU 95 4.970 -7.125 2.710 731 1HB GLU 95 1HB GLU 95 5.693 -4.897 0.801 732 2HB GLU 95 2HB GLU 95 6.786 -5.739 1.890 733 1HG GLU 95 1HG GLU 95 5.379 -6.888 -0.510 734 2HG GLU 95 2HG GLU 95 7.101 -6.552 -0.344 735 H ALA 96 H ALA 96 4.198 -6.450 4.625 736 HA ALA 96 HA ALA 96 3.418 -3.698 5.054 737 1HB ALA 96 1HB ALA 96 2.944 -4.414 7.348 738 2HB ALA 96 2HB ALA 96 2.191 -5.492 6.175 739 3HB ALA 96 3HB ALA 96 3.663 -5.987 7.010 740 H MET 97 H MET 97 4.861 -2.165 5.427 741 HA MET 97 HA MET 97 7.249 -2.745 7.013 742 1HB MET 97 1HB MET 97 7.314 -1.573 4.222 743 2HB MET 97 2HB MET 97 8.677 -1.555 5.331 744 1HG MET 97 1HG MET 97 8.788 -3.959 5.312 745 2HG MET 97 2HG MET 97 7.328 -4.051 4.331 746 1HE MET 97 1HE MET 97 7.196 -3.229 1.801 747 2HE MET 97 2HE MET 97 8.548 -2.490 0.944 748 3HE MET 97 3HE MET 97 7.790 -1.646 2.295 749 H THR 98 H THR 98 8.554 -0.401 6.879 750 HA THR 98 HA THR 98 6.695 1.449 8.117 751 HB THR 98 HB THR 98 8.743 2.786 8.595 752 HG1 THR 98 HG1 THR 98 10.729 1.277 8.147 753 1HG2 THR 98 1HG2 THR 98 7.985 1.102 10.198 754 2HG2 THR 98 2HG2 THR 98 8.919 -0.134 9.354 755 3HG2 THR 98 3HG2 THR 98 9.747 1.190 10.172 756 H ASN 99 H ASN 99 6.854 3.811 7.523 757 HA ASN 99 HA ASN 99 6.200 4.321 4.886 758 1HB ASN 99 1HB ASN 99 7.104 6.040 7.147 759 2HB ASN 99 2HB ASN 99 7.071 6.748 5.537 760 1HD2 ASN 99 2HD2 ASN 99 5.434 8.174 6.165 761 2HD2 ASN 99 1HD2 ASN 99 3.798 7.637 6.348 762 H ALA 100 H ALA 100 9.359 4.651 6.448 763 HA ALA 100 HA ALA 100 10.707 5.736 4.229 764 1HB ALA 100 1HB ALA 100 11.852 4.109 6.494 765 2HB ALA 100 2HB ALA 100 12.753 5.168 5.407 766 3HB ALA 100 3HB ALA 100 11.568 5.850 6.523 767 H ALA 101 H ALA 101 10.535 2.388 5.427 768 HA ALA 101 HA ALA 101 12.188 1.273 3.445 769 1HB ALA 101 1HB ALA 101 11.682 0.139 5.547 770 2HB ALA 101 2HB ALA 101 10.006 -0.065 5.037 771 3HB ALA 101 3HB ALA 101 11.300 -0.880 4.159 772 H ALA 102 H ALA 102 8.670 1.665 3.616 773 HA ALA 102 HA ALA 102 8.039 0.172 1.322 774 1HB ALA 102 1HB ALA 102 6.378 0.816 3.001 775 2HB ALA 102 2HB ALA 102 6.524 2.500 2.496 776 3HB ALA 102 3HB ALA 102 5.885 1.296 1.376 777 H ALA 103 H ALA 103 8.786 3.608 1.735 778 HA ALA 103 HA ALA 103 8.106 4.466 -0.841 779 1HB ALA 103 1HB ALA 103 8.485 5.981 1.043 780 2HB ALA 103 2HB ALA 103 10.208 5.605 0.995 781 3HB ALA 103 3HB ALA 103 9.449 6.435 -0.364 782 H ARG 104 H ARG 104 11.192 3.246 0.426 783 HA ARG 104 HA ARG 104 12.550 3.762 -2.054 784 1HB ARG 104 1HB ARG 104 13.353 2.399 0.498 785 2HB ARG 104 2HB ARG 104 14.373 2.305 -0.932 786 1HG ARG 104 1HG ARG 104 15.186 4.083 0.417 787 2HG ARG 104 2HG ARG 104 14.397 4.805 -0.985 788 1HD ARG 104 1HD ARG 104 12.353 5.100 0.418 789 2HD ARG 104 2HD ARG 104 13.294 4.557 1.807 790 HE ARG 104 HE ARG 104 13.898 7.003 0.253 791 1HH1 ARG 104 1HH1 ARG 104 13.827 5.194 3.254 792 2HH1 ARG 104 2HH1 ARG 104 14.347 6.540 4.228 793 1HH2 ARG 104 1HH2 ARG 104 14.575 8.774 1.529 794 2HH2 ARG 104 2HH2 ARG 104 14.778 8.581 3.246 795 H THR 105 H THR 105 11.022 0.982 -0.544 796 HA THR 105 HA THR 105 11.878 -0.929 -2.459 797 HB THR 105 HB THR 105 9.324 -0.955 -0.832 798 HG1 THR 105 HG1 THR 105 10.981 -0.807 0.631 799 1HG2 THR 105 1HG2 THR 105 10.935 -3.206 -2.048 800 2HG2 THR 105 2HG2 THR 105 9.494 -3.392 -1.048 801 3HG2 THR 105 3HG2 THR 105 9.376 -2.620 -2.628 802 H TYR 106 H TYR 106 9.199 1.322 -2.253 803 HA TYR 106 HA TYR 106 7.698 0.497 -4.464 804 1HB TYR 106 1HB TYR 106 7.021 2.178 -2.720 805 2HB TYR 106 2HB TYR 106 8.097 3.335 -3.493 806 HD1 TYR 106 HD1 TYR 106 5.161 1.160 -4.187 807 HD2 TYR 106 HD2 TYR 106 7.290 4.700 -5.199 808 HE1 TYR 106 HE1 TYR 106 3.328 1.828 -5.677 809 HE2 TYR 106 HE2 TYR 106 5.461 5.377 -6.699 810 HH TYR 106 HH TYR 106 2.417 3.869 -6.655 811 H ASN 107 H ASN 107 10.384 2.772 -4.188 812 HA ASN 107 HA ASN 107 10.590 3.645 -6.805 813 1HB ASN 107 1HB ASN 107 11.971 4.712 -5.236 814 2HB ASN 107 2HB ASN 107 12.622 3.192 -4.636 815 1HD2 ASN 107 2HD2 ASN 107 14.365 2.290 -5.615 816 2HD2 ASN 107 1HD2 ASN 107 15.271 3.064 -6.869 817 H VAL 108 H VAL 108 11.879 0.686 -5.356 818 HA VAL 108 HA VAL 108 13.334 -0.152 -7.639 819 HB VAL 108 HB VAL 108 12.232 -1.836 -5.380 820 1HG1 VAL 108 1HG1 VAL 108 13.968 -3.444 -6.001 821 2HG1 VAL 108 2HG1 VAL 108 12.840 -3.176 -7.329 822 3HG1 VAL 108 3HG1 VAL 108 14.433 -2.421 -7.360 823 1HG2 VAL 108 1HG2 VAL 108 14.458 -1.617 -4.394 824 2HG2 VAL 108 2HG2 VAL 108 14.939 -0.545 -5.709 825 3HG2 VAL 108 3HG2 VAL 108 13.683 -0.043 -4.578 826 H LEU 109 H LEU 109 10.139 -1.091 -6.372 827 HA LEU 109 HA LEU 109 9.586 -2.954 -8.427 828 1HB LEU 109 1HB LEU 109 7.687 -1.450 -6.625 829 2HB LEU 109 2HB LEU 109 7.248 -2.823 -7.625 830 HG LEU 109 HG LEU 109 9.200 -2.873 -5.320 831 1HD1 LEU 109 1HD1 LEU 109 6.426 -4.018 -5.592 832 2HD1 LEU 109 2HD1 LEU 109 7.505 -4.232 -4.213 833 3HD1 LEU 109 3HD1 LEU 109 6.883 -2.628 -4.608 834 1HD2 LEU 109 1HD2 LEU 109 8.189 -5.109 -7.076 835 2HD2 LEU 109 2HD2 LEU 109 9.827 -4.455 -7.070 836 3HD2 LEU 109 3HD2 LEU 109 9.208 -5.296 -5.649 837 H ALA 110 H ALA 110 8.867 0.487 -8.070 838 HA ALA 110 HA ALA 110 7.212 0.710 -10.356 839 1HB ALA 110 1HB ALA 110 7.258 2.407 -8.592 840 2HB ALA 110 2HB ALA 110 8.908 2.831 -9.042 841 3HB ALA 110 3HB ALA 110 7.587 3.112 -10.174 842 H SER 111 H SER 111 10.663 0.629 -9.915 843 HA SER 111 HA SER 111 11.314 1.642 -12.512 844 1HB SER 111 1HB SER 111 12.967 0.051 -10.536 845 2HB SER 111 2HB SER 111 13.598 0.799 -12.004 846 HG SER 111 HG SER 111 12.544 2.047 -9.689 847 H GLU 112 H GLU 112 10.683 -1.530 -11.139 848 HA GLU 112 HA GLU 112 11.528 -3.029 -13.411 849 1HB GLU 112 1HB GLU 112 11.262 -4.054 -11.185 850 2HB GLU 112 2HB GLU 112 9.532 -3.748 -11.248 851 1HG GLU 112 1HG GLU 112 9.471 -5.191 -13.311 852 2HG GLU 112 2HG GLU 112 11.132 -5.649 -12.938 853 H GLY 113 H GLY 113 8.500 -1.555 -12.398 854 1HA GLY 113 1HA GLY 113 6.919 -0.754 -14.024 855 2HA GLY 113 2HA GLY 113 7.431 -2.048 -15.099 856 H ARG 114 H ARG 114 7.159 -3.127 -11.944 857 HA ARG 114 HA ARG 114 4.986 -4.850 -12.532 858 1HB ARG 114 1HB ARG 114 6.900 -5.233 -10.881 859 2HB ARG 114 2HB ARG 114 6.027 -4.181 -9.779 860 1HG ARG 114 1HG ARG 114 4.127 -5.716 -9.814 861 2HG ARG 114 2HG ARG 114 5.004 -6.768 -10.927 862 1HD ARG 114 1HD ARG 114 5.751 -6.087 -8.085 863 2HD ARG 114 2HD ARG 114 5.219 -7.652 -8.700 864 HE ARG 114 HE ARG 114 7.530 -6.826 -10.101 865 1HH1 ARG 114 1HH1 ARG 114 6.548 -8.053 -6.947 866 2HH1 ARG 114 2HH1 ARG 114 8.122 -8.688 -6.576 867 1HH2 ARG 114 1HH2 ARG 114 9.574 -7.659 -9.610 868 2HH2 ARG 114 2HH2 ARG 114 9.837 -8.492 -8.099 869 H ARG 115 H ARG 115 2.847 -4.729 -11.939 870 HA ARG 115 HA ARG 115 1.691 -2.188 -11.454 871 1HB ARG 115 1HB ARG 115 0.491 -3.929 -12.670 872 2HB ARG 115 2HB ARG 115 0.512 -4.968 -11.257 873 1HG ARG 115 1HG ARG 115 -1.667 -4.039 -11.478 874 2HG ARG 115 2HG ARG 115 -0.896 -3.299 -10.076 875 1HD ARG 115 1HD ARG 115 -0.436 -1.290 -11.324 876 2HD ARG 115 2HD ARG 115 -1.022 -2.037 -12.812 877 HE ARG 115 HE ARG 115 -3.085 -2.152 -10.933 878 1HH1 ARG 115 1HH1 ARG 115 -1.302 0.298 -12.723 879 2HH1 ARG 115 2HH1 ARG 115 -2.641 1.407 -12.758 880 1HH2 ARG 115 1HH2 ARG 115 -4.832 -0.688 -10.995 881 2HH2 ARG 115 2HH2 ARG 115 -4.632 0.856 -11.772 882 H VAL 116 H VAL 116 2.658 -1.394 -9.580 883 HA VAL 116 HA VAL 116 2.155 -2.876 -7.102 884 HB VAL 116 HB VAL 116 4.499 -2.375 -7.493 885 1HG1 VAL 116 1HG1 VAL 116 3.682 0.524 -7.540 886 2HG1 VAL 116 2HG1 VAL 116 5.338 -0.078 -7.545 887 3HG1 VAL 116 3HG1 VAL 116 4.275 -0.416 -8.910 888 1HG2 VAL 116 1HG2 VAL 116 3.341 -0.683 -5.282 889 2HG2 VAL 116 2HG2 VAL 116 3.743 -2.398 -5.188 890 3HG2 VAL 116 3HG2 VAL 116 5.023 -1.203 -5.401 891 H ALA 117 H ALA 117 0.943 -2.078 -5.516 892 HA ALA 117 HA ALA 117 -0.127 0.648 -5.840 893 1HB ALA 117 1HB ALA 117 -1.383 -1.720 -4.445 894 2HB ALA 117 2HB ALA 117 -2.080 -0.103 -4.563 895 3HB ALA 117 3HB ALA 117 -1.856 -1.076 -6.019 896 H LEU 118 H LEU 118 0.717 2.044 -4.435 897 HA LEU 118 HA LEU 118 2.019 1.060 -2.034 898 1HB LEU 118 1HB LEU 118 3.075 2.819 -3.436 899 2HB LEU 118 2HB LEU 118 1.735 3.887 -3.067 900 HG LEU 118 HG LEU 118 2.373 3.816 -0.669 901 1HD1 LEU 118 1HD1 LEU 118 4.757 2.273 -1.682 902 2HD1 LEU 118 2HD1 LEU 118 4.555 2.904 -0.047 903 3HD1 LEU 118 3HD1 LEU 118 3.474 1.646 -0.647 904 1HD2 LEU 118 1HD2 LEU 118 4.379 5.212 -0.885 905 2HD2 LEU 118 2HD2 LEU 118 4.569 4.678 -2.553 906 3HD2 LEU 118 3HD2 LEU 118 3.164 5.636 -2.089 907 H ALA 119 H ALA 119 0.401 0.395 -0.690 908 HA ALA 119 HA ALA 119 -1.761 2.196 0.006 909 1HB ALA 119 1HB ALA 119 -2.183 -0.224 -0.101 910 2HB ALA 119 2HB ALA 119 -1.014 -0.481 1.194 911 3HB ALA 119 3HB ALA 119 -2.497 0.422 1.511 912 H MET 120 H MET 120 -0.652 3.938 0.820 913 HA MET 120 HA MET 120 1.353 3.519 2.882 914 1HB MET 120 1HB MET 120 1.348 5.203 0.837 915 2HB MET 120 2HB MET 120 0.485 6.226 1.976 916 1HG MET 120 1HG MET 120 2.802 6.767 2.064 917 2HG MET 120 2HG MET 120 2.360 5.955 3.566 918 1HE MET 120 1HE MET 120 6.125 4.946 2.607 919 2HE MET 120 2HE MET 120 5.136 5.859 3.749 920 3HE MET 120 3HE MET 120 5.323 6.431 2.091 921 H ILE 121 H ILE 121 0.309 2.983 4.740 922 HA ILE 121 HA ILE 121 -1.914 4.617 5.672 923 HB ILE 121 HB ILE 121 -0.596 2.208 6.948 924 1HG1 ILE 121 1HG1 ILE 121 -3.181 2.500 5.400 925 2HG1 ILE 121 2HG1 ILE 121 -1.741 1.634 4.875 926 1HG2 ILE 121 1HG2 ILE 121 -2.554 2.174 8.434 927 2HG2 ILE 121 2HG2 ILE 121 -1.609 3.650 8.626 928 3HG2 ILE 121 3HG2 ILE 121 -3.119 3.681 7.715 929 1HD1 ILE 121 1HD1 ILE 121 -3.503 0.903 7.200 930 2HD1 ILE 121 2HD1 ILE 121 -3.453 0.104 5.630 931 3HD1 ILE 121 3HD1 ILE 121 -2.053 0.037 6.698 932 H VAL 122 H VAL 122 -1.071 6.565 6.218 933 HA VAL 122 HA VAL 122 1.340 6.675 7.844 934 HB VAL 122 HB VAL 122 -0.325 8.965 6.791 935 1HG1 VAL 122 1HG1 VAL 122 1.709 10.287 7.148 936 2HG1 VAL 122 2HG1 VAL 122 1.122 9.579 8.652 937 3HG1 VAL 122 3HG1 VAL 122 2.509 8.870 7.825 938 1HG2 VAL 122 1HG2 VAL 122 1.342 9.124 4.998 939 2HG2 VAL 122 2HG2 VAL 122 2.111 7.652 5.591 940 3HG2 VAL 122 3HG2 VAL 122 0.469 7.593 4.950 941 H GLY 123 H GLY 123 1.378 7.110 9.960 942 1HA GLY 123 1HA GLY 123 -1.186 7.584 11.308 943 2HA GLY 123 2HA GLY 123 0.257 6.917 12.064 944 H GLY 124 H GLY 124 0.333 8.418 13.733 945 1HA GLY 124 1HA GLY 124 1.617 10.377 14.351 946 2HA GLY 124 2HA GLY 124 1.065 11.142 12.866 947 H LEU 125 H LEU 125 -1.119 9.270 14.765 948 HA LEU 125 HA LEU 125 -2.514 11.754 15.515 949 1HB LEU 125 1HB LEU 125 -3.690 9.072 14.780 950 2HB LEU 125 2HB LEU 125 -4.612 10.463 15.316 951 HG LEU 125 HG LEU 125 -2.978 10.333 12.776 952 1HD1 LEU 125 1HD1 LEU 125 -5.960 10.222 13.216 953 2HD1 LEU 125 2HD1 LEU 125 -5.155 10.332 11.650 954 3HD1 LEU 125 3HD1 LEU 125 -4.934 8.902 12.655 955 1HD2 LEU 125 1HD2 LEU 125 -4.063 12.457 12.237 956 2HD2 LEU 125 2HD2 LEU 125 -4.854 12.457 13.813 957 3HD2 LEU 125 3HD2 LEU 125 -3.099 12.588 13.708 958 H GLU 126 H GLU 126 -0.891 9.090 16.703 959 HA GLU 126 HA GLU 126 -2.574 8.578 18.983 960 1HB GLU 126 1HB GLU 126 0.297 7.768 18.993 961 2HB GLU 126 2HB GLU 126 -1.110 6.897 19.572 962 1HG GLU 126 1HG GLU 126 -0.575 5.641 17.756 963 2HG GLU 126 2HG GLU 126 -1.693 6.786 17.013 964 H HIS 127 H HIS 127 -2.643 10.928 19.552 965 HA HIS 127 HA HIS 127 -0.284 11.930 20.919 966 1HB HIS 127 1HB HIS 127 -1.686 13.510 19.671 967 2HB HIS 127 2HB HIS 127 -3.070 13.096 20.676 968 HD1 HIS 127 HD1 HIS 127 -3.523 14.851 22.343 969 HD2 HIS 127 HD2 HIS 127 0.546 14.495 21.548 970 HE1 HIS 127 HE1 HIS 127 -2.391 16.570 23.790 971 HE2 HIS 127 HE2 HIS 127 0.022 16.518 23.072 972 H HIS 128 H HIS 128 0.005 10.430 22.574 973 HA HIS 128 HA HIS 128 -2.168 10.248 24.540 974 1HB HIS 128 1HB HIS 128 0.296 8.517 24.258 975 2HB HIS 128 2HB HIS 128 -0.975 8.299 25.452 976 HD1 HIS 128 HD1 HIS 128 0.011 6.400 22.933 977 HD2 HIS 128 HD2 HIS 128 -3.545 8.515 23.397 978 HE1 HIS 128 HE1 HIS 128 -1.664 5.258 21.439 979 HE2 HIS 128 HE2 HIS 128 -3.838 6.481 21.825 980 H HIS 129 H HIS 129 -1.871 12.184 25.552 981 HA HIS 129 HA HIS 129 -1.113 13.599 27.147 982 1HB HIS 129 1HB HIS 129 0.772 11.328 27.792 983 2HB HIS 129 2HB HIS 129 0.649 12.800 28.744 984 HD1 HIS 129 HD1 HIS 129 -1.073 12.841 30.532 985 HD2 HIS 129 HD2 HIS 129 -1.678 9.737 27.828 986 HE1 HIS 129 HE1 HIS 129 -2.903 11.421 31.524 987 HE2 HIS 129 HE2 HIS 129 -3.359 9.641 29.796 988 H HIS 130 H HIS 130 0.162 15.361 27.108 989 HA HIS 130 HA HIS 130 2.532 15.326 25.411 990 1HB HIS 130 1HB HIS 130 1.013 17.284 25.305 991 2HB HIS 130 2HB HIS 130 1.320 17.607 27.007 992 HD1 HIS 130 HD1 HIS 130 3.145 17.582 23.672 993 HD2 HIS 130 HD2 HIS 130 3.507 19.174 27.500 994 HE1 HIS 130 HE1 HIS 130 5.102 19.154 23.574 995 HE2 HIS 130 HE2 HIS 130 5.424 19.942 25.943 996 H HIS 131 H HIS 131 3.210 13.604 27.038 997 HA HIS 131 HA HIS 131 4.300 14.720 29.516 998 1HB HIS 131 1HB HIS 131 2.912 12.586 29.468 999 2HB HIS 131 2HB HIS 131 4.274 11.821 28.656 1000 HD1 HIS 131 HD1 HIS 131 5.428 10.391 30.312 1001 HD2 HIS 131 HD2 HIS 131 4.215 14.015 31.960 1002 HE1 HIS 131 HE1 HIS 131 6.269 10.380 32.684 1003 HE2 HIS 131 HE2 HIS 131 5.739 12.680 33.565 1004 H HIS 132 H HIS 132 5.456 15.476 27.070 1005 HA HIS 132 HA HIS 132 8.190 14.838 27.572 1006 1HB HIS 132 1HB HIS 132 8.698 13.978 25.301 1007 2HB HIS 132 2HB HIS 132 7.668 12.882 26.209 1008 HD1 HIS 132 HD1 HIS 132 7.905 14.670 23.042 1009 HD2 HIS 132 HD2 HIS 132 4.883 12.964 25.338 1010 HE1 HIS 132 HE1 HIS 132 5.929 14.439 21.503 1011 HE2 HIS 132 HE2 HIS 132 4.162 13.273 22.868 Start of MODEL 17 1 1H MET 1 1HT MET 1 -2.911 16.024 -32.054 2 2H MET 1 2HT MET 1 -1.234 16.088 -32.315 3 3H MET 1 3HT MET 1 -1.942 17.019 -31.088 4 HA MET 1 HA MET 1 -2.576 15.049 -29.886 5 1HB MET 1 1HB MET 1 -1.009 13.558 -32.006 6 2HB MET 1 2HB MET 1 -1.781 12.857 -30.592 7 1HG MET 1 1HG MET 1 -3.192 12.351 -32.380 8 2HG MET 1 2HG MET 1 -3.970 13.698 -31.552 9 1HE MET 1 1HE MET 1 -4.738 12.771 -34.500 10 2HE MET 1 2HE MET 1 -4.886 14.332 -35.305 11 3HE MET 1 3HE MET 1 -5.510 14.121 -33.669 12 HA PRO 2 HA PRO 2 1.353 16.177 -28.091 13 1HB PRO 2 1HB PRO 2 0.461 14.423 -25.888 14 2HB PRO 2 2HB PRO 2 0.903 16.133 -25.854 15 1HG PRO 2 1HG PRO 2 -1.646 15.343 -25.606 16 2HG PRO 2 2HG PRO 2 -1.212 16.829 -26.475 17 1HD PRO 2 1HD PRO 2 -1.962 14.144 -27.570 18 2HD PRO 2 2HD PRO 2 -2.416 15.762 -28.143 19 H LEU 3 H LEU 3 0.359 12.898 -27.097 20 HA LEU 3 HA LEU 3 1.514 10.948 -26.953 21 1HB LEU 3 1HB LEU 3 1.292 11.457 -29.541 22 2HB LEU 3 2HB LEU 3 3.029 11.653 -29.439 23 HG LEU 3 HG LEU 3 2.321 9.401 -30.204 24 1HD1 LEU 3 1HD1 LEU 3 4.494 9.675 -29.151 25 2HD1 LEU 3 2HD1 LEU 3 3.769 9.421 -27.563 26 3HD1 LEU 3 3HD1 LEU 3 3.788 8.111 -28.745 27 1HD2 LEU 3 1HD2 LEU 3 1.217 9.150 -27.414 28 2HD2 LEU 3 2HD2 LEU 3 0.282 9.193 -28.909 29 3HD2 LEU 3 3HD2 LEU 3 1.365 7.840 -28.585 30 H ASN 4 H ASN 4 2.554 12.084 -25.111 31 HA ASN 4 HA ASN 4 5.354 12.774 -25.652 32 1HB ASN 4 1HB ASN 4 3.431 13.742 -23.557 33 2HB ASN 4 2HB ASN 4 5.169 13.889 -23.323 34 1HD2 ASN 4 2HD2 ASN 4 5.105 16.119 -23.347 35 2HD2 ASN 4 1HD2 ASN 4 4.834 17.025 -24.795 36 H GLN 5 H GLN 5 6.091 10.638 -25.581 37 HA GLN 5 HA GLN 5 6.207 9.428 -22.917 38 1HB GLN 5 1HB GLN 5 7.359 8.540 -25.573 39 2HB GLN 5 2HB GLN 5 7.585 7.675 -24.060 40 1HG GLN 5 1HG GLN 5 5.122 7.419 -23.908 41 2HG GLN 5 2HG GLN 5 4.993 8.149 -25.508 42 1HE2 GLN 5 2HE2 GLN 5 6.031 5.378 -23.699 43 2HE2 GLN 5 1HE2 GLN 5 6.203 4.298 -25.043 44 H GLU 6 H GLU 6 7.754 11.581 -24.965 45 HA GLU 6 HA GLU 6 10.401 11.615 -24.213 46 1HB GLU 6 1HB GLU 6 9.374 13.104 -25.891 47 2HB GLU 6 2HB GLU 6 8.540 13.969 -24.610 48 1HG GLU 6 1HG GLU 6 10.593 14.811 -23.745 49 2HG GLU 6 2HG GLU 6 11.529 13.786 -24.833 50 H HIS 7 H HIS 7 11.539 12.594 -22.498 51 HA HIS 7 HA HIS 7 10.249 12.039 -20.017 52 1HB HIS 7 1HB HIS 7 12.993 13.167 -20.586 53 2HB HIS 7 2HB HIS 7 12.432 12.629 -19.006 54 HD1 HIS 7 HD1 HIS 7 12.363 10.115 -18.562 55 HD2 HIS 7 HD2 HIS 7 13.476 11.091 -22.450 56 HE1 HIS 7 HE1 HIS 7 13.197 7.976 -19.591 57 HE2 HIS 7 HE2 HIS 7 13.635 8.551 -22.007 58 HA PRO 8 HA PRO 8 9.074 16.301 -19.330 59 1HB PRO 8 1HB PRO 8 6.877 15.739 -17.909 60 2HB PRO 8 2HB PRO 8 6.931 15.473 -19.653 61 1HG PRO 8 1HG PRO 8 6.974 13.507 -17.450 62 2HG PRO 8 2HG PRO 8 6.448 13.306 -19.128 63 1HD PRO 8 1HD PRO 8 8.975 12.589 -17.956 64 2HD PRO 8 2HD PRO 8 8.442 12.368 -19.634 65 H ASP 9 H ASP 9 7.667 16.698 -16.848 66 HA ASP 9 HA ASP 9 9.891 17.054 -15.087 67 1HB ASP 9 1HB ASP 9 8.127 18.725 -15.154 68 2HB ASP 9 2HB ASP 9 6.927 17.522 -14.691 69 H TYR 10 H TYR 10 10.305 16.061 -13.142 70 HA TYR 10 HA TYR 10 9.084 13.438 -12.766 71 1HB TYR 10 1HB TYR 10 11.468 14.712 -11.394 72 2HB TYR 10 2HB TYR 10 10.924 13.055 -11.160 73 HD1 TYR 10 HD1 TYR 10 11.539 11.341 -12.682 74 HD2 TYR 10 HD2 TYR 10 12.369 15.405 -13.632 75 HE1 TYR 10 HE1 TYR 10 12.938 10.611 -14.569 76 HE2 TYR 10 HE2 TYR 10 13.770 14.685 -15.519 77 HH TYR 10 HH TYR 10 13.895 11.343 -16.540 78 H THR 11 H THR 11 7.082 14.550 -12.173 79 HA THR 11 HA THR 11 6.896 16.275 -9.949 80 HB THR 11 HB THR 11 4.673 14.588 -11.107 81 HG1 THR 11 HG1 THR 11 6.092 16.785 -12.132 82 1HG2 THR 11 1HG2 THR 11 4.105 15.791 -9.051 83 2HG2 THR 11 2HG2 THR 11 4.676 17.298 -9.767 84 3HG2 THR 11 3HG2 THR 11 3.264 16.483 -10.438 85 H TYR 12 H TYR 12 6.149 12.808 -10.309 86 HA TYR 12 HA TYR 12 5.330 12.596 -7.560 87 1HB TYR 12 1HB TYR 12 5.771 10.461 -9.657 88 2HB TYR 12 2HB TYR 12 5.089 10.176 -8.059 89 HD1 TYR 12 HD1 TYR 12 4.443 11.337 -11.429 90 HD2 TYR 12 HD2 TYR 12 2.866 11.146 -7.481 91 HE1 TYR 12 HE1 TYR 12 2.200 11.831 -12.307 92 HE2 TYR 12 HE2 TYR 12 0.619 11.637 -8.349 93 HH TYR 12 HH TYR 12 -0.136 11.528 -11.673 94 H ALA 13 H ALA 13 7.047 13.084 -6.263 95 HA ALA 13 HA ALA 13 9.091 11.008 -6.084 96 1HB ALA 13 1HB ALA 13 9.752 13.954 -6.117 97 2HB ALA 13 2HB ALA 13 10.888 12.637 -5.824 98 3HB ALA 13 3HB ALA 13 10.117 12.803 -7.402 99 H LEU 14 H LEU 14 9.919 10.719 -4.011 100 HA LEU 14 HA LEU 14 8.400 12.067 -1.891 101 1HB LEU 14 1HB LEU 14 9.756 9.379 -1.990 102 2HB LEU 14 2HB LEU 14 9.283 10.118 -0.476 103 HG LEU 14 HG LEU 14 7.605 8.538 -1.063 104 1HD1 LEU 14 1HD1 LEU 14 6.621 11.311 -1.702 105 2HD1 LEU 14 2HD1 LEU 14 5.612 9.939 -1.243 106 3HD1 LEU 14 3HD1 LEU 14 6.777 10.600 -0.096 107 1HD2 LEU 14 1HD2 LEU 14 8.077 8.311 -3.435 108 2HD2 LEU 14 2HD2 LEU 14 6.361 8.618 -3.169 109 3HD2 LEU 14 3HD2 LEU 14 7.412 9.916 -3.738 110 H ARG 15 H ARG 15 9.644 13.883 -1.588 111 HA ARG 15 HA ARG 15 12.472 13.491 -0.976 112 1HB ARG 15 1HB ARG 15 12.312 16.118 -0.785 113 2HB ARG 15 2HB ARG 15 12.436 15.316 -2.340 114 1HG ARG 15 1HG ARG 15 10.786 16.916 -2.649 115 2HG ARG 15 2HG ARG 15 9.888 15.422 -2.401 116 1HD ARG 15 1HD ARG 15 9.466 16.042 -0.085 117 2HD ARG 15 2HD ARG 15 10.414 17.517 -0.295 118 HE ARG 15 HE ARG 15 8.155 17.131 -2.089 119 1HH1 ARG 15 1HH1 ARG 15 9.392 18.722 0.788 120 2HH1 ARG 15 2HH1 ARG 15 8.191 19.976 0.745 121 1HH2 ARG 15 1HH2 ARG 15 6.618 18.769 -2.150 122 2HH2 ARG 15 2HH2 ARG 15 6.594 19.999 -0.917 123 H ALA 16 H ALA 16 9.832 13.091 0.681 124 HA ALA 16 HA ALA 16 11.197 13.320 3.175 125 1HB ALA 16 1HB ALA 16 9.586 14.765 4.308 126 2HB ALA 16 2HB ALA 16 10.382 15.625 2.989 127 3HB ALA 16 3HB ALA 16 8.736 15.026 2.785 128 H ALA 17 H ALA 17 10.817 11.248 3.693 129 HA ALA 17 HA ALA 17 8.010 10.355 3.724 130 1HB ALA 17 1HB ALA 17 8.726 8.125 3.059 131 2HB ALA 17 2HB ALA 17 9.186 9.318 1.844 132 3HB ALA 17 3HB ALA 17 10.397 8.679 2.956 133 H ASP 18 H ASP 18 7.495 10.306 5.789 134 HA ASP 18 HA ASP 18 9.227 8.781 7.628 135 1HB ASP 18 1HB ASP 18 7.482 11.181 8.246 136 2HB ASP 18 2HB ASP 18 8.199 10.150 9.476 137 H GLY 19 H GLY 19 7.909 7.836 9.468 138 1HA GLY 19 1HA GLY 19 5.482 6.646 8.488 139 2HA GLY 19 2HA GLY 19 6.154 6.473 10.106 140 H ARG 20 H ARG 20 6.218 9.607 9.883 141 HA ARG 20 HA ARG 20 3.467 9.953 10.876 142 1HB ARG 20 1HB ARG 20 6.030 11.302 11.726 143 2HB ARG 20 2HB ARG 20 4.433 11.809 12.262 144 1HG ARG 20 1HG ARG 20 4.091 9.841 13.480 145 2HG ARG 20 2HG ARG 20 5.408 9.003 12.658 146 1HD ARG 20 1HD ARG 20 5.751 11.365 14.500 147 2HD ARG 20 2HD ARG 20 5.968 9.680 14.974 148 HE ARG 20 HE ARG 20 7.623 11.049 12.939 149 1HH1 ARG 20 1HH1 ARG 20 7.233 8.772 15.581 150 2HH1 ARG 20 2HH1 ARG 20 8.903 8.278 15.570 151 1HH2 ARG 20 1HH2 ARG 20 9.820 10.392 12.915 152 2HH2 ARG 20 2HH2 ARG 20 10.370 9.199 14.050 153 H HIS 21 H HIS 21 5.683 10.895 8.486 154 HA HIS 21 HA HIS 21 3.876 13.018 7.602 155 1HB HIS 21 1HB HIS 21 6.873 13.363 7.808 156 2HB HIS 21 2HB HIS 21 5.787 14.481 7.001 157 HD1 HIS 21 HD1 HIS 21 7.552 14.209 10.026 158 HD2 HIS 21 HD2 HIS 21 3.667 15.338 9.053 159 HE1 HIS 21 HE1 HIS 21 6.718 15.547 11.988 160 HE2 HIS 21 HE2 HIS 21 4.310 16.070 11.450 161 H ALA 22 H ALA 22 3.672 13.127 5.407 162 HA ALA 22 HA ALA 22 5.541 11.636 3.732 163 1HB ALA 22 1HB ALA 22 3.770 10.033 4.271 164 2HB ALA 22 2HB ALA 22 2.560 11.164 3.664 165 3HB ALA 22 3HB ALA 22 3.747 10.466 2.561 166 H LYS 23 H LYS 23 6.171 13.017 2.222 167 HA LYS 23 HA LYS 23 4.222 15.019 1.291 168 1HB LYS 23 1HB LYS 23 7.238 15.208 1.296 169 2HB LYS 23 2HB LYS 23 6.130 16.455 0.740 170 1HG LYS 23 1HG LYS 23 5.206 16.609 3.017 171 2HG LYS 23 2HG LYS 23 6.391 15.417 3.553 172 1HD LYS 23 1HD LYS 23 8.178 16.972 2.711 173 2HD LYS 23 2HD LYS 23 6.913 18.180 2.476 174 1HE LYS 23 1HE LYS 23 6.352 18.057 4.850 175 2HE LYS 23 2HE LYS 23 7.603 16.839 5.087 176 1HZ LYS 23 1HZ LYS 23 9.182 18.583 4.179 177 2HZ LYS 23 2HZ LYS 23 7.935 19.701 4.427 178 3HZ LYS 23 3HZ LYS 23 8.575 18.838 5.743 179 H VAL 24 H VAL 24 3.343 13.880 -0.373 180 HA VAL 24 HA VAL 24 5.065 12.793 -2.453 181 HB VAL 24 HB VAL 24 2.043 12.975 -2.413 182 1HG1 VAL 24 1HG1 VAL 24 3.916 11.302 -4.086 183 2HG1 VAL 24 2HG1 VAL 24 2.155 11.203 -4.109 184 3HG1 VAL 24 3HG1 VAL 24 2.963 12.677 -4.643 185 1HG2 VAL 24 1HG2 VAL 24 2.816 11.663 -0.516 186 2HG2 VAL 24 2HG2 VAL 24 2.068 10.619 -1.725 187 3HG2 VAL 24 3HG2 VAL 24 3.825 10.686 -1.584 188 H ASN 25 H ASN 25 5.946 14.232 -3.768 189 HA ASN 25 HA ASN 25 6.232 15.960 -5.216 190 1HB ASN 25 1HB ASN 25 4.138 15.285 -6.305 191 2HB ASN 25 2HB ASN 25 3.214 16.205 -5.131 192 1HD2 ASN 25 2HD2 ASN 25 2.272 17.513 -6.668 193 2HD2 ASN 25 1HD2 ASN 25 3.149 18.736 -7.521 194 H GLU 26 H GLU 26 3.418 17.098 -3.387 195 HA GLU 26 HA GLU 26 5.099 19.006 -1.963 196 1HB GLU 26 1HB GLU 26 4.477 20.240 -3.958 197 2HB GLU 26 2HB GLU 26 2.782 19.840 -3.716 198 1HG GLU 26 1HG GLU 26 3.168 22.106 -3.042 199 2HG GLU 26 2HG GLU 26 2.800 21.134 -1.621 200 H GLN 27 H GLN 27 1.911 17.567 -2.438 201 HA GLN 27 HA GLN 27 0.751 18.757 -0.135 202 1HB GLN 27 1HB GLN 27 -0.559 17.911 -2.079 203 2HB GLN 27 2HB GLN 27 -0.149 16.269 -1.600 204 1HG GLN 27 1HG GLN 27 -1.302 16.602 0.529 205 2HG GLN 27 2HG GLN 27 -1.715 18.245 0.046 206 1HE2 GLN 27 2HE2 GLN 27 -1.727 15.532 -2.156 207 2HE2 GLN 27 1HE2 GLN 27 -3.444 15.469 -2.382 208 H ILE 28 H ILE 28 1.281 18.330 1.877 209 HA ILE 28 HA ILE 28 2.579 15.881 2.654 210 HB ILE 28 HB ILE 28 1.444 18.045 4.438 211 1HG1 ILE 28 1HG1 ILE 28 4.269 17.757 3.392 212 2HG1 ILE 28 2HG1 ILE 28 3.093 18.917 2.782 213 1HG2 ILE 28 1HG2 ILE 28 3.059 17.192 6.079 214 2HG2 ILE 28 2HG2 ILE 28 1.898 15.954 5.598 215 3HG2 ILE 28 3HG2 ILE 28 3.535 15.929 4.943 216 1HD1 ILE 28 1HD1 ILE 28 3.015 19.993 4.967 217 2HD1 ILE 28 2HD1 ILE 28 4.179 18.823 5.588 218 3HD1 ILE 28 3HD1 ILE 28 4.658 19.956 4.325 219 H LEU 29 H LEU 29 1.331 14.115 2.565 220 HA LEU 29 HA LEU 29 -1.480 14.287 3.265 221 1HB LEU 29 1HB LEU 29 0.205 12.072 2.113 222 2HB LEU 29 2HB LEU 29 -1.487 11.873 2.529 223 HG LEU 29 HG LEU 29 -0.473 13.903 0.537 224 1HD1 LEU 29 1HD1 LEU 29 -1.713 11.196 0.058 225 2HD1 LEU 29 2HD1 LEU 29 -1.353 12.400 -1.180 226 3HD1 LEU 29 3HD1 LEU 29 -0.040 11.646 -0.273 227 1HD2 LEU 29 1HD2 LEU 29 -2.826 14.053 -0.103 228 2HD2 LEU 29 2HD2 LEU 29 -3.248 12.902 1.165 229 3HD2 LEU 29 3HD2 LEU 29 -2.596 14.483 1.592 230 H GLN 30 H GLN 30 -1.597 14.495 5.437 231 HA GLN 30 HA GLN 30 -0.338 12.529 7.173 232 1HB GLN 30 1HB GLN 30 -1.511 13.831 8.982 233 2HB GLN 30 2HB GLN 30 -0.371 14.766 8.026 234 1HG GLN 30 1HG GLN 30 -2.153 15.782 6.786 235 2HG GLN 30 2HG GLN 30 -3.344 14.737 7.559 236 1HE2 GLN 30 2HE2 GLN 30 -3.950 15.140 9.674 237 2HE2 GLN 30 1HE2 GLN 30 -3.608 16.639 10.468 238 H GLN 31 H GLN 31 -2.066 11.453 5.303 239 HA GLN 31 HA GLN 31 -4.286 10.465 6.953 240 1HB GLN 31 1HB GLN 31 -4.491 11.174 4.013 241 2HB GLN 31 2HB GLN 31 -5.780 10.534 5.022 242 1HG GLN 31 1HG GLN 31 -5.791 12.564 6.343 243 2HG GLN 31 2HG GLN 31 -4.444 13.203 5.403 244 1HE2 GLN 31 2HE2 GLN 31 -5.579 14.985 4.705 245 2HE2 GLN 31 1HE2 GLN 31 -6.871 14.887 3.561 246 H SER 32 H SER 32 -5.298 8.719 4.986 247 HA SER 32 HA SER 32 -2.987 6.988 4.427 248 1HB SER 32 1HB SER 32 -4.650 6.085 6.089 249 2HB SER 32 2HB SER 32 -5.856 6.103 4.804 250 HG SER 32 HG SER 32 -4.353 4.137 5.318 251 H PHE 33 H PHE 33 -2.689 6.345 2.350 252 HA PHE 33 HA PHE 33 -4.783 6.820 0.387 253 1HB PHE 33 1HB PHE 33 -3.330 8.207 -1.040 254 2HB PHE 33 2HB PHE 33 -3.663 8.986 0.501 255 HD1 PHE 33 HD1 PHE 33 -1.895 9.048 2.254 256 HD2 PHE 33 HD2 PHE 33 -1.126 7.669 -1.700 257 HE1 PHE 33 HE1 PHE 33 0.518 9.346 2.623 258 HE2 PHE 33 HE2 PHE 33 1.289 7.964 -1.336 259 HZ PHE 33 HZ PHE 33 2.114 8.803 0.827 260 H ILE 34 H ILE 34 -4.144 6.056 -1.791 261 HA ILE 34 HA ILE 34 -2.296 3.765 -1.573 262 HB ILE 34 HB ILE 34 -4.597 4.020 -3.514 263 1HG1 ILE 34 1HG1 ILE 34 -4.518 2.396 -0.963 264 2HG1 ILE 34 2HG1 ILE 34 -5.351 3.940 -1.119 265 1HG2 ILE 34 1HG2 ILE 34 -4.255 1.612 -3.819 266 2HG2 ILE 34 2HG2 ILE 34 -2.811 2.536 -4.234 267 3HG2 ILE 34 3HG2 ILE 34 -2.892 1.670 -2.700 268 1HD1 ILE 34 1HD1 ILE 34 -5.964 1.439 -2.674 269 2HD1 ILE 34 2HD1 ILE 34 -6.892 2.079 -1.317 270 3HD1 ILE 34 3HD1 ILE 34 -6.802 2.983 -2.829 271 H LEU 35 H LEU 35 -0.440 4.246 -2.542 272 HA LEU 35 HA LEU 35 -0.485 5.957 -4.935 273 1HB LEU 35 1HB LEU 35 0.879 6.793 -3.104 274 2HB LEU 35 2HB LEU 35 1.748 5.275 -3.020 275 HG LEU 35 HG LEU 35 2.701 5.703 -5.254 276 1HD1 LEU 35 1HD1 LEU 35 1.314 8.370 -5.029 277 2HD1 LEU 35 2HD1 LEU 35 2.460 7.896 -6.283 278 3HD1 LEU 35 3HD1 LEU 35 0.901 7.081 -6.160 279 1HD2 LEU 35 1HD2 LEU 35 4.206 7.510 -4.582 280 2HD2 LEU 35 2HD2 LEU 35 3.107 7.937 -3.269 281 3HD2 LEU 35 3HD2 LEU 35 3.928 6.377 -3.260 282 H MET 36 H MET 36 -0.203 5.017 -6.840 283 HA MET 36 HA MET 36 1.337 2.506 -6.951 284 1HB MET 36 1HB MET 36 -1.118 3.222 -8.574 285 2HB MET 36 2HB MET 36 -0.152 1.768 -8.782 286 1HG MET 36 1HG MET 36 -0.736 1.074 -6.502 287 2HG MET 36 2HG MET 36 -1.738 2.514 -6.334 288 1HE MET 36 1HE MET 36 -1.277 -0.941 -8.115 289 2HE MET 36 2HE MET 36 -1.260 0.176 -9.479 290 3HE MET 36 3HE MET 36 -2.610 -0.939 -9.270 291 HA PRO 37 HA PRO 37 3.692 4.516 -10.175 292 1HB PRO 37 1HB PRO 37 3.999 1.945 -11.539 293 2HB PRO 37 2HB PRO 37 5.216 2.915 -10.706 294 1HG PRO 37 1HG PRO 37 4.343 0.563 -9.726 295 2HG PRO 37 2HG PRO 37 4.821 1.909 -8.674 296 1HD PRO 37 1HD PRO 37 2.071 1.030 -9.491 297 2HD PRO 37 2HD PRO 37 2.665 1.518 -7.889 298 H ASP 38 H ASP 38 0.805 4.338 -10.523 299 HA ASP 38 HA ASP 38 0.662 4.469 -13.431 300 1HB ASP 38 1HB ASP 38 -0.035 2.180 -12.881 301 2HB ASP 38 2HB ASP 38 -1.209 2.802 -11.727 302 H GLU 39 H GLU 39 -1.615 4.506 -10.686 303 HA GLU 39 HA GLU 39 -1.969 7.379 -11.107 304 1HB GLU 39 1HB GLU 39 -4.194 5.355 -10.833 305 2HB GLU 39 2HB GLU 39 -4.427 7.083 -10.618 306 1HG GLU 39 1HG GLU 39 -3.544 7.395 -12.941 307 2HG GLU 39 2HG GLU 39 -3.595 5.642 -13.120 308 H LEU 40 H LEU 40 -3.629 8.047 -9.147 309 HA LEU 40 HA LEU 40 -2.461 6.940 -6.694 310 1HB LEU 40 1HB LEU 40 -1.162 8.895 -7.148 311 2HB LEU 40 2HB LEU 40 -2.590 9.833 -7.529 312 HG LEU 40 HG LEU 40 -3.280 9.683 -5.141 313 1HD1 LEU 40 1HD1 LEU 40 -2.109 7.641 -4.533 314 2HD1 LEU 40 2HD1 LEU 40 -0.558 8.444 -4.774 315 3HD1 LEU 40 3HD1 LEU 40 -1.633 8.975 -3.482 316 1HD2 LEU 40 1HD2 LEU 40 -1.622 11.281 -4.315 317 2HD2 LEU 40 2HD2 LEU 40 -0.551 10.858 -5.651 318 3HD2 LEU 40 3HD2 LEU 40 -2.099 11.638 -5.975 319 H VAL 41 H VAL 41 -3.985 6.397 -5.289 320 HA VAL 41 HA VAL 41 -6.627 7.653 -5.463 321 HB VAL 41 HB VAL 41 -5.752 5.385 -3.660 322 1HG1 VAL 41 1HG1 VAL 41 -7.706 6.582 -2.847 323 2HG1 VAL 41 2HG1 VAL 41 -8.495 6.385 -4.412 324 3HG1 VAL 41 3HG1 VAL 41 -8.155 4.973 -3.412 325 1HG2 VAL 41 1HG2 VAL 41 -7.180 5.259 -6.315 326 2HG2 VAL 41 2HG2 VAL 41 -5.533 4.718 -5.993 327 3HG2 VAL 41 3HG2 VAL 41 -6.894 3.892 -5.236 328 H GLU 42 H GLU 42 -6.599 9.569 -4.485 329 HA GLU 42 HA GLU 42 -4.804 10.100 -2.285 330 1HB GLU 42 1HB GLU 42 -5.172 11.728 -4.122 331 2HB GLU 42 2HB GLU 42 -6.846 11.896 -3.612 332 1HG GLU 42 1HG GLU 42 -6.035 12.722 -1.418 333 2HG GLU 42 2HG GLU 42 -4.392 12.672 -2.055 334 H HIS 43 H HIS 43 -8.206 9.509 -2.781 335 HA HIS 43 HA HIS 43 -8.701 10.104 0.058 336 1HB HIS 43 1HB HIS 43 -10.064 11.457 -1.437 337 2HB HIS 43 2HB HIS 43 -10.645 10.013 -2.258 338 HD1 HIS 43 HD1 HIS 43 -10.623 11.237 1.367 339 HD2 HIS 43 HD2 HIS 43 -13.112 9.376 -1.401 340 HE1 HIS 43 HE1 HIS 43 -12.810 10.866 2.555 341 HE2 HIS 43 HE2 HIS 43 -14.361 9.971 0.780 342 H TRP 44 H TRP 44 -8.354 8.272 1.134 343 HA TRP 44 HA TRP 44 -10.154 6.040 0.523 344 1HB TRP 44 1HB TRP 44 -7.840 5.498 -0.295 345 2HB TRP 44 2HB TRP 44 -7.266 5.669 1.360 346 HD1 TRP 44 HD1 TRP 44 -10.339 3.718 -0.019 347 HE1 TRP 44 HE1 TRP 44 -10.176 1.288 0.825 348 HE3 TRP 44 HE3 TRP 44 -5.878 4.022 2.464 349 HZ2 TRP 44 HZ2 TRP 44 -8.383 -0.287 2.332 350 HZ3 TRP 44 HZ3 TRP 44 -5.008 2.007 3.575 351 HH2 TRP 44 HH2 TRP 44 -6.237 -0.103 3.511 352 HA PRO 45 HA PRO 45 -10.978 7.399 4.686 353 1HB PRO 45 1HB PRO 45 -13.255 5.580 4.613 354 2HB PRO 45 2HB PRO 45 -13.235 7.343 4.663 355 1HG PRO 45 1HG PRO 45 -14.024 5.960 2.477 356 2HG PRO 45 2HG PRO 45 -13.226 7.539 2.372 357 1HD PRO 45 1HD PRO 45 -12.062 4.801 1.993 358 2HD PRO 45 2HD PRO 45 -11.800 6.278 1.038 359 H VAL 46 H VAL 46 -8.952 5.775 4.976 360 HA VAL 46 HA VAL 46 -9.864 4.111 7.220 361 HB VAL 46 HB VAL 46 -7.664 3.261 5.315 362 1HG1 VAL 46 1HG1 VAL 46 -7.603 1.200 6.644 363 2HG1 VAL 46 2HG1 VAL 46 -7.199 2.616 7.616 364 3HG1 VAL 46 3HG1 VAL 46 -8.797 1.882 7.748 365 1HG2 VAL 46 1HG2 VAL 46 -9.864 2.932 4.319 366 2HG2 VAL 46 2HG2 VAL 46 -9.132 1.385 4.742 367 3HG2 VAL 46 3HG2 VAL 46 -10.400 2.067 5.760 368 HA PRO 47 HA PRO 47 -6.861 7.338 8.479 369 1HB PRO 47 1HB PRO 47 -8.219 7.092 11.071 370 2HB PRO 47 2HB PRO 47 -8.018 8.511 10.042 371 1HG PRO 47 1HG PRO 47 -10.404 7.306 10.356 372 2HG PRO 47 2HG PRO 47 -9.926 8.064 8.825 373 1HD PRO 47 1HD PRO 47 -9.924 5.167 9.590 374 2HD PRO 47 2HD PRO 47 -10.426 5.929 8.064 375 H SER 48 H SER 48 -7.769 4.427 10.264 376 HA SER 48 HA SER 48 -5.008 3.933 10.943 377 1HB SER 48 1HB SER 48 -5.866 5.468 12.753 378 2HB SER 48 2HB SER 48 -7.045 4.226 13.169 379 HG SER 48 HG SER 48 -4.362 4.372 13.727 380 H LEU 49 H LEU 49 -5.156 1.894 12.622 381 HA LEU 49 HA LEU 49 -6.384 -0.174 11.074 382 1HB LEU 49 1HB LEU 49 -5.054 -0.304 13.781 383 2HB LEU 49 2HB LEU 49 -5.529 -1.692 12.824 384 HG LEU 49 HG LEU 49 -3.376 0.316 12.172 385 1HD1 LEU 49 1HD1 LEU 49 -2.761 -1.372 13.812 386 2HD1 LEU 49 2HD1 LEU 49 -3.303 -2.646 12.720 387 3HD1 LEU 49 3HD1 LEU 49 -1.920 -1.643 12.285 388 1HD2 LEU 49 1HD2 LEU 49 -2.965 -1.007 10.153 389 2HD2 LEU 49 2HD2 LEU 49 -4.394 -1.980 10.501 390 3HD2 LEU 49 3HD2 LEU 49 -4.565 -0.265 10.128 391 H GLY 50 H GLY 50 -7.697 -1.902 12.252 392 1HA GLY 50 1HA GLY 50 -9.351 -2.289 14.010 393 2HA GLY 50 2HA GLY 50 -9.729 -0.573 13.930 394 H GLN 51 H GLN 51 -10.197 0.065 11.468 395 HA GLN 51 HA GLN 51 -12.413 -1.662 10.669 396 1HB GLN 51 1HB GLN 51 -12.670 0.852 10.946 397 2HB GLN 51 2HB GLN 51 -11.676 1.028 9.506 398 1HG GLN 51 1HG GLN 51 -13.347 -0.352 8.273 399 2HG GLN 51 2HG GLN 51 -14.367 -0.301 9.709 400 1HE2 GLN 51 2HE2 GLN 51 -15.353 1.636 10.292 401 2HE2 GLN 51 1HE2 GLN 51 -15.486 2.967 9.189 402 H LEU 52 H LEU 52 -9.263 -1.655 10.100 403 HA LEU 52 HA LEU 52 -9.186 -1.781 7.243 404 1HB LEU 52 1HB LEU 52 -7.207 -1.149 8.585 405 2HB LEU 52 2HB LEU 52 -7.151 -2.775 9.242 406 HG LEU 52 HG LEU 52 -6.755 -3.660 6.965 407 1HD1 LEU 52 1HD1 LEU 52 -7.837 -1.901 5.682 408 2HD1 LEU 52 2HD1 LEU 52 -6.603 -0.749 6.196 409 3HD1 LEU 52 3HD1 LEU 52 -6.163 -2.111 5.166 410 1HD2 LEU 52 1HD2 LEU 52 -4.873 -3.199 8.438 411 2HD2 LEU 52 2HD2 LEU 52 -4.451 -2.870 6.758 412 3HD2 LEU 52 3HD2 LEU 52 -4.810 -1.536 7.855 413 H GLN 53 H GLN 53 -10.847 -3.230 6.833 414 HA GLN 53 HA GLN 53 -9.974 -6.032 6.947 415 1HB GLN 53 1HB GLN 53 -12.770 -4.970 7.431 416 2HB GLN 53 2HB GLN 53 -12.409 -6.663 7.135 417 1HG GLN 53 1HG GLN 53 -11.010 -6.706 9.147 418 2HG GLN 53 2HG GLN 53 -11.419 -5.018 9.452 419 1HE2 GLN 53 2HE2 GLN 53 -11.903 -7.391 11.079 420 2HE2 GLN 53 1HE2 GLN 53 -13.613 -7.444 11.337 421 HA PRO 54 HA PRO 54 -10.770 -6.318 2.567 422 1HB PRO 54 1HB PRO 54 -12.878 -8.194 2.524 423 2HB PRO 54 2HB PRO 54 -11.155 -8.535 2.365 424 1HG PRO 54 1HG PRO 54 -12.914 -8.733 4.748 425 2HG PRO 54 2HG PRO 54 -11.498 -9.702 4.309 426 1HD PRO 54 1HD PRO 54 -11.385 -7.849 6.239 427 2HD PRO 54 2HD PRO 54 -10.012 -8.133 5.150 428 H ALA 55 H ALA 55 -13.411 -5.710 4.740 429 HA ALA 55 HA ALA 55 -15.436 -4.998 2.957 430 1HB ALA 55 1HB ALA 55 -15.773 -5.284 5.359 431 2HB ALA 55 2HB ALA 55 -14.839 -3.820 5.665 432 3HB ALA 55 3HB ALA 55 -16.375 -3.722 4.804 433 H HIS 56 H HIS 56 -12.709 -3.115 4.200 434 HA HIS 56 HA HIS 56 -13.493 -0.902 2.415 435 1HB HIS 56 1HB HIS 56 -12.445 -0.961 5.131 436 2HB HIS 56 2HB HIS 56 -11.471 0.057 4.077 437 HD1 HIS 56 HD1 HIS 56 -12.179 2.401 4.368 438 HD2 HIS 56 HD2 HIS 56 -15.426 -0.194 4.469 439 HE1 HIS 56 HE1 HIS 56 -14.201 3.864 4.632 440 HE2 HIS 56 HE2 HIS 56 -16.156 2.282 4.744 441 H MET 57 H MET 57 -11.256 -3.381 2.904 442 HA MET 57 HA MET 57 -9.074 -2.142 1.444 443 1HB MET 57 1HB MET 57 -8.746 -3.757 3.351 444 2HB MET 57 2HB MET 57 -9.395 -5.021 2.319 445 1HG MET 57 1HG MET 57 -7.027 -5.185 2.295 446 2HG MET 57 2HG MET 57 -7.545 -4.583 0.721 447 1HE MET 57 1HE MET 57 -4.055 -2.857 1.378 448 2HE MET 57 2HE MET 57 -4.964 -3.923 0.307 449 3HE MET 57 3HE MET 57 -4.541 -4.458 1.933 450 H ASP 58 H ASP 58 -11.955 -3.560 0.686 451 HA ASP 58 HA ASP 58 -11.476 -5.363 -1.361 452 1HB ASP 58 1HB ASP 58 -13.684 -5.040 -0.389 453 2HB ASP 58 2HB ASP 58 -13.763 -3.409 -1.044 454 H ALA 59 H ALA 59 -11.738 -1.840 -1.505 455 HA ALA 59 HA ALA 59 -11.721 -1.505 -4.268 456 1HB ALA 59 1HB ALA 59 -12.175 0.305 -2.681 457 2HB ALA 59 2HB ALA 59 -10.480 0.302 -2.197 458 3HB ALA 59 3HB ALA 59 -10.927 0.756 -3.842 459 H VAL 60 H VAL 60 -9.033 -1.894 -2.012 460 HA VAL 60 HA VAL 60 -6.966 -1.334 -3.864 461 HB VAL 60 HB VAL 60 -6.759 -3.099 -1.420 462 1HG1 VAL 60 1HG1 VAL 60 -4.711 -1.425 -2.867 463 2HG1 VAL 60 2HG1 VAL 60 -4.429 -2.336 -1.384 464 3HG1 VAL 60 3HG1 VAL 60 -4.818 -3.186 -2.879 465 1HG2 VAL 60 1HG2 VAL 60 -7.809 -0.996 -0.799 466 2HG2 VAL 60 2HG2 VAL 60 -6.159 -1.068 -0.181 467 3HG2 VAL 60 3HG2 VAL 60 -6.525 -0.098 -1.607 468 H LEU 61 H LEU 61 -8.527 -4.317 -2.800 469 HA LEU 61 HA LEU 61 -6.858 -6.039 -4.342 470 1HB LEU 61 1HB LEU 61 -9.598 -6.528 -3.173 471 2HB LEU 61 2HB LEU 61 -8.530 -7.765 -3.809 472 HG LEU 61 HG LEU 61 -7.931 -6.023 -1.414 473 1HD1 LEU 61 1HD1 LEU 61 -8.749 -8.919 -1.576 474 2HD1 LEU 61 2HD1 LEU 61 -8.271 -8.060 -0.112 475 3HD1 LEU 61 3HD1 LEU 61 -9.740 -7.591 -0.969 476 1HD2 LEU 61 1HD2 LEU 61 -6.458 -8.392 -2.562 477 2HD2 LEU 61 2HD2 LEU 61 -5.919 -6.714 -2.609 478 3HD2 LEU 61 3HD2 LEU 61 -6.055 -7.554 -1.064 479 H ALA 62 H ALA 62 -9.909 -4.400 -4.886 480 HA ALA 62 HA ALA 62 -10.628 -5.753 -7.271 481 1HB ALA 62 1HB ALA 62 -12.238 -4.496 -5.923 482 2HB ALA 62 2HB ALA 62 -11.421 -2.994 -6.350 483 3HB ALA 62 3HB ALA 62 -12.223 -3.946 -7.598 484 H LEU 63 H LEU 63 -8.423 -3.159 -6.597 485 HA LEU 63 HA LEU 63 -8.186 -2.180 -9.257 486 1HB LEU 63 1HB LEU 63 -6.226 -2.127 -6.961 487 2HB LEU 63 2HB LEU 63 -6.005 -1.262 -8.469 488 HG LEU 63 HG LEU 63 -8.235 -0.788 -6.488 489 1HD1 LEU 63 1HD1 LEU 63 -7.100 1.334 -6.064 490 2HD1 LEU 63 2HD1 LEU 63 -6.073 -0.040 -5.655 491 3HD1 LEU 63 3HD1 LEU 63 -5.795 0.853 -7.149 492 1HD2 LEU 63 1HD2 LEU 63 -7.517 0.663 -9.033 493 2HD2 LEU 63 2HD2 LEU 63 -8.939 -0.350 -8.779 494 3HD2 LEU 63 3HD2 LEU 63 -8.757 1.157 -7.879 495 H ASN 64 H ASN 64 -7.130 -4.995 -7.671 496 HA ASN 64 HA ASN 64 -5.835 -6.760 -8.214 497 1HB ASN 64 1HB ASN 64 -6.621 -5.790 -10.952 498 2HB ASN 64 2HB ASN 64 -5.621 -7.222 -10.731 499 1HD2 ASN 64 2HD2 ASN 64 -8.756 -5.805 -10.160 500 2HD2 ASN 64 1HD2 ASN 64 -9.593 -7.291 -9.862 501 HA PRO 65 HA PRO 65 -1.933 -4.452 -8.971 502 1HB PRO 65 1HB PRO 65 -1.177 -4.834 -6.243 503 2HB PRO 65 2HB PRO 65 -1.565 -3.314 -7.049 504 1HG PRO 65 1HG PRO 65 -3.073 -4.483 -5.039 505 2HG PRO 65 2HG PRO 65 -3.664 -3.267 -6.184 506 1HD PRO 65 1HD PRO 65 -4.015 -6.233 -6.213 507 2HD PRO 65 2HD PRO 65 -5.154 -4.955 -6.688 508 H ALA 66 H ALA 66 0.259 -5.353 -8.690 509 HA ALA 66 HA ALA 66 0.209 -8.263 -8.740 510 1HB ALA 66 1HB ALA 66 2.475 -6.339 -9.271 511 2HB ALA 66 2HB ALA 66 2.514 -8.083 -9.536 512 3HB ALA 66 3HB ALA 66 1.434 -7.069 -10.493 513 H VAL 67 H VAL 67 1.395 -5.608 -6.812 514 HA VAL 67 HA VAL 67 1.810 -7.430 -4.586 515 HB VAL 67 HB VAL 67 4.024 -7.390 -5.595 516 1HG1 VAL 67 1HG1 VAL 67 5.312 -5.317 -5.798 517 2HG1 VAL 67 2HG1 VAL 67 3.881 -5.313 -6.829 518 3HG1 VAL 67 3HG1 VAL 67 3.886 -4.393 -5.323 519 1HG2 VAL 67 1HG2 VAL 67 3.919 -7.476 -3.172 520 2HG2 VAL 67 2HG2 VAL 67 5.337 -6.567 -3.697 521 3HG2 VAL 67 3HG2 VAL 67 3.916 -5.713 -3.092 522 H ILE 68 H ILE 68 1.613 -6.404 -2.562 523 HA ILE 68 HA ILE 68 0.770 -3.580 -2.698 524 HB ILE 68 HB ILE 68 -0.429 -5.719 -0.924 525 1HG1 ILE 68 1HG1 ILE 68 -1.629 -4.271 -3.299 526 2HG1 ILE 68 2HG1 ILE 68 -1.089 -5.947 -3.300 527 1HG2 ILE 68 1HG2 ILE 68 -1.156 -2.811 -1.278 528 2HG2 ILE 68 2HG2 ILE 68 -2.057 -3.982 -0.314 529 3HG2 ILE 68 3HG2 ILE 68 -0.413 -3.538 0.147 530 1HD1 ILE 68 1HD1 ILE 68 -2.781 -6.493 -1.631 531 2HD1 ILE 68 2HD1 ILE 68 -3.322 -4.814 -1.631 532 3HD1 ILE 68 3HD1 ILE 68 -3.499 -5.798 -3.084 533 H LEU 69 H LEU 69 1.788 -2.253 -1.360 534 HA LEU 69 HA LEU 69 3.406 -3.407 0.811 535 1HB LEU 69 1HB LEU 69 3.693 -0.777 -0.651 536 2HB LEU 69 2HB LEU 69 4.669 -1.259 0.722 537 HG LEU 69 HG LEU 69 4.605 -2.657 -1.953 538 1HD1 LEU 69 1HD1 LEU 69 6.877 -1.774 -2.201 539 2HD1 LEU 69 2HD1 LEU 69 5.682 -0.483 -2.080 540 3HD1 LEU 69 3HD1 LEU 69 6.691 -0.883 -0.690 541 1HD2 LEU 69 1HD2 LEU 69 5.049 -4.191 -0.103 542 2HD2 LEU 69 2HD2 LEU 69 6.492 -3.938 -1.084 543 3HD2 LEU 69 3HD2 LEU 69 6.333 -3.129 0.475 544 H LEU 70 H LEU 70 2.641 -3.108 2.789 545 HA LEU 70 HA LEU 70 0.659 -0.975 3.202 546 1HB LEU 70 1HB LEU 70 -0.095 -3.276 3.674 547 2HB LEU 70 2HB LEU 70 1.197 -3.454 4.844 548 HG LEU 70 HG LEU 70 0.184 -1.665 6.216 549 1HD1 LEU 70 1HD1 LEU 70 -2.077 -0.894 5.712 550 2HD1 LEU 70 2HD1 LEU 70 -0.946 -0.436 4.439 551 3HD1 LEU 70 3HD1 LEU 70 -2.048 -1.789 4.193 552 1HD2 LEU 70 1HD2 LEU 70 -0.334 -4.004 6.668 553 2HD2 LEU 70 2HD2 LEU 70 -1.724 -2.971 7.005 554 3HD2 LEU 70 3HD2 LEU 70 -1.679 -3.935 5.529 555 H GLY 71 H GLY 71 1.419 0.796 4.123 556 1HA GLY 71 1HA GLY 71 3.736 0.569 5.928 557 2HA GLY 71 2HA GLY 71 3.239 2.032 5.085 558 H THR 72 H THR 72 2.968 0.182 7.933 559 HA THR 72 HA THR 72 0.639 1.630 8.889 560 HB THR 72 HB THR 72 1.075 0.267 11.006 561 HG1 THR 72 HG1 THR 72 3.331 -0.202 10.290 562 1HG2 THR 72 1HG2 THR 72 0.130 -1.774 10.026 563 2HG2 THR 72 2HG2 THR 72 -0.643 -0.332 9.371 564 3HG2 THR 72 3HG2 THR 72 0.558 -1.200 8.415 565 H GLY 73 H GLY 73 1.830 3.698 8.654 566 1HA GLY 73 1HA GLY 73 2.850 5.514 9.610 567 2HA GLY 73 2HA GLY 73 2.687 4.681 11.149 568 H GLU 74 H GLU 74 4.609 4.891 12.086 569 HA GLU 74 HA GLU 74 7.032 4.311 10.526 570 1HB GLU 74 1HB GLU 74 6.756 6.484 11.877 571 2HB GLU 74 2HB GLU 74 6.925 5.479 13.308 572 1HG GLU 74 1HG GLU 74 9.037 6.482 12.781 573 2HG GLU 74 2HG GLU 74 9.132 4.744 12.498 574 H ARG 75 H ARG 75 4.966 2.481 11.784 575 HA ARG 75 HA ARG 75 6.808 0.861 13.420 576 1HB ARG 75 1HB ARG 75 3.805 1.091 13.744 577 2HB ARG 75 2HB ARG 75 4.872 0.082 14.707 578 1HG ARG 75 1HG ARG 75 5.003 3.086 14.599 579 2HG ARG 75 2HG ARG 75 4.162 2.159 15.842 580 1HD ARG 75 1HD ARG 75 7.095 1.874 15.221 581 2HD ARG 75 2HD ARG 75 6.453 2.932 16.477 582 HE ARG 75 HE ARG 75 5.788 0.072 16.567 583 1HH1 ARG 75 1HH1 ARG 75 7.559 2.804 17.851 584 2HH1 ARG 75 2HH1 ARG 75 7.900 2.042 19.377 585 1HH2 ARG 75 1HH2 ARG 75 6.245 -0.957 18.573 586 2HH2 ARG 75 2HH2 ARG 75 7.159 -0.103 19.785 587 H GLN 76 H GLN 76 6.303 -1.476 13.329 588 HA GLN 76 HA GLN 76 5.013 -2.211 10.796 589 1HB GLN 76 1HB GLN 76 7.349 -3.012 11.169 590 2HB GLN 76 2HB GLN 76 6.776 -3.919 12.562 591 1HG GLN 76 1HG GLN 76 5.317 -5.235 11.114 592 2HG GLN 76 2HG GLN 76 5.882 -4.319 9.716 593 1HE2 GLN 76 2HE2 GLN 76 6.714 -6.103 8.680 594 2HE2 GLN 76 1HE2 GLN 76 8.142 -6.922 9.230 595 H GLN 77 H GLN 77 2.891 -2.268 11.296 596 HA GLN 77 HA GLN 77 2.064 -3.733 13.692 597 1HB GLN 77 1HB GLN 77 0.424 -2.016 11.818 598 2HB GLN 77 2HB GLN 77 -0.133 -2.721 13.330 599 1HG GLN 77 1HG GLN 77 1.523 -1.381 14.549 600 2HG GLN 77 2HG GLN 77 2.031 -0.650 13.028 601 1HE2 GLN 77 2HE2 GLN 77 -0.443 -0.815 15.444 602 2HE2 GLN 77 1HE2 GLN 77 -1.330 0.572 14.926 603 H PHE 78 H PHE 78 0.946 -5.594 13.607 604 HA PHE 78 HA PHE 78 1.125 -7.051 11.133 605 1HB PHE 78 1HB PHE 78 0.048 -7.890 13.832 606 2HB PHE 78 2HB PHE 78 0.330 -8.968 12.469 607 HD1 PHE 78 HD1 PHE 78 1.796 -7.271 15.280 608 HD2 PHE 78 HD2 PHE 78 2.670 -9.299 11.641 609 HE1 PHE 78 HE1 PHE 78 4.122 -7.585 16.017 610 HE2 PHE 78 HE2 PHE 78 4.997 -9.620 12.374 611 HZ PHE 78 HZ PHE 78 5.726 -8.761 14.564 612 HA PRO 79 HA PRO 79 -2.930 -5.815 9.809 613 1HB PRO 79 1HB PRO 79 -2.555 -7.875 7.743 614 2HB PRO 79 2HB PRO 79 -2.778 -6.134 7.562 615 1HG PRO 79 1HG PRO 79 -0.412 -7.318 7.087 616 2HG PRO 79 2HG PRO 79 -0.527 -5.687 7.776 617 1HD PRO 79 1HD PRO 79 0.041 -8.288 9.145 618 2HD PRO 79 2HD PRO 79 0.772 -6.691 9.408 619 H SER 80 H SER 80 -5.010 -6.674 9.697 620 HA SER 80 HA SER 80 -5.558 -8.882 11.353 621 1HB SER 80 1HB SER 80 -7.395 -7.527 9.362 622 2HB SER 80 2HB SER 80 -7.885 -8.504 10.746 623 HG SER 80 HG SER 80 -6.297 -6.664 11.724 624 H THR 81 H THR 81 -6.273 -10.942 10.880 625 HA THR 81 HA THR 81 -5.025 -12.239 8.737 626 HB THR 81 HB THR 81 -7.354 -13.308 10.337 627 HG1 THR 81 HG1 THR 81 -4.573 -13.403 11.003 628 1HG2 THR 81 1HG2 THR 81 -4.986 -14.678 9.049 629 2HG2 THR 81 2HG2 THR 81 -6.243 -15.471 9.999 630 3HG2 THR 81 3HG2 THR 81 -6.647 -14.714 8.457 631 H ASP 82 H ASP 82 -8.267 -10.969 9.113 632 HA ASP 82 HA ASP 82 -9.601 -12.206 7.016 633 1HB ASP 82 1HB ASP 82 -9.891 -9.328 7.912 634 2HB ASP 82 2HB ASP 82 -11.066 -10.230 6.965 635 H VAL 83 H VAL 83 -7.523 -9.355 6.983 636 HA VAL 83 HA VAL 83 -7.939 -8.780 4.211 637 HB VAL 83 HB VAL 83 -5.681 -7.853 6.000 638 1HG1 VAL 83 1HG1 VAL 83 -5.229 -7.510 3.636 639 2HG1 VAL 83 2HG1 VAL 83 -6.782 -6.695 3.442 640 3HG1 VAL 83 3HG1 VAL 83 -5.523 -5.968 4.442 641 1HG2 VAL 83 1HG2 VAL 83 -7.815 -7.286 7.001 642 2HG2 VAL 83 2HG2 VAL 83 -7.032 -5.837 6.370 643 3HG2 VAL 83 3HG2 VAL 83 -8.363 -6.577 5.481 644 H LEU 84 H LEU 84 -5.460 -10.408 6.113 645 HA LEU 84 HA LEU 84 -3.548 -10.778 4.104 646 1HB LEU 84 1HB LEU 84 -4.144 -12.505 6.508 647 2HB LEU 84 2HB LEU 84 -2.683 -12.593 5.541 648 HG LEU 84 HG LEU 84 -3.555 -10.185 7.146 649 1HD1 LEU 84 1HD1 LEU 84 -1.400 -12.222 7.689 650 2HD1 LEU 84 2HD1 LEU 84 -1.707 -10.763 8.632 651 3HD1 LEU 84 3HD1 LEU 84 -2.912 -12.049 8.579 652 1HD2 LEU 84 1HD2 LEU 84 -1.003 -10.756 5.643 653 2HD2 LEU 84 2HD2 LEU 84 -2.241 -9.586 5.186 654 3HD2 LEU 84 3HD2 LEU 84 -1.307 -9.348 6.663 655 H ALA 85 H ALA 85 -6.255 -12.829 5.117 656 HA ALA 85 HA ALA 85 -5.673 -15.040 3.489 657 1HB ALA 85 1HB ALA 85 -8.375 -14.093 4.438 658 2HB ALA 85 2HB ALA 85 -7.983 -15.710 3.855 659 3HB ALA 85 3HB ALA 85 -7.264 -15.115 5.351 660 H ALA 86 H ALA 86 -7.605 -12.145 2.878 661 HA ALA 86 HA ALA 86 -8.640 -12.967 0.378 662 1HB ALA 86 1HB ALA 86 -9.654 -11.189 1.723 663 2HB ALA 86 2HB ALA 86 -8.247 -10.166 1.425 664 3HB ALA 86 3HB ALA 86 -9.290 -10.641 0.086 665 H CYS 87 H CYS 87 -5.636 -11.465 1.322 666 HA CYS 87 HA CYS 87 -4.889 -10.671 -1.328 667 1HB CYS 87 1HB CYS 87 -3.166 -11.069 1.130 668 2HB CYS 87 2HB CYS 87 -2.680 -10.244 -0.348 669 HG CYS 87 HG CYS 87 -5.102 -9.194 1.833 670 H LEU 88 H LEU 88 -4.383 -13.484 0.713 671 HA LEU 88 HA LEU 88 -2.445 -14.719 -0.972 672 1HB LEU 88 1HB LEU 88 -4.239 -15.908 1.144 673 2HB LEU 88 2HB LEU 88 -2.902 -16.744 0.378 674 HG LEU 88 HG LEU 88 -2.677 -14.284 2.114 675 1HD1 LEU 88 1HD1 LEU 88 -3.241 -16.289 3.378 676 2HD1 LEU 88 2HD1 LEU 88 -1.897 -17.150 2.627 677 3HD1 LEU 88 3HD1 LEU 88 -1.581 -15.784 3.698 678 1HD2 LEU 88 1HD2 LEU 88 -0.974 -14.319 0.371 679 2HD2 LEU 88 2HD2 LEU 88 -0.264 -14.648 1.951 680 3HD2 LEU 88 3HD2 LEU 88 -0.539 -15.969 0.816 681 H THR 89 H THR 89 -5.951 -14.815 -0.763 682 HA THR 89 HA THR 89 -6.244 -16.992 -2.599 683 HB THR 89 HB THR 89 -8.659 -16.163 -2.680 684 HG1 THR 89 HG1 THR 89 -9.140 -14.676 -0.924 685 1HG2 THR 89 1HG2 THR 89 -9.144 -16.990 -0.420 686 2HG2 THR 89 2HG2 THR 89 -7.934 -17.991 -1.224 687 3HG2 THR 89 3HG2 THR 89 -7.440 -16.827 0.004 688 H ARG 90 H ARG 90 -6.193 -13.479 -2.851 689 HA ARG 90 HA ARG 90 -6.825 -13.420 -5.636 690 1HB ARG 90 1HB ARG 90 -6.035 -11.489 -3.588 691 2HB ARG 90 2HB ARG 90 -5.344 -11.137 -5.162 692 1HG ARG 90 1HG ARG 90 -7.364 -9.926 -5.013 693 2HG ARG 90 2HG ARG 90 -7.665 -11.272 -6.107 694 1HD ARG 90 1HD ARG 90 -8.337 -11.413 -3.184 695 2HD ARG 90 2HD ARG 90 -9.451 -10.726 -4.362 696 HE ARG 90 HE ARG 90 -8.803 -13.184 -5.381 697 1HH1 ARG 90 1HH1 ARG 90 -10.169 -11.990 -2.381 698 2HH1 ARG 90 2HH1 ARG 90 -11.069 -13.441 -2.063 699 1HH2 ARG 90 1HH2 ARG 90 -10.048 -15.079 -4.991 700 2HH2 ARG 90 2HH2 ARG 90 -11.024 -15.181 -3.553 701 H GLY 91 H GLY 91 -3.973 -14.035 -3.797 702 1HA GLY 91 1HA GLY 91 -2.017 -15.033 -4.602 703 2HA GLY 91 2HA GLY 91 -2.519 -14.642 -6.242 704 H ILE 92 H ILE 92 -2.515 -12.269 -3.702 705 HA ILE 92 HA ILE 92 -0.440 -10.799 -5.179 706 HB ILE 92 HB ILE 92 -2.454 -9.695 -3.208 707 1HG1 ILE 92 1HG1 ILE 92 -2.523 -9.557 -6.230 708 2HG1 ILE 92 2HG1 ILE 92 -3.507 -10.655 -5.267 709 1HG2 ILE 92 1HG2 ILE 92 -0.438 -8.346 -3.437 710 2HG2 ILE 92 2HG2 ILE 92 -0.634 -8.329 -5.189 711 3HG2 ILE 92 3HG2 ILE 92 -1.821 -7.527 -4.161 712 1HD1 ILE 92 1HD1 ILE 92 -4.639 -8.793 -4.237 713 2HD1 ILE 92 2HD1 ILE 92 -3.596 -7.655 -5.088 714 3HD1 ILE 92 3HD1 ILE 92 -4.730 -8.656 -5.993 715 H GLY 93 H GLY 93 1.367 -10.056 -4.138 716 1HA GLY 93 1HA GLY 93 1.936 -11.183 -1.527 717 2HA GLY 93 2HA GLY 93 3.059 -10.300 -2.553 718 H LEU 94 H LEU 94 1.418 -10.172 0.283 719 HA LEU 94 HA LEU 94 1.254 -7.235 0.264 720 1HB LEU 94 1HB LEU 94 -0.848 -8.279 0.843 721 2HB LEU 94 2HB LEU 94 -0.067 -9.275 2.055 722 HG LEU 94 HG LEU 94 0.410 -7.275 3.402 723 1HD1 LEU 94 1HD1 LEU 94 0.589 -5.638 1.607 724 2HD1 LEU 94 2HD1 LEU 94 -1.136 -5.801 1.275 725 3HD1 LEU 94 3HD1 LEU 94 -0.594 -5.129 2.812 726 1HD2 LEU 94 1HD2 LEU 94 -1.651 -8.522 3.777 727 2HD2 LEU 94 2HD2 LEU 94 -1.885 -6.800 4.080 728 3HD2 LEU 94 3HD2 LEU 94 -2.481 -7.523 2.585 729 H GLU 95 H GLU 95 3.001 -6.296 1.070 730 HA GLU 95 HA GLU 95 4.458 -7.678 3.228 731 1HB GLU 95 1HB GLU 95 5.523 -5.523 1.395 732 2HB GLU 95 2HB GLU 95 6.445 -6.504 2.526 733 1HG GLU 95 1HG GLU 95 5.781 -8.511 1.183 734 2HG GLU 95 2HG GLU 95 5.105 -7.403 -0.009 735 H ALA 96 H ALA 96 4.144 -6.857 5.181 736 HA ALA 96 HA ALA 96 3.173 -4.135 5.490 737 1HB ALA 96 1HB ALA 96 3.656 -6.274 7.565 738 2HB ALA 96 2HB ALA 96 2.859 -4.724 7.840 739 3HB ALA 96 3HB ALA 96 2.115 -5.925 6.783 740 H MET 97 H MET 97 4.513 -2.502 5.732 741 HA MET 97 HA MET 97 7.064 -2.888 7.136 742 1HB MET 97 1HB MET 97 6.759 -1.512 4.456 743 2HB MET 97 2HB MET 97 8.222 -1.521 5.425 744 1HG MET 97 1HG MET 97 8.369 -3.949 5.168 745 2HG MET 97 2HG MET 97 6.910 -3.924 4.178 746 1HE MET 97 1HE MET 97 9.711 -4.676 1.549 747 2HE MET 97 2HE MET 97 8.172 -5.203 2.231 748 3HE MET 97 3HE MET 97 9.635 -5.252 3.214 749 H THR 98 H THR 98 8.115 -0.443 6.989 750 HA THR 98 HA THR 98 6.122 1.322 8.175 751 HB THR 98 HB THR 98 8.113 2.765 8.691 752 HG1 THR 98 HG1 THR 98 10.149 2.019 8.242 753 1HG2 THR 98 1HG2 THR 98 9.024 1.297 10.435 754 2HG2 THR 98 2HG2 THR 98 7.266 1.173 10.342 755 3HG2 THR 98 3HG2 THR 98 8.278 -0.095 9.650 756 H ASN 99 H ASN 99 6.000 3.587 7.416 757 HA ASN 99 HA ASN 99 5.531 3.737 4.672 758 1HB ASN 99 1HB ASN 99 5.972 5.943 6.686 759 2HB ASN 99 2HB ASN 99 5.502 6.247 5.018 760 1HD2 ASN 99 2HD2 ASN 99 4.053 6.907 7.400 761 2HD2 ASN 99 1HD2 ASN 99 2.542 6.070 7.322 762 H ALA 100 H ALA 100 8.367 4.750 6.519 763 HA ALA 100 HA ALA 100 9.716 6.048 4.423 764 1HB ALA 100 1HB ALA 100 10.895 4.663 6.828 765 2HB ALA 100 2HB ALA 100 11.705 5.854 5.810 766 3HB ALA 100 3HB ALA 100 10.311 6.327 6.780 767 H ALA 101 H ALA 101 9.755 2.675 5.495 768 HA ALA 101 HA ALA 101 11.863 1.912 3.712 769 1HB ALA 101 1HB ALA 101 11.455 0.727 5.818 770 2HB ALA 101 2HB ALA 101 9.898 0.175 5.201 771 3HB ALA 101 3HB ALA 101 11.392 -0.362 4.433 772 H ALA 102 H ALA 102 8.345 1.721 3.667 773 HA ALA 102 HA ALA 102 8.120 0.072 1.384 774 1HB ALA 102 1HB ALA 102 6.311 0.382 3.002 775 2HB ALA 102 2HB ALA 102 6.137 2.058 2.481 776 3HB ALA 102 3HB ALA 102 5.784 0.745 1.358 777 H ALA 103 H ALA 103 8.302 3.570 1.795 778 HA ALA 103 HA ALA 103 7.663 4.322 -0.841 779 1HB ALA 103 1HB ALA 103 7.753 5.907 1.034 780 2HB ALA 103 2HB ALA 103 9.506 5.725 1.093 781 3HB ALA 103 3HB ALA 103 8.742 6.440 -0.326 782 H ARG 104 H ARG 104 10.626 3.213 0.632 783 HA ARG 104 HA ARG 104 12.368 3.969 -1.482 784 1HB ARG 104 1HB ARG 104 13.047 3.501 0.884 785 2HB ARG 104 2HB ARG 104 12.757 1.796 0.582 786 1HG ARG 104 1HG ARG 104 14.543 1.674 -0.970 787 2HG ARG 104 2HG ARG 104 14.715 3.432 -1.006 788 1HD ARG 104 1HD ARG 104 15.261 1.617 1.342 789 2HD ARG 104 2HD ARG 104 16.463 2.457 0.361 790 HE ARG 104 HE ARG 104 14.908 4.470 1.265 791 1HH1 ARG 104 1HH1 ARG 104 16.657 1.879 2.846 792 2HH1 ARG 104 2HH1 ARG 104 16.808 2.735 4.352 793 1HH2 ARG 104 1HH2 ARG 104 15.121 5.600 3.245 794 2HH2 ARG 104 2HH2 ARG 104 15.953 4.852 4.576 795 H THR 105 H THR 105 10.542 1.065 -0.710 796 HA THR 105 HA THR 105 11.615 -0.518 -2.826 797 HB THR 105 HB THR 105 8.979 -0.878 -1.385 798 HG1 THR 105 HG1 THR 105 10.967 -2.463 -0.484 799 1HG2 THR 105 1HG2 THR 105 10.790 -2.860 -2.776 800 2HG2 THR 105 2HG2 THR 105 9.297 -3.248 -1.921 801 3HG2 THR 105 3HG2 THR 105 9.244 -2.272 -3.388 802 H TYR 106 H TYR 106 8.889 1.657 -2.474 803 HA TYR 106 HA TYR 106 7.400 1.012 -4.726 804 1HB TYR 106 1HB TYR 106 6.500 2.540 -3.118 805 2HB TYR 106 2HB TYR 106 7.832 3.667 -3.350 806 HD1 TYR 106 HD1 TYR 106 4.909 2.156 -5.089 807 HD2 TYR 106 HD2 TYR 106 7.669 5.391 -4.925 808 HE1 TYR 106 HE1 TYR 106 3.608 3.347 -6.802 809 HE2 TYR 106 HE2 TYR 106 6.375 6.590 -6.637 810 HH TYR 106 HH TYR 106 3.251 5.618 -7.603 811 H ASN 107 H ASN 107 10.195 3.178 -4.445 812 HA ASN 107 HA ASN 107 10.076 4.290 -7.011 813 1HB ASN 107 1HB ASN 107 11.499 5.124 -5.135 814 2HB ASN 107 2HB ASN 107 12.577 3.757 -5.392 815 1HD2 ASN 107 2HD2 ASN 107 13.914 3.728 -7.211 816 2HD2 ASN 107 1HD2 ASN 107 14.179 5.140 -8.171 817 H VAL 108 H VAL 108 11.514 1.291 -5.876 818 HA VAL 108 HA VAL 108 12.950 0.706 -8.264 819 HB VAL 108 HB VAL 108 11.990 -1.252 -6.169 820 1HG1 VAL 108 1HG1 VAL 108 14.276 -1.388 -8.130 821 2HG1 VAL 108 2HG1 VAL 108 13.915 -2.588 -6.889 822 3HG1 VAL 108 3HG1 VAL 108 12.777 -2.314 -8.209 823 1HG2 VAL 108 1HG2 VAL 108 14.537 0.359 -6.253 824 2HG2 VAL 108 2HG2 VAL 108 13.212 0.557 -5.105 825 3HG2 VAL 108 3HG2 VAL 108 14.171 -0.923 -5.098 826 H LEU 109 H LEU 109 9.778 -0.203 -7.013 827 HA LEU 109 HA LEU 109 9.207 -1.966 -9.205 828 1HB LEU 109 1HB LEU 109 7.385 -0.800 -7.099 829 2HB LEU 109 2HB LEU 109 6.958 -2.090 -8.208 830 HG LEU 109 HG LEU 109 9.133 -2.254 -6.119 831 1HD1 LEU 109 1HD1 LEU 109 6.377 -3.469 -6.161 832 2HD1 LEU 109 2HD1 LEU 109 7.625 -3.772 -4.951 833 3HD1 LEU 109 3HD1 LEU 109 6.921 -2.162 -5.110 834 1HD2 LEU 109 1HD2 LEU 109 7.978 -4.357 -7.946 835 2HD2 LEU 109 2HD2 LEU 109 9.587 -3.644 -8.067 836 3HD2 LEU 109 3HD2 LEU 109 9.165 -4.634 -6.671 837 H ALA 110 H ALA 110 8.600 1.383 -8.427 838 HA ALA 110 HA ALA 110 6.662 1.914 -10.411 839 1HB ALA 110 1HB ALA 110 7.074 3.415 -8.521 840 2HB ALA 110 2HB ALA 110 8.661 3.808 -9.182 841 3HB ALA 110 3HB ALA 110 7.202 4.262 -10.062 842 H SER 111 H SER 111 10.198 2.124 -10.417 843 HA SER 111 HA SER 111 10.384 3.189 -13.035 844 1HB SER 111 1HB SER 111 12.802 2.288 -12.829 845 2HB SER 111 2HB SER 111 12.284 3.545 -11.709 846 HG SER 111 HG SER 111 12.283 2.141 -10.087 847 H GLU 112 H GLU 112 10.272 -0.082 -11.749 848 HA GLU 112 HA GLU 112 10.819 -1.415 -14.197 849 1HB GLU 112 1HB GLU 112 10.949 -2.530 -11.988 850 2HB GLU 112 2HB GLU 112 9.205 -2.378 -11.821 851 1HG GLU 112 1HG GLU 112 9.002 -3.733 -13.935 852 2HG GLU 112 2HG GLU 112 10.730 -4.050 -13.796 853 H GLY 113 H GLY 113 7.899 -0.188 -12.669 854 1HA GLY 113 1HA GLY 113 5.981 0.494 -13.893 855 2HA GLY 113 2HA GLY 113 6.457 -0.592 -15.193 856 H ARG 114 H ARG 114 6.540 -1.651 -11.901 857 HA ARG 114 HA ARG 114 4.475 -3.627 -12.493 858 1HB ARG 114 1HB ARG 114 6.686 -4.265 -11.454 859 2HB ARG 114 2HB ARG 114 6.193 -3.384 -10.016 860 1HG ARG 114 1HG ARG 114 4.207 -4.887 -9.865 861 2HG ARG 114 2HG ARG 114 4.895 -5.831 -11.187 862 1HD ARG 114 1HD ARG 114 6.095 -5.359 -8.463 863 2HD ARG 114 2HD ARG 114 5.476 -6.880 -9.106 864 HE ARG 114 HE ARG 114 7.612 -5.747 -10.679 865 1HH1 ARG 114 1HH1 ARG 114 6.829 -7.806 -7.948 866 2HH1 ARG 114 2HH1 ARG 114 8.359 -8.624 -7.960 867 1HH2 ARG 114 1HH2 ARG 114 9.637 -6.781 -10.672 868 2HH2 ARG 114 2HH2 ARG 114 9.968 -8.027 -9.499 869 H ARG 115 H ARG 115 2.496 -3.646 -11.542 870 HA ARG 115 HA ARG 115 1.649 -1.264 -10.210 871 1HB ARG 115 1HB ARG 115 0.266 -3.819 -10.962 872 2HB ARG 115 2HB ARG 115 -0.534 -2.614 -9.959 873 1HG ARG 115 1HG ARG 115 -0.232 -0.945 -11.712 874 2HG ARG 115 2HG ARG 115 0.577 -2.147 -12.718 875 1HD ARG 115 1HD ARG 115 -1.429 -3.456 -12.867 876 2HD ARG 115 2HD ARG 115 -2.246 -2.417 -11.699 877 HE ARG 115 HE ARG 115 -2.532 -0.796 -13.338 878 1HH1 ARG 115 1HH1 ARG 115 -0.672 -3.515 -14.557 879 2HH1 ARG 115 2HH1 ARG 115 -0.769 -2.989 -16.214 880 1HH2 ARG 115 1HH2 ARG 115 -2.660 -0.120 -15.518 881 2HH2 ARG 115 2HH2 ARG 115 -1.903 -1.074 -16.756 882 H VAL 116 H VAL 116 2.813 -1.119 -8.349 883 HA VAL 116 HA VAL 116 2.146 -3.034 -6.241 884 HB VAL 116 HB VAL 116 4.512 -2.532 -6.367 885 1HG1 VAL 116 1HG1 VAL 116 3.750 0.362 -6.006 886 2HG1 VAL 116 2HG1 VAL 116 5.394 -0.278 -6.005 887 3HG1 VAL 116 3HG1 VAL 116 4.415 -0.368 -7.469 888 1HG2 VAL 116 1HG2 VAL 116 3.232 -1.174 -3.998 889 2HG2 VAL 116 2HG2 VAL 116 3.600 -2.892 -4.148 890 3HG2 VAL 116 3HG2 VAL 116 4.910 -1.713 -4.085 891 H ALA 117 H ALA 117 0.668 -2.562 -4.767 892 HA ALA 117 HA ALA 117 -0.541 0.091 -4.790 893 1HB ALA 117 1HB ALA 117 -2.018 -1.862 -4.844 894 2HB ALA 117 2HB ALA 117 -1.365 -2.399 -3.296 895 3HB ALA 117 3HB ALA 117 -2.280 -0.894 -3.392 896 H LEU 118 H LEU 118 0.809 1.444 -3.725 897 HA LEU 118 HA LEU 118 1.953 0.658 -1.177 898 1HB LEU 118 1HB LEU 118 3.310 1.931 -2.756 899 2HB LEU 118 2HB LEU 118 2.131 3.227 -2.758 900 HG LEU 118 HG LEU 118 2.631 3.675 -0.386 901 1HD1 LEU 118 1HD1 LEU 118 3.327 1.438 0.276 902 2HD1 LEU 118 2HD1 LEU 118 4.761 1.572 -0.742 903 3HD1 LEU 118 3HD1 LEU 118 4.572 2.626 0.659 904 1HD2 LEU 118 1HD2 LEU 118 5.027 3.660 -2.218 905 2HD2 LEU 118 2HD2 LEU 118 3.795 4.918 -2.117 906 3HD2 LEU 118 3HD2 LEU 118 4.868 4.621 -0.750 907 H ALA 119 H ALA 119 0.377 0.536 0.321 908 HA ALA 119 HA ALA 119 -1.512 2.752 0.598 909 1HB ALA 119 1HB ALA 119 -2.424 0.478 0.636 910 2HB ALA 119 2HB ALA 119 -1.417 0.098 2.032 911 3HB ALA 119 3HB ALA 119 -2.694 1.305 2.170 912 H MET 120 H MET 120 -0.569 4.401 1.623 913 HA MET 120 HA MET 120 1.167 3.844 3.915 914 1HB MET 120 1HB MET 120 0.846 6.177 2.077 915 2HB MET 120 2HB MET 120 1.493 6.441 3.689 916 1HG MET 120 1HG MET 120 3.262 4.802 3.221 917 2HG MET 120 2HG MET 120 2.628 4.617 1.585 918 1HE MET 120 1HE MET 120 5.244 5.125 0.965 919 2HE MET 120 2HE MET 120 5.676 5.572 2.613 920 3HE MET 120 3HE MET 120 6.026 6.672 1.280 921 H ILE 121 H ILE 121 0.218 3.804 5.819 922 HA ILE 121 HA ILE 121 -1.949 5.684 6.414 923 HB ILE 121 HB ILE 121 -0.718 3.559 8.193 924 1HG1 ILE 121 1HG1 ILE 121 -3.314 3.494 6.632 925 2HG1 ILE 121 2HG1 ILE 121 -1.854 2.608 6.206 926 1HG2 ILE 121 1HG2 ILE 121 -3.240 5.188 8.506 927 2HG2 ILE 121 2HG2 ILE 121 -2.712 3.895 9.584 928 3HG2 ILE 121 3HG2 ILE 121 -1.758 5.371 9.445 929 1HD1 ILE 121 1HD1 ILE 121 -3.479 2.229 8.711 930 2HD1 ILE 121 2HD1 ILE 121 -3.478 1.173 7.299 931 3HD1 ILE 121 3HD1 ILE 121 -2.021 1.335 8.280 932 H VAL 122 H VAL 122 -1.108 7.675 6.721 933 HA VAL 122 HA VAL 122 1.507 7.867 8.042 934 HB VAL 122 HB VAL 122 0.108 9.943 6.355 935 1HG1 VAL 122 1HG1 VAL 122 2.942 9.784 7.371 936 2HG1 VAL 122 2HG1 VAL 122 2.309 11.017 6.280 937 3HG1 VAL 122 3HG1 VAL 122 1.694 10.900 7.929 938 1HG2 VAL 122 1HG2 VAL 122 0.646 7.978 5.027 939 2HG2 VAL 122 2HG2 VAL 122 1.700 9.326 4.598 940 3HG2 VAL 122 3HG2 VAL 122 2.309 8.019 5.614 941 H GLY 123 H GLY 123 1.089 7.986 10.172 942 1HA GLY 123 1HA GLY 123 0.699 9.048 12.162 943 2HA GLY 123 2HA GLY 123 0.647 10.528 11.227 944 H GLY 124 H GLY 124 -1.652 7.939 10.709 945 1HA GLY 124 1HA GLY 124 -3.828 9.738 11.282 946 2HA GLY 124 2HA GLY 124 -3.968 8.071 10.742 947 H LEU 125 H LEU 125 -2.676 9.740 13.616 948 HA LEU 125 HA LEU 125 -4.278 7.913 15.278 949 1HB LEU 125 1HB LEU 125 -1.399 8.706 15.727 950 2HB LEU 125 2HB LEU 125 -2.381 7.827 16.882 951 HG LEU 125 HG LEU 125 -1.654 6.817 14.131 952 1HD1 LEU 125 1HD1 LEU 125 0.307 6.978 15.569 953 2HD1 LEU 125 2HD1 LEU 125 -0.538 6.089 16.836 954 3HD1 LEU 125 3HD1 LEU 125 -0.149 5.294 15.310 955 1HD2 LEU 125 1HD2 LEU 125 -3.767 5.926 14.970 956 2HD2 LEU 125 2HD2 LEU 125 -2.515 4.684 14.955 957 3HD2 LEU 125 3HD2 LEU 125 -2.977 5.452 16.475 958 H GLU 126 H GLU 126 -5.808 9.433 15.812 959 HA GLU 126 HA GLU 126 -4.817 11.553 17.603 960 1HB GLU 126 1HB GLU 126 -5.607 12.620 15.562 961 2HB GLU 126 2HB GLU 126 -7.134 11.754 15.670 962 1HG GLU 126 1HG GLU 126 -7.568 12.909 17.826 963 2HG GLU 126 2HG GLU 126 -6.109 13.861 17.556 964 H HIS 127 H HIS 127 -5.593 11.422 19.591 965 HA HIS 127 HA HIS 127 -7.572 9.413 20.212 966 1HB HIS 127 1HB HIS 127 -5.920 11.265 21.932 967 2HB HIS 127 2HB HIS 127 -7.117 10.157 22.598 968 HD1 HIS 127 HD1 HIS 127 -3.712 10.238 22.537 969 HD2 HIS 127 HD2 HIS 127 -6.414 7.452 21.028 970 HE1 HIS 127 HE1 HIS 127 -2.429 8.090 22.320 971 HE2 HIS 127 HE2 HIS 127 -4.020 6.490 21.198 972 H HIS 128 H HIS 128 -9.263 10.517 18.985 973 HA HIS 128 HA HIS 128 -11.131 11.772 18.751 974 1HB HIS 128 1HB HIS 128 -11.000 11.217 21.671 975 2HB HIS 128 2HB HIS 128 -12.194 12.384 21.112 976 HD1 HIS 128 HD1 HIS 128 -11.303 8.725 20.870 977 HD2 HIS 128 HD2 HIS 128 -14.353 11.320 19.743 978 HE1 HIS 128 HE1 HIS 128 -13.198 7.261 20.123 979 HE2 HIS 128 HE2 HIS 128 -14.959 8.849 19.276 980 H HIS 129 H HIS 129 -10.902 13.552 21.683 981 HA HIS 129 HA HIS 129 -10.138 15.902 20.127 982 1HB HIS 129 1HB HIS 129 -10.951 17.244 22.057 983 2HB HIS 129 2HB HIS 129 -12.192 16.225 21.352 984 HD1 HIS 129 HD1 HIS 129 -13.044 14.213 22.809 985 HD2 HIS 129 HD2 HIS 129 -10.371 16.769 24.724 986 HE1 HIS 129 HE1 HIS 129 -13.186 13.643 25.257 987 HE2 HIS 129 HE2 HIS 129 -11.680 15.306 26.409 988 H HIS 130 H HIS 130 -9.437 14.584 23.358 989 HA HIS 130 HA HIS 130 -6.621 14.717 22.971 990 1HB HIS 130 1HB HIS 130 -7.962 16.830 24.629 991 2HB HIS 130 2HB HIS 130 -6.400 16.204 25.136 992 HD1 HIS 130 HD1 HIS 130 -4.505 16.361 23.075 993 HD2 HIS 130 HD2 HIS 130 -7.758 18.951 22.980 994 HE1 HIS 130 HE1 HIS 130 -3.828 18.241 21.557 995 HE2 HIS 130 HE2 HIS 130 -5.753 19.866 21.619 996 H HIS 131 H HIS 131 -5.616 13.349 24.341 997 HA HIS 131 HA HIS 131 -6.791 12.694 26.912 998 1HB HIS 131 1HB HIS 131 -6.636 10.736 24.659 999 2HB HIS 131 2HB HIS 131 -6.280 10.166 26.285 1000 HD1 HIS 131 HD1 HIS 131 -8.325 11.030 28.072 1001 HD2 HIS 131 HD2 HIS 131 -9.236 10.395 24.060 1002 HE1 HIS 131 HE1 HIS 131 -10.812 10.682 27.985 1003 HE2 HIS 131 HE2 HIS 131 -11.300 10.068 25.592 1004 H HIS 132 H HIS 132 -4.283 11.881 24.554 1005 HA HIS 132 HA HIS 132 -2.135 12.626 26.202 1006 1HB HIS 132 1HB HIS 132 -2.870 10.502 27.382 1007 2HB HIS 132 2HB HIS 132 -2.442 9.625 25.918 1008 HD1 HIS 132 HD1 HIS 132 -1.032 10.990 29.013 1009 HD2 HIS 132 HD2 HIS 132 0.404 9.733 25.312 1010 HE1 HIS 132 HE1 HIS 132 1.442 10.656 29.319 1011 HE2 HIS 132 HE2 HIS 132 2.283 9.816 27.096 Start of MODEL 18 1 1H MET 1 1HT MET 1 4.122 -0.531 -19.453 2 2H MET 1 2HT MET 1 2.996 -1.147 -18.340 3 3H MET 1 3HT MET 1 4.305 -0.219 -17.799 4 HA MET 1 HA MET 1 2.177 0.998 -17.831 5 1HB MET 1 1HB MET 1 4.329 2.171 -17.929 6 2HB MET 1 2HB MET 1 4.367 1.983 -19.676 7 1HG MET 1 1HG MET 1 2.395 3.400 -19.880 8 2HG MET 1 2HG MET 1 2.333 3.573 -18.126 9 1HE MET 1 1HE MET 1 2.305 6.226 -18.374 10 2HE MET 1 2HE MET 1 2.350 6.048 -20.128 11 3HE MET 1 3HE MET 1 3.491 7.126 -19.321 12 HA PRO 2 HA PRO 2 -0.318 0.087 -21.442 13 1HB PRO 2 1HB PRO 2 -2.110 2.147 -20.343 14 2HB PRO 2 2HB PRO 2 -2.420 0.434 -20.640 15 1HG PRO 2 1HG PRO 2 -2.176 1.418 -18.153 16 2HG PRO 2 2HG PRO 2 -1.612 -0.208 -18.579 17 1HD PRO 2 1HD PRO 2 -0.035 2.315 -18.226 18 2HD PRO 2 2HD PRO 2 0.351 0.662 -17.702 19 H LEU 3 H LEU 3 0.279 0.936 -23.348 20 HA LEU 3 HA LEU 3 1.088 3.714 -23.455 21 1HB LEU 3 1HB LEU 3 1.222 1.535 -25.531 22 2HB LEU 3 2HB LEU 3 1.840 3.160 -25.756 23 HG LEU 3 HG LEU 3 2.831 1.133 -23.751 24 1HD1 LEU 3 1HD1 LEU 3 4.885 1.207 -25.076 25 2HD1 LEU 3 2HD1 LEU 3 3.511 0.652 -26.033 26 3HD1 LEU 3 3HD1 LEU 3 4.107 2.302 -26.219 27 1HD2 LEU 3 1HD2 LEU 3 3.774 3.950 -24.280 28 2HD2 LEU 3 2HD2 LEU 3 2.947 3.388 -22.828 29 3HD2 LEU 3 3HD2 LEU 3 4.558 2.784 -23.215 30 H ASN 4 H ASN 4 -1.194 4.366 -23.070 31 HA ASN 4 HA ASN 4 -2.123 5.266 -25.699 32 1HB ASN 4 1HB ASN 4 -3.683 3.460 -24.866 33 2HB ASN 4 2HB ASN 4 -4.053 4.498 -23.493 34 1HD2 ASN 4 2HD2 ASN 4 -6.227 4.583 -24.105 35 2HD2 ASN 4 1HD2 ASN 4 -6.756 5.549 -25.437 36 H GLN 5 H GLN 5 -0.537 6.053 -23.288 37 HA GLN 5 HA GLN 5 -1.328 8.805 -23.226 38 1HB GLN 5 1HB GLN 5 -2.745 7.939 -21.420 39 2HB GLN 5 2HB GLN 5 -1.356 7.156 -20.680 40 1HG GLN 5 1HG GLN 5 -1.869 9.144 -19.463 41 2HG GLN 5 2HG GLN 5 -0.347 9.382 -20.317 42 1HE2 GLN 5 2HE2 GLN 5 -3.669 10.310 -20.067 43 2HE2 GLN 5 1HE2 GLN 5 -3.581 11.698 -21.099 44 H GLU 6 H GLU 6 0.614 9.499 -23.883 45 HA GLU 6 HA GLU 6 3.038 8.124 -23.302 46 1HB GLU 6 1HB GLU 6 2.169 10.122 -25.090 47 2HB GLU 6 2HB GLU 6 3.475 10.840 -24.158 48 1HG GLU 6 1HG GLU 6 3.720 8.172 -25.511 49 2HG GLU 6 2HG GLU 6 4.117 9.692 -26.308 50 H HIS 7 H HIS 7 2.155 11.486 -22.531 51 HA HIS 7 HA HIS 7 3.168 11.115 -19.825 52 1HB HIS 7 1HB HIS 7 4.248 13.192 -21.735 53 2HB HIS 7 2HB HIS 7 4.444 13.292 -19.990 54 HD1 HIS 7 HD1 HIS 7 5.903 11.349 -18.877 55 HD2 HIS 7 HD2 HIS 7 6.073 11.618 -23.028 56 HE1 HIS 7 HE1 HIS 7 7.928 10.023 -19.563 57 HE2 HIS 7 HE2 HIS 7 7.922 10.075 -22.081 58 HA PRO 8 HA PRO 8 -0.508 13.718 -19.366 59 1HB PRO 8 1HB PRO 8 -0.269 12.866 -16.575 60 2HB PRO 8 2HB PRO 8 -1.610 12.635 -17.698 61 1HG PRO 8 1HG PRO 8 -0.054 10.588 -16.866 62 2HG PRO 8 2HG PRO 8 -0.782 10.634 -18.483 63 1HD PRO 8 1HD PRO 8 2.023 11.277 -17.646 64 2HD PRO 8 2HD PRO 8 1.449 10.380 -19.069 65 H ASP 9 H ASP 9 -0.909 15.481 -17.695 66 HA ASP 9 HA ASP 9 1.472 17.095 -17.619 67 1HB ASP 9 1HB ASP 9 -0.783 18.006 -18.168 68 2HB ASP 9 2HB ASP 9 -1.265 17.722 -16.498 69 H TYR 10 H TYR 10 2.931 16.467 -16.148 70 HA TYR 10 HA TYR 10 3.961 16.139 -14.171 71 1HB TYR 10 1HB TYR 10 1.731 17.929 -13.433 72 2HB TYR 10 2HB TYR 10 2.500 17.064 -12.105 73 HD1 TYR 10 HD1 TYR 10 2.918 19.646 -14.652 74 HD2 TYR 10 HD2 TYR 10 4.850 17.443 -11.572 75 HE1 TYR 10 HE1 TYR 10 4.758 21.278 -14.646 76 HE2 TYR 10 HE2 TYR 10 6.690 19.069 -11.552 77 HH TYR 10 HH TYR 10 6.494 22.082 -13.016 78 H THR 11 H THR 11 4.148 14.084 -13.755 79 HA THR 11 HA THR 11 1.990 12.331 -13.206 80 HB THR 11 HB THR 11 4.941 11.904 -12.688 81 HG1 THR 11 HG1 THR 11 3.350 11.823 -15.015 82 1HG2 THR 11 1HG2 THR 11 2.696 9.935 -13.160 83 2HG2 THR 11 2HG2 THR 11 4.402 9.528 -12.967 84 3HG2 THR 11 3HG2 THR 11 3.506 10.231 -11.621 85 H TYR 12 H TYR 12 1.029 11.838 -11.325 86 HA TYR 12 HA TYR 12 1.838 13.029 -8.857 87 1HB TYR 12 1HB TYR 12 -0.211 10.942 -9.574 88 2HB TYR 12 2HB TYR 12 0.136 11.340 -7.897 89 HD1 TYR 12 HD1 TYR 12 -0.904 13.158 -6.873 90 HD2 TYR 12 HD2 TYR 12 -0.982 12.849 -11.116 91 HE1 TYR 12 HE1 TYR 12 -2.498 15.025 -6.972 92 HE2 TYR 12 HE2 TYR 12 -2.577 14.718 -11.225 93 HH TYR 12 HH TYR 12 -3.357 16.643 -8.428 94 H ALA 13 H ALA 13 3.986 12.388 -8.619 95 HA ALA 13 HA ALA 13 4.397 9.528 -8.078 96 1HB ALA 13 1HB ALA 13 6.435 11.573 -8.946 97 2HB ALA 13 2HB ALA 13 6.737 9.860 -8.660 98 3HB ALA 13 3HB ALA 13 5.687 10.362 -9.986 99 H LEU 14 H LEU 14 5.678 8.932 -6.326 100 HA LEU 14 HA LEU 14 5.407 10.507 -3.989 101 1HB LEU 14 1HB LEU 14 5.471 8.023 -4.041 102 2HB LEU 14 2HB LEU 14 7.163 8.099 -4.487 103 HG LEU 14 HG LEU 14 7.653 9.202 -2.320 104 1HD1 LEU 14 1HD1 LEU 14 5.460 10.194 -1.915 105 2HD1 LEU 14 2HD1 LEU 14 4.762 8.587 -1.722 106 3HD1 LEU 14 3HD1 LEU 14 5.956 9.174 -0.565 107 1HD2 LEU 14 1HD2 LEU 14 7.328 7.181 -0.954 108 2HD2 LEU 14 2HD2 LEU 14 6.252 6.537 -2.194 109 3HD2 LEU 14 3HD2 LEU 14 7.955 6.816 -2.562 110 H ARG 15 H ARG 15 6.928 11.706 -2.872 111 HA ARG 15 HA ARG 15 9.248 12.512 -4.473 112 1HB ARG 15 1HB ARG 15 7.376 14.042 -3.253 113 2HB ARG 15 2HB ARG 15 8.584 13.965 -1.981 114 1HG ARG 15 1HG ARG 15 8.845 15.935 -3.416 115 2HG ARG 15 2HG ARG 15 10.258 14.876 -3.461 116 1HD ARG 15 1HD ARG 15 9.814 14.151 -5.601 117 2HD ARG 15 2HD ARG 15 8.094 14.511 -5.478 118 HE ARG 15 HE ARG 15 9.685 16.877 -5.363 119 1HH1 ARG 15 1HH1 ARG 15 8.483 14.447 -7.581 120 2HH1 ARG 15 2HH1 ARG 15 8.291 15.558 -8.907 121 1HH2 ARG 15 1HH2 ARG 15 9.455 18.346 -7.107 122 2HH2 ARG 15 2HH2 ARG 15 8.864 17.781 -8.640 123 H ALA 16 H ALA 16 8.416 11.895 -1.074 124 HA ALA 16 HA ALA 16 10.642 10.185 -0.637 125 1HB ALA 16 1HB ALA 16 11.890 11.585 0.928 126 2HB ALA 16 2HB ALA 16 11.863 12.312 -0.678 127 3HB ALA 16 3HB ALA 16 10.812 12.940 0.593 128 H ALA 17 H ALA 17 10.849 9.761 1.805 129 HA ALA 17 HA ALA 17 8.192 9.983 3.055 130 1HB ALA 17 1HB ALA 17 8.737 7.979 4.312 131 2HB ALA 17 2HB ALA 17 8.865 7.677 2.579 132 3HB ALA 17 3HB ALA 17 10.325 7.910 3.543 133 H ASP 18 H ASP 18 8.054 11.055 4.942 134 HA ASP 18 HA ASP 18 10.547 12.275 5.870 135 1HB ASP 18 1HB ASP 18 8.526 13.648 5.132 136 2HB ASP 18 2HB ASP 18 7.732 13.091 6.599 137 H GLY 19 H GLY 19 8.389 9.849 6.715 138 1HA GLY 19 1HA GLY 19 8.398 8.473 8.589 139 2HA GLY 19 2HA GLY 19 9.570 9.554 9.338 140 H ARG 20 H ARG 20 6.463 8.456 9.503 141 HA ARG 20 HA ARG 20 4.524 9.110 10.484 142 1HB ARG 20 1HB ARG 20 6.305 11.218 11.726 143 2HB ARG 20 2HB ARG 20 4.631 10.941 12.191 144 1HG ARG 20 1HG ARG 20 5.115 8.812 13.063 145 2HG ARG 20 2HG ARG 20 6.696 8.766 12.286 146 1HD ARG 20 1HD ARG 20 6.850 9.180 14.701 147 2HD ARG 20 2HD ARG 20 7.506 10.509 13.749 148 HE ARG 20 HE ARG 20 5.831 11.880 14.526 149 1HH1 ARG 20 1HH1 ARG 20 5.140 8.559 15.443 150 2HH1 ARG 20 2HH1 ARG 20 3.881 9.003 16.566 151 1HH2 ARG 20 1HH2 ARG 20 4.219 12.446 16.045 152 2HH2 ARG 20 2HH2 ARG 20 3.403 11.199 16.946 153 H HIS 21 H HIS 21 5.941 10.561 8.087 154 HA HIS 21 HA HIS 21 3.616 12.120 7.371 155 1HB HIS 21 1HB HIS 21 6.364 13.348 7.611 156 2HB HIS 21 2HB HIS 21 5.128 14.021 6.560 157 HD1 HIS 21 HD1 HIS 21 6.430 14.326 9.894 158 HD2 HIS 21 HD2 HIS 21 2.675 14.669 8.131 159 HE1 HIS 21 HE1 HIS 21 5.026 15.633 11.524 160 HE2 HIS 21 HE2 HIS 21 2.716 15.677 10.506 161 H ALA 22 H ALA 22 3.391 12.303 5.135 162 HA ALA 22 HA ALA 22 5.375 10.790 3.562 163 1HB ALA 22 1HB ALA 22 3.549 10.078 2.103 164 2HB ALA 22 2HB ALA 22 3.261 9.577 3.769 165 3HB ALA 22 3HB ALA 22 2.396 10.963 3.104 166 H LYS 23 H LYS 23 6.157 11.720 1.748 167 HA LYS 23 HA LYS 23 5.221 14.457 1.194 168 1HB LYS 23 1HB LYS 23 7.613 13.940 2.088 169 2HB LYS 23 2HB LYS 23 7.932 13.387 0.453 170 1HG LYS 23 1HG LYS 23 7.363 15.599 -0.410 171 2HG LYS 23 2HG LYS 23 7.043 16.156 1.236 172 1HD LYS 23 1HD LYS 23 9.415 15.446 1.786 173 2HD LYS 23 2HD LYS 23 9.664 15.271 0.049 174 1HE LYS 23 1HE LYS 23 10.458 17.431 0.754 175 2HE LYS 23 2HE LYS 23 9.019 17.638 -0.243 176 1HZ LYS 23 1HZ LYS 23 7.717 18.102 1.654 177 2HZ LYS 23 2HZ LYS 23 8.932 17.599 2.723 178 3HZ LYS 23 3HZ LYS 23 9.123 19.025 1.827 179 H VAL 24 H VAL 24 3.789 14.185 -0.452 180 HA VAL 24 HA VAL 24 4.691 12.624 -2.790 181 HB VAL 24 HB VAL 24 1.851 13.357 -2.043 182 1HG1 VAL 24 1HG1 VAL 24 2.165 13.126 -4.444 183 2HG1 VAL 24 2HG1 VAL 24 2.920 11.549 -4.209 184 3HG1 VAL 24 3HG1 VAL 24 1.218 11.781 -3.810 185 1HG2 VAL 24 1HG2 VAL 24 3.288 10.713 -1.806 186 2HG2 VAL 24 2HG2 VAL 24 2.770 11.742 -0.470 187 3HG2 VAL 24 3HG2 VAL 24 1.570 10.979 -1.511 188 H ASN 25 H ASN 25 5.366 13.818 -4.415 189 HA ASN 25 HA ASN 25 5.754 15.543 -5.827 190 1HB ASN 25 1HB ASN 25 3.316 15.210 -6.332 191 2HB ASN 25 2HB ASN 25 2.944 16.458 -5.151 192 1HD2 ASN 25 2HD2 ASN 25 2.349 16.404 -7.975 193 2HD2 ASN 25 1HD2 ASN 25 3.105 17.796 -8.664 194 H GLU 26 H GLU 26 3.588 17.455 -3.801 195 HA GLU 26 HA GLU 26 5.901 18.772 -2.559 196 1HB GLU 26 1HB GLU 26 4.772 20.965 -2.870 197 2HB GLU 26 2HB GLU 26 5.249 20.218 -4.391 198 1HG GLU 26 1HG GLU 26 3.059 19.686 -4.961 199 2HG GLU 26 2HG GLU 26 2.487 19.852 -3.302 200 H GLN 27 H GLN 27 3.125 17.102 -2.104 201 HA GLN 27 HA GLN 27 2.085 18.802 0.042 202 1HB GLN 27 1HB GLN 27 0.772 16.411 -1.259 203 2HB GLN 27 2HB GLN 27 0.017 17.564 -0.167 204 1HG GLN 27 1HG GLN 27 0.352 19.336 -1.835 205 2HG GLN 27 2HG GLN 27 1.050 18.149 -2.933 206 1HE2 GLN 27 2HE2 GLN 27 -1.261 19.826 -3.320 207 2HE2 GLN 27 1HE2 GLN 27 -2.604 18.759 -3.595 208 H ILE 28 H ILE 28 2.330 18.259 2.085 209 HA ILE 28 HA ILE 28 3.453 15.670 2.775 210 HB ILE 28 HB ILE 28 2.734 18.002 4.566 211 1HG1 ILE 28 1HG1 ILE 28 5.418 17.097 3.497 212 2HG1 ILE 28 2HG1 ILE 28 4.538 18.526 2.969 213 1HG2 ILE 28 1HG2 ILE 28 4.099 16.860 6.251 214 2HG2 ILE 28 2HG2 ILE 28 2.715 15.881 5.764 215 3HG2 ILE 28 3HG2 ILE 28 4.324 15.505 5.146 216 1HD1 ILE 28 1HD1 ILE 28 5.642 18.052 5.728 217 2HD1 ILE 28 2HD1 ILE 28 6.329 19.109 4.494 218 3HD1 ILE 28 3HD1 ILE 28 4.759 19.485 5.201 219 H LEU 29 H LEU 29 2.102 14.030 2.940 220 HA LEU 29 HA LEU 29 -0.677 14.526 3.693 221 1HB LEU 29 1HB LEU 29 0.654 12.062 2.567 222 2HB LEU 29 2HB LEU 29 -1.054 12.196 2.937 223 HG LEU 29 HG LEU 29 0.435 13.803 0.857 224 1HD1 LEU 29 1HD1 LEU 29 -1.605 11.600 0.586 225 2HD1 LEU 29 2HD1 LEU 29 -0.924 12.543 -0.740 226 3HD1 LEU 29 3HD1 LEU 29 0.113 11.479 0.210 227 1HD2 LEU 29 1HD2 LEU 29 -2.493 13.784 1.583 228 2HD2 LEU 29 2HD2 LEU 29 -1.359 15.102 1.876 229 3HD2 LEU 29 3HD2 LEU 29 -1.773 14.646 0.223 230 H GLN 30 H GLN 30 -1.639 13.703 5.437 231 HA GLN 30 HA GLN 30 -0.075 11.982 7.253 232 1HB GLN 30 1HB GLN 30 -1.952 14.200 8.107 233 2HB GLN 30 2HB GLN 30 -0.973 13.188 9.160 234 1HG GLN 30 1HG GLN 30 1.055 14.159 8.178 235 2HG GLN 30 2HG GLN 30 0.051 15.206 7.178 236 1HE2 GLN 30 2HE2 GLN 30 -1.116 16.875 8.160 237 2HE2 GLN 30 1HE2 GLN 30 -0.711 17.462 9.733 238 H GLN 31 H GLN 31 -1.997 11.400 5.189 239 HA GLN 31 HA GLN 31 -4.262 10.364 6.755 240 1HB GLN 31 1HB GLN 31 -4.152 11.434 3.934 241 2HB GLN 31 2HB GLN 31 -5.494 10.465 4.523 242 1HG GLN 31 1HG GLN 31 -4.641 12.954 5.945 243 2HG GLN 31 2HG GLN 31 -5.715 13.015 4.548 244 1HE2 GLN 31 2HE2 GLN 31 -7.006 10.510 5.155 245 2HE2 GLN 31 1HE2 GLN 31 -8.055 10.804 6.499 246 H SER 32 H SER 32 -5.276 8.427 5.719 247 HA SER 32 HA SER 32 -3.322 6.528 4.785 248 1HB SER 32 1HB SER 32 -6.325 6.180 4.886 249 2HB SER 32 2HB SER 32 -5.089 4.923 4.943 250 HG SER 32 HG SER 32 -5.898 5.323 7.017 251 H PHE 33 H PHE 33 -2.773 6.352 2.673 252 HA PHE 33 HA PHE 33 -4.817 6.960 0.670 253 1HB PHE 33 1HB PHE 33 -3.311 8.363 -0.625 254 2HB PHE 33 2HB PHE 33 -3.525 9.033 0.987 255 HD1 PHE 33 HD1 PHE 33 -1.191 7.598 -1.389 256 HD2 PHE 33 HD2 PHE 33 -1.698 8.923 2.622 257 HE1 PHE 33 HE1 PHE 33 1.251 7.674 -1.110 258 HE2 PHE 33 HE2 PHE 33 0.742 9.002 2.909 259 HZ PHE 33 HZ PHE 33 2.220 8.377 1.042 260 H ILE 34 H ILE 34 -4.351 6.182 -1.435 261 HA ILE 34 HA ILE 34 -2.460 3.916 -1.472 262 HB ILE 34 HB ILE 34 -5.013 4.178 -3.076 263 1HG1 ILE 34 1HG1 ILE 34 -4.497 2.409 -0.677 264 2HG1 ILE 34 2HG1 ILE 34 -5.400 3.920 -0.612 265 1HG2 ILE 34 1HG2 ILE 34 -4.639 1.806 -3.586 266 2HG2 ILE 34 2HG2 ILE 34 -3.309 2.817 -4.151 267 3HG2 ILE 34 3HG2 ILE 34 -3.126 1.859 -2.681 268 1HD1 ILE 34 1HD1 ILE 34 -6.893 2.018 -0.699 269 2HD1 ILE 34 2HD1 ILE 34 -7.046 2.991 -2.162 270 3HD1 ILE 34 3HD1 ILE 34 -6.145 1.476 -2.202 271 H LEU 35 H LEU 35 -0.767 4.377 -2.731 272 HA LEU 35 HA LEU 35 -1.161 6.250 -4.958 273 1HB LEU 35 1HB LEU 35 0.491 6.971 -3.339 274 2HB LEU 35 2HB LEU 35 1.347 5.448 -3.483 275 HG LEU 35 HG LEU 35 1.945 5.992 -5.802 276 1HD1 LEU 35 1HD1 LEU 35 1.519 8.211 -6.705 277 2HD1 LEU 35 2HD1 LEU 35 0.006 7.373 -6.362 278 3HD1 LEU 35 3HD1 LEU 35 0.585 8.629 -5.268 279 1HD2 LEU 35 1HD2 LEU 35 3.514 7.798 -5.311 280 2HD2 LEU 35 2HD2 LEU 35 2.630 8.168 -3.831 281 3HD2 LEU 35 3HD2 LEU 35 3.458 6.619 -4.000 282 H MET 36 H MET 36 -1.235 5.478 -6.903 283 HA MET 36 HA MET 36 0.411 3.140 -7.601 284 1HB MET 36 1HB MET 36 -2.341 3.894 -8.615 285 2HB MET 36 2HB MET 36 -1.313 2.712 -9.412 286 1HG MET 36 1HG MET 36 -1.298 1.393 -7.308 287 2HG MET 36 2HG MET 36 -2.459 2.537 -6.638 288 1HE MET 36 1HE MET 36 -4.089 0.497 -6.096 289 2HE MET 36 2HE MET 36 -2.930 -0.632 -6.798 290 3HE MET 36 3HE MET 36 -4.619 -0.677 -7.302 291 HA PRO 37 HA PRO 37 2.571 5.371 -10.747 292 1HB PRO 37 1HB PRO 37 0.994 3.844 -12.784 293 2HB PRO 37 2HB PRO 37 2.730 4.170 -12.721 294 1HG PRO 37 1HG PRO 37 1.760 1.800 -11.980 295 2HG PRO 37 2HG PRO 37 3.113 2.548 -11.115 296 1HD PRO 37 1HD PRO 37 0.290 2.218 -10.279 297 2HD PRO 37 2HD PRO 37 1.755 2.348 -9.287 298 H ASP 38 H ASP 38 1.742 7.402 -10.471 299 HA ASP 38 HA ASP 38 0.977 9.378 -11.262 300 1HB ASP 38 1HB ASP 38 1.304 8.594 -13.536 301 2HB ASP 38 2HB ASP 38 -0.241 7.754 -13.501 302 H GLU 39 H GLU 39 -1.182 6.743 -10.664 303 HA GLU 39 HA GLU 39 -3.403 8.597 -10.228 304 1HB GLU 39 1HB GLU 39 -3.292 5.586 -10.292 305 2HB GLU 39 2HB GLU 39 -4.718 6.481 -9.785 306 1HG GLU 39 1HG GLU 39 -4.550 7.663 -12.046 307 2HG GLU 39 2HG GLU 39 -3.441 6.365 -12.491 308 H LEU 40 H LEU 40 -3.340 9.572 -8.349 309 HA LEU 40 HA LEU 40 -2.500 8.067 -5.973 310 1HB LEU 40 1HB LEU 40 -1.258 10.104 -6.299 311 2HB LEU 40 2HB LEU 40 -2.734 11.029 -6.494 312 HG LEU 40 HG LEU 40 -3.299 10.568 -4.118 313 1HD1 LEU 40 1HD1 LEU 40 -2.046 8.490 -3.852 314 2HD1 LEU 40 2HD1 LEU 40 -0.532 9.381 -4.006 315 3HD1 LEU 40 3HD1 LEU 40 -1.592 9.678 -2.630 316 1HD2 LEU 40 1HD2 LEU 40 -1.642 12.092 -3.162 317 2HD2 LEU 40 2HD2 LEU 40 -0.619 11.869 -4.580 318 3HD2 LEU 40 3HD2 LEU 40 -2.195 12.645 -4.743 319 H VAL 41 H VAL 41 -4.069 7.242 -4.783 320 HA VAL 41 HA VAL 41 -6.648 8.651 -4.645 321 HB VAL 41 HB VAL 41 -5.985 5.859 -3.677 322 1HG1 VAL 41 1HG1 VAL 41 -8.419 5.585 -3.517 323 2HG1 VAL 41 2HG1 VAL 41 -7.839 6.878 -2.467 324 3HG1 VAL 41 3HG1 VAL 41 -8.636 7.270 -3.991 325 1HG2 VAL 41 1HG2 VAL 41 -7.413 6.731 -6.189 326 2HG2 VAL 41 2HG2 VAL 41 -5.821 5.978 -6.104 327 3HG2 VAL 41 3HG2 VAL 41 -7.253 5.067 -5.625 328 H GLU 42 H GLU 42 -6.307 10.224 -3.161 329 HA GLU 42 HA GLU 42 -4.784 9.621 -0.753 330 1HB GLU 42 1HB GLU 42 -5.439 12.235 -0.484 331 2HB GLU 42 2HB GLU 42 -4.011 11.656 -1.328 332 1HG GLU 42 1HG GLU 42 -5.152 13.348 -2.628 333 2HG GLU 42 2HG GLU 42 -5.199 11.792 -3.452 334 H HIS 43 H HIS 43 -7.922 9.361 -1.640 335 HA HIS 43 HA HIS 43 -8.875 9.991 1.065 336 1HB HIS 43 1HB HIS 43 -10.344 9.839 -1.560 337 2HB HIS 43 2HB HIS 43 -11.189 9.797 -0.017 338 HD1 HIS 43 HD1 HIS 43 -11.115 12.105 -2.364 339 HD2 HIS 43 HD2 HIS 43 -9.443 12.208 1.449 340 HE1 HIS 43 HE1 HIS 43 -10.925 14.544 -1.766 341 HE2 HIS 43 HE2 HIS 43 -9.979 14.583 0.574 342 H TRP 44 H TRP 44 -8.054 8.071 1.947 343 HA TRP 44 HA TRP 44 -9.742 5.737 1.333 344 1HB TRP 44 1HB TRP 44 -7.284 5.487 0.744 345 2HB TRP 44 2HB TRP 44 -6.939 5.617 2.463 346 HD1 TRP 44 HD1 TRP 44 -9.916 3.568 1.162 347 HE1 TRP 44 HE1 TRP 44 -9.495 1.085 1.701 348 HE3 TRP 44 HE3 TRP 44 -5.121 3.919 2.900 349 HZ2 TRP 44 HZ2 TRP 44 -7.398 -0.511 2.715 350 HZ3 TRP 44 HZ3 TRP 44 -3.977 1.869 3.628 351 HH2 TRP 44 HH2 TRP 44 -5.092 -0.301 3.537 352 HA PRO 45 HA PRO 45 -10.939 7.104 5.431 353 1HB PRO 45 1HB PRO 45 -13.344 5.920 5.489 354 2HB PRO 45 2HB PRO 45 -13.022 7.328 4.467 355 1HG PRO 45 1HG PRO 45 -13.112 4.428 3.725 356 2HG PRO 45 2HG PRO 45 -13.792 5.822 2.867 357 1HD PRO 45 1HD PRO 45 -11.417 4.637 2.200 358 2HD PRO 45 2HD PRO 45 -11.791 6.342 1.878 359 H VAL 46 H VAL 46 -9.104 4.922 5.392 360 HA VAL 46 HA VAL 46 -10.324 3.143 7.401 361 HB VAL 46 HB VAL 46 -7.898 2.622 5.668 362 1HG1 VAL 46 1HG1 VAL 46 -7.663 1.603 7.875 363 2HG1 VAL 46 2HG1 VAL 46 -9.251 0.852 7.707 364 3HG1 VAL 46 3HG1 VAL 46 -7.931 0.371 6.641 365 1HG2 VAL 46 1HG2 VAL 46 -9.289 0.877 4.648 366 2HG2 VAL 46 2HG2 VAL 46 -10.652 1.389 5.642 367 3HG2 VAL 46 3HG2 VAL 46 -9.990 2.481 4.426 368 HA PRO 47 HA PRO 47 -7.506 5.404 10.056 369 1HB PRO 47 1HB PRO 47 -8.958 4.522 12.326 370 2HB PRO 47 2HB PRO 47 -9.105 6.076 11.505 371 1HG PRO 47 1HG PRO 47 -11.062 4.082 11.605 372 2HG PRO 47 2HG PRO 47 -11.035 5.462 10.495 373 1HD PRO 47 1HD PRO 47 -10.234 2.630 10.023 374 2HD PRO 47 2HD PRO 47 -10.973 3.799 8.907 375 H SER 48 H SER 48 -5.668 4.155 9.869 376 HA SER 48 HA SER 48 -4.012 2.768 10.556 377 1HB SER 48 1HB SER 48 -4.693 3.604 12.827 378 2HB SER 48 2HB SER 48 -5.758 2.209 12.971 379 HG SER 48 HG SER 48 -2.957 2.337 13.009 380 H LEU 49 H LEU 49 -4.220 0.263 11.943 381 HA LEU 49 HA LEU 49 -5.179 -1.327 9.720 382 1HB LEU 49 1HB LEU 49 -3.821 -2.168 12.279 383 2HB LEU 49 2HB LEU 49 -4.152 -3.214 10.910 384 HG LEU 49 HG LEU 49 -2.281 -0.843 10.929 385 1HD1 LEU 49 1HD1 LEU 49 -0.544 -2.526 10.617 386 2HD1 LEU 49 2HD1 LEU 49 -1.421 -2.782 12.125 387 3HD1 LEU 49 3HD1 LEU 49 -1.756 -3.803 10.727 388 1HD2 LEU 49 1HD2 LEU 49 -2.921 -2.787 8.712 389 2HD2 LEU 49 2HD2 LEU 49 -3.396 -1.089 8.768 390 3HD2 LEU 49 3HD2 LEU 49 -1.691 -1.525 8.663 391 H GLY 50 H GLY 50 -6.680 -0.027 12.276 392 1HA GLY 50 1HA GLY 50 -8.260 -2.314 13.089 393 2HA GLY 50 2HA GLY 50 -8.482 -0.649 13.614 394 H GLN 51 H GLN 51 -10.092 -2.973 12.213 395 HA GLN 51 HA GLN 51 -11.994 -3.064 10.970 396 1HB GLN 51 1HB GLN 51 -12.486 -0.757 11.807 397 2HB GLN 51 2HB GLN 51 -11.633 -0.109 10.413 398 1HG GLN 51 1HG GLN 51 -13.269 -1.301 8.956 399 2HG GLN 51 2HG GLN 51 -14.168 -1.726 10.412 400 1HE2 GLN 51 2HE2 GLN 51 -13.547 0.841 11.699 401 2HE2 GLN 51 1HE2 GLN 51 -14.555 2.015 10.922 402 H LEU 52 H LEU 52 -8.971 -2.516 9.944 403 HA LEU 52 HA LEU 52 -9.409 -2.241 7.128 404 1HB LEU 52 1HB LEU 52 -7.310 -1.499 8.113 405 2HB LEU 52 2HB LEU 52 -6.967 -3.127 8.666 406 HG LEU 52 HG LEU 52 -6.800 -3.886 6.329 407 1HD1 LEU 52 1HD1 LEU 52 -8.321 -2.278 5.310 408 2HD1 LEU 52 2HD1 LEU 52 -7.178 -0.976 5.642 409 3HD1 LEU 52 3HD1 LEU 52 -6.747 -2.262 4.513 410 1HD2 LEU 52 1HD2 LEU 52 -4.792 -3.171 7.501 411 2HD2 LEU 52 2HD2 LEU 52 -4.700 -2.757 5.789 412 3HD2 LEU 52 3HD2 LEU 52 -5.066 -1.509 6.980 413 H GLN 53 H GLN 53 -10.697 -3.781 6.366 414 HA GLN 53 HA GLN 53 -9.577 -6.460 6.138 415 1HB GLN 53 1HB GLN 53 -12.361 -5.842 7.154 416 2HB GLN 53 2HB GLN 53 -11.907 -7.412 6.509 417 1HG GLN 53 1HG GLN 53 -10.155 -7.567 8.253 418 2HG GLN 53 2HG GLN 53 -10.758 -6.057 8.936 419 1HE2 GLN 53 2HE2 GLN 53 -10.611 -8.738 10.088 420 2HE2 GLN 53 1HE2 GLN 53 -12.230 -9.149 10.545 421 HA PRO 54 HA PRO 54 -10.833 -6.493 1.880 422 1HB PRO 54 1HB PRO 54 -12.972 -8.475 2.554 423 2HB PRO 54 2HB PRO 54 -11.791 -8.500 1.238 424 1HG PRO 54 1HG PRO 54 -11.418 -10.002 3.389 425 2HG PRO 54 2HG PRO 54 -10.054 -9.156 2.635 426 1HD PRO 54 1HD PRO 54 -11.508 -8.537 5.156 427 2HD PRO 54 2HD PRO 54 -9.801 -8.282 4.744 428 H ALA 55 H ALA 55 -13.368 -6.120 4.259 429 HA ALA 55 HA ALA 55 -15.470 -5.236 2.655 430 1HB ALA 55 1HB ALA 55 -15.698 -5.760 5.037 431 2HB ALA 55 2HB ALA 55 -14.755 -4.325 5.441 432 3HB ALA 55 3HB ALA 55 -16.329 -4.157 4.662 433 H HIS 56 H HIS 56 -13.063 -3.228 4.393 434 HA HIS 56 HA HIS 56 -13.788 -0.993 2.644 435 1HB HIS 56 1HB HIS 56 -12.526 -1.170 5.341 436 2HB HIS 56 2HB HIS 56 -12.159 0.227 4.330 437 HD1 HIS 56 HD1 HIS 56 -14.863 -1.292 6.389 438 HD2 HIS 56 HD2 HIS 56 -14.371 1.907 3.775 439 HE1 HIS 56 HE1 HIS 56 -16.900 0.147 6.685 440 HE2 HIS 56 HE2 HIS 56 -16.687 1.936 4.924 441 H MET 57 H MET 57 -11.657 -3.445 2.667 442 HA MET 57 HA MET 57 -9.518 -1.984 1.318 443 1HB MET 57 1HB MET 57 -9.023 -3.876 2.895 444 2HB MET 57 2HB MET 57 -9.838 -4.963 1.783 445 1HG MET 57 1HG MET 57 -8.173 -4.406 0.060 446 2HG MET 57 2HG MET 57 -7.341 -3.378 1.226 447 1HE MET 57 1HE MET 57 -5.071 -4.721 0.777 448 2HE MET 57 2HE MET 57 -5.922 -5.731 -0.392 449 3HE MET 57 3HE MET 57 -4.950 -6.478 0.877 450 H ASP 58 H ASP 58 -12.493 -2.820 0.580 451 HA ASP 58 HA ASP 58 -12.507 -4.450 -1.655 452 1HB ASP 58 1HB ASP 58 -14.549 -3.736 -0.500 453 2HB ASP 58 2HB ASP 58 -14.307 -2.089 -1.076 454 H ALA 59 H ALA 59 -12.032 -0.947 -1.467 455 HA ALA 59 HA ALA 59 -12.021 -0.350 -4.181 456 1HB ALA 59 1HB ALA 59 -10.341 0.926 -2.024 457 2HB ALA 59 2HB ALA 59 -10.724 1.628 -3.596 458 3HB ALA 59 3HB ALA 59 -12.007 1.350 -2.419 459 H VAL 60 H VAL 60 -9.408 -1.520 -2.118 460 HA VAL 60 HA VAL 60 -7.366 -1.370 -4.091 461 HB VAL 60 HB VAL 60 -7.440 -3.212 -1.693 462 1HG1 VAL 60 1HG1 VAL 60 -5.136 -2.043 -3.248 463 2HG1 VAL 60 2HG1 VAL 60 -5.000 -3.056 -1.811 464 3HG1 VAL 60 3HG1 VAL 60 -5.682 -3.720 -3.296 465 1HG2 VAL 60 1HG2 VAL 60 -6.483 -0.355 -1.849 466 2HG2 VAL 60 2HG2 VAL 60 -7.892 -0.938 -0.964 467 3HG2 VAL 60 3HG2 VAL 60 -6.274 -1.434 -0.469 468 H LEU 61 H LEU 61 -9.530 -3.923 -2.965 469 HA LEU 61 HA LEU 61 -8.400 -5.980 -4.573 470 1HB LEU 61 1HB LEU 61 -11.129 -5.800 -3.297 471 2HB LEU 61 2HB LEU 61 -10.416 -7.255 -3.968 472 HG LEU 61 HG LEU 61 -9.352 -5.722 -1.592 473 1HD1 LEU 61 1HD1 LEU 61 -11.442 -6.861 -1.092 474 2HD1 LEU 61 2HD1 LEU 61 -10.796 -8.363 -1.751 475 3HD1 LEU 61 3HD1 LEU 61 -10.086 -7.662 -0.297 476 1HD2 LEU 61 1HD2 LEU 61 -8.462 -8.332 -2.819 477 2HD2 LEU 61 2HD2 LEU 61 -7.571 -6.809 -2.848 478 3HD2 LEU 61 3HD2 LEU 61 -7.850 -7.638 -1.317 479 H ALA 62 H ALA 62 -10.839 -3.557 -5.100 480 HA ALA 62 HA ALA 62 -12.045 -4.696 -7.399 481 1HB ALA 62 1HB ALA 62 -11.835 -1.792 -6.607 482 2HB ALA 62 2HB ALA 62 -12.946 -2.468 -7.800 483 3HB ALA 62 3HB ALA 62 -13.103 -2.909 -6.100 484 H LEU 63 H LEU 63 -9.415 -2.358 -6.951 485 HA LEU 63 HA LEU 63 -8.841 -2.105 -9.735 486 1HB LEU 63 1HB LEU 63 -7.034 -1.602 -7.363 487 2HB LEU 63 2HB LEU 63 -6.767 -1.033 -8.999 488 HG LEU 63 HG LEU 63 -9.042 -0.184 -7.203 489 1HD1 LEU 63 1HD1 LEU 63 -6.568 1.297 -8.079 490 2HD1 LEU 63 2HD1 LEU 63 -7.896 1.969 -7.133 491 3HD1 LEU 63 3HD1 LEU 63 -6.893 0.685 -6.458 492 1HD2 LEU 63 1HD2 LEU 63 -8.234 0.784 -9.944 493 2HD2 LEU 63 2HD2 LEU 63 -9.672 -0.163 -9.559 494 3HD2 LEU 63 3HD2 LEU 63 -9.504 1.478 -8.936 495 H ASN 64 H ASN 64 -7.718 -4.115 -7.115 496 HA ASN 64 HA ASN 64 -6.578 -6.056 -6.995 497 1HB ASN 64 1HB ASN 64 -8.470 -6.767 -8.451 498 2HB ASN 64 2HB ASN 64 -7.466 -6.440 -9.860 499 1HD2 ASN 64 2HD2 ASN 64 -7.527 -8.559 -10.549 500 2HD2 ASN 64 1HD2 ASN 64 -6.665 -9.822 -9.736 501 HA PRO 65 HA PRO 65 -2.828 -4.571 -9.144 502 1HB PRO 65 1HB PRO 65 -1.334 -4.084 -6.984 503 2HB PRO 65 2HB PRO 65 -2.584 -2.949 -7.507 504 1HG PRO 65 1HG PRO 65 -2.630 -4.923 -5.274 505 2HG PRO 65 2HG PRO 65 -3.330 -3.298 -5.352 506 1HD PRO 65 1HD PRO 65 -4.709 -5.700 -5.742 507 2HD PRO 65 2HD PRO 65 -5.284 -4.086 -6.200 508 H ALA 66 H ALA 66 -0.447 -5.328 -8.645 509 HA ALA 66 HA ALA 66 -0.573 -8.241 -8.402 510 1HB ALA 66 1HB ALA 66 1.669 -6.479 -9.389 511 2HB ALA 66 2HB ALA 66 1.630 -8.241 -9.444 512 3HB ALA 66 3HB ALA 66 0.485 -7.304 -10.404 513 H VAL 67 H VAL 67 1.109 -5.432 -7.060 514 HA VAL 67 HA VAL 67 1.769 -7.072 -4.714 515 HB VAL 67 HB VAL 67 3.814 -7.048 -5.991 516 1HG1 VAL 67 1HG1 VAL 67 3.387 -5.129 -7.411 517 2HG1 VAL 67 2HG1 VAL 67 3.579 -4.045 -6.033 518 3HG1 VAL 67 3HG1 VAL 67 4.956 -4.979 -6.619 519 1HG2 VAL 67 1HG2 VAL 67 3.993 -5.088 -3.707 520 2HG2 VAL 67 2HG2 VAL 67 4.057 -6.846 -3.581 521 3HG2 VAL 67 3HG2 VAL 67 5.344 -5.975 -4.414 522 H ILE 68 H ILE 68 1.754 -5.965 -2.748 523 HA ILE 68 HA ILE 68 0.814 -3.175 -2.892 524 HB ILE 68 HB ILE 68 -0.234 -5.292 -1.003 525 1HG1 ILE 68 1HG1 ILE 68 -1.622 -3.899 -3.304 526 2HG1 ILE 68 2HG1 ILE 68 -1.048 -5.563 -3.330 527 1HG2 ILE 68 1HG2 ILE 68 -1.836 -3.561 -0.314 528 2HG2 ILE 68 2HG2 ILE 68 -0.170 -3.092 0.024 529 3HG2 ILE 68 3HG2 ILE 68 -1.017 -2.402 -1.361 530 1HD1 ILE 68 1HD1 ILE 68 -2.602 -6.127 -1.537 531 2HD1 ILE 68 2HD1 ILE 68 -3.175 -4.460 -1.510 532 3HD1 ILE 68 3HD1 ILE 68 -3.440 -5.460 -2.938 533 H LEU 69 H LEU 69 2.098 -1.859 -1.822 534 HA LEU 69 HA LEU 69 3.765 -2.906 0.347 535 1HB LEU 69 1HB LEU 69 3.838 -0.262 -1.116 536 2HB LEU 69 2HB LEU 69 4.908 -0.696 0.203 537 HG LEU 69 HG LEU 69 4.773 -2.106 -2.465 538 1HD1 LEU 69 1HD1 LEU 69 6.827 -0.212 -1.334 539 2HD1 LEU 69 2HD1 LEU 69 6.971 -1.099 -2.851 540 3HD1 LEU 69 3HD1 LEU 69 5.718 0.126 -2.661 541 1HD2 LEU 69 1HD2 LEU 69 6.654 -2.464 -0.135 542 2HD2 LEU 69 2HD2 LEU 69 5.410 -3.604 -0.648 543 3HD2 LEU 69 3HD2 LEU 69 6.784 -3.265 -1.702 544 H LEU 70 H LEU 70 2.743 -2.892 2.233 545 HA LEU 70 HA LEU 70 0.707 -0.868 2.748 546 1HB LEU 70 1HB LEU 70 0.195 -3.249 3.156 547 2HB LEU 70 2HB LEU 70 1.484 -3.314 4.341 548 HG LEU 70 HG LEU 70 0.261 -1.644 5.716 549 1HD1 LEU 70 1HD1 LEU 70 -2.079 -1.171 5.199 550 2HD1 LEU 70 2HD1 LEU 70 -1.005 -0.561 3.939 551 3HD1 LEU 70 3HD1 LEU 70 -1.921 -2.044 3.674 552 1HD2 LEU 70 1HD2 LEU 70 -1.478 -3.185 6.484 553 2HD2 LEU 70 2HD2 LEU 70 -1.285 -4.135 5.011 554 3HD2 LEU 70 3HD2 LEU 70 0.041 -4.026 6.169 555 H GLY 71 H GLY 71 1.270 0.928 3.729 556 1HA GLY 71 1HA GLY 71 3.649 0.953 5.449 557 2HA GLY 71 2HA GLY 71 2.833 2.368 4.793 558 H THR 72 H THR 72 3.137 0.272 7.452 559 HA THR 72 HA THR 72 0.588 0.998 8.629 560 HB THR 72 HB THR 72 1.327 -0.417 10.531 561 HG1 THR 72 HG1 THR 72 3.490 -0.354 10.599 562 1HG2 THR 72 1HG2 THR 72 1.669 -1.709 7.822 563 2HG2 THR 72 2HG2 THR 72 1.312 -2.550 9.331 564 3HG2 THR 72 3HG2 THR 72 0.136 -1.429 8.646 565 H GLY 73 H GLY 73 1.385 3.341 8.402 566 1HA GLY 73 1HA GLY 73 2.141 5.284 9.359 567 2HA GLY 73 2HA GLY 73 1.851 4.471 10.890 568 H GLU 74 H GLU 74 3.555 4.745 12.132 569 HA GLU 74 HA GLU 74 6.232 4.287 10.983 570 1HB GLU 74 1HB GLU 74 5.574 6.628 11.924 571 2HB GLU 74 2HB GLU 74 5.720 5.861 13.497 572 1HG GLU 74 1HG GLU 74 7.762 6.997 12.975 573 2HG GLU 74 2HG GLU 74 8.047 5.256 12.954 574 H ARG 75 H ARG 75 4.287 2.381 12.009 575 HA ARG 75 HA ARG 75 5.924 1.110 14.064 576 1HB ARG 75 1HB ARG 75 4.303 2.262 15.409 577 2HB ARG 75 2HB ARG 75 2.989 1.771 14.352 578 1HG ARG 75 1HG ARG 75 3.389 -0.582 15.044 579 2HG ARG 75 2HG ARG 75 4.584 0.011 16.201 580 1HD ARG 75 1HD ARG 75 2.932 1.221 17.410 581 2HD ARG 75 2HD ARG 75 1.729 0.965 16.148 582 HE ARG 75 HE ARG 75 2.741 -1.458 17.340 583 1HH1 ARG 75 1HH1 ARG 75 0.354 1.094 17.607 584 2HH1 ARG 75 2HH1 ARG 75 -0.816 0.093 18.418 585 1HH2 ARG 75 1HH2 ARG 75 1.236 -2.770 18.424 586 2HH2 ARG 75 2HH2 ARG 75 -0.308 -2.116 18.881 587 H GLN 76 H GLN 76 6.444 -0.722 12.994 588 HA GLN 76 HA GLN 76 4.816 -1.853 10.969 589 1HB GLN 76 1HB GLN 76 7.300 -2.099 11.107 590 2HB GLN 76 2HB GLN 76 7.076 -3.193 12.466 591 1HG GLN 76 1HG GLN 76 5.907 -4.765 11.076 592 2HG GLN 76 2HG GLN 76 5.939 -3.644 9.716 593 1HE2 GLN 76 2HE2 GLN 76 6.974 -6.354 9.909 594 2HE2 GLN 76 1HE2 GLN 76 8.656 -6.251 9.520 595 H GLN 77 H GLN 77 2.942 -2.775 11.326 596 HA GLN 77 HA GLN 77 2.652 -4.654 13.565 597 1HB GLN 77 1HB GLN 77 1.652 -2.544 14.279 598 2HB GLN 77 2HB GLN 77 0.719 -2.452 12.794 599 1HG GLN 77 1HG GLN 77 -0.500 -4.485 13.469 600 2HG GLN 77 2HG GLN 77 0.395 -4.488 14.988 601 1HE2 GLN 77 2HE2 GLN 77 -2.490 -4.222 14.425 602 2HE2 GLN 77 1HE2 GLN 77 -2.974 -2.749 15.191 603 H PHE 78 H PHE 78 1.243 -6.387 13.147 604 HA PHE 78 HA PHE 78 0.878 -7.003 10.373 605 1HB PHE 78 1HB PHE 78 -0.068 -9.141 11.192 606 2HB PHE 78 2HB PHE 78 1.503 -8.788 11.899 607 HD1 PHE 78 HD1 PHE 78 -2.075 -9.144 12.536 608 HD2 PHE 78 HD2 PHE 78 1.716 -8.261 14.255 609 HE1 PHE 78 HE1 PHE 78 -3.023 -9.470 14.781 610 HE2 PHE 78 HE2 PHE 78 0.774 -8.585 16.505 611 HZ PHE 78 HZ PHE 78 -1.597 -9.190 16.771 612 HA PRO 79 HA PRO 79 -3.271 -5.464 10.054 613 1HB PRO 79 1HB PRO 79 -3.719 -7.072 7.704 614 2HB PRO 79 2HB PRO 79 -3.381 -5.344 7.799 615 1HG PRO 79 1HG PRO 79 -1.658 -7.199 6.737 616 2HG PRO 79 2HG PRO 79 -1.156 -5.635 7.402 617 1HD PRO 79 1HD PRO 79 -1.049 -8.351 8.650 618 2HD PRO 79 2HD PRO 79 0.117 -7.014 8.747 619 H SER 80 H SER 80 -5.498 -6.585 9.183 620 HA SER 80 HA SER 80 -6.147 -8.536 11.148 621 1HB SER 80 1HB SER 80 -7.763 -6.834 10.295 622 2HB SER 80 2HB SER 80 -7.779 -7.672 8.745 623 HG SER 80 HG SER 80 -8.510 -8.827 11.240 624 H THR 81 H THR 81 -6.831 -10.696 10.805 625 HA THR 81 HA THR 81 -5.129 -12.239 9.235 626 HB THR 81 HB THR 81 -7.731 -13.475 9.848 627 HG1 THR 81 HG1 THR 81 -6.094 -12.510 11.992 628 1HG2 THR 81 1HG2 THR 81 -4.892 -14.070 10.698 629 2HG2 THR 81 2HG2 THR 81 -6.284 -15.125 10.945 630 3HG2 THR 81 3HG2 THR 81 -5.723 -14.773 9.310 631 H ASP 82 H ASP 82 -8.345 -10.998 8.587 632 HA ASP 82 HA ASP 82 -8.882 -12.587 6.305 633 1HB ASP 82 1HB ASP 82 -10.063 -9.986 7.281 634 2HB ASP 82 2HB ASP 82 -10.647 -10.824 5.846 635 H VAL 83 H VAL 83 -7.137 -9.615 6.773 636 HA VAL 83 HA VAL 83 -7.106 -8.786 4.045 637 HB VAL 83 HB VAL 83 -5.137 -8.154 6.257 638 1HG1 VAL 83 1HG1 VAL 83 -4.525 -6.214 4.891 639 2HG1 VAL 83 2HG1 VAL 83 -4.184 -7.729 4.055 640 3HG1 VAL 83 3HG1 VAL 83 -5.602 -6.777 3.613 641 1HG2 VAL 83 1HG2 VAL 83 -6.388 -6.061 6.477 642 2HG2 VAL 83 2HG2 VAL 83 -7.545 -6.633 5.275 643 3HG2 VAL 83 3HG2 VAL 83 -7.395 -7.467 6.821 644 H LEU 84 H LEU 84 -4.922 -10.664 6.088 645 HA LEU 84 HA LEU 84 -2.911 -11.094 4.169 646 1HB LEU 84 1HB LEU 84 -3.736 -12.855 6.481 647 2HB LEU 84 2HB LEU 84 -2.232 -12.989 5.592 648 HG LEU 84 HG LEU 84 -3.061 -10.625 7.279 649 1HD1 LEU 84 1HD1 LEU 84 -2.537 -12.584 8.625 650 2HD1 LEU 84 2HD1 LEU 84 -1.007 -12.775 7.768 651 3HD1 LEU 84 3HD1 LEU 84 -1.278 -11.357 8.781 652 1HD2 LEU 84 1HD2 LEU 84 -1.667 -9.958 5.396 653 2HD2 LEU 84 2HD2 LEU 84 -0.770 -9.843 6.910 654 3HD2 LEU 84 3HD2 LEU 84 -0.484 -11.197 5.816 655 H ALA 85 H ALA 85 -5.783 -12.964 5.049 656 HA ALA 85 HA ALA 85 -5.390 -15.116 3.296 657 1HB ALA 85 1HB ALA 85 -7.013 -15.151 5.124 658 2HB ALA 85 2HB ALA 85 -7.998 -13.961 4.274 659 3HB ALA 85 3HB ALA 85 -7.766 -15.568 3.585 660 H ALA 86 H ALA 86 -7.049 -12.016 2.830 661 HA ALA 86 HA ALA 86 -8.104 -12.529 0.283 662 1HB ALA 86 1HB ALA 86 -7.244 -9.880 1.440 663 2HB ALA 86 2HB ALA 86 -8.336 -10.115 0.075 664 3HB ALA 86 3HB ALA 86 -8.811 -10.651 1.686 665 H CYS 87 H CYS 87 -4.931 -11.426 1.293 666 HA CYS 87 HA CYS 87 -4.094 -10.822 -1.394 667 1HB CYS 87 1HB CYS 87 -2.451 -11.079 1.131 668 2HB CYS 87 2HB CYS 87 -1.911 -10.375 -0.391 669 HG CYS 87 HG CYS 87 -4.289 -9.109 1.721 670 H LEU 88 H LEU 88 -3.469 -13.399 0.971 671 HA LEU 88 HA LEU 88 -1.550 -14.782 -0.551 672 1HB LEU 88 1HB LEU 88 -3.421 -15.761 1.598 673 2HB LEU 88 2HB LEU 88 -2.129 -16.728 0.917 674 HG LEU 88 HG LEU 88 -1.775 -14.145 2.442 675 1HD1 LEU 88 1HD1 LEU 88 -2.467 -15.995 3.867 676 2HD1 LEU 88 2HD1 LEU 88 -1.175 -16.999 3.207 677 3HD1 LEU 88 3HD1 LEU 88 -0.780 -15.569 4.161 678 1HD2 LEU 88 1HD2 LEU 88 -0.062 -14.427 0.733 679 2HD2 LEU 88 2HD2 LEU 88 0.615 -14.667 2.343 680 3HD2 LEU 88 3HD2 LEU 88 0.268 -16.058 1.315 681 H THR 89 H THR 89 -5.066 -14.970 -0.531 682 HA THR 89 HA THR 89 -5.313 -17.408 -1.912 683 HB THR 89 HB THR 89 -7.608 -16.492 -2.565 684 HG1 THR 89 HG1 THR 89 -7.109 -14.488 -0.643 685 1HG2 THR 89 1HG2 THR 89 -8.467 -16.705 -0.277 686 2HG2 THR 89 2HG2 THR 89 -7.258 -17.940 -0.628 687 3HG2 THR 89 3HG2 THR 89 -6.829 -16.539 0.353 688 H ARG 90 H ARG 90 -4.678 -14.167 -3.044 689 HA ARG 90 HA ARG 90 -4.935 -15.080 -5.820 690 1HB ARG 90 1HB ARG 90 -4.844 -12.366 -4.554 691 2HB ARG 90 2HB ARG 90 -4.466 -12.563 -6.260 692 1HG ARG 90 1HG ARG 90 -6.679 -13.660 -6.556 693 2HG ARG 90 2HG ARG 90 -7.049 -13.244 -4.879 694 1HD ARG 90 1HD ARG 90 -7.074 -10.961 -5.324 695 2HD ARG 90 2HD ARG 90 -6.145 -11.144 -6.812 696 HE ARG 90 HE ARG 90 -9.008 -11.527 -6.472 697 1HH1 ARG 90 1HH1 ARG 90 -6.190 -11.834 -8.524 698 2HH1 ARG 90 2HH1 ARG 90 -7.113 -11.993 -9.994 699 1HH2 ARG 90 1HH2 ARG 90 -10.229 -11.680 -8.405 700 2HH2 ARG 90 2HH2 ARG 90 -9.407 -11.856 -9.928 701 H GLY 91 H GLY 91 -2.612 -14.609 -3.429 702 1HA GLY 91 1HA GLY 91 -0.322 -14.994 -3.569 703 2HA GLY 91 2HA GLY 91 -0.462 -15.023 -5.322 704 H ILE 92 H ILE 92 -1.760 -12.420 -3.421 705 HA ILE 92 HA ILE 92 -0.121 -10.516 -4.841 706 HB ILE 92 HB ILE 92 -2.159 -10.062 -2.650 707 1HG1 ILE 92 1HG1 ILE 92 -2.420 -9.772 -5.652 708 2HG1 ILE 92 2HG1 ILE 92 -3.112 -11.076 -4.693 709 1HG2 ILE 92 1HG2 ILE 92 -0.850 -8.109 -4.542 710 2HG2 ILE 92 2HG2 ILE 92 -2.154 -7.727 -3.417 711 3HG2 ILE 92 3HG2 ILE 92 -0.575 -8.223 -2.804 712 1HD1 ILE 92 1HD1 ILE 92 -4.785 -9.413 -5.252 713 2HD1 ILE 92 2HD1 ILE 92 -4.509 -9.460 -3.511 714 3HD1 ILE 92 3HD1 ILE 92 -3.817 -8.159 -4.478 715 H GLY 93 H GLY 93 1.727 -9.660 -4.140 716 1HA GLY 93 1HA GLY 93 2.866 -10.485 -1.646 717 2HA GLY 93 2HA GLY 93 3.583 -9.372 -2.803 718 H LEU 94 H LEU 94 1.764 -9.696 0.091 719 HA LEU 94 HA LEU 94 1.373 -6.802 0.293 720 1HB LEU 94 1HB LEU 94 -0.544 -8.214 0.853 721 2HB LEU 94 2HB LEU 94 0.410 -9.059 2.057 722 HG LEU 94 HG LEU 94 0.629 -6.896 3.302 723 1HD1 LEU 94 1HD1 LEU 94 -0.936 -5.099 2.766 724 2HD1 LEU 94 2HD1 LEU 94 0.214 -5.370 1.457 725 3HD1 LEU 94 3HD1 LEU 94 -1.439 -5.968 1.316 726 1HD2 LEU 94 1HD2 LEU 94 -1.636 -6.960 4.216 727 2HD2 LEU 94 2HD2 LEU 94 -2.170 -7.910 2.828 728 3HD2 LEU 94 3HD2 LEU 94 -0.996 -8.584 3.960 729 H GLU 95 H GLU 95 3.310 -5.931 0.812 730 HA GLU 95 HA GLU 95 4.828 -7.130 3.016 731 1HB GLU 95 1HB GLU 95 5.618 -4.941 1.081 732 2HB GLU 95 2HB GLU 95 6.660 -5.649 2.307 733 1HG GLU 95 1HG GLU 95 5.508 -7.022 -0.109 734 2HG GLU 95 2HG GLU 95 7.197 -6.597 0.174 735 H ALA 96 H ALA 96 4.235 -6.417 4.959 736 HA ALA 96 HA ALA 96 3.196 -3.713 5.271 737 1HB ALA 96 1HB ALA 96 2.005 -5.566 6.342 738 2HB ALA 96 2HB ALA 96 3.444 -5.941 7.290 739 3HB ALA 96 3HB ALA 96 2.605 -4.408 7.530 740 H MET 97 H MET 97 4.592 -2.144 5.558 741 HA MET 97 HA MET 97 6.799 -2.491 7.459 742 1HB MET 97 1HB MET 97 7.079 -1.322 4.676 743 2HB MET 97 2HB MET 97 8.313 -1.240 5.923 744 1HG MET 97 1HG MET 97 8.533 -3.650 5.909 745 2HG MET 97 2HG MET 97 7.234 -3.782 4.726 746 1HE MET 97 1HE MET 97 8.843 -2.075 1.582 747 2HE MET 97 2HE MET 97 7.856 -1.304 2.823 748 3HE MET 97 3HE MET 97 7.422 -2.903 2.219 749 H THR 98 H THR 98 7.863 -0.116 7.664 750 HA THR 98 HA THR 98 5.726 1.646 8.422 751 HB THR 98 HB THR 98 7.569 3.265 8.949 752 HG1 THR 98 HG1 THR 98 9.679 2.655 8.659 753 1HG2 THR 98 1HG2 THR 98 8.476 1.974 10.828 754 2HG2 THR 98 2HG2 THR 98 6.740 1.719 10.646 755 3HG2 THR 98 3HG2 THR 98 7.875 0.487 10.093 756 H ASN 99 H ASN 99 5.621 3.911 7.658 757 HA ASN 99 HA ASN 99 5.149 4.073 4.924 758 1HB ASN 99 1HB ASN 99 4.887 6.474 5.242 759 2HB ASN 99 2HB ASN 99 4.171 5.614 6.600 760 1HD2 ASN 99 2HD2 ASN 99 5.256 5.617 8.599 761 2HD2 ASN 99 1HD2 ASN 99 6.446 6.818 8.992 762 H ALA 100 H ALA 100 8.050 4.889 6.750 763 HA ALA 100 HA ALA 100 9.331 6.133 4.513 764 1HB ALA 100 1HB ALA 100 9.857 6.874 6.756 765 2HB ALA 100 2HB ALA 100 10.465 5.267 7.164 766 3HB ALA 100 3HB ALA 100 11.304 6.249 5.964 767 H ALA 101 H ALA 101 9.084 2.904 5.713 768 HA ALA 101 HA ALA 101 11.379 1.953 4.238 769 1HB ALA 101 1HB ALA 101 10.706 0.853 6.318 770 2HB ALA 101 2HB ALA 101 9.168 0.403 5.582 771 3HB ALA 101 3HB ALA 101 10.675 -0.266 4.956 772 H ALA 102 H ALA 102 7.850 1.800 3.947 773 HA ALA 102 HA ALA 102 7.759 0.280 1.583 774 1HB ALA 102 1HB ALA 102 5.463 1.068 1.369 775 2HB ALA 102 2HB ALA 102 5.817 0.613 3.036 776 3HB ALA 102 3HB ALA 102 5.767 2.316 2.578 777 H ALA 103 H ALA 103 7.892 3.764 2.138 778 HA ALA 103 HA ALA 103 7.622 4.616 -0.518 779 1HB ALA 103 1HB ALA 103 7.431 6.136 1.360 780 2HB ALA 103 2HB ALA 103 9.131 5.891 1.757 781 3HB ALA 103 3HB ALA 103 8.686 6.694 0.252 782 H ARG 104 H ARG 104 10.411 3.494 1.296 783 HA ARG 104 HA ARG 104 12.398 4.297 -0.558 784 1HB ARG 104 1HB ARG 104 12.457 3.286 1.958 785 2HB ARG 104 2HB ARG 104 12.876 1.848 1.038 786 1HG ARG 104 1HG ARG 104 14.907 2.884 1.654 787 2HG ARG 104 2HG ARG 104 14.680 3.207 -0.067 788 1HD ARG 104 1HD ARG 104 13.811 5.427 0.462 789 2HD ARG 104 2HD ARG 104 14.009 5.102 2.183 790 HE ARG 104 HE ARG 104 16.310 5.159 0.328 791 1HH1 ARG 104 1HH1 ARG 104 14.745 6.106 3.329 792 2HH1 ARG 104 2HH1 ARG 104 16.099 7.057 3.874 793 1HH2 ARG 104 1HH2 ARG 104 18.086 6.421 1.064 794 2HH2 ARG 104 2HH2 ARG 104 17.977 7.230 2.596 795 H THR 105 H THR 105 10.666 1.260 -0.018 796 HA THR 105 HA THR 105 11.911 -0.201 -2.090 797 HB THR 105 HB THR 105 9.172 -0.673 -0.896 798 HG1 THR 105 HG1 THR 105 11.656 -1.743 0.014 799 1HG2 THR 105 1HG2 THR 105 11.177 -2.569 -2.126 800 2HG2 THR 105 2HG2 THR 105 9.635 -3.026 -1.403 801 3HG2 THR 105 3HG2 THR 105 9.666 -2.041 -2.866 802 H TYR 106 H TYR 106 9.051 1.849 -1.976 803 HA TYR 106 HA TYR 106 7.857 1.100 -4.389 804 1HB TYR 106 1HB TYR 106 6.767 2.506 -2.668 805 2HB TYR 106 2HB TYR 106 7.841 3.834 -3.091 806 HD1 TYR 106 HD1 TYR 106 5.150 1.653 -4.422 807 HD2 TYR 106 HD2 TYR 106 7.319 5.286 -4.875 808 HE1 TYR 106 HE1 TYR 106 3.548 2.391 -6.136 809 HE2 TYR 106 HE2 TYR 106 5.720 6.033 -6.588 810 HH TYR 106 HH TYR 106 4.122 5.003 -8.186 811 H ASN 107 H ASN 107 10.488 3.335 -3.726 812 HA ASN 107 HA ASN 107 10.562 4.535 -6.291 813 1HB ASN 107 1HB ASN 107 12.404 4.412 -3.948 814 2HB ASN 107 2HB ASN 107 13.055 4.944 -5.492 815 1HD2 ASN 107 2HD2 ASN 107 10.845 5.668 -2.904 816 2HD2 ASN 107 1HD2 ASN 107 10.572 7.318 -3.343 817 H VAL 108 H VAL 108 11.581 1.487 -5.128 818 HA VAL 108 HA VAL 108 13.456 1.055 -7.320 819 HB VAL 108 HB VAL 108 12.570 -0.864 -5.155 820 1HG1 VAL 108 1HG1 VAL 108 14.557 -2.150 -5.787 821 2HG1 VAL 108 2HG1 VAL 108 13.427 -2.000 -7.132 822 3HG1 VAL 108 3HG1 VAL 108 14.882 -1.006 -7.088 823 1HG2 VAL 108 1HG2 VAL 108 14.728 -0.369 -4.096 824 2HG2 VAL 108 2HG2 VAL 108 15.040 0.858 -5.323 825 3HG2 VAL 108 3HG2 VAL 108 13.701 1.062 -4.194 826 H LEU 109 H LEU 109 10.376 -0.230 -6.111 827 HA LEU 109 HA LEU 109 10.014 -2.130 -8.172 828 1HB LEU 109 1HB LEU 109 8.011 -0.805 -6.350 829 2HB LEU 109 2HB LEU 109 7.633 -2.144 -7.415 830 HG LEU 109 HG LEU 109 9.589 -2.221 -5.117 831 1HD1 LEU 109 1HD1 LEU 109 7.263 -2.118 -4.391 832 2HD1 LEU 109 2HD1 LEU 109 6.868 -3.475 -5.446 833 3HD1 LEU 109 3HD1 LEU 109 7.958 -3.710 -4.080 834 1HD2 LEU 109 1HD2 LEU 109 10.284 -3.678 -6.943 835 2HD2 LEU 109 2HD2 LEU 109 9.703 -4.621 -5.571 836 3HD2 LEU 109 3HD2 LEU 109 8.677 -4.403 -6.990 837 H ALA 110 H ALA 110 9.496 1.267 -8.062 838 HA ALA 110 HA ALA 110 7.504 1.577 -10.002 839 1HB ALA 110 1HB ALA 110 9.818 3.420 -9.412 840 2HB ALA 110 2HB ALA 110 8.332 3.851 -10.258 841 3HB ALA 110 3HB ALA 110 8.276 3.396 -8.556 842 H SER 111 H SER 111 10.901 0.843 -10.311 843 HA SER 111 HA SER 111 11.079 1.545 -13.084 844 1HB SER 111 1HB SER 111 12.929 -0.106 -11.348 845 2HB SER 111 2HB SER 111 13.307 0.492 -12.966 846 HG SER 111 HG SER 111 13.022 2.620 -12.147 847 H GLU 112 H GLU 112 9.764 -1.096 -11.431 848 HA GLU 112 HA GLU 112 10.254 -3.034 -13.514 849 1HB GLU 112 1HB GLU 112 9.996 -3.757 -11.173 850 2HB GLU 112 2HB GLU 112 8.354 -3.130 -11.161 851 1HG GLU 112 1HG GLU 112 8.402 -5.552 -11.435 852 2HG GLU 112 2HG GLU 112 7.692 -4.749 -12.834 853 H GLY 113 H GLY 113 7.753 -0.786 -12.569 854 1HA GLY 113 1HA GLY 113 6.096 0.134 -13.893 855 2HA GLY 113 2HA GLY 113 6.596 -0.928 -15.199 856 H ARG 114 H ARG 114 6.063 -2.607 -12.327 857 HA ARG 114 HA ARG 114 3.592 -3.718 -13.341 858 1HB ARG 114 1HB ARG 114 5.411 -4.398 -11.051 859 2HB ARG 114 2HB ARG 114 3.790 -5.075 -11.133 860 1HG ARG 114 1HG ARG 114 4.323 -6.015 -13.343 861 2HG ARG 114 2HG ARG 114 5.967 -5.388 -13.188 862 1HD ARG 114 1HD ARG 114 6.413 -6.799 -11.328 863 2HD ARG 114 2HD ARG 114 4.716 -7.259 -11.188 864 HE ARG 114 HE ARG 114 5.286 -8.127 -13.647 865 1HH1 ARG 114 1HH1 ARG 114 7.055 -8.460 -10.637 866 2HH1 ARG 114 2HH1 ARG 114 7.716 -10.012 -11.056 867 1HH2 ARG 114 1HH2 ARG 114 6.165 -10.173 -14.195 868 2HH2 ARG 114 2HH2 ARG 114 7.208 -10.988 -13.067 869 H ARG 115 H ARG 115 1.702 -3.960 -11.909 870 HA ARG 115 HA ARG 115 1.068 -1.390 -10.798 871 1HB ARG 115 1HB ARG 115 -0.555 -3.920 -11.045 872 2HB ARG 115 2HB ARG 115 -1.177 -2.425 -10.356 873 1HG ARG 115 1HG ARG 115 -0.636 -1.287 -12.505 874 2HG ARG 115 2HG ARG 115 -0.217 -2.864 -13.174 875 1HD ARG 115 1HD ARG 115 -2.902 -2.111 -12.030 876 2HD ARG 115 2HD ARG 115 -2.508 -2.172 -13.748 877 HE ARG 115 HE ARG 115 -1.928 -4.630 -13.152 878 1HH1 ARG 115 1HH1 ARG 115 -4.583 -2.734 -11.895 879 2HH1 ARG 115 2HH1 ARG 115 -5.591 -4.110 -11.582 880 1HH2 ARG 115 1HH2 ARG 115 -3.257 -6.445 -12.794 881 2HH2 ARG 115 2HH2 ARG 115 -4.849 -6.220 -12.125 882 H VAL 116 H VAL 116 2.325 -1.103 -9.076 883 HA VAL 116 HA VAL 116 1.929 -2.839 -6.759 884 HB VAL 116 HB VAL 116 4.246 -2.340 -7.188 885 1HG1 VAL 116 1HG1 VAL 116 3.487 0.578 -7.090 886 2HG1 VAL 116 2HG1 VAL 116 5.130 -0.053 -7.199 887 3HG1 VAL 116 3HG1 VAL 116 3.992 -0.324 -8.519 888 1HG2 VAL 116 1HG2 VAL 116 3.604 -2.435 -4.847 889 2HG2 VAL 116 2HG2 VAL 116 4.904 -1.268 -5.081 890 3HG2 VAL 116 3HG2 VAL 116 3.248 -0.707 -4.855 891 H ALA 117 H ALA 117 0.626 -2.258 -5.159 892 HA ALA 117 HA ALA 117 -0.582 0.407 -5.247 893 1HB ALA 117 1HB ALA 117 -1.374 -2.030 -3.650 894 2HB ALA 117 2HB ALA 117 -2.260 -0.506 -3.726 895 3HB ALA 117 3HB ALA 117 -2.104 -1.508 -5.168 896 H LEU 118 H LEU 118 0.620 1.858 -4.175 897 HA LEU 118 HA LEU 118 1.977 1.096 -1.722 898 1HB LEU 118 1HB LEU 118 3.052 2.607 -3.373 899 2HB LEU 118 2HB LEU 118 1.790 3.790 -3.083 900 HG LEU 118 HG LEU 118 2.533 3.926 -0.708 901 1HD1 LEU 118 1HD1 LEU 118 4.819 2.225 -1.689 902 2HD1 LEU 118 2HD1 LEU 118 4.723 3.019 -0.116 903 3HD1 LEU 118 3HD1 LEU 118 3.581 1.740 -0.529 904 1HD2 LEU 118 1HD2 LEU 118 3.271 5.566 -2.347 905 2HD2 LEU 118 2HD2 LEU 118 4.544 5.235 -1.173 906 3HD2 LEU 118 3HD2 LEU 118 4.629 4.532 -2.787 907 H ALA 119 H ALA 119 0.208 0.606 -0.415 908 HA ALA 119 HA ALA 119 -1.674 2.772 0.169 909 1HB ALA 119 1HB ALA 119 -1.735 -0.123 1.019 910 2HB ALA 119 2HB ALA 119 -2.989 1.077 1.336 911 3HB ALA 119 3HB ALA 119 -2.643 0.581 -0.319 912 H MET 120 H MET 120 -0.596 4.143 1.491 913 HA MET 120 HA MET 120 0.621 2.960 3.893 914 1HB MET 120 1HB MET 120 1.320 5.533 2.475 915 2HB MET 120 2HB MET 120 1.983 5.050 4.031 916 1HG MET 120 1HG MET 120 2.812 2.959 2.887 917 2HG MET 120 2HG MET 120 2.375 3.728 1.363 918 1HE MET 120 1HE MET 120 3.490 5.995 0.483 919 2HE MET 120 2HE MET 120 4.721 6.884 1.381 920 3HE MET 120 3HE MET 120 3.074 6.791 2.002 921 H ILE 121 H ILE 121 -0.385 3.275 5.685 922 HA ILE 121 HA ILE 121 -2.346 5.415 5.957 923 HB ILE 121 HB ILE 121 -1.610 3.162 7.845 924 1HG1 ILE 121 1HG1 ILE 121 -4.031 3.479 6.055 925 2HG1 ILE 121 2HG1 ILE 121 -2.655 2.440 5.703 926 1HG2 ILE 121 1HG2 ILE 121 -3.667 3.753 9.041 927 2HG2 ILE 121 2HG2 ILE 121 -2.511 5.085 9.039 928 3HG2 ILE 121 3HG2 ILE 121 -3.902 5.122 7.954 929 1HD1 ILE 121 1HD1 ILE 121 -4.520 2.163 8.047 930 2HD1 ILE 121 2HD1 ILE 121 -4.522 1.172 6.588 931 3HD1 ILE 121 3HD1 ILE 121 -3.146 1.117 7.689 932 H VAL 122 H VAL 122 -1.352 7.310 6.364 933 HA VAL 122 HA VAL 122 1.072 7.349 7.969 934 HB VAL 122 HB VAL 122 -0.335 9.646 6.595 935 1HG1 VAL 122 1HG1 VAL 122 2.449 9.430 7.734 936 2HG1 VAL 122 2HG1 VAL 122 1.806 10.809 6.843 937 3HG1 VAL 122 3HG1 VAL 122 1.119 10.372 8.407 938 1HG2 VAL 122 1HG2 VAL 122 0.379 7.968 4.982 939 2HG2 VAL 122 2HG2 VAL 122 1.380 9.413 4.859 940 3HG2 VAL 122 3HG2 VAL 122 2.002 7.976 5.671 941 H GLY 123 H GLY 123 1.216 8.069 10.009 942 1HA GLY 123 1HA GLY 123 -0.000 9.982 11.376 943 2HA GLY 123 2HA GLY 123 -1.258 8.753 11.378 944 H GLY 124 H GLY 124 -1.109 8.687 13.645 945 1HA GLY 124 1HA GLY 124 0.250 6.617 14.796 946 2HA GLY 124 2HA GLY 124 1.327 7.998 14.988 947 H LEU 125 H LEU 125 0.139 10.020 15.751 948 HA LEU 125 HA LEU 125 -1.064 11.183 17.262 949 1HB LEU 125 1HB LEU 125 -3.005 8.888 17.014 950 2HB LEU 125 2HB LEU 125 -3.348 10.419 17.797 951 HG LEU 125 HG LEU 125 -2.715 10.050 14.866 952 1HD1 LEU 125 1HD1 LEU 125 -4.908 9.181 15.460 953 2HD1 LEU 125 2HD1 LEU 125 -5.304 10.701 16.264 954 3HD1 LEU 125 3HD1 LEU 125 -5.055 10.665 14.519 955 1HD2 LEU 125 1HD2 LEU 125 -3.319 12.410 14.658 956 2HD2 LEU 125 2HD2 LEU 125 -3.510 12.519 16.408 957 3HD2 LEU 125 3HD2 LEU 125 -1.922 12.196 15.712 958 H GLU 126 H GLU 126 0.340 11.120 18.948 959 HA GLU 126 HA GLU 126 -0.237 9.102 21.022 960 1HB GLU 126 1HB GLU 126 2.314 10.703 20.782 961 2HB GLU 126 2HB GLU 126 2.006 9.339 21.842 962 1HG GLU 126 1HG GLU 126 3.346 8.452 20.176 963 2HG GLU 126 2HG GLU 126 1.718 7.982 19.687 964 H HIS 127 H HIS 127 -1.461 11.775 20.352 965 HA HIS 127 HA HIS 127 -0.538 13.642 22.282 966 1HB HIS 127 1HB HIS 127 -2.545 14.971 21.713 967 2HB HIS 127 2HB HIS 127 -1.612 14.491 20.306 968 HD1 HIS 127 HD1 HIS 127 -4.956 14.173 21.878 969 HD2 HIS 127 HD2 HIS 127 -2.903 12.634 18.605 970 HE1 HIS 127 HE1 HIS 127 -6.701 13.099 20.426 971 HE2 HIS 127 HE2 HIS 127 -5.471 12.431 18.336 972 H HIS 128 H HIS 128 -2.324 10.857 22.680 973 HA HIS 128 HA HIS 128 -3.883 11.573 24.940 974 1HB HIS 128 1HB HIS 128 -4.083 9.390 23.734 975 2HB HIS 128 2HB HIS 128 -2.512 8.924 24.377 976 HD1 HIS 128 HD1 HIS 128 -2.431 8.049 26.775 977 HD2 HIS 128 HD2 HIS 128 -6.175 9.488 25.662 978 HE1 HIS 128 HE1 HIS 128 -4.002 7.352 28.607 979 HE2 HIS 128 HE2 HIS 128 -6.193 8.448 28.033 980 H HIS 129 H HIS 129 -0.528 10.987 24.375 981 HA HIS 129 HA HIS 129 0.071 11.852 27.111 982 1HB HIS 129 1HB HIS 129 0.467 9.407 26.979 983 2HB HIS 129 2HB HIS 129 1.551 9.666 25.618 984 HD1 HIS 129 HD1 HIS 129 1.304 10.319 29.331 985 HD2 HIS 129 HD2 HIS 129 4.136 10.329 26.287 986 HE1 HIS 129 HE1 HIS 129 3.530 10.569 30.476 987 HE2 HIS 129 HE2 HIS 129 5.195 10.817 28.595 988 H HIS 130 H HIS 130 0.271 13.925 26.129 989 HA HIS 130 HA HIS 130 2.756 14.232 24.587 990 1HB HIS 130 1HB HIS 130 0.722 14.388 23.104 991 2HB HIS 130 2HB HIS 130 0.232 15.803 24.029 992 HD1 HIS 130 HD1 HIS 130 1.529 18.002 23.626 993 HD2 HIS 130 HD2 HIS 130 2.887 14.782 21.359 994 HE1 HIS 130 HE1 HIS 130 3.075 18.982 21.901 995 HE2 HIS 130 HE2 HIS 130 3.783 17.037 20.464 996 H HIS 131 H HIS 131 4.064 15.266 25.938 997 HA HIS 131 HA HIS 131 2.976 17.397 27.625 998 1HB HIS 131 1HB HIS 131 5.115 17.366 28.804 999 2HB HIS 131 2HB HIS 131 4.441 15.745 28.729 1000 HD1 HIS 131 HD1 HIS 131 7.419 17.719 27.857 1001 HD2 HIS 131 HD2 HIS 131 5.820 13.999 26.899 1002 HE1 HIS 131 HE1 HIS 131 9.293 16.425 26.789 1003 HE2 HIS 131 HE2 HIS 131 8.346 14.127 26.364 1004 H HIS 132 H HIS 132 4.119 19.460 27.726 1005 HA HIS 132 HA HIS 132 4.783 20.386 25.059 1006 1HB HIS 132 1HB HIS 132 3.317 21.702 26.596 1007 2HB HIS 132 2HB HIS 132 4.688 21.916 27.675 1008 HD1 HIS 132 HD1 HIS 132 2.942 23.533 24.984 1009 HD2 HIS 132 HD2 HIS 132 6.888 23.407 26.300 1010 HE1 HIS 132 HE1 HIS 132 4.058 25.550 23.985 1011 HE2 HIS 132 HE2 HIS 132 6.363 25.579 24.995 Start of MODEL 19 1 1H MET 1 1HT MET 1 29.248 20.266 -15.454 2 2H MET 1 2HT MET 1 28.367 21.572 -14.824 3 3H MET 1 3HT MET 1 27.562 20.286 -15.578 4 HA MET 1 HA MET 1 29.197 19.972 -13.139 5 1HB MET 1 1HB MET 1 27.224 20.049 -11.812 6 2HB MET 1 2HB MET 1 27.187 21.482 -12.826 7 1HG MET 1 1HG MET 1 25.675 18.948 -13.414 8 2HG MET 1 2HG MET 1 25.001 20.341 -12.574 9 1HE MET 1 1HE MET 1 23.007 20.420 -14.342 10 2HE MET 1 2HE MET 1 23.695 19.027 -15.177 11 3HE MET 1 3HE MET 1 23.255 20.473 -16.088 12 HA PRO 2 HA PRO 2 28.586 15.629 -13.913 13 1HB PRO 2 1HB PRO 2 28.283 14.695 -11.358 14 2HB PRO 2 2HB PRO 2 29.845 15.107 -12.072 15 1HG PRO 2 1HG PRO 2 28.122 16.706 -10.226 16 2HG PRO 2 2HG PRO 2 29.884 16.515 -10.230 17 1HD PRO 2 1HD PRO 2 28.666 18.713 -11.222 18 2HD PRO 2 2HD PRO 2 30.177 18.076 -11.903 19 H LEU 3 H LEU 3 26.735 14.977 -14.803 20 HA LEU 3 HA LEU 3 24.185 15.756 -13.786 21 1HB LEU 3 1HB LEU 3 24.620 15.465 -16.186 22 2HB LEU 3 2HB LEU 3 24.880 13.750 -15.932 23 HG LEU 3 HG LEU 3 22.522 13.529 -15.195 24 1HD1 LEU 3 1HD1 LEU 3 22.172 15.806 -14.400 25 2HD1 LEU 3 2HD1 LEU 3 22.313 16.413 -16.051 26 3HD1 LEU 3 3HD1 LEU 3 20.964 15.366 -15.609 27 1HD2 LEU 3 1HD2 LEU 3 21.532 13.770 -17.415 28 2HD2 LEU 3 2HD2 LEU 3 22.895 14.770 -17.919 29 3HD2 LEU 3 3HD2 LEU 3 23.149 13.073 -17.509 30 H ASN 4 H ASN 4 23.929 14.936 -11.746 31 HA ASN 4 HA ASN 4 23.368 12.053 -11.660 32 1HB ASN 4 1HB ASN 4 25.456 12.473 -10.428 33 2HB ASN 4 2HB ASN 4 24.636 13.679 -9.441 34 1HD2 ASN 4 2HD2 ASN 4 23.303 13.029 -7.794 35 2HD2 ASN 4 1HD2 ASN 4 23.191 11.383 -7.266 36 H GLN 5 H GLN 5 21.235 12.028 -11.699 37 HA GLN 5 HA GLN 5 19.649 12.910 -9.536 38 1HB GLN 5 1HB GLN 5 20.146 15.087 -10.869 39 2HB GLN 5 2HB GLN 5 19.090 14.410 -12.099 40 1HG GLN 5 1HG GLN 5 17.320 14.231 -10.314 41 2HG GLN 5 2HG GLN 5 18.384 15.191 -9.287 42 1HE2 GLN 5 2HE2 GLN 5 15.733 15.805 -10.309 43 2HE2 GLN 5 1HE2 GLN 5 15.888 17.284 -11.200 44 H GLU 6 H GLU 6 17.157 12.812 -10.497 45 HA GLU 6 HA GLU 6 16.696 10.298 -11.619 46 1HB GLU 6 1HB GLU 6 14.922 12.747 -11.823 47 2HB GLU 6 2HB GLU 6 14.417 11.093 -12.121 48 1HG GLU 6 1HG GLU 6 13.634 11.479 -9.994 49 2HG GLU 6 2HG GLU 6 15.168 10.667 -9.688 50 H HIS 7 H HIS 7 17.739 9.774 -13.444 51 HA HIS 7 HA HIS 7 18.369 11.606 -15.487 52 1HB HIS 7 1HB HIS 7 19.670 9.540 -14.946 53 2HB HIS 7 2HB HIS 7 18.388 8.591 -15.688 54 HD1 HIS 7 HD1 HIS 7 18.563 8.207 -18.143 55 HD2 HIS 7 HD2 HIS 7 21.008 11.311 -16.842 56 HE1 HIS 7 HE1 HIS 7 19.964 8.848 -20.129 57 HE2 HIS 7 HE2 HIS 7 21.614 10.524 -19.232 58 HA PRO 8 HA PRO 8 14.919 9.420 -18.134 59 1HB PRO 8 1HB PRO 8 13.097 8.406 -16.035 60 2HB PRO 8 2HB PRO 8 13.606 7.647 -17.546 61 1HG PRO 8 1HG PRO 8 14.525 6.784 -15.191 62 2HG PRO 8 2HG PRO 8 15.564 6.822 -16.628 63 1HD PRO 8 1HD PRO 8 15.462 8.719 -14.312 64 2HD PRO 8 2HD PRO 8 16.871 8.080 -15.184 65 H ASP 9 H ASP 9 13.397 10.205 -14.995 66 HA ASP 9 HA ASP 9 12.626 12.829 -15.795 67 1HB ASP 9 1HB ASP 9 11.035 11.049 -16.986 68 2HB ASP 9 2HB ASP 9 10.239 11.075 -15.415 69 H TYR 10 H TYR 10 11.968 14.016 -14.009 70 HA TYR 10 HA TYR 10 12.181 12.675 -11.453 71 1HB TYR 10 1HB TYR 10 11.804 15.067 -10.575 72 2HB TYR 10 2HB TYR 10 13.306 14.728 -11.424 73 HD1 TYR 10 HD1 TYR 10 10.028 16.404 -11.671 74 HD2 TYR 10 HD2 TYR 10 13.817 15.781 -13.503 75 HE1 TYR 10 HE1 TYR 10 9.586 18.271 -13.210 76 HE2 TYR 10 HE2 TYR 10 13.385 17.645 -15.044 77 HH TYR 10 HH TYR 10 11.569 18.884 -15.959 78 H THR 11 H THR 11 10.557 12.437 -9.949 79 HA THR 11 HA THR 11 7.852 12.792 -11.052 80 HB THR 11 HB THR 11 8.697 10.613 -9.140 81 HG1 THR 11 HG1 THR 11 9.172 10.886 -11.812 82 1HG2 THR 11 1HG2 THR 11 6.290 11.111 -9.226 83 2HG2 THR 11 2HG2 THR 11 6.311 10.890 -10.976 84 3HG2 THR 11 3HG2 THR 11 6.645 9.525 -9.910 85 H TYR 12 H TYR 12 6.344 13.760 -9.840 86 HA TYR 12 HA TYR 12 7.096 15.094 -7.421 87 1HB TYR 12 1HB TYR 12 4.790 15.974 -7.452 88 2HB TYR 12 2HB TYR 12 5.586 16.164 -9.011 89 HD1 TYR 12 HD1 TYR 12 4.714 15.130 -10.968 90 HD2 TYR 12 HD2 TYR 12 3.040 14.194 -7.168 91 HE1 TYR 12 HE1 TYR 12 2.838 13.996 -12.077 92 HE2 TYR 12 HE2 TYR 12 1.160 13.058 -8.271 93 HH TYR 12 HH TYR 12 1.171 12.314 -11.621 94 H ALA 13 H ALA 13 6.011 11.998 -8.017 95 HA ALA 13 HA ALA 13 4.144 11.679 -5.892 96 1HB ALA 13 1HB ALA 13 5.675 9.577 -7.416 97 2HB ALA 13 2HB ALA 13 4.270 9.300 -6.387 98 3HB ALA 13 3HB ALA 13 4.106 10.243 -7.868 99 H LEU 14 H LEU 14 4.736 11.941 -3.879 100 HA LEU 14 HA LEU 14 5.683 11.602 -1.863 101 1HB LEU 14 1HB LEU 14 5.364 9.213 -2.527 102 2HB LEU 14 2HB LEU 14 7.014 9.205 -3.118 103 HG LEU 14 HG LEU 14 7.788 9.744 -0.807 104 1HD1 LEU 14 1HD1 LEU 14 4.901 9.233 -0.102 105 2HD1 LEU 14 2HD1 LEU 14 6.227 9.429 1.046 106 3HD1 LEU 14 3HD1 LEU 14 5.742 10.778 0.018 107 1HD2 LEU 14 1HD2 LEU 14 6.141 7.235 -1.102 108 2HD2 LEU 14 2HD2 LEU 14 7.801 7.456 -1.653 109 3HD2 LEU 14 3HD2 LEU 14 7.434 7.494 0.070 110 H ARG 15 H ARG 15 6.861 13.562 -2.248 111 HA ARG 15 HA ARG 15 9.662 13.298 -2.989 112 1HB ARG 15 1HB ARG 15 8.298 15.230 -3.774 113 2HB ARG 15 2HB ARG 15 8.121 15.747 -2.103 114 1HG ARG 15 1HG ARG 15 10.507 16.104 -1.927 115 2HG ARG 15 2HG ARG 15 10.739 15.501 -3.569 116 1HD ARG 15 1HD ARG 15 9.353 17.343 -4.421 117 2HD ARG 15 2HD ARG 15 9.170 17.952 -2.776 118 HE ARG 15 HE ARG 15 11.853 17.847 -3.079 119 1HH1 ARG 15 1HH1 ARG 15 9.279 19.299 -4.979 120 2HH1 ARG 15 2HH1 ARG 15 10.303 20.551 -5.616 121 1HH2 ARG 15 1HH2 ARG 15 13.186 19.475 -3.936 122 2HH2 ARG 15 2HH2 ARG 15 12.521 20.651 -5.033 123 H ALA 16 H ALA 16 7.654 13.569 -0.206 124 HA ALA 16 HA ALA 16 10.010 13.291 1.519 125 1HB ALA 16 1HB ALA 16 7.652 15.083 2.119 126 2HB ALA 16 2HB ALA 16 9.028 14.781 3.181 127 3HB ALA 16 3HB ALA 16 9.263 15.633 1.654 128 H ALA 17 H ALA 17 9.725 11.791 3.168 129 HA ALA 17 HA ALA 17 7.092 10.524 3.362 130 1HB ALA 17 1HB ALA 17 8.286 9.349 1.581 131 2HB ALA 17 2HB ALA 17 9.609 9.005 2.697 132 3HB ALA 17 3HB ALA 17 8.013 8.308 2.979 133 H ASP 18 H ASP 18 6.611 10.468 5.413 134 HA ASP 18 HA ASP 18 8.481 9.212 7.289 135 1HB ASP 18 1HB ASP 18 6.908 11.745 7.845 136 2HB ASP 18 2HB ASP 18 7.671 10.771 9.092 137 H GLY 19 H GLY 19 7.152 8.615 9.359 138 1HA GLY 19 1HA GLY 19 4.769 7.251 8.492 139 2HA GLY 19 2HA GLY 19 5.449 7.244 10.113 140 H ARG 20 H ARG 20 5.394 10.342 9.644 141 HA ARG 20 HA ARG 20 2.539 10.766 10.195 142 1HB ARG 20 1HB ARG 20 3.227 12.398 11.980 143 2HB ARG 20 2HB ARG 20 3.557 10.715 12.366 144 1HG ARG 20 1HG ARG 20 5.892 11.016 11.763 145 2HG ARG 20 2HG ARG 20 5.572 12.695 11.328 146 1HD ARG 20 1HD ARG 20 5.067 13.263 13.581 147 2HD ARG 20 2HD ARG 20 5.061 11.569 14.071 148 HE ARG 20 HE ARG 20 7.527 11.670 13.362 149 1HH1 ARG 20 1HH1 ARG 20 5.757 14.345 14.779 150 2HH1 ARG 20 2HH1 ARG 20 7.156 15.035 15.543 151 1HH2 ARG 20 1HH2 ARG 20 9.371 12.593 14.367 152 2HH2 ARG 20 2HH2 ARG 20 9.198 14.039 15.310 153 H HIS 21 H HIS 21 4.377 11.209 7.897 154 HA HIS 21 HA HIS 21 3.640 13.890 7.233 155 1HB HIS 21 1HB HIS 21 5.551 14.451 8.612 156 2HB HIS 21 2HB HIS 21 6.527 13.238 7.804 157 HD1 HIS 21 HD1 HIS 21 8.157 14.220 6.286 158 HD2 HIS 21 HD2 HIS 21 4.676 16.494 6.480 159 HE1 HIS 21 HE1 HIS 21 8.543 16.186 4.764 160 HE2 HIS 21 HE2 HIS 21 6.508 17.646 5.048 161 H ALA 22 H ALA 22 3.760 14.230 5.064 162 HA ALA 22 HA ALA 22 5.347 12.697 3.273 163 1HB ALA 22 1HB ALA 22 2.385 12.090 3.298 164 2HB ALA 22 2HB ALA 22 3.553 11.509 2.111 165 3HB ALA 22 3HB ALA 22 3.666 10.982 3.790 166 H LYS 23 H LYS 23 5.394 13.665 1.247 167 HA LYS 23 HA LYS 23 3.389 15.736 0.719 168 1HB LYS 23 1HB LYS 23 5.294 16.940 1.648 169 2HB LYS 23 2HB LYS 23 6.376 16.160 0.502 170 1HG LYS 23 1HG LYS 23 5.194 17.264 -1.349 171 2HG LYS 23 2HG LYS 23 4.144 18.070 -0.182 172 1HD LYS 23 1HD LYS 23 7.144 18.349 -0.174 173 2HD LYS 23 2HD LYS 23 6.076 19.437 -1.061 174 1HE LYS 23 1HE LYS 23 5.851 18.921 1.899 175 2HE LYS 23 2HE LYS 23 6.793 20.241 1.209 176 1HZ LYS 23 1HZ LYS 23 4.777 21.112 0.196 177 2HZ LYS 23 2HZ LYS 23 3.868 19.842 0.848 178 3HZ LYS 23 3HZ LYS 23 4.593 20.979 1.875 179 H VAL 24 H VAL 24 2.460 15.235 -1.112 180 HA VAL 24 HA VAL 24 4.092 14.092 -3.284 181 HB VAL 24 HB VAL 24 1.076 14.080 -2.980 182 1HG1 VAL 24 1HG1 VAL 24 1.093 12.567 -4.907 183 2HG1 VAL 24 2HG1 VAL 24 1.771 14.143 -5.315 184 3HG1 VAL 24 3HG1 VAL 24 2.840 12.767 -5.046 185 1HG2 VAL 24 1HG2 VAL 24 2.160 12.595 -1.374 186 2HG2 VAL 24 2HG2 VAL 24 1.312 11.671 -2.614 187 3HG2 VAL 24 3HG2 VAL 24 3.067 11.832 -2.680 188 H ASN 25 H ASN 25 4.735 15.547 -4.697 189 HA ASN 25 HA ASN 25 4.937 17.443 -5.919 190 1HB ASN 25 1HB ASN 25 2.792 16.697 -6.929 191 2HB ASN 25 2HB ASN 25 1.922 17.619 -5.710 192 1HD2 ASN 25 2HD2 ASN 25 0.941 19.043 -7.027 193 2HD2 ASN 25 1HD2 ASN 25 1.779 20.219 -7.983 194 H GLU 26 H GLU 26 2.076 18.613 -4.218 195 HA GLU 26 HA GLU 26 3.805 20.435 -2.667 196 1HB GLU 26 1HB GLU 26 1.080 21.016 -3.848 197 2HB GLU 26 2HB GLU 26 1.990 22.109 -2.816 198 1HG GLU 26 1HG GLU 26 3.670 22.399 -4.472 199 2HG GLU 26 2HG GLU 26 2.990 21.110 -5.467 200 H GLN 27 H GLN 27 1.124 18.261 -2.733 201 HA GLN 27 HA GLN 27 -0.157 19.264 -0.375 202 1HB GLN 27 1HB GLN 27 -0.626 16.756 -1.990 203 2HB GLN 27 2HB GLN 27 -1.664 17.320 -0.685 204 1HG GLN 27 1HG GLN 27 -1.074 18.835 -3.217 205 2HG GLN 27 2HG GLN 27 -2.540 17.909 -2.893 206 1HE2 GLN 27 2HE2 GLN 27 -2.037 20.802 -3.406 207 2HE2 GLN 27 1HE2 GLN 27 -2.800 21.622 -2.083 208 H ILE 28 H ILE 28 0.314 18.821 1.634 209 HA ILE 28 HA ILE 28 1.977 16.548 2.332 210 HB ILE 28 HB ILE 28 0.680 18.648 4.084 211 1HG1 ILE 28 1HG1 ILE 28 3.544 18.289 3.168 212 2HG1 ILE 28 2HG1 ILE 28 2.432 19.542 2.622 213 1HG2 ILE 28 1HG2 ILE 28 2.689 16.513 4.804 214 2HG2 ILE 28 2HG2 ILE 28 2.126 17.799 5.871 215 3HG2 ILE 28 3HG2 ILE 28 1.000 16.565 5.307 216 1HD1 ILE 28 1HD1 ILE 28 4.013 20.403 4.249 217 2HD1 ILE 28 2HD1 ILE 28 2.364 20.467 4.874 218 3HD1 ILE 28 3HD1 ILE 28 3.469 19.207 5.426 219 H LEU 29 H LEU 29 1.055 14.631 2.438 220 HA LEU 29 HA LEU 29 -1.772 14.400 3.076 221 1HB LEU 29 1HB LEU 29 0.230 12.316 2.196 222 2HB LEU 29 2HB LEU 29 -1.490 12.041 2.409 223 HG LEU 29 HG LEU 29 -0.262 13.926 0.393 224 1HD1 LEU 29 1HD1 LEU 29 -1.566 11.235 0.030 225 2HD1 LEU 29 2HD1 LEU 29 -1.041 12.310 -1.267 226 3HD1 LEU 29 3HD1 LEU 29 0.148 11.601 -0.175 227 1HD2 LEU 29 1HD2 LEU 29 -3.131 13.096 0.813 228 2HD2 LEU 29 2HD2 LEU 29 -2.449 14.683 1.173 229 3HD2 LEU 29 3HD2 LEU 29 -2.528 14.114 -0.495 230 H GLN 30 H GLN 30 -2.500 13.857 4.989 231 HA GLN 30 HA GLN 30 -0.593 12.832 6.999 232 1HB GLN 30 1HB GLN 30 -3.006 14.605 7.450 233 2HB GLN 30 2HB GLN 30 -1.857 14.078 8.672 234 1HG GLN 30 1HG GLN 30 -0.144 15.427 7.791 235 2HG GLN 30 2HG GLN 30 -1.036 15.721 6.299 236 1HE2 GLN 30 2HE2 GLN 30 -2.764 17.162 6.312 237 2HE2 GLN 30 1HE2 GLN 30 -2.964 18.329 7.573 238 H GLN 31 H GLN 31 -2.630 11.592 5.085 239 HA GLN 31 HA GLN 31 -4.281 10.192 7.082 240 1HB GLN 31 1HB GLN 31 -5.027 10.834 4.215 241 2HB GLN 31 2HB GLN 31 -6.028 9.971 5.369 242 1HG GLN 31 1HG GLN 31 -6.906 12.135 5.275 243 2HG GLN 31 2HG GLN 31 -5.985 12.075 6.776 244 1HE2 GLN 31 2HE2 GLN 31 -5.741 14.298 6.852 245 2HE2 GLN 31 1HE2 GLN 31 -4.687 15.157 5.780 246 H SER 32 H SER 32 -5.181 8.081 5.959 247 HA SER 32 HA SER 32 -2.930 6.564 4.970 248 1HB SER 32 1HB SER 32 -5.816 5.687 5.271 249 2HB SER 32 2HB SER 32 -4.396 4.648 5.138 250 HG SER 32 HG SER 32 -5.454 5.377 7.333 251 H PHE 33 H PHE 33 -2.399 6.993 2.874 252 HA PHE 33 HA PHE 33 -4.639 7.317 0.994 253 1HB PHE 33 1HB PHE 33 -3.225 8.763 -0.355 254 2HB PHE 33 2HB PHE 33 -3.348 9.378 1.286 255 HD1 PHE 33 HD1 PHE 33 -1.418 9.313 2.783 256 HD2 PHE 33 HD2 PHE 33 -1.144 7.992 -1.253 257 HE1 PHE 33 HE1 PHE 33 1.034 9.448 2.908 258 HE2 PHE 33 HE2 PHE 33 1.308 8.121 -1.133 259 HZ PHE 33 HZ PHE 33 2.401 8.852 0.950 260 H ILE 34 H ILE 34 -4.634 6.324 -0.933 261 HA ILE 34 HA ILE 34 -2.675 4.173 -1.316 262 HB ILE 34 HB ILE 34 -5.254 4.666 -2.825 263 1HG1 ILE 34 1HG1 ILE 34 -4.757 2.709 -0.570 264 2HG1 ILE 34 2HG1 ILE 34 -5.604 4.241 -0.383 265 1HG2 ILE 34 1HG2 ILE 34 -3.473 2.235 -2.652 266 2HG2 ILE 34 2HG2 ILE 34 -4.998 2.334 -3.533 267 3HG2 ILE 34 3HG2 ILE 34 -3.623 3.317 -4.036 268 1HD1 ILE 34 1HD1 ILE 34 -7.324 3.486 -1.932 269 2HD1 ILE 34 2HD1 ILE 34 -6.471 1.955 -2.137 270 3HD1 ILE 34 3HD1 ILE 34 -7.154 2.381 -0.568 271 H LEU 35 H LEU 35 -0.951 4.816 -2.462 272 HA LEU 35 HA LEU 35 -1.364 6.724 -4.659 273 1HB LEU 35 1HB LEU 35 0.255 7.430 -2.972 274 2HB LEU 35 2HB LEU 35 1.165 5.949 -3.201 275 HG LEU 35 HG LEU 35 1.643 6.651 -5.542 276 1HD1 LEU 35 1HD1 LEU 35 0.367 9.246 -4.685 277 2HD1 LEU 35 2HD1 LEU 35 1.241 8.971 -6.192 278 3HD1 LEU 35 3HD1 LEU 35 -0.274 8.122 -5.883 279 1HD2 LEU 35 1HD2 LEU 35 2.481 8.585 -3.386 280 2HD2 LEU 35 2HD2 LEU 35 3.263 7.055 -3.779 281 3HD2 LEU 35 3HD2 LEU 35 3.278 8.377 -4.946 282 H MET 36 H MET 36 -1.634 5.778 -6.533 283 HA MET 36 HA MET 36 0.253 3.649 -7.291 284 1HB MET 36 1HB MET 36 -2.622 3.998 -8.190 285 2HB MET 36 2HB MET 36 -1.496 2.842 -8.887 286 1HG MET 36 1HG MET 36 -1.300 1.728 -6.720 287 2HG MET 36 2HG MET 36 -2.436 2.883 -6.028 288 1HE MET 36 1HE MET 36 -1.922 -0.088 -8.506 289 2HE MET 36 2HE MET 36 -2.562 1.139 -9.599 290 3HE MET 36 3HE MET 36 -3.528 -0.284 -9.207 291 HA PRO 37 HA PRO 37 1.772 6.491 -10.274 292 1HB PRO 37 1HB PRO 37 1.954 4.235 -12.186 293 2HB PRO 37 2HB PRO 37 3.222 5.305 -11.579 294 1HG PRO 37 1HG PRO 37 3.048 2.785 -10.733 295 2HG PRO 37 2HG PRO 37 3.491 4.093 -9.620 296 1HD PRO 37 1HD PRO 37 0.863 2.691 -9.949 297 2HD PRO 37 2HD PRO 37 1.690 3.201 -8.461 298 H ASP 38 H ASP 38 -0.638 7.163 -10.319 299 HA ASP 38 HA ASP 38 -1.152 8.229 -12.780 300 1HB ASP 38 1HB ASP 38 -1.686 5.931 -13.572 301 2HB ASP 38 2HB ASP 38 -2.961 5.832 -12.359 302 H GLU 39 H GLU 39 -2.820 6.740 -10.028 303 HA GLU 39 HA GLU 39 -4.362 9.227 -9.702 304 1HB GLU 39 1HB GLU 39 -5.327 6.383 -9.384 305 2HB GLU 39 2HB GLU 39 -6.218 7.779 -8.801 306 1HG GLU 39 1HG GLU 39 -6.385 8.630 -11.082 307 2HG GLU 39 2HG GLU 39 -5.481 7.234 -11.668 308 H LEU 40 H LEU 40 -5.052 9.689 -7.539 309 HA LEU 40 HA LEU 40 -3.498 8.335 -5.442 310 1HB LEU 40 1HB LEU 40 -2.403 10.444 -5.932 311 2HB LEU 40 2HB LEU 40 -3.926 11.302 -5.805 312 HG LEU 40 HG LEU 40 -4.017 10.752 -3.397 313 1HD1 LEU 40 1HD1 LEU 40 -2.019 9.864 -2.295 314 2HD1 LEU 40 2HD1 LEU 40 -2.722 8.700 -3.418 315 3HD1 LEU 40 3HD1 LEU 40 -1.275 9.598 -3.871 316 1HD2 LEU 40 1HD2 LEU 40 -3.071 12.871 -4.145 317 2HD2 LEU 40 2HD2 LEU 40 -2.249 12.282 -2.699 318 3HD2 LEU 40 3HD2 LEU 40 -1.480 12.121 -4.279 319 H VAL 41 H VAL 41 -4.784 7.529 -3.921 320 HA VAL 41 HA VAL 41 -7.415 8.798 -3.507 321 HB VAL 41 HB VAL 41 -6.678 5.928 -2.896 322 1HG1 VAL 41 1HG1 VAL 41 -9.086 5.613 -2.597 323 2HG1 VAL 41 2HG1 VAL 41 -8.448 6.811 -1.470 324 3HG1 VAL 41 3HG1 VAL 41 -9.349 7.332 -2.893 325 1HG2 VAL 41 1HG2 VAL 41 -8.065 5.329 -4.827 326 2HG2 VAL 41 2HG2 VAL 41 -8.276 7.040 -5.203 327 3HG2 VAL 41 3HG2 VAL 41 -6.675 6.306 -5.304 328 H GLU 42 H GLU 42 -6.579 10.290 -1.992 329 HA GLU 42 HA GLU 42 -5.400 9.219 0.451 330 1HB GLU 42 1HB GLU 42 -4.880 11.452 1.035 331 2HB GLU 42 2HB GLU 42 -4.582 11.338 -0.691 332 1HG GLU 42 1HG GLU 42 -6.923 12.640 0.680 333 2HG GLU 42 2HG GLU 42 -5.639 13.426 -0.233 334 H HIS 43 H HIS 43 -8.414 9.663 -0.767 335 HA HIS 43 HA HIS 43 -9.675 10.577 1.689 336 1HB HIS 43 1HB HIS 43 -10.300 11.361 -0.676 337 2HB HIS 43 2HB HIS 43 -11.045 9.782 -0.881 338 HD1 HIS 43 HD1 HIS 43 -13.446 9.684 -0.304 339 HD2 HIS 43 HD2 HIS 43 -11.495 12.793 1.661 340 HE1 HIS 43 HE1 HIS 43 -15.242 10.956 0.912 341 HE2 HIS 43 HE2 HIS 43 -14.064 12.917 1.971 342 H TRP 44 H TRP 44 -8.380 8.208 1.965 343 HA TRP 44 HA TRP 44 -10.443 6.113 1.876 344 1HB TRP 44 1HB TRP 44 -8.220 5.691 0.782 345 2HB TRP 44 2HB TRP 44 -7.469 5.817 2.366 346 HD1 TRP 44 HD1 TRP 44 -10.679 3.830 1.472 347 HE1 TRP 44 HE1 TRP 44 -10.272 1.357 2.080 348 HE3 TRP 44 HE3 TRP 44 -5.780 4.145 2.908 349 HZ2 TRP 44 HZ2 TRP 44 -8.151 -0.240 3.031 350 HZ3 TRP 44 HZ3 TRP 44 -4.635 2.095 3.649 351 HH2 TRP 44 HH2 TRP 44 -5.798 -0.050 3.709 352 HA PRO 45 HA PRO 45 -10.629 7.214 6.204 353 1HB PRO 45 1HB PRO 45 -13.113 6.352 6.671 354 2HB PRO 45 2HB PRO 45 -12.803 7.771 5.664 355 1HG PRO 45 1HG PRO 45 -13.523 4.992 4.857 356 2HG PRO 45 2HG PRO 45 -14.018 6.535 4.141 357 1HD PRO 45 1HD PRO 45 -11.981 4.868 3.196 358 2HD PRO 45 2HD PRO 45 -12.222 6.568 2.752 359 H VAL 46 H VAL 46 -8.926 5.325 6.278 360 HA VAL 46 HA VAL 46 -10.092 3.307 8.079 361 HB VAL 46 HB VAL 46 -7.801 2.896 6.143 362 1HG1 VAL 46 1HG1 VAL 46 -8.900 1.012 8.232 363 2HG1 VAL 46 2HG1 VAL 46 -7.681 0.612 7.021 364 3HG1 VAL 46 3HG1 VAL 46 -7.322 1.800 8.274 365 1HG2 VAL 46 1HG2 VAL 46 -10.514 1.590 6.343 366 2HG2 VAL 46 2HG2 VAL 46 -10.004 2.746 5.112 367 3HG2 VAL 46 3HG2 VAL 46 -9.247 1.154 5.197 368 HA PRO 47 HA PRO 47 -7.277 5.428 10.854 369 1HB PRO 47 1HB PRO 47 -8.366 3.601 12.866 370 2HB PRO 47 2HB PRO 47 -8.470 5.361 12.784 371 1HG PRO 47 1HG PRO 47 -10.613 3.764 12.377 372 2HG PRO 47 2HG PRO 47 -10.412 5.322 11.552 373 1HD PRO 47 1HD PRO 47 -9.908 2.553 10.524 374 2HD PRO 47 2HD PRO 47 -10.665 3.939 9.708 375 H SER 48 H SER 48 -5.499 4.403 9.791 376 HA SER 48 HA SER 48 -3.707 3.060 9.574 377 1HB SER 48 1HB SER 48 -2.539 2.499 11.702 378 2HB SER 48 2HB SER 48 -3.055 4.182 11.606 379 HG SER 48 HG SER 48 -5.053 3.098 12.734 380 H LEU 49 H LEU 49 -4.134 1.105 12.340 381 HA LEU 49 HA LEU 49 -5.007 -1.126 10.622 382 1HB LEU 49 1HB LEU 49 -2.488 -0.778 11.745 383 2HB LEU 49 2HB LEU 49 -3.281 -1.889 12.843 384 HG LEU 49 HG LEU 49 -1.977 -3.074 11.147 385 1HD1 LEU 49 1HD1 LEU 49 -3.689 -4.619 10.379 386 2HD1 LEU 49 2HD1 LEU 49 -3.969 -4.152 12.057 387 3HD1 LEU 49 3HD1 LEU 49 -4.943 -3.441 10.769 388 1HD2 LEU 49 1HD2 LEU 49 -2.665 -3.034 8.798 389 2HD2 LEU 49 2HD2 LEU 49 -3.842 -1.773 9.168 390 3HD2 LEU 49 3HD2 LEU 49 -2.118 -1.450 9.347 391 H GLY 50 H GLY 50 -6.506 0.626 12.454 392 1HA GLY 50 1HA GLY 50 -7.104 -0.794 14.842 393 2HA GLY 50 2HA GLY 50 -8.115 0.434 14.092 394 H GLN 51 H GLN 51 -8.160 -1.128 11.558 395 HA GLN 51 HA GLN 51 -9.919 -3.345 12.373 396 1HB GLN 51 1HB GLN 51 -10.451 -1.373 10.143 397 2HB GLN 51 2HB GLN 51 -11.432 -2.779 10.515 398 1HG GLN 51 1HG GLN 51 -12.102 -1.819 12.609 399 2HG GLN 51 2HG GLN 51 -11.002 -0.457 12.377 400 1HE2 GLN 51 2HE2 GLN 51 -13.921 -0.514 12.712 401 2HE2 GLN 51 1HE2 GLN 51 -14.565 0.295 11.321 402 H LEU 52 H LEU 52 -8.788 -1.879 9.362 403 HA LEU 52 HA LEU 52 -8.149 -2.751 7.387 404 1HB LEU 52 1HB LEU 52 -6.108 -3.149 8.843 405 2HB LEU 52 2HB LEU 52 -6.651 -4.811 8.999 406 HG LEU 52 HG LEU 52 -6.481 -5.104 6.566 407 1HD1 LEU 52 1HD1 LEU 52 -5.461 -3.386 5.181 408 2HD1 LEU 52 2HD1 LEU 52 -6.949 -2.789 5.917 409 3HD1 LEU 52 3HD1 LEU 52 -5.383 -2.295 6.564 410 1HD2 LEU 52 1HD2 LEU 52 -4.046 -5.043 6.399 411 2HD2 LEU 52 2HD2 LEU 52 -3.969 -3.997 7.817 412 3HD2 LEU 52 3HD2 LEU 52 -4.560 -5.651 7.973 413 H GLN 53 H GLN 53 -10.590 -3.554 8.248 414 HA GLN 53 HA GLN 53 -10.936 -6.375 7.780 415 1HB GLN 53 1HB GLN 53 -12.428 -5.150 9.305 416 2HB GLN 53 2HB GLN 53 -12.947 -4.119 7.980 417 1HG GLN 53 1HG GLN 53 -13.917 -6.070 6.857 418 2HG GLN 53 2HG GLN 53 -13.421 -7.082 8.214 419 1HE2 GLN 53 2HE2 GLN 53 -14.517 -6.934 10.157 420 2HE2 GLN 53 1HE2 GLN 53 -16.032 -6.116 10.306 421 HA PRO 54 HA PRO 54 -10.924 -6.423 3.356 422 1HB PRO 54 1HB PRO 54 -13.371 -8.101 3.723 423 2HB PRO 54 2HB PRO 54 -11.946 -8.392 2.718 424 1HG PRO 54 1HG PRO 54 -12.241 -9.662 5.030 425 2HG PRO 54 2HG PRO 54 -10.651 -9.067 4.519 426 1HD PRO 54 1HD PRO 54 -12.499 -7.994 6.588 427 2HD PRO 54 2HD PRO 54 -10.726 -7.979 6.539 428 H ALA 55 H ALA 55 -13.919 -5.706 5.076 429 HA ALA 55 HA ALA 55 -15.415 -4.774 2.881 430 1HB ALA 55 1HB ALA 55 -16.853 -3.707 4.531 431 2HB ALA 55 2HB ALA 55 -16.415 -5.338 5.042 432 3HB ALA 55 3HB ALA 55 -15.621 -3.942 5.771 433 H HIS 56 H HIS 56 -12.945 -3.255 4.835 434 HA HIS 56 HA HIS 56 -13.504 -0.652 3.604 435 1HB HIS 56 1HB HIS 56 -12.099 -1.515 6.079 436 2HB HIS 56 2HB HIS 56 -11.509 -0.055 5.290 437 HD1 HIS 56 HD1 HIS 56 -12.898 0.006 8.103 438 HD2 HIS 56 HD2 HIS 56 -14.810 0.719 4.475 439 HE1 HIS 56 HE1 HIS 56 -14.925 1.380 8.661 440 HE2 HIS 56 HE2 HIS 56 -16.023 1.880 6.446 441 H MET 57 H MET 57 -11.239 -3.264 3.554 442 HA MET 57 HA MET 57 -9.268 -1.706 2.073 443 1HB MET 57 1HB MET 57 -8.586 -3.371 3.819 444 2HB MET 57 2HB MET 57 -9.219 -4.644 2.788 445 1HG MET 57 1HG MET 57 -7.599 -4.090 1.068 446 2HG MET 57 2HG MET 57 -6.989 -2.760 2.052 447 1HE MET 57 1HE MET 57 -5.153 -5.083 0.797 448 2HE MET 57 2HE MET 57 -4.070 -5.386 2.156 449 3HE MET 57 3HE MET 57 -4.527 -3.733 1.742 450 H ASP 58 H ASP 58 -12.087 -3.162 1.376 451 HA ASP 58 HA ASP 58 -11.676 -4.772 -0.850 452 1HB ASP 58 1HB ASP 58 -13.840 -4.643 0.213 453 2HB ASP 58 2HB ASP 58 -13.984 -2.935 -0.186 454 H ALA 59 H ALA 59 -11.788 -1.276 -0.593 455 HA ALA 59 HA ALA 59 -11.980 -0.602 -3.296 456 1HB ALA 59 1HB ALA 59 -10.472 0.850 -1.123 457 2HB ALA 59 2HB ALA 59 -10.981 1.535 -2.668 458 3HB ALA 59 3HB ALA 59 -12.189 1.029 -1.487 459 H VAL 60 H VAL 60 -9.161 -1.404 -1.320 460 HA VAL 60 HA VAL 60 -7.212 -0.850 -3.311 461 HB VAL 60 HB VAL 60 -6.944 -2.777 -0.996 462 1HG1 VAL 60 1HG1 VAL 60 -5.149 -2.938 -2.620 463 2HG1 VAL 60 2HG1 VAL 60 -4.885 -1.197 -2.532 464 3HG1 VAL 60 3HG1 VAL 60 -4.560 -2.210 -1.125 465 1HG2 VAL 60 1HG2 VAL 60 -6.470 0.203 -1.031 466 2HG2 VAL 60 2HG2 VAL 60 -7.750 -0.643 -0.162 467 3HG2 VAL 60 3HG2 VAL 60 -6.065 -0.885 0.296 468 H LEU 61 H LEU 61 -8.984 -3.734 -2.338 469 HA LEU 61 HA LEU 61 -7.537 -5.540 -3.996 470 1HB LEU 61 1HB LEU 61 -10.297 -5.802 -2.799 471 2HB LEU 61 2HB LEU 61 -9.363 -7.110 -3.500 472 HG LEU 61 HG LEU 61 -8.591 -5.540 -1.038 473 1HD1 LEU 61 1HD1 LEU 61 -9.076 -7.612 0.165 474 2HD1 LEU 61 2HD1 LEU 61 -10.511 -6.982 -0.644 475 3HD1 LEU 61 3HD1 LEU 61 -9.640 -8.351 -1.335 476 1HD2 LEU 61 1HD2 LEU 61 -6.830 -7.210 -0.783 477 2HD2 LEU 61 2HD2 LEU 61 -7.312 -7.961 -2.305 478 3HD2 LEU 61 3HD2 LEU 61 -6.650 -6.326 -2.299 479 H ALA 62 H ALA 62 -10.414 -3.576 -4.414 480 HA ALA 62 HA ALA 62 -11.292 -4.718 -6.849 481 1HB ALA 62 1HB ALA 62 -12.654 -2.718 -7.089 482 2HB ALA 62 2HB ALA 62 -12.731 -3.328 -5.437 483 3HB ALA 62 3HB ALA 62 -11.735 -1.922 -5.810 484 H LEU 63 H LEU 63 -8.993 -2.166 -6.076 485 HA LEU 63 HA LEU 63 -8.561 -1.251 -8.714 486 1HB LEU 63 1HB LEU 63 -6.653 -1.318 -6.371 487 2HB LEU 63 2HB LEU 63 -6.403 -0.406 -7.848 488 HG LEU 63 HG LEU 63 -8.642 0.051 -5.873 489 1HD1 LEU 63 1HD1 LEU 63 -6.161 1.669 -6.440 490 2HD1 LEU 63 2HD1 LEU 63 -7.465 2.116 -5.338 491 3HD1 LEU 63 3HD1 LEU 63 -6.462 0.707 -4.992 492 1HD2 LEU 63 1HD2 LEU 63 -9.092 2.061 -7.195 493 2HD2 LEU 63 2HD2 LEU 63 -7.848 1.581 -8.348 494 3HD2 LEU 63 3HD2 LEU 63 -9.298 0.596 -8.154 495 H ASN 64 H ASN 64 -7.229 -3.862 -6.816 496 HA ASN 64 HA ASN 64 -6.078 -5.734 -7.316 497 1HB ASN 64 1HB ASN 64 -7.975 -6.145 -8.796 498 2HB ASN 64 2HB ASN 64 -7.189 -5.243 -10.086 499 1HD2 ASN 64 2HD2 ASN 64 -5.681 -6.226 -11.332 500 2HD2 ASN 64 1HD2 ASN 64 -5.236 -7.893 -11.179 501 HA PRO 65 HA PRO 65 -2.351 -3.902 -9.137 502 1HB PRO 65 1HB PRO 65 -0.921 -3.715 -6.837 503 2HB PRO 65 2HB PRO 65 -2.029 -2.452 -7.383 504 1HG PRO 65 1HG PRO 65 -2.290 -4.286 -5.128 505 2HG PRO 65 2HG PRO 65 -3.213 -2.821 -5.488 506 1HD PRO 65 1HD PRO 65 -3.929 -5.604 -5.963 507 2HD PRO 65 2HD PRO 65 -4.942 -4.152 -6.091 508 H ALA 66 H ALA 66 -0.094 -4.794 -9.057 509 HA ALA 66 HA ALA 66 -0.197 -7.679 -9.002 510 1HB ALA 66 1HB ALA 66 2.113 -5.838 -9.628 511 2HB ALA 66 2HB ALA 66 2.064 -7.579 -9.911 512 3HB ALA 66 3HB ALA 66 0.984 -6.510 -10.806 513 H VAL 67 H VAL 67 1.361 -5.086 -7.213 514 HA VAL 67 HA VAL 67 1.779 -6.926 -4.981 515 HB VAL 67 HB VAL 67 3.931 -6.937 -6.106 516 1HG1 VAL 67 1HG1 VAL 67 5.246 -4.893 -6.413 517 2HG1 VAL 67 2HG1 VAL 67 3.755 -4.870 -7.355 518 3HG1 VAL 67 3HG1 VAL 67 3.871 -3.935 -5.864 519 1HG2 VAL 67 1HG2 VAL 67 3.973 -6.990 -3.677 520 2HG2 VAL 67 2HG2 VAL 67 5.374 -6.121 -4.302 521 3HG2 VAL 67 3HG2 VAL 67 4.013 -5.228 -3.622 522 H ILE 68 H ILE 68 1.740 -5.893 -2.933 523 HA ILE 68 HA ILE 68 0.842 -3.084 -3.044 524 HB ILE 68 HB ILE 68 -0.204 -5.173 -1.127 525 1HG1 ILE 68 1HG1 ILE 68 -1.558 -3.975 -3.555 526 2HG1 ILE 68 2HG1 ILE 68 -0.926 -5.614 -3.458 527 1HG2 ILE 68 1HG2 ILE 68 -0.246 -2.909 -0.241 528 2HG2 ILE 68 2HG2 ILE 68 -1.083 -2.341 -1.686 529 3HG2 ILE 68 3HG2 ILE 68 -1.883 -3.465 -0.587 530 1HD1 ILE 68 1HD1 ILE 68 -3.153 -4.484 -1.778 531 2HD1 ILE 68 2HD1 ILE 68 -3.336 -5.564 -3.160 532 3HD1 ILE 68 3HD1 ILE 68 -2.530 -6.131 -1.699 533 H LEU 69 H LEU 69 1.973 -1.734 -1.829 534 HA LEU 69 HA LEU 69 3.682 -2.831 0.294 535 1HB LEU 69 1HB LEU 69 3.740 -0.145 -1.090 536 2HB LEU 69 2HB LEU 69 4.819 -0.622 0.207 537 HG LEU 69 HG LEU 69 4.673 -1.917 -2.516 538 1HD1 LEU 69 1HD1 LEU 69 6.734 -0.094 -1.288 539 2HD1 LEU 69 2HD1 LEU 69 6.888 -0.920 -2.839 540 3HD1 LEU 69 3HD1 LEU 69 5.641 0.306 -2.613 541 1HD2 LEU 69 1HD2 LEU 69 6.525 -2.410 -0.188 542 2HD2 LEU 69 2HD2 LEU 69 5.289 -3.514 -0.791 543 3HD2 LEU 69 3HD2 LEU 69 6.684 -3.119 -1.795 544 H LEU 70 H LEU 70 2.838 -2.744 2.263 545 HA LEU 70 HA LEU 70 0.871 -0.636 2.848 546 1HB LEU 70 1HB LEU 70 0.050 -2.942 3.069 547 2HB LEU 70 2HB LEU 70 1.329 -3.291 4.215 548 HG LEU 70 HG LEU 70 0.354 -1.620 5.768 549 1HD1 LEU 70 1HD1 LEU 70 -1.892 -1.518 3.760 550 2HD1 LEU 70 2HD1 LEU 70 -1.890 -0.768 5.357 551 3HD1 LEU 70 3HD1 LEU 70 -0.764 -0.210 4.119 552 1HD2 LEU 70 1HD2 LEU 70 -1.541 -3.786 4.864 553 2HD2 LEU 70 2HD2 LEU 70 -0.189 -3.989 5.980 554 3HD2 LEU 70 3HD2 LEU 70 -1.562 -2.979 6.433 555 H GLY 71 H GLY 71 1.821 1.038 3.797 556 1HA GLY 71 1HA GLY 71 3.902 0.485 5.821 557 2HA GLY 71 2HA GLY 71 3.790 1.973 4.889 558 H THR 72 H THR 72 3.315 0.745 7.867 559 HA THR 72 HA THR 72 1.089 2.582 8.441 560 HB THR 72 HB THR 72 0.943 1.249 10.623 561 HG1 THR 72 HG1 THR 72 2.747 0.024 10.686 562 1HG2 THR 72 1HG2 THR 72 -0.381 -0.535 9.577 563 2HG2 THR 72 2HG2 THR 72 -0.699 1.031 8.829 564 3HG2 THR 72 3HG2 THR 72 0.334 -0.142 8.013 565 H GLY 73 H GLY 73 2.649 4.352 8.407 566 1HA GLY 73 1HA GLY 73 4.057 5.860 9.415 567 2HA GLY 73 2HA GLY 73 3.499 5.179 10.936 568 H GLU 74 H GLU 74 5.442 5.186 12.010 569 HA GLU 74 HA GLU 74 7.564 3.490 10.913 570 1HB GLU 74 1HB GLU 74 7.497 5.409 13.240 571 2HB GLU 74 2HB GLU 74 8.812 4.269 13.010 572 1HG GLU 74 1HG GLU 74 9.677 6.139 12.036 573 2HG GLU 74 2HG GLU 74 8.954 5.346 10.641 574 H ARG 75 H ARG 75 4.886 2.648 12.047 575 HA ARG 75 HA ARG 75 5.904 0.852 14.154 576 1HB ARG 75 1HB ARG 75 3.103 1.960 13.854 577 2HB ARG 75 2HB ARG 75 3.624 0.821 15.090 578 1HG ARG 75 1HG ARG 75 5.172 2.499 15.977 579 2HG ARG 75 2HG ARG 75 4.626 3.642 14.748 580 1HD ARG 75 1HD ARG 75 3.509 4.089 16.848 581 2HD ARG 75 2HD ARG 75 2.346 3.502 15.661 582 HE ARG 75 HE ARG 75 3.346 1.347 17.210 583 1HH1 ARG 75 1HH1 ARG 75 1.224 4.123 17.442 584 2HH1 ARG 75 2HH1 ARG 75 0.199 3.411 18.646 585 1HH2 ARG 75 1HH2 ARG 75 1.997 0.397 18.800 586 2HH2 ARG 75 2HH2 ARG 75 0.625 1.283 19.403 587 H GLN 76 H GLN 76 6.328 -0.965 13.004 588 HA GLN 76 HA GLN 76 4.824 -1.738 10.718 589 1HB GLN 76 1HB GLN 76 7.250 -2.267 11.147 590 2HB GLN 76 2HB GLN 76 6.713 -3.462 12.319 591 1HG GLN 76 1HG GLN 76 5.447 -4.586 10.498 592 2HG GLN 76 2HG GLN 76 6.173 -3.452 9.360 593 1HE2 GLN 76 2HE2 GLN 76 7.757 -4.866 12.155 594 2HE2 GLN 76 1HE2 GLN 76 8.925 -5.778 11.259 595 H GLN 77 H GLN 77 2.865 -2.550 10.768 596 HA GLN 77 HA GLN 77 1.994 -4.203 13.029 597 1HB GLN 77 1HB GLN 77 0.448 -2.890 10.787 598 2HB GLN 77 2HB GLN 77 -0.275 -3.911 12.021 599 1HG GLN 77 1HG GLN 77 1.214 -1.354 12.573 600 2HG GLN 77 2HG GLN 77 -0.539 -1.493 12.448 601 1HE2 GLN 77 2HE2 GLN 77 -1.679 -2.558 14.069 602 2HE2 GLN 77 1HE2 GLN 77 -0.988 -2.874 15.621 603 H PHE 78 H PHE 78 0.072 -5.730 11.886 604 HA PHE 78 HA PHE 78 1.397 -7.216 9.730 605 1HB PHE 78 1HB PHE 78 0.798 -9.344 10.776 606 2HB PHE 78 2HB PHE 78 1.823 -8.401 11.849 607 HD1 PHE 78 HD1 PHE 78 0.825 -7.286 13.837 608 HD2 PHE 78 HD2 PHE 78 -1.393 -9.979 11.398 609 HE1 PHE 78 HE1 PHE 78 -0.830 -7.551 15.639 610 HE2 PHE 78 HE2 PHE 78 -3.053 -10.245 13.195 611 HZ PHE 78 HZ PHE 78 -2.772 -9.031 15.318 612 HA PRO 79 HA PRO 79 -2.549 -7.056 7.739 613 1HB PRO 79 1HB PRO 79 -2.001 -9.727 6.628 614 2HB PRO 79 2HB PRO 79 -2.210 -8.186 5.792 615 1HG PRO 79 1HG PRO 79 0.192 -9.375 5.979 616 2HG PRO 79 2HG PRO 79 0.015 -7.610 6.014 617 1HD PRO 79 1HD PRO 79 0.454 -9.520 8.281 618 2HD PRO 79 2HD PRO 79 1.170 -7.918 8.002 619 H SER 80 H SER 80 -4.538 -7.532 8.386 620 HA SER 80 HA SER 80 -5.111 -9.307 10.463 621 1HB SER 80 1HB SER 80 -7.047 -8.168 8.433 622 2HB SER 80 2HB SER 80 -7.436 -8.741 10.056 623 HG SER 80 HG SER 80 -7.224 -6.465 10.000 624 H THR 81 H THR 81 -6.190 -11.280 10.519 625 HA THR 81 HA THR 81 -5.351 -13.222 8.744 626 HB THR 81 HB THR 81 -7.833 -13.444 10.447 627 HG1 THR 81 HG1 THR 81 -6.505 -13.750 12.188 628 1HG2 THR 81 1HG2 THR 81 -7.368 -15.355 8.975 629 2HG2 THR 81 2HG2 THR 81 -5.739 -15.471 9.640 630 3HG2 THR 81 3HG2 THR 81 -7.135 -15.783 10.670 631 H ASP 82 H ASP 82 -8.385 -11.420 8.777 632 HA ASP 82 HA ASP 82 -9.815 -12.910 6.895 633 1HB ASP 82 1HB ASP 82 -9.931 -9.933 7.419 634 2HB ASP 82 2HB ASP 82 -11.152 -10.866 6.562 635 H VAL 83 H VAL 83 -7.390 -10.416 6.490 636 HA VAL 83 HA VAL 83 -7.928 -9.997 3.698 637 HB VAL 83 HB VAL 83 -5.512 -9.135 5.299 638 1HG1 VAL 83 1HG1 VAL 83 -5.273 -7.406 3.598 639 2HG1 VAL 83 2HG1 VAL 83 -5.195 -9.015 2.881 640 3HG1 VAL 83 3HG1 VAL 83 -6.666 -8.053 2.732 641 1HG2 VAL 83 1HG2 VAL 83 -6.677 -6.997 5.589 642 2HG2 VAL 83 2HG2 VAL 83 -8.107 -7.678 4.813 643 3HG2 VAL 83 3HG2 VAL 83 -7.547 -8.327 6.353 644 H LEU 84 H LEU 84 -5.924 -12.083 5.585 645 HA LEU 84 HA LEU 84 -3.850 -12.627 3.795 646 1HB LEU 84 1HB LEU 84 -5.120 -14.481 5.808 647 2HB LEU 84 2HB LEU 84 -3.561 -14.728 5.043 648 HG LEU 84 HG LEU 84 -4.254 -12.442 6.893 649 1HD1 LEU 84 1HD1 LEU 84 -2.592 -14.916 7.343 650 2HD1 LEU 84 2HD1 LEU 84 -2.752 -13.567 8.467 651 3HD1 LEU 84 3HD1 LEU 84 -4.157 -14.559 8.074 652 1HD2 LEU 84 1HD2 LEU 84 -1.624 -13.250 5.653 653 2HD2 LEU 84 2HD2 LEU 84 -2.576 -11.827 5.229 654 3HD2 LEU 84 3HD2 LEU 84 -1.858 -11.962 6.835 655 H ALA 85 H ALA 85 -7.100 -13.942 4.005 656 HA ALA 85 HA ALA 85 -6.773 -16.151 2.307 657 1HB ALA 85 1HB ALA 85 -8.721 -15.858 3.749 658 2HB ALA 85 2HB ALA 85 -9.249 -14.491 2.767 659 3HB ALA 85 3HB ALA 85 -9.203 -16.111 2.071 660 H ALA 86 H ALA 86 -7.637 -12.793 1.605 661 HA ALA 86 HA ALA 86 -8.153 -13.256 -1.167 662 1HB ALA 86 1HB ALA 86 -9.207 -11.417 0.053 663 2HB ALA 86 2HB ALA 86 -7.629 -10.662 0.281 664 3HB ALA 86 3HB ALA 86 -8.301 -10.829 -1.341 665 H CYS 87 H CYS 87 -5.385 -12.140 0.699 666 HA CYS 87 HA CYS 87 -3.824 -11.337 -1.534 667 1HB CYS 87 1HB CYS 87 -2.899 -12.176 1.222 668 2HB CYS 87 2HB CYS 87 -1.958 -11.267 0.043 669 HG CYS 87 HG CYS 87 -4.738 -10.183 1.714 670 H LEU 88 H LEU 88 -4.089 -14.329 0.312 671 HA LEU 88 HA LEU 88 -1.883 -15.638 -0.888 672 1HB LEU 88 1HB LEU 88 -3.021 -16.193 1.308 673 2HB LEU 88 2HB LEU 88 -4.297 -16.938 0.371 674 HG LEU 88 HG LEU 88 -1.447 -17.852 0.069 675 1HD1 LEU 88 1HD1 LEU 88 -1.953 -17.919 2.456 676 2HD1 LEU 88 2HD1 LEU 88 -3.439 -18.809 2.122 677 3HD1 LEU 88 3HD1 LEU 88 -1.873 -19.544 1.777 678 1HD2 LEU 88 1HD2 LEU 88 -3.066 -18.642 -1.579 679 2HD2 LEU 88 2HD2 LEU 88 -2.534 -19.963 -0.541 680 3HD2 LEU 88 3HD2 LEU 88 -4.114 -19.223 -0.285 681 H THR 89 H THR 89 -5.374 -15.713 -1.553 682 HA THR 89 HA THR 89 -5.283 -17.786 -3.452 683 HB THR 89 HB THR 89 -7.512 -16.767 -4.223 684 HG1 THR 89 HG1 THR 89 -7.515 -15.337 -1.816 685 1HG2 THR 89 1HG2 THR 89 -7.357 -18.655 -2.678 686 2HG2 THR 89 2HG2 THR 89 -7.139 -17.543 -1.326 687 3HG2 THR 89 3HG2 THR 89 -8.666 -17.569 -2.210 688 H ARG 90 H ARG 90 -5.369 -14.249 -3.923 689 HA ARG 90 HA ARG 90 -5.156 -14.482 -6.767 690 1HB ARG 90 1HB ARG 90 -4.773 -12.103 -4.943 691 2HB ARG 90 2HB ARG 90 -4.757 -12.014 -6.698 692 1HG ARG 90 1HG ARG 90 -7.076 -12.903 -6.712 693 2HG ARG 90 2HG ARG 90 -7.071 -12.821 -4.948 694 1HD ARG 90 1HD ARG 90 -6.645 -10.406 -5.075 695 2HD ARG 90 2HD ARG 90 -6.684 -10.499 -6.834 696 HE ARG 90 HE ARG 90 -9.076 -11.558 -5.749 697 1HH1 ARG 90 1HH1 ARG 90 -7.448 -8.514 -6.359 698 2HH1 ARG 90 2HH1 ARG 90 -8.915 -7.587 -6.392 699 1HH2 ARG 90 1HH2 ARG 90 -10.992 -10.364 -5.815 700 2HH2 ARG 90 2HH2 ARG 90 -10.949 -8.644 -6.079 701 H GLY 91 H GLY 91 -2.905 -14.440 -4.162 702 1HA GLY 91 1HA GLY 91 -0.633 -14.882 -4.224 703 2HA GLY 91 2HA GLY 91 -0.717 -14.894 -5.981 704 H ILE 92 H ILE 92 -1.430 -12.435 -3.514 705 HA ILE 92 HA ILE 92 0.271 -10.577 -5.046 706 HB ILE 92 HB ILE 92 -1.978 -9.901 -3.137 707 1HG1 ILE 92 1HG1 ILE 92 -1.879 -9.742 -6.160 708 2HG1 ILE 92 2HG1 ILE 92 -2.780 -10.937 -5.233 709 1HG2 ILE 92 1HG2 ILE 92 -0.242 -8.196 -3.191 710 2HG2 ILE 92 2HG2 ILE 92 -0.334 -8.138 -4.951 711 3HG2 ILE 92 3HG2 ILE 92 -1.709 -7.614 -3.979 712 1HD1 ILE 92 1HD1 ILE 92 -4.152 -9.146 -4.283 713 2HD1 ILE 92 2HD1 ILE 92 -3.260 -7.967 -5.244 714 3HD1 ILE 92 3HD1 ILE 92 -4.244 -9.193 -6.043 715 H GLY 93 H GLY 93 2.070 -9.836 -4.109 716 1HA GLY 93 1HA GLY 93 2.752 -10.613 -1.432 717 2HA GLY 93 2HA GLY 93 3.716 -9.612 -2.512 718 H LEU 94 H LEU 94 1.690 -9.659 0.193 719 HA LEU 94 HA LEU 94 1.273 -6.766 0.124 720 1HB LEU 94 1HB LEU 94 -0.634 -8.159 0.771 721 2HB LEU 94 2HB LEU 94 0.302 -8.862 2.073 722 HG LEU 94 HG LEU 94 0.395 -6.673 3.193 723 1HD1 LEU 94 1HD1 LEU 94 -1.379 -5.754 0.936 724 2HD1 LEU 94 2HD1 LEU 94 -0.978 -4.824 2.381 725 3HD1 LEU 94 3HD1 LEU 94 0.285 -5.243 1.222 726 1HD2 LEU 94 1HD2 LEU 94 -2.385 -7.563 2.439 727 2HD2 LEU 94 2HD2 LEU 94 -1.399 -8.217 3.748 728 3HD2 LEU 94 3HD2 LEU 94 -1.969 -6.550 3.822 729 H GLU 95 H GLU 95 3.179 -5.816 0.591 730 HA GLU 95 HA GLU 95 4.902 -6.963 2.634 731 1HB GLU 95 1HB GLU 95 5.293 -4.598 0.797 732 2HB GLU 95 2HB GLU 95 6.502 -5.205 1.917 733 1HG GLU 95 1HG GLU 95 5.331 -6.713 -0.410 734 2HG GLU 95 2HG GLU 95 6.928 -5.967 -0.348 735 H ALA 96 H ALA 96 4.130 -6.529 4.623 736 HA ALA 96 HA ALA 96 3.197 -3.901 5.358 737 1HB ALA 96 1HB ALA 96 2.229 -5.907 6.391 738 2HB ALA 96 2HB ALA 96 3.797 -6.295 7.099 739 3HB ALA 96 3HB ALA 96 2.942 -4.834 7.594 740 H MET 97 H MET 97 4.587 -2.299 5.624 741 HA MET 97 HA MET 97 7.113 -2.785 7.031 742 1HB MET 97 1HB MET 97 6.872 -1.378 4.361 743 2HB MET 97 2HB MET 97 8.316 -1.387 5.358 744 1HG MET 97 1HG MET 97 8.502 -3.796 5.095 745 2HG MET 97 2HG MET 97 7.031 -3.808 4.121 746 1HE MET 97 1HE MET 97 8.306 -5.093 2.176 747 2HE MET 97 2HE MET 97 9.771 -5.098 3.158 748 3HE MET 97 3HE MET 97 9.833 -4.546 1.484 749 H THR 98 H THR 98 8.230 -0.355 6.923 750 HA THR 98 HA THR 98 6.303 1.421 8.183 751 HB THR 98 HB THR 98 8.275 2.859 8.634 752 HG1 THR 98 HG1 THR 98 10.380 1.720 8.150 753 1HG2 THR 98 1HG2 THR 98 7.666 1.126 10.253 754 2HG2 THR 98 2HG2 THR 98 8.684 -0.035 9.402 755 3HG2 THR 98 3HG2 THR 98 9.414 1.357 10.202 756 H ASN 99 H ASN 99 6.249 3.720 7.466 757 HA ASN 99 HA ASN 99 5.673 4.018 4.755 758 1HB ASN 99 1HB ASN 99 6.364 6.044 6.881 759 2HB ASN 99 2HB ASN 99 5.910 6.516 5.246 760 1HD2 ASN 99 2HD2 ASN 99 4.131 7.619 6.254 761 2HD2 ASN 99 1HD2 ASN 99 2.709 6.729 6.699 762 H ALA 100 H ALA 100 8.674 4.531 6.499 763 HA ALA 100 HA ALA 100 10.081 5.732 4.336 764 1HB ALA 100 1HB ALA 100 10.748 6.023 6.680 765 2HB ALA 100 2HB ALA 100 11.184 4.316 6.757 766 3HB ALA 100 3HB ALA 100 12.067 5.404 5.686 767 H ALA 101 H ALA 101 9.916 2.421 5.622 768 HA ALA 101 HA ALA 101 11.812 1.325 3.829 769 1HB ALA 101 1HB ALA 101 10.942 -0.850 4.540 770 2HB ALA 101 2HB ALA 101 11.216 0.218 5.917 771 3HB ALA 101 3HB ALA 101 9.579 -0.048 5.320 772 H ALA 102 H ALA 102 8.305 1.691 3.706 773 HA ALA 102 HA ALA 102 7.857 0.186 1.369 774 1HB ALA 102 1HB ALA 102 6.064 0.875 2.896 775 2HB ALA 102 2HB ALA 102 6.287 2.550 2.391 776 3HB ALA 102 3HB ALA 102 5.727 1.347 1.230 777 H ALA 103 H ALA 103 8.730 3.568 1.888 778 HA ALA 103 HA ALA 103 8.515 4.421 -0.793 779 1HB ALA 103 1HB ALA 103 9.923 6.296 -0.115 780 2HB ALA 103 2HB ALA 103 8.679 5.975 1.093 781 3HB ALA 103 3HB ALA 103 10.341 5.454 1.378 782 H ARG 104 H ARG 104 11.066 2.831 1.005 783 HA ARG 104 HA ARG 104 13.084 3.087 -0.985 784 1HB ARG 104 1HB ARG 104 13.536 2.662 1.419 785 2HB ARG 104 2HB ARG 104 12.826 1.066 1.256 786 1HG ARG 104 1HG ARG 104 15.147 1.851 -0.453 787 2HG ARG 104 2HG ARG 104 15.400 1.350 1.217 788 1HD ARG 104 1HD ARG 104 14.132 -0.245 -1.003 789 2HD ARG 104 2HD ARG 104 15.669 -0.563 -0.200 790 HE ARG 104 HE ARG 104 13.611 -0.558 1.719 791 1HH1 ARG 104 1HH1 ARG 104 14.859 -2.503 -0.914 792 2HH1 ARG 104 2HH1 ARG 104 14.166 -3.981 -0.312 793 1HH2 ARG 104 1HH2 ARG 104 12.720 -2.489 2.516 794 2HH2 ARG 104 2HH2 ARG 104 12.929 -3.972 1.636 795 H THR 105 H THR 105 10.880 0.450 -0.068 796 HA THR 105 HA THR 105 11.729 -1.365 -2.051 797 HB THR 105 HB THR 105 8.983 -1.248 -0.792 798 HG1 THR 105 HG1 THR 105 9.879 -1.914 1.021 799 1HG2 THR 105 1HG2 THR 105 9.212 -2.851 -2.629 800 2HG2 THR 105 2HG2 THR 105 10.632 -3.549 -1.850 801 3HG2 THR 105 3HG2 THR 105 9.049 -3.686 -1.082 802 H TYR 106 H TYR 106 9.401 1.248 -2.067 803 HA TYR 106 HA TYR 106 7.914 0.619 -4.334 804 1HB TYR 106 1HB TYR 106 7.380 2.463 -2.769 805 2HB TYR 106 2HB TYR 106 8.754 3.371 -3.391 806 HD1 TYR 106 HD1 TYR 106 5.429 2.011 -4.256 807 HD2 TYR 106 HD2 TYR 106 8.586 4.621 -5.410 808 HE1 TYR 106 HE1 TYR 106 3.983 2.983 -5.990 809 HE2 TYR 106 HE2 TYR 106 7.149 5.599 -7.149 810 HH TYR 106 HH TYR 106 5.174 4.985 -8.462 811 H ASN 107 H ASN 107 11.008 2.315 -4.055 812 HA ASN 107 HA ASN 107 11.283 3.090 -6.734 813 1HB ASN 107 1HB ASN 107 12.718 3.952 -4.929 814 2HB ASN 107 2HB ASN 107 13.453 2.363 -4.750 815 1HD2 ASN 107 2HD2 ASN 107 14.966 1.670 -6.251 816 2HD2 ASN 107 1HD2 ASN 107 15.650 2.723 -7.436 817 H VAL 108 H VAL 108 12.127 0.096 -5.085 818 HA VAL 108 HA VAL 108 13.546 -1.062 -7.257 819 HB VAL 108 HB VAL 108 12.193 -2.463 -4.946 820 1HG1 VAL 108 1HG1 VAL 108 13.843 -4.232 -5.353 821 2HG1 VAL 108 2HG1 VAL 108 12.786 -3.986 -6.743 822 3HG1 VAL 108 3HG1 VAL 108 14.429 -3.349 -6.763 823 1HG2 VAL 108 1HG2 VAL 108 14.997 -1.383 -5.184 824 2HG2 VAL 108 2HG2 VAL 108 13.723 -0.769 -4.130 825 3HG2 VAL 108 3HG2 VAL 108 14.394 -2.377 -3.858 826 H LEU 109 H LEU 109 10.235 -1.456 -6.033 827 HA LEU 109 HA LEU 109 9.512 -3.454 -7.906 828 1HB LEU 109 1HB LEU 109 7.741 -1.586 -6.332 829 2HB LEU 109 2HB LEU 109 7.212 -3.040 -7.158 830 HG LEU 109 HG LEU 109 9.099 -2.920 -4.804 831 1HD1 LEU 109 1HD1 LEU 109 7.296 -4.060 -3.613 832 2HD1 LEU 109 2HD1 LEU 109 6.785 -2.478 -4.203 833 3HD1 LEU 109 3HD1 LEU 109 6.274 -3.941 -5.046 834 1HD2 LEU 109 1HD2 LEU 109 8.029 -5.302 -6.312 835 2HD2 LEU 109 2HD2 LEU 109 9.696 -4.729 -6.326 836 3HD2 LEU 109 3HD2 LEU 109 8.993 -5.360 -4.837 837 H ALA 110 H ALA 110 9.182 0.059 -7.894 838 HA ALA 110 HA ALA 110 7.589 0.254 -10.221 839 1HB ALA 110 1HB ALA 110 9.535 2.272 -9.103 840 2HB ALA 110 2HB ALA 110 8.257 2.595 -10.275 841 3HB ALA 110 3HB ALA 110 7.843 2.101 -8.633 842 H SER 111 H SER 111 11.089 0.251 -9.707 843 HA SER 111 HA SER 111 11.771 0.683 -12.432 844 1HB SER 111 1HB SER 111 13.414 -0.588 -10.229 845 2HB SER 111 2HB SER 111 14.036 0.036 -11.757 846 HG SER 111 HG SER 111 13.062 1.420 -9.518 847 H GLU 112 H GLU 112 10.936 -2.113 -10.553 848 HA GLU 112 HA GLU 112 11.885 -4.050 -12.432 849 1HB GLU 112 1HB GLU 112 11.504 -4.497 -9.996 850 2HB GLU 112 2HB GLU 112 9.774 -4.375 -10.287 851 1HG GLU 112 1HG GLU 112 10.519 -6.694 -10.186 852 2HG GLU 112 2HG GLU 112 9.862 -6.289 -11.771 853 H GLY 113 H GLY 113 9.214 -1.957 -12.293 854 1HA GLY 113 1HA GLY 113 7.734 -1.548 -14.045 855 2HA GLY 113 2HA GLY 113 8.204 -3.077 -14.772 856 H ARG 114 H ARG 114 7.489 -3.464 -11.508 857 HA ARG 114 HA ARG 114 5.032 -4.830 -12.192 858 1HB ARG 114 1HB ARG 114 6.785 -4.743 -9.780 859 2HB ARG 114 2HB ARG 114 5.102 -5.213 -9.573 860 1HG ARG 114 1HG ARG 114 5.460 -6.940 -11.351 861 2HG ARG 114 2HG ARG 114 7.179 -6.547 -11.290 862 1HD ARG 114 1HD ARG 114 7.381 -7.311 -9.072 863 2HD ARG 114 2HD ARG 114 5.632 -7.333 -8.836 864 HE ARG 114 HE ARG 114 6.313 -9.090 -10.931 865 1HH1 ARG 114 1HH1 ARG 114 6.594 -8.819 -7.443 866 2HH1 ARG 114 2HH1 ARG 114 6.582 -10.537 -7.189 867 1HH2 ARG 114 1HH2 ARG 114 6.266 -11.352 -10.585 868 2HH2 ARG 114 2HH2 ARG 114 6.377 -11.977 -8.963 869 H ARG 115 H ARG 115 3.033 -4.177 -11.803 870 HA ARG 115 HA ARG 115 2.546 -1.467 -11.102 871 1HB ARG 115 1HB ARG 115 1.130 -2.808 -12.659 872 2HB ARG 115 2HB ARG 115 0.554 -3.737 -11.283 873 1HG ARG 115 1HG ARG 115 -1.006 -1.967 -12.038 874 2HG ARG 115 2HG ARG 115 -0.519 -1.817 -10.349 875 1HD ARG 115 1HD ARG 115 -0.564 0.330 -11.676 876 2HD ARG 115 2HD ARG 115 0.942 -0.021 -10.830 877 HE ARG 115 HE ARG 115 1.430 -1.030 -13.270 878 1HH1 ARG 115 1HH1 ARG 115 0.043 2.054 -12.325 879 2HH1 ARG 115 2HH1 ARG 115 0.791 2.919 -13.638 880 1HH2 ARG 115 1HH2 ARG 115 2.407 0.118 -14.973 881 2HH2 ARG 115 2HH2 ARG 115 2.132 1.832 -15.130 882 H VAL 116 H VAL 116 3.157 -0.933 -9.112 883 HA VAL 116 HA VAL 116 2.325 -2.596 -6.856 884 HB VAL 116 HB VAL 116 4.693 -2.116 -6.933 885 1HG1 VAL 116 1HG1 VAL 116 5.558 0.180 -6.737 886 2HG1 VAL 116 2HG1 VAL 116 4.683 -0.087 -8.245 887 3HG1 VAL 116 3HG1 VAL 116 3.917 0.797 -6.925 888 1HG2 VAL 116 1HG2 VAL 116 5.011 -1.086 -4.729 889 2HG2 VAL 116 2HG2 VAL 116 3.340 -0.526 -4.757 890 3HG2 VAL 116 3HG2 VAL 116 3.690 -2.255 -4.726 891 H ALA 117 H ALA 117 0.991 -1.888 -5.293 892 HA ALA 117 HA ALA 117 -0.129 0.817 -5.562 893 1HB ALA 117 1HB ALA 117 -1.203 -1.578 -4.068 894 2HB ALA 117 2HB ALA 117 -1.987 -0.002 -4.188 895 3HB ALA 117 3HB ALA 117 -1.771 -0.993 -5.631 896 H LEU 118 H LEU 118 0.826 2.263 -4.285 897 HA LEU 118 HA LEU 118 2.193 1.385 -1.878 898 1HB LEU 118 1HB LEU 118 3.285 2.977 -3.401 899 2HB LEU 118 2HB LEU 118 1.984 4.122 -3.139 900 HG LEU 118 HG LEU 118 2.626 4.274 -0.752 901 1HD1 LEU 118 1HD1 LEU 118 4.764 3.344 -0.025 902 2HD1 LEU 118 2HD1 LEU 118 3.641 2.072 -0.503 903 3HD1 LEU 118 3HD1 LEU 118 4.950 2.544 -1.586 904 1HD2 LEU 118 1HD2 LEU 118 4.697 5.542 -1.115 905 2HD2 LEU 118 2HD2 LEU 118 4.830 4.844 -2.729 906 3HD2 LEU 118 3HD2 LEU 118 3.477 5.904 -2.337 907 H ALA 119 H ALA 119 0.622 0.878 -0.419 908 HA ALA 119 HA ALA 119 -1.394 2.874 0.251 909 1HB ALA 119 1HB ALA 119 -0.915 0.123 1.404 910 2HB ALA 119 2HB ALA 119 -2.275 1.180 1.784 911 3HB ALA 119 3HB ALA 119 -2.093 0.531 0.154 912 H MET 120 H MET 120 -0.175 4.516 1.120 913 HA MET 120 HA MET 120 1.580 3.841 3.366 914 1HB MET 120 1HB MET 120 2.614 5.161 1.594 915 2HB MET 120 2HB MET 120 1.363 6.387 1.753 916 1HG MET 120 1HG MET 120 2.129 6.986 3.933 917 2HG MET 120 2HG MET 120 3.256 5.632 3.962 918 1HE MET 120 1HE MET 120 5.908 6.685 1.306 919 2HE MET 120 2HE MET 120 4.484 5.677 1.047 920 3HE MET 120 3HE MET 120 5.444 5.487 2.515 921 H ILE 121 H ILE 121 0.647 3.880 5.247 922 HA ILE 121 HA ILE 121 -1.599 5.654 5.770 923 HB ILE 121 HB ILE 121 -0.325 3.476 7.433 924 1HG1 ILE 121 1HG1 ILE 121 -2.994 3.623 6.011 925 2HG1 ILE 121 2HG1 ILE 121 -1.596 2.704 5.466 926 1HG2 ILE 121 1HG2 ILE 121 -2.109 3.768 9.027 927 2HG2 ILE 121 2HG2 ILE 121 -1.246 5.291 8.835 928 3HG2 ILE 121 3HG2 ILE 121 -2.814 5.062 8.057 929 1HD1 ILE 121 1HD1 ILE 121 -1.738 1.315 7.472 930 2HD1 ILE 121 2HD1 ILE 121 -3.154 2.227 7.994 931 3HD1 ILE 121 3HD1 ILE 121 -3.223 1.260 6.521 932 H VAL 122 H VAL 122 -1.113 7.649 6.327 933 HA VAL 122 HA VAL 122 1.299 8.191 7.887 934 HB VAL 122 HB VAL 122 -0.653 10.118 6.609 935 1HG1 VAL 122 1HG1 VAL 122 0.462 11.110 8.522 936 2HG1 VAL 122 2HG1 VAL 122 2.031 10.606 7.894 937 3HG1 VAL 122 3HG1 VAL 122 1.078 11.809 7.025 938 1HG2 VAL 122 1HG2 VAL 122 0.552 8.832 4.938 939 2HG2 VAL 122 2HG2 VAL 122 1.128 10.499 4.960 940 3HG2 VAL 122 3HG2 VAL 122 2.086 9.224 5.715 941 H GLY 123 H GLY 123 1.220 8.553 10.001 942 1HA GLY 123 1HA GLY 123 -1.336 8.442 11.354 943 2HA GLY 123 2HA GLY 123 0.245 8.464 12.106 944 H GLY 124 H GLY 124 -1.927 10.528 10.264 945 1HA GLY 124 1HA GLY 124 -0.834 12.954 11.340 946 2HA GLY 124 2HA GLY 124 -2.296 12.807 10.375 947 H LEU 125 H LEU 125 -1.406 14.029 13.124 948 HA LEU 125 HA LEU 125 -3.217 12.761 14.958 949 1HB LEU 125 1HB LEU 125 -1.650 15.329 15.199 950 2HB LEU 125 2HB LEU 125 -2.570 14.589 16.496 951 HG LEU 125 HG LEU 125 -0.151 13.394 15.137 952 1HD1 LEU 125 1HD1 LEU 125 0.923 13.715 17.315 953 2HD1 LEU 125 2HD1 LEU 125 0.413 15.246 16.603 954 3HD1 LEU 125 3HD1 LEU 125 -0.530 14.523 17.907 955 1HD2 LEU 125 1HD2 LEU 125 -1.737 11.667 15.805 956 2HD2 LEU 125 2HD2 LEU 125 -0.310 11.644 16.842 957 3HD2 LEU 125 3HD2 LEU 125 -1.816 12.351 17.428 958 H GLU 126 H GLU 126 -5.259 12.919 14.266 959 HA GLU 126 HA GLU 126 -6.433 15.319 13.270 960 1HB GLU 126 1HB GLU 126 -7.284 13.155 12.572 961 2HB GLU 126 2HB GLU 126 -7.655 12.726 14.235 962 1HG GLU 126 1HG GLU 126 -9.671 13.315 13.069 963 2HG GLU 126 2HG GLU 126 -9.328 14.518 14.310 964 H HIS 127 H HIS 127 -7.846 16.705 14.254 965 HA HIS 127 HA HIS 127 -8.646 18.046 15.882 966 1HB HIS 127 1HB HIS 127 -8.721 15.520 17.547 967 2HB HIS 127 2HB HIS 127 -9.513 17.037 17.959 968 HD1 HIS 127 HD1 HIS 127 -11.213 17.854 15.832 969 HD2 HIS 127 HD2 HIS 127 -10.427 13.804 16.380 970 HE1 HIS 127 HE1 HIS 127 -13.048 16.631 14.619 971 HE2 HIS 127 HE2 HIS 127 -12.414 14.196 14.767 972 H HIS 128 H HIS 128 -6.469 18.938 15.745 973 HA HIS 128 HA HIS 128 -4.806 18.447 18.088 974 1HB HIS 128 1HB HIS 128 -3.329 20.247 16.896 975 2HB HIS 128 2HB HIS 128 -3.370 18.599 16.288 976 HD1 HIS 128 HD1 HIS 128 -4.465 22.096 15.438 977 HD2 HIS 128 HD2 HIS 128 -4.469 18.289 13.753 978 HE1 HIS 128 HE1 HIS 128 -5.044 22.422 13.014 979 HE2 HIS 128 HE2 HIS 128 -4.829 20.134 11.979 980 H HIS 129 H HIS 129 -3.936 20.356 19.268 981 HA HIS 129 HA HIS 129 -6.264 21.775 20.231 982 1HB HIS 129 1HB HIS 129 -3.424 21.974 21.247 983 2HB HIS 129 2HB HIS 129 -4.888 22.452 22.095 984 HD1 HIS 129 HD1 HIS 129 -6.325 20.547 23.156 985 HD2 HIS 129 HD2 HIS 129 -2.804 19.270 21.339 986 HE1 HIS 129 HE1 HIS 129 -5.953 18.192 23.960 987 HE2 HIS 129 HE2 HIS 129 -3.718 17.521 23.006 988 H HIS 130 H HIS 130 -6.696 23.901 20.058 989 HA HIS 130 HA HIS 130 -5.079 25.492 18.254 990 1HB HIS 130 1HB HIS 130 -7.619 26.120 19.774 991 2HB HIS 130 2HB HIS 130 -6.816 27.260 18.696 992 HD1 HIS 130 HD1 HIS 130 -9.642 25.336 18.586 993 HD2 HIS 130 HD2 HIS 130 -6.334 25.537 16.069 994 HE1 HIS 130 HE1 HIS 130 -10.410 24.405 16.370 995 HE2 HIS 130 HE2 HIS 130 -8.354 24.428 14.897 996 H HIS 131 H HIS 131 -5.314 24.924 21.586 997 HA HIS 131 HA HIS 131 -3.358 27.075 22.049 998 1HB HIS 131 1HB HIS 131 -5.449 27.204 23.451 999 2HB HIS 131 2HB HIS 131 -5.017 25.646 24.144 1000 HD1 HIS 131 HD1 HIS 131 -3.004 25.595 25.800 1001 HD2 HIS 131 HD2 HIS 131 -4.000 29.387 24.403 1002 HE1 HIS 131 HE1 HIS 131 -1.795 27.212 27.298 1003 HE2 HIS 131 HE2 HIS 131 -2.420 29.501 26.451 1004 H HIS 132 H HIS 132 -1.474 26.064 21.586 1005 HA HIS 132 HA HIS 132 -1.070 23.279 22.075 1006 1HB HIS 132 1HB HIS 132 0.009 24.681 20.233 1007 2HB HIS 132 2HB HIS 132 1.093 25.297 21.476 1008 HD1 HIS 132 HD1 HIS 132 2.898 23.675 22.390 1009 HD2 HIS 132 HD2 HIS 132 0.469 22.042 19.434 1010 HE1 HIS 132 HE1 HIS 132 4.034 21.548 21.674 1011 HE2 HIS 132 HE2 HIS 132 2.658 20.696 19.742 Start of MODEL 20 1 1H MET 1 1HT MET 1 -6.074 16.803 -33.178 2 2H MET 1 2HT MET 1 -4.581 16.655 -32.384 3 3H MET 1 3HT MET 1 -4.694 17.561 -33.815 4 HA MET 1 HA MET 1 -6.198 19.117 -32.686 5 1HB MET 1 1HB MET 1 -5.371 17.509 -30.256 6 2HB MET 1 2HB MET 1 -6.238 19.036 -30.206 7 1HG MET 1 1HG MET 1 -8.123 18.017 -31.359 8 2HG MET 1 2HG MET 1 -7.251 16.487 -31.444 9 1HE MET 1 1HE MET 1 -6.620 15.022 -29.324 10 2HE MET 1 2HE MET 1 -6.989 15.491 -27.664 11 3HE MET 1 3HE MET 1 -5.809 16.409 -28.599 12 HA PRO 2 HA PRO 2 -2.330 21.284 -32.193 13 1HB PRO 2 1HB PRO 2 -3.796 23.550 -31.102 14 2HB PRO 2 2HB PRO 2 -2.990 23.402 -32.666 15 1HG PRO 2 1HG PRO 2 -5.689 23.537 -32.402 16 2HG PRO 2 2HG PRO 2 -4.888 22.663 -33.722 17 1HD PRO 2 1HD PRO 2 -6.088 21.593 -31.190 18 2HD PRO 2 2HD PRO 2 -6.178 20.944 -32.844 19 H LEU 3 H LEU 3 -1.743 19.852 -30.424 20 HA LEU 3 HA LEU 3 -2.500 20.606 -27.738 21 1HB LEU 3 1HB LEU 3 -2.282 18.238 -28.440 22 2HB LEU 3 2HB LEU 3 -0.566 18.493 -28.692 23 HG LEU 3 HG LEU 3 -0.320 19.008 -26.278 24 1HD1 LEU 3 1HD1 LEU 3 -3.205 18.148 -26.127 25 2HD1 LEU 3 2HD1 LEU 3 -2.145 18.467 -24.754 26 3HD1 LEU 3 3HD1 LEU 3 -2.594 19.779 -25.845 27 1HD2 LEU 3 1HD2 LEU 3 -1.567 16.341 -26.934 28 2HD2 LEU 3 2HD2 LEU 3 0.135 16.770 -27.100 29 3HD2 LEU 3 3HD2 LEU 3 -0.604 16.697 -25.499 30 H ASN 4 H ASN 4 -1.571 22.438 -27.047 31 HA ASN 4 HA ASN 4 1.211 23.006 -27.597 32 1HB ASN 4 1HB ASN 4 0.844 25.079 -26.347 33 2HB ASN 4 2HB ASN 4 -0.413 24.851 -27.555 34 1HD2 ASN 4 2HD2 ASN 4 -0.381 26.440 -25.105 35 2HD2 ASN 4 1HD2 ASN 4 -1.743 25.905 -24.176 36 H GLN 5 H GLN 5 -0.769 21.874 -24.949 37 HA GLN 5 HA GLN 5 1.436 21.756 -23.092 38 1HB GLN 5 1HB GLN 5 -0.850 22.090 -22.270 39 2HB GLN 5 2HB GLN 5 -1.342 20.554 -22.969 40 1HG GLN 5 1HG GLN 5 0.150 19.374 -21.446 41 2HG GLN 5 2HG GLN 5 0.665 20.911 -20.753 42 1HE2 GLN 5 2HE2 GLN 5 -0.051 20.240 -18.705 43 2HE2 GLN 5 1HE2 GLN 5 -1.731 20.208 -18.294 44 H GLU 6 H GLU 6 2.952 20.570 -24.254 45 HA GLU 6 HA GLU 6 2.519 18.210 -25.647 46 1HB GLU 6 1HB GLU 6 5.032 19.133 -24.244 47 2HB GLU 6 2HB GLU 6 4.960 17.872 -25.470 48 1HG GLU 6 1HG GLU 6 4.174 19.484 -27.110 49 2HG GLU 6 2HG GLU 6 4.178 20.751 -25.888 50 H HIS 7 H HIS 7 3.658 18.592 -22.286 51 HA HIS 7 HA HIS 7 2.718 15.840 -21.829 52 1HB HIS 7 1HB HIS 7 4.296 15.572 -20.064 53 2HB HIS 7 2HB HIS 7 5.185 16.249 -21.420 54 HD1 HIS 7 HD1 HIS 7 6.230 18.572 -21.110 55 HD2 HIS 7 HD2 HIS 7 4.022 17.272 -17.830 56 HE1 HIS 7 HE1 HIS 7 6.810 20.140 -19.229 57 HE2 HIS 7 HE2 HIS 7 5.618 19.215 -17.210 58 HA PRO 8 HA PRO 8 -0.535 17.663 -19.531 59 1HB PRO 8 1HB PRO 8 -0.695 15.193 -17.951 60 2HB PRO 8 2HB PRO 8 -1.871 15.886 -19.069 61 1HG PRO 8 1HG PRO 8 -0.472 13.660 -19.660 62 2HG PRO 8 2HG PRO 8 -0.948 14.835 -20.900 63 1HD PRO 8 1HD PRO 8 1.706 14.448 -19.572 64 2HD PRO 8 2HD PRO 8 1.338 14.807 -21.273 65 H ASP 9 H ASP 9 0.728 15.454 -17.084 66 HA ASP 9 HA ASP 9 1.492 17.774 -15.455 67 1HB ASP 9 1HB ASP 9 -0.186 15.437 -14.511 68 2HB ASP 9 2HB ASP 9 0.455 16.705 -13.474 69 H TYR 10 H TYR 10 3.614 17.527 -15.185 70 HA TYR 10 HA TYR 10 4.550 14.864 -14.359 71 1HB TYR 10 1HB TYR 10 5.385 15.749 -16.625 72 2HB TYR 10 2HB TYR 10 6.324 16.907 -15.688 73 HD1 TYR 10 HD1 TYR 10 8.370 16.259 -14.658 74 HD2 TYR 10 HD2 TYR 10 5.795 13.298 -16.302 75 HE1 TYR 10 HE1 TYR 10 10.140 14.571 -14.385 76 HE2 TYR 10 HE2 TYR 10 7.558 11.607 -16.037 77 HH TYR 10 HH TYR 10 10.376 12.152 -14.190 78 H THR 11 H THR 11 4.161 15.349 -12.217 79 HA THR 11 HA THR 11 6.268 16.877 -10.952 80 HB THR 11 HB THR 11 4.664 18.626 -11.063 81 HG1 THR 11 HG1 THR 11 5.306 18.812 -9.029 82 1HG2 THR 11 1HG2 THR 11 2.702 17.300 -11.686 83 2HG2 THR 11 2HG2 THR 11 2.587 16.689 -10.037 84 3HG2 THR 11 3HG2 THR 11 2.332 18.403 -10.362 85 H TYR 12 H TYR 12 7.119 15.530 -9.546 86 HA TYR 12 HA TYR 12 5.383 13.860 -7.886 87 1HB TYR 12 1HB TYR 12 7.678 12.755 -9.527 88 2HB TYR 12 2HB TYR 12 6.781 11.860 -8.308 89 HD1 TYR 12 HD1 TYR 12 4.353 11.348 -8.714 90 HD2 TYR 12 HD2 TYR 12 6.876 12.954 -11.742 91 HE1 TYR 12 HE1 TYR 12 2.747 10.623 -10.430 92 HE2 TYR 12 HE2 TYR 12 5.278 12.235 -13.465 93 HH TYR 12 HH TYR 12 2.124 11.193 -12.731 94 H ALA 13 H ALA 13 5.964 14.620 -5.922 95 HA ALA 13 HA ALA 13 8.770 15.122 -5.352 96 1HB ALA 13 1HB ALA 13 8.030 15.869 -3.159 97 2HB ALA 13 2HB ALA 13 7.095 16.652 -4.434 98 3HB ALA 13 3HB ALA 13 6.390 15.324 -3.512 99 H LEU 14 H LEU 14 6.854 13.757 -2.823 100 HA LEU 14 HA LEU 14 6.825 11.792 -1.704 101 1HB LEU 14 1HB LEU 14 6.270 10.828 -3.903 102 2HB LEU 14 2HB LEU 14 7.977 10.620 -4.236 103 HG LEU 14 HG LEU 14 8.120 9.052 -2.305 104 1HD1 LEU 14 1HD1 LEU 14 5.118 9.343 -2.282 105 2HD1 LEU 14 2HD1 LEU 14 6.047 8.158 -1.365 106 3HD1 LEU 14 3HD1 LEU 14 6.227 9.878 -1.019 107 1HD2 LEU 14 1HD2 LEU 14 6.999 7.194 -3.430 108 2HD2 LEU 14 2HD2 LEU 14 6.099 8.337 -4.427 109 3HD2 LEU 14 3HD2 LEU 14 7.852 8.222 -4.582 110 H ARG 15 H ARG 15 9.686 13.106 -2.900 111 HA ARG 15 HA ARG 15 11.527 11.205 -1.795 112 1HB ARG 15 1HB ARG 15 11.805 13.897 -3.101 113 2HB ARG 15 2HB ARG 15 13.188 13.079 -2.388 114 1HG ARG 15 1HG ARG 15 13.122 11.349 -3.941 115 2HG ARG 15 2HG ARG 15 11.455 11.698 -4.397 116 1HD ARG 15 1HD ARG 15 13.631 13.700 -4.878 117 2HD ARG 15 2HD ARG 15 13.364 12.369 -6.005 118 HE ARG 15 HE ARG 15 10.963 13.278 -6.032 119 1HH1 ARG 15 1HH1 ARG 15 13.798 15.282 -5.606 120 2HH1 ARG 15 2HH1 ARG 15 13.113 16.648 -6.425 121 1HH2 ARG 15 1HH2 ARG 15 10.053 15.073 -7.127 122 2HH2 ARG 15 2HH2 ARG 15 10.983 16.539 -7.282 123 H ALA 16 H ALA 16 9.637 13.558 -0.409 124 HA ALA 16 HA ALA 16 11.434 13.660 1.918 125 1HB ALA 16 1HB ALA 16 10.639 15.925 2.409 126 2HB ALA 16 2HB ALA 16 11.441 15.856 0.839 127 3HB ALA 16 3HB ALA 16 9.681 15.911 0.929 128 H ALA 17 H ALA 17 10.455 12.224 3.251 129 HA ALA 17 HA ALA 17 7.723 12.765 4.052 130 1HB ALA 17 1HB ALA 17 7.445 11.281 2.122 131 2HB ALA 17 2HB ALA 17 8.471 10.076 2.903 132 3HB ALA 17 3HB ALA 17 6.918 10.513 3.620 133 H ASP 18 H ASP 18 7.151 11.892 5.998 134 HA ASP 18 HA ASP 18 9.274 10.587 7.571 135 1HB ASP 18 1HB ASP 18 6.721 11.912 8.548 136 2HB ASP 18 2HB ASP 18 8.003 11.264 9.557 137 H GLY 19 H GLY 19 7.780 9.323 9.475 138 1HA GLY 19 1HA GLY 19 6.076 7.467 7.992 139 2HA GLY 19 2HA GLY 19 6.552 7.327 9.685 140 H ARG 20 H ARG 20 5.926 10.168 10.112 141 HA ARG 20 HA ARG 20 3.064 9.853 10.564 142 1HB ARG 20 1HB ARG 20 3.436 11.970 11.954 143 2HB ARG 20 2HB ARG 20 4.181 10.483 12.524 144 1HG ARG 20 1HG ARG 20 6.283 11.242 11.337 145 2HG ARG 20 2HG ARG 20 5.493 12.810 11.159 146 1HD ARG 20 1HD ARG 20 5.447 13.181 13.461 147 2HD ARG 20 2HD ARG 20 5.712 11.477 13.833 148 HE ARG 20 HE ARG 20 7.789 13.219 12.650 149 1HH1 ARG 20 1HH1 ARG 20 6.764 10.741 14.894 150 2HH1 ARG 20 2HH1 ARG 20 8.368 10.406 15.469 151 1HH2 ARG 20 1HH2 ARG 20 9.907 12.775 13.401 152 2HH2 ARG 20 2HH2 ARG 20 10.149 11.558 14.611 153 H HIS 21 H HIS 21 5.093 11.359 8.318 154 HA HIS 21 HA HIS 21 2.826 12.965 7.352 155 1HB HIS 21 1HB HIS 21 5.673 13.960 7.198 156 2HB HIS 21 2HB HIS 21 4.215 14.827 6.750 157 HD1 HIS 21 HD1 HIS 21 6.659 14.782 9.260 158 HD2 HIS 21 HD2 HIS 21 2.516 15.178 9.282 159 HE1 HIS 21 HE1 HIS 21 6.091 15.875 11.458 160 HE2 HIS 21 HE2 HIS 21 3.614 16.324 11.329 161 H ALA 22 H ALA 22 2.445 12.648 5.225 162 HA ALA 22 HA ALA 22 4.671 11.609 3.592 163 1HB ALA 22 1HB ALA 22 1.713 11.135 3.211 164 2HB ALA 22 2HB ALA 22 2.995 10.544 2.154 165 3HB ALA 22 3HB ALA 22 2.881 9.959 3.815 166 H LYS 23 H LYS 23 5.422 13.119 2.246 167 HA LYS 23 HA LYS 23 3.667 15.371 1.602 168 1HB LYS 23 1HB LYS 23 6.667 15.085 1.518 169 2HB LYS 23 2HB LYS 23 5.814 16.504 0.926 170 1HG LYS 23 1HG LYS 23 4.883 16.870 3.160 171 2HG LYS 23 2HG LYS 23 5.743 15.447 3.747 172 1HD LYS 23 1HD LYS 23 7.879 16.528 3.149 173 2HD LYS 23 2HD LYS 23 6.987 17.966 2.643 174 1HE LYS 23 1HE LYS 23 6.097 18.204 4.911 175 2HE LYS 23 2HE LYS 23 6.988 16.770 5.411 176 1HZ LYS 23 1HZ LYS 23 8.217 18.665 6.073 177 2HZ LYS 23 2HZ LYS 23 9.049 17.972 4.771 178 3HZ LYS 23 3HZ LYS 23 8.118 19.370 4.530 179 H VAL 24 H VAL 24 2.485 14.539 -0.060 180 HA VAL 24 HA VAL 24 3.891 13.572 -2.424 181 HB VAL 24 HB VAL 24 0.911 13.889 -1.988 182 1HG1 VAL 24 1HG1 VAL 24 1.529 13.859 -4.337 183 2HG1 VAL 24 2HG1 VAL 24 2.467 12.386 -4.092 184 3HG1 VAL 24 3HG1 VAL 24 0.714 12.359 -3.899 185 1HG2 VAL 24 1HG2 VAL 24 1.856 12.302 -0.395 186 2HG2 VAL 24 2HG2 VAL 24 0.882 11.469 -1.607 187 3HG2 VAL 24 3HG2 VAL 24 2.643 11.433 -1.712 188 H ASN 25 H ASN 25 4.886 15.338 -3.227 189 HA ASN 25 HA ASN 25 5.175 17.140 -4.555 190 1HB ASN 25 1HB ASN 25 2.168 16.996 -4.850 191 2HB ASN 25 2HB ASN 25 3.190 18.123 -5.738 192 1HD2 ASN 25 2HD2 ASN 25 2.405 17.141 -7.656 193 2HD2 ASN 25 1HD2 ASN 25 3.074 15.647 -8.217 194 H GLU 26 H GLU 26 2.056 18.262 -3.379 195 HA GLU 26 HA GLU 26 3.462 20.062 -1.521 196 1HB GLU 26 1HB GLU 26 2.672 21.312 -3.477 197 2HB GLU 26 2HB GLU 26 1.044 20.703 -3.218 198 1HG GLU 26 1HG GLU 26 1.050 21.846 -1.003 199 2HG GLU 26 2HG GLU 26 2.593 22.576 -1.448 200 H GLN 27 H GLN 27 1.055 17.715 -1.996 201 HA GLN 27 HA GLN 27 -0.636 18.596 0.178 202 1HB GLN 27 1HB GLN 27 -0.766 16.134 -1.573 203 2HB GLN 27 2HB GLN 27 -1.964 16.566 -0.361 204 1HG GLN 27 1HG GLN 27 -2.465 18.617 -1.573 205 2HG GLN 27 2HG GLN 27 -1.249 18.209 -2.779 206 1HE2 GLN 27 2HE2 GLN 27 -3.374 15.834 -1.333 207 2HE2 GLN 27 1HE2 GLN 27 -4.321 15.532 -2.752 208 H ILE 28 H ILE 28 0.452 18.423 2.057 209 HA ILE 28 HA ILE 28 1.874 16.071 2.833 210 HB ILE 28 HB ILE 28 0.728 18.242 4.609 211 1HG1 ILE 28 1HG1 ILE 28 3.503 17.944 3.431 212 2HG1 ILE 28 2HG1 ILE 28 2.305 19.133 2.933 213 1HG2 ILE 28 1HG2 ILE 28 2.370 17.464 6.250 214 2HG2 ILE 28 2HG2 ILE 28 1.244 16.180 5.814 215 3HG2 ILE 28 3HG2 ILE 28 2.875 16.187 5.143 216 1HD1 ILE 28 1HD1 ILE 28 3.600 18.957 5.645 217 2HD1 ILE 28 2HD1 ILE 28 3.978 20.127 4.380 218 3HD1 ILE 28 3HD1 ILE 28 2.393 20.146 5.155 219 H LEU 29 H LEU 29 0.717 14.262 2.753 220 HA LEU 29 HA LEU 29 -2.010 14.224 3.763 221 1HB LEU 29 1HB LEU 29 -0.377 12.067 2.421 222 2HB LEU 29 2HB LEU 29 -2.078 11.949 2.831 223 HG LEU 29 HG LEU 29 -0.899 13.911 0.859 224 1HD1 LEU 29 1HD1 LEU 29 -0.795 11.638 0.018 225 2HD1 LEU 29 2HD1 LEU 29 -2.496 11.395 0.411 226 3HD1 LEU 29 3HD1 LEU 29 -2.036 12.556 -0.835 227 1HD2 LEU 29 1HD2 LEU 29 -2.889 14.782 1.960 228 2HD2 LEU 29 2HD2 LEU 29 -3.228 14.380 0.277 229 3HD2 LEU 29 3HD2 LEU 29 -3.768 13.305 1.567 230 H GLN 30 H GLN 30 -2.456 13.677 5.753 231 HA GLN 30 HA GLN 30 -0.685 11.789 7.137 232 1HB GLN 30 1HB GLN 30 -1.185 13.071 9.255 233 2HB GLN 30 2HB GLN 30 -0.135 13.882 8.104 234 1HG GLN 30 1HG GLN 30 -2.215 15.088 7.289 235 2HG GLN 30 2HG GLN 30 -3.005 14.464 8.737 236 1HE2 GLN 30 2HE2 GLN 30 -3.304 16.498 9.605 237 2HE2 GLN 30 1HE2 GLN 30 -2.001 17.442 10.242 238 H GLN 31 H GLN 31 -2.910 11.145 5.678 239 HA GLN 31 HA GLN 31 -4.655 10.075 7.789 240 1HB GLN 31 1HB GLN 31 -5.425 10.881 4.971 241 2HB GLN 31 2HB GLN 31 -6.476 10.000 6.070 242 1HG GLN 31 1HG GLN 31 -6.638 11.845 7.543 243 2HG GLN 31 2HG GLN 31 -5.331 12.699 6.726 244 1HE2 GLN 31 2HE2 GLN 31 -6.629 14.501 6.410 245 2HE2 GLN 31 1HE2 GLN 31 -7.893 14.538 5.234 246 H SER 32 H SER 32 -5.024 9.181 4.476 247 HA SER 32 HA SER 32 -3.052 7.141 4.335 248 1HB SER 32 1HB SER 32 -5.932 6.293 4.780 249 2HB SER 32 2HB SER 32 -4.697 5.232 4.106 250 HG SER 32 HG SER 32 -4.183 6.533 6.533 251 H PHE 33 H PHE 33 -2.790 6.499 2.188 252 HA PHE 33 HA PHE 33 -4.866 7.227 0.287 253 1HB PHE 33 1HB PHE 33 -3.372 8.548 -1.124 254 2HB PHE 33 2HB PHE 33 -3.541 9.276 0.465 255 HD1 PHE 33 HD1 PHE 33 -1.669 9.119 2.093 256 HD2 PHE 33 HD2 PHE 33 -1.278 7.847 -1.951 257 HE1 PHE 33 HE1 PHE 33 0.778 9.233 2.298 258 HE2 PHE 33 HE2 PHE 33 1.171 7.952 -1.751 259 HZ PHE 33 HZ PHE 33 2.203 8.647 0.375 260 H ILE 34 H ILE 34 -4.480 6.418 -1.863 261 HA ILE 34 HA ILE 34 -2.773 4.011 -1.842 262 HB ILE 34 HB ILE 34 -5.268 4.469 -3.493 263 1HG1 ILE 34 1HG1 ILE 34 -4.923 2.712 -1.051 264 2HG1 ILE 34 2HG1 ILE 34 -5.730 4.278 -1.045 265 1HG2 ILE 34 1HG2 ILE 34 -3.603 1.992 -3.050 266 2HG2 ILE 34 2HG2 ILE 34 -5.093 2.077 -3.988 267 3HG2 ILE 34 3HG2 ILE 34 -3.662 2.956 -4.524 268 1HD1 ILE 34 1HD1 ILE 34 -7.335 2.460 -1.117 269 2HD1 ILE 34 2HD1 ILE 34 -7.406 3.416 -2.597 270 3HD1 ILE 34 3HD1 ILE 34 -6.597 1.850 -2.598 271 H LEU 35 H LEU 35 -0.988 4.400 -2.988 272 HA LEU 35 HA LEU 35 -1.185 6.143 -5.351 273 1HB LEU 35 1HB LEU 35 0.408 6.892 -3.668 274 2HB LEU 35 2HB LEU 35 1.209 5.332 -3.696 275 HG LEU 35 HG LEU 35 1.914 5.744 -6.024 276 1HD1 LEU 35 1HD1 LEU 35 1.655 7.960 -7.006 277 2HD1 LEU 35 2HD1 LEU 35 0.087 7.212 -6.706 278 3HD1 LEU 35 3HD1 LEU 35 0.687 8.469 -5.623 279 1HD2 LEU 35 1HD2 LEU 35 3.391 6.336 -4.176 280 2HD2 LEU 35 2HD2 LEU 35 3.578 7.458 -5.524 281 3HD2 LEU 35 3HD2 LEU 35 2.660 7.938 -4.096 282 H MET 36 H MET 36 -1.201 5.196 -7.262 283 HA MET 36 HA MET 36 0.406 2.763 -7.639 284 1HB MET 36 1HB MET 36 -2.400 3.241 -8.670 285 2HB MET 36 2HB MET 36 -1.361 1.930 -9.209 286 1HG MET 36 1HG MET 36 -1.288 1.081 -6.893 287 2HG MET 36 2HG MET 36 -2.412 2.355 -6.421 288 1HE MET 36 1HE MET 36 -2.376 0.264 -9.766 289 2HE MET 36 2HE MET 36 -3.461 -1.063 -9.344 290 3HE MET 36 3HE MET 36 -1.902 -0.909 -8.536 291 HA PRO 37 HA PRO 37 1.936 4.852 -11.253 292 1HB PRO 37 1HB PRO 37 1.860 2.359 -12.798 293 2HB PRO 37 2HB PRO 37 3.254 3.297 -12.256 294 1HG PRO 37 1HG PRO 37 2.651 0.898 -11.193 295 2HG PRO 37 2HG PRO 37 3.372 2.202 -10.231 296 1HD PRO 37 1HD PRO 37 0.511 1.318 -10.381 297 2HD PRO 37 2HD PRO 37 1.478 1.761 -8.956 298 H ASP 38 H ASP 38 -1.089 4.250 -10.967 299 HA ASP 38 HA ASP 38 -1.784 4.733 -13.788 300 1HB ASP 38 1HB ASP 38 -2.621 2.546 -12.829 301 2HB ASP 38 2HB ASP 38 -3.590 3.488 -11.702 302 H GLU 39 H GLU 39 -3.340 5.085 -10.599 303 HA GLU 39 HA GLU 39 -3.384 7.981 -10.958 304 1HB GLU 39 1HB GLU 39 -5.809 6.274 -10.422 305 2HB GLU 39 2HB GLU 39 -5.759 7.986 -10.032 306 1HG GLU 39 1HG GLU 39 -5.244 8.438 -12.429 307 2HG GLU 39 2HG GLU 39 -5.526 6.726 -12.750 308 H LEU 40 H LEU 40 -4.640 8.813 -8.782 309 HA LEU 40 HA LEU 40 -3.312 7.484 -6.524 310 1HB LEU 40 1HB LEU 40 -1.908 9.339 -7.114 311 2HB LEU 40 2HB LEU 40 -3.284 10.419 -7.224 312 HG LEU 40 HG LEU 40 -3.621 10.195 -4.776 313 1HD1 LEU 40 1HD1 LEU 40 -1.848 9.214 -3.413 314 2HD1 LEU 40 2HD1 LEU 40 -2.605 8.007 -4.451 315 3HD1 LEU 40 3HD1 LEU 40 -1.023 8.667 -4.872 316 1HD2 LEU 40 1HD2 LEU 40 -1.693 11.557 -4.129 317 2HD2 LEU 40 2HD2 LEU 40 -0.883 11.119 -5.634 318 3HD2 LEU 40 3HD2 LEU 40 -2.368 12.069 -5.675 319 H VAL 41 H VAL 41 -4.779 6.913 -5.085 320 HA VAL 41 HA VAL 41 -7.285 8.389 -4.825 321 HB VAL 41 HB VAL 41 -6.333 5.949 -3.303 322 1HG1 VAL 41 1HG1 VAL 41 -9.074 7.191 -3.531 323 2HG1 VAL 41 2HG1 VAL 41 -8.697 5.681 -2.701 324 3HG1 VAL 41 3HG1 VAL 41 -8.038 7.204 -2.102 325 1HG2 VAL 41 1HG2 VAL 41 -7.836 4.676 -4.771 326 2HG2 VAL 41 2HG2 VAL 41 -8.159 6.140 -5.699 327 3HG2 VAL 41 3HG2 VAL 41 -6.535 5.451 -5.673 328 H GLU 42 H GLU 42 -7.231 10.161 -3.607 329 HA GLU 42 HA GLU 42 -4.996 10.796 -1.985 330 1HB GLU 42 1HB GLU 42 -7.671 12.174 -2.220 331 2HB GLU 42 2HB GLU 42 -6.242 12.856 -1.460 332 1HG GLU 42 1HG GLU 42 -5.069 12.829 -3.579 333 2HG GLU 42 2HG GLU 42 -6.462 12.074 -4.357 334 H HIS 43 H HIS 43 -8.306 9.780 -1.186 335 HA HIS 43 HA HIS 43 -7.484 9.763 1.646 336 1HB HIS 43 1HB HIS 43 -10.243 10.419 0.594 337 2HB HIS 43 2HB HIS 43 -9.755 10.393 2.286 338 HD1 HIS 43 HD1 HIS 43 -8.293 12.385 3.130 339 HD2 HIS 43 HD2 HIS 43 -9.532 12.700 -0.828 340 HE1 HIS 43 HE1 HIS 43 -7.815 14.761 2.454 341 HE2 HIS 43 HE2 HIS 43 -8.395 14.869 0.002 342 H TRP 44 H TRP 44 -7.118 7.681 2.011 343 HA TRP 44 HA TRP 44 -9.238 5.746 1.371 344 1HB TRP 44 1HB TRP 44 -6.841 5.284 0.695 345 2HB TRP 44 2HB TRP 44 -6.445 5.201 2.406 346 HD1 TRP 44 HD1 TRP 44 -9.583 3.579 0.832 347 HE1 TRP 44 HE1 TRP 44 -9.414 1.027 1.161 348 HE3 TRP 44 HE3 TRP 44 -4.890 3.333 2.847 349 HZ2 TRP 44 HZ2 TRP 44 -7.533 -0.834 2.140 350 HZ3 TRP 44 HZ3 TRP 44 -3.979 1.131 3.449 351 HH2 TRP 44 HH2 TRP 44 -5.273 -0.910 3.104 352 HA PRO 45 HA PRO 45 -10.389 6.585 5.597 353 1HB PRO 45 1HB PRO 45 -12.528 4.638 5.209 354 2HB PRO 45 2HB PRO 45 -12.634 6.385 5.441 355 1HG PRO 45 1HG PRO 45 -13.210 5.193 3.082 356 2HG PRO 45 2HG PRO 45 -12.524 6.825 3.188 357 1HD PRO 45 1HD PRO 45 -11.153 4.227 2.584 358 2HD PRO 45 2HD PRO 45 -10.941 5.816 1.818 359 H VAL 46 H VAL 46 -8.312 5.204 5.998 360 HA VAL 46 HA VAL 46 -9.205 3.014 7.746 361 HB VAL 46 HB VAL 46 -6.671 2.960 6.085 362 1HG1 VAL 46 1HG1 VAL 46 -6.362 0.710 7.004 363 2HG1 VAL 46 2HG1 VAL 46 -6.351 1.938 8.270 364 3HG1 VAL 46 3HG1 VAL 46 -7.781 0.935 8.025 365 1HG2 VAL 46 1HG2 VAL 46 -7.690 1.008 4.984 366 2HG2 VAL 46 2HG2 VAL 46 -9.175 1.291 5.892 367 3HG2 VAL 46 3HG2 VAL 46 -8.618 2.485 4.720 368 HA PRO 47 HA PRO 47 -6.914 5.933 10.389 369 1HB PRO 47 1HB PRO 47 -8.095 5.102 12.698 370 2HB PRO 47 2HB PRO 47 -8.817 6.299 11.618 371 1HG PRO 47 1HG PRO 47 -9.415 3.386 11.891 372 2HG PRO 47 2HG PRO 47 -10.530 4.741 11.647 373 1HD PRO 47 1HD PRO 47 -9.748 3.078 9.641 374 2HD PRO 47 2HD PRO 47 -10.187 4.778 9.377 375 H SER 48 H SER 48 -4.965 4.892 10.049 376 HA SER 48 HA SER 48 -3.161 3.597 10.399 377 1HB SER 48 1HB SER 48 -2.609 2.954 12.678 378 2HB SER 48 2HB SER 48 -3.300 4.572 12.666 379 HG SER 48 HG SER 48 -5.365 3.198 13.058 380 H LEU 49 H LEU 49 -2.506 1.260 11.447 381 HA LEU 49 HA LEU 49 -4.188 -0.562 9.957 382 1HB LEU 49 1HB LEU 49 -1.704 -0.636 9.851 383 2HB LEU 49 2HB LEU 49 -1.677 -1.132 11.532 384 HG LEU 49 HG LEU 49 -2.763 -3.223 10.997 385 1HD1 LEU 49 1HD1 LEU 49 -2.862 -2.223 8.155 386 2HD1 LEU 49 2HD1 LEU 49 -3.346 -3.825 8.712 387 3HD1 LEU 49 3HD1 LEU 49 -4.246 -2.400 9.235 388 1HD2 LEU 49 1HD2 LEU 49 -1.065 -4.231 9.569 389 2HD2 LEU 49 2HD2 LEU 49 -0.545 -2.628 9.046 390 3HD2 LEU 49 3HD2 LEU 49 -0.341 -3.117 10.728 391 H GLY 50 H GLY 50 -5.590 0.480 12.027 392 1HA GLY 50 1HA GLY 50 -5.825 -1.815 13.874 393 2HA GLY 50 2HA GLY 50 -6.247 -0.165 14.313 394 H GLN 51 H GLN 51 -7.338 0.012 11.420 395 HA GLN 51 HA GLN 51 -9.859 -1.430 11.899 396 1HB GLN 51 1HB GLN 51 -9.940 1.044 12.491 397 2HB GLN 51 2HB GLN 51 -9.699 1.374 10.782 398 1HG GLN 51 1HG GLN 51 -12.034 1.541 11.319 399 2HG GLN 51 2HG GLN 51 -11.771 0.148 10.273 400 1HE2 GLN 51 2HE2 GLN 51 -13.650 -0.878 10.929 401 2HE2 GLN 51 1HE2 GLN 51 -13.824 -1.578 12.500 402 H LEU 52 H LEU 52 -7.509 -1.983 10.171 403 HA LEU 52 HA LEU 52 -8.490 -1.543 7.492 404 1HB LEU 52 1HB LEU 52 -6.073 -1.589 7.875 405 2HB LEU 52 2HB LEU 52 -6.186 -3.242 8.452 406 HG LEU 52 HG LEU 52 -6.915 -3.988 6.234 407 1HD1 LEU 52 1HD1 LEU 52 -6.856 -2.460 4.329 408 2HD1 LEU 52 2HD1 LEU 52 -8.062 -1.964 5.515 409 3HD1 LEU 52 3HD1 LEU 52 -6.521 -1.112 5.416 410 1HD2 LEU 52 1HD2 LEU 52 -4.544 -4.022 6.714 411 2HD2 LEU 52 2HD2 LEU 52 -4.813 -3.593 5.025 412 3HD2 LEU 52 3HD2 LEU 52 -4.390 -2.343 6.195 413 H GLN 53 H GLN 53 -10.319 -2.550 7.115 414 HA GLN 53 HA GLN 53 -10.565 -5.405 7.744 415 1HB GLN 53 1HB GLN 53 -12.702 -3.430 6.906 416 2HB GLN 53 2HB GLN 53 -12.961 -5.078 7.463 417 1HG GLN 53 1HG GLN 53 -12.478 -4.551 9.663 418 2HG GLN 53 2HG GLN 53 -11.589 -3.092 9.221 419 1HE2 GLN 53 2HE2 GLN 53 -14.733 -4.506 9.681 420 2HE2 GLN 53 1HE2 GLN 53 -15.616 -3.009 9.698 421 HA PRO 54 HA PRO 54 -10.248 -6.603 3.462 422 1HB PRO 54 1HB PRO 54 -12.753 -8.143 3.948 423 2HB PRO 54 2HB PRO 54 -11.210 -8.686 3.279 424 1HG PRO 54 1HG PRO 54 -11.885 -9.313 5.770 425 2HG PRO 54 2HG PRO 54 -10.215 -8.865 5.372 426 1HD PRO 54 1HD PRO 54 -12.343 -7.255 6.721 427 2HD PRO 54 2HD PRO 54 -10.598 -7.320 7.047 428 H ALA 55 H ALA 55 -13.337 -5.519 4.755 429 HA ALA 55 HA ALA 55 -14.617 -4.956 2.311 430 1HB ALA 55 1HB ALA 55 -15.797 -5.076 4.454 431 2HB ALA 55 2HB ALA 55 -14.997 -3.593 4.975 432 3HB ALA 55 3HB ALA 55 -16.119 -3.560 3.614 433 H HIS 56 H HIS 56 -12.402 -3.058 4.309 434 HA HIS 56 HA HIS 56 -12.610 -0.704 2.664 435 1HB HIS 56 1HB HIS 56 -10.720 -1.504 4.874 436 2HB HIS 56 2HB HIS 56 -10.494 -0.026 3.951 437 HD1 HIS 56 HD1 HIS 56 -11.097 -0.144 7.049 438 HD2 HIS 56 HD2 HIS 56 -13.884 0.616 4.057 439 HE1 HIS 56 HE1 HIS 56 -12.945 1.138 8.159 440 HE2 HIS 56 HE2 HIS 56 -14.717 1.383 6.390 441 H MET 57 H MET 57 -10.807 -3.626 2.602 442 HA MET 57 HA MET 57 -8.653 -2.611 0.969 443 1HB MET 57 1HB MET 57 -8.263 -4.444 2.554 444 2HB MET 57 2HB MET 57 -9.424 -5.446 1.697 445 1HG MET 57 1HG MET 57 -7.172 -6.093 1.129 446 2HG MET 57 2HG MET 57 -7.986 -5.421 -0.280 447 1HE MET 57 1HE MET 57 -6.364 -3.547 2.806 448 2HE MET 57 2HE MET 57 -4.752 -3.214 2.169 449 3HE MET 57 3HE MET 57 -5.256 -4.878 2.470 450 H ASP 58 H ASP 58 -11.805 -3.799 0.464 451 HA ASP 58 HA ASP 58 -11.695 -5.117 -1.959 452 1HB ASP 58 1HB ASP 58 -13.756 -4.978 -0.698 453 2HB ASP 58 2HB ASP 58 -13.825 -3.233 -0.929 454 H ALA 59 H ALA 59 -11.665 -1.649 -1.348 455 HA ALA 59 HA ALA 59 -12.005 -0.747 -3.975 456 1HB ALA 59 1HB ALA 59 -12.144 0.717 -2.013 457 2HB ALA 59 2HB ALA 59 -10.408 0.539 -1.761 458 3HB ALA 59 3HB ALA 59 -11.011 1.343 -3.212 459 H VAL 60 H VAL 60 -9.055 -1.555 -2.174 460 HA VAL 60 HA VAL 60 -7.237 -0.832 -4.221 461 HB VAL 60 HB VAL 60 -6.803 -2.895 -2.052 462 1HG1 VAL 60 1HG1 VAL 60 -4.440 -2.288 -2.281 463 2HG1 VAL 60 2HG1 VAL 60 -5.101 -2.923 -3.789 464 3HG1 VAL 60 3HG1 VAL 60 -4.856 -1.187 -3.595 465 1HG2 VAL 60 1HG2 VAL 60 -7.593 -0.814 -1.065 466 2HG2 VAL 60 2HG2 VAL 60 -5.886 -1.066 -0.702 467 3HG2 VAL 60 3HG2 VAL 60 -6.362 0.087 -1.948 468 H LEU 61 H LEU 61 -8.847 -3.845 -3.352 469 HA LEU 61 HA LEU 61 -7.580 -5.516 -5.229 470 1HB LEU 61 1HB LEU 61 -10.370 -5.705 -4.085 471 2HB LEU 61 2HB LEU 61 -9.535 -6.992 -4.935 472 HG LEU 61 HG LEU 61 -8.670 -5.788 -2.304 473 1HD1 LEU 61 1HD1 LEU 61 -10.692 -7.118 -2.078 474 2HD1 LEU 61 2HD1 LEU 61 -9.927 -8.451 -2.944 475 3HD1 LEU 61 3HD1 LEU 61 -9.313 -7.957 -1.367 476 1HD2 LEU 61 1HD2 LEU 61 -6.779 -6.557 -3.642 477 2HD2 LEU 61 2HD2 LEU 61 -7.044 -7.610 -2.252 478 3HD2 LEU 61 3HD2 LEU 61 -7.561 -8.123 -3.858 479 H ALA 62 H ALA 62 -10.359 -3.370 -5.456 480 HA ALA 62 HA ALA 62 -11.267 -4.219 -8.000 481 1HB ALA 62 1HB ALA 62 -12.548 -2.145 -8.031 482 2HB ALA 62 2HB ALA 62 -12.673 -2.939 -6.461 483 3HB ALA 62 3HB ALA 62 -11.619 -1.538 -6.661 484 H LEU 63 H LEU 63 -8.804 -1.960 -6.963 485 HA LEU 63 HA LEU 63 -8.359 -0.763 -9.505 486 1HB LEU 63 1HB LEU 63 -6.931 -0.853 -6.909 487 2HB LEU 63 2HB LEU 63 -5.966 -0.473 -8.319 488 HG LEU 63 HG LEU 63 -6.706 1.558 -7.198 489 1HD1 LEU 63 1HD1 LEU 63 -8.074 1.124 -9.844 490 2HD1 LEU 63 2HD1 LEU 63 -7.722 2.690 -9.112 491 3HD1 LEU 63 3HD1 LEU 63 -6.401 1.627 -9.600 492 1HD2 LEU 63 1HD2 LEU 63 -9.505 0.608 -7.788 493 2HD2 LEU 63 2HD2 LEU 63 -8.761 0.714 -6.192 494 3HD2 LEU 63 3HD2 LEU 63 -9.063 2.181 -7.123 495 H ASN 64 H ASN 64 -7.643 -3.832 -8.262 496 HA ASN 64 HA ASN 64 -6.548 -5.646 -9.065 497 1HB ASN 64 1HB ASN 64 -6.805 -4.028 -11.580 498 2HB ASN 64 2HB ASN 64 -5.888 -5.526 -11.584 499 1HD2 ASN 64 2HD2 ASN 64 -8.737 -5.030 -9.609 500 2HD2 ASN 64 1HD2 ASN 64 -9.753 -6.131 -10.473 501 HA PRO 65 HA PRO 65 -2.344 -3.928 -8.740 502 1HB PRO 65 1HB PRO 65 -1.912 -4.845 -6.170 503 2HB PRO 65 2HB PRO 65 -2.472 -3.225 -6.584 504 1HG PRO 65 1HG PRO 65 -3.913 -5.304 -5.237 505 2HG PRO 65 2HG PRO 65 -4.469 -3.674 -5.641 506 1HD PRO 65 1HD PRO 65 -4.984 -6.232 -7.015 507 2HD PRO 65 2HD PRO 65 -5.903 -4.713 -7.071 508 H ALA 66 H ALA 66 -0.371 -5.074 -8.753 509 HA ALA 66 HA ALA 66 -0.628 -7.988 -8.944 510 1HB ALA 66 1HB ALA 66 1.664 -6.187 -9.742 511 2HB ALA 66 2HB ALA 66 1.567 -7.926 -10.023 512 3HB ALA 66 3HB ALA 66 0.437 -6.838 -10.831 513 H VAL 67 H VAL 67 0.806 -5.434 -7.099 514 HA VAL 67 HA VAL 67 1.385 -7.278 -4.945 515 HB VAL 67 HB VAL 67 3.508 -7.322 -6.160 516 1HG1 VAL 67 1HG1 VAL 67 3.348 -5.210 -7.346 517 2HG1 VAL 67 2HG1 VAL 67 3.528 -4.326 -5.830 518 3HG1 VAL 67 3HG1 VAL 67 4.862 -5.301 -6.445 519 1HG2 VAL 67 1HG2 VAL 67 5.010 -6.585 -4.369 520 2HG2 VAL 67 2HG2 VAL 67 3.685 -5.684 -3.633 521 3HG2 VAL 67 3HG2 VAL 67 3.605 -7.443 -3.736 522 H ILE 68 H ILE 68 1.239 -6.263 -2.933 523 HA ILE 68 HA ILE 68 0.557 -3.392 -3.061 524 HB ILE 68 HB ILE 68 -0.635 -5.431 -1.170 525 1HG1 ILE 68 1HG1 ILE 68 -1.903 -4.031 -3.537 526 2HG1 ILE 68 2HG1 ILE 68 -1.399 -5.717 -3.516 527 1HG2 ILE 68 1HG2 ILE 68 -1.309 -2.525 -1.626 528 2HG2 ILE 68 2HG2 ILE 68 -2.157 -3.623 -0.536 529 3HG2 ILE 68 3HG2 ILE 68 -0.477 -3.185 -0.218 530 1HD1 ILE 68 1HD1 ILE 68 -3.518 -4.490 -1.768 531 2HD1 ILE 68 2HD1 ILE 68 -3.793 -5.499 -3.187 532 3HD1 ILE 68 3HD1 ILE 68 -3.020 -6.182 -1.757 533 H LEU 69 H LEU 69 1.730 -2.093 -1.840 534 HA LEU 69 HA LEU 69 3.348 -3.244 0.332 535 1HB LEU 69 1HB LEU 69 3.588 -0.601 -1.114 536 2HB LEU 69 2HB LEU 69 4.597 -1.090 0.233 537 HG LEU 69 HG LEU 69 4.494 -2.413 -2.478 538 1HD1 LEU 69 1HD1 LEU 69 6.790 -1.570 -2.676 539 2HD1 LEU 69 2HD1 LEU 69 5.617 -0.262 -2.515 540 3HD1 LEU 69 3HD1 LEU 69 6.606 -0.734 -1.134 541 1HD2 LEU 69 1HD2 LEU 69 4.906 -4.030 -0.684 542 2HD2 LEU 69 2HD2 LEU 69 6.342 -3.780 -1.677 543 3HD2 LEU 69 3HD2 LEU 69 6.227 -3.026 -0.087 544 H LEU 70 H LEU 70 2.915 -2.704 2.398 545 HA LEU 70 HA LEU 70 0.810 -0.684 2.822 546 1HB LEU 70 1HB LEU 70 0.106 -2.995 3.321 547 2HB LEU 70 2HB LEU 70 1.423 -3.141 4.468 548 HG LEU 70 HG LEU 70 0.396 -1.329 5.822 549 1HD1 LEU 70 1HD1 LEU 70 -1.906 -0.667 5.365 550 2HD1 LEU 70 2HD1 LEU 70 -0.832 -0.200 4.046 551 3HD1 LEU 70 3HD1 LEU 70 -1.885 -1.606 3.872 552 1HD2 LEU 70 1HD2 LEU 70 -1.431 -2.687 6.705 553 2HD2 LEU 70 2HD2 LEU 70 -1.391 -3.690 5.256 554 3HD2 LEU 70 3HD2 LEU 70 -0.012 -3.674 6.354 555 H GLY 71 H GLY 71 1.648 1.112 3.633 556 1HA GLY 71 1HA GLY 71 3.940 0.925 5.468 557 2HA GLY 71 2HA GLY 71 3.385 2.388 4.659 558 H THR 72 H THR 72 3.557 0.958 7.594 559 HA THR 72 HA THR 72 0.890 1.726 8.491 560 HB THR 72 HB THR 72 1.586 0.624 10.632 561 HG1 THR 72 HG1 THR 72 3.831 0.796 10.490 562 1HG2 THR 72 1HG2 THR 72 1.853 -1.026 8.119 563 2HG2 THR 72 2HG2 THR 72 1.491 -1.652 9.728 564 3HG2 THR 72 3HG2 THR 72 0.341 -0.590 8.915 565 H GLY 73 H GLY 73 2.622 3.882 7.796 566 1HA GLY 73 1HA GLY 73 3.097 5.957 8.631 567 2HA GLY 73 2HA GLY 73 2.367 5.451 10.142 568 H GLU 74 H GLU 74 3.766 6.215 11.564 569 HA GLU 74 HA GLU 74 6.623 6.099 11.152 570 1HB GLU 74 1HB GLU 74 5.289 8.039 12.164 571 2HB GLU 74 2HB GLU 74 5.161 7.056 13.613 572 1HG GLU 74 1HG GLU 74 6.946 8.607 13.896 573 2HG GLU 74 2HG GLU 74 7.633 6.992 13.728 574 H ARG 75 H ARG 75 4.279 4.108 12.500 575 HA ARG 75 HA ARG 75 6.262 2.724 14.178 576 1HB ARG 75 1HB ARG 75 4.378 1.847 15.497 577 2HB ARG 75 2HB ARG 75 4.426 3.604 15.536 578 1HG ARG 75 1HG ARG 75 2.623 3.727 13.932 579 2HG ARG 75 2HG ARG 75 2.621 1.971 13.762 580 1HD ARG 75 1HD ARG 75 0.814 2.704 15.220 581 2HD ARG 75 2HD ARG 75 1.988 1.741 16.113 582 HE ARG 75 HE ARG 75 2.768 4.354 16.468 583 1HH1 ARG 75 1HH1 ARG 75 -0.084 2.434 17.183 584 2HH1 ARG 75 2HH1 ARG 75 -0.548 3.421 18.537 585 1HH2 ARG 75 1HH2 ARG 75 2.166 5.621 18.256 586 2HH2 ARG 75 2HH2 ARG 75 0.728 5.223 19.158 587 H GLN 76 H GLN 76 5.978 0.341 14.247 588 HA GLN 76 HA GLN 76 5.107 -0.626 11.620 589 1HB GLN 76 1HB GLN 76 7.406 -1.173 12.281 590 2HB GLN 76 2HB GLN 76 6.805 -1.982 13.723 591 1HG GLN 76 1HG GLN 76 5.734 -3.669 12.403 592 2HG GLN 76 2HG GLN 76 6.129 -2.813 10.913 593 1HE2 GLN 76 2HE2 GLN 76 8.229 -2.853 10.146 594 2HE2 GLN 76 1HE2 GLN 76 9.398 -4.003 10.704 595 H GLN 77 H GLN 77 3.195 -1.529 11.454 596 HA GLN 77 HA GLN 77 2.054 -2.885 13.811 597 1HB GLN 77 1HB GLN 77 0.581 -1.455 11.584 598 2HB GLN 77 2HB GLN 77 -0.173 -2.311 12.922 599 1HG GLN 77 1HG GLN 77 0.825 -0.726 14.494 600 2HG GLN 77 2HG GLN 77 1.562 0.138 13.144 601 1HE2 GLN 77 2HE2 GLN 77 -1.406 -0.606 14.802 602 2HE2 GLN 77 1HE2 GLN 77 -2.362 0.628 14.053 603 H PHE 78 H PHE 78 0.752 -4.768 13.377 604 HA PHE 78 HA PHE 78 1.483 -6.074 10.839 605 1HB PHE 78 1HB PHE 78 2.401 -7.130 12.909 606 2HB PHE 78 2HB PHE 78 0.750 -7.405 13.455 607 HD1 PHE 78 HD1 PHE 78 -0.364 -9.354 12.862 608 HD2 PHE 78 HD2 PHE 78 3.078 -8.159 10.664 609 HE1 PHE 78 HE1 PHE 78 -0.412 -11.487 11.634 610 HE2 PHE 78 HE2 PHE 78 3.036 -10.287 9.432 611 HZ PHE 78 HZ PHE 78 1.289 -11.953 9.915 612 HA PRO 79 HA PRO 79 -2.873 -5.866 9.963 613 1HB PRO 79 1HB PRO 79 -2.435 -7.673 7.735 614 2HB PRO 79 2HB PRO 79 -2.804 -5.948 7.705 615 1HG PRO 79 1HG PRO 79 -0.396 -6.986 6.957 616 2HG PRO 79 2HG PRO 79 -0.600 -5.349 7.604 617 1HD PRO 79 1HD PRO 79 0.370 -7.822 8.976 618 2HD PRO 79 2HD PRO 79 0.933 -6.145 9.132 619 H SER 80 H SER 80 -4.721 -7.299 9.628 620 HA SER 80 HA SER 80 -4.581 -9.588 11.336 621 1HB SER 80 1HB SER 80 -7.029 -9.795 10.710 622 2HB SER 80 2HB SER 80 -6.569 -8.258 11.445 623 HG SER 80 HG SER 80 -7.661 -7.601 9.712 624 H THR 81 H THR 81 -5.124 -11.751 10.747 625 HA THR 81 HA THR 81 -3.804 -12.673 8.460 626 HB THR 81 HB THR 81 -4.915 -14.862 9.120 627 HG1 THR 81 HG1 THR 81 -6.250 -14.877 10.821 628 1HG2 THR 81 1HG2 THR 81 -3.389 -13.340 11.230 629 2HG2 THR 81 2HG2 THR 81 -3.560 -15.094 11.150 630 3HG2 THR 81 3HG2 THR 81 -2.678 -14.236 9.887 631 H ASP 82 H ASP 82 -7.135 -11.883 9.108 632 HA ASP 82 HA ASP 82 -8.413 -13.169 6.986 633 1HB ASP 82 1HB ASP 82 -9.076 -10.475 8.205 634 2HB ASP 82 2HB ASP 82 -10.165 -11.449 7.223 635 H VAL 83 H VAL 83 -6.961 -9.931 7.144 636 HA VAL 83 HA VAL 83 -7.505 -9.267 4.435 637 HB VAL 83 HB VAL 83 -5.404 -8.118 6.287 638 1HG1 VAL 83 1HG1 VAL 83 -6.567 -7.008 3.734 639 2HG1 VAL 83 2HG1 VAL 83 -5.450 -6.165 4.808 640 3HG1 VAL 83 3HG1 VAL 83 -4.926 -7.615 3.949 641 1HG2 VAL 83 1HG2 VAL 83 -7.639 -7.894 7.211 642 2HG2 VAL 83 2HG2 VAL 83 -7.041 -6.325 6.670 643 3HG2 VAL 83 3HG2 VAL 83 -8.216 -7.205 5.694 644 H LEU 84 H LEU 84 -4.701 -10.626 6.106 645 HA LEU 84 HA LEU 84 -2.898 -10.655 3.974 646 1HB LEU 84 1HB LEU 84 -3.184 -12.634 6.237 647 2HB LEU 84 2HB LEU 84 -1.792 -12.515 5.178 648 HG LEU 84 HG LEU 84 -2.729 -10.344 7.056 649 1HD1 LEU 84 1HD1 LEU 84 -1.855 -12.267 8.264 650 2HD1 LEU 84 2HD1 LEU 84 -0.400 -12.245 7.267 651 3HD1 LEU 84 3HD1 LEU 84 -0.741 -10.904 8.361 652 1HD2 LEU 84 1HD2 LEU 84 -0.255 -10.556 5.343 653 2HD2 LEU 84 2HD2 LEU 84 -1.608 -9.451 5.090 654 3HD2 LEU 84 3HD2 LEU 84 -0.588 -9.283 6.518 655 H ALA 85 H ALA 85 -5.151 -13.192 5.054 656 HA ALA 85 HA ALA 85 -4.529 -15.049 3.039 657 1HB ALA 85 1HB ALA 85 -5.734 -15.629 5.097 658 2HB ALA 85 2HB ALA 85 -7.139 -14.731 4.518 659 3HB ALA 85 3HB ALA 85 -6.592 -16.168 3.654 660 H ALA 86 H ALA 86 -6.962 -12.479 3.173 661 HA ALA 86 HA ALA 86 -8.358 -13.074 0.834 662 1HB ALA 86 1HB ALA 86 -9.073 -10.745 0.843 663 2HB ALA 86 2HB ALA 86 -9.112 -11.418 2.471 664 3HB ALA 86 3HB ALA 86 -7.797 -10.345 1.992 665 H CYS 87 H CYS 87 -5.482 -11.038 1.284 666 HA CYS 87 HA CYS 87 -5.251 -10.271 -1.429 667 1HB CYS 87 1HB CYS 87 -3.065 -10.446 0.657 668 2HB CYS 87 2HB CYS 87 -3.016 -9.505 -0.830 669 HG CYS 87 HG CYS 87 -4.891 -8.920 1.960 670 H LEU 88 H LEU 88 -3.748 -12.861 0.467 671 HA LEU 88 HA LEU 88 -2.059 -13.833 -1.561 672 1HB LEU 88 1HB LEU 88 -3.278 -15.268 0.797 673 2HB LEU 88 2HB LEU 88 -1.988 -15.911 -0.203 674 HG LEU 88 HG LEU 88 -1.808 -13.413 1.484 675 1HD1 LEU 88 1HD1 LEU 88 -1.899 -15.417 2.849 676 2HD1 LEU 88 2HD1 LEU 88 -0.616 -16.152 1.888 677 3HD1 LEU 88 3HD1 LEU 88 -0.277 -14.726 2.870 678 1HD2 LEU 88 1HD2 LEU 88 0.572 -13.472 0.927 679 2HD2 LEU 88 2HD2 LEU 88 0.292 -14.851 -0.137 680 3HD2 LEU 88 3HD2 LEU 88 -0.422 -13.284 -0.517 681 H THR 89 H THR 89 -5.384 -14.644 -0.689 682 HA THR 89 HA THR 89 -5.716 -16.805 -2.468 683 HB THR 89 HB THR 89 -7.846 -14.872 -1.520 684 HG1 THR 89 HG1 THR 89 -6.790 -15.779 0.264 685 1HG2 THR 89 1HG2 THR 89 -8.041 -17.735 -2.467 686 2HG2 THR 89 2HG2 THR 89 -9.373 -16.763 -1.843 687 3HG2 THR 89 3HG2 THR 89 -8.586 -16.313 -3.356 688 H ARG 90 H ARG 90 -6.044 -13.323 -2.852 689 HA ARG 90 HA ARG 90 -7.117 -13.404 -5.496 690 1HB ARG 90 1HB ARG 90 -7.347 -11.456 -3.972 691 2HB ARG 90 2HB ARG 90 -5.617 -11.180 -4.089 692 1HG ARG 90 1HG ARG 90 -6.478 -9.639 -5.569 693 2HG ARG 90 2HG ARG 90 -6.053 -10.982 -6.628 694 1HD ARG 90 1HD ARG 90 -8.811 -10.509 -5.506 695 2HD ARG 90 2HD ARG 90 -8.279 -9.951 -7.089 696 HE ARG 90 HE ARG 90 -7.838 -12.439 -7.505 697 1HH1 ARG 90 1HH1 ARG 90 -10.405 -11.168 -5.490 698 2HH1 ARG 90 2HH1 ARG 90 -11.466 -12.519 -5.749 699 1HH2 ARG 90 1HH2 ARG 90 -9.237 -14.233 -7.858 700 2HH2 ARG 90 2HH2 ARG 90 -10.798 -14.255 -7.094 701 H GLY 91 H GLY 91 -4.003 -13.874 -4.174 702 1HA GLY 91 1HA GLY 91 -2.178 -14.732 -5.404 703 2HA GLY 91 2HA GLY 91 -2.864 -14.038 -6.866 704 H ILE 92 H ILE 92 -2.740 -12.077 -4.045 705 HA ILE 92 HA ILE 92 -0.559 -10.513 -5.269 706 HB ILE 92 HB ILE 92 -2.763 -9.454 -3.492 707 1HG1 ILE 92 1HG1 ILE 92 -2.523 -9.238 -6.501 708 2HG1 ILE 92 2HG1 ILE 92 -3.633 -10.317 -5.663 709 1HG2 ILE 92 1HG2 ILE 92 -2.009 -7.269 -4.308 710 2HG2 ILE 92 2HG2 ILE 92 -0.722 -8.132 -3.468 711 3HG2 ILE 92 3HG2 ILE 92 -0.731 -8.060 -5.229 712 1HD1 ILE 92 1HD1 ILE 92 -3.641 -7.313 -5.501 713 2HD1 ILE 92 2HD1 ILE 92 -4.758 -8.310 -6.433 714 3HD1 ILE 92 3HD1 ILE 92 -4.759 -8.397 -4.673 715 H GLY 93 H GLY 93 1.155 -9.942 -4.008 716 1HA GLY 93 1HA GLY 93 1.270 -11.039 -1.314 717 2HA GLY 93 2HA GLY 93 2.606 -10.331 -2.213 718 H LEU 94 H LEU 94 1.373 -9.877 0.534 719 HA LEU 94 HA LEU 94 1.034 -6.964 0.285 720 1HB LEU 94 1HB LEU 94 -1.032 -8.028 1.024 721 2HB LEU 94 2HB LEU 94 -0.175 -8.841 2.319 722 HG LEU 94 HG LEU 94 0.297 -6.655 3.365 723 1HD1 LEU 94 1HD1 LEU 94 0.283 -5.267 1.367 724 2HD1 LEU 94 2HD1 LEU 94 -1.446 -5.556 1.166 725 3HD1 LEU 94 3HD1 LEU 94 -0.859 -4.657 2.565 726 1HD2 LEU 94 1HD2 LEU 94 -1.665 -7.933 4.045 727 2HD2 LEU 94 2HD2 LEU 94 -1.983 -6.199 4.118 728 3HD2 LEU 94 3HD2 LEU 94 -2.619 -7.157 2.781 729 H GLU 95 H GLU 95 2.938 -6.107 0.798 730 HA GLU 95 HA GLU 95 4.497 -7.297 2.972 731 1HB GLU 95 1HB GLU 95 5.252 -5.167 0.963 732 2HB GLU 95 2HB GLU 95 6.327 -5.842 2.180 733 1HG GLU 95 1HG GLU 95 5.069 -7.325 -0.116 734 2HG GLU 95 2HG GLU 95 6.758 -6.843 0.027 735 H ALA 96 H ALA 96 3.930 -6.563 4.904 736 HA ALA 96 HA ALA 96 3.037 -3.814 5.248 737 1HB ALA 96 1HB ALA 96 2.492 -4.482 7.530 738 2HB ALA 96 2HB ALA 96 1.791 -5.601 6.362 739 3HB ALA 96 3HB ALA 96 3.239 -6.056 7.258 740 H MET 97 H MET 97 4.481 -2.282 5.579 741 HA MET 97 HA MET 97 6.777 -2.798 7.329 742 1HB MET 97 1HB MET 97 6.987 -1.486 4.605 743 2HB MET 97 2HB MET 97 8.290 -1.629 5.771 744 1HG MET 97 1HG MET 97 8.230 -4.057 5.553 745 2HG MET 97 2HG MET 97 6.909 -3.921 4.392 746 1HE MET 97 1HE MET 97 8.187 -5.332 2.583 747 2HE MET 97 2HE MET 97 9.505 -5.568 3.732 748 3HE MET 97 3HE MET 97 9.852 -5.024 2.091 749 H THR 98 H THR 98 7.983 -0.492 7.505 750 HA THR 98 HA THR 98 5.946 1.438 8.243 751 HB THR 98 HB THR 98 8.039 2.790 8.918 752 HG1 THR 98 HG1 THR 98 9.868 1.328 9.294 753 1HG2 THR 98 1HG2 THR 98 7.451 0.149 10.260 754 2HG2 THR 98 2HG2 THR 98 8.286 1.514 11.001 755 3HG2 THR 98 3HG2 THR 98 6.593 1.665 10.532 756 H ASN 99 H ASN 99 6.418 3.788 7.590 757 HA ASN 99 HA ASN 99 6.033 4.096 4.881 758 1HB ASN 99 1HB ASN 99 6.923 5.968 7.032 759 2HB ASN 99 2HB ASN 99 6.921 6.516 5.360 760 1HD2 ASN 99 2HD2 ASN 99 5.337 8.028 5.842 761 2HD2 ASN 99 1HD2 ASN 99 3.681 7.566 6.059 762 H ALA 100 H ALA 100 9.083 4.611 6.644 763 HA ALA 100 HA ALA 100 10.595 5.350 4.390 764 1HB ALA 100 1HB ALA 100 11.315 5.781 6.693 765 2HB ALA 100 2HB ALA 100 11.548 4.051 6.943 766 3HB ALA 100 3HB ALA 100 12.554 4.917 5.782 767 H ALA 101 H ALA 101 10.042 2.201 5.919 768 HA ALA 101 HA ALA 101 11.892 0.756 4.322 769 1HB ALA 101 1HB ALA 101 11.158 -0.049 6.499 770 2HB ALA 101 2HB ALA 101 9.515 -0.235 5.886 771 3HB ALA 101 3HB ALA 101 10.816 -1.236 5.241 772 H ALA 102 H ALA 102 8.440 1.425 4.048 773 HA ALA 102 HA ALA 102 7.906 -0.305 1.881 774 1HB ALA 102 1HB ALA 102 6.516 2.266 2.633 775 2HB ALA 102 2HB ALA 102 5.881 1.020 1.559 776 3HB ALA 102 3HB ALA 102 6.138 0.665 3.268 777 H ALA 103 H ALA 103 8.728 3.155 1.998 778 HA ALA 103 HA ALA 103 8.693 3.587 -0.787 779 1HB ALA 103 1HB ALA 103 9.925 5.635 -0.307 780 2HB ALA 103 2HB ALA 103 8.611 5.407 0.847 781 3HB ALA 103 3HB ALA 103 10.272 5.056 1.323 782 H ARG 104 H ARG 104 11.190 2.488 1.412 783 HA ARG 104 HA ARG 104 13.455 2.612 -0.186 784 1HB ARG 104 1HB ARG 104 13.137 1.887 2.283 785 2HB ARG 104 2HB ARG 104 12.843 0.286 1.634 786 1HG ARG 104 1HG ARG 104 15.369 1.842 1.137 787 2HG ARG 104 2HG ARG 104 15.162 0.710 2.470 788 1HD ARG 104 1HD ARG 104 14.477 -0.949 0.575 789 2HD ARG 104 2HD ARG 104 15.341 0.182 -0.465 790 HE ARG 104 HE ARG 104 16.496 -1.447 1.693 791 1HH1 ARG 104 1HH1 ARG 104 16.954 0.792 -0.967 792 2HH1 ARG 104 2HH1 ARG 104 18.661 0.475 -1.103 793 1HH2 ARG 104 1HH2 ARG 104 18.722 -1.872 1.506 794 2HH2 ARG 104 2HH2 ARG 104 19.663 -1.049 0.297 795 H THR 105 H THR 105 11.077 -0.013 0.102 796 HA THR 105 HA THR 105 12.348 -1.581 -1.958 797 HB THR 105 HB THR 105 9.640 -2.060 -0.708 798 HG1 THR 105 HG1 THR 105 10.854 -2.103 1.072 799 1HG2 THR 105 1HG2 THR 105 10.164 -4.417 -1.172 800 2HG2 THR 105 2HG2 THR 105 10.166 -3.454 -2.649 801 3HG2 THR 105 3HG2 THR 105 11.693 -3.930 -1.905 802 H TYR 106 H TYR 106 9.707 0.677 -1.724 803 HA TYR 106 HA TYR 106 8.177 -0.012 -3.940 804 1HB TYR 106 1HB TYR 106 7.507 1.654 -2.243 805 2HB TYR 106 2HB TYR 106 8.718 2.766 -2.869 806 HD1 TYR 106 HD1 TYR 106 5.587 0.984 -3.734 807 HD2 TYR 106 HD2 TYR 106 8.237 4.164 -4.711 808 HE1 TYR 106 HE1 TYR 106 3.930 1.871 -5.318 809 HE2 TYR 106 HE2 TYR 106 6.589 5.058 -6.301 810 HH TYR 106 HH TYR 106 4.678 4.256 -7.614 811 H ASN 107 H ASN 107 11.114 1.922 -3.732 812 HA ASN 107 HA ASN 107 11.167 3.021 -6.283 813 1HB ASN 107 1HB ASN 107 12.767 3.631 -4.523 814 2HB ASN 107 2HB ASN 107 13.512 2.040 -4.636 815 1HD2 ASN 107 2HD2 ASN 107 14.850 1.569 -6.372 816 2HD2 ASN 107 1HD2 ASN 107 15.423 2.779 -7.464 817 H VAL 108 H VAL 108 12.343 -0.141 -5.188 818 HA VAL 108 HA VAL 108 13.474 -0.912 -7.667 819 HB VAL 108 HB VAL 108 12.449 -2.702 -5.453 820 1HG1 VAL 108 1HG1 VAL 108 12.828 -3.900 -7.544 821 2HG1 VAL 108 2HG1 VAL 108 14.457 -3.232 -7.643 822 3HG1 VAL 108 3HG1 VAL 108 14.036 -4.341 -6.339 823 1HG2 VAL 108 1HG2 VAL 108 14.747 -2.697 -4.628 824 2HG2 VAL 108 2HG2 VAL 108 15.200 -1.547 -5.885 825 3HG2 VAL 108 3HG2 VAL 108 14.065 -1.070 -4.623 826 H LEU 109 H LEU 109 10.308 -1.469 -6.185 827 HA LEU 109 HA LEU 109 9.335 -3.221 -8.171 828 1HB LEU 109 1HB LEU 109 7.744 -1.368 -6.397 829 2HB LEU 109 2HB LEU 109 7.129 -2.777 -7.241 830 HG LEU 109 HG LEU 109 9.066 -2.744 -4.927 831 1HD1 LEU 109 1HD1 LEU 109 7.313 -4.000 -3.793 832 2HD1 LEU 109 2HD1 LEU 109 6.729 -2.424 -4.327 833 3HD1 LEU 109 3HD1 LEU 109 6.290 -3.877 -5.226 834 1HD2 LEU 109 1HD2 LEU 109 8.103 -5.091 -6.557 835 2HD2 LEU 109 2HD2 LEU 109 9.748 -4.460 -6.509 836 3HD2 LEU 109 3HD2 LEU 109 9.040 -5.186 -5.067 837 H ALA 110 H ALA 110 9.238 0.284 -7.841 838 HA ALA 110 HA ALA 110 7.591 0.787 -10.091 839 1HB ALA 110 1HB ALA 110 9.667 2.568 -8.820 840 2HB ALA 110 2HB ALA 110 8.400 3.084 -9.934 841 3HB ALA 110 3HB ALA 110 7.973 2.454 -8.343 842 H SER 111 H SER 111 11.095 0.554 -9.659 843 HA SER 111 HA SER 111 11.782 1.218 -12.318 844 1HB SER 111 1HB SER 111 13.265 -0.309 -10.176 845 2HB SER 111 2HB SER 111 13.976 0.124 -11.730 846 HG SER 111 HG SER 111 13.667 2.297 -11.229 847 H GLU 112 H GLU 112 10.809 -1.789 -10.795 848 HA GLU 112 HA GLU 112 11.611 -3.489 -12.930 849 1HB GLU 112 1HB GLU 112 11.077 -4.283 -10.616 850 2HB GLU 112 2HB GLU 112 9.379 -3.953 -10.941 851 1HG GLU 112 1HG GLU 112 9.446 -5.559 -12.800 852 2HG GLU 112 2HG GLU 112 11.123 -5.921 -12.405 853 H GLY 113 H GLY 113 8.680 -1.684 -12.199 854 1HA GLY 113 1HA GLY 113 7.166 -0.877 -13.811 855 2HA GLY 113 2HA GLY 113 7.832 -2.016 -14.973 856 H ARG 114 H ARG 114 6.642 -2.635 -11.720 857 HA ARG 114 HA ARG 114 4.647 -4.464 -12.870 858 1HB ARG 114 1HB ARG 114 4.716 -5.595 -10.648 859 2HB ARG 114 2HB ARG 114 6.259 -5.627 -11.491 860 1HG ARG 114 1HG ARG 114 6.798 -3.520 -10.097 861 2HG ARG 114 2HG ARG 114 5.457 -4.052 -9.082 862 1HD ARG 114 1HD ARG 114 7.804 -5.789 -9.814 863 2HD ARG 114 2HD ARG 114 7.726 -4.819 -8.347 864 HE ARG 114 HE ARG 114 5.442 -6.419 -8.436 865 1HH1 ARG 114 1HH1 ARG 114 8.905 -6.868 -8.291 866 2HH1 ARG 114 2HH1 ARG 114 8.815 -8.249 -7.228 867 1HH2 ARG 114 1HH2 ARG 114 5.304 -8.257 -7.083 868 2HH2 ARG 114 2HH2 ARG 114 6.760 -9.046 -6.544 869 H ARG 115 H ARG 115 2.536 -4.499 -11.926 870 HA ARG 115 HA ARG 115 1.599 -1.894 -11.239 871 1HB ARG 115 1HB ARG 115 0.208 -4.571 -11.378 872 2HB ARG 115 2HB ARG 115 -0.624 -3.073 -10.983 873 1HG ARG 115 1HG ARG 115 -0.091 -2.144 -13.133 874 2HG ARG 115 2HG ARG 115 0.918 -3.535 -13.528 875 1HD ARG 115 1HD ARG 115 -1.255 -3.667 -14.631 876 2HD ARG 115 2HD ARG 115 -1.037 -4.984 -13.483 877 HE ARG 115 HE ARG 115 -2.468 -3.652 -11.943 878 1HH1 ARG 115 1HH1 ARG 115 -2.660 -3.142 -15.406 879 2HH1 ARG 115 2HH1 ARG 115 -4.316 -2.604 -15.355 880 1HH2 ARG 115 1HH2 ARG 115 -4.637 -2.941 -11.882 881 2HH2 ARG 115 2HH2 ARG 115 -5.436 -2.485 -13.361 882 H VAL 116 H VAL 116 2.654 -1.367 -9.352 883 HA VAL 116 HA VAL 116 2.105 -2.975 -6.979 884 HB VAL 116 HB VAL 116 4.423 -2.346 -7.262 885 1HG1 VAL 116 1HG1 VAL 116 4.146 -0.369 -8.643 886 2HG1 VAL 116 2HG1 VAL 116 3.471 0.514 -7.273 887 3HG1 VAL 116 3HG1 VAL 116 5.156 -0.007 -7.242 888 1HG2 VAL 116 1HG2 VAL 116 3.139 -0.759 -5.042 889 2HG2 VAL 116 2HG2 VAL 116 3.611 -2.456 -4.976 890 3HG2 VAL 116 3HG2 VAL 116 4.843 -1.203 -5.130 891 H ALA 117 H ALA 117 0.774 -2.358 -5.405 892 HA ALA 117 HA ALA 117 -0.506 0.281 -5.632 893 1HB ALA 117 1HB ALA 117 -1.475 -2.197 -4.204 894 2HB ALA 117 2HB ALA 117 -2.334 -0.660 -4.310 895 3HB ALA 117 3HB ALA 117 -2.051 -1.613 -5.767 896 H LEU 118 H LEU 118 0.479 1.709 -4.362 897 HA LEU 118 HA LEU 118 1.732 0.833 -1.891 898 1HB LEU 118 1HB LEU 118 2.898 2.410 -3.396 899 2HB LEU 118 2HB LEU 118 1.610 3.574 -3.154 900 HG LEU 118 HG LEU 118 2.189 3.674 -0.744 901 1HD1 LEU 118 1HD1 LEU 118 3.184 1.461 -0.516 902 2HD1 LEU 118 2HD1 LEU 118 4.523 1.947 -1.557 903 3HD1 LEU 118 3HD1 LEU 118 4.303 2.717 0.014 904 1HD2 LEU 118 1HD2 LEU 118 3.088 5.317 -2.304 905 2HD2 LEU 118 2HD2 LEU 118 4.251 4.955 -1.030 906 3HD2 LEU 118 3HD2 LEU 118 4.461 4.262 -2.639 907 H ALA 119 H ALA 119 0.170 0.400 -0.426 908 HA ALA 119 HA ALA 119 -1.923 2.354 0.104 909 1HB ALA 119 1HB ALA 119 -2.732 0.741 1.754 910 2HB ALA 119 2HB ALA 119 -2.478 -0.042 0.193 911 3HB ALA 119 3HB ALA 119 -1.304 -0.260 1.491 912 H MET 120 H MET 120 -0.903 4.125 0.908 913 HA MET 120 HA MET 120 1.147 3.740 2.962 914 1HB MET 120 1HB MET 120 1.246 5.254 0.770 915 2HB MET 120 2HB MET 120 0.504 6.424 1.851 916 1HG MET 120 1HG MET 120 2.855 6.771 1.877 917 2HG MET 120 2HG MET 120 2.391 6.070 3.428 918 1HE MET 120 1HE MET 120 5.360 6.228 1.940 919 2HE MET 120 2HE MET 120 6.029 4.690 2.486 920 3HE MET 120 3HE MET 120 5.133 5.712 3.609 921 H ILE 121 H ILE 121 0.301 3.625 4.933 922 HA ILE 121 HA ILE 121 -1.910 5.397 5.664 923 HB ILE 121 HB ILE 121 -0.696 3.082 7.189 924 1HG1 ILE 121 1HG1 ILE 121 -3.308 3.270 5.665 925 2HG1 ILE 121 2HG1 ILE 121 -1.882 2.379 5.144 926 1HG2 ILE 121 1HG2 ILE 121 -2.678 3.284 8.632 927 2HG2 ILE 121 2HG2 ILE 121 -1.647 4.713 8.696 928 3HG2 ILE 121 3HG2 ILE 121 -3.143 4.746 7.761 929 1HD1 ILE 121 1HD1 ILE 121 -3.522 1.806 7.600 930 2HD1 ILE 121 2HD1 ILE 121 -3.544 0.894 6.091 931 3HD1 ILE 121 3HD1 ILE 121 -2.088 0.916 7.085 932 H VAL 122 H VAL 122 -1.616 7.106 6.924 933 HA VAL 122 HA VAL 122 0.899 7.374 8.417 934 HB VAL 122 HB VAL 122 0.600 9.929 7.794 935 1HG1 VAL 122 1HG1 VAL 122 2.585 8.608 7.317 936 2HG1 VAL 122 2HG1 VAL 122 1.791 7.893 5.913 937 3HG1 VAL 122 3HG1 VAL 122 2.167 9.616 5.930 938 1HG2 VAL 122 1HG2 VAL 122 -0.630 8.525 5.420 939 2HG2 VAL 122 2HG2 VAL 122 -1.451 9.642 6.509 940 3HG2 VAL 122 3HG2 VAL 122 -0.147 10.221 5.474 941 H GLY 123 H GLY 123 0.479 7.679 10.486 942 1HA GLY 123 1HA GLY 123 -2.194 8.147 11.391 943 2HA GLY 123 2HA GLY 123 -0.774 7.948 12.404 944 H GLY 124 H GLY 124 0.507 10.210 10.789 945 1HA GLY 124 1HA GLY 124 0.682 12.506 10.938 946 2HA GLY 124 2HA GLY 124 -0.991 12.548 11.481 947 H LEU 125 H LEU 125 -1.452 12.298 13.690 948 HA LEU 125 HA LEU 125 0.707 12.079 15.587 949 1HB LEU 125 1HB LEU 125 0.163 14.196 16.742 950 2HB LEU 125 2HB LEU 125 0.845 14.441 15.150 951 HG LEU 125 HG LEU 125 -1.694 14.637 14.445 952 1HD1 LEU 125 1HD1 LEU 125 -2.603 14.080 16.639 953 2HD1 LEU 125 2HD1 LEU 125 -1.754 15.454 17.347 954 3HD1 LEU 125 3HD1 LEU 125 -3.038 15.723 16.168 955 1HD2 LEU 125 1HD2 LEU 125 -0.024 16.372 14.156 956 2HD2 LEU 125 2HD2 LEU 125 -1.525 17.062 14.773 957 3HD2 LEU 125 3HD2 LEU 125 -0.158 16.812 15.858 958 H GLU 126 H GLU 126 -0.055 11.741 17.755 959 HA GLU 126 HA GLU 126 -2.826 10.764 17.767 960 1HB GLU 126 1HB GLU 126 -1.864 9.349 19.758 961 2HB GLU 126 2HB GLU 126 -1.608 8.848 18.094 962 1HG GLU 126 1HG GLU 126 0.414 8.609 19.431 963 2HG GLU 126 2HG GLU 126 0.635 9.774 18.128 964 H HIS 127 H HIS 127 -0.875 13.161 19.034 965 HA HIS 127 HA HIS 127 -2.057 13.287 21.648 966 1HB HIS 127 1HB HIS 127 -0.065 14.880 20.145 967 2HB HIS 127 2HB HIS 127 -0.982 15.742 21.374 968 HD1 HIS 127 HD1 HIS 127 1.183 12.622 21.079 969 HD2 HIS 127 HD2 HIS 127 -0.029 15.440 23.893 970 HE1 HIS 127 HE1 HIS 127 2.510 12.127 23.160 971 HE2 HIS 127 HE2 HIS 127 1.602 13.703 24.904 972 H HIS 128 H HIS 128 -4.276 13.268 21.096 973 HA HIS 128 HA HIS 128 -5.299 15.741 19.905 974 1HB HIS 128 1HB HIS 128 -6.761 13.206 20.686 975 2HB HIS 128 2HB HIS 128 -7.495 14.602 19.907 976 HD1 HIS 128 HD1 HIS 128 -6.720 11.416 18.976 977 HD2 HIS 128 HD2 HIS 128 -5.552 15.098 17.418 978 HE1 HIS 128 HE1 HIS 128 -6.002 10.960 16.605 979 HE2 HIS 128 HE2 HIS 128 -5.339 13.207 15.662 980 H HIS 129 H HIS 129 -4.333 14.735 22.819 981 HA HIS 129 HA HIS 129 -5.742 16.844 24.161 982 1HB HIS 129 1HB HIS 129 -6.775 15.554 25.897 983 2HB HIS 129 2HB HIS 129 -7.302 14.864 24.369 984 HD1 HIS 129 HD1 HIS 129 -6.458 12.455 23.799 985 HD2 HIS 129 HD2 HIS 129 -5.246 13.877 27.518 986 HE1 HIS 129 HE1 HIS 129 -5.577 10.455 25.039 987 HE2 HIS 129 HE2 HIS 129 -5.025 11.302 27.346 988 H HIS 130 H HIS 130 -4.725 17.405 26.182 989 HA HIS 130 HA HIS 130 -1.936 16.692 26.289 990 1HB HIS 130 1HB HIS 130 -3.653 18.412 28.083 991 2HB HIS 130 2HB HIS 130 -1.935 18.149 28.353 992 HD1 HIS 130 HD1 HIS 130 -4.044 20.591 27.033 993 HD2 HIS 130 HD2 HIS 130 -0.515 18.851 25.698 994 HE1 HIS 130 HE1 HIS 130 -3.076 22.215 25.371 995 HE2 HIS 130 HE2 HIS 130 -0.833 21.238 24.754 996 H HIS 131 H HIS 131 -0.861 15.672 28.053 997 HA HIS 131 HA HIS 131 -2.483 13.523 29.144 998 1HB HIS 131 1HB HIS 131 -0.316 12.974 28.129 999 2HB HIS 131 2HB HIS 131 0.502 13.991 29.310 1000 HD1 HIS 131 HD1 HIS 131 1.300 12.836 31.357 1001 HD2 HIS 131 HD2 HIS 131 -1.716 10.709 29.434 1002 HE1 HIS 131 HE1 HIS 131 1.072 10.677 32.627 1003 HE2 HIS 131 HE2 HIS 131 -0.869 9.480 31.552 1004 H HIS 132 H HIS 132 -3.250 13.462 31.109 1005 HA HIS 132 HA HIS 132 -1.856 14.466 33.379 1006 1HB HIS 132 1HB HIS 132 -2.750 16.604 32.658 1007 2HB HIS 132 2HB HIS 132 -4.358 15.913 32.474 1008 HD1 HIS 132 HD1 HIS 132 -5.868 16.343 34.356 1009 HD2 HIS 132 HD2 HIS 132 -1.883 16.431 35.541 1010 HE1 HIS 132 HE1 HIS 132 -5.902 16.947 36.799 1011 HE2 HIS 132 HE2 HIS 132 -3.478 17.055 37.489
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