NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11075 | 1qvx | 5677 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 920 H ARG 920 -8.258 -20.883 -2.254 2 HA ARG 920 HA ARG 920 -8.697 -20.368 0.614 3 1HB ARG 920 HB1 ARG 920 -6.338 -20.621 0.094 4 2HB ARG 920 HB2 ARG 920 -6.484 -19.450 -1.210 5 1HG ARG 920 HG1 ARG 920 -5.524 -18.224 0.473 6 2HG ARG 920 HG2 ARG 920 -7.237 -17.811 0.600 7 1HD ARG 920 HD1 ARG 920 -5.625 -19.666 2.336 8 2HD ARG 920 HD2 ARG 920 -6.392 -18.157 2.798 9 HE ARG 920 HE ARG 920 -7.963 -20.530 2.031 10 1HH1 ARG 920 2HH1 ARG 920 -7.257 -17.887 4.214 11 2HH1 ARG 920 1HH1 ARG 920 -8.591 -18.226 5.268 12 1HH2 ARG 920 2HH2 ARG 920 -9.716 -20.995 3.414 13 2HH2 ARG 920 1HH2 ARG 920 -9.999 -19.995 4.805 14 H SER 921 H SER 921 -10.376 -18.983 0.780 15 HA SER 921 HA SER 921 -10.928 -16.848 -0.917 16 1HB SER 921 HB1 SER 921 -11.208 -16.868 2.101 17 2HB SER 921 HB2 SER 921 -12.113 -15.863 0.970 18 HG SER 921 HG SER 921 -12.619 -18.178 0.095 19 H ASN 922 H ASN 922 -10.117 -14.739 -1.002 20 HA ASN 922 HA ASN 922 -7.409 -14.514 -0.489 21 1HB ASN 922 HB1 ASN 922 -8.877 -12.024 -1.010 22 2HB ASN 922 HB2 ASN 922 -7.462 -12.683 -1.826 23 1HD2 ASN 922 2HD2 ASN 922 -7.732 -14.266 -3.379 24 2HD2 ASN 922 1HD2 ASN 922 -9.225 -14.492 -4.212 25 H ASP 923 H ASP 923 -7.150 -14.818 1.614 26 HA ASP 923 HA ASP 923 -8.514 -13.960 3.774 27 1HB ASP 923 HB1 ASP 923 -6.486 -15.573 3.462 28 2HB ASP 923 HB2 ASP 923 -5.524 -14.163 3.886 29 H LYS 924 H LYS 924 -7.145 -12.709 5.558 30 HA LYS 924 HA LYS 924 -7.668 -10.044 5.386 31 1HB LYS 924 HB1 LYS 924 -6.826 -11.556 7.338 32 2HB LYS 924 HB2 LYS 924 -5.235 -10.983 6.868 33 1HG LYS 924 HG1 LYS 924 -7.438 -9.045 7.433 34 2HG LYS 924 HG2 LYS 924 -6.525 -9.780 8.750 35 1HD LYS 924 HD1 LYS 924 -4.450 -8.923 7.793 36 2HD LYS 924 HD2 LYS 924 -5.356 -8.203 6.462 37 1HE LYS 924 HE1 LYS 924 -4.792 -6.555 8.191 38 2HE LYS 924 HE2 LYS 924 -6.535 -6.756 8.001 39 1HZ LYS 924 HZ1 LYS 924 -5.503 -6.712 10.359 40 2HZ LYS 924 HZ2 LYS 924 -6.718 -7.840 10.011 41 3HZ LYS 924 HZ3 LYS 924 -5.091 -8.323 10.040 42 H VAL 925 H VAL 925 -5.085 -11.707 3.863 43 HA VAL 925 HA VAL 925 -3.288 -9.647 3.350 44 HB VAL 925 HB VAL 925 -2.833 -11.021 1.188 45 1HG1 VAL 925 1HG1 VAL 925 -1.429 -11.104 3.188 46 2HG1 VAL 925 2HG1 VAL 925 -2.538 -12.250 3.942 47 3HG1 VAL 925 3HG1 VAL 925 -1.623 -12.720 2.509 48 1HG2 VAL 925 1HG2 VAL 925 -4.980 -12.190 1.123 49 2HG2 VAL 925 2HG2 VAL 925 -3.643 -13.329 1.280 50 3HG2 VAL 925 3HG2 VAL 925 -4.634 -12.934 2.684 51 H TYR 926 H TYR 926 -6.101 -10.768 1.278 52 HA TYR 926 HA TYR 926 -5.452 -8.612 -0.616 53 1HB TYR 926 HB1 TYR 926 -6.291 -10.633 -1.579 54 2HB TYR 926 HB2 TYR 926 -7.643 -10.714 -0.458 55 HD1 TYR 926 HD1 TYR 926 -6.272 -8.692 -3.279 56 HD2 TYR 926 HD2 TYR 926 -9.710 -9.832 -1.044 57 HE1 TYR 926 HE1 TYR 926 -7.709 -7.561 -4.923 58 HE2 TYR 926 HE2 TYR 926 -11.154 -8.703 -2.678 59 HH TYR 926 HH TYR 926 -10.945 -6.841 -4.330 60 H GLU 927 H GLU 927 -7.433 -9.249 2.098 61 HA GLU 927 HA GLU 927 -9.498 -7.383 1.793 62 1HB GLU 927 HB1 GLU 927 -8.223 -8.655 4.209 63 2HB GLU 927 HB2 GLU 927 -9.644 -7.633 4.316 64 1HG GLU 927 HG1 GLU 927 -10.835 -9.187 2.822 65 2HG GLU 927 HG2 GLU 927 -9.403 -10.216 2.795 66 H ASN 928 H ASN 928 -6.585 -7.144 3.843 67 HA ASN 928 HA ASN 928 -7.236 -4.473 4.598 68 1HB ASN 928 HB1 ASN 928 -6.046 -6.057 6.068 69 2HB ASN 928 HB2 ASN 928 -4.656 -5.989 4.991 70 1HD2 ASN 928 2HD2 ASN 928 -6.693 -3.254 5.865 71 2HD2 ASN 928 1HD2 ASN 928 -5.466 -2.408 6.735 72 H VAL 929 H VAL 929 -5.015 -5.865 2.251 73 HA VAL 929 HA VAL 929 -3.556 -3.569 1.642 74 HB VAL 929 HB VAL 929 -3.166 -4.636 -0.596 75 1HG1 VAL 929 1HG1 VAL 929 -1.759 -5.119 1.324 76 2HG1 VAL 929 2HG1 VAL 929 -2.880 -6.377 1.845 77 3HG1 VAL 929 3HG1 VAL 929 -1.983 -6.562 0.337 78 1HG2 VAL 929 1HG2 VAL 929 -4.085 -6.866 -0.951 79 2HG2 VAL 929 2HG2 VAL 929 -5.044 -6.706 0.521 80 3HG2 VAL 929 3HG2 VAL 929 -5.358 -5.651 -0.856 81 H THR 930 H THR 930 -6.689 -4.656 0.390 82 HA THR 930 HA THR 930 -7.133 -2.524 -1.385 83 HB THR 930 HB THR 930 -9.159 -3.999 0.328 84 HG1 THR 930 HG1 THR 930 -8.270 -5.549 -0.927 85 1HG2 THR 930 1HG2 THR 930 -10.775 -3.354 -1.411 86 2HG2 THR 930 2HG2 THR 930 -10.076 -1.940 -0.623 87 3HG2 THR 930 3HG2 THR 930 -9.518 -2.419 -2.225 88 H GLY 931 H GLY 931 -7.550 -2.917 2.054 89 1HA GLY 931 HA1 GLY 931 -8.706 -0.483 2.751 90 2HA GLY 931 HA2 GLY 931 -7.643 -1.419 3.789 91 H LEU 932 H LEU 932 -5.318 -1.155 1.915 92 HA LEU 932 HA LEU 932 -4.283 1.324 2.815 93 1HB LEU 932 HB1 LEU 932 -3.002 -0.771 1.921 94 2HB LEU 932 HB2 LEU 932 -3.251 -0.054 0.342 95 HG LEU 932 HG LEU 932 -1.728 1.211 2.638 96 1HD1 LEU 932 1HD1 LEU 932 -0.751 0.050 0.036 97 2HD1 LEU 932 2HD1 LEU 932 0.237 0.890 1.232 98 3HD1 LEU 932 3HD1 LEU 932 -0.527 -0.646 1.640 99 1HD2 LEU 932 1HD2 LEU 932 -1.069 2.932 1.061 100 2HD2 LEU 932 2HD2 LEU 932 -2.058 2.190 -0.196 101 3HD2 LEU 932 3HD2 LEU 932 -2.824 2.896 1.226 102 H VAL 933 H VAL 933 -5.501 0.270 -0.358 103 HA VAL 933 HA VAL 933 -5.328 2.748 -1.662 104 HB VAL 933 HB VAL 933 -7.450 0.633 -2.121 105 1HG1 VAL 933 1HG1 VAL 933 -7.922 2.722 -3.257 106 2HG1 VAL 933 2HG1 VAL 933 -6.300 2.741 -3.946 107 3HG1 VAL 933 3HG1 VAL 933 -7.447 1.489 -4.425 108 1HG2 VAL 933 1HG2 VAL 933 -5.244 -0.385 -2.150 109 2HG2 VAL 933 2HG2 VAL 933 -5.914 -0.315 -3.779 110 3HG2 VAL 933 3HG2 VAL 933 -4.676 0.840 -3.287 111 H LYS 934 H LYS 934 -7.954 1.332 0.266 112 HA LYS 934 HA LYS 934 -9.793 3.431 -0.006 113 1HB LYS 934 HB1 LYS 934 -9.488 1.702 2.451 114 2HB LYS 934 HB2 LYS 934 -10.935 2.529 1.904 115 1HG LYS 934 HG1 LYS 934 -9.610 0.202 0.517 116 2HG LYS 934 HG2 LYS 934 -11.037 0.111 1.545 117 1HD LYS 934 HD1 LYS 934 -12.022 0.153 -0.523 118 2HD LYS 934 HD2 LYS 934 -11.972 1.882 -0.173 119 1HE LYS 934 HE1 LYS 934 -10.062 2.190 -1.550 120 2HE LYS 934 HE2 LYS 934 -9.808 0.452 -1.699 121 1HZ LYS 934 HZ1 LYS 934 -11.745 0.252 -3.038 122 2HZ LYS 934 HZ2 LYS 934 -12.210 1.856 -2.746 123 3HZ LYS 934 HZ3 LYS 934 -10.827 1.524 -3.676 124 H ALA 935 H ALA 935 -6.977 3.035 1.990 125 HA ALA 935 HA ALA 935 -7.558 5.269 3.700 126 1HB ALA 935 HB1 ALA 935 -5.317 4.929 4.585 127 2HB ALA 935 HB2 ALA 935 -6.207 3.408 4.514 128 3HB ALA 935 HB3 ALA 935 -4.977 3.767 3.302 129 H VAL 936 H VAL 936 -5.910 4.750 0.651 130 HA VAL 936 HA VAL 936 -4.794 7.385 0.700 131 HB VAL 936 HB VAL 936 -3.809 7.007 -1.286 132 1HG1 VAL 936 1HG1 VAL 936 -3.113 5.207 0.150 133 2HG1 VAL 936 2HG1 VAL 936 -4.413 4.189 -0.471 134 3HG1 VAL 936 3HG1 VAL 936 -3.108 4.700 -1.539 135 1HG2 VAL 936 1HG2 VAL 936 -4.687 5.639 -3.137 136 2HG2 VAL 936 2HG2 VAL 936 -6.094 5.238 -2.155 137 3HG2 VAL 936 3HG2 VAL 936 -5.816 6.905 -2.656 138 H ILE 937 H ILE 937 -7.827 6.007 0.047 139 HA ILE 937 HA ILE 937 -8.954 8.186 -1.387 140 HB ILE 937 HB ILE 937 -10.293 6.228 0.492 141 1HG1 ILE 937 1HG1 ILE 937 -10.131 6.296 -2.530 142 2HG1 ILE 937 2HG1 ILE 937 -9.264 5.180 -1.481 143 1HG2 ILE 937 1HG2 ILE 937 -11.513 8.180 -1.460 144 2HG2 ILE 937 2HG2 ILE 937 -12.397 6.922 -0.596 145 3HG2 ILE 937 3HG2 ILE 937 -11.635 8.236 0.299 146 1HD1 ILE 937 1HD1 ILE 937 -12.254 5.347 -1.791 147 2HD1 ILE 937 2HD1 ILE 937 -11.199 4.123 -2.495 148 3HD1 ILE 937 3HD1 ILE 937 -11.384 4.224 -0.746 149 H GLU 938 H GLU 938 -8.473 7.419 2.014 150 HA GLU 938 HA GLU 938 -9.569 9.643 3.236 151 1HB GLU 938 HB1 GLU 938 -6.919 8.359 3.942 152 2HB GLU 938 HB2 GLU 938 -7.885 9.383 4.998 153 1HG GLU 938 HG1 GLU 938 -8.647 6.669 3.945 154 2HG GLU 938 HG2 GLU 938 -8.200 7.075 5.601 155 H MET 939 H MET 939 -6.469 9.333 1.565 156 HA MET 939 HA MET 939 -5.454 11.889 2.068 157 1HB MET 939 HB1 MET 939 -4.074 10.236 0.979 158 2HB MET 939 HB2 MET 939 -5.189 10.126 -0.377 159 1HG MET 939 HG1 MET 939 -4.659 12.486 -0.931 160 2HG MET 939 HG2 MET 939 -3.447 12.470 0.348 161 1HE MET 939 HE1 MET 939 -1.218 11.036 0.270 162 2HE MET 939 HE2 MET 939 -2.215 9.587 0.146 163 3HE MET 939 HE3 MET 939 -0.879 9.837 -0.978 164 H SER 940 H SER 940 -7.674 10.751 -0.419 165 HA SER 940 HA SER 940 -7.951 13.224 -1.772 166 1HB SER 940 HB1 SER 940 -9.920 10.931 -1.695 167 2HB SER 940 HB2 SER 940 -9.761 12.158 -2.952 168 HG SER 940 HG SER 940 -8.259 9.875 -2.493 169 H SER 941 H SER 941 -9.678 11.736 0.951 170 HA SER 941 HA SER 941 -11.853 13.630 0.748 171 1HB SER 941 HB1 SER 941 -12.565 12.551 2.937 172 2HB SER 941 HB2 SER 941 -12.460 11.464 1.554 173 HG SER 941 HG SER 941 -11.277 10.347 2.901 174 H LYS 942 H LYS 942 -8.992 13.108 2.628 175 HA LYS 942 HA LYS 942 -9.213 15.005 4.610 176 1HB LYS 942 HB1 LYS 942 -7.041 13.591 3.227 177 2HB LYS 942 HB2 LYS 942 -6.564 15.099 4.001 178 1HG LYS 942 HG1 LYS 942 -8.108 12.956 5.429 179 2HG LYS 942 HG2 LYS 942 -6.339 13.025 5.400 180 1HD LYS 942 HD1 LYS 942 -6.243 14.889 6.671 181 2HD LYS 942 HD2 LYS 942 -7.789 15.506 6.069 182 1HE LYS 942 HE1 LYS 942 -7.998 14.911 8.412 183 2HE LYS 942 HE2 LYS 942 -8.957 13.806 7.432 184 1HZ LYS 942 HZ1 LYS 942 -6.310 13.260 8.655 185 2HZ LYS 942 HZ2 LYS 942 -7.792 12.569 9.090 186 3HZ LYS 942 HZ3 LYS 942 -7.100 12.202 7.589 187 H ILE 943 H ILE 943 -7.973 15.449 1.297 188 HA ILE 943 HA ILE 943 -7.193 18.125 1.828 189 HB ILE 943 HB ILE 943 -6.101 16.803 0.067 190 1HG1 ILE 943 1HG1 ILE 943 -7.486 19.286 -0.969 191 2HG1 ILE 943 2HG1 ILE 943 -5.981 19.239 -0.058 192 1HG2 ILE 943 1HG2 ILE 943 -8.027 15.576 -0.762 193 2HG2 ILE 943 2HG2 ILE 943 -8.702 17.061 -1.432 194 3HG2 ILE 943 3HG2 ILE 943 -7.198 16.406 -2.080 195 1HD1 ILE 943 1HD1 ILE 943 -6.411 18.075 -2.799 196 2HD1 ILE 943 2HD1 ILE 943 -5.583 19.588 -2.431 197 3HD1 ILE 943 3HD1 ILE 943 -4.900 18.054 -1.889 198 H GLN 944 H GLN 944 -10.168 16.649 0.861 199 HA GLN 944 HA GLN 944 -11.352 18.739 -0.545 200 1HB GLN 944 HB1 GLN 944 -12.743 16.746 1.245 201 2HB GLN 944 HB2 GLN 944 -13.495 17.699 -0.032 202 1HG GLN 944 HG1 GLN 944 -12.082 16.610 -1.686 203 2HG GLN 944 HG2 GLN 944 -11.316 15.663 -0.416 204 1HE2 GLN 944 2HE2 GLN 944 -12.673 14.713 -2.725 205 2HE2 GLN 944 1HE2 GLN 944 -14.009 13.760 -2.177 206 HA PRO 945 HA PRO 945 -12.945 20.887 3.270 207 1HB PRO 945 HB1 PRO 945 -13.127 19.765 5.686 208 2HB PRO 945 HB2 PRO 945 -14.235 19.335 4.378 209 1HG PRO 945 HG1 PRO 945 -11.995 17.790 5.531 210 2HG PRO 945 HG2 PRO 945 -13.460 17.216 4.717 211 1HD PRO 945 HD1 PRO 945 -10.839 17.544 3.607 212 2HD PRO 945 HD2 PRO 945 -12.313 16.999 2.787 213 H ALA 946 H ALA 946 -9.913 19.313 3.762 214 HA ALA 946 HA ALA 946 -9.207 21.144 5.943 215 1HB ALA 946 HB1 ALA 946 -7.417 19.582 6.465 216 2HB ALA 946 HB2 ALA 946 -8.983 18.771 6.429 217 3HB ALA 946 HB3 ALA 946 -7.866 18.593 5.076 218 HA PRO 947 HA PRO 947 -6.214 23.170 3.389 219 1HB PRO 947 HB1 PRO 947 -4.862 24.475 5.299 220 2HB PRO 947 HB2 PRO 947 -6.570 24.795 4.991 221 1HG PRO 947 HG1 PRO 947 -5.293 23.334 7.225 222 2HG PRO 947 HG2 PRO 947 -6.816 24.238 7.194 223 1HD PRO 947 HD1 PRO 947 -6.446 21.420 6.967 224 2HD PRO 947 HD2 PRO 947 -7.964 22.328 6.844 225 HA PRO 948 HA PRO 948 -2.105 21.564 2.779 226 1HB PRO 948 HB1 PRO 948 -0.873 23.847 4.261 227 2HB PRO 948 HB2 PRO 948 -0.444 23.167 2.685 228 1HG PRO 948 HG1 PRO 948 -1.829 25.415 2.806 229 2HG PRO 948 HG2 PRO 948 -2.257 24.171 1.614 230 1HD PRO 948 HD1 PRO 948 -3.611 24.896 4.170 231 2HD PRO 948 HD2 PRO 948 -4.313 24.367 2.628 232 H GLU 949 H GLU 949 -2.525 22.739 6.083 233 HA GLU 949 HA GLU 949 -0.496 21.300 7.318 234 1HB GLU 949 HB1 GLU 949 -1.842 21.357 9.337 235 2HB GLU 949 HB2 GLU 949 -1.860 22.913 8.517 236 1HG GLU 949 HG1 GLU 949 -4.074 22.488 7.677 237 2HG GLU 949 HG2 GLU 949 -4.048 20.856 8.344 238 H GLU 950 H GLU 950 -3.505 20.227 5.991 239 HA GLU 950 HA GLU 950 -3.177 17.613 7.234 240 1HB GLU 950 HB1 GLU 950 -5.499 18.843 5.764 241 2HB GLU 950 HB2 GLU 950 -5.437 17.135 6.183 242 1HG GLU 950 HG1 GLU 950 -5.273 19.400 8.161 243 2HG GLU 950 HG2 GLU 950 -6.739 18.501 7.774 244 H TYR 951 H TYR 951 -2.382 19.227 4.427 245 HA TYR 951 HA TYR 951 -2.530 17.274 2.449 246 1HB TYR 951 HB1 TYR 951 -0.653 19.513 3.037 247 2HB TYR 951 HB2 TYR 951 -0.119 18.313 1.869 248 HD1 TYR 951 HD1 TYR 951 -0.115 19.426 -0.110 249 HD2 TYR 951 HD2 TYR 951 -3.560 19.715 2.363 250 HE1 TYR 951 HE1 TYR 951 -1.267 20.625 -1.892 251 HE2 TYR 951 HE2 TYR 951 -4.740 20.920 0.573 252 HH TYR 951 HH TYR 951 -4.249 22.249 -1.392 253 H VAL 952 H VAL 952 -0.110 17.798 5.002 254 HA VAL 952 HA VAL 952 1.275 15.406 4.283 255 HB VAL 952 HB VAL 952 2.806 16.636 5.353 256 1HG1 VAL 952 1HG1 VAL 952 1.429 18.503 5.942 257 2HG1 VAL 952 2HG1 VAL 952 0.708 17.610 7.282 258 3HG1 VAL 952 3HG1 VAL 952 2.412 18.060 7.336 259 1HG2 VAL 952 1HG2 VAL 952 3.252 15.838 7.629 260 2HG2 VAL 952 2HG2 VAL 952 1.624 15.162 7.699 261 3HG2 VAL 952 3HG2 VAL 952 2.792 14.530 6.540 262 HA PRO 953 HA PRO 953 -1.191 13.348 8.094 263 1HB PRO 953 HB1 PRO 953 -3.597 15.045 7.652 264 2HB PRO 953 HB2 PRO 953 -3.046 14.231 9.129 265 1HG PRO 953 HG1 PRO 953 -2.635 16.819 8.852 266 2HG PRO 953 HG2 PRO 953 -1.345 15.783 9.501 267 1HD PRO 953 HD1 PRO 953 -1.632 16.974 6.776 268 2HD PRO 953 HD2 PRO 953 -0.174 16.749 7.759 269 H MET 954 H MET 954 -2.765 14.613 5.117 270 HA MET 954 HA MET 954 -4.491 12.389 4.855 271 1HB MET 954 HB1 MET 954 -4.923 13.086 2.614 272 2HB MET 954 HB2 MET 954 -4.712 14.547 3.565 273 1HG MET 954 HG1 MET 954 -2.436 14.764 2.727 274 2HG MET 954 HG2 MET 954 -2.652 13.304 1.763 275 1HE MET 954 HE1 MET 954 -5.291 16.114 2.456 276 2HE MET 954 HE2 MET 954 -3.777 17.009 2.335 277 3HE MET 954 HE3 MET 954 -5.017 17.201 1.096 278 H VAL 955 H VAL 955 -1.264 13.061 3.559 279 HA VAL 955 HA VAL 955 -0.818 10.485 2.559 280 HB VAL 955 HB VAL 955 1.228 12.430 3.633 281 1HG1 VAL 955 1HG1 VAL 955 2.807 11.156 2.257 282 2HG1 VAL 955 2HG1 VAL 955 2.096 10.158 3.525 283 3HG1 VAL 955 3HG1 VAL 955 1.529 10.006 1.863 284 1HG2 VAL 955 1HG2 VAL 955 -0.135 13.335 1.814 285 2HG2 VAL 955 2HG2 VAL 955 1.517 13.026 1.275 286 3HG2 VAL 955 3HG2 VAL 955 0.222 11.915 0.832 287 H LYS 956 H LYS 956 -0.735 11.732 5.813 288 HA LYS 956 HA LYS 956 0.687 9.563 6.983 289 1HB LYS 956 HB1 LYS 956 0.196 11.744 8.110 290 2HB LYS 956 HB2 LYS 956 -1.486 11.249 8.237 291 1HG LYS 956 HG1 LYS 956 -0.434 10.864 10.333 292 2HG LYS 956 HG2 LYS 956 -0.748 9.299 9.584 293 1HD LYS 956 HD1 LYS 956 1.583 9.191 8.841 294 2HD LYS 956 HD2 LYS 956 1.893 10.758 9.588 295 1HE LYS 956 HE1 LYS 956 1.119 8.199 10.981 296 2HE LYS 956 HE2 LYS 956 2.676 9.022 11.059 297 1HZ LYS 956 HZ1 LYS 956 1.443 10.953 12.041 298 2HZ LYS 956 HZ2 LYS 956 0.087 9.937 12.177 299 3HZ LYS 956 HZ3 LYS 956 1.507 9.569 13.021 300 H GLU 957 H GLU 957 -2.661 10.149 6.181 301 HA GLU 957 HA GLU 957 -3.879 7.897 7.200 302 1HB GLU 957 HB1 GLU 957 -4.502 9.115 4.498 303 2HB GLU 957 HB2 GLU 957 -5.595 8.178 5.505 304 1HG GLU 957 HG1 GLU 957 -4.427 10.850 6.247 305 2HG GLU 957 HG2 GLU 957 -6.032 10.596 5.569 306 H VAL 958 H VAL 958 -2.313 8.165 3.943 307 HA VAL 958 HA VAL 958 -2.510 5.375 3.465 308 HB VAL 958 HB VAL 958 -1.140 5.647 1.573 309 1HG1 VAL 958 1HG1 VAL 958 -3.264 6.782 1.378 310 2HG1 VAL 958 2HG1 VAL 958 -2.564 8.262 2.033 311 3HG1 VAL 958 3HG1 VAL 958 -2.025 7.647 0.471 312 1HG2 VAL 958 1HG2 VAL 958 0.318 7.560 1.169 313 2HG2 VAL 958 2HG2 VAL 958 -0.098 8.222 2.751 314 3HG2 VAL 958 3HG2 VAL 958 0.785 6.699 2.636 315 H GLY 959 H GLY 959 -0.245 7.256 5.332 316 1HA GLY 959 HA1 GLY 959 1.890 5.379 5.296 317 2HA GLY 959 HA2 GLY 959 1.651 6.637 6.494 318 H LEU 960 H LEU 960 -0.622 6.008 7.715 319 HA LEU 960 HA LEU 960 -0.197 3.745 9.300 320 1HB LEU 960 HB1 LEU 960 -1.709 5.787 9.696 321 2HB LEU 960 HB2 LEU 960 -2.904 4.949 8.733 322 HG LEU 960 HG LEU 960 -3.088 4.815 11.286 323 1HD1 LEU 960 1HD1 LEU 960 -4.411 3.436 9.779 324 2HD1 LEU 960 2HD1 LEU 960 -3.095 2.266 9.684 325 3HD1 LEU 960 3HD1 LEU 960 -3.929 2.532 11.215 326 1HD2 LEU 960 1HD2 LEU 960 -0.853 2.846 10.835 327 2HD2 LEU 960 2HD2 LEU 960 -0.777 4.329 11.785 328 3HD2 LEU 960 3HD2 LEU 960 -1.795 2.993 12.319 329 H ALA 961 H ALA 961 -1.849 4.136 6.280 330 HA ALA 961 HA ALA 961 -3.185 1.698 6.120 331 1HB ALA 961 HB1 ALA 961 -1.855 3.188 3.868 332 2HB ALA 961 HB2 ALA 961 -3.067 1.918 3.697 333 3HB ALA 961 HB3 ALA 961 -3.493 3.445 4.468 334 H LEU 962 H LEU 962 0.135 2.369 4.774 335 HA LEU 962 HA LEU 962 0.680 -0.336 4.293 336 1HB LEU 962 HB1 LEU 962 1.993 1.508 3.363 337 2HB LEU 962 HB2 LEU 962 2.646 1.852 4.952 338 HG LEU 962 HG LEU 962 4.088 0.557 3.243 339 1HD1 LEU 962 1HD1 LEU 962 3.759 -0.505 6.043 340 2HD1 LEU 962 2HD1 LEU 962 5.165 -0.740 5.005 341 3HD1 LEU 962 3HD1 LEU 962 4.742 0.880 5.564 342 1HD2 LEU 962 1HD2 LEU 962 2.390 -1.071 2.609 343 2HD2 LEU 962 2HD2 LEU 962 3.814 -1.858 3.287 344 3HD2 LEU 962 3HD2 LEU 962 2.355 -1.687 4.263 345 H ARG 963 H ARG 963 1.351 1.561 7.280 346 HA ARG 963 HA ARG 963 2.600 -0.363 8.791 347 1HB ARG 963 HB1 ARG 963 0.397 1.513 9.669 348 2HB ARG 963 HB2 ARG 963 1.428 0.616 10.768 349 1HG ARG 963 HG1 ARG 963 2.452 2.617 8.770 350 2HG ARG 963 HG2 ARG 963 2.051 3.005 10.442 351 1HD ARG 963 HD1 ARG 963 4.322 2.632 10.571 352 2HD ARG 963 HD2 ARG 963 3.668 1.056 11.009 353 HE ARG 963 HE ARG 963 4.247 1.350 8.203 354 1HH1 ARG 963 2HH1 ARG 963 5.526 0.473 11.336 355 2HH1 ARG 963 1HH1 ARG 963 6.831 -0.475 10.687 356 1HH2 ARG 963 2HH2 ARG 963 6.001 0.145 7.337 357 2HH2 ARG 963 1HH2 ARG 963 7.113 -0.632 8.412 358 H THR 964 H THR 964 -0.913 0.105 8.696 359 HA THR 964 HA THR 964 -1.724 -2.232 9.926 360 HB THR 964 HB THR 964 -3.171 -1.078 7.542 361 HG1 THR 964 HG1 THR 964 -2.810 0.699 8.780 362 1HG2 THR 964 1HG2 THR 964 -4.154 -2.344 10.104 363 2HG2 THR 964 2HG2 THR 964 -5.167 -1.736 8.795 364 3HG2 THR 964 3HG2 THR 964 -4.114 -3.127 8.526 365 H LEU 965 H LEU 965 -0.810 -1.773 6.551 366 HA LEU 965 HA LEU 965 -1.494 -4.395 5.681 367 1HB LEU 965 HB1 LEU 965 -0.063 -2.098 4.538 368 2HB LEU 965 HB2 LEU 965 0.433 -3.664 3.923 369 HG LEU 965 HG LEU 965 -1.991 -4.118 3.415 370 1HD1 LEU 965 1HD1 LEU 965 -3.008 -2.493 4.879 371 2HD1 LEU 965 2HD1 LEU 965 -2.235 -1.174 4.000 372 3HD1 LEU 965 3HD1 LEU 965 -3.463 -2.165 3.210 373 1HD2 LEU 965 1HD2 LEU 965 -0.451 -3.555 1.669 374 2HD2 LEU 965 2HD2 LEU 965 -1.964 -2.699 1.384 375 3HD2 LEU 965 3HD2 LEU 965 -0.578 -1.838 2.049 376 H LEU 966 H LEU 966 1.304 -3.027 7.191 377 HA LEU 966 HA LEU 966 3.187 -5.040 6.676 378 1HB LEU 966 HB1 LEU 966 3.654 -2.881 7.856 379 2HB LEU 966 HB2 LEU 966 2.874 -3.538 9.279 380 HG LEU 966 HG LEU 966 5.203 -4.998 8.087 381 1HD1 LEU 966 1HD1 LEU 966 5.401 -2.637 9.953 382 2HD1 LEU 966 2HD1 LEU 966 6.728 -3.691 9.463 383 3HD1 LEU 966 3HD1 LEU 966 5.927 -2.669 8.270 384 1HD2 LEU 966 1HD2 LEU 966 4.195 -4.634 10.910 385 2HD2 LEU 966 2HD2 LEU 966 3.949 -6.056 9.896 386 3HD2 LEU 966 3HD2 LEU 966 5.573 -5.623 10.427 387 H ALA 967 H ALA 967 0.556 -4.886 9.017 388 HA ALA 967 HA ALA 967 1.056 -7.357 10.295 389 1HB ALA 967 HB1 ALA 967 -0.544 -5.719 11.167 390 2HB ALA 967 HB2 ALA 967 -1.607 -6.030 9.794 391 3HB ALA 967 HB3 ALA 967 -1.286 -7.307 10.968 392 H THR 968 H THR 968 -0.780 -6.529 7.387 393 HA THR 968 HA THR 968 -1.597 -9.143 6.698 394 HB THR 968 HB THR 968 -1.147 -6.638 5.105 395 HG1 THR 968 HG1 THR 968 -3.560 -8.032 5.102 396 1HG2 THR 968 1HG2 THR 968 -0.508 -8.470 3.611 397 2HG2 THR 968 2HG2 THR 968 -2.029 -9.291 3.963 398 3HG2 THR 968 3HG2 THR 968 -2.038 -7.745 3.115 399 H VAL 969 H VAL 969 1.311 -7.316 5.864 400 HA VAL 969 HA VAL 969 2.659 -9.180 4.336 401 HB VAL 969 HB VAL 969 3.863 -7.302 6.380 402 1HG1 VAL 969 1HG1 VAL 969 5.163 -8.722 4.059 403 2HG1 VAL 969 2HG1 VAL 969 5.924 -7.482 5.055 404 3HG1 VAL 969 3HG1 VAL 969 5.463 -9.027 5.770 405 1HG2 VAL 969 1HG2 VAL 969 2.551 -6.109 4.750 406 2HG2 VAL 969 2HG2 VAL 969 4.265 -5.854 4.416 407 3HG2 VAL 969 3HG2 VAL 969 3.333 -6.982 3.431 408 H ASP 970 H ASP 970 2.190 -9.138 7.815 409 HA ASP 970 HA ASP 970 4.036 -11.271 8.348 410 1HB ASP 970 HB1 ASP 970 3.476 -9.627 10.084 411 2HB ASP 970 HB2 ASP 970 1.795 -10.140 10.043 412 H GLU 971 H GLU 971 0.596 -11.066 7.763 413 HA GLU 971 HA GLU 971 -0.061 -13.774 8.206 414 1HB GLU 971 HB1 GLU 971 -1.165 -12.041 5.979 415 2HB GLU 971 HB2 GLU 971 -1.950 -13.418 6.738 416 1HG GLU 971 HG1 GLU 971 -1.244 -10.893 8.201 417 2HG GLU 971 HG2 GLU 971 -2.808 -11.175 7.431 418 H SER 972 H SER 972 0.904 -12.103 5.259 419 HA SER 972 HA SER 972 1.256 -14.425 3.705 420 1HB SER 972 HB1 SER 972 0.820 -12.327 2.623 421 2HB SER 972 HB2 SER 972 2.292 -11.621 3.307 422 HG SER 972 HG SER 972 3.374 -13.435 2.136 423 H LEU 973 H LEU 973 3.292 -12.888 6.035 424 HA LEU 973 HA LEU 973 5.820 -13.564 5.138 425 1HB LEU 973 HB1 LEU 973 5.425 -12.176 7.107 426 2HB LEU 973 HB2 LEU 973 4.772 -13.547 7.978 427 HG LEU 973 HG LEU 973 7.071 -14.616 7.729 428 1HD1 LEU 973 1HD1 LEU 973 7.828 -11.776 7.061 429 2HD1 LEU 973 2HD1 LEU 973 8.940 -13.106 7.384 430 3HD1 LEU 973 3HD1 LEU 973 7.904 -13.151 5.957 431 1HD2 LEU 973 1HD2 LEU 973 6.259 -13.725 9.832 432 2HD2 LEU 973 2HD2 LEU 973 7.973 -13.359 9.630 433 3HD2 LEU 973 3HD2 LEU 973 6.766 -12.102 9.361 434 HA PRO 974 HA PRO 974 5.505 -18.038 6.979 435 1HB PRO 974 HB1 PRO 974 2.581 -18.351 7.346 436 2HB PRO 974 HB2 PRO 974 3.908 -18.943 8.352 437 1HG PRO 974 HG1 PRO 974 2.397 -16.904 9.152 438 2HG PRO 974 HG2 PRO 974 4.147 -16.921 9.457 439 1HD PRO 974 HD1 PRO 974 2.601 -15.451 7.354 440 2HD PRO 974 HD2 PRO 974 3.954 -14.887 8.354 441 H VAL 975 H VAL 975 3.022 -16.486 5.052 442 HA VAL 975 HA VAL 975 2.728 -18.768 3.288 443 HB VAL 975 HB VAL 975 1.955 -15.930 2.647 444 1HG1 VAL 975 1HG1 VAL 975 1.903 -17.503 0.782 445 2HG1 VAL 975 2HG1 VAL 975 0.888 -18.595 1.723 446 3HG1 VAL 975 3HG1 VAL 975 0.273 -17.013 1.242 447 1HG2 VAL 975 1HG2 VAL 975 0.370 -18.026 4.129 448 2HG2 VAL 975 2HG2 VAL 975 1.001 -16.524 4.808 449 3HG2 VAL 975 3HG2 VAL 975 -0.254 -16.476 3.568 450 H LEU 976 H LEU 976 5.226 -16.519 3.688 451 HA LEU 976 HA LEU 976 5.894 -16.497 0.885 452 1HB LEU 976 HB1 LEU 976 7.600 -14.987 1.271 453 2HB LEU 976 HB2 LEU 976 6.337 -14.519 2.377 454 HG LEU 976 HG LEU 976 7.734 -15.809 4.151 455 1HD1 LEU 976 1HD1 LEU 976 9.834 -15.298 2.046 456 2HD1 LEU 976 2HD1 LEU 976 10.146 -15.781 3.713 457 3HD1 LEU 976 3HD1 LEU 976 9.302 -16.879 2.619 458 1HD2 LEU 976 1HD2 LEU 976 8.646 -13.204 2.944 459 2HD2 LEU 976 2HD2 LEU 976 7.383 -13.413 4.158 460 3HD2 LEU 976 3HD2 LEU 976 9.060 -13.783 4.558 461 HA PRO 977 HA PRO 977 9.182 -19.743 2.275 462 1HB PRO 977 HB1 PRO 977 8.257 -21.337 4.325 463 2HB PRO 977 HB2 PRO 977 9.496 -20.090 4.511 464 1HG PRO 977 HG1 PRO 977 6.587 -19.990 5.149 465 2HG PRO 977 HG2 PRO 977 7.958 -19.282 6.022 466 1HD PRO 977 HD1 PRO 977 6.337 -17.808 4.448 467 2HD PRO 977 HD2 PRO 977 8.065 -17.449 4.633 468 H ALA 978 H ALA 978 5.698 -19.884 2.703 469 HA ALA 978 HA ALA 978 5.283 -22.354 1.413 470 1HB ALA 978 HB1 ALA 978 3.510 -21.201 2.640 471 2HB ALA 978 HB2 ALA 978 3.496 -19.923 1.423 472 3HB ALA 978 HB3 ALA 978 3.013 -21.562 0.985 473 H SER 979 H SER 979 4.970 -19.048 0.003 474 HA SER 979 HA SER 979 6.387 -19.815 -2.358 475 1HB SER 979 HB1 SER 979 3.384 -19.789 -2.397 476 2HB SER 979 HB2 SER 979 4.302 -19.406 -3.859 477 HG SER 979 HG SER 979 5.026 -21.703 -2.434 478 H THR 980 H THR 980 4.371 -17.449 -0.714 479 HA THR 980 HA THR 980 4.275 -15.412 -2.617 480 HB THR 980 HB THR 980 4.443 -14.840 0.325 481 HG1 THR 980 HG1 THR 980 2.212 -15.414 0.368 482 1HG2 THR 980 1HG2 THR 980 2.787 -13.674 -1.920 483 2HG2 THR 980 2HG2 THR 980 2.810 -13.119 -0.246 484 3HG2 THR 980 3HG2 THR 980 4.250 -12.949 -1.251 485 H HIS 981 H HIS 981 7.043 -16.363 -0.805 486 HA HIS 981 HA HIS 981 8.373 -14.066 -0.230 487 1HB HIS 981 HB1 HIS 981 10.468 -15.289 -0.411 488 2HB HIS 981 HB2 HIS 981 9.228 -16.299 0.316 489 HD1 HIS 981 HD1 HIS 981 8.825 -18.533 -0.752 490 HD2 HIS 981 HD2 HIS 981 11.047 -15.995 -3.182 491 HE1 HIS 981 HE1 HIS 981 9.562 -19.936 -2.704 492 HE2 HIS 981 HE2 HIS 981 11.035 -18.419 -4.079 493 H ARG 982 H ARG 982 7.712 -15.165 -3.442 494 HA ARG 982 HA ARG 982 9.824 -13.721 -4.737 495 1HB ARG 982 HB1 ARG 982 8.695 -15.517 -5.914 496 2HB ARG 982 HB2 ARG 982 7.146 -14.704 -5.744 497 1HG ARG 982 HG1 ARG 982 8.371 -12.789 -7.057 498 2HG ARG 982 HG2 ARG 982 9.407 -14.119 -7.580 499 1HD ARG 982 HD1 ARG 982 7.395 -15.343 -8.326 500 2HD ARG 982 HD2 ARG 982 6.408 -13.955 -7.875 501 HE ARG 982 HE ARG 982 8.564 -13.635 -9.851 502 1HH1 ARG 982 2HH1 ARG 982 5.154 -13.403 -8.986 503 2HH1 ARG 982 1HH1 ARG 982 4.687 -12.803 -10.550 504 1HH2 ARG 982 2HH2 ARG 982 7.914 -12.824 -11.888 505 2HH2 ARG 982 1HH2 ARG 982 6.231 -12.476 -12.175 506 H GLU 983 H GLU 983 6.313 -13.082 -4.462 507 HA GLU 983 HA GLU 983 6.736 -10.380 -5.328 508 1HB GLU 983 HB1 GLU 983 4.453 -12.107 -5.176 509 2HB GLU 983 HB2 GLU 983 4.108 -10.543 -4.462 510 1HG GLU 983 HG1 GLU 983 4.262 -9.431 -6.371 511 2HG GLU 983 HG2 GLU 983 5.636 -10.385 -6.934 512 H ILE 984 H ILE 984 6.088 -11.943 -2.279 513 HA ILE 984 HA ILE 984 5.224 -9.636 -0.929 514 HB ILE 984 HB ILE 984 5.002 -11.994 -0.089 515 1HG1 ILE 984 1HG1 ILE 984 5.279 -11.375 2.291 516 2HG1 ILE 984 2HG1 ILE 984 6.253 -9.988 1.816 517 1HG2 ILE 984 1HG2 ILE 984 7.284 -12.738 -0.472 518 2HG2 ILE 984 2HG2 ILE 984 7.889 -11.571 0.704 519 3HG2 ILE 984 3HG2 ILE 984 6.866 -12.909 1.233 520 1HD1 ILE 984 1HD1 ILE 984 3.990 -9.327 2.368 521 2HD1 ILE 984 2HD1 ILE 984 4.331 -9.034 0.662 522 3HD1 ILE 984 3HD1 ILE 984 3.356 -10.424 1.140 523 H GLU 985 H GLU 985 8.382 -10.772 -1.856 524 HA GLU 985 HA GLU 985 9.779 -8.730 -0.421 525 1HB GLU 985 HB1 GLU 985 10.524 -10.544 -2.687 526 2HB GLU 985 HB2 GLU 985 11.567 -9.203 -2.237 527 1HG GLU 985 HG1 GLU 985 11.366 -10.207 0.151 528 2HG GLU 985 HG2 GLU 985 10.890 -11.669 -0.715 529 H MET 986 H MET 986 8.557 -9.059 -3.757 530 HA MET 986 HA MET 986 9.825 -6.719 -4.654 531 1HB MET 986 HB1 MET 986 8.751 -6.928 -6.705 532 2HB MET 986 HB2 MET 986 8.984 -8.570 -6.134 533 1HG MET 986 HG1 MET 986 6.711 -8.819 -5.615 534 2HG MET 986 HG2 MET 986 6.408 -7.087 -5.753 535 1HE MET 986 HE1 MET 986 7.499 -9.709 -9.397 536 2HE MET 986 HE2 MET 986 8.642 -9.211 -8.149 537 3HE MET 986 HE3 MET 986 7.362 -10.362 -7.764 538 H ALA 987 H ALA 987 6.536 -7.219 -3.509 539 HA ALA 987 HA ALA 987 5.799 -4.505 -3.993 540 1HB ALA 987 HB1 ALA 987 4.379 -6.644 -2.433 541 2HB ALA 987 HB2 ALA 987 3.699 -5.097 -2.939 542 3HB ALA 987 HB3 ALA 987 4.161 -6.296 -4.148 543 H GLN 988 H GLN 988 6.581 -6.450 -1.098 544 HA GLN 988 HA GLN 988 5.886 -4.406 0.697 545 1HB GLN 988 HB1 GLN 988 6.114 -6.744 1.402 546 2HB GLN 988 HB2 GLN 988 7.843 -6.674 1.119 547 1HG GLN 988 HG1 GLN 988 6.542 -4.812 3.065 548 2HG GLN 988 HG2 GLN 988 6.944 -6.463 3.526 549 1HE2 GLN 988 2HE2 GLN 988 7.997 -3.924 4.514 550 2HE2 GLN 988 1HE2 GLN 988 9.706 -3.985 4.263 551 H LYS 989 H LYS 989 9.048 -5.274 -0.719 552 HA LYS 989 HA LYS 989 10.523 -3.206 0.506 553 1HB LYS 989 HB1 LYS 989 10.889 -4.710 -2.080 554 2HB LYS 989 HB2 LYS 989 11.990 -3.428 -1.601 555 1HG LYS 989 HG1 LYS 989 12.543 -4.661 0.436 556 2HG LYS 989 HG2 LYS 989 11.439 -5.951 -0.050 557 1HD LYS 989 HD1 LYS 989 12.780 -6.542 -1.898 558 2HD LYS 989 HD2 LYS 989 13.705 -5.044 -1.806 559 1HE LYS 989 HE1 LYS 989 15.085 -6.796 -0.971 560 2HE LYS 989 HE2 LYS 989 14.587 -5.810 0.399 561 1HZ LYS 989 HZ1 LYS 989 12.775 -7.534 0.728 562 2HZ LYS 989 HZ2 LYS 989 13.639 -8.513 -0.354 563 3HZ LYS 989 HZ3 LYS 989 14.358 -8.009 1.093 564 H LEU 990 H LEU 990 8.435 -3.324 -2.272 565 HA LEU 990 HA LEU 990 9.090 -0.751 -3.298 566 1HB LEU 990 HB1 LEU 990 8.226 -2.103 -4.917 567 2HB LEU 990 HB2 LEU 990 7.127 -2.905 -3.820 568 HG LEU 990 HG LEU 990 5.612 -1.005 -3.935 569 1HD1 LEU 990 1HD1 LEU 990 7.553 0.087 -5.981 570 2HD1 LEU 990 2HD1 LEU 990 5.952 0.743 -5.639 571 3HD1 LEU 990 3HD1 LEU 990 7.208 0.792 -4.402 572 1HD2 LEU 990 1HD2 LEU 990 5.258 -2.831 -5.431 573 2HD2 LEU 990 2HD2 LEU 990 4.910 -1.326 -6.279 574 3HD2 LEU 990 3HD2 LEU 990 6.426 -2.177 -6.579 575 H LEU 991 H LEU 991 6.603 -1.976 -1.080 576 HA LEU 991 HA LEU 991 5.077 0.386 -0.833 577 1HB LEU 991 HB1 LEU 991 5.635 -1.546 1.412 578 2HB LEU 991 HB2 LEU 991 4.244 -0.497 1.218 579 HG LEU 991 HG LEU 991 4.719 -2.609 -0.825 580 1HD1 LEU 991 1HD1 LEU 991 3.502 -3.080 1.901 581 2HD1 LEU 991 2HD1 LEU 991 3.504 -4.222 0.559 582 3HD1 LEU 991 3HD1 LEU 991 5.025 -3.756 1.320 583 1HD2 LEU 991 1HD2 LEU 991 2.249 -1.466 0.482 584 2HD2 LEU 991 2HD2 LEU 991 2.907 -0.971 -1.078 585 3HD2 LEU 991 3HD2 LEU 991 2.281 -2.606 -0.863 586 H ASN 992 H ASN 992 7.751 -0.916 1.120 587 HA ASN 992 HA ASN 992 8.000 1.165 2.931 588 1HB ASN 992 HB1 ASN 992 9.145 -0.972 3.198 589 2HB ASN 992 HB2 ASN 992 10.093 -0.681 1.747 590 1HD2 ASN 992 2HD2 ASN 992 12.040 -0.862 2.777 591 2HD2 ASN 992 1HD2 ASN 992 12.633 0.327 3.883 592 H SER 993 H SER 993 9.461 0.720 -0.264 593 HA SER 993 HA SER 993 11.136 2.974 -0.138 594 1HB SER 993 HB1 SER 993 10.007 1.556 -2.561 595 2HB SER 993 HB2 SER 993 11.355 2.694 -2.579 596 HG SER 993 HG SER 993 11.221 0.085 -1.535 597 H ASP 994 H ASP 994 7.798 2.615 -1.421 598 HA ASP 994 HA ASP 994 8.078 5.369 -2.403 599 1HB ASP 994 HB1 ASP 994 6.463 3.063 -3.355 600 2HB ASP 994 HB2 ASP 994 5.867 4.695 -3.660 601 H LEU 995 H LEU 995 5.837 3.371 -0.494 602 HA LEU 995 HA LEU 995 4.036 5.445 0.057 603 1HB LEU 995 HB1 LEU 995 3.577 3.068 0.578 604 2HB LEU 995 HB2 LEU 995 4.775 3.126 1.852 605 HG LEU 995 HG LEU 995 2.734 5.182 2.133 606 1HD1 LEU 995 1HD1 LEU 995 0.966 3.635 2.827 607 2HD1 LEU 995 2HD1 LEU 995 1.321 3.516 1.103 608 3HD1 LEU 995 3HD1 LEU 995 1.925 2.288 2.217 609 1HD2 LEU 995 1HD2 LEU 995 3.929 3.032 3.858 610 2HD2 LEU 995 2HD2 LEU 995 4.233 4.769 3.916 611 3HD2 LEU 995 3HD2 LEU 995 2.671 4.128 4.417 612 H ALA 996 H ALA 996 7.000 4.418 1.670 613 HA ALA 996 HA ALA 996 6.969 6.364 3.695 614 1HB ALA 996 HB1 ALA 996 9.346 5.091 2.357 615 2HB ALA 996 HB2 ALA 996 9.429 6.081 3.817 616 3HB ALA 996 HB3 ALA 996 8.542 4.554 3.832 617 H GLU 997 H GLU 997 8.387 6.543 0.423 618 HA GLU 997 HA GLU 997 9.374 9.083 0.505 619 1HB GLU 997 HB1 GLU 997 7.874 7.732 -1.721 620 2HB GLU 997 HB2 GLU 997 8.656 9.296 -1.902 621 1HG GLU 997 HG1 GLU 997 10.061 6.811 -1.031 622 2HG GLU 997 HG2 GLU 997 9.976 7.360 -2.707 623 H LEU 998 H LEU 998 5.997 8.157 -0.059 624 HA LEU 998 HA LEU 998 5.086 10.739 -0.708 625 1HB LEU 998 HB1 LEU 998 3.815 8.211 0.166 626 2HB LEU 998 HB2 LEU 998 2.876 9.677 0.391 627 HG LEU 998 HG LEU 998 2.340 8.578 -1.729 628 1HD1 LEU 998 1HD1 LEU 998 3.808 11.192 -2.052 629 2HD1 LEU 998 2HD1 LEU 998 2.621 10.532 -3.177 630 3HD1 LEU 998 3HD1 LEU 998 2.129 10.999 -1.549 631 1HD2 LEU 998 1HD2 LEU 998 5.219 9.125 -2.428 632 2HD2 LEU 998 2HD2 LEU 998 4.513 7.536 -2.130 633 3HD2 LEU 998 3HD2 LEU 998 3.988 8.488 -3.519 634 H ILE 999 H ILE 999 5.542 9.076 2.293 635 HA ILE 999 HA ILE 999 4.129 10.808 4.009 636 HB ILE 999 HB ILE 999 6.617 9.197 4.605 637 1HG1 ILE 999 1HG1 ILE 999 3.695 8.563 5.084 638 2HG1 ILE 999 2HG1 ILE 999 4.686 7.869 3.804 639 1HG2 ILE 999 1HG2 ILE 999 5.963 9.371 6.958 640 2HG2 ILE 999 2HG2 ILE 999 6.296 10.957 6.262 641 3HG2 ILE 999 3HG2 ILE 999 4.630 10.434 6.508 642 1HD1 ILE 999 1HD1 ILE 999 6.123 6.833 5.490 643 2HD1 ILE 999 2HD1 ILE 999 5.117 7.523 6.764 644 3HD1 ILE 999 3HD1 ILE 999 4.442 6.326 5.658 645 H ASN1000 H ASN1000 7.442 10.891 2.850 646 HA ASN1000 HA ASN1000 7.958 13.406 4.285 647 1HB ASN1000 HB1 ASN1000 9.881 11.879 2.521 648 2HB ASN1000 HB2 ASN1000 10.269 13.126 3.698 649 1HD2 ASN1000 2HD2 ASN1000 9.571 9.811 3.164 650 2HD2 ASN1000 1HD2 ASN1000 9.895 9.257 4.762 651 H LYS1001 H LYS1001 6.819 12.393 1.296 652 HA LYS1001 HA LYS1001 8.130 14.507 -0.196 653 1HB LYS1001 HB1 LYS1001 6.355 12.238 -0.997 654 2HB LYS1001 HB2 LYS1001 6.537 13.616 -2.074 655 1HG LYS1001 HG1 LYS1001 8.759 11.865 -1.031 656 2HG LYS1001 HG2 LYS1001 8.100 11.863 -2.668 657 1HD LYS1001 HD1 LYS1001 8.838 14.166 -2.981 658 2HD LYS1001 HD2 LYS1001 9.466 14.200 -1.335 659 1HE LYS1001 HE1 LYS1001 10.425 12.352 -3.520 660 2HE LYS1001 HE2 LYS1001 11.225 13.845 -3.034 661 1HZ LYS1001 HZ1 LYS1001 11.263 12.766 -0.719 662 2HZ LYS1001 HZ2 LYS1001 10.973 11.308 -1.542 663 3HZ LYS1001 HZ3 LYS1001 12.362 12.210 -1.883 664 H MET1002 H MET1002 4.805 13.754 0.936 665 HA MET1002 HA MET1002 3.905 16.311 -0.027 666 1HB MET1002 HB1 MET1002 2.255 14.550 0.255 667 2HB MET1002 HB2 MET1002 2.667 14.406 1.963 668 1HG MET1002 HG1 MET1002 0.714 15.675 1.925 669 2HG MET1002 HG2 MET1002 2.014 16.842 2.174 670 1HE MET1002 HE1 MET1002 -0.732 16.438 -1.457 671 2HE MET1002 HE2 MET1002 0.126 15.040 -0.811 672 3HE MET1002 HE3 MET1002 -1.045 15.894 0.193 673 H LYS1003 H LYS1003 5.039 14.858 2.974 674 HA LYS1003 HA LYS1003 4.888 17.059 4.644 675 1HB LYS1003 HB1 LYS1003 5.699 14.815 5.336 676 2HB LYS1003 HB2 LYS1003 7.189 15.103 4.445 677 1HG LYS1003 HG1 LYS1003 7.667 17.017 5.902 678 2HG LYS1003 HG2 LYS1003 6.200 16.667 6.819 679 1HD LYS1003 HD1 LYS1003 7.076 14.489 7.440 680 2HD LYS1003 HD2 LYS1003 8.516 14.765 6.458 681 1HE LYS1003 HE1 LYS1003 9.088 15.179 8.736 682 2HE LYS1003 HE2 LYS1003 9.039 16.727 7.896 683 1HZ LYS1003 HZ1 LYS1003 6.940 15.621 9.686 684 2HZ LYS1003 HZ2 LYS1003 7.973 16.924 10.016 685 3HZ LYS1003 HZ3 LYS1003 6.794 17.064 8.812 686 H LEU1004 H LEU1004 7.596 16.119 2.504 687 HA LEU1004 HA LEU1004 9.140 18.378 2.626 688 1HB LEU1004 HB1 LEU1004 9.505 16.193 1.326 689 2HB LEU1004 HB2 LEU1004 8.613 16.959 0.032 690 HG LEU1004 HG LEU1004 11.127 18.155 1.187 691 1HD1 LEU1004 1HD1 LEU1004 11.632 15.927 0.338 692 2HD1 LEU1004 2HD1 LEU1004 10.846 16.325 -1.189 693 3HD1 LEU1004 3HD1 LEU1004 12.316 17.173 -0.707 694 1HD2 LEU1004 1HD2 LEU1004 11.212 19.346 -0.951 695 2HD2 LEU1004 2HD2 LEU1004 9.710 18.567 -1.447 696 3HD2 LEU1004 3HD2 LEU1004 9.711 19.696 -0.092 697 H ALA1005 H ALA1005 6.474 17.792 0.310 698 HA ALA1005 HA ALA1005 6.691 20.199 -1.067 699 1HB ALA1005 HB1 ALA1005 5.250 18.353 -1.805 700 2HB ALA1005 HB2 ALA1005 4.161 18.661 -0.452 701 3HB ALA1005 HB3 ALA1005 4.356 19.872 -1.722 702 H GLN1006 H GLN1006 4.611 19.389 1.657 703 HA GLN1006 HA GLN1006 3.687 22.043 2.040 704 1HB GLN1006 HB1 GLN1006 3.606 19.631 3.878 705 2HB GLN1006 HB2 GLN1006 2.663 21.109 4.098 706 1HG GLN1006 HG1 GLN1006 2.374 18.936 2.101 707 2HG GLN1006 HG2 GLN1006 1.161 19.693 3.134 708 1HE2 GLN1006 2HE2 GLN1006 0.463 21.831 2.579 709 2HE2 GLN1006 1HE2 GLN1006 0.506 22.357 0.936 710 H GLN1007 H GLN1007 6.613 20.559 2.734 711 HA GLN1007 HA GLN1007 7.159 22.197 5.052 712 1HB GLN1007 HB1 GLN1007 7.895 19.647 4.409 713 2HB GLN1007 HB2 GLN1007 9.300 20.559 3.889 714 1HG GLN1007 HG1 GLN1007 9.582 19.733 6.146 715 2HG GLN1007 HG2 GLN1007 9.525 21.498 6.137 716 1HE2 GLN1007 2HE2 GLN1007 6.664 19.549 5.693 717 2HE2 GLN1007 1HE2 GLN1007 5.936 19.930 7.224 718 H TYR1008 H TYR1008 7.787 22.001 1.702 719 HA TYR1008 HA TYR1008 9.965 23.944 1.816 720 1HB TYR1008 HB1 TYR1008 10.072 21.863 0.425 721 2HB TYR1008 HB2 TYR1008 8.719 22.464 -0.515 722 HD1 TYR1008 HD1 TYR1008 9.397 22.982 -2.605 723 HD2 TYR1008 HD2 TYR1008 11.902 24.054 0.661 724 HE1 TYR1008 HE1 TYR1008 10.964 24.070 -4.168 725 HE2 TYR1008 HE2 TYR1008 13.468 25.155 -0.886 726 HH TYR1008 HH TYR1008 12.699 25.861 -4.097 727 H VAL1009 H VAL1009 6.750 23.884 1.874 728 HA VAL1009 HA VAL1009 5.377 25.314 0.193 729 HB VAL1009 HB VAL1009 4.428 24.672 2.285 730 1HG1 VAL1009 1HG1 VAL1009 6.097 26.830 3.568 731 2HG1 VAL1009 2HG1 VAL1009 4.857 25.874 4.378 732 3HG1 VAL1009 3HG1 VAL1009 6.310 25.090 3.758 733 1HG2 VAL1009 1HG2 VAL1009 4.244 27.664 1.945 734 2HG2 VAL1009 2HG2 VAL1009 3.270 26.453 1.110 735 3HG2 VAL1009 3HG2 VAL1009 3.111 26.665 2.854 736 H MET1010 H MET1010 5.857 26.944 -1.079 737 HA MET1010 HA MET1010 7.003 29.374 0.112 738 1HB MET1010 HB1 MET1010 7.857 28.496 -2.110 739 2HB MET1010 HB2 MET1010 6.297 28.932 -2.792 740 1HG MET1010 HG1 MET1010 6.698 31.275 -2.100 741 2HG MET1010 HG2 MET1010 8.306 30.801 -1.553 742 1HE MET1010 HE1 MET1010 9.528 32.543 -3.026 743 2HE MET1010 HE2 MET1010 9.234 32.782 -4.749 744 3HE MET1010 HE3 MET1010 7.975 33.172 -3.575 745 H THR1011 H THR1011 4.634 29.232 -2.501 746 HA THR1011 HA THR1011 2.428 29.865 -0.754 747 HB THR1011 HB THR1011 3.246 31.869 -2.875 748 HG1 THR1011 HG1 THR1011 3.884 31.644 -0.254 749 1HG2 THR1011 1HG2 THR1011 0.910 31.866 -0.957 750 2HG2 THR1011 2HG2 THR1011 1.344 33.185 -2.045 751 3HG2 THR1011 3HG2 THR1011 0.817 31.635 -2.702 752 H SER1012 H SER1012 2.806 30.636 -4.197 753 HA SER1012 HA SER1012 0.651 28.773 -4.811 754 1HB SER1012 HB1 SER1012 2.112 30.698 -6.638 755 2HB SER1012 HB2 SER1012 0.620 29.834 -7.005 756 HG SER1012 HG SER1012 0.955 32.166 -5.701 757 H LEU1013 H LEU1013 4.044 28.972 -4.895 758 HA LEU1013 HA LEU1013 4.517 27.018 -6.920 759 1HB LEU1013 HB1 LEU1013 6.148 28.765 -6.002 760 2HB LEU1013 HB2 LEU1013 6.363 27.687 -4.637 761 HG LEU1013 HG LEU1013 7.165 25.925 -6.185 762 1HD1 LEU1013 1HD1 LEU1013 6.986 28.107 -8.258 763 2HD1 LEU1013 2HD1 LEU1013 7.742 26.530 -8.484 764 3HD1 LEU1013 3HD1 LEU1013 6.005 26.642 -8.199 765 1HD2 LEU1013 1HD2 LEU1013 8.765 27.352 -5.047 766 2HD2 LEU1013 2HD2 LEU1013 9.331 26.964 -6.671 767 3HD2 LEU1013 3HD2 LEU1013 8.640 28.551 -6.335 768 H GLN1014 H GLN1014 3.123 26.806 -3.922 769 HA GLN1014 HA GLN1014 4.159 24.477 -2.785 770 1HB GLN1014 HB1 GLN1014 2.494 26.023 -1.721 771 2HB GLN1014 HB2 GLN1014 1.258 25.338 -2.768 772 1HG GLN1014 HG1 GLN1014 1.446 24.442 -0.375 773 2HG GLN1014 HG2 GLN1014 1.317 23.266 -1.686 774 1HE2 GLN1014 2HE2 GLN1014 2.989 21.946 -2.132 775 2HE2 GLN1014 1HE2 GLN1014 4.452 21.907 -1.197 776 H GLN1015 H GLN1015 1.777 24.924 -5.303 777 HA GLN1015 HA GLN1015 1.040 22.178 -5.401 778 1HB GLN1015 HB1 GLN1015 -0.190 22.697 -7.392 779 2HB GLN1015 HB2 GLN1015 -0.492 23.907 -6.164 780 1HG GLN1015 HG1 GLN1015 0.982 25.460 -7.278 781 2HG GLN1015 HG2 GLN1015 1.390 24.241 -8.486 782 1HE2 GLN1015 2HE2 GLN1015 0.647 25.541 -10.158 783 2HE2 GLN1015 1HE2 GLN1015 -1.039 25.805 -10.441 784 H GLU1016 H GLU1016 3.456 24.106 -7.088 785 HA GLU1016 HA GLU1016 4.503 22.246 -8.821 786 1HB GLU1016 HB1 GLU1016 5.622 24.284 -8.799 787 2HB GLU1016 HB2 GLU1016 5.788 24.291 -7.049 788 1HG GLU1016 HG1 GLU1016 7.929 23.882 -7.778 789 2HG GLU1016 HG2 GLU1016 7.343 22.279 -7.391 790 H TYR1017 H TYR1017 5.299 22.519 -5.335 791 HA TYR1017 HA TYR1017 6.923 20.200 -5.299 792 1HB TYR1017 HB1 TYR1017 5.439 21.026 -2.808 793 2HB TYR1017 HB2 TYR1017 7.082 20.438 -2.989 794 HD1 TYR1017 HD1 TYR1017 7.686 22.581 -5.263 795 HD2 TYR1017 HD2 TYR1017 6.101 22.750 -1.297 796 HE1 TYR1017 HE1 TYR1017 8.475 24.898 -5.047 797 HE2 TYR1017 HE2 TYR1017 6.867 25.058 -1.104 798 HH TYR1017 HH TYR1017 8.587 26.510 -2.061 799 H LYS1018 H LYS1018 3.581 20.797 -5.179 800 HA LYS1018 HA LYS1018 2.714 18.239 -4.251 801 1HB LYS1018 HB1 LYS1018 1.303 20.205 -4.016 802 2HB LYS1018 HB2 LYS1018 1.255 20.416 -5.758 803 1HG LYS1018 HG1 LYS1018 -0.816 19.470 -5.012 804 2HG LYS1018 HG2 LYS1018 0.065 18.262 -5.948 805 1HD LYS1018 HD1 LYS1018 0.808 17.185 -3.899 806 2HD LYS1018 HD2 LYS1018 0.000 18.426 -2.938 807 1HE LYS1018 HE1 LYS1018 -1.330 16.376 -3.055 808 2HE LYS1018 HE2 LYS1018 -2.159 17.728 -3.821 809 1HZ LYS1018 HZ1 LYS1018 -0.593 15.693 -5.301 810 2HZ LYS1018 HZ2 LYS1018 -2.271 15.624 -5.094 811 3HZ LYS1018 HZ3 LYS1018 -1.573 16.904 -5.967 812 H LYS1019 H LYS1019 3.669 19.502 -7.371 813 HA LYS1019 HA LYS1019 2.350 17.526 -8.963 814 1HB LYS1019 HB1 LYS1019 4.887 19.064 -9.580 815 2HB LYS1019 HB2 LYS1019 3.909 18.186 -10.745 816 1HG LYS1019 HG1 LYS1019 3.069 20.626 -9.196 817 2HG LYS1019 HG2 LYS1019 3.514 20.567 -10.900 818 1HD LYS1019 HD1 LYS1019 1.616 19.079 -11.337 819 2HD LYS1019 HD2 LYS1019 1.168 19.156 -9.633 820 1HE LYS1019 HE1 LYS1019 -0.202 20.685 -10.915 821 2HE LYS1019 HE2 LYS1019 0.868 21.589 -9.843 822 1HZ LYS1019 HZ1 LYS1019 2.351 21.983 -11.716 823 2HZ LYS1019 HZ2 LYS1019 1.311 21.118 -12.741 824 3HZ LYS1019 HZ3 LYS1019 0.794 22.575 -12.047 825 H GLN1020 H GLN1020 5.787 17.893 -8.182 826 HA GLN1020 HA GLN1020 6.705 15.375 -8.642 827 1HB GLN1020 HB1 GLN1020 7.445 17.371 -6.528 828 2HB GLN1020 HB2 GLN1020 8.237 15.803 -6.576 829 1HG GLN1020 HG1 GLN1020 9.556 17.490 -7.719 830 2HG GLN1020 HG2 GLN1020 9.009 16.247 -8.842 831 1HE2 GLN1020 2HE2 GLN1020 8.690 19.565 -7.864 832 2HE2 GLN1020 1HE2 GLN1020 7.823 20.115 -9.261 833 H MET1021 H MET1021 4.838 16.423 -5.846 834 HA MET1021 HA MET1021 4.994 13.999 -4.400 835 1HB MET1021 HB1 MET1021 4.264 15.997 -3.276 836 2HB MET1021 HB2 MET1021 2.921 16.199 -4.391 837 1HG MET1021 HG1 MET1021 3.119 13.757 -2.676 838 2HG MET1021 HG2 MET1021 2.479 15.264 -2.026 839 1HE MET1021 HE1 MET1021 -0.616 12.815 -2.746 840 2HE MET1021 HE2 MET1021 1.025 12.331 -2.314 841 3HE MET1021 HE3 MET1021 0.252 13.677 -1.476 842 H LEU1022 H LEU1022 2.700 15.189 -6.824 843 HA LEU1022 HA LEU1022 0.873 13.049 -6.622 844 1HB LEU1022 HB1 LEU1022 0.386 15.237 -7.688 845 2HB LEU1022 HB2 LEU1022 1.433 14.793 -9.022 846 HG LEU1022 HG LEU1022 -0.072 12.903 -9.555 847 1HD1 LEU1022 1HD1 LEU1022 -0.996 12.507 -7.345 848 2HD1 LEU1022 2HD1 LEU1022 -1.795 14.079 -7.377 849 3HD1 LEU1022 3HD1 LEU1022 -2.290 12.816 -8.506 850 1HD2 LEU1022 1HD2 LEU1022 -0.348 15.012 -10.712 851 2HD2 LEU1022 2HD2 LEU1022 -1.922 14.271 -10.424 852 3HD2 LEU1022 3HD2 LEU1022 -1.382 15.614 -9.417 853 H THR1023 H THR1023 3.704 13.559 -8.691 854 HA THR1023 HA THR1023 3.487 11.198 -10.209 855 HB THR1023 HB THR1023 6.020 12.627 -9.362 856 HG1 THR1023 HG1 THR1023 4.223 13.036 -11.549 857 1HG2 THR1023 1HG2 THR1023 6.444 10.423 -10.342 858 2HG2 THR1023 2HG2 THR1023 5.448 10.843 -11.735 859 3HG2 THR1023 3HG2 THR1023 6.956 11.707 -11.436 860 H ALA1024 H ALA1024 4.667 11.838 -7.009 861 HA ALA1024 HA ALA1024 5.938 9.266 -6.685 862 1HB ALA1024 HB1 ALA1024 6.249 9.960 -4.349 863 2HB ALA1024 HB2 ALA1024 6.808 11.194 -5.478 864 3HB ALA1024 HB3 ALA1024 5.264 11.391 -4.647 865 H ALA1025 H ALA1025 2.925 10.836 -5.748 866 HA ALA1025 HA ALA1025 1.862 8.811 -4.134 867 1HB ALA1025 HB1 ALA1025 0.328 10.712 -5.908 868 2HB ALA1025 HB2 ALA1025 -0.294 9.846 -4.503 869 3HB ALA1025 HB3 ALA1025 0.932 11.096 -4.295 870 H HIS1026 H HIS1026 1.827 9.257 -7.625 871 HA HIS1026 HA HIS1026 0.142 7.095 -8.252 872 1HB HIS1026 HB1 HIS1026 0.718 8.730 -9.949 873 2HB HIS1026 HB2 HIS1026 2.425 8.323 -9.820 874 HD1 HIS1026 HD1 HIS1026 2.966 7.328 -12.036 875 HD2 HIS1026 HD2 HIS1026 -0.570 5.800 -10.457 876 HE1 HIS1026 HE1 HIS1026 2.254 5.491 -13.604 877 HE2 HIS1026 HE2 HIS1026 0.077 4.622 -12.671 878 H ALA1027 H ALA1027 3.604 7.298 -7.623 879 HA ALA1027 HA ALA1027 4.210 4.619 -8.296 880 1HB ALA1027 HB1 ALA1027 6.306 4.989 -7.105 881 2HB ALA1027 HB2 ALA1027 5.921 6.341 -8.171 882 3HB ALA1027 HB3 ALA1027 5.663 6.487 -6.432 883 H LEU1028 H LEU1028 3.374 6.153 -5.174 884 HA LEU1028 HA LEU1028 3.670 3.698 -3.746 885 1HB LEU1028 HB1 LEU1028 3.761 5.130 -2.054 886 2HB LEU1028 HB2 LEU1028 3.123 6.439 -3.012 887 HG LEU1028 HG LEU1028 1.341 4.398 -1.657 888 1HD1 LEU1028 1HD1 LEU1028 2.524 6.937 -0.580 889 2HD1 LEU1028 2HD1 LEU1028 1.008 6.270 0.029 890 3HD1 LEU1028 3HD1 LEU1028 2.493 5.332 0.149 891 1HD2 LEU1028 1HD2 LEU1028 -0.334 6.158 -1.840 892 2HD2 LEU1028 2HD2 LEU1028 0.846 7.217 -2.609 893 3HD2 LEU1028 3HD2 LEU1028 0.315 5.748 -3.428 894 H ALA1029 H ALA1029 0.901 5.352 -5.208 895 HA ALA1029 HA ALA1029 -1.076 3.556 -4.504 896 1HB ALA1029 HB1 ALA1029 -1.478 5.596 -5.829 897 2HB ALA1029 HB2 ALA1029 -0.787 4.791 -7.240 898 3HB ALA1029 HB3 ALA1029 -2.267 4.172 -6.504 899 H VAL1030 H VAL1030 1.480 3.165 -6.898 900 HA VAL1030 HA VAL1030 0.578 0.672 -7.894 901 HB VAL1030 HB VAL1030 3.343 1.896 -7.914 902 1HG1 VAL1030 1HG1 VAL1030 3.863 0.302 -9.702 903 2HG1 VAL1030 2HG1 VAL1030 3.487 -0.529 -8.192 904 3HG1 VAL1030 3HG1 VAL1030 2.287 -0.459 -9.484 905 1HG2 VAL1030 1HG2 VAL1030 1.702 3.216 -9.119 906 2HG2 VAL1030 2HG2 VAL1030 2.807 2.435 -10.249 907 3HG2 VAL1030 3HG2 VAL1030 1.183 1.788 -10.015 908 H ASP1031 H ASP1031 2.371 1.560 -5.013 909 HA ASP1031 HA ASP1031 3.424 -1.112 -4.690 910 1HB ASP1031 HB1 ASP1031 4.307 -0.484 -2.552 911 2HB ASP1031 HB2 ASP1031 4.656 0.790 -3.700 912 H ALA1032 H ALA1032 0.746 0.742 -3.362 913 HA ALA1032 HA ALA1032 -0.375 -1.265 -1.747 914 1HB ALA1032 HB1 ALA1032 -2.496 -0.058 -2.047 915 2HB ALA1032 HB2 ALA1032 -1.164 1.047 -1.712 916 3HB ALA1032 HB3 ALA1032 -1.775 0.876 -3.357 917 H LYS1033 H LYS1033 -0.916 -0.429 -5.154 918 HA LYS1033 HA LYS1033 -2.777 -2.423 -5.758 919 1HB LYS1033 HB1 LYS1033 -2.523 -0.592 -7.257 920 2HB LYS1033 HB2 LYS1033 -0.814 -0.931 -7.495 921 1HG LYS1033 HG1 LYS1033 -2.099 -1.581 -9.443 922 2HG LYS1033 HG2 LYS1033 -1.395 -3.001 -8.672 923 1HD LYS1033 HD1 LYS1033 -3.552 -3.480 -7.602 924 2HD LYS1033 HD2 LYS1033 -4.253 -2.063 -8.390 925 1HE LYS1033 HE1 LYS1033 -3.784 -3.051 -10.582 926 2HE LYS1033 HE2 LYS1033 -3.068 -4.456 -9.795 927 1HZ LYS1033 HZ1 LYS1033 -5.898 -3.610 -9.462 928 2HZ LYS1033 HZ2 LYS1033 -5.375 -4.814 -10.534 929 3HZ LYS1033 HZ3 LYS1033 -5.183 -5.033 -8.866 930 H ASN1034 H ASN1034 0.769 -2.458 -6.160 931 HA ASN1034 HA ASN1034 0.829 -4.972 -7.428 932 1HB ASN1034 HB1 ASN1034 2.725 -3.302 -7.403 933 2HB ASN1034 HB2 ASN1034 3.064 -3.819 -5.752 934 1HD2 ASN1034 2HD2 ASN1034 5.104 -4.602 -6.325 935 2HD2 ASN1034 1HD2 ASN1034 5.310 -6.053 -7.233 936 H LEU1035 H LEU1035 0.978 -4.043 -4.017 937 HA LEU1035 HA LEU1035 1.760 -6.717 -3.180 938 1HB LEU1035 HB1 LEU1035 2.464 -4.867 -1.763 939 2HB LEU1035 HB2 LEU1035 0.798 -4.318 -1.576 940 HG LEU1035 HG LEU1035 0.373 -6.618 -0.491 941 1HD1 LEU1035 1HD1 LEU1035 2.464 -7.657 -1.201 942 2HD1 LEU1035 2HD1 LEU1035 3.372 -6.497 -0.232 943 3HD1 LEU1035 3HD1 LEU1035 2.299 -7.657 0.555 944 1HD2 LEU1035 1HD2 LEU1035 0.326 -4.564 0.765 945 2HD2 LEU1035 2HD2 LEU1035 1.153 -5.814 1.692 946 3HD2 LEU1035 3HD2 LEU1035 2.086 -4.557 0.879 947 H LEU1036 H LEU1036 -1.255 -4.844 -3.350 948 HA LEU1036 HA LEU1036 -2.871 -6.653 -1.977 949 1HB LEU1036 HB1 LEU1036 -4.769 -5.533 -2.864 950 2HB LEU1036 HB2 LEU1036 -3.545 -4.327 -2.549 951 HG LEU1036 HG LEU1036 -3.040 -4.523 -5.098 952 1HD1 LEU1036 1HD1 LEU1036 -5.861 -5.587 -4.983 953 2HD1 LEU1036 2HD1 LEU1036 -5.016 -5.064 -6.439 954 3HD1 LEU1036 3HD1 LEU1036 -4.442 -6.472 -5.544 955 1HD2 LEU1036 1HD2 LEU1036 -3.924 -2.548 -4.002 956 2HD2 LEU1036 2HD2 LEU1036 -4.740 -2.815 -5.543 957 3HD2 LEU1036 3HD2 LEU1036 -5.545 -3.237 -4.031 958 H ASP1037 H ASP1037 -1.438 -6.829 -5.035 959 HA ASP1037 HA ASP1037 -3.144 -9.080 -5.828 960 1HB ASP1037 HB1 ASP1037 -2.392 -7.180 -7.446 961 2HB ASP1037 HB2 ASP1037 -0.849 -8.030 -7.463 962 H VAL1038 H VAL1038 0.106 -8.161 -4.979 963 HA VAL1038 HA VAL1038 1.513 -10.521 -5.103 964 HB VAL1038 HB VAL1038 1.580 -8.273 -3.109 965 1HG1 VAL1038 1HG1 VAL1038 3.703 -9.176 -2.250 966 2HG1 VAL1038 2HG1 VAL1038 2.328 -10.217 -1.881 967 3HG1 VAL1038 3HG1 VAL1038 3.433 -10.648 -3.185 968 1HG2 VAL1038 1HG2 VAL1038 3.446 -9.136 -5.305 969 2HG2 VAL1038 2HG2 VAL1038 2.352 -7.753 -5.336 970 3HG2 VAL1038 3HG2 VAL1038 3.715 -7.777 -4.215 971 H ILE1039 H ILE1039 -0.259 -9.348 -2.269 972 HA ILE1039 HA ILE1039 0.001 -11.908 -1.000 973 HB ILE1039 HB ILE1039 -1.371 -10.786 0.860 974 1HG1 ILE1039 1HG1 ILE1039 -1.228 -8.346 0.930 975 2HG1 ILE1039 2HG1 ILE1039 -0.516 -8.326 -0.678 976 1HG2 ILE1039 1HG2 ILE1039 1.033 -11.259 0.901 977 2HG2 ILE1039 2HG2 ILE1039 1.339 -9.698 0.143 978 3HG2 ILE1039 3HG2 ILE1039 0.626 -9.770 1.756 979 1HD1 ILE1039 1HD1 ILE1039 -3.300 -9.191 0.036 980 2HD1 ILE1039 2HD1 ILE1039 -2.826 -7.698 -0.776 981 3HD1 ILE1039 3HD1 ILE1039 -2.595 -9.251 -1.579 982 H ASP1040 H ASP1040 -2.592 -10.113 -2.638 983 HA ASP1040 HA ASP1040 -4.595 -12.012 -2.196 984 1HB ASP1040 HB1 ASP1040 -5.166 -10.136 -3.583 985 2HB ASP1040 HB2 ASP1040 -3.898 -10.528 -4.742 986 H GLN1041 H GLN1041 -1.866 -12.039 -4.414 987 HA GLN1041 HA GLN1041 -2.298 -14.705 -5.292 988 1HB GLN1041 HB1 GLN1041 0.075 -12.886 -5.370 989 2HB GLN1041 HB2 GLN1041 0.267 -14.598 -5.727 990 1HG GLN1041 HG1 GLN1041 -1.328 -14.435 -7.536 991 2HG GLN1041 HG2 GLN1041 -1.622 -12.737 -7.154 992 1HE2 GLN1041 2HE2 GLN1041 -0.109 -11.215 -7.689 993 2HE2 GLN1041 1HE2 GLN1041 1.250 -11.539 -8.710 994 H ALA1042 H ALA1042 -0.564 -13.277 -2.565 995 HA ALA1042 HA ALA1042 0.826 -15.427 -1.616 996 1HB ALA1042 HB1 ALA1042 0.589 -14.501 0.627 997 2HB ALA1042 HB2 ALA1042 0.922 -13.239 -0.559 998 3HB ALA1042 HB3 ALA1042 -0.716 -13.461 0.060 999 H ARG1043 H ARG1043 -2.498 -14.579 -0.726 1000 HA ARG1043 HA ARG1043 -3.285 -16.820 0.624 1001 1HB ARG1043 HB1 ARG1043 -5.112 -15.521 0.559 1002 2HB ARG1043 HB2 ARG1043 -4.563 -14.709 -0.891 1003 1HG ARG1043 HG1 ARG1043 -5.870 -17.392 -1.079 1004 2HG ARG1043 HG2 ARG1043 -6.841 -15.932 -0.878 1005 1HD ARG1043 HD1 ARG1043 -5.770 -14.983 -2.876 1006 2HD ARG1043 HD2 ARG1043 -4.860 -16.477 -3.081 1007 HE ARG1043 HE ARG1043 -7.540 -17.192 -3.025 1008 1HH1 ARG1043 2HH1 ARG1043 -5.461 -15.124 -4.928 1009 2HH1 ARG1043 1HH1 ARG1043 -6.337 -15.362 -6.410 1010 1HH2 ARG1043 2HH2 ARG1043 -8.740 -17.499 -4.987 1011 2HH2 ARG1043 1HH2 ARG1043 -8.187 -16.715 -6.449 1012 H LEU1044 H LEU1044 -2.972 -16.455 -2.868 1013 HA LEU1044 HA LEU1044 -3.831 -19.145 -3.435 1014 1HB LEU1044 HB1 LEU1044 -4.136 -17.189 -4.926 1015 2HB LEU1044 HB2 LEU1044 -2.421 -17.185 -5.227 1016 HG LEU1044 HG LEU1044 -2.611 -19.452 -6.205 1017 1HD1 LEU1044 1HD1 LEU1044 -5.569 -19.015 -5.821 1018 2HD1 LEU1044 2HD1 LEU1044 -4.839 -20.327 -6.746 1019 3HD1 LEU1044 3HD1 LEU1044 -4.577 -20.223 -5.005 1020 1HD2 LEU1044 1HD2 LEU1044 -3.717 -18.749 -8.272 1021 2HD2 LEU1044 2HD2 LEU1044 -4.415 -17.369 -7.425 1022 3HD2 LEU1044 3HD2 LEU1044 -2.667 -17.484 -7.634 1023 H LYS1045 H LYS1045 -0.800 -17.545 -2.836 1024 HA LYS1045 HA LYS1045 0.950 -19.401 -4.041 1025 1HB LYS1045 HB1 LYS1045 1.490 -17.788 -1.541 1026 2HB LYS1045 HB2 LYS1045 2.684 -18.466 -2.625 1027 1HG LYS1045 HG1 LYS1045 0.881 -16.130 -3.070 1028 2HG LYS1045 HG2 LYS1045 2.638 -16.175 -3.039 1029 1HD LYS1045 HD1 LYS1045 0.927 -17.513 -5.133 1030 2HD LYS1045 HD2 LYS1045 1.682 -15.930 -5.321 1031 1HE LYS1045 HE1 LYS1045 3.886 -17.021 -4.932 1032 2HE LYS1045 HE2 LYS1045 3.059 -18.581 -4.950 1033 1HZ LYS1045 HZ1 LYS1045 2.298 -18.093 -7.209 1034 2HZ LYS1045 HZ2 LYS1045 3.143 -16.622 -7.186 1035 3HZ LYS1045 HZ3 LYS1045 3.994 -18.088 -7.114 1036 H MET1046 H MET1046 -0.500 -19.142 -0.867 1037 HA MET1046 HA MET1046 0.768 -21.384 0.284 1038 1HB MET1046 HB1 MET1046 -0.578 -19.574 1.466 1039 2HB MET1046 HB2 MET1046 -2.015 -20.415 0.918 1040 1HG MET1046 HG1 MET1046 0.108 -21.780 2.532 1041 2HG MET1046 HG2 MET1046 -1.205 -20.875 3.282 1042 1HE MET1046 HE1 MET1046 -3.661 -21.494 1.374 1043 2HE MET1046 HE2 MET1046 -4.354 -22.901 2.183 1044 3HE MET1046 HE3 MET1046 -3.741 -21.549 3.136 1045 H ILE1047 H ILE1047 -2.294 -21.000 -1.487 1046 HA ILE1047 HA ILE1047 -3.004 -23.719 -1.541 1047 HB ILE1047 HB ILE1047 -3.602 -21.537 -3.544 1048 1HG1 ILE1047 1HG1 ILE1047 -4.507 -21.107 -1.323 1049 2HG1 ILE1047 2HG1 ILE1047 -5.808 -21.508 -2.438 1050 1HG2 ILE1047 1HG2 ILE1047 -5.418 -22.991 -4.345 1051 2HG2 ILE1047 2HG2 ILE1047 -3.824 -23.693 -4.629 1052 3HG2 ILE1047 3HG2 ILE1047 -4.826 -24.283 -3.301 1053 1HD1 ILE1047 1HD1 ILE1047 -6.128 -22.562 -0.274 1054 2HD1 ILE1047 2HD1 ILE1047 -5.893 -23.771 -1.536 1055 3HD1 ILE1047 3HD1 ILE1047 -4.575 -23.381 -0.430 1056 H SER1048 H SER1048 -1.083 -21.760 -3.793 1057 HA SER1048 HA SER1048 -0.522 -23.543 -5.787 1058 1HB SER1048 HB1 SER1048 1.421 -21.608 -4.492 1059 2HB SER1048 HB2 SER1048 1.635 -22.357 -6.075 1060 HG SER1048 HG SER1048 -0.635 -20.792 -5.399 1061 H GLN1049 H GLN1049 1.148 -23.354 -2.645 1062 HA GLN1049 HA GLN1049 2.763 -25.674 -3.301 1063 1HB GLN1049 HB1 GLN1049 3.821 -23.896 -2.028 1064 2HB GLN1049 HB2 GLN1049 2.588 -24.016 -0.778 1065 1HG GLN1049 HG1 GLN1049 3.351 -26.370 -0.379 1066 2HG GLN1049 HG2 GLN1049 4.697 -26.046 -1.470 1067 1HE2 GLN1049 2HE2 GLN1049 6.357 -24.712 -0.802 1068 2HE2 GLN1049 1HE2 GLN1049 6.538 -24.213 0.847 1069 H SER1050 H SER1050 0.322 -24.852 -0.828 1070 HA SER1050 HA SER1050 0.393 -27.621 0.101 1071 1HB SER1050 HB1 SER1050 0.689 -25.717 1.702 1072 2HB SER1050 HB2 SER1050 -0.963 -25.218 1.348 1073 HG SER1050 HG SER1050 -1.700 -27.156 2.201 1074 H ARG1051 H ARG1051 -1.003 -26.913 -2.401 1075 HA ARG1051 HA ARG1051 -3.797 -26.929 -1.981 1076 1HB ARG1051 HB1 ARG1051 -2.653 -26.397 -4.156 1077 2HB ARG1051 HB2 ARG1051 -2.328 -28.115 -4.343 1078 1HG ARG1051 HG1 ARG1051 -4.610 -28.630 -4.568 1079 2HG ARG1051 HG2 ARG1051 -5.104 -27.044 -3.976 1080 1HD ARG1051 HD1 ARG1051 -5.423 -27.064 -6.335 1081 2HD ARG1051 HD2 ARG1051 -4.034 -26.040 -5.992 1082 HE ARG1051 HE ARG1051 -3.055 -28.592 -6.519 1083 1HH1 ARG1051 2HH1 ARG1051 -4.867 -26.100 -8.195 1084 2HH1 ARG1051 1HH1 ARG1051 -4.217 -26.501 -9.758 1085 1HH2 ARG1051 2HH2 ARG1051 -2.249 -29.159 -8.586 1086 2HH2 ARG1051 1HH2 ARG1051 -2.756 -28.260 -9.985 1087 HA PRO1052 HA PRO1052 -4.365 -30.783 0.063 1088 1HB PRO1052 HB1 PRO1052 -6.883 -30.712 -1.559 1089 2HB PRO1052 HB2 PRO1052 -6.662 -31.092 0.155 1090 1HG PRO1052 HG1 PRO1052 -7.539 -28.701 -0.555 1091 2HG PRO1052 HG2 PRO1052 -6.339 -28.860 0.741 1092 1HD PRO1052 HD1 PRO1052 -5.983 -27.935 -2.068 1093 2HD PRO1052 HD2 PRO1052 -5.139 -27.419 -0.593 1094 H HIS1053 H HIS1053 -5.874 -31.024 -3.164 1095 HA HIS1053 HA HIS1053 -3.992 -33.153 -3.844 1096 1HB HIS1053 HB1 HIS1053 -7.005 -33.455 -3.973 1097 2HB HIS1053 HB2 HIS1053 -5.860 -34.567 -4.716 1098 HD1 HIS1053 HD1 HIS1053 -7.618 -33.893 -1.589 1099 HD2 HIS1053 HD2 HIS1053 -4.189 -35.939 -2.753 1100 HE1 HIS1053 HE1 HIS1053 -7.026 -35.388 0.346 1101 HE2 HIS1053 HE2 HIS1053 -4.854 -36.486 -0.313 Start of MODEL 2 1 1H ARG 920 H ARG 920 -7.716 -20.436 -2.584 2 HA ARG 920 HA ARG 920 -8.466 -19.793 0.186 3 1HB ARG 920 HB1 ARG 920 -6.071 -20.033 -0.307 4 2HB ARG 920 HB2 ARG 920 -6.209 -18.807 -1.556 5 1HG ARG 920 HG1 ARG 920 -5.197 -17.832 0.353 6 2HG ARG 920 HG2 ARG 920 -6.819 -17.162 0.170 7 1HD ARG 920 HD1 ARG 920 -5.827 -18.004 2.489 8 2HD ARG 920 HD2 ARG 920 -7.547 -18.081 2.107 9 HE ARG 920 HE ARG 920 -6.276 -20.478 1.317 10 1HH1 ARG 920 2HH1 ARG 920 -7.200 -18.711 4.176 11 2HH1 ARG 920 1HH1 ARG 920 -7.439 -20.124 5.152 12 1HH2 ARG 920 2HH2 ARG 920 -6.600 -22.383 2.595 13 2HH2 ARG 920 1HH2 ARG 920 -7.099 -22.212 4.254 14 H SER 921 H SER 921 -9.807 -18.122 0.533 15 HA SER 921 HA SER 921 -10.877 -16.798 -1.798 16 1HB SER 921 HB1 SER 921 -11.778 -16.619 1.079 17 2HB SER 921 HB2 SER 921 -12.709 -16.176 -0.353 18 HG SER 921 HG SER 921 -13.404 -18.180 0.002 19 H ASN 922 H ASN 922 -8.416 -15.814 -1.482 20 HA ASN 922 HA ASN 922 -7.130 -13.930 -1.156 21 1HB ASN 922 HB1 ASN 922 -9.418 -12.153 -1.594 22 2HB ASN 922 HB2 ASN 922 -7.878 -12.225 -2.434 23 1HD2 ASN 922 2HD2 ASN 922 -7.563 -13.692 -4.067 24 2HD2 ASN 922 1HD2 ASN 922 -8.890 -14.415 -4.921 25 H ASP 923 H ASP 923 -7.648 -14.736 1.180 26 HA ASP 923 HA ASP 923 -9.187 -13.479 3.019 27 1HB ASP 923 HB1 ASP 923 -7.441 -15.444 3.170 28 2HB ASP 923 HB2 ASP 923 -6.374 -14.172 3.758 29 H LYS 924 H LYS 924 -7.831 -12.370 4.962 30 HA LYS 924 HA LYS 924 -7.828 -9.695 4.747 31 1HB LYS 924 HB1 LYS 924 -7.015 -11.528 6.616 32 2HB LYS 924 HB2 LYS 924 -5.528 -10.648 6.299 33 1HG LYS 924 HG1 LYS 924 -8.043 -9.150 6.863 34 2HG LYS 924 HG2 LYS 924 -7.135 -9.881 8.187 35 1HD LYS 924 HD1 LYS 924 -5.136 -8.646 7.477 36 2HD LYS 924 HD2 LYS 924 -6.070 -7.900 6.178 37 1HE LYS 924 HE1 LYS 924 -5.815 -6.470 8.195 38 2HE LYS 924 HE2 LYS 924 -7.493 -6.788 7.742 39 1HZ LYS 924 HZ1 LYS 924 -5.977 -8.188 9.893 40 2HZ LYS 924 HZ2 LYS 924 -7.172 -7.008 10.133 41 3HZ LYS 924 HZ3 LYS 924 -7.588 -8.506 9.459 42 H VAL 925 H VAL 925 -5.432 -11.740 3.355 43 HA VAL 925 HA VAL 925 -3.333 -9.981 2.904 44 HB VAL 925 HB VAL 925 -2.790 -11.505 0.983 45 1HG1 VAL 925 1HG1 VAL 925 -2.393 -13.485 2.407 46 2HG1 VAL 925 2HG1 VAL 925 -1.974 -11.982 3.231 47 3HG1 VAL 925 3HG1 VAL 925 -3.479 -12.813 3.622 48 1HG2 VAL 925 1HG2 VAL 925 -4.125 -13.570 0.753 49 2HG2 VAL 925 2HG2 VAL 925 -5.337 -12.880 1.833 50 3HG2 VAL 925 3HG2 VAL 925 -5.015 -12.124 0.273 51 H TYR 926 H TYR 926 -6.131 -10.741 0.705 52 HA TYR 926 HA TYR 926 -5.192 -8.682 -1.157 53 1HB TYR 926 HB1 TYR 926 -6.203 -10.587 -2.158 54 2HB TYR 926 HB2 TYR 926 -7.543 -10.599 -1.024 55 HD1 TYR 926 HD1 TYR 926 -9.533 -9.407 -1.466 56 HD2 TYR 926 HD2 TYR 926 -6.144 -8.874 -3.985 57 HE1 TYR 926 HE1 TYR 926 -10.943 -8.227 -3.099 58 HE2 TYR 926 HE2 TYR 926 -7.544 -7.690 -5.626 59 HH TYR 926 HH TYR 926 -9.810 -7.433 -6.277 60 H GLU 927 H GLU 927 -7.640 -9.184 1.281 61 HA GLU 927 HA GLU 927 -9.301 -6.986 0.894 62 1HB GLU 927 HB1 GLU 927 -8.539 -8.616 3.300 63 2HB GLU 927 HB2 GLU 927 -9.732 -7.337 3.400 64 1HG GLU 927 HG1 GLU 927 -11.166 -8.453 1.858 65 2HG GLU 927 HG2 GLU 927 -9.919 -9.638 1.478 66 H ASN 928 H ASN 928 -6.530 -7.262 3.110 67 HA ASN 928 HA ASN 928 -6.926 -4.608 4.086 68 1HB ASN 928 HB1 ASN 928 -5.981 -6.516 5.388 69 2HB ASN 928 HB2 ASN 928 -4.507 -6.352 4.443 70 1HD2 ASN 928 2HD2 ASN 928 -3.376 -5.958 6.306 71 2HD2 ASN 928 1HD2 ASN 928 -3.421 -4.415 7.093 72 H VAL 929 H VAL 929 -4.650 -6.044 1.713 73 HA VAL 929 HA VAL 929 -3.234 -3.664 1.269 74 HB VAL 929 HB VAL 929 -3.910 -5.635 -0.914 75 1HG1 VAL 929 1HG1 VAL 929 -1.634 -3.700 -0.509 76 2HG1 VAL 929 2HG1 VAL 929 -1.772 -4.849 -1.840 77 3HG1 VAL 929 3HG1 VAL 929 -2.946 -3.543 -1.676 78 1HG2 VAL 929 1HG2 VAL 929 -1.826 -6.761 -0.327 79 2HG2 VAL 929 2HG2 VAL 929 -1.633 -5.685 1.057 80 3HG2 VAL 929 3HG2 VAL 929 -2.982 -6.819 1.003 81 H THR 930 H THR 930 -6.373 -4.720 0.053 82 HA THR 930 HA THR 930 -6.859 -2.529 -1.657 83 HB THR 930 HB THR 930 -8.876 -3.983 0.080 84 HG1 THR 930 HG1 THR 930 -7.794 -5.453 -1.264 85 1HG2 THR 930 1HG2 THR 930 -10.520 -3.284 -1.571 86 2HG2 THR 930 2HG2 THR 930 -9.713 -1.872 -0.888 87 3HG2 THR 930 3HG2 THR 930 -9.270 -2.450 -2.494 88 H GLY 931 H GLY 931 -7.150 -3.034 1.785 89 1HA GLY 931 HA1 GLY 931 -8.183 -0.589 2.618 90 2HA GLY 931 HA2 GLY 931 -7.094 -1.590 3.563 91 H LEU 932 H LEU 932 -4.851 -1.372 1.636 92 HA LEU 932 HA LEU 932 -3.680 1.029 2.556 93 1HB LEU 932 HB1 LEU 932 -2.720 -1.230 1.446 94 2HB LEU 932 HB2 LEU 932 -2.720 -0.205 0.027 95 HG LEU 932 HG LEU 932 -1.290 0.461 2.606 96 1HD1 LEU 932 1HD1 LEU 932 -0.199 -0.658 0.029 97 2HD1 LEU 932 2HD1 LEU 932 0.758 -0.130 1.413 98 3HD1 LEU 932 3HD1 LEU 932 -0.324 -1.514 1.565 99 1HD2 LEU 932 1HD2 LEU 932 -1.891 2.426 1.283 100 2HD2 LEU 932 2HD2 LEU 932 -0.149 2.153 1.266 101 3HD2 LEU 932 3HD2 LEU 932 -1.125 1.712 -0.136 102 H VAL 933 H VAL 933 -5.335 0.080 -0.383 103 HA VAL 933 HA VAL 933 -5.046 2.543 -1.763 104 HB VAL 933 HB VAL 933 -7.267 0.522 -2.118 105 1HG1 VAL 933 1HG1 VAL 933 -7.601 2.682 -3.242 106 2HG1 VAL 933 2HG1 VAL 933 -6.050 2.486 -4.058 107 3HG1 VAL 933 3HG1 VAL 933 -7.370 1.366 -4.394 108 1HG2 VAL 933 1HG2 VAL 933 -5.098 -0.600 -2.210 109 2HG2 VAL 933 2HG2 VAL 933 -5.854 -0.541 -3.803 110 3HG2 VAL 933 3HG2 VAL 933 -4.540 0.568 -3.409 111 H LYS 934 H LYS 934 -7.556 1.166 0.306 112 HA LYS 934 HA LYS 934 -9.424 3.221 0.196 113 1HB LYS 934 HB1 LYS 934 -8.768 1.574 2.647 114 2HB LYS 934 HB2 LYS 934 -10.281 2.394 2.313 115 1HG LYS 934 HG1 LYS 934 -9.180 0.048 0.768 116 2HG LYS 934 HG2 LYS 934 -10.445 -0.029 1.991 117 1HD LYS 934 HD1 LYS 934 -11.664 -0.014 0.027 118 2HD LYS 934 HD2 LYS 934 -11.661 1.694 0.468 119 1HE LYS 934 HE1 LYS 934 -9.810 2.091 -1.074 120 2HE LYS 934 HE2 LYS 934 -9.786 0.380 -1.498 121 1HZ LYS 934 HZ1 LYS 934 -11.921 0.562 -2.489 122 2HZ LYS 934 HZ2 LYS 934 -12.143 2.140 -1.903 123 3HZ LYS 934 HZ3 LYS 934 -10.980 1.833 -3.099 124 H ALA 935 H ALA 935 -6.482 2.900 2.060 125 HA ALA 935 HA ALA 935 -6.956 5.249 3.637 126 1HB ALA 935 HB1 ALA 935 -4.740 4.873 4.526 127 2HB ALA 935 HB2 ALA 935 -5.674 3.377 4.514 128 3HB ALA 935 HB3 ALA 935 -4.434 3.654 3.290 129 H VAL 936 H VAL 936 -5.338 4.581 0.576 130 HA VAL 936 HA VAL 936 -4.299 7.273 0.549 131 HB VAL 936 HB VAL 936 -3.101 5.474 -0.648 132 1HG1 VAL 936 1HG1 VAL 936 -3.874 4.706 -2.817 133 2HG1 VAL 936 2HG1 VAL 936 -5.059 4.307 -1.574 134 3HG1 VAL 936 3HG1 VAL 936 -5.345 5.666 -2.658 135 1HG2 VAL 936 1HG2 VAL 936 -2.552 6.808 -2.628 136 2HG2 VAL 936 2HG2 VAL 936 -3.989 7.794 -2.359 137 3HG2 VAL 936 3HG2 VAL 936 -2.680 7.803 -1.177 138 H ILE 937 H ILE 937 -7.225 5.686 -0.218 139 HA ILE 937 HA ILE 937 -8.428 7.834 -1.632 140 HB ILE 937 HB ILE 937 -9.668 5.770 0.201 141 1HG1 ILE 937 1HG1 ILE 937 -8.680 4.794 -1.799 142 2HG1 ILE 937 2HG1 ILE 937 -10.435 4.733 -1.912 143 1HG2 ILE 937 1HG2 ILE 937 -11.091 7.735 0.111 144 2HG2 ILE 937 2HG2 ILE 937 -11.034 7.717 -1.651 145 3HG2 ILE 937 3HG2 ILE 937 -11.824 6.403 -0.782 146 1HD1 ILE 937 1HD1 ILE 937 -9.402 5.347 -4.032 147 2HD1 ILE 937 2HD1 ILE 937 -10.417 6.647 -3.407 148 3HD1 ILE 937 3HD1 ILE 937 -8.663 6.753 -3.266 149 H GLU 938 H GLU 938 -8.043 7.010 1.782 150 HA GLU 938 HA GLU 938 -9.121 9.206 3.042 151 1HB GLU 938 HB1 GLU 938 -6.526 7.780 3.662 152 2HB GLU 938 HB2 GLU 938 -7.248 8.983 4.720 153 1HG GLU 938 HG1 GLU 938 -8.614 6.433 3.874 154 2HG GLU 938 HG2 GLU 938 -7.725 6.642 5.383 155 H MET 939 H MET 939 -6.070 9.001 1.290 156 HA MET 939 HA MET 939 -5.095 11.557 1.950 157 1HB MET 939 HB1 MET 939 -3.646 9.931 0.897 158 2HB MET 939 HB2 MET 939 -4.677 9.865 -0.523 159 1HG MET 939 HG1 MET 939 -3.373 12.434 0.272 160 2HG MET 939 HG2 MET 939 -2.464 11.198 -0.594 161 1HE MET 939 HE1 MET 939 -4.442 10.911 -3.957 162 2HE MET 939 HE2 MET 939 -3.032 10.371 -3.042 163 3HE MET 939 HE3 MET 939 -4.652 9.925 -2.512 164 H SER 940 H SER 940 -7.272 10.431 -0.582 165 HA SER 940 HA SER 940 -7.528 12.989 -1.829 166 1HB SER 940 HB1 SER 940 -9.246 10.513 -2.073 167 2HB SER 940 HB2 SER 940 -9.326 11.921 -3.131 168 HG SER 940 HG SER 940 -6.818 10.786 -2.788 169 H SER 941 H SER 941 -9.234 11.340 0.773 170 HA SER 941 HA SER 941 -11.483 13.158 0.658 171 1HB SER 941 HB1 SER 941 -12.063 12.086 2.880 172 2HB SER 941 HB2 SER 941 -11.946 10.962 1.527 173 HG SER 941 HG SER 941 -10.804 10.048 3.159 174 H LYS 942 H LYS 942 -8.644 12.594 2.600 175 HA LYS 942 HA LYS 942 -8.733 14.668 4.397 176 1HB LYS 942 HB1 LYS 942 -6.661 12.993 3.176 177 2HB LYS 942 HB2 LYS 942 -6.075 14.561 3.721 178 1HG LYS 942 HG1 LYS 942 -7.672 12.704 5.457 179 2HG LYS 942 HG2 LYS 942 -5.904 12.718 5.396 180 1HD LYS 942 HD1 LYS 942 -5.740 14.759 6.385 181 2HD LYS 942 HD2 LYS 942 -7.308 15.296 5.763 182 1HE LYS 942 HE1 LYS 942 -7.477 15.021 8.151 183 2HE LYS 942 HE2 LYS 942 -8.411 13.748 7.367 184 1HZ LYS 942 HZ1 LYS 942 -7.122 12.881 9.206 185 2HZ LYS 942 HZ2 LYS 942 -6.572 12.215 7.748 186 3HZ LYS 942 HZ3 LYS 942 -5.688 13.453 8.510 187 H ILE 943 H ILE 943 -7.343 14.723 1.115 188 HA ILE 943 HA ILE 943 -6.394 17.350 1.361 189 HB ILE 943 HB ILE 943 -5.553 15.725 -0.325 190 1HG1 ILE 943 1HG1 ILE 943 -6.556 18.324 -1.505 191 2HG1 ILE 943 2HG1 ILE 943 -5.092 18.136 -0.547 192 1HG2 ILE 943 1HG2 ILE 943 -7.657 14.788 -1.077 193 2HG2 ILE 943 2HG2 ILE 943 -8.128 16.340 -1.769 194 3HG2 ILE 943 3HG2 ILE 943 -6.762 15.450 -2.444 195 1HD1 ILE 943 1HD1 ILE 943 -5.622 16.879 -3.231 196 2HD1 ILE 943 2HD1 ILE 943 -4.584 18.269 -2.914 197 3HD1 ILE 943 3HD1 ILE 943 -4.153 16.683 -2.275 198 H GLN 944 H GLN 944 -9.555 16.130 0.564 199 HA GLN 944 HA GLN 944 -10.621 18.306 -0.789 200 1HB GLN 944 HB1 GLN 944 -11.979 16.477 1.192 201 2HB GLN 944 HB2 GLN 944 -12.825 17.611 0.145 202 1HG GLN 944 HG1 GLN 944 -12.119 16.448 -1.810 203 2HG GLN 944 HG2 GLN 944 -11.026 15.427 -0.875 204 1HE2 GLN 944 2HE2 GLN 944 -11.967 13.542 -1.566 205 2HE2 GLN 944 1HE2 GLN 944 -13.529 13.025 -1.039 206 HA PRO 945 HA PRO 945 -11.364 20.791 3.090 207 1HB PRO 945 HB1 PRO 945 -11.720 19.781 5.508 208 2HB PRO 945 HB2 PRO 945 -12.931 19.514 4.247 209 1HG PRO 945 HG1 PRO 945 -10.867 17.648 5.318 210 2HG PRO 945 HG2 PRO 945 -12.518 17.304 4.772 211 1HD PRO 945 HD1 PRO 945 -10.137 16.994 3.280 212 2HD PRO 945 HD2 PRO 945 -11.797 16.890 2.665 213 H ALA 946 H ALA 946 -8.569 19.527 2.566 214 HA ALA 946 HA ALA 946 -7.328 20.289 5.128 215 1HB ALA 946 HB1 ALA 946 -7.028 17.936 4.511 216 2HB ALA 946 HB2 ALA 946 -6.195 18.447 3.043 217 3HB ALA 946 HB3 ALA 946 -5.502 18.813 4.623 218 HA PRO 947 HA PRO 947 -4.700 23.166 2.881 219 1HB PRO 947 HB1 PRO 947 -3.571 24.250 5.041 220 2HB PRO 947 HB2 PRO 947 -5.265 24.585 4.664 221 1HG PRO 947 HG1 PRO 947 -4.106 22.719 6.684 222 2HG PRO 947 HG2 PRO 947 -5.523 23.776 6.817 223 1HD PRO 947 HD1 PRO 947 -5.579 21.053 6.232 224 2HD PRO 947 HD2 PRO 947 -6.898 22.201 5.932 225 HA PRO 948 HA PRO 948 -0.604 21.262 2.885 226 1HB PRO 948 HB1 PRO 948 1.014 23.032 4.353 227 2HB PRO 948 HB2 PRO 948 0.773 23.039 2.605 228 1HG PRO 948 HG1 PRO 948 -0.529 24.699 4.705 229 2HG PRO 948 HG2 PRO 948 -0.094 25.127 3.040 230 1HD PRO 948 HD1 PRO 948 -2.635 24.645 3.736 231 2HD PRO 948 HD2 PRO 948 -1.999 24.134 2.158 232 H GLU 949 H GLU 949 -1.643 22.577 5.945 233 HA GLU 949 HA GLU 949 -0.030 21.259 7.746 234 1HB GLU 949 HB1 GLU 949 -2.978 21.869 7.978 235 2HB GLU 949 HB2 GLU 949 -1.950 21.404 9.323 236 1HG GLU 949 HG1 GLU 949 -0.586 23.427 8.916 237 2HG GLU 949 HG2 GLU 949 -1.742 23.906 7.669 238 H GLU 950 H GLU 950 -2.879 20.064 6.016 239 HA GLU 950 HA GLU 950 -2.524 17.473 7.341 240 1HB GLU 950 HB1 GLU 950 -4.906 18.548 5.849 241 2HB GLU 950 HB2 GLU 950 -4.780 16.922 6.520 242 1HG GLU 950 HG1 GLU 950 -4.429 17.923 8.757 243 2HG GLU 950 HG2 GLU 950 -4.715 19.513 8.055 244 H TYR 951 H TYR 951 -1.436 18.910 4.654 245 HA TYR 951 HA TYR 951 -1.787 16.834 2.753 246 1HB TYR 951 HB1 TYR 951 0.277 18.999 3.074 247 2HB TYR 951 HB2 TYR 951 0.483 17.741 1.861 248 HD1 TYR 951 HD1 TYR 951 -2.671 17.603 1.458 249 HD2 TYR 951 HD2 TYR 951 0.228 20.698 1.304 250 HE1 TYR 951 HE1 TYR 951 -4.096 18.848 -0.104 251 HE2 TYR 951 HE2 TYR 951 -1.190 21.955 -0.256 252 HH TYR 951 HH TYR 951 -4.451 21.115 -0.860 253 H VAL 952 H VAL 952 0.545 17.447 5.342 254 HA VAL 952 HA VAL 952 1.855 14.954 4.794 255 HB VAL 952 HB VAL 952 3.391 16.282 5.774 256 1HG1 VAL 952 1HG1 VAL 952 2.004 18.144 6.393 257 2HG1 VAL 952 2HG1 VAL 952 1.340 17.246 7.758 258 3HG1 VAL 952 3HG1 VAL 952 3.038 17.720 7.757 259 1HG2 VAL 952 1HG2 VAL 952 2.260 14.775 8.123 260 2HG2 VAL 952 2HG2 VAL 952 3.451 14.191 6.961 261 3HG2 VAL 952 3HG2 VAL 952 3.866 15.503 8.065 262 HA PRO 953 HA PRO 953 -0.866 13.311 8.580 263 1HB PRO 953 HB1 PRO 953 -3.182 15.039 7.897 264 2HB PRO 953 HB2 PRO 953 -2.729 14.333 9.458 265 1HG PRO 953 HG1 PRO 953 -2.247 16.888 8.988 266 2HG PRO 953 HG2 PRO 953 -1.032 15.890 9.813 267 1HD PRO 953 HD1 PRO 953 -1.088 16.862 6.989 268 2HD PRO 953 HD2 PRO 953 0.290 16.662 8.088 269 H MET 954 H MET 954 -2.044 14.394 5.388 270 HA MET 954 HA MET 954 -3.871 12.203 5.214 271 1HB MET 954 HB1 MET 954 -4.235 12.780 2.928 272 2HB MET 954 HB2 MET 954 -4.123 14.272 3.844 273 1HG MET 954 HG1 MET 954 -1.827 14.565 3.068 274 2HG MET 954 HG2 MET 954 -1.963 13.075 2.132 275 1HE MET 954 HE1 MET 954 -4.888 15.557 2.690 276 2HE MET 954 HE2 MET 954 -3.502 16.648 2.684 277 3HE MET 954 HE3 MET 954 -4.676 16.709 1.370 278 H VAL 955 H VAL 955 -0.560 12.767 4.042 279 HA VAL 955 HA VAL 955 -0.211 10.180 3.069 280 HB VAL 955 HB VAL 955 1.481 12.213 3.074 281 1HG1 VAL 955 1HG1 VAL 955 2.512 10.537 5.356 282 2HG1 VAL 955 2HG1 VAL 955 3.399 11.819 4.532 283 3HG1 VAL 955 3HG1 VAL 955 1.951 12.205 5.458 284 1HG2 VAL 955 1HG2 VAL 955 1.635 10.197 1.727 285 2HG2 VAL 955 2HG2 VAL 955 3.215 10.638 2.373 286 3HG2 VAL 955 3HG2 VAL 955 2.303 9.314 3.100 287 H LYS 956 H LYS 956 -0.338 11.355 6.344 288 HA LYS 956 HA LYS 956 0.755 9.118 7.663 289 1HB LYS 956 HB1 LYS 956 0.082 11.217 8.800 290 2HB LYS 956 HB2 LYS 956 -1.604 10.795 8.544 291 1HG LYS 956 HG1 LYS 956 -1.155 8.703 9.878 292 2HG LYS 956 HG2 LYS 956 0.402 9.416 10.300 293 1HD LYS 956 HD1 LYS 956 -2.332 10.547 10.899 294 2HD LYS 956 HD2 LYS 956 -1.193 9.863 12.058 295 1HE LYS 956 HE1 LYS 956 -0.799 12.369 10.425 296 2HE LYS 956 HE2 LYS 956 -1.150 12.291 12.150 297 1HZ LYS 956 HZ1 LYS 956 0.971 11.127 12.465 298 2HZ LYS 956 HZ2 LYS 956 1.302 11.286 10.814 299 3HZ LYS 956 HZ3 LYS 956 1.188 12.665 11.784 300 H GLU 957 H GLU 957 -2.422 9.749 6.360 301 HA GLU 957 HA GLU 957 -3.793 7.477 7.170 302 1HB GLU 957 HB1 GLU 957 -4.138 8.757 4.458 303 2HB GLU 957 HB2 GLU 957 -5.355 7.935 5.421 304 1HG GLU 957 HG1 GLU 957 -4.017 10.459 6.336 305 2HG GLU 957 HG2 GLU 957 -5.456 10.464 5.326 306 H VAL 958 H VAL 958 -1.898 7.898 4.122 307 HA VAL 958 HA VAL 958 -2.193 5.148 3.400 308 HB VAL 958 HB VAL 958 -0.659 5.519 1.596 309 1HG1 VAL 958 1HG1 VAL 958 -2.259 8.025 2.095 310 2HG1 VAL 958 2HG1 VAL 958 -1.603 7.511 0.539 311 3HG1 VAL 958 3HG1 VAL 958 -2.840 6.541 1.341 312 1HG2 VAL 958 1HG2 VAL 958 1.126 6.641 2.825 313 2HG2 VAL 958 2HG2 VAL 958 0.685 7.557 1.383 314 3HG2 VAL 958 3HG2 VAL 958 0.134 8.092 2.971 315 H GLY 959 H GLY 959 0.008 6.846 5.484 316 1HA GLY 959 HA1 GLY 959 2.047 4.834 5.499 317 2HA GLY 959 HA2 GLY 959 1.829 6.098 6.703 318 H LEU 960 H LEU 960 -0.593 5.626 7.734 319 HA LEU 960 HA LEU 960 -0.457 3.341 9.324 320 1HB LEU 960 HB1 LEU 960 -2.911 4.895 8.484 321 2HB LEU 960 HB2 LEU 960 -2.852 3.744 9.805 322 HG LEU 960 HG LEU 960 -1.269 6.313 9.676 323 1HD1 LEU 960 1HD1 LEU 960 -3.683 6.684 9.933 324 2HD1 LEU 960 2HD1 LEU 960 -3.687 5.607 11.329 325 3HD1 LEU 960 3HD1 LEU 960 -2.785 7.120 11.386 326 1HD2 LEU 960 1HD2 LEU 960 -0.138 4.569 10.948 327 2HD2 LEU 960 2HD2 LEU 960 -0.750 5.829 12.019 328 3HD2 LEU 960 3HD2 LEU 960 -1.603 4.291 11.889 329 H ALA 961 H ALA 961 -1.689 3.797 6.138 330 HA ALA 961 HA ALA 961 -3.108 1.384 5.807 331 1HB ALA 961 HB1 ALA 961 -2.738 1.685 3.407 332 2HB ALA 961 HB2 ALA 961 -3.253 3.182 4.186 333 3HB ALA 961 HB3 ALA 961 -1.559 2.949 3.754 334 H LEU 962 H LEU 962 0.273 2.151 4.876 335 HA LEU 962 HA LEU 962 0.973 -0.503 4.307 336 1HB LEU 962 HB1 LEU 962 2.224 1.438 3.534 337 2HB LEU 962 HB2 LEU 962 2.696 1.820 5.178 338 HG LEU 962 HG LEU 962 4.458 0.772 3.696 339 1HD1 LEU 962 1HD1 LEU 962 5.370 -0.657 5.448 340 2HD1 LEU 962 2HD1 LEU 962 4.721 0.844 6.109 341 3HD1 LEU 962 3HD1 LEU 962 3.807 -0.656 6.268 342 1HD2 LEU 962 1HD2 LEU 962 3.066 -0.872 2.589 343 2HD2 LEU 962 2HD2 LEU 962 4.396 -1.659 3.439 344 3HD2 LEU 962 3HD2 LEU 962 2.771 -1.687 4.126 345 H ARG 963 H ARG 963 1.176 1.331 7.391 346 HA ARG 963 HA ARG 963 2.266 -0.629 8.990 347 1HB ARG 963 HB1 ARG 963 0.096 1.367 9.639 348 2HB ARG 963 HB2 ARG 963 0.897 0.380 10.852 349 1HG ARG 963 HG1 ARG 963 2.236 2.377 9.037 350 2HG ARG 963 HG2 ARG 963 1.863 2.613 10.747 351 1HD ARG 963 HD1 ARG 963 3.379 0.871 11.379 352 2HD ARG 963 HD2 ARG 963 3.626 0.408 9.696 353 HE ARG 963 HE ARG 963 4.357 3.127 10.150 354 1HH1 ARG 963 2HH1 ARG 963 5.442 -0.159 10.721 355 2HH1 ARG 963 1HH1 ARG 963 7.135 0.243 10.602 356 1HH2 ARG 963 2HH2 ARG 963 6.583 3.661 10.006 357 2HH2 ARG 963 1HH2 ARG 963 7.781 2.414 10.212 358 H THR 964 H THR 964 -1.262 -0.122 8.659 359 HA THR 964 HA THR 964 -2.096 -2.509 9.799 360 HB THR 964 HB THR 964 -4.046 -2.389 8.065 361 HG1 THR 964 HG1 THR 964 -2.985 0.234 7.756 362 1HG2 THR 964 1HG2 THR 964 -3.563 -0.150 10.025 363 2HG2 THR 964 2HG2 THR 964 -5.124 -0.611 9.343 364 3HG2 THR 964 3HG2 THR 964 -4.258 -1.727 10.398 365 H LEU 965 H LEU 965 -1.075 -1.873 6.510 366 HA LEU 965 HA LEU 965 -1.559 -4.347 5.348 367 1HB LEU 965 HB1 LEU 965 -0.969 -2.357 4.089 368 2HB LEU 965 HB2 LEU 965 0.621 -2.334 4.815 369 HG LEU 965 HG LEU 965 0.381 -3.159 2.399 370 1HD1 LEU 965 1HD1 LEU 965 2.183 -4.773 2.694 371 2HD1 LEU 965 2HD1 LEU 965 2.428 -3.350 3.706 372 3HD1 LEU 965 3HD1 LEU 965 1.839 -4.850 4.423 373 1HD2 LEU 965 1HD2 LEU 965 -0.115 -5.532 2.151 374 2HD2 LEU 965 2HD2 LEU 965 -0.526 -5.633 3.864 375 3HD2 LEU 965 3HD2 LEU 965 -1.510 -4.652 2.776 376 H LEU 966 H LEU 966 1.066 -3.305 7.416 377 HA LEU 966 HA LEU 966 2.829 -5.465 6.884 378 1HB LEU 966 HB1 LEU 966 3.528 -3.356 7.972 379 2HB LEU 966 HB2 LEU 966 2.612 -3.808 9.398 380 HG LEU 966 HG LEU 966 4.078 -5.788 9.681 381 1HD1 LEU 966 1HD1 LEU 966 5.636 -4.561 7.411 382 2HD1 LEU 966 2HD1 LEU 966 6.166 -5.912 8.413 383 3HD1 LEU 966 3HD1 LEU 966 4.758 -6.089 7.366 384 1HD2 LEU 966 1HD2 LEU 966 6.066 -4.540 10.414 385 2HD2 LEU 966 2HD2 LEU 966 5.467 -3.119 9.556 386 3HD2 LEU 966 3HD2 LEU 966 4.560 -3.774 10.919 387 H ALA 967 H ALA 967 0.099 -5.072 9.041 388 HA ALA 967 HA ALA 967 0.420 -7.470 10.511 389 1HB ALA 967 HB1 ALA 967 -1.973 -7.302 10.982 390 2HB ALA 967 HB2 ALA 967 -1.178 -5.737 11.165 391 3HB ALA 967 HB3 ALA 967 -2.140 -6.075 9.725 392 H THR 968 H THR 968 -1.181 -6.760 7.445 393 HA THR 968 HA THR 968 -2.016 -9.401 6.858 394 HB THR 968 HB THR 968 -1.461 -6.999 5.144 395 HG1 THR 968 HG1 THR 968 -3.904 -8.288 5.126 396 1HG2 THR 968 1HG2 THR 968 -2.437 -9.683 4.157 397 2HG2 THR 968 2HG2 THR 968 -2.317 -8.202 3.209 398 3HG2 THR 968 3HG2 THR 968 -0.856 -8.984 3.810 399 H VAL 969 H VAL 969 0.961 -7.648 6.240 400 HA VAL 969 HA VAL 969 2.351 -9.532 4.775 401 HB VAL 969 HB VAL 969 3.441 -7.700 6.919 402 1HG1 VAL 969 1HG1 VAL 969 5.012 -9.512 6.541 403 2HG1 VAL 969 2HG1 VAL 969 4.914 -9.266 4.798 404 3HG1 VAL 969 3HG1 VAL 969 5.628 -8.022 5.827 405 1HG2 VAL 969 1HG2 VAL 969 4.111 -6.321 4.995 406 2HG2 VAL 969 2HG2 VAL 969 3.293 -7.454 3.917 407 3HG2 VAL 969 3HG2 VAL 969 2.363 -6.529 5.098 408 H ASP 970 H ASP 970 1.584 -9.561 8.201 409 HA ASP 970 HA ASP 970 3.275 -11.797 8.815 410 1HB ASP 970 HB1 ASP 970 2.611 -10.229 10.566 411 2HB ASP 970 HB2 ASP 970 0.916 -10.626 10.311 412 H GLU 971 H GLU 971 0.013 -11.426 7.700 413 HA GLU 971 HA GLU 971 -0.832 -14.127 8.022 414 1HB GLU 971 HB1 GLU 971 -1.587 -12.262 5.754 415 2HB GLU 971 HB2 GLU 971 -2.516 -13.626 6.362 416 1HG GLU 971 HG1 GLU 971 -1.885 -11.200 8.014 417 2HG GLU 971 HG2 GLU 971 -3.340 -11.351 7.025 418 H SER 972 H SER 972 0.510 -12.375 5.279 419 HA SER 972 HA SER 972 0.990 -14.627 3.683 420 1HB SER 972 HB1 SER 972 2.426 -12.924 2.428 421 2HB SER 972 HB2 SER 972 0.693 -12.587 2.587 422 HG SER 972 HG SER 972 2.636 -11.584 4.402 423 H LEU 973 H LEU 973 2.729 -13.249 6.331 424 HA LEU 973 HA LEU 973 5.344 -13.910 5.705 425 1HB LEU 973 HB1 LEU 973 4.685 -12.584 7.672 426 2HB LEU 973 HB2 LEU 973 4.071 -14.037 8.436 427 HG LEU 973 HG LEU 973 6.354 -14.984 8.452 428 1HD1 LEU 973 1HD1 LEU 973 7.228 -13.783 6.501 429 2HD1 LEU 973 2HD1 LEU 973 7.178 -12.276 7.414 430 3HD1 LEU 973 3HD1 LEU 973 8.262 -13.572 7.917 431 1HD2 LEU 973 1HD2 LEU 973 7.244 -13.548 10.201 432 2HD2 LEU 973 2HD2 LEU 973 6.155 -12.250 9.708 433 3HD2 LEU 973 3HD2 LEU 973 5.501 -13.741 10.385 434 HA PRO 974 HA PRO 974 4.740 -18.445 7.374 435 1HB PRO 974 HB1 PRO 974 1.788 -18.701 7.264 436 2HB PRO 974 HB2 PRO 974 2.933 -19.363 8.438 437 1HG PRO 974 HG1 PRO 974 1.365 -17.314 9.081 438 2HG PRO 974 HG2 PRO 974 3.046 -17.392 9.643 439 1HD PRO 974 HD1 PRO 974 1.872 -15.792 7.398 440 2HD PRO 974 HD2 PRO 974 3.076 -15.313 8.611 441 H VAL 975 H VAL 975 2.563 -16.808 5.168 442 HA VAL 975 HA VAL 975 2.500 -18.958 3.231 443 HB VAL 975 HB VAL 975 1.977 -16.014 2.799 444 1HG1 VAL 975 1HG1 VAL 975 1.201 -18.427 1.166 445 2HG1 VAL 975 2HG1 VAL 975 0.687 -16.769 0.855 446 3HG1 VAL 975 3HG1 VAL 975 2.391 -17.206 0.721 447 1HG2 VAL 975 1HG2 VAL 975 -0.386 -16.586 3.063 448 2HG2 VAL 975 2HG2 VAL 975 0.057 -18.253 3.435 449 3HG2 VAL 975 3HG2 VAL 975 0.528 -16.951 4.528 450 H LEU 976 H LEU 976 4.904 -16.767 4.176 451 HA LEU 976 HA LEU 976 6.182 -16.468 1.646 452 1HB LEU 976 HB1 LEU 976 6.522 -14.728 3.163 453 2HB LEU 976 HB2 LEU 976 7.000 -15.804 4.461 454 HG LEU 976 HG LEU 976 8.717 -15.546 2.012 455 1HD1 LEU 976 1HD1 LEU 976 8.678 -13.661 4.366 456 2HD1 LEU 976 2HD1 LEU 976 9.899 -13.693 3.094 457 3HD1 LEU 976 3HD1 LEU 976 8.233 -13.262 2.707 458 1HD2 LEU 976 1HD2 LEU 976 9.321 -16.039 4.930 459 2HD2 LEU 976 2HD2 LEU 976 9.288 -17.261 3.658 460 3HD2 LEU 976 3HD2 LEU 976 10.505 -15.985 3.624 461 HA PRO 977 HA PRO 977 9.169 -19.979 3.179 462 1HB PRO 977 HB1 PRO 977 7.474 -21.293 5.229 463 2HB PRO 977 HB2 PRO 977 9.222 -21.029 5.217 464 1HG PRO 977 HG1 PRO 977 7.647 -19.600 6.813 465 2HG PRO 977 HG2 PRO 977 9.027 -18.847 5.986 466 1HD PRO 977 HD1 PRO 977 6.112 -18.745 5.286 467 2HD PRO 977 HD2 PRO 977 7.316 -17.439 5.281 468 H ALA 978 H ALA 978 5.695 -20.092 3.184 469 HA ALA 978 HA ALA 978 5.410 -22.622 1.932 470 1HB ALA 978 HB1 ALA 978 3.540 -20.255 1.876 471 2HB ALA 978 HB2 ALA 978 3.132 -21.914 1.445 472 3HB ALA 978 HB3 ALA 978 3.565 -21.516 3.107 473 H SER 979 H SER 979 5.023 -19.331 0.505 474 HA SER 979 HA SER 979 6.265 -20.171 -1.947 475 1HB SER 979 HB1 SER 979 3.265 -20.010 -1.718 476 2HB SER 979 HB2 SER 979 4.082 -19.773 -3.270 477 HG SER 979 HG SER 979 4.965 -21.982 -1.905 478 H THR 980 H THR 980 4.460 -17.697 -0.196 479 HA THR 980 HA THR 980 4.487 -15.751 -2.257 480 HB THR 980 HB THR 980 2.975 -15.790 -0.165 481 HG1 THR 980 HG1 THR 980 3.266 -13.260 -0.317 482 1HG2 THR 980 1HG2 THR 980 3.708 -14.245 1.605 483 2HG2 THR 980 2HG2 THR 980 4.722 -15.687 1.535 484 3HG2 THR 980 3HG2 THR 980 5.306 -14.165 0.861 485 H HIS 981 H HIS 981 7.060 -16.821 -0.351 486 HA HIS 981 HA HIS 981 8.460 -14.582 0.439 487 1HB HIS 981 HB1 HIS 981 9.316 -16.662 1.114 488 2HB HIS 981 HB2 HIS 981 9.332 -17.297 -0.522 489 HD1 HIS 981 HD1 HIS 981 11.347 -15.099 1.812 490 HD2 HIS 981 HD2 HIS 981 11.665 -16.881 -1.938 491 HE1 HIS 981 HE1 HIS 981 13.744 -14.810 1.118 492 HE2 HIS 981 HE2 HIS 981 13.902 -15.840 -1.178 493 H ARG 982 H ARG 982 7.893 -15.629 -2.760 494 HA ARG 982 HA ARG 982 10.072 -14.110 -3.927 495 1HB ARG 982 HB1 ARG 982 8.913 -14.600 -6.106 496 2HB ARG 982 HB2 ARG 982 9.400 -16.018 -5.191 497 1HG ARG 982 HG1 ARG 982 7.215 -16.555 -4.617 498 2HG ARG 982 HG2 ARG 982 6.623 -14.928 -4.957 499 1HD ARG 982 HD1 ARG 982 5.887 -16.440 -6.686 500 2HD ARG 982 HD2 ARG 982 7.052 -15.296 -7.350 501 HE ARG 982 HE ARG 982 8.503 -17.530 -6.613 502 1HH1 ARG 982 2HH1 ARG 982 5.883 -16.779 -8.806 503 2HH1 ARG 982 1HH1 ARG 982 6.290 -18.038 -9.929 504 1HH2 ARG 982 2HH2 ARG 982 9.074 -19.163 -8.105 505 2HH2 ARG 982 1HH2 ARG 982 8.123 -19.374 -9.551 506 H GLU 983 H GLU 983 6.511 -13.804 -3.884 507 HA GLU 983 HA GLU 983 6.593 -11.244 -5.120 508 1HB GLU 983 HB1 GLU 983 4.660 -13.158 -4.839 509 2HB GLU 983 HB2 GLU 983 4.120 -11.919 -3.727 510 1HG GLU 983 HG1 GLU 983 3.187 -10.966 -5.522 511 2HG GLU 983 HG2 GLU 983 4.838 -10.448 -5.912 512 H ILE 984 H ILE 984 5.938 -12.340 -1.802 513 HA ILE 984 HA ILE 984 5.018 -9.904 -0.812 514 HB ILE 984 HB ILE 984 4.865 -12.047 0.428 515 1HG1 ILE 984 1HG1 ILE 984 6.219 -9.789 1.928 516 2HG1 ILE 984 2HG1 ILE 984 4.498 -9.922 1.591 517 1HG2 ILE 984 1HG2 ILE 984 7.802 -11.592 0.961 518 2HG2 ILE 984 2HG2 ILE 984 6.795 -12.785 1.781 519 3HG2 ILE 984 3HG2 ILE 984 7.089 -12.923 0.047 520 1HD1 ILE 984 1HD1 ILE 984 4.382 -11.927 2.977 521 2HD1 ILE 984 2HD1 ILE 984 6.106 -11.785 3.322 522 3HD1 ILE 984 3HD1 ILE 984 4.988 -10.540 3.882 523 H GLU 985 H GLU 985 8.260 -11.087 -1.308 524 HA GLU 985 HA GLU 985 9.561 -8.931 0.007 525 1HB GLU 985 HB1 GLU 985 10.370 -11.251 -1.622 526 2HB GLU 985 HB2 GLU 985 11.459 -9.868 -1.667 527 1HG GLU 985 HG1 GLU 985 10.468 -11.111 0.882 528 2HG GLU 985 HG2 GLU 985 11.977 -11.574 0.088 529 H MET 986 H MET 986 8.467 -9.462 -3.325 530 HA MET 986 HA MET 986 10.057 -7.406 -4.415 531 1HB MET 986 HB1 MET 986 8.843 -7.579 -6.443 532 2HB MET 986 HB2 MET 986 9.038 -9.195 -5.794 533 1HG MET 986 HG1 MET 986 6.760 -9.283 -5.123 534 2HG MET 986 HG2 MET 986 6.528 -7.572 -5.484 535 1HE MET 986 HE1 MET 986 6.509 -6.561 -7.900 536 2HE MET 986 HE2 MET 986 8.087 -7.261 -8.260 537 3HE MET 986 HE3 MET 986 6.742 -7.497 -9.377 538 H ALA 987 H ALA 987 6.587 -7.305 -3.534 539 HA ALA 987 HA ALA 987 6.512 -4.526 -4.258 540 1HB ALA 987 HB1 ALA 987 4.341 -6.209 -3.040 541 2HB ALA 987 HB2 ALA 987 4.156 -4.607 -3.758 542 3HB ALA 987 HB3 ALA 987 4.620 -5.979 -4.766 543 H GLN 988 H GLN 988 6.566 -6.389 -1.251 544 HA GLN 988 HA GLN 988 5.823 -4.205 0.391 545 1HB GLN 988 HB1 GLN 988 5.604 -6.456 1.244 546 2HB GLN 988 HB2 GLN 988 7.329 -6.739 1.069 547 1HG GLN 988 HG1 GLN 988 6.819 -6.372 3.381 548 2HG GLN 988 HG2 GLN 988 7.759 -5.012 2.771 549 1HE2 GLN 988 2HE2 GLN 988 6.039 -5.132 5.085 550 2HE2 GLN 988 1HE2 GLN 988 4.821 -3.928 4.858 551 H LYS 989 H LYS 989 8.950 -5.410 -0.731 552 HA LYS 989 HA LYS 989 10.543 -3.580 0.745 553 1HB LYS 989 HB1 LYS 989 11.445 -5.596 -0.395 554 2HB LYS 989 HB2 LYS 989 11.119 -4.838 -1.947 555 1HG LYS 989 HG1 LYS 989 12.679 -3.025 -1.351 556 2HG LYS 989 HG2 LYS 989 13.045 -3.872 0.151 557 1HD LYS 989 HD1 LYS 989 13.452 -5.034 -2.602 558 2HD LYS 989 HD2 LYS 989 14.713 -4.236 -1.665 559 1HE LYS 989 HE1 LYS 989 15.047 -6.517 -1.267 560 2HE LYS 989 HE2 LYS 989 14.189 -5.946 0.161 561 1HZ LYS 989 HZ1 LYS 989 13.250 -8.018 -0.551 562 2HZ LYS 989 HZ2 LYS 989 12.124 -6.792 -0.842 563 3HZ LYS 989 HZ3 LYS 989 13.018 -7.432 -2.129 564 H LEU 990 H LEU 990 8.724 -3.439 -2.200 565 HA LEU 990 HA LEU 990 9.778 -0.968 -3.149 566 1HB LEU 990 HB1 LEU 990 8.801 -1.877 -4.937 567 2HB LEU 990 HB2 LEU 990 7.861 -2.970 -3.953 568 HG LEU 990 HG LEU 990 6.151 -1.158 -3.674 569 1HD1 LEU 990 1HD1 LEU 990 7.784 0.201 -5.830 570 2HD1 LEU 990 2HD1 LEU 990 6.217 0.733 -5.218 571 3HD1 LEU 990 3HD1 LEU 990 7.630 0.759 -4.164 572 1HD2 LEU 990 1HD2 LEU 990 6.801 -2.035 -6.480 573 2HD2 LEU 990 2HD2 LEU 990 5.891 -2.949 -5.277 574 3HD2 LEU 990 3HD2 LEU 990 5.238 -1.439 -5.916 575 H LEU 991 H LEU 991 7.088 -1.946 -1.117 576 HA LEU 991 HA LEU 991 5.862 0.634 -1.053 577 1HB LEU 991 HB1 LEU 991 5.464 -1.770 0.720 578 2HB LEU 991 HB2 LEU 991 4.450 -0.336 0.720 579 HG LEU 991 HG LEU 991 4.785 -2.342 -1.503 580 1HD1 LEU 991 1HD1 LEU 991 2.415 -1.481 0.160 581 2HD1 LEU 991 2HD1 LEU 991 2.361 -2.624 -1.181 582 3HD1 LEU 991 3HD1 LEU 991 3.272 -3.016 0.277 583 1HD2 LEU 991 1HD2 LEU 991 3.213 -0.950 -2.771 584 2HD2 LEU 991 2HD2 LEU 991 3.276 0.275 -1.504 585 3HD2 LEU 991 3HD2 LEU 991 4.721 -0.097 -2.444 586 H ASN 992 H ASN 992 8.219 -1.049 0.870 587 HA ASN 992 HA ASN 992 8.250 0.632 3.118 588 1HB ASN 992 HB1 ASN 992 9.487 -1.569 2.794 589 2HB ASN 992 HB2 ASN 992 10.648 -0.689 1.813 590 1HD2 ASN 992 2HD2 ASN 992 11.008 -2.168 4.289 591 2HD2 ASN 992 1HD2 ASN 992 11.682 -1.060 5.435 592 H SER 993 H SER 993 9.804 0.790 -0.031 593 HA SER 993 HA SER 993 11.304 3.152 0.571 594 1HB SER 993 HB1 SER 993 10.800 1.850 -2.110 595 2HB SER 993 HB2 SER 993 12.086 2.989 -1.715 596 HG SER 993 HG SER 993 11.790 0.293 -0.971 597 H ASP 994 H ASP 994 8.148 2.554 -0.937 598 HA ASP 994 HA ASP 994 8.237 5.208 -2.163 599 1HB ASP 994 HB1 ASP 994 6.490 4.588 -3.572 600 2HB ASP 994 HB2 ASP 994 7.414 3.102 -3.399 601 H LEU 995 H LEU 995 6.284 3.411 0.227 602 HA LEU 995 HA LEU 995 4.639 5.554 0.980 603 1HB LEU 995 HB1 LEU 995 4.287 3.270 1.823 604 2HB LEU 995 HB2 LEU 995 5.803 3.338 2.695 605 HG LEU 995 HG LEU 995 3.598 3.616 3.996 606 1HD1 LEU 995 1HD1 LEU 995 5.806 3.996 4.975 607 2HD1 LEU 995 2HD1 LEU 995 5.787 5.652 4.369 608 3HD1 LEU 995 3HD1 LEU 995 4.617 5.148 5.587 609 1HD2 LEU 995 1HD2 LEU 995 2.763 5.905 4.143 610 2HD2 LEU 995 2HD2 LEU 995 3.867 6.392 2.857 611 3HD2 LEU 995 3HD2 LEU 995 2.566 5.250 2.519 612 H ALA 996 H ALA 996 7.925 4.690 1.779 613 HA ALA 996 HA ALA 996 8.467 6.695 3.653 614 1HB ALA 996 HB1 ALA 996 10.817 6.393 3.129 615 2HB ALA 996 HB2 ALA 996 10.000 4.832 3.216 616 3HB ALA 996 HB3 ALA 996 10.390 5.537 1.647 617 H GLU 997 H GLU 997 9.058 6.789 0.095 618 HA GLU 997 HA GLU 997 9.877 9.448 0.208 619 1HB GLU 997 HB1 GLU 997 9.779 9.567 -2.133 620 2HB GLU 997 HB2 GLU 997 10.196 7.901 -1.767 621 1HG GLU 997 HG1 GLU 997 8.199 7.093 -2.521 622 2HG GLU 997 HG2 GLU 997 7.339 8.595 -2.185 623 H LEU 998 H LEU 998 6.661 8.078 0.056 624 HA LEU 998 HA LEU 998 5.468 10.516 -0.799 625 1HB LEU 998 HB1 LEU 998 4.527 7.871 -0.043 626 2HB LEU 998 HB2 LEU 998 3.442 9.157 0.463 627 HG LEU 998 HG LEU 998 2.784 8.362 -1.721 628 1HD1 LEU 998 1HD1 LEU 998 4.129 11.058 -1.830 629 2HD1 LEU 998 2HD1 LEU 998 2.897 10.483 -2.954 630 3HD1 LEU 998 3HD1 LEU 998 2.495 10.727 -1.253 631 1HD2 LEU 998 1HD2 LEU 998 5.583 9.096 -2.582 632 2HD2 LEU 998 2HD2 LEU 998 4.937 7.461 -2.444 633 3HD2 LEU 998 3HD2 LEU 998 4.282 8.569 -3.650 634 H ILE 999 H ILE 999 5.903 9.029 2.384 635 HA ILE 999 HA ILE 999 4.455 10.953 3.824 636 HB ILE 999 HB ILE 999 5.296 8.793 4.783 637 1HG1 ILE 999 1HG1 ILE 999 6.028 11.249 6.391 638 2HG1 ILE 999 2HG1 ILE 999 4.386 10.656 6.165 639 1HG2 ILE 999 1HG2 ILE 999 7.541 8.775 5.792 640 2HG2 ILE 999 2HG2 ILE 999 7.590 8.854 4.030 641 3HG2 ILE 999 3HG2 ILE 999 7.895 10.304 4.988 642 1HD1 ILE 999 1HD1 ILE 999 6.624 9.182 7.533 643 2HD1 ILE 999 2HD1 ILE 999 5.269 9.990 8.320 644 3HD1 ILE 999 3HD1 ILE 999 4.984 8.577 7.303 645 H ASN1000 H ASN1000 7.565 11.131 2.339 646 HA ASN1000 HA ASN1000 8.115 13.694 3.697 647 1HB ASN1000 HB1 ASN1000 10.290 13.115 3.658 648 2HB ASN1000 HB2 ASN1000 9.743 11.518 3.173 649 1HD2 ASN1000 2HD2 ASN1000 9.481 11.205 0.806 650 2HD2 ASN1000 1HD2 ASN1000 10.707 11.891 -0.212 651 H LYS1001 H LYS1001 6.823 12.495 0.850 652 HA LYS1001 HA LYS1001 7.613 14.740 -0.816 653 1HB LYS1001 HB1 LYS1001 5.645 12.485 -1.246 654 2HB LYS1001 HB2 LYS1001 5.785 13.833 -2.365 655 1HG LYS1001 HG1 LYS1001 8.001 11.921 -1.645 656 2HG LYS1001 HG2 LYS1001 7.031 11.870 -3.117 657 1HD LYS1001 HD1 LYS1001 7.901 14.002 -3.823 658 2HD LYS1001 HD2 LYS1001 8.753 14.206 -2.292 659 1HE LYS1001 HE1 LYS1001 10.312 13.501 -4.001 660 2HE LYS1001 HE2 LYS1001 10.114 12.220 -2.810 661 1HZ LYS1001 HZ1 LYS1001 10.093 11.261 -4.977 662 2HZ LYS1001 HZ2 LYS1001 8.516 11.156 -4.363 663 3HZ LYS1001 HZ3 LYS1001 8.902 12.338 -5.519 664 H MET1002 H MET1002 4.879 13.645 1.078 665 HA MET1002 HA MET1002 3.208 15.892 0.528 666 1HB MET1002 HB1 MET1002 3.214 14.025 2.905 667 2HB MET1002 HB2 MET1002 1.881 15.048 2.381 668 1HG MET1002 HG1 MET1002 3.039 12.815 0.742 669 2HG MET1002 HG2 MET1002 1.646 12.641 1.811 670 1HE MET1002 HE1 MET1002 -0.060 11.844 0.078 671 2HE MET1002 HE2 MET1002 -0.248 12.541 -1.532 672 3HE MET1002 HE3 MET1002 1.255 11.731 -1.092 673 H LYS1003 H LYS1003 5.403 14.848 3.056 674 HA LYS1003 HA LYS1003 5.373 17.115 4.658 675 1HB LYS1003 HB1 LYS1003 6.515 15.043 5.305 676 2HB LYS1003 HB2 LYS1003 7.697 15.279 4.022 677 1HG LYS1003 HG1 LYS1003 8.465 17.322 5.102 678 2HG LYS1003 HG2 LYS1003 7.282 17.092 6.389 679 1HD LYS1003 HD1 LYS1003 9.383 16.314 7.203 680 2HD LYS1003 HD2 LYS1003 8.387 14.894 6.878 681 1HE LYS1003 HE1 LYS1003 9.530 14.531 4.778 682 2HE LYS1003 HE2 LYS1003 10.467 16.008 5.001 683 1HZ LYS1003 HZ1 LYS1003 10.593 13.581 6.711 684 2HZ LYS1003 HZ2 LYS1003 11.768 14.089 5.593 685 3HZ LYS1003 HZ3 LYS1003 11.464 15.016 6.980 686 H LEU1004 H LEU1004 7.481 16.327 1.889 687 HA LEU1004 HA LEU1004 8.901 18.692 1.741 688 1HB LEU1004 HB1 LEU1004 9.390 16.655 0.450 689 2HB LEU1004 HB2 LEU1004 7.997 16.983 -0.560 690 HG LEU1004 HG LEU1004 9.068 19.111 -1.273 691 1HD1 LEU1004 1HD1 LEU1004 10.508 19.443 0.667 692 2HD1 LEU1004 2HD1 LEU1004 11.460 18.032 0.202 693 3HD1 LEU1004 3HD1 LEU1004 11.434 19.458 -0.836 694 1HD2 LEU1004 1HD2 LEU1004 10.740 18.053 -2.734 695 2HD2 LEU1004 2HD2 LEU1004 10.641 16.585 -1.761 696 3HD2 LEU1004 3HD2 LEU1004 9.233 17.138 -2.670 697 H ALA1005 H ALA1005 5.792 17.936 0.152 698 HA ALA1005 HA ALA1005 5.665 20.370 -1.253 699 1HB ALA1005 HB1 ALA1005 4.284 18.427 -1.837 700 2HB ALA1005 HB2 ALA1005 3.381 18.628 -0.336 701 3HB ALA1005 HB3 ALA1005 3.299 19.868 -1.587 702 H GLN1006 H GLN1006 4.164 19.366 1.761 703 HA GLN1006 HA GLN1006 3.153 21.885 2.489 704 1HB GLN1006 HB1 GLN1006 2.368 20.771 4.328 705 2HB GLN1006 HB2 GLN1006 2.771 19.373 3.336 706 1HG GLN1006 HG1 GLN1006 3.733 18.722 5.265 707 2HG GLN1006 HG2 GLN1006 5.088 19.623 4.589 708 1HE2 GLN1006 2HE2 GLN1006 5.938 20.022 6.643 709 2HE2 GLN1006 1HE2 GLN1006 5.219 21.160 7.726 710 H GLN1007 H GLN1007 6.272 20.561 2.466 711 HA GLN1007 HA GLN1007 7.450 22.167 4.514 712 1HB GLN1007 HB1 GLN1007 8.252 19.885 3.509 713 2HB GLN1007 HB2 GLN1007 9.008 20.911 2.293 714 1HG GLN1007 HG1 GLN1007 10.572 20.323 4.038 715 2HG GLN1007 HG2 GLN1007 10.264 22.064 4.036 716 1HE2 GLN1007 2HE2 GLN1007 8.016 19.696 5.269 717 2HE2 GLN1007 1HE2 GLN1007 8.178 20.125 6.946 718 H TYR1008 H TYR1008 6.985 22.393 1.089 719 HA TYR1008 HA TYR1008 8.751 24.598 0.683 720 1HB TYR1008 HB1 TYR1008 8.256 23.101 -1.138 721 2HB TYR1008 HB2 TYR1008 6.534 23.406 -0.986 722 HD1 TYR1008 HD1 TYR1008 5.837 24.365 -2.943 723 HD2 TYR1008 HD2 TYR1008 9.435 25.755 -1.144 724 HE1 TYR1008 HE1 TYR1008 5.991 26.147 -4.634 725 HE2 TYR1008 HE2 TYR1008 9.599 27.540 -2.828 726 HH TYR1008 HH TYR1008 6.989 28.248 -5.000 727 H VAL1009 H VAL1009 5.276 24.515 0.046 728 HA VAL1009 HA VAL1009 3.855 26.306 -0.166 729 HB VAL1009 HB VAL1009 3.207 25.180 1.863 730 1HG1 VAL1009 1HG1 VAL1009 5.211 25.272 3.170 731 2HG1 VAL1009 2HG1 VAL1009 5.101 27.028 3.298 732 3HG1 VAL1009 3HG1 VAL1009 3.896 26.008 4.085 733 1HG2 VAL1009 1HG2 VAL1009 1.999 26.990 2.983 734 2HG2 VAL1009 2HG2 VAL1009 3.013 28.173 2.156 735 3HG2 VAL1009 3HG2 VAL1009 1.929 27.137 1.227 736 H MET1010 H MET1010 5.209 27.718 -1.370 737 HA MET1010 HA MET1010 5.821 30.182 0.118 738 1HB MET1010 HB1 MET1010 7.765 28.796 -1.733 739 2HB MET1010 HB2 MET1010 7.938 30.467 -1.218 740 1HG MET1010 HG1 MET1010 8.119 29.751 1.097 741 2HG MET1010 HG2 MET1010 7.894 28.073 0.607 742 1HE MET1010 HE1 MET1010 10.097 27.400 1.912 743 2HE MET1010 HE2 MET1010 11.659 28.184 1.669 744 3HE MET1010 HE3 MET1010 10.326 29.079 2.399 745 H THR1011 H THR1011 7.076 30.009 -3.061 746 HA THR1011 HA THR1011 5.052 31.820 -4.074 747 HB THR1011 HB THR1011 7.364 30.592 -5.593 748 HG1 THR1011 HG1 THR1011 8.674 32.042 -4.688 749 1HG2 THR1011 1HG2 THR1011 5.709 31.733 -6.979 750 2HG2 THR1011 2HG2 THR1011 5.823 33.166 -5.958 751 3HG2 THR1011 3HG2 THR1011 7.209 32.658 -6.925 752 H SER1012 H SER1012 3.456 31.272 -5.634 753 HA SER1012 HA SER1012 1.680 29.828 -5.914 754 1HB SER1012 HB1 SER1012 2.215 27.950 -7.535 755 2HB SER1012 HB2 SER1012 2.703 29.550 -8.079 756 HG SER1012 HG SER1012 4.662 28.293 -6.660 757 H LEU1013 H LEU1013 1.795 29.486 -3.563 758 HA LEU1013 HA LEU1013 3.948 28.370 -2.389 759 1HB LEU1013 HB1 LEU1013 2.460 28.068 -0.355 760 2HB LEU1013 HB2 LEU1013 2.593 29.670 -1.048 761 HG LEU1013 HG LEU1013 0.367 28.651 -2.314 762 1HD1 LEU1013 1HD1 LEU1013 0.368 26.705 -0.817 763 2HD1 LEU1013 2HD1 LEU1013 0.278 27.787 0.572 764 3HD1 LEU1013 3HD1 LEU1013 -1.053 27.724 -0.582 765 1HD2 LEU1013 1HD2 LEU1013 -0.870 30.187 -0.878 766 2HD2 LEU1013 2HD2 LEU1013 0.509 30.282 0.217 767 3HD2 LEU1013 3HD2 LEU1013 0.644 30.904 -1.429 768 H GLN1014 H GLN1014 0.875 26.539 -2.685 769 HA GLN1014 HA GLN1014 2.386 24.224 -1.845 770 1HB GLN1014 HB1 GLN1014 -0.391 24.982 -1.790 771 2HB GLN1014 HB2 GLN1014 -0.199 23.378 -2.490 772 1HG GLN1014 HG1 GLN1014 0.785 24.306 0.198 773 2HG GLN1014 HG2 GLN1014 -0.527 23.175 -0.124 774 1HE2 GLN1014 2HE2 GLN1014 1.087 21.979 -2.352 775 2HE2 GLN1014 1HE2 GLN1014 2.252 20.990 -1.551 776 H GLN1015 H GLN1015 0.939 25.429 -4.785 777 HA GLN1015 HA GLN1015 0.138 22.933 -5.766 778 1HB GLN1015 HB1 GLN1015 0.540 25.532 -7.209 779 2HB GLN1015 HB2 GLN1015 -0.226 24.111 -7.909 780 1HG GLN1015 HG1 GLN1015 -1.882 24.180 -6.048 781 2HG GLN1015 HG2 GLN1015 -1.176 25.719 -5.554 782 1HE2 GLN1015 2HE2 GLN1015 -1.473 27.530 -6.839 783 2HE2 GLN1015 1HE2 GLN1015 -2.676 27.594 -8.086 784 H GLU1016 H GLU1016 2.945 24.877 -6.825 785 HA GLU1016 HA GLU1016 3.911 23.200 -8.763 786 1HB GLU1016 HB1 GLU1016 4.976 25.336 -8.230 787 2HB GLU1016 HB2 GLU1016 5.598 24.664 -6.728 788 1HG GLU1016 HG1 GLU1016 7.282 24.763 -8.533 789 2HG GLU1016 HG2 GLU1016 7.003 23.136 -7.921 790 H TYR1017 H TYR1017 4.728 22.944 -5.298 791 HA TYR1017 HA TYR1017 6.105 20.471 -5.663 792 1HB TYR1017 HB1 TYR1017 5.324 22.136 -3.334 793 2HB TYR1017 HB2 TYR1017 5.598 20.424 -3.049 794 HD1 TYR1017 HD1 TYR1017 7.434 22.277 -5.626 795 HD2 TYR1017 HD2 TYR1017 7.552 20.774 -1.631 796 HE1 TYR1017 HE1 TYR1017 9.858 22.668 -5.553 797 HE2 TYR1017 HE2 TYR1017 9.980 21.157 -1.569 798 HH TYR1017 HH TYR1017 11.868 21.326 -3.269 799 H LYS1018 H LYS1018 2.804 21.377 -5.152 800 HA LYS1018 HA LYS1018 1.844 18.886 -4.196 801 1HB LYS1018 HB1 LYS1018 0.539 20.976 -4.022 802 2HB LYS1018 HB2 LYS1018 0.375 21.009 -5.773 803 1HG LYS1018 HG1 LYS1018 -0.574 18.528 -5.189 804 2HG LYS1018 HG2 LYS1018 -1.082 19.450 -3.773 805 1HD LYS1018 HD1 LYS1018 -2.201 21.069 -5.178 806 2HD LYS1018 HD2 LYS1018 -1.603 20.260 -6.630 807 1HE LYS1018 HE1 LYS1018 -2.826 18.206 -5.870 808 2HE LYS1018 HE2 LYS1018 -3.557 19.188 -4.603 809 1HZ LYS1018 HZ1 LYS1018 -4.993 18.981 -6.539 810 2HZ LYS1018 HZ2 LYS1018 -4.539 20.597 -6.292 811 3HZ LYS1018 HZ3 LYS1018 -3.806 19.688 -7.521 812 H LYS1019 H LYS1019 2.490 20.164 -7.408 813 HA LYS1019 HA LYS1019 1.257 18.140 -8.933 814 1HB LYS1019 HB1 LYS1019 3.864 19.540 -9.576 815 2HB LYS1019 HB2 LYS1019 2.777 18.769 -10.720 816 1HG LYS1019 HG1 LYS1019 1.149 20.466 -10.452 817 2HG LYS1019 HG2 LYS1019 1.990 21.144 -9.055 818 1HD LYS1019 HD1 LYS1019 3.924 21.638 -10.559 819 2HD LYS1019 HD2 LYS1019 2.928 21.125 -11.919 820 1HE LYS1019 HE1 LYS1019 1.332 22.879 -11.459 821 2HE LYS1019 HE2 LYS1019 2.232 23.357 -10.020 822 1HZ LYS1019 HZ1 LYS1019 3.297 23.454 -12.792 823 2HZ LYS1019 HZ2 LYS1019 2.675 24.788 -11.953 824 3HZ LYS1019 HZ3 LYS1019 4.080 24.014 -11.394 825 H GLN1020 H GLN1020 4.668 18.505 -8.123 826 HA GLN1020 HA GLN1020 5.624 15.981 -8.521 827 1HB GLN1020 HB1 GLN1020 6.336 17.693 -6.132 828 2HB GLN1020 HB2 GLN1020 7.363 16.507 -6.932 829 1HG GLN1020 HG1 GLN1020 7.507 17.863 -8.900 830 2HG GLN1020 HG2 GLN1020 6.315 18.993 -8.263 831 1HE2 GLN1020 2HE2 GLN1020 7.655 20.757 -8.402 832 2HE2 GLN1020 1HE2 GLN1020 9.028 20.980 -7.371 833 H MET1021 H MET1021 4.025 17.163 -5.597 834 HA MET1021 HA MET1021 4.081 14.885 -4.011 835 1HB MET1021 HB1 MET1021 3.370 16.803 -2.937 836 2HB MET1021 HB2 MET1021 2.306 17.275 -4.249 837 1HG MET1021 HG1 MET1021 0.806 15.374 -3.567 838 2HG MET1021 HG2 MET1021 1.819 15.202 -2.131 839 1HE MET1021 HE1 MET1021 -1.393 15.806 -2.258 840 2HE MET1021 HE2 MET1021 -0.527 15.519 -0.748 841 3HE MET1021 HE3 MET1021 -1.549 16.946 -0.921 842 H LEU1022 H LEU1022 1.502 15.907 -6.250 843 HA LEU1022 HA LEU1022 -0.199 13.717 -5.742 844 1HB LEU1022 HB1 LEU1022 -0.615 16.031 -6.901 845 2HB LEU1022 HB2 LEU1022 -0.183 15.171 -8.365 846 HG LEU1022 HG LEU1022 -2.428 14.306 -6.537 847 1HD1 LEU1022 1HD1 LEU1022 -2.898 16.525 -7.409 848 2HD1 LEU1022 2HD1 LEU1022 -2.545 15.971 -9.046 849 3HD1 LEU1022 3HD1 LEU1022 -3.933 15.319 -8.176 850 1HD2 LEU1022 1HD2 LEU1022 -1.521 12.551 -7.996 851 2HD2 LEU1022 2HD2 LEU1022 -3.161 13.005 -8.461 852 3HD2 LEU1022 3HD2 LEU1022 -1.785 13.588 -9.398 853 H THR1023 H THR1023 2.174 14.311 -8.306 854 HA THR1023 HA THR1023 1.690 11.993 -9.811 855 HB THR1023 HB THR1023 4.359 13.387 -9.517 856 HG1 THR1023 HG1 THR1023 2.907 14.993 -10.024 857 1HG2 THR1023 1HG2 THR1023 4.415 11.295 -10.794 858 2HG2 THR1023 2HG2 THR1023 3.117 11.887 -11.829 859 3HG2 THR1023 3HG2 THR1023 4.688 12.686 -11.842 860 H ALA1024 H ALA1024 3.543 12.562 -6.927 861 HA ALA1024 HA ALA1024 4.956 10.041 -7.008 862 1HB ALA1024 HB1 ALA1024 5.793 10.664 -4.807 863 2HB ALA1024 HB2 ALA1024 5.964 12.007 -5.938 864 3HB ALA1024 HB3 ALA1024 4.665 12.019 -4.745 865 H ALA1025 H ALA1025 2.248 11.462 -5.238 866 HA ALA1025 HA ALA1025 1.644 9.303 -3.563 867 1HB ALA1025 HB1 ALA1025 -0.270 11.304 -4.767 868 2HB ALA1025 HB2 ALA1025 -0.579 10.287 -3.361 869 3HB ALA1025 HB3 ALA1025 0.666 11.535 -3.290 870 H HIS1026 H HIS1026 0.889 9.896 -6.921 871 HA HIS1026 HA HIS1026 -1.022 7.817 -7.151 872 1HB HIS1026 HB1 HIS1026 -0.915 9.657 -8.784 873 2HB HIS1026 HB2 HIS1026 0.685 9.125 -9.285 874 HD1 HIS1026 HD1 HIS1026 0.745 7.600 -11.243 875 HD2 HIS1026 HD2 HIS1026 -2.973 7.599 -9.385 876 HE1 HIS1026 HE1 HIS1026 -0.746 6.214 -12.716 877 HE2 HIS1026 HE2 HIS1026 -3.028 6.385 -11.668 878 H ALA1027 H ALA1027 2.465 7.983 -7.653 879 HA ALA1027 HA ALA1027 2.846 5.362 -8.575 880 1HB ALA1027 HB1 ALA1027 5.141 5.581 -7.745 881 2HB ALA1027 HB2 ALA1027 4.632 7.036 -8.601 882 3HB ALA1027 HB3 ALA1027 4.678 7.021 -6.837 883 H LEU1028 H LEU1028 2.644 6.694 -5.317 884 HA LEU1028 HA LEU1028 3.194 4.329 -3.877 885 1HB LEU1028 HB1 LEU1028 3.256 6.481 -2.761 886 2HB LEU1028 HB2 LEU1028 1.568 6.761 -3.140 887 HG LEU1028 HG LEU1028 1.944 4.307 -1.613 888 1HD1 LEU1028 1HD1 LEU1028 2.468 5.392 0.503 889 2HD1 LEU1028 2HD1 LEU1028 3.799 5.540 -0.645 890 3HD1 LEU1028 3HD1 LEU1028 2.737 6.915 -0.343 891 1HD2 LEU1028 1HD2 LEU1028 0.324 6.812 -1.174 892 2HD2 LEU1028 2HD2 LEU1028 -0.222 5.342 -1.982 893 3HD2 LEU1028 3HD2 LEU1028 0.161 5.311 -0.261 894 H ALA1029 H ALA1029 0.121 5.892 -4.654 895 HA ALA1029 HA ALA1029 -1.574 4.019 -3.527 896 1HB ALA1029 HB1 ALA1029 -2.295 6.229 -4.293 897 2HB ALA1029 HB2 ALA1029 -2.118 5.706 -5.968 898 3HB ALA1029 HB3 ALA1029 -3.330 4.952 -4.930 899 H VAL1030 H VAL1030 -0.118 4.021 -6.745 900 HA VAL1030 HA VAL1030 -1.596 1.737 -7.632 901 HB VAL1030 HB VAL1030 0.889 3.054 -8.748 902 1HG1 VAL1030 1HG1 VAL1030 0.481 1.741 -10.783 903 2HG1 VAL1030 2HG1 VAL1030 0.863 0.711 -9.404 904 3HG1 VAL1030 3HG1 VAL1030 -0.805 0.866 -9.954 905 1HG2 VAL1030 1HG2 VAL1030 -0.645 3.878 -10.477 906 2HG2 VAL1030 2HG2 VAL1030 -1.993 3.109 -9.638 907 3HG2 VAL1030 3HG2 VAL1030 -1.114 4.430 -8.869 908 H ASP1031 H ASP1031 1.669 2.267 -6.390 909 HA ASP1031 HA ASP1031 2.413 -0.435 -6.527 910 1HB ASP1031 HB1 ASP1031 3.510 1.887 -4.992 911 2HB ASP1031 HB2 ASP1031 4.182 0.266 -4.799 912 H ALA1032 H ALA1032 0.728 1.319 -3.917 913 HA ALA1032 HA ALA1032 0.442 -0.728 -2.046 914 1HB ALA1032 HB1 ALA1032 -1.712 1.087 -3.141 915 2HB ALA1032 HB2 ALA1032 -1.787 0.188 -1.626 916 3HB ALA1032 HB3 ALA1032 -0.602 1.479 -1.827 917 H LYS1033 H LYS1033 -1.404 -0.165 -4.996 918 HA LYS1033 HA LYS1033 -2.937 -2.518 -4.890 919 1HB LYS1033 HB1 LYS1033 -2.232 -0.763 -7.240 920 2HB LYS1033 HB2 LYS1033 -3.388 -2.086 -7.320 921 1HG LYS1033 HG1 LYS1033 -4.676 -0.959 -5.498 922 2HG LYS1033 HG2 LYS1033 -3.587 0.418 -5.667 923 1HD LYS1033 HD1 LYS1033 -5.237 -0.715 -7.920 924 2HD LYS1033 HD2 LYS1033 -5.747 0.635 -6.907 925 1HE LYS1033 HE1 LYS1033 -3.750 1.887 -7.617 926 2HE LYS1033 HE2 LYS1033 -3.295 0.542 -8.664 927 1HZ LYS1033 HZ1 LYS1033 -4.444 2.305 -9.875 928 2HZ LYS1033 HZ2 LYS1033 -5.318 0.854 -9.921 929 3HZ LYS1033 HZ3 LYS1033 -5.814 2.110 -8.891 930 H ASN1034 H ASN1034 0.399 -2.148 -5.753 931 HA ASN1034 HA ASN1034 0.452 -4.409 -7.534 932 1HB ASN1034 HB1 ASN1034 2.182 -2.617 -7.623 933 2HB ASN1034 HB2 ASN1034 2.771 -3.150 -6.050 934 1HD2 ASN1034 2HD2 ASN1034 4.785 -3.688 -6.845 935 2HD2 ASN1034 1HD2 ASN1034 5.061 -5.056 -7.855 936 H LEU1035 H LEU1035 0.922 -3.848 -4.116 937 HA LEU1035 HA LEU1035 1.916 -6.510 -3.584 938 1HB LEU1035 HB1 LEU1035 2.510 -4.545 -2.172 939 2HB LEU1035 HB2 LEU1035 0.832 -4.431 -1.669 940 HG LEU1035 HG LEU1035 1.070 -6.752 -0.711 941 1HD1 LEU1035 1HD1 LEU1035 3.030 -7.458 -1.969 942 2HD1 LEU1035 2HD1 LEU1035 3.995 -6.205 -1.188 943 3HD1 LEU1035 3HD1 LEU1035 3.332 -7.531 -0.233 944 1HD2 LEU1035 1HD2 LEU1035 2.188 -5.975 1.289 945 2HD2 LEU1035 2HD2 LEU1035 2.865 -4.611 0.398 946 3HD2 LEU1035 3HD2 LEU1035 1.123 -4.726 0.646 947 H LEU1036 H LEU1036 -1.083 -4.961 -3.936 948 HA LEU1036 HA LEU1036 -2.885 -6.606 -2.616 949 1HB LEU1036 HB1 LEU1036 -3.445 -4.474 -3.730 950 2HB LEU1036 HB2 LEU1036 -3.140 -5.207 -5.290 951 HG LEU1036 HG LEU1036 -5.032 -6.795 -4.808 952 1HD1 LEU1036 1HD1 LEU1036 -5.478 -4.874 -2.536 953 2HD1 LEU1036 2HD1 LEU1036 -6.626 -6.096 -3.084 954 3HD1 LEU1036 3HD1 LEU1036 -5.075 -6.587 -2.404 955 1HD2 LEU1036 1HD2 LEU1036 -5.290 -4.850 -6.268 956 2HD2 LEU1036 2HD2 LEU1036 -6.761 -5.160 -5.347 957 3HD2 LEU1036 3HD2 LEU1036 -5.681 -3.849 -4.869 958 H ASP1037 H ASP1037 -1.613 -6.727 -5.851 959 HA ASP1037 HA ASP1037 -2.779 -9.257 -6.528 960 1HB ASP1037 HB1 ASP1037 -0.711 -7.510 -7.843 961 2HB ASP1037 HB2 ASP1037 -1.027 -9.134 -8.442 962 H VAL1038 H VAL1038 0.220 -8.149 -5.208 963 HA VAL1038 HA VAL1038 1.785 -10.466 -5.366 964 HB VAL1038 HB VAL1038 1.744 -8.141 -3.459 965 1HG1 VAL1038 1HG1 VAL1038 3.833 -8.942 -2.484 966 2HG1 VAL1038 2HG1 VAL1038 2.513 -10.070 -2.171 967 3HG1 VAL1038 3HG1 VAL1038 3.703 -10.432 -3.421 968 1HG2 VAL1038 1HG2 VAL1038 2.535 -7.728 -5.713 969 2HG2 VAL1038 2HG2 VAL1038 3.872 -7.624 -4.568 970 3HG2 VAL1038 3HG2 VAL1038 3.682 -9.059 -5.576 971 H ILE1039 H ILE1039 0.010 -9.330 -2.514 972 HA ILE1039 HA ILE1039 0.295 -11.817 -1.169 973 HB ILE1039 HB ILE1039 -1.655 -9.802 -0.168 974 1HG1 ILE1039 1HG1 ILE1039 1.349 -9.452 -0.038 975 2HG1 ILE1039 2HG1 ILE1039 0.246 -8.427 -0.956 976 1HG2 ILE1039 1HG2 ILE1039 -0.737 -10.485 1.956 977 2HG2 ILE1039 2HG2 ILE1039 -1.116 -11.920 1.001 978 3HG2 ILE1039 3HG2 ILE1039 0.552 -11.372 1.142 979 1HD1 ILE1039 1HD1 ILE1039 0.844 -7.364 1.121 980 2HD1 ILE1039 2HD1 ILE1039 -0.871 -7.793 1.125 981 3HD1 ILE1039 3HD1 ILE1039 0.288 -8.771 2.031 982 H ASP1040 H ASP1040 -2.319 -10.264 -3.024 983 HA ASP1040 HA ASP1040 -4.210 -12.275 -2.538 984 1HB ASP1040 HB1 ASP1040 -4.901 -10.408 -3.898 985 2HB ASP1040 HB2 ASP1040 -3.685 -10.784 -5.119 986 H GLN1041 H GLN1041 -1.437 -12.192 -4.740 987 HA GLN1041 HA GLN1041 -1.820 -14.885 -5.565 988 1HB GLN1041 HB1 GLN1041 0.588 -13.095 -5.628 989 2HB GLN1041 HB2 GLN1041 0.681 -14.796 -6.075 990 1HG GLN1041 HG1 GLN1041 -1.077 -12.714 -7.364 991 2HG GLN1041 HG2 GLN1041 0.402 -13.399 -8.040 992 1HE2 GLN1041 2HE2 GLN1041 0.375 -15.462 -8.891 993 2HE2 GLN1041 1HE2 GLN1041 -1.100 -16.321 -9.197 994 H ALA1042 H ALA1042 -0.118 -13.367 -2.851 995 HA ALA1042 HA ALA1042 1.044 -15.583 -1.737 996 1HB ALA1042 HB1 ALA1042 -0.413 -13.428 -0.237 997 2HB ALA1042 HB2 ALA1042 0.765 -14.549 0.445 998 3HB ALA1042 HB3 ALA1042 1.268 -13.366 -0.764 999 H ARG1043 H ARG1043 -2.267 -14.443 -1.312 1000 HA ARG1043 HA ARG1043 -3.469 -16.448 0.064 1001 1HB ARG1043 HB1 ARG1043 -5.001 -14.870 -0.495 1002 2HB ARG1043 HB2 ARG1043 -4.292 -14.590 -2.072 1003 1HG ARG1043 HG1 ARG1043 -5.761 -17.130 -1.726 1004 2HG ARG1043 HG2 ARG1043 -6.717 -15.647 -1.704 1005 1HD ARG1043 HD1 ARG1043 -5.621 -15.001 -3.853 1006 2HD ARG1043 HD2 ARG1043 -4.860 -16.588 -3.884 1007 HE ARG1043 HE ARG1043 -7.516 -17.148 -3.646 1008 1HH1 ARG1043 2HH1 ARG1043 -5.661 -15.136 -5.817 1009 2HH1 ARG1043 1HH1 ARG1043 -6.699 -15.413 -7.183 1010 1HH2 ARG1043 2HH2 ARG1043 -8.916 -17.510 -5.442 1011 2HH2 ARG1043 1HH2 ARG1043 -8.529 -16.781 -6.974 1012 H LEU1044 H LEU1044 -2.838 -16.557 -3.447 1013 HA LEU1044 HA LEU1044 -3.674 -19.311 -3.608 1014 1HB LEU1044 HB1 LEU1044 -3.320 -17.232 -5.396 1015 2HB LEU1044 HB2 LEU1044 -2.095 -18.393 -5.848 1016 HG LEU1044 HG LEU1044 -5.055 -18.955 -5.630 1017 1HD1 LEU1044 1HD1 LEU1044 -4.971 -19.119 -8.074 1018 2HD1 LEU1044 2HD1 LEU1044 -4.552 -17.502 -7.505 1019 3HD1 LEU1044 3HD1 LEU1044 -3.284 -18.604 -8.043 1020 1HD2 LEU1044 1HD2 LEU1044 -3.722 -20.928 -5.136 1021 2HD2 LEU1044 2HD2 LEU1044 -4.498 -21.083 -6.712 1022 3HD2 LEU1044 3HD2 LEU1044 -2.785 -20.682 -6.610 1023 H LYS1045 H LYS1045 -0.704 -17.652 -2.997 1024 HA LYS1045 HA LYS1045 1.118 -19.712 -3.643 1025 1HB LYS1045 HB1 LYS1045 1.240 -17.519 -1.564 1026 2HB LYS1045 HB2 LYS1045 2.579 -18.604 -1.891 1027 1HG LYS1045 HG1 LYS1045 1.348 -16.638 -3.795 1028 2HG LYS1045 HG2 LYS1045 2.920 -16.522 -3.001 1029 1HD LYS1045 HD1 LYS1045 3.789 -18.339 -4.258 1030 2HD LYS1045 HD2 LYS1045 2.189 -18.787 -4.849 1031 1HE LYS1045 HE1 LYS1045 3.463 -16.138 -5.466 1032 2HE LYS1045 HE2 LYS1045 3.715 -17.563 -6.471 1033 1HZ LYS1045 HZ1 LYS1045 1.379 -17.672 -6.928 1034 2HZ LYS1045 HZ2 LYS1045 1.053 -16.408 -5.847 1035 3HZ LYS1045 HZ3 LYS1045 1.917 -16.097 -7.272 1036 H MET1046 H MET1046 -0.746 -18.900 -0.796 1037 HA MET1046 HA MET1046 0.250 -20.903 0.903 1038 1HB MET1046 HB1 MET1046 -1.172 -18.987 1.607 1039 2HB MET1046 HB2 MET1046 -2.544 -19.760 0.828 1040 1HG MET1046 HG1 MET1046 -0.980 -21.195 2.907 1041 2HG MET1046 HG2 MET1046 -2.207 -20.013 3.377 1042 1HE MET1046 HE1 MET1046 -2.260 -23.074 4.284 1043 2HE MET1046 HE2 MET1046 -3.494 -21.907 4.753 1044 3HE MET1046 HE3 MET1046 -3.969 -23.460 4.067 1045 H ILE1047 H ILE1047 -2.484 -20.889 -1.338 1046 HA ILE1047 HA ILE1047 -3.199 -23.597 -1.030 1047 HB ILE1047 HB ILE1047 -3.540 -21.779 -3.421 1048 1HG1 ILE1047 1HG1 ILE1047 -4.683 -20.949 -1.450 1049 2HG1 ILE1047 2HG1 ILE1047 -5.868 -21.592 -2.583 1050 1HG2 ILE1047 1HG2 ILE1047 -5.271 -23.357 -4.158 1051 2HG2 ILE1047 2HG2 ILE1047 -3.674 -24.106 -4.116 1052 3HG2 ILE1047 3HG2 ILE1047 -4.837 -24.437 -2.833 1053 1HD1 ILE1047 1HD1 ILE1047 -4.842 -22.965 -0.107 1054 2HD1 ILE1047 2HD1 ILE1047 -6.428 -22.223 -0.321 1055 3HD1 ILE1047 3HD1 ILE1047 -5.991 -23.652 -1.256 1056 H SER1048 H SER1048 -1.097 -21.970 -3.385 1057 HA SER1048 HA SER1048 -0.332 -24.084 -4.962 1058 1HB SER1048 HB1 SER1048 0.300 -21.667 -5.240 1059 2HB SER1048 HB2 SER1048 1.541 -21.905 -4.007 1060 HG SER1048 HG SER1048 2.331 -23.642 -5.426 1061 H GLN1049 H GLN1049 0.863 -23.303 -1.737 1062 HA GLN1049 HA GLN1049 2.963 -25.267 -1.831 1063 1HB GLN1049 HB1 GLN1049 2.959 -23.121 -0.459 1064 2HB GLN1049 HB2 GLN1049 1.831 -23.919 0.623 1065 1HG GLN1049 HG1 GLN1049 4.446 -25.210 0.001 1066 2HG GLN1049 HG2 GLN1049 4.378 -23.878 1.149 1067 1HE2 GLN1049 2HE2 GLN1049 3.675 -27.196 0.569 1068 2HE2 GLN1049 1HE2 GLN1049 3.121 -27.578 2.163 1069 H SER1050 H SER1050 -0.179 -24.998 -0.181 1070 HA SER1050 HA SER1050 -0.041 -27.498 1.118 1071 1HB SER1050 HB1 SER1050 -2.509 -25.934 0.327 1072 2HB SER1050 HB2 SER1050 -2.413 -27.176 1.577 1073 HG SER1050 HG SER1050 -1.468 -24.538 1.586 1074 H ARG1051 H ARG1051 -1.613 -26.489 -1.889 1075 HA ARG1051 HA ARG1051 -1.213 -28.943 -3.218 1076 1HB ARG1051 HB1 ARG1051 -3.100 -29.477 -1.519 1077 2HB ARG1051 HB2 ARG1051 -4.113 -28.458 -2.525 1078 1HG ARG1051 HG1 ARG1051 -2.673 -30.920 -3.495 1079 2HG ARG1051 HG2 ARG1051 -4.354 -30.882 -2.970 1080 1HD ARG1051 HD1 ARG1051 -3.119 -29.520 -5.353 1081 2HD ARG1051 HD2 ARG1051 -4.359 -30.773 -5.342 1082 HE ARG1051 HE ARG1051 -4.810 -28.028 -4.347 1083 1HH1 ARG1051 2HH1 ARG1051 -5.851 -30.849 -6.143 1084 2HH1 ARG1051 1HH1 ARG1051 -7.412 -30.195 -6.512 1085 1HH2 ARG1051 2HH2 ARG1051 -6.852 -27.154 -4.845 1086 2HH2 ARG1051 1HH2 ARG1051 -7.997 -28.082 -5.768 1087 HA PRO1052 HA PRO1052 -1.852 -25.275 -5.826 1088 1HB PRO1052 HB1 PRO1052 -0.414 -26.228 -7.945 1089 2HB PRO1052 HB2 PRO1052 0.312 -25.417 -6.554 1090 1HG PRO1052 HG1 PRO1052 0.107 -28.336 -7.159 1091 2HG PRO1052 HG2 PRO1052 1.460 -27.428 -6.458 1092 1HD PRO1052 HD1 PRO1052 -0.236 -28.930 -4.962 1093 2HD PRO1052 HD2 PRO1052 0.548 -27.462 -4.343 1094 H HIS1053 H HIS1053 -1.573 -28.222 -7.785 1095 HA HIS1053 HA HIS1053 -4.413 -28.118 -8.427 1096 1HB HIS1053 HB1 HIS1053 -2.229 -27.966 -10.527 1097 2HB HIS1053 HB2 HIS1053 -3.920 -28.299 -10.877 1098 HD1 HIS1053 HD1 HIS1053 -1.598 -25.610 -10.874 1099 HD2 HIS1053 HD2 HIS1053 -5.611 -26.000 -9.839 1100 HE1 HIS1053 HE1 HIS1053 -2.539 -23.274 -10.905 1101 HE2 HIS1053 HE2 HIS1053 -4.957 -23.522 -10.223 Start of MODEL 3 1 1H ARG 920 H ARG 920 -7.497 -19.412 -3.531 2 HA ARG 920 HA ARG 920 -8.764 -19.002 -0.934 3 1HB ARG 920 HB1 ARG 920 -6.277 -19.129 -1.064 4 2HB ARG 920 HB2 ARG 920 -6.298 -17.664 -2.040 5 1HG ARG 920 HG1 ARG 920 -5.895 -16.817 0.042 6 2HG ARG 920 HG2 ARG 920 -7.653 -16.684 -0.057 7 1HD ARG 920 HD1 ARG 920 -6.028 -18.778 1.388 8 2HD ARG 920 HD2 ARG 920 -7.090 -17.567 2.099 9 HE ARG 920 HE ARG 920 -8.444 -19.382 0.325 10 1HH1 ARG 920 2HH1 ARG 920 -7.371 -18.830 3.606 11 2HH1 ARG 920 1HH1 ARG 920 -8.442 -20.006 4.304 12 1HH2 ARG 920 2HH2 ARG 920 -9.869 -20.936 1.231 13 2HH2 ARG 920 1HH2 ARG 920 -9.856 -21.216 2.946 14 H SER 921 H SER 921 -10.200 -17.467 -0.659 15 HA SER 921 HA SER 921 -10.820 -15.639 -2.788 16 1HB SER 921 HB1 SER 921 -12.047 -15.893 -0.042 17 2HB SER 921 HB2 SER 921 -12.759 -15.101 -1.449 18 HG SER 921 HG SER 921 -12.626 -17.215 -2.493 19 H ASN 922 H ASN 922 -8.317 -15.072 -1.913 20 HA ASN 922 HA ASN 922 -6.916 -13.426 -1.187 21 1HB ASN 922 HB1 ASN 922 -8.704 -11.197 -1.522 22 2HB ASN 922 HB2 ASN 922 -7.278 -11.635 -2.453 23 1HD2 ASN 922 2HD2 ASN 922 -7.515 -13.235 -4.086 24 2HD2 ASN 922 1HD2 ASN 922 -9.008 -13.354 -4.966 25 H ASP 923 H ASP 923 -7.117 -14.215 0.895 26 HA ASP 923 HA ASP 923 -8.730 -13.602 2.976 27 1HB ASP 923 HB1 ASP 923 -6.466 -14.979 2.638 28 2HB ASP 923 HB2 ASP 923 -5.801 -13.584 3.470 29 H LYS 924 H LYS 924 -7.705 -12.401 4.992 30 HA LYS 924 HA LYS 924 -8.110 -9.707 4.895 31 1HB LYS 924 HB1 LYS 924 -7.578 -11.296 6.888 32 2HB LYS 924 HB2 LYS 924 -5.913 -10.806 6.627 33 1HG LYS 924 HG1 LYS 924 -8.058 -8.756 7.004 34 2HG LYS 924 HG2 LYS 924 -7.338 -9.574 8.389 35 1HD LYS 924 HD1 LYS 924 -5.121 -8.806 7.688 36 2HD LYS 924 HD2 LYS 924 -5.841 -7.992 6.298 37 1HE LYS 924 HE1 LYS 924 -5.382 -6.434 8.131 38 2HE LYS 924 HE2 LYS 924 -7.106 -6.538 7.774 39 1HZ LYS 924 HZ1 LYS 924 -5.843 -8.139 9.927 40 2HZ LYS 924 HZ2 LYS 924 -6.436 -6.575 10.203 41 3HZ LYS 924 HZ3 LYS 924 -7.488 -7.805 9.696 42 H VAL 925 H VAL 925 -5.359 -11.427 3.742 43 HA VAL 925 HA VAL 925 -3.456 -9.456 3.481 44 HB VAL 925 HB VAL 925 -2.632 -10.761 1.490 45 1HG1 VAL 925 1HG1 VAL 925 -1.854 -11.225 3.749 46 2HG1 VAL 925 2HG1 VAL 925 -3.227 -12.299 4.019 47 3HG1 VAL 925 3HG1 VAL 925 -1.999 -12.721 2.826 48 1HG2 VAL 925 1HG2 VAL 925 -3.667 -12.927 1.030 49 2HG2 VAL 925 2HG2 VAL 925 -4.964 -12.556 2.166 50 3HG2 VAL 925 3HG2 VAL 925 -4.782 -11.603 0.693 51 H TYR 926 H TYR 926 -6.121 -10.259 1.104 52 HA TYR 926 HA TYR 926 -5.049 -8.189 -0.641 53 1HB TYR 926 HB1 TYR 926 -6.049 -9.941 -1.821 54 2HB TYR 926 HB2 TYR 926 -7.389 -10.076 -0.696 55 HD1 TYR 926 HD1 TYR 926 -6.147 -8.477 -3.710 56 HD2 TYR 926 HD2 TYR 926 -9.298 -8.502 -0.845 57 HE1 TYR 926 HE1 TYR 926 -7.578 -7.235 -5.274 58 HE2 TYR 926 HE2 TYR 926 -10.734 -7.255 -2.403 59 HH TYR 926 HH TYR 926 -10.556 -5.811 -4.336 60 H GLU 927 H GLU 927 -7.510 -8.620 1.727 61 HA GLU 927 HA GLU 927 -9.216 -6.477 1.160 62 1HB GLU 927 HB1 GLU 927 -9.295 -8.570 2.828 63 2HB GLU 927 HB2 GLU 927 -8.799 -7.334 3.974 64 1HG GLU 927 HG1 GLU 927 -10.749 -5.978 3.247 65 2HG GLU 927 HG2 GLU 927 -11.276 -7.357 2.284 66 H ASN 928 H ASN 928 -6.503 -6.717 3.452 67 HA ASN 928 HA ASN 928 -6.841 -4.063 4.411 68 1HB ASN 928 HB1 ASN 928 -5.654 -6.010 5.575 69 2HB ASN 928 HB2 ASN 928 -4.273 -5.631 4.557 70 1HD2 ASN 928 2HD2 ASN 928 -4.643 -2.746 4.637 71 2HD2 ASN 928 1HD2 ASN 928 -4.217 -2.247 6.238 72 H VAL 929 H VAL 929 -4.715 -5.498 1.920 73 HA VAL 929 HA VAL 929 -3.345 -3.090 1.415 74 HB VAL 929 HB VAL 929 -3.842 -5.084 -0.772 75 1HG1 VAL 929 1HG1 VAL 929 -1.499 -3.341 -0.013 76 2HG1 VAL 929 2HG1 VAL 929 -1.587 -4.401 -1.419 77 3HG1 VAL 929 3HG1 VAL 929 -2.660 -3.007 -1.297 78 1HG2 VAL 929 1HG2 VAL 929 -1.958 -6.376 0.055 79 2HG2 VAL 929 2HG2 VAL 929 -1.836 -5.323 1.464 80 3HG2 VAL 929 3HG2 VAL 929 -3.256 -6.345 1.245 81 H THR 930 H THR 930 -6.431 -4.298 0.241 82 HA THR 930 HA THR 930 -6.983 -2.193 -1.558 83 HB THR 930 HB THR 930 -8.960 -3.568 0.289 84 HG1 THR 930 HG1 THR 930 -7.746 -5.051 -1.036 85 1HG2 THR 930 1HG2 THR 930 -9.863 -1.567 -0.783 86 2HG2 THR 930 2HG2 THR 930 -9.342 -2.164 -2.360 87 3HG2 THR 930 3HG2 THR 930 -10.597 -3.021 -1.462 88 H GLY 931 H GLY 931 -7.358 -2.570 1.903 89 1HA GLY 931 HA1 GLY 931 -8.318 -0.064 2.634 90 2HA GLY 931 HA2 GLY 931 -7.291 -1.072 3.638 91 H LEU 932 H LEU 932 -5.020 -0.944 1.676 92 HA LEU 932 HA LEU 932 -3.780 1.437 2.553 93 1HB LEU 932 HB1 LEU 932 -3.120 -0.556 0.417 94 2HB LEU 932 HB2 LEU 932 -2.233 0.951 0.495 95 HG LEU 932 HG LEU 932 -1.627 0.348 2.882 96 1HD1 LEU 932 1HD1 LEU 932 -3.383 -1.295 3.262 97 2HD1 LEU 932 2HD1 LEU 932 -2.664 -2.345 2.039 98 3HD1 LEU 932 3HD1 LEU 932 -1.778 -1.978 3.520 99 1HD2 LEU 932 1HD2 LEU 932 -0.049 0.139 1.064 100 2HD2 LEU 932 2HD2 LEU 932 0.124 -1.220 2.173 101 3HD2 LEU 932 3HD2 LEU 932 -0.712 -1.440 0.636 102 H VAL 933 H VAL 933 -5.404 0.568 -0.461 103 HA VAL 933 HA VAL 933 -5.056 3.122 -1.665 104 HB VAL 933 HB VAL 933 -7.113 0.984 -2.264 105 1HG1 VAL 933 1HG1 VAL 933 -6.247 3.367 -3.899 106 2HG1 VAL 933 2HG1 VAL 933 -7.317 2.081 -4.457 107 3HG1 VAL 933 3HG1 VAL 933 -7.821 3.139 -3.138 108 1HG2 VAL 933 1HG2 VAL 933 -4.433 1.567 -3.531 109 2HG2 VAL 933 2HG2 VAL 933 -4.839 0.170 -2.531 110 3HG2 VAL 933 3HG2 VAL 933 -5.602 0.376 -4.107 111 H LYS 934 H LYS 934 -7.561 1.664 0.335 112 HA LYS 934 HA LYS 934 -9.370 3.842 0.298 113 1HB LYS 934 HB1 LYS 934 -8.929 1.932 2.608 114 2HB LYS 934 HB2 LYS 934 -10.381 2.849 2.253 115 1HG LYS 934 HG1 LYS 934 -9.288 0.593 0.580 116 2HG LYS 934 HG2 LYS 934 -10.614 0.465 1.731 117 1HD LYS 934 HD1 LYS 934 -11.744 0.699 -0.266 118 2HD LYS 934 HD2 LYS 934 -11.677 2.370 0.296 119 1HE LYS 934 HE1 LYS 934 -9.890 2.885 -1.182 120 2HE LYS 934 HE2 LYS 934 -9.638 1.182 -1.573 121 1HZ LYS 934 HZ1 LYS 934 -11.920 2.904 -2.370 122 2HZ LYS 934 HZ2 LYS 934 -10.794 2.133 -3.375 123 3HZ LYS 934 HZ3 LYS 934 -11.937 1.212 -2.528 124 H ALA 935 H ALA 935 -6.332 3.357 1.829 125 HA ALA 935 HA ALA 935 -6.701 5.477 3.747 126 1HB ALA 935 HB1 ALA 935 -5.213 3.600 4.230 127 2HB ALA 935 HB2 ALA 935 -4.177 4.080 2.888 128 3HB ALA 935 HB3 ALA 935 -4.360 5.143 4.283 129 H VAL 936 H VAL 936 -5.533 5.138 0.469 130 HA VAL 936 HA VAL 936 -4.491 7.834 0.529 131 HB VAL 936 HB VAL 936 -3.304 6.105 -0.783 132 1HG1 VAL 936 1HG1 VAL 936 -5.222 4.906 -1.690 133 2HG1 VAL 936 2HG1 VAL 936 -5.656 6.313 -2.660 134 3HG1 VAL 936 3HG1 VAL 936 -4.150 5.452 -2.979 135 1HG2 VAL 936 1HG2 VAL 936 -2.878 7.527 -2.750 136 2HG2 VAL 936 2HG2 VAL 936 -4.296 8.491 -2.338 137 3HG2 VAL 936 3HG2 VAL 936 -2.914 8.444 -1.243 138 H ILE 937 H ILE 937 -7.463 6.260 -0.170 139 HA ILE 937 HA ILE 937 -8.569 8.527 -1.527 140 HB ILE 937 HB ILE 937 -10.739 7.583 -1.250 141 1HG1 ILE 937 1HG1 ILE 937 -9.614 5.540 0.654 142 2HG1 ILE 937 2HG1 ILE 937 -10.474 6.988 1.172 143 1HG2 ILE 937 1HG2 ILE 937 -9.355 6.488 -2.891 144 2HG2 ILE 937 2HG2 ILE 937 -8.750 5.376 -1.663 145 3HG2 ILE 937 3HG2 ILE 937 -10.448 5.326 -2.137 146 1HD1 ILE 937 1HD1 ILE 937 -12.457 6.228 -0.042 147 2HD1 ILE 937 2HD1 ILE 937 -11.585 4.775 -0.533 148 3HD1 ILE 937 3HD1 ILE 937 -11.934 5.059 1.172 149 H GLU 938 H GLU 938 -8.265 7.443 1.810 150 HA GLU 938 HA GLU 938 -9.352 9.597 3.177 151 1HB GLU 938 HB1 GLU 938 -6.741 8.171 3.754 152 2HB GLU 938 HB2 GLU 938 -7.597 9.205 4.886 153 1HG GLU 938 HG1 GLU 938 -8.853 6.765 3.678 154 2HG GLU 938 HG2 GLU 938 -7.901 6.713 5.163 155 H MET 939 H MET 939 -6.206 9.274 1.647 156 HA MET 939 HA MET 939 -5.140 11.783 2.335 157 1HB MET 939 HB1 MET 939 -3.729 10.032 1.418 158 2HB MET 939 HB2 MET 939 -4.638 10.038 -0.086 159 1HG MET 939 HG1 MET 939 -3.853 12.302 -0.554 160 2HG MET 939 HG2 MET 939 -2.940 12.296 0.954 161 1HE MET 939 HE1 MET 939 -0.182 12.083 -1.852 162 2HE MET 939 HE2 MET 939 -1.732 12.907 -2.013 163 3HE MET 939 HE3 MET 939 -0.820 13.031 -0.509 164 H SER 940 H SER 940 -7.180 10.723 -0.316 165 HA SER 940 HA SER 940 -7.204 13.175 -1.727 166 1HB SER 940 HB1 SER 940 -9.324 11.013 -1.717 167 2HB SER 940 HB2 SER 940 -9.066 12.229 -2.965 168 HG SER 940 HG SER 940 -6.877 10.641 -2.330 169 H SER 941 H SER 941 -9.219 11.851 0.877 170 HA SER 941 HA SER 941 -11.208 13.927 0.600 171 1HB SER 941 HB1 SER 941 -11.724 11.610 1.448 172 2HB SER 941 HB2 SER 941 -10.816 12.002 2.909 173 HG SER 941 HG SER 941 -12.370 13.319 3.558 174 H LYS 942 H LYS 942 -8.572 13.105 2.740 175 HA LYS 942 HA LYS 942 -8.605 15.023 4.665 176 1HB LYS 942 HB1 LYS 942 -6.575 13.451 3.254 177 2HB LYS 942 HB2 LYS 942 -5.955 14.924 3.984 178 1HG LYS 942 HG1 LYS 942 -7.568 12.886 5.482 179 2HG LYS 942 HG2 LYS 942 -5.802 12.881 5.400 180 1HD LYS 942 HD1 LYS 942 -5.757 15.135 6.317 181 2HD LYS 942 HD2 LYS 942 -7.521 15.131 6.412 182 1HE LYS 942 HE1 LYS 942 -5.588 13.379 7.934 183 2HE LYS 942 HE2 LYS 942 -6.649 14.622 8.595 184 1HZ LYS 942 HZ1 LYS 942 -7.321 11.914 7.646 185 2HZ LYS 942 HZ2 LYS 942 -7.815 12.724 9.052 186 3HZ LYS 942 HZ3 LYS 942 -8.499 13.139 7.561 187 H ILE 943 H ILE 943 -7.100 15.343 1.463 188 HA ILE 943 HA ILE 943 -6.252 17.993 1.978 189 HB ILE 943 HB ILE 943 -5.049 16.522 0.415 190 1HG1 ILE 943 1HG1 ILE 943 -6.122 19.018 -0.917 191 2HG1 ILE 943 2HG1 ILE 943 -4.784 18.965 0.225 192 1HG2 ILE 943 1HG2 ILE 943 -6.946 15.392 -0.599 193 2HG2 ILE 943 2HG2 ILE 943 -7.427 16.890 -1.395 194 3HG2 ILE 943 3HG2 ILE 943 -5.909 16.108 -1.832 195 1HD1 ILE 943 1HD1 ILE 943 -4.841 17.670 -2.490 196 2HD1 ILE 943 2HD1 ILE 943 -3.988 19.151 -2.057 197 3HD1 ILE 943 3HD1 ILE 943 -3.499 17.611 -1.348 198 H GLN 944 H GLN 944 -9.229 16.663 0.810 199 HA GLN 944 HA GLN 944 -10.170 18.714 -0.813 200 1HB GLN 944 HB1 GLN 944 -11.772 16.985 1.074 201 2HB GLN 944 HB2 GLN 944 -12.470 18.030 -0.153 202 1HG GLN 944 HG1 GLN 944 -10.805 15.568 -0.540 203 2HG GLN 944 HG2 GLN 944 -12.468 15.850 -1.036 204 1HE2 GLN 944 2HE2 GLN 944 -9.178 16.236 -1.784 205 2HE2 GLN 944 1HE2 GLN 944 -9.364 16.938 -3.360 206 HA PRO 945 HA PRO 945 -11.805 21.306 2.672 207 1HB PRO 945 HB1 PRO 945 -12.458 20.359 5.076 208 2HB PRO 945 HB2 PRO 945 -13.402 19.947 3.641 209 1HG PRO 945 HG1 PRO 945 -11.536 18.281 5.207 210 2HG PRO 945 HG2 PRO 945 -12.895 17.790 4.183 211 1HD PRO 945 HD1 PRO 945 -10.092 17.865 3.524 212 2HD PRO 945 HD2 PRO 945 -11.445 17.326 2.512 213 H ALA 946 H ALA 946 -8.957 19.636 3.426 214 HA ALA 946 HA ALA 946 -8.372 21.441 5.677 215 1HB ALA 946 HB1 ALA 946 -6.808 19.760 6.477 216 2HB ALA 946 HB2 ALA 946 -8.427 19.086 6.291 217 3HB ALA 946 HB3 ALA 946 -7.182 18.738 5.091 218 HA PRO 947 HA PRO 947 -5.134 23.319 3.377 219 1HB PRO 947 HB1 PRO 947 -3.637 24.333 5.352 220 2HB PRO 947 HB2 PRO 947 -5.297 24.882 5.090 221 1HG PRO 947 HG1 PRO 947 -4.250 22.906 7.085 222 2HG PRO 947 HG2 PRO 947 -5.398 24.235 7.330 223 1HD PRO 947 HD1 PRO 947 -6.154 21.638 6.971 224 2HD PRO 947 HD2 PRO 947 -7.164 23.023 6.514 225 HA PRO 948 HA PRO 948 -1.212 21.150 2.921 226 1HB PRO 948 HB1 PRO 948 0.207 23.424 4.235 227 2HB PRO 948 HB2 PRO 948 0.578 22.593 2.719 228 1HG PRO 948 HG1 PRO 948 -0.579 24.972 2.671 229 2HG PRO 948 HG2 PRO 948 -1.099 23.699 1.548 230 1HD PRO 948 HD1 PRO 948 -2.428 24.708 4.025 231 2HD PRO 948 HD2 PRO 948 -3.149 24.166 2.495 232 H GLU 949 H GLU 949 -1.843 22.593 6.031 233 HA GLU 949 HA GLU 949 -0.021 21.210 7.608 234 1HB GLU 949 HB1 GLU 949 -2.865 21.906 8.345 235 2HB GLU 949 HB2 GLU 949 -1.536 21.615 9.460 236 1HG GLU 949 HG1 GLU 949 -2.016 23.963 7.668 237 2HG GLU 949 HG2 GLU 949 -1.745 23.930 9.409 238 H GLU 950 H GLU 950 -3.014 20.200 6.117 239 HA GLU 950 HA GLU 950 -2.784 17.560 7.342 240 1HB GLU 950 HB1 GLU 950 -4.990 19.043 6.067 241 2HB GLU 950 HB2 GLU 950 -4.935 17.313 5.741 242 1HG GLU 950 HG1 GLU 950 -6.359 17.877 7.655 243 2HG GLU 950 HG2 GLU 950 -5.025 16.808 8.081 244 H TYR 951 H TYR 951 -1.592 19.105 4.645 245 HA TYR 951 HA TYR 951 -1.679 17.110 2.670 246 1HB TYR 951 HB1 TYR 951 0.487 19.068 3.428 247 2HB TYR 951 HB2 TYR 951 0.723 17.895 2.144 248 HD1 TYR 951 HD1 TYR 951 1.225 20.279 1.141 249 HD2 TYR 951 HD2 TYR 951 -2.658 18.795 2.032 250 HE1 TYR 951 HE1 TYR 951 0.271 21.853 -0.467 251 HE2 TYR 951 HE2 TYR 951 -3.633 20.373 0.414 252 HH TYR 951 HH TYR 951 -3.020 22.569 -0.634 253 H VAL 952 H VAL 952 0.346 17.559 5.508 254 HA VAL 952 HA VAL 952 1.727 15.105 5.016 255 HB VAL 952 HB VAL 952 3.154 16.452 6.141 256 1HG1 VAL 952 1HG1 VAL 952 1.683 18.265 6.678 257 2HG1 VAL 952 2HG1 VAL 952 0.914 17.328 7.959 258 3HG1 VAL 952 3HG1 VAL 952 2.596 17.830 8.120 259 1HG2 VAL 952 1HG2 VAL 952 1.871 14.898 8.393 260 2HG2 VAL 952 2HG2 VAL 952 3.137 14.326 7.305 261 3HG2 VAL 952 3HG2 VAL 952 3.472 15.634 8.441 262 HA PRO 953 HA PRO 953 -1.272 13.303 8.566 263 1HB PRO 953 HB1 PRO 953 -3.496 15.113 7.750 264 2HB PRO 953 HB2 PRO 953 -3.222 14.304 9.302 265 1HG PRO 953 HG1 PRO 953 -2.628 16.860 9.047 266 2HG PRO 953 HG2 PRO 953 -1.514 15.776 9.905 267 1HD PRO 953 HD1 PRO 953 -1.299 16.937 7.168 268 2HD PRO 953 HD2 PRO 953 -0.027 16.603 8.357 269 H MET 954 H MET 954 -2.327 14.557 5.375 270 HA MET 954 HA MET 954 -4.162 12.425 4.973 271 1HB MET 954 HB1 MET 954 -4.354 13.131 2.694 272 2HB MET 954 HB2 MET 954 -4.291 14.558 3.711 273 1HG MET 954 HG1 MET 954 -1.948 14.879 3.099 274 2HG MET 954 HG2 MET 954 -2.030 13.448 2.071 275 1HE MET 954 HE1 MET 954 -1.868 16.357 -0.530 276 2HE MET 954 HE2 MET 954 -1.055 16.303 1.034 277 3HE MET 954 HE3 MET 954 -1.135 14.854 0.029 278 H VAL 955 H VAL 955 -0.864 12.948 3.729 279 HA VAL 955 HA VAL 955 -0.585 10.321 2.835 280 HB VAL 955 HB VAL 955 1.623 12.137 3.840 281 1HG1 VAL 955 1HG1 VAL 955 3.101 10.699 2.526 282 2HG1 VAL 955 2HG1 VAL 955 2.309 9.798 3.820 283 3HG1 VAL 955 3HG1 VAL 955 1.742 9.636 2.157 284 1HG2 VAL 955 1HG2 VAL 955 1.956 12.615 1.462 285 2HG2 VAL 955 2HG2 VAL 955 0.571 11.601 1.059 286 3HG2 VAL 955 3HG2 VAL 955 0.337 13.085 1.985 287 H LYS 956 H LYS 956 -0.458 11.606 6.072 288 HA LYS 956 HA LYS 956 0.786 9.401 7.333 289 1HB LYS 956 HB1 LYS 956 0.305 11.484 8.540 290 2HB LYS 956 HB2 LYS 956 -1.420 11.209 8.347 291 1HG LYS 956 HG1 LYS 956 0.173 9.129 9.747 292 2HG LYS 956 HG2 LYS 956 -0.164 10.640 10.594 293 1HD LYS 956 HD1 LYS 956 -2.561 10.325 10.193 294 2HD LYS 956 HD2 LYS 956 -2.221 8.820 9.341 295 1HE LYS 956 HE1 LYS 956 -2.950 8.387 11.621 296 2HE LYS 956 HE2 LYS 956 -1.283 7.869 11.384 297 1HZ LYS 956 HZ1 LYS 956 -0.474 9.600 12.659 298 2HZ LYS 956 HZ2 LYS 956 -1.872 10.543 12.484 299 3HZ LYS 956 HZ3 LYS 956 -1.889 9.175 13.490 300 H GLU 957 H GLU 957 -2.488 10.036 6.294 301 HA GLU 957 HA GLU 957 -3.776 7.760 7.173 302 1HB GLU 957 HB1 GLU 957 -4.250 9.006 4.458 303 2HB GLU 957 HB2 GLU 957 -5.405 8.111 5.432 304 1HG GLU 957 HG1 GLU 957 -4.195 10.740 6.245 305 2HG GLU 957 HG2 GLU 957 -5.732 10.578 5.403 306 H VAL 958 H VAL 958 -1.958 8.160 4.085 307 HA VAL 958 HA VAL 958 -2.252 5.397 3.400 308 HB VAL 958 HB VAL 958 -0.881 5.754 1.521 309 1HG1 VAL 958 1HG1 VAL 958 -2.989 6.923 1.379 310 2HG1 VAL 958 2HG1 VAL 958 -2.280 8.355 2.126 311 3HG1 VAL 958 3HG1 VAL 958 -1.735 7.829 0.534 312 1HG2 VAL 958 1HG2 VAL 958 0.201 8.241 2.854 313 2HG2 VAL 958 2HG2 VAL 958 1.065 6.722 2.614 314 3HG2 VAL 958 3HG2 VAL 958 0.587 7.694 1.221 315 H GLY 959 H GLY 959 -0.006 7.140 5.396 316 1HA GLY 959 HA1 GLY 959 2.046 5.153 5.404 317 2HA GLY 959 HA2 GLY 959 1.796 6.386 6.635 318 H LEU 960 H LEU 960 -0.648 5.845 7.588 319 HA LEU 960 HA LEU 960 -0.489 3.567 9.180 320 1HB LEU 960 HB1 LEU 960 -2.007 5.491 9.579 321 2HB LEU 960 HB2 LEU 960 -3.007 4.950 8.245 322 HG LEU 960 HG LEU 960 -3.482 2.854 9.483 323 1HD1 LEU 960 1HD1 LEU 960 -2.900 2.700 11.846 324 2HD1 LEU 960 2HD1 LEU 960 -1.454 2.775 10.839 325 3HD1 LEU 960 3HD1 LEU 960 -1.985 4.203 11.726 326 1HD2 LEU 960 1HD2 LEU 960 -4.949 3.875 11.170 327 2HD2 LEU 960 2HD2 LEU 960 -4.118 5.415 10.942 328 3HD2 LEU 960 3HD2 LEU 960 -5.038 4.703 9.616 329 H ALA 961 H ALA 961 -1.464 3.912 5.910 330 HA ALA 961 HA ALA 961 -2.966 1.542 5.579 331 1HB ALA 961 HB1 ALA 961 -2.474 1.752 3.200 332 2HB ALA 961 HB2 ALA 961 -2.951 3.300 3.898 333 3HB ALA 961 HB3 ALA 961 -1.252 2.972 3.558 334 H LEU 962 H LEU 962 0.488 2.143 4.752 335 HA LEU 962 HA LEU 962 1.089 -0.569 4.387 336 1HB LEU 962 HB1 LEU 962 2.620 0.894 3.471 337 2HB LEU 962 HB2 LEU 962 2.711 1.878 4.922 338 HG LEU 962 HG LEU 962 3.999 0.070 6.037 339 1HD1 LEU 962 1HD1 LEU 962 3.164 -1.831 4.768 340 2HD1 LEU 962 2HD1 LEU 962 3.947 -1.217 3.311 341 3HD1 LEU 962 3HD1 LEU 962 4.923 -1.742 4.683 342 1HD2 LEU 962 1HD2 LEU 962 5.139 1.058 3.425 343 2HD2 LEU 962 2HD2 LEU 962 5.160 1.916 4.965 344 3HD2 LEU 962 3HD2 LEU 962 6.076 0.421 4.778 345 H ARG 963 H ARG 963 1.349 1.464 7.329 346 HA ARG 963 HA ARG 963 2.293 -0.355 9.127 347 1HB ARG 963 HB1 ARG 963 1.618 2.009 9.585 348 2HB ARG 963 HB2 ARG 963 -0.057 1.479 9.629 349 1HG ARG 963 HG1 ARG 963 0.805 1.705 11.869 350 2HG ARG 963 HG2 ARG 963 0.479 0.006 11.520 351 1HD ARG 963 HD1 ARG 963 2.626 0.381 12.708 352 2HD ARG 963 HD2 ARG 963 2.811 -0.424 11.150 353 HE ARG 963 HE ARG 963 3.102 2.419 10.961 354 1HH1 ARG 963 2HH1 ARG 963 4.785 -0.528 11.838 355 2HH1 ARG 963 1HH1 ARG 963 6.353 0.088 11.410 356 1HH2 ARG 963 2HH2 ARG 963 5.150 3.242 10.395 357 2HH2 ARG 963 1HH2 ARG 963 6.567 2.245 10.595 358 H THR 964 H THR 964 -1.216 0.107 8.622 359 HA THR 964 HA THR 964 -2.041 -2.219 9.893 360 HB THR 964 HB THR 964 -4.097 -2.116 8.405 361 HG1 THR 964 HG1 THR 964 -2.856 0.288 7.494 362 1HG2 THR 964 1HG2 THR 964 -3.269 0.388 9.867 363 2HG2 THR 964 2HG2 THR 964 -4.922 -0.058 9.444 364 3HG2 THR 964 3HG2 THR 964 -4.007 -1.042 10.587 365 H LEU 965 H LEU 965 -1.000 -1.752 6.572 366 HA LEU 965 HA LEU 965 -1.558 -4.271 5.525 367 1HB LEU 965 HB1 LEU 965 -0.823 -2.579 4.038 368 2HB LEU 965 HB2 LEU 965 0.648 -2.312 4.956 369 HG LEU 965 HG LEU 965 1.426 -4.577 4.287 370 1HD1 LEU 965 1HD1 LEU 965 -0.752 -5.582 3.866 371 2HD1 LEU 965 2HD1 LEU 965 -0.979 -4.518 2.478 372 3HD1 LEU 965 3HD1 LEU 965 0.307 -5.725 2.462 373 1HD2 LEU 965 1HD2 LEU 965 0.762 -2.685 2.039 374 2HD2 LEU 965 2HD2 LEU 965 2.188 -2.624 3.075 375 3HD2 LEU 965 3HD2 LEU 965 1.957 -3.979 1.970 376 H LEU 966 H LEU 966 1.044 -3.196 7.606 377 HA LEU 966 HA LEU 966 2.649 -5.513 7.179 378 1HB LEU 966 HB1 LEU 966 3.387 -3.219 8.086 379 2HB LEU 966 HB2 LEU 966 2.834 -3.805 9.643 380 HG LEU 966 HG LEU 966 4.732 -5.538 8.124 381 1HD1 LEU 966 1HD1 LEU 966 6.647 -4.276 8.965 382 2HD1 LEU 966 2HD1 LEU 966 5.677 -3.276 7.884 383 3HD1 LEU 966 3HD1 LEU 966 5.571 -3.048 9.629 384 1HD2 LEU 966 1HD2 LEU 966 5.538 -6.027 10.371 385 2HD2 LEU 966 2HD2 LEU 966 4.486 -4.782 11.044 386 3HD2 LEU 966 3HD2 LEU 966 3.787 -6.218 10.298 387 H ALA 967 H ALA 967 0.002 -4.821 9.368 388 HA ALA 967 HA ALA 967 0.254 -7.180 10.918 389 1HB ALA 967 HB1 ALA 967 -1.385 -5.442 11.461 390 2HB ALA 967 HB2 ALA 967 -2.271 -5.810 9.981 391 3HB ALA 967 HB3 ALA 967 -2.167 -7.011 11.268 392 H THR 968 H THR 968 -1.113 -6.500 7.774 393 HA THR 968 HA THR 968 -2.037 -9.118 7.197 394 HB THR 968 HB THR 968 -1.506 -6.660 5.570 395 HG1 THR 968 HG1 THR 968 -3.934 -7.908 5.410 396 1HG2 THR 968 1HG2 THR 968 -2.370 -9.327 4.461 397 2HG2 THR 968 2HG2 THR 968 -2.401 -7.795 3.590 398 3HG2 THR 968 3HG2 THR 968 -0.861 -8.486 4.103 399 H VAL 969 H VAL 969 0.982 -7.405 6.364 400 HA VAL 969 HA VAL 969 2.079 -9.495 4.880 401 HB VAL 969 HB VAL 969 4.263 -8.505 5.165 402 1HG1 VAL 969 1HG1 VAL 969 3.803 -6.365 4.150 403 2HG1 VAL 969 2HG1 VAL 969 2.719 -7.614 3.527 404 3HG1 VAL 969 3HG1 VAL 969 2.134 -6.448 4.720 405 1HG2 VAL 969 1HG2 VAL 969 4.600 -6.488 6.478 406 2HG2 VAL 969 2HG2 VAL 969 2.989 -6.699 7.164 407 3HG2 VAL 969 3HG2 VAL 969 4.240 -7.904 7.468 408 H ASP 970 H ASP 970 1.876 -9.101 8.339 409 HA ASP 970 HA ASP 970 3.677 -11.261 8.883 410 1HB ASP 970 HB1 ASP 970 3.009 -9.517 10.584 411 2HB ASP 970 HB2 ASP 970 1.423 -10.278 10.642 412 H GLU 971 H GLU 971 0.361 -11.036 7.985 413 HA GLU 971 HA GLU 971 -0.229 -13.821 8.429 414 1HB GLU 971 HB1 GLU 971 -1.500 -11.928 6.435 415 2HB GLU 971 HB2 GLU 971 -2.168 -13.454 6.998 416 1HG GLU 971 HG1 GLU 971 -1.621 -11.091 8.771 417 2HG GLU 971 HG2 GLU 971 -3.188 -11.435 8.021 418 H SER 972 H SER 972 0.683 -11.882 5.596 419 HA SER 972 HA SER 972 0.937 -14.028 3.815 420 1HB SER 972 HB1 SER 972 1.998 -12.368 2.373 421 2HB SER 972 HB2 SER 972 0.644 -11.641 3.206 422 HG SER 972 HG SER 972 3.043 -10.729 3.125 423 H LEU 973 H LEU 973 2.977 -12.775 6.308 424 HA LEU 973 HA LEU 973 5.506 -13.539 5.409 425 1HB LEU 973 HB1 LEU 973 4.581 -12.186 7.545 426 2HB LEU 973 HB2 LEU 973 5.001 -13.697 8.322 427 HG LEU 973 HG LEU 973 6.963 -12.182 6.612 428 1HD1 LEU 973 1HD1 LEU 973 6.210 -10.693 8.386 429 2HD1 LEU 973 2HD1 LEU 973 6.522 -11.946 9.587 430 3HD1 LEU 973 3HD1 LEU 973 7.861 -11.240 8.682 431 1HD2 LEU 973 1HD2 LEU 973 7.286 -14.250 8.785 432 2HD2 LEU 973 2HD2 LEU 973 7.496 -14.516 7.054 433 3HD2 LEU 973 3HD2 LEU 973 8.601 -13.450 7.923 434 HA PRO 974 HA PRO 974 4.968 -17.875 7.620 435 1HB PRO 974 HB1 PRO 974 1.998 -18.023 7.483 436 2HB PRO 974 HB2 PRO 974 3.104 -18.691 8.691 437 1HG PRO 974 HG1 PRO 974 1.642 -16.536 9.230 438 2HG PRO 974 HG2 PRO 974 3.315 -16.675 9.806 439 1HD PRO 974 HD1 PRO 974 2.220 -15.086 7.526 440 2HD PRO 974 HD2 PRO 974 3.501 -14.670 8.680 441 H VAL 975 H VAL 975 2.841 -16.362 5.277 442 HA VAL 975 HA VAL 975 2.877 -18.715 3.569 443 HB VAL 975 HB VAL 975 2.146 -16.026 2.469 444 1HG1 VAL 975 1HG1 VAL 975 1.102 -18.841 2.145 445 2HG1 VAL 975 2HG1 VAL 975 0.522 -17.422 1.272 446 3HG1 VAL 975 3HG1 VAL 975 2.174 -17.991 1.034 447 1HG2 VAL 975 1HG2 VAL 975 -0.117 -16.296 3.358 448 2HG2 VAL 975 2HG2 VAL 975 0.400 -17.710 4.279 449 3HG2 VAL 975 3HG2 VAL 975 1.053 -16.117 4.665 450 H LEU 976 H LEU 976 5.018 -16.005 4.036 451 HA LEU 976 HA LEU 976 6.413 -15.994 1.639 452 1HB LEU 976 HB1 LEU 976 7.417 -15.628 4.450 453 2HB LEU 976 HB2 LEU 976 8.538 -15.706 3.109 454 HG LEU 976 HG LEU 976 7.680 -13.728 2.140 455 1HD1 LEU 976 1HD1 LEU 976 5.319 -13.990 2.634 456 2HD1 LEU 976 2HD1 LEU 976 5.637 -13.661 4.337 457 3HD1 LEU 976 3HD1 LEU 976 5.913 -12.406 3.129 458 1HD2 LEU 976 1HD2 LEU 976 9.336 -13.481 3.888 459 2HD2 LEU 976 2HD2 LEU 976 8.211 -12.121 3.903 460 3HD2 LEU 976 3HD2 LEU 976 8.065 -13.403 5.107 461 HA PRO 977 HA PRO 977 9.044 -19.882 3.160 462 1HB PRO 977 HB1 PRO 977 7.021 -20.948 5.076 463 2HB PRO 977 HB2 PRO 977 8.786 -21.059 5.123 464 1HG PRO 977 HG1 PRO 977 7.513 -19.366 6.713 465 2HG PRO 977 HG2 PRO 977 9.031 -18.894 5.923 466 1HD PRO 977 HD1 PRO 977 6.221 -18.142 5.242 467 2HD PRO 977 HD2 PRO 977 7.697 -17.161 5.183 468 H ALA 978 H ALA 978 5.482 -19.966 3.277 469 HA ALA 978 HA ALA 978 5.108 -22.392 1.946 470 1HB ALA 978 HB1 ALA 978 3.348 -19.951 1.756 471 2HB ALA 978 HB2 ALA 978 2.882 -21.615 1.406 472 3HB ALA 978 HB3 ALA 978 3.302 -21.146 3.052 473 H SER 979 H SER 979 5.334 -19.103 0.565 474 HA SER 979 HA SER 979 6.726 -19.865 -1.737 475 1HB SER 979 HB1 SER 979 4.632 -21.085 -2.275 476 2HB SER 979 HB2 SER 979 3.744 -19.562 -2.210 477 HG SER 979 HG SER 979 5.850 -20.238 -4.019 478 H THR 980 H THR 980 4.609 -17.673 -0.104 479 HA THR 980 HA THR 980 4.481 -15.448 -1.704 480 HB THR 980 HB THR 980 4.757 -15.547 1.297 481 HG1 THR 980 HG1 THR 980 2.297 -15.080 0.390 482 1HG2 THR 980 1HG2 THR 980 3.578 -13.403 1.307 483 2HG2 THR 980 2HG2 THR 980 5.123 -13.271 0.467 484 3HG2 THR 980 3HG2 THR 980 3.622 -13.361 -0.454 485 H HIS 981 H HIS 981 7.335 -16.618 -0.135 486 HA HIS 981 HA HIS 981 8.773 -14.310 0.364 487 1HB HIS 981 HB1 HIS 981 9.454 -16.700 0.868 488 2HB HIS 981 HB2 HIS 981 9.999 -16.815 -0.801 489 HD1 HIS 981 HD1 HIS 981 12.397 -16.269 -1.141 490 HD2 HIS 981 HD2 HIS 981 10.845 -14.444 2.263 491 HE1 HIS 981 HE1 HIS 981 14.341 -15.134 -0.029 492 HE2 HIS 981 HE2 HIS 981 13.335 -13.845 1.887 493 H ARG 982 H ARG 982 7.816 -15.572 -2.655 494 HA ARG 982 HA ARG 982 9.809 -14.181 -4.232 495 1HB ARG 982 HB1 ARG 982 7.182 -15.416 -5.068 496 2HB ARG 982 HB2 ARG 982 8.392 -14.776 -6.170 497 1HG ARG 982 HG1 ARG 982 10.003 -16.438 -5.302 498 2HG ARG 982 HG2 ARG 982 8.710 -17.127 -4.318 499 1HD ARG 982 HD1 ARG 982 7.412 -17.551 -6.364 500 2HD ARG 982 HD2 ARG 982 8.744 -16.914 -7.323 501 HE ARG 982 HE ARG 982 9.643 -19.015 -5.649 502 1HH1 ARG 982 2HH1 ARG 982 7.808 -18.401 -8.563 503 2HH1 ARG 982 1HH1 ARG 982 8.161 -19.949 -9.266 504 1HH2 ARG 982 2HH2 ARG 982 10.076 -21.074 -6.548 505 2HH2 ARG 982 1HH2 ARG 982 9.460 -21.467 -8.126 506 H GLU 983 H GLU 983 6.297 -13.704 -3.671 507 HA GLU 983 HA GLU 983 6.083 -11.214 -4.972 508 1HB GLU 983 HB1 GLU 983 4.007 -12.161 -4.457 509 2HB GLU 983 HB2 GLU 983 4.504 -12.558 -2.824 510 1HG GLU 983 HG1 GLU 983 4.661 -9.751 -3.081 511 2HG GLU 983 HG2 GLU 983 3.082 -10.277 -3.695 512 H ILE 984 H ILE 984 6.385 -12.034 -1.602 513 HA ILE 984 HA ILE 984 5.862 -9.431 -0.746 514 HB ILE 984 HB ILE 984 5.512 -11.498 0.583 515 1HG1 ILE 984 1HG1 ILE 984 6.401 -10.518 2.776 516 2HG1 ILE 984 2HG1 ILE 984 7.163 -9.263 1.806 517 1HG2 ILE 984 1HG2 ILE 984 7.607 -12.614 0.063 518 2HG2 ILE 984 2HG2 ILE 984 8.525 -11.359 0.894 519 3HG2 ILE 984 3HG2 ILE 984 7.459 -12.424 1.808 520 1HD1 ILE 984 1HD1 ILE 984 5.059 -8.503 2.739 521 2HD1 ILE 984 2HD1 ILE 984 4.980 -8.571 0.979 522 3HD1 ILE 984 3HD1 ILE 984 4.214 -9.833 1.944 523 H GLU 985 H GLU 985 8.909 -11.161 -1.285 524 HA GLU 985 HA GLU 985 10.594 -9.052 -0.529 525 1HB GLU 985 HB1 GLU 985 10.933 -11.158 -2.649 526 2HB GLU 985 HB2 GLU 985 12.174 -9.957 -2.314 527 1HG GLU 985 HG1 GLU 985 11.903 -10.783 0.145 528 2HG GLU 985 HG2 GLU 985 11.212 -12.212 -0.626 529 H MET 986 H MET 986 8.899 -9.581 -3.640 530 HA MET 986 HA MET 986 10.208 -7.346 -4.822 531 1HB MET 986 HB1 MET 986 8.951 -7.718 -6.798 532 2HB MET 986 HB2 MET 986 9.398 -9.287 -6.158 533 1HG MET 986 HG1 MET 986 7.168 -9.611 -5.292 534 2HG MET 986 HG2 MET 986 6.700 -7.992 -5.811 535 1HE MET 986 HE1 MET 986 8.183 -7.834 -8.663 536 2HE MET 986 HE2 MET 986 6.873 -8.350 -9.724 537 3HE MET 986 HE3 MET 986 6.537 -7.264 -8.376 538 H ALA 987 H ALA 987 6.889 -7.804 -3.655 539 HA ALA 987 HA ALA 987 6.167 -5.149 -4.440 540 1HB ALA 987 HB1 ALA 987 4.583 -7.000 -4.583 541 2HB ALA 987 HB2 ALA 987 4.620 -7.164 -2.828 542 3HB ALA 987 HB3 ALA 987 3.978 -5.694 -3.563 543 H GLN 988 H GLN 988 6.701 -6.801 -1.320 544 HA GLN 988 HA GLN 988 5.954 -4.600 0.268 545 1HB GLN 988 HB1 GLN 988 6.085 -6.784 1.269 546 2HB GLN 988 HB2 GLN 988 7.792 -6.918 0.879 547 1HG GLN 988 HG1 GLN 988 7.948 -6.383 3.074 548 2HG GLN 988 HG2 GLN 988 7.955 -4.763 2.382 549 1HE2 GLN 988 2HE2 GLN 988 5.068 -4.939 1.749 550 2HE2 GLN 988 1HE2 GLN 988 4.260 -4.711 3.257 551 H LYS 989 H LYS 989 9.167 -5.604 -0.953 552 HA LYS 989 HA LYS 989 10.549 -3.474 0.329 553 1HB LYS 989 HB1 LYS 989 11.614 -5.554 -0.596 554 2HB LYS 989 HB2 LYS 989 11.354 -4.907 -2.209 555 1HG LYS 989 HG1 LYS 989 12.784 -3.013 -1.701 556 2HG LYS 989 HG2 LYS 989 13.016 -3.615 -0.057 557 1HD LYS 989 HD1 LYS 989 13.992 -5.688 -1.018 558 2HD LYS 989 HD2 LYS 989 13.875 -4.953 -2.618 559 1HE LYS 989 HE1 LYS 989 15.339 -3.138 -1.900 560 2HE LYS 989 HE2 LYS 989 15.444 -3.851 -0.290 561 1HZ LYS 989 HZ1 LYS 989 17.376 -4.467 -1.501 562 2HZ LYS 989 HZ2 LYS 989 16.409 -5.854 -1.369 563 3HZ LYS 989 HZ3 LYS 989 16.463 -4.997 -2.831 564 H LEU 990 H LEU 990 8.862 -3.839 -2.681 565 HA LEU 990 HA LEU 990 9.615 -1.425 -3.912 566 1HB LEU 990 HB1 LEU 990 8.607 -2.676 -5.474 567 2HB LEU 990 HB2 LEU 990 7.660 -3.556 -4.299 568 HG LEU 990 HG LEU 990 6.020 -1.679 -4.285 569 1HD1 LEU 990 1HD1 LEU 990 7.658 -0.686 -6.622 570 2HD1 LEU 990 2HD1 LEU 990 6.089 -0.055 -6.123 571 3HD1 LEU 990 3HD1 LEU 990 7.487 0.120 -5.063 572 1HD2 LEU 990 1HD2 LEU 990 5.669 -3.683 -5.622 573 2HD2 LEU 990 2HD2 LEU 990 5.024 -2.255 -6.432 574 3HD2 LEU 990 3HD2 LEU 990 6.554 -2.954 -6.962 575 H LEU 991 H LEU 991 6.826 -2.232 -1.823 576 HA LEU 991 HA LEU 991 5.822 0.440 -2.021 577 1HB LEU 991 HB1 LEU 991 4.177 -0.295 -0.292 578 2HB LEU 991 HB2 LEU 991 4.166 -1.197 -1.788 579 HG LEU 991 HG LEU 991 5.566 -2.948 -0.544 580 1HD1 LEU 991 1HD1 LEU 991 5.238 -2.983 1.881 581 2HD1 LEU 991 2HD1 LEU 991 6.170 -1.571 1.378 582 3HD1 LEU 991 3HD1 LEU 991 4.467 -1.399 1.799 583 1HD2 LEU 991 1HD2 LEU 991 2.710 -2.387 0.222 584 2HD2 LEU 991 2HD2 LEU 991 3.266 -3.278 -1.195 585 3HD2 LEU 991 3HD2 LEU 991 3.538 -3.932 0.420 586 H ASN 992 H ASN 992 7.887 -1.262 0.188 587 HA ASN 992 HA ASN 992 7.834 0.522 2.333 588 1HB ASN 992 HB1 ASN 992 9.098 -1.621 2.345 589 2HB ASN 992 HB2 ASN 992 10.265 -0.918 1.229 590 1HD2 ASN 992 2HD2 ASN 992 11.993 -1.096 2.612 591 2HD2 ASN 992 1HD2 ASN 992 12.144 -0.137 4.045 592 H SER 993 H SER 993 9.555 0.616 -0.723 593 HA SER 993 HA SER 993 11.025 2.991 -0.087 594 1HB SER 993 HB1 SER 993 10.634 1.682 -2.783 595 2HB SER 993 HB2 SER 993 11.924 2.789 -2.315 596 HG SER 993 HG SER 993 11.477 0.136 -1.405 597 H ASP 994 H ASP 994 7.937 2.309 -1.535 598 HA ASP 994 HA ASP 994 7.902 4.916 -2.858 599 1HB ASP 994 HB1 ASP 994 6.339 2.406 -3.227 600 2HB ASP 994 HB2 ASP 994 5.624 3.935 -3.730 601 H LEU 995 H LEU 995 5.873 3.064 -0.543 602 HA LEU 995 HA LEU 995 4.144 5.107 0.230 603 1HB LEU 995 HB1 LEU 995 4.574 2.589 1.133 604 2HB LEU 995 HB2 LEU 995 5.394 3.470 2.398 605 HG LEU 995 HG LEU 995 3.266 3.066 3.239 606 1HD1 LEU 995 1HD1 LEU 995 3.909 5.363 3.598 607 2HD1 LEU 995 2HD1 LEU 995 3.169 5.834 2.069 608 3HD1 LEU 995 3HD1 LEU 995 2.161 5.240 3.388 609 1HD2 LEU 995 1HD2 LEU 995 2.212 2.284 1.216 610 2HD2 LEU 995 2HD2 LEU 995 1.190 3.485 2.007 611 3HD2 LEU 995 3HD2 LEU 995 2.136 3.929 0.587 612 H ALA 996 H ALA 996 7.400 4.348 1.279 613 HA ALA 996 HA ALA 996 7.888 6.381 3.087 614 1HB ALA 996 HB1 ALA 996 9.461 4.554 2.669 615 2HB ALA 996 HB2 ALA 996 9.891 5.287 1.124 616 3HB ALA 996 HB3 ALA 996 10.255 6.127 2.632 617 H GLU 997 H GLU 997 8.394 6.578 -0.458 618 HA GLU 997 HA GLU 997 9.278 9.221 -0.434 619 1HB GLU 997 HB1 GLU 997 7.736 7.750 -2.570 620 2HB GLU 997 HB2 GLU 997 8.499 9.326 -2.793 621 1HG GLU 997 HG1 GLU 997 9.961 6.863 -1.922 622 2HG GLU 997 HG2 GLU 997 9.830 7.385 -3.605 623 H LEU 998 H LEU 998 5.999 7.953 -0.327 624 HA LEU 998 HA LEU 998 4.810 10.491 -0.860 625 1HB LEU 998 HB1 LEU 998 3.864 7.840 -0.072 626 2HB LEU 998 HB2 LEU 998 2.927 9.159 0.609 627 HG LEU 998 HG LEU 998 2.031 8.308 -1.548 628 1HD1 LEU 998 1HD1 LEU 998 3.031 11.153 -1.597 629 2HD1 LEU 998 2HD1 LEU 998 1.704 10.505 -2.561 630 3HD1 LEU 998 3HD1 LEU 998 1.559 10.589 -0.804 631 1HD2 LEU 998 1HD2 LEU 998 4.197 7.768 -2.567 632 2HD2 LEU 998 2HD2 LEU 998 3.219 8.813 -3.599 633 3HD2 LEU 998 3HD2 LEU 998 4.562 9.490 -2.675 634 H ILE 999 H ILE 999 5.933 8.829 1.995 635 HA ILE 999 HA ILE 999 4.683 10.732 3.770 636 HB ILE 999 HB ILE 999 5.815 9.746 5.612 637 1HG1 ILE 999 1HG1 ILE 999 7.538 8.224 3.645 638 2HG1 ILE 999 2HG1 ILE 999 8.072 9.591 4.616 639 1HG2 ILE 999 1HG2 ILE 999 5.217 7.374 5.355 640 2HG2 ILE 999 2HG2 ILE 999 3.972 8.465 4.743 641 3HG2 ILE 999 3HG2 ILE 999 5.042 7.627 3.618 642 1HD1 ILE 999 1HD1 ILE 999 7.697 8.319 6.649 643 2HD1 ILE 999 2HD1 ILE 999 7.114 6.952 5.697 644 3HD1 ILE 999 3HD1 ILE 999 8.795 7.467 5.563 645 H ASN1000 H ASN1000 7.487 10.755 1.844 646 HA ASN1000 HA ASN1000 8.381 13.185 3.231 647 1HB ASN1000 HB1 ASN1000 10.481 12.944 2.187 648 2HB ASN1000 HB2 ASN1000 10.011 11.310 2.619 649 1HD2 ASN1000 2HD2 ASN1000 11.064 10.149 1.234 650 2HD2 ASN1000 1HD2 ASN1000 10.936 10.245 -0.489 651 H LYS1001 H LYS1001 6.350 12.237 0.846 652 HA LYS1001 HA LYS1001 6.638 14.676 -0.717 653 1HB LYS1001 HB1 LYS1001 4.615 12.437 -0.839 654 2HB LYS1001 HB2 LYS1001 4.482 13.900 -1.805 655 1HG LYS1001 HG1 LYS1001 6.697 11.866 -1.905 656 2HG LYS1001 HG2 LYS1001 5.460 12.155 -3.128 657 1HD LYS1001 HD1 LYS1001 6.357 14.349 -3.582 658 2HD LYS1001 HD2 LYS1001 7.510 14.191 -2.254 659 1HE LYS1001 HE1 LYS1001 7.425 12.456 -4.719 660 2HE LYS1001 HE2 LYS1001 8.549 13.788 -4.450 661 1HZ LYS1001 HZ1 LYS1001 9.637 12.624 -2.769 662 2HZ LYS1001 HZ2 LYS1001 8.373 11.524 -2.559 663 3HZ LYS1001 HZ3 LYS1001 9.345 11.440 -3.944 664 H MET1002 H MET1002 4.736 13.329 1.879 665 HA MET1002 HA MET1002 3.003 15.581 2.181 666 1HB MET1002 HB1 MET1002 2.356 14.603 4.264 667 2HB MET1002 HB2 MET1002 2.595 13.264 3.155 668 1HG MET1002 HG1 MET1002 4.822 12.883 4.131 669 2HG MET1002 HG2 MET1002 4.516 14.188 5.278 670 1HE MET1002 HE1 MET1002 5.415 11.404 6.325 671 2HE MET1002 HE2 MET1002 4.939 12.715 7.404 672 3HE MET1002 HE3 MET1002 4.263 11.100 7.624 673 H LYS1003 H LYS1003 6.063 14.460 3.452 674 HA LYS1003 HA LYS1003 6.646 16.650 5.087 675 1HB LYS1003 HB1 LYS1003 7.912 14.550 5.154 676 2HB LYS1003 HB2 LYS1003 8.512 14.844 3.530 677 1HG LYS1003 HG1 LYS1003 10.189 15.367 5.211 678 2HG LYS1003 HG2 LYS1003 9.714 16.808 4.313 679 1HD LYS1003 HD1 LYS1003 9.899 17.334 6.666 680 2HD LYS1003 HD2 LYS1003 8.213 17.439 6.166 681 1HE LYS1003 HE1 LYS1003 7.780 15.237 7.123 682 2HE LYS1003 HE2 LYS1003 9.476 15.096 7.587 683 1HZ LYS1003 HZ1 LYS1003 8.022 15.798 9.431 684 2HZ LYS1003 HZ2 LYS1003 9.226 16.940 9.082 685 3HZ LYS1003 HZ3 LYS1003 7.634 17.207 8.573 686 H LEU1004 H LEU1004 7.637 15.969 1.719 687 HA LEU1004 HA LEU1004 8.795 18.396 1.147 688 1HB LEU1004 HB1 LEU1004 7.440 16.343 -0.540 689 2HB LEU1004 HB2 LEU1004 7.954 17.854 -1.270 690 HG LEU1004 HG LEU1004 9.722 15.834 0.110 691 1HD1 LEU1004 1HD1 LEU1004 8.962 15.171 -2.120 692 2HD1 LEU1004 2HD1 LEU1004 9.565 16.694 -2.774 693 3HD1 LEU1004 3HD1 LEU1004 10.692 15.519 -2.095 694 1HD2 LEU1004 1HD2 LEU1004 11.585 17.265 -0.569 695 2HD2 LEU1004 2HD2 LEU1004 10.441 18.464 -1.173 696 3HD2 LEU1004 3HD2 LEU1004 10.504 18.098 0.550 697 H ALA1005 H ALA1005 5.359 17.541 0.680 698 HA ALA1005 HA ALA1005 4.575 19.985 -0.451 699 1HB ALA1005 HB1 ALA1005 2.307 19.369 0.212 700 2HB ALA1005 HB2 ALA1005 3.166 17.985 -0.465 701 3HB ALA1005 HB3 ALA1005 2.950 18.122 1.280 702 H GLN1006 H GLN1006 4.599 18.911 2.923 703 HA GLN1006 HA GLN1006 3.742 21.449 3.942 704 1HB GLN1006 HB1 GLN1006 3.716 20.408 5.998 705 2HB GLN1006 HB2 GLN1006 3.592 19.010 4.932 706 1HG GLN1006 HG1 GLN1006 5.814 18.399 5.263 707 2HG GLN1006 HG2 GLN1006 6.248 19.973 5.927 708 1HE2 GLN1006 2HE2 GLN1006 3.918 20.137 7.644 709 2HE2 GLN1006 1HE2 GLN1006 4.191 19.019 8.939 710 H GLN1007 H GLN1007 6.598 20.261 2.733 711 HA GLN1007 HA GLN1007 8.414 21.826 4.358 712 1HB GLN1007 HB1 GLN1007 8.740 19.452 3.158 713 2HB GLN1007 HB2 GLN1007 9.242 20.484 1.824 714 1HG GLN1007 HG1 GLN1007 11.210 19.931 2.910 715 2HG GLN1007 HG2 GLN1007 10.853 21.562 3.483 716 1HE2 GLN1007 2HE2 GLN1007 8.626 20.202 5.156 717 2HE2 GLN1007 1HE2 GLN1007 9.490 19.648 6.547 718 H TYR1008 H TYR1008 6.764 22.016 1.327 719 HA TYR1008 HA TYR1008 8.158 24.544 0.719 720 1HB TYR1008 HB1 TYR1008 8.538 22.604 -0.872 721 2HB TYR1008 HB2 TYR1008 6.830 22.700 -1.277 722 HD1 TYR1008 HD1 TYR1008 9.498 25.290 -0.846 723 HD2 TYR1008 HD2 TYR1008 6.575 23.536 -3.399 724 HE1 TYR1008 HE1 TYR1008 10.029 26.950 -2.580 725 HE2 TYR1008 HE2 TYR1008 7.101 25.195 -5.143 726 HH TYR1008 HH TYR1008 9.844 27.283 -4.937 727 H VAL1009 H VAL1009 5.687 23.716 2.262 728 HA VAL1009 HA VAL1009 3.312 24.454 1.205 729 HB VAL1009 HB VAL1009 3.445 23.656 3.453 730 1HG1 VAL1009 1HG1 VAL1009 4.335 24.982 5.303 731 2HG1 VAL1009 2HG1 VAL1009 5.579 24.625 4.105 732 3HG1 VAL1009 3HG1 VAL1009 4.846 26.228 4.165 733 1HG2 VAL1009 1HG2 VAL1009 2.372 26.474 3.405 734 2HG2 VAL1009 2HG2 VAL1009 1.497 25.006 2.970 735 3HG2 VAL1009 3HG2 VAL1009 2.002 25.270 4.640 736 H MET1010 H MET1010 3.292 26.044 -0.308 737 HA MET1010 HA MET1010 3.156 28.743 0.786 738 1HB MET1010 HB1 MET1010 5.423 28.535 -0.212 739 2HB MET1010 HB2 MET1010 4.683 28.106 -1.749 740 1HG MET1010 HG1 MET1010 5.409 30.464 -1.615 741 2HG MET1010 HG2 MET1010 3.690 30.269 -1.954 742 1HE MET1010 HE1 MET1010 5.149 32.979 -0.915 743 2HE MET1010 HE2 MET1010 3.434 32.897 -1.321 744 3HE MET1010 HE3 MET1010 3.943 33.565 0.230 745 H THR1011 H THR1011 1.532 29.927 -0.110 746 HA THR1011 HA THR1011 -0.726 28.618 -0.791 747 HB THR1011 HB THR1011 -1.573 30.816 -1.708 748 HG1 THR1011 HG1 THR1011 -0.007 32.585 -1.238 749 1HG2 THR1011 1HG2 THR1011 -1.439 31.946 0.466 750 2HG2 THR1011 2HG2 THR1011 -1.752 30.222 0.664 751 3HG2 THR1011 3HG2 THR1011 -0.135 30.862 0.953 752 H SER1012 H SER1012 1.435 30.138 -3.220 753 HA SER1012 HA SER1012 -0.154 28.745 -5.270 754 1HB SER1012 HB1 SER1012 1.610 31.168 -5.656 755 2HB SER1012 HB2 SER1012 0.483 30.475 -6.824 756 HG SER1012 HG SER1012 -0.195 31.627 -4.314 757 H LEU1013 H LEU1013 3.021 29.043 -3.913 758 HA LEU1013 HA LEU1013 4.354 27.973 -6.241 759 1HB LEU1013 HB1 LEU1013 5.273 28.765 -3.501 760 2HB LEU1013 HB2 LEU1013 6.321 27.840 -4.556 761 HG LEU1013 HG LEU1013 6.931 30.134 -4.763 762 1HD1 LEU1013 1HD1 LEU1013 6.550 30.553 -7.137 763 2HD1 LEU1013 2HD1 LEU1013 6.947 28.862 -6.830 764 3HD1 LEU1013 3HD1 LEU1013 5.277 29.331 -7.147 765 1HD2 LEU1013 1HD2 LEU1013 4.042 30.721 -5.387 766 2HD2 LEU1013 2HD2 LEU1013 4.886 31.143 -3.897 767 3HD2 LEU1013 3HD2 LEU1013 5.369 31.883 -5.424 768 H GLN1014 H GLN1014 2.847 26.707 -3.431 769 HA GLN1014 HA GLN1014 4.302 24.414 -2.863 770 1HB GLN1014 HB1 GLN1014 2.111 25.499 -1.821 771 2HB GLN1014 HB2 GLN1014 1.314 24.308 -2.831 772 1HG GLN1014 HG1 GLN1014 3.105 23.885 -0.475 773 2HG GLN1014 HG2 GLN1014 1.470 23.295 -0.749 774 1HE2 GLN1014 2HE2 GLN1014 1.198 21.660 -2.424 775 2HE2 GLN1014 1HE2 GLN1014 2.487 20.537 -2.692 776 H GLN1015 H GLN1015 2.187 25.078 -5.536 777 HA GLN1015 HA GLN1015 1.189 22.525 -6.054 778 1HB GLN1015 HB1 GLN1015 0.670 23.321 -8.289 779 2HB GLN1015 HB2 GLN1015 0.254 24.514 -7.073 780 1HG GLN1015 HG1 GLN1015 2.214 25.812 -7.605 781 2HG GLN1015 HG2 GLN1015 2.756 24.581 -8.745 782 1HE2 GLN1015 2HE2 GLN1015 0.070 24.080 -9.744 783 2HE2 GLN1015 1HE2 GLN1015 -0.334 25.430 -10.750 784 H GLU1016 H GLU1016 4.172 24.022 -7.206 785 HA GLU1016 HA GLU1016 5.150 22.068 -8.855 786 1HB GLU1016 HB1 GLU1016 6.422 24.102 -8.371 787 2HB GLU1016 HB2 GLU1016 6.761 23.514 -6.745 788 1HG GLU1016 HG1 GLU1016 8.010 21.651 -7.640 789 2HG GLU1016 HG2 GLU1016 7.607 22.139 -9.283 790 H TYR1017 H TYR1017 5.541 22.066 -5.300 791 HA TYR1017 HA TYR1017 6.590 19.400 -5.299 792 1HB TYR1017 HB1 TYR1017 5.781 21.348 -3.168 793 2HB TYR1017 HB2 TYR1017 6.067 19.663 -2.744 794 HD1 TYR1017 HD1 TYR1017 8.036 19.818 -1.457 795 HD2 TYR1017 HD2 TYR1017 7.891 21.679 -5.285 796 HE1 TYR1017 HE1 TYR1017 10.451 20.240 -1.344 797 HE2 TYR1017 HE2 TYR1017 10.308 22.112 -5.170 798 HH TYR1017 HH TYR1017 12.060 22.352 -3.466 799 H LYS1018 H LYS1018 3.464 20.790 -5.266 800 HA LYS1018 HA LYS1018 1.996 18.628 -4.167 801 1HB LYS1018 HB1 LYS1018 0.966 20.795 -4.376 802 2HB LYS1018 HB2 LYS1018 1.233 20.812 -6.111 803 1HG LYS1018 HG1 LYS1018 -0.328 18.866 -6.287 804 2HG LYS1018 HG2 LYS1018 -0.694 19.090 -4.571 805 1HD LYS1018 HD1 LYS1018 -1.483 21.338 -5.000 806 2HD LYS1018 HD2 LYS1018 -1.013 21.210 -6.696 807 1HE LYS1018 HE1 LYS1018 -2.629 19.351 -6.955 808 2HE LYS1018 HE2 LYS1018 -3.144 19.605 -5.288 809 1HZ LYS1018 HZ1 LYS1018 -3.883 21.813 -5.856 810 2HZ LYS1018 HZ2 LYS1018 -3.295 21.649 -7.439 811 3HZ LYS1018 HZ3 LYS1018 -4.598 20.696 -6.920 812 H LYS1019 H LYS1019 2.850 19.503 -7.511 813 HA LYS1019 HA LYS1019 1.579 17.196 -8.629 814 1HB LYS1019 HB1 LYS1019 2.579 17.874 -10.732 815 2HB LYS1019 HB2 LYS1019 1.900 19.272 -9.910 816 1HG LYS1019 HG1 LYS1019 4.162 19.878 -9.134 817 2HG LYS1019 HG2 LYS1019 4.812 18.514 -10.051 818 1HD LYS1019 HD1 LYS1019 3.849 19.490 -12.102 819 2HD LYS1019 HD2 LYS1019 3.308 20.879 -11.162 820 1HE LYS1019 HE1 LYS1019 5.634 21.390 -10.588 821 2HE LYS1019 HE2 LYS1019 6.169 20.005 -11.542 822 1HZ LYS1019 HZ1 LYS1019 5.105 21.050 -13.492 823 2HZ LYS1019 HZ2 LYS1019 4.772 22.420 -12.548 824 3HZ LYS1019 HZ3 LYS1019 6.376 21.979 -12.856 825 H GLN1020 H GLN1020 4.569 17.780 -7.149 826 HA GLN1020 HA GLN1020 5.915 15.493 -8.333 827 1HB GLN1020 HB1 GLN1020 6.649 17.374 -6.092 828 2HB GLN1020 HB2 GLN1020 7.594 15.934 -6.450 829 1HG GLN1020 HG1 GLN1020 8.007 16.750 -8.704 830 2HG GLN1020 HG2 GLN1020 7.033 18.181 -8.372 831 1HE2 GLN1020 2HE2 GLN1020 7.864 19.805 -7.114 832 2HE2 GLN1020 1HE2 GLN1020 9.539 19.895 -6.682 833 H MET1021 H MET1021 4.135 16.355 -5.468 834 HA MET1021 HA MET1021 4.385 13.853 -4.141 835 1HB MET1021 HB1 MET1021 3.768 15.818 -2.896 836 2HB MET1021 HB2 MET1021 2.376 16.098 -3.931 837 1HG MET1021 HG1 MET1021 1.322 14.079 -3.083 838 2HG MET1021 HG2 MET1021 2.727 13.762 -2.065 839 1HE MET1021 HE1 MET1021 0.074 17.503 -1.537 840 2HE MET1021 HE2 MET1021 1.288 17.332 -2.806 841 3HE MET1021 HE3 MET1021 -0.162 16.330 -2.832 842 H LEU1022 H LEU1022 2.061 15.241 -6.414 843 HA LEU1022 HA LEU1022 0.161 13.162 -6.307 844 1HB LEU1022 HB1 LEU1022 -0.303 15.384 -7.240 845 2HB LEU1022 HB2 LEU1022 0.794 15.060 -8.567 846 HG LEU1022 HG LEU1022 -0.692 13.220 -9.310 847 1HD1 LEU1022 1HD1 LEU1022 -1.717 12.672 -7.179 848 2HD1 LEU1022 2HD1 LEU1022 -2.507 14.248 -7.135 849 3HD1 LEU1022 3HD1 LEU1022 -2.951 13.074 -8.374 850 1HD2 LEU1022 1HD2 LEU1022 -0.881 15.444 -10.287 851 2HD2 LEU1022 2HD2 LEU1022 -2.458 14.661 -10.190 852 3HD2 LEU1022 3HD2 LEU1022 -2.021 15.912 -9.026 853 H THR1023 H THR1023 2.829 13.752 -8.594 854 HA THR1023 HA THR1023 2.442 11.452 -10.156 855 HB THR1023 HB THR1023 5.067 12.860 -9.620 856 HG1 THR1023 HG1 THR1023 3.916 14.471 -10.456 857 1HG2 THR1023 1HG2 THR1023 5.282 10.707 -10.792 858 2HG2 THR1023 2HG2 THR1023 4.120 11.254 -12.000 859 3HG2 THR1023 3HG2 THR1023 5.680 12.061 -11.848 860 H ALA1024 H ALA1024 4.112 11.976 -7.129 861 HA ALA1024 HA ALA1024 5.363 9.386 -7.087 862 1HB ALA1024 HB1 ALA1024 5.968 9.932 -4.790 863 2HB ALA1024 HB2 ALA1024 6.345 11.273 -5.872 864 3HB ALA1024 HB3 ALA1024 4.918 11.347 -4.838 865 H ALA1025 H ALA1025 2.434 10.865 -5.829 866 HA ALA1025 HA ALA1025 1.553 8.772 -4.185 867 1HB ALA1025 HB1 ALA1025 0.558 11.007 -4.137 868 2HB ALA1025 HB2 ALA1025 -0.106 10.748 -5.750 869 3HB ALA1025 HB3 ALA1025 -0.668 9.766 -4.397 870 H HIS1026 H HIS1026 1.185 9.369 -7.642 871 HA HIS1026 HA HIS1026 -0.502 7.190 -8.200 872 1HB HIS1026 HB1 HIS1026 -0.027 9.010 -9.818 873 2HB HIS1026 HB2 HIS1026 1.616 8.401 -9.993 874 HD1 HIS1026 HD1 HIS1026 -1.938 7.632 -10.912 875 HD2 HIS1026 HD2 HIS1026 1.886 6.143 -11.615 876 HE1 HIS1026 HE1 HIS1026 -2.198 5.918 -12.738 877 HE2 HIS1026 HE2 HIS1026 0.095 4.907 -13.022 878 H ALA1027 H ALA1027 2.972 7.460 -7.806 879 HA ALA1027 HA ALA1027 3.568 4.820 -8.693 880 1HB ALA1027 HB1 ALA1027 5.777 5.203 -7.758 881 2HB ALA1027 HB2 ALA1027 5.238 6.602 -8.686 882 3HB ALA1027 HB3 ALA1027 5.187 6.641 -6.924 883 H LEU1028 H LEU1028 3.043 6.257 -5.469 884 HA LEU1028 HA LEU1028 3.504 3.782 -4.131 885 1HB LEU1028 HB1 LEU1028 3.728 5.215 -2.455 886 2HB LEU1028 HB2 LEU1028 2.904 6.495 -3.302 887 HG LEU1028 HG LEU1028 1.388 4.324 -1.857 888 1HD1 LEU1028 1HD1 LEU1028 2.394 6.930 -0.730 889 2HD1 LEU1028 2HD1 LEU1028 1.264 5.832 0.062 890 3HD1 LEU1028 3HD1 LEU1028 2.919 5.313 -0.256 891 1HD2 LEU1028 1HD2 LEU1028 -0.355 6.042 -1.732 892 2HD2 LEU1028 2HD2 LEU1028 0.696 7.177 -2.579 893 3HD2 LEU1028 3HD2 LEU1028 0.109 5.736 -3.406 894 H ALA1029 H ALA1029 0.643 5.360 -5.418 895 HA ALA1029 HA ALA1029 -1.299 3.564 -4.607 896 1HB ALA1029 HB1 ALA1029 -2.488 4.081 -6.687 897 2HB ALA1029 HB2 ALA1029 -1.808 5.534 -5.955 898 3HB ALA1029 HB3 ALA1029 -1.019 4.798 -7.350 899 H VAL1030 H VAL1030 1.042 3.229 -7.269 900 HA VAL1030 HA VAL1030 0.249 0.663 -8.076 901 HB VAL1030 HB VAL1030 2.965 1.960 -8.314 902 1HG1 VAL1030 1HG1 VAL1030 3.345 0.391 -10.159 903 2HG1 VAL1030 2HG1 VAL1030 3.114 -0.448 -8.626 904 3HG1 VAL1030 3HG1 VAL1030 1.804 -0.392 -9.806 905 1HG2 VAL1030 1HG2 VAL1030 2.245 2.533 -10.591 906 2HG2 VAL1030 2HG2 VAL1030 0.648 1.870 -10.244 907 3HG2 VAL1030 3HG2 VAL1030 1.225 3.286 -9.365 908 H ASP1031 H ASP1031 2.363 1.700 -5.444 909 HA ASP1031 HA ASP1031 3.535 -0.895 -5.173 910 1HB ASP1031 HB1 ASP1031 4.681 -0.146 -3.276 911 2HB ASP1031 HB2 ASP1031 4.633 1.226 -4.360 912 H ALA1032 H ALA1032 0.924 0.807 -3.481 913 HA ALA1032 HA ALA1032 0.105 -1.324 -1.844 914 1HB ALA1032 HB1 ALA1032 -0.748 0.968 -1.630 915 2HB ALA1032 HB2 ALA1032 -1.589 0.798 -3.171 916 3HB ALA1032 HB3 ALA1032 -2.059 -0.201 -1.794 917 H LYS1033 H LYS1033 -0.900 -0.382 -5.148 918 HA LYS1033 HA LYS1033 -2.852 -2.341 -5.507 919 1HB LYS1033 HB1 LYS1033 -2.794 -0.418 -6.904 920 2HB LYS1033 HB2 LYS1033 -1.158 -0.767 -7.435 921 1HG LYS1033 HG1 LYS1033 -1.971 -2.720 -8.656 922 2HG LYS1033 HG2 LYS1033 -3.615 -2.374 -8.114 923 1HD LYS1033 HD1 LYS1033 -3.646 -0.303 -9.310 924 2HD LYS1033 HD2 LYS1033 -1.930 -0.438 -9.692 925 1HE LYS1033 HE1 LYS1033 -3.285 -1.014 -11.623 926 2HE LYS1033 HE2 LYS1033 -2.389 -2.418 -11.050 927 1HZ LYS1033 HZ1 LYS1033 -4.383 -3.228 -9.974 928 2HZ LYS1033 HZ2 LYS1033 -5.250 -1.857 -10.474 929 3HZ LYS1033 HZ3 LYS1033 -4.674 -2.962 -11.624 930 H ASN1034 H ASN1034 0.616 -2.435 -6.223 931 HA ASN1034 HA ASN1034 0.527 -4.870 -7.688 932 1HB ASN1034 HB1 ASN1034 2.388 -3.194 -7.789 933 2HB ASN1034 HB2 ASN1034 2.879 -3.710 -6.180 934 1HD2 ASN1034 2HD2 ASN1034 3.866 -5.697 -5.916 935 2HD2 ASN1034 1HD2 ASN1034 4.467 -6.618 -7.247 936 H LEU1035 H LEU1035 1.221 -4.108 -4.340 937 HA LEU1035 HA LEU1035 1.942 -6.796 -3.556 938 1HB LEU1035 HB1 LEU1035 2.802 -4.776 -2.417 939 2HB LEU1035 HB2 LEU1035 1.173 -4.328 -1.947 940 HG LEU1035 HG LEU1035 2.663 -5.317 -0.159 941 1HD1 LEU1035 1HD1 LEU1035 0.030 -6.663 -0.705 942 2HD1 LEU1035 2HD1 LEU1035 0.883 -6.661 0.840 943 3HD1 LEU1035 3HD1 LEU1035 0.280 -5.148 0.162 944 1HD2 LEU1035 1HD2 LEU1035 2.854 -7.732 -0.073 945 2HD2 LEU1035 2HD2 LEU1035 2.094 -7.858 -1.659 946 3HD2 LEU1035 3HD2 LEU1035 3.666 -7.075 -1.494 947 H LEU1036 H LEU1036 -0.926 -4.722 -3.514 948 HA LEU1036 HA LEU1036 -2.775 -6.185 -2.136 949 1HB LEU1036 HB1 LEU1036 -3.326 -4.041 -3.018 950 2HB LEU1036 HB2 LEU1036 -3.035 -4.565 -4.660 951 HG LEU1036 HG LEU1036 -5.230 -5.939 -3.198 952 1HD1 LEU1036 1HD1 LEU1036 -5.515 -3.574 -2.561 953 2HD1 LEU1036 2HD1 LEU1036 -5.469 -3.123 -4.265 954 3HD1 LEU1036 3HD1 LEU1036 -6.787 -4.121 -3.653 955 1HD2 LEU1036 1HD2 LEU1036 -6.271 -5.821 -5.406 956 2HD2 LEU1036 2HD2 LEU1036 -4.938 -4.830 -5.994 957 3HD2 LEU1036 3HD2 LEU1036 -4.649 -6.505 -5.519 958 H ASP1037 H ASP1037 -1.716 -6.689 -5.440 959 HA ASP1037 HA ASP1037 -3.584 -8.902 -5.786 960 1HB ASP1037 HB1 ASP1037 -3.387 -7.434 -7.689 961 2HB ASP1037 HB2 ASP1037 -1.634 -7.616 -7.705 962 H VAL1038 H VAL1038 -0.127 -8.322 -5.704 963 HA VAL1038 HA VAL1038 0.543 -11.044 -6.154 964 HB VAL1038 HB VAL1038 2.419 -8.985 -4.962 965 1HG1 VAL1038 1HG1 VAL1038 4.081 -10.306 -6.109 966 2HG1 VAL1038 2HG1 VAL1038 3.072 -11.391 -5.150 967 3HG1 VAL1038 3HG1 VAL1038 2.833 -11.281 -6.894 968 1HG2 VAL1038 1HG2 VAL1038 1.700 -9.432 -7.877 969 2HG2 VAL1038 2HG2 VAL1038 1.281 -8.010 -6.922 970 3HG2 VAL1038 3HG2 VAL1038 2.972 -8.371 -7.271 971 H ILE1039 H ILE1039 0.099 -9.212 -3.185 972 HA ILE1039 HA ILE1039 0.726 -11.423 -1.425 973 HB ILE1039 HB ILE1039 0.589 -8.783 -0.926 974 1HG1 ILE1039 1HG1 ILE1039 0.009 -11.058 0.965 975 2HG1 ILE1039 2HG1 ILE1039 1.561 -10.286 0.644 976 1HG2 ILE1039 1HG2 ILE1039 -2.069 -9.820 0.038 977 2HG2 ILE1039 2HG2 ILE1039 -1.382 -8.231 0.372 978 3HG2 ILE1039 3HG2 ILE1039 -1.845 -8.661 -1.275 979 1HD1 ILE1039 1HD1 ILE1039 0.560 -9.644 2.810 980 2HD1 ILE1039 2HD1 ILE1039 0.841 -8.273 1.734 981 3HD1 ILE1039 3HD1 ILE1039 -0.793 -8.922 1.930 982 H ASP1040 H ASP1040 -2.282 -9.994 -2.758 983 HA ASP1040 HA ASP1040 -4.074 -11.911 -1.912 984 1HB ASP1040 HB1 ASP1040 -4.769 -10.147 -3.449 985 2HB ASP1040 HB2 ASP1040 -3.741 -10.798 -4.717 986 H GLN1041 H GLN1041 -1.540 -12.099 -4.308 987 HA GLN1041 HA GLN1041 -1.939 -14.883 -4.831 988 1HB GLN1041 HB1 GLN1041 0.336 -13.037 -5.493 989 2HB GLN1041 HB2 GLN1041 0.342 -14.755 -5.874 990 1HG GLN1041 HG1 GLN1041 -1.538 -14.504 -7.332 991 2HG GLN1041 HG2 GLN1041 -1.756 -12.824 -6.841 992 1HE2 GLN1041 2HE2 GLN1041 -0.434 -11.256 -7.674 993 2HE2 GLN1041 1HE2 GLN1041 0.656 -11.539 -8.985 994 H ALA1042 H ALA1042 0.101 -13.025 -2.498 995 HA ALA1042 HA ALA1042 1.562 -15.056 -1.495 996 1HB ALA1042 HB1 ALA1042 -0.055 -13.138 0.167 997 2HB ALA1042 HB2 ALA1042 1.359 -14.046 0.705 998 3HB ALA1042 HB3 ALA1042 1.526 -12.805 -0.536 999 H ARG1043 H ARG1043 -1.757 -14.320 -0.444 1000 HA ARG1043 HA ARG1043 -2.117 -16.665 1.027 1001 1HB ARG1043 HB1 ARG1043 -3.628 -14.453 0.573 1002 2HB ARG1043 HB2 ARG1043 -4.545 -15.679 -0.297 1003 1HG ARG1043 HG1 ARG1043 -5.395 -15.543 1.925 1004 2HG ARG1043 HG2 ARG1043 -4.522 -17.068 1.761 1005 1HD ARG1043 HD1 ARG1043 -2.607 -16.139 2.905 1006 2HD ARG1043 HD2 ARG1043 -3.378 -14.553 2.955 1007 HE ARG1043 HE ARG1043 -5.152 -16.156 4.247 1008 1HH1 ARG1043 2HH1 ARG1043 -1.713 -15.581 4.700 1009 2HH1 ARG1043 1HH1 ARG1043 -1.777 -15.819 6.422 1010 1HH2 ARG1043 2HH2 ARG1043 -5.225 -16.459 6.500 1011 2HH2 ARG1043 1HH2 ARG1043 -3.766 -16.315 7.434 1012 H LEU1044 H LEU1044 -2.447 -16.127 -2.424 1013 HA LEU1044 HA LEU1044 -3.600 -18.715 -2.948 1014 1HB LEU1044 HB1 LEU1044 -3.943 -16.786 -4.448 1015 2HB LEU1044 HB2 LEU1044 -2.235 -16.784 -4.826 1016 HG LEU1044 HG LEU1044 -2.490 -19.052 -5.813 1017 1HD1 LEU1044 1HD1 LEU1044 -4.451 -19.780 -4.567 1018 2HD1 LEU1044 2HD1 LEU1044 -5.427 -18.546 -5.364 1019 3HD1 LEU1044 3HD1 LEU1044 -4.741 -19.870 -6.305 1020 1HD2 LEU1044 1HD2 LEU1044 -2.538 -17.065 -7.221 1021 2HD2 LEU1044 2HD2 LEU1044 -3.636 -18.301 -7.841 1022 3HD2 LEU1044 3HD2 LEU1044 -4.277 -16.913 -6.961 1023 H LYS1045 H LYS1045 -0.439 -17.375 -2.623 1024 HA LYS1045 HA LYS1045 1.170 -19.367 -3.763 1025 1HB LYS1045 HB1 LYS1045 1.456 -17.101 -1.955 1026 2HB LYS1045 HB2 LYS1045 2.508 -18.428 -1.494 1027 1HG LYS1045 HG1 LYS1045 3.526 -16.723 -2.981 1028 2HG LYS1045 HG2 LYS1045 3.626 -18.383 -3.564 1029 1HD LYS1045 HD1 LYS1045 1.624 -17.922 -4.990 1030 2HD LYS1045 HD2 LYS1045 1.731 -16.230 -4.499 1031 1HE LYS1045 HE1 LYS1045 2.807 -16.526 -6.638 1032 2HE LYS1045 HE2 LYS1045 4.015 -16.136 -5.415 1033 1HZ LYS1045 HZ1 LYS1045 4.510 -18.535 -5.259 1034 2HZ LYS1045 HZ2 LYS1045 3.421 -18.828 -6.526 1035 3HZ LYS1045 HZ3 LYS1045 4.816 -17.905 -6.806 1036 H MET1046 H MET1046 -0.374 -19.018 -0.668 1037 HA MET1046 HA MET1046 0.737 -21.365 0.516 1038 1HB MET1046 HB1 MET1046 -0.293 -19.507 1.803 1039 2HB MET1046 HB2 MET1046 -1.858 -19.962 1.158 1040 1HG MET1046 HG1 MET1046 -0.186 -21.912 2.678 1041 2HG MET1046 HG2 MET1046 -1.199 -20.739 3.517 1042 1HE MET1046 HE1 MET1046 -2.444 -22.778 4.749 1043 2HE MET1046 HE2 MET1046 -3.164 -24.135 3.883 1044 3HE MET1046 HE3 MET1046 -1.414 -23.913 3.879 1045 H ILE1047 H ILE1047 -2.253 -20.649 -1.212 1046 HA ILE1047 HA ILE1047 -3.374 -23.216 -1.228 1047 HB ILE1047 HB ILE1047 -3.539 -21.088 -3.368 1048 1HG1 ILE1047 1HG1 ILE1047 -4.237 -20.265 -1.187 1049 2HG1 ILE1047 2HG1 ILE1047 -5.630 -20.436 -2.251 1050 1HG2 ILE1047 1HG2 ILE1047 -4.261 -23.252 -4.207 1051 2HG2 ILE1047 2HG2 ILE1047 -5.344 -23.440 -2.828 1052 3HG2 ILE1047 3HG2 ILE1047 -5.639 -22.169 -4.013 1053 1HD1 ILE1047 1HD1 ILE1047 -6.210 -22.535 -1.137 1054 2HD1 ILE1047 2HD1 ILE1047 -4.821 -22.345 -0.067 1055 3HD1 ILE1047 3HD1 ILE1047 -6.150 -21.186 -0.005 1056 H SER1048 H SER1048 -0.868 -21.720 -3.108 1057 HA SER1048 HA SER1048 -0.604 -23.629 -5.152 1058 1HB SER1048 HB1 SER1048 1.417 -21.730 -3.927 1059 2HB SER1048 HB2 SER1048 1.667 -22.628 -5.429 1060 HG SER1048 HG SER1048 -0.537 -20.884 -5.010 1061 H GLN1049 H GLN1049 0.527 -23.550 -1.846 1062 HA GLN1049 HA GLN1049 2.327 -25.785 -2.199 1063 1HB GLN1049 HB1 GLN1049 2.701 -23.959 -0.523 1064 2HB GLN1049 HB2 GLN1049 1.312 -24.558 0.372 1065 1HG GLN1049 HG1 GLN1049 2.436 -26.678 0.737 1066 2HG GLN1049 HG2 GLN1049 3.819 -26.124 -0.207 1067 1HE2 GLN1049 2HE2 GLN1049 2.091 -25.866 2.789 1068 2HE2 GLN1049 1HE2 GLN1049 3.318 -24.995 3.658 1069 H SER1050 H SER1050 -0.966 -25.236 -1.166 1070 HA SER1050 HA SER1050 -1.345 -27.923 -0.172 1071 1HB SER1050 HB1 SER1050 -2.562 -26.056 0.849 1072 2HB SER1050 HB2 SER1050 -3.320 -25.682 -0.694 1073 HG SER1050 HG SER1050 -4.162 -27.360 1.174 1074 H ARG1051 H ARG1051 -1.430 -26.380 -3.180 1075 HA ARG1051 HA ARG1051 -3.554 -27.570 -4.505 1076 1HB ARG1051 HB1 ARG1051 -2.202 -25.656 -5.327 1077 2HB ARG1051 HB2 ARG1051 -0.902 -26.775 -5.708 1078 1HG ARG1051 HG1 ARG1051 -2.360 -27.922 -7.305 1079 2HG ARG1051 HG2 ARG1051 -3.656 -26.787 -6.926 1080 1HD ARG1051 HD1 ARG1051 -2.196 -24.935 -7.670 1081 2HD ARG1051 HD2 ARG1051 -0.979 -26.120 -8.139 1082 HE ARG1051 HE ARG1051 -3.589 -26.503 -9.338 1083 1HH1 ARG1051 2HH1 ARG1051 -0.392 -25.117 -9.656 1084 2HH1 ARG1051 1HH1 ARG1051 -0.539 -24.832 -11.370 1085 1HH2 ARG1051 2HH2 ARG1051 -3.778 -26.188 -11.579 1086 2HH2 ARG1051 1HH2 ARG1051 -2.466 -25.480 -12.478 1087 HA PRO1052 HA PRO1052 -0.851 -31.123 -6.072 1088 1HB PRO1052 HB1 PRO1052 1.790 -31.177 -4.994 1089 2HB PRO1052 HB2 PRO1052 1.302 -30.783 -6.642 1090 1HG PRO1052 HG1 PRO1052 2.417 -28.994 -4.844 1091 2HG PRO1052 HG2 PRO1052 1.472 -28.546 -6.274 1092 1HD PRO1052 HD1 PRO1052 0.620 -28.712 -3.412 1093 2HD PRO1052 HD2 PRO1052 0.161 -27.534 -4.662 1094 H HIS1053 H HIS1053 -1.637 -30.607 -3.024 1095 HA HIS1053 HA HIS1053 -0.428 -33.043 -1.922 1096 1HB HIS1053 HB1 HIS1053 -0.291 -30.931 -0.598 1097 2HB HIS1053 HB2 HIS1053 -2.047 -30.925 -0.490 1098 HD1 HIS1053 HD1 HIS1053 0.858 -33.188 0.465 1099 HD2 HIS1053 HD2 HIS1053 -3.004 -32.236 1.691 1100 HE1 HIS1053 HE1 HIS1053 0.500 -34.438 2.615 1101 HE2 HIS1053 HE2 HIS1053 -1.734 -33.645 3.457 Start of MODEL 4 1 1H ARG 920 H ARG 920 -7.939 -20.703 -2.789 2 HA ARG 920 HA ARG 920 -7.726 -18.446 -1.229 3 1HB ARG 920 HB1 ARG 920 -6.083 -18.919 -2.827 4 2HB ARG 920 HB2 ARG 920 -7.256 -18.863 -4.141 5 1HG ARG 920 HG1 ARG 920 -7.591 -16.415 -3.544 6 2HG ARG 920 HG2 ARG 920 -6.137 -16.585 -2.546 7 1HD ARG 920 HD1 ARG 920 -4.795 -17.055 -4.323 8 2HD ARG 920 HD2 ARG 920 -6.137 -17.598 -5.314 9 HE ARG 920 HE ARG 920 -5.809 -14.736 -4.668 10 1HH1 ARG 920 2HH1 ARG 920 -6.143 -17.336 -6.999 11 2HH1 ARG 920 1HH1 ARG 920 -6.128 -16.284 -8.377 12 1HH2 ARG 920 2HH2 ARG 920 -5.822 -13.339 -6.474 13 2HH2 ARG 920 1HH2 ARG 920 -5.960 -14.007 -8.081 14 H SER 921 H SER 921 -9.399 -17.225 -0.605 15 HA SER 921 HA SER 921 -11.227 -16.194 -2.674 16 1HB SER 921 HB1 SER 921 -12.054 -17.490 -0.551 17 2HB SER 921 HB2 SER 921 -11.721 -15.978 0.288 18 HG SER 921 HG SER 921 -13.281 -14.973 -0.869 19 H ASN 922 H ASN 922 -8.540 -15.313 -2.178 20 HA ASN 922 HA ASN 922 -7.191 -13.561 -1.637 21 1HB ASN 922 HB1 ASN 922 -9.159 -11.460 -1.988 22 2HB ASN 922 HB2 ASN 922 -7.677 -11.764 -2.878 23 1HD2 ASN 922 2HD2 ASN 922 -7.710 -13.349 -4.533 24 2HD2 ASN 922 1HD2 ASN 922 -9.162 -13.605 -5.464 25 H ASP 923 H ASP 923 -7.668 -14.496 0.501 26 HA ASP 923 HA ASP 923 -9.304 -13.569 2.466 27 1HB ASP 923 HB1 ASP 923 -7.498 -15.459 2.388 28 2HB ASP 923 HB2 ASP 923 -6.448 -14.234 3.085 29 H LYS 924 H LYS 924 -8.017 -12.618 4.565 30 HA LYS 924 HA LYS 924 -8.275 -9.929 4.588 31 1HB LYS 924 HB1 LYS 924 -7.648 -11.659 6.458 32 2HB LYS 924 HB2 LYS 924 -6.009 -11.110 6.153 33 1HG LYS 924 HG1 LYS 924 -8.180 -9.137 6.730 34 2HG LYS 924 HG2 LYS 924 -7.400 -10.020 8.039 35 1HD LYS 924 HD1 LYS 924 -5.228 -9.149 7.346 36 2HD LYS 924 HD2 LYS 924 -5.986 -8.299 6.000 37 1HE LYS 924 HE1 LYS 924 -5.563 -6.788 7.861 38 2HE LYS 924 HE2 LYS 924 -7.292 -6.959 7.566 39 1HZ LYS 924 HZ1 LYS 924 -6.719 -7.020 9.933 40 2HZ LYS 924 HZ2 LYS 924 -7.454 -8.460 9.425 41 3HZ LYS 924 HZ3 LYS 924 -5.775 -8.408 9.678 42 H VAL 925 H VAL 925 -5.588 -11.635 3.238 43 HA VAL 925 HA VAL 925 -3.682 -9.611 3.055 44 HB VAL 925 HB VAL 925 -2.881 -10.891 1.020 45 1HG1 VAL 925 1HG1 VAL 925 -2.162 -12.828 2.364 46 2HG1 VAL 925 2HG1 VAL 925 -2.021 -11.322 3.271 47 3HG1 VAL 925 3HG1 VAL 925 -3.364 -12.422 3.589 48 1HG2 VAL 925 1HG2 VAL 925 -5.025 -11.781 0.297 49 2HG2 VAL 925 2HG2 VAL 925 -3.909 -13.099 0.657 50 3HG2 VAL 925 3HG2 VAL 925 -5.185 -12.685 1.804 51 H TYR 926 H TYR 926 -6.306 -10.500 0.689 52 HA TYR 926 HA TYR 926 -5.434 -8.360 -1.054 53 1HB TYR 926 HB1 TYR 926 -6.463 -10.233 -2.114 54 2HB TYR 926 HB2 TYR 926 -7.857 -10.160 -1.042 55 HD1 TYR 926 HD1 TYR 926 -6.160 -8.487 -3.863 56 HD2 TYR 926 HD2 TYR 926 -9.708 -8.747 -1.523 57 HE1 TYR 926 HE1 TYR 926 -7.335 -7.085 -5.506 58 HE2 TYR 926 HE2 TYR 926 -10.896 -7.345 -3.165 59 HH TYR 926 HH TYR 926 -9.646 -6.674 -6.242 60 H GLU 927 H GLU 927 -7.897 -8.948 1.320 61 HA GLU 927 HA GLU 927 -9.564 -6.768 0.837 62 1HB GLU 927 HB1 GLU 927 -9.600 -8.936 2.483 63 2HB GLU 927 HB2 GLU 927 -9.306 -7.642 3.634 64 1HG GLU 927 HG1 GLU 927 -11.288 -6.459 2.643 65 2HG GLU 927 HG2 GLU 927 -11.629 -7.945 1.763 66 H ASN 928 H ASN 928 -6.837 -7.137 3.081 67 HA ASN 928 HA ASN 928 -7.267 -4.603 4.300 68 1HB ASN 928 HB1 ASN 928 -6.132 -6.594 5.366 69 2HB ASN 928 HB2 ASN 928 -4.717 -6.199 4.393 70 1HD2 ASN 928 2HD2 ASN 928 -6.879 -3.811 5.749 71 2HD2 ASN 928 1HD2 ASN 928 -5.741 -3.158 6.874 72 H VAL 929 H VAL 929 -4.878 -5.768 1.907 73 HA VAL 929 HA VAL 929 -3.568 -3.303 1.675 74 HB VAL 929 HB VAL 929 -3.780 -5.432 -0.459 75 1HG1 VAL 929 1HG1 VAL 929 -3.007 -3.279 -1.333 76 2HG1 VAL 929 2HG1 VAL 929 -1.799 -3.183 -0.051 77 3HG1 VAL 929 3HG1 VAL 929 -1.683 -4.443 -1.280 78 1HG2 VAL 929 1HG2 VAL 929 -1.638 -6.193 0.439 79 2HG2 VAL 929 2HG2 VAL 929 -1.737 -4.976 1.713 80 3HG2 VAL 929 3HG2 VAL 929 -2.914 -6.288 1.653 81 H THR 930 H THR 930 -6.478 -4.480 0.081 82 HA THR 930 HA THR 930 -6.873 -2.284 -1.638 83 HB THR 930 HB THR 930 -9.004 -3.790 -0.091 84 HG1 THR 930 HG1 THR 930 -7.834 -5.273 -1.305 85 1HG2 THR 930 1HG2 THR 930 -9.160 -2.244 -2.679 86 2HG2 THR 930 2HG2 THR 930 -10.480 -3.145 -1.933 87 3HG2 THR 930 3HG2 THR 930 -9.816 -1.723 -1.127 88 H GLY 931 H GLY 931 -7.347 -2.798 1.756 89 1HA GLY 931 HA1 GLY 931 -8.559 -0.423 2.550 90 2HA GLY 931 HA2 GLY 931 -7.452 -1.362 3.538 91 H LEU 932 H LEU 932 -5.094 -0.991 1.771 92 HA LEU 932 HA LEU 932 -4.205 1.515 2.735 93 1HB LEU 932 HB1 LEU 932 -2.736 -0.424 1.949 94 2HB LEU 932 HB2 LEU 932 -3.079 0.105 0.309 95 HG LEU 932 HG LEU 932 -1.764 1.886 2.378 96 1HD1 LEU 932 1HD1 LEU 932 -0.459 0.177 0.268 97 2HD1 LEU 932 2HD1 LEU 932 0.353 1.406 1.240 98 3HD1 LEU 932 3HD1 LEU 932 -0.329 -0.023 2.017 99 1HD2 LEU 932 1HD2 LEU 932 -2.798 3.075 0.500 100 2HD2 LEU 932 2HD2 LEU 932 -1.039 3.194 0.448 101 3HD2 LEU 932 3HD2 LEU 932 -1.880 2.083 -0.633 102 H VAL 933 H VAL 933 -5.454 0.456 -0.399 103 HA VAL 933 HA VAL 933 -5.352 2.879 -1.768 104 HB VAL 933 HB VAL 933 -7.566 0.829 -1.973 105 1HG1 VAL 933 1HG1 VAL 933 -6.537 2.836 -3.977 106 2HG1 VAL 933 2HG1 VAL 933 -7.811 1.649 -4.258 107 3HG1 VAL 933 3HG1 VAL 933 -8.057 2.947 -3.090 108 1HG2 VAL 933 1HG2 VAL 933 -4.909 0.936 -3.402 109 2HG2 VAL 933 2HG2 VAL 933 -5.406 -0.260 -2.204 110 3HG2 VAL 933 3HG2 VAL 933 -6.222 -0.183 -3.766 111 H LYS 934 H LYS 934 -7.865 1.610 0.375 112 HA LYS 934 HA LYS 934 -9.669 3.739 0.192 113 1HB LYS 934 HB1 LYS 934 -9.190 2.106 2.682 114 2HB LYS 934 HB2 LYS 934 -10.674 2.910 2.201 115 1HG LYS 934 HG1 LYS 934 -9.436 0.577 0.756 116 2HG LYS 934 HG2 LYS 934 -10.733 0.456 1.941 117 1HD LYS 934 HD1 LYS 934 -11.960 0.464 0.014 118 2HD LYS 934 HD2 LYS 934 -11.896 2.197 0.329 119 1HE LYS 934 HE1 LYS 934 -10.077 2.457 -1.233 120 2HE LYS 934 HE2 LYS 934 -9.983 0.712 -1.470 121 1HZ LYS 934 HZ1 LYS 934 -12.240 0.778 -2.390 122 2HZ LYS 934 HZ2 LYS 934 -12.266 2.467 -2.224 123 3HZ LYS 934 HZ3 LYS 934 -11.165 1.738 -3.287 124 H ALA 935 H ALA 935 -6.835 3.272 2.234 125 HA ALA 935 HA ALA 935 -7.369 5.627 3.791 126 1HB ALA 935 HB1 ALA 935 -4.926 3.882 3.713 127 2HB ALA 935 HB2 ALA 935 -5.262 5.142 4.901 128 3HB ALA 935 HB3 ALA 935 -6.294 3.714 4.812 129 H VAL 936 H VAL 936 -5.431 4.884 0.941 130 HA VAL 936 HA VAL 936 -4.273 7.514 0.996 131 HB VAL 936 HB VAL 936 -3.068 5.688 -0.139 132 1HG1 VAL 936 1HG1 VAL 936 -3.775 4.913 -2.341 133 2HG1 VAL 936 2HG1 VAL 936 -4.976 4.517 -1.112 134 3HG1 VAL 936 3HG1 VAL 936 -5.255 5.866 -2.211 135 1HG2 VAL 936 1HG2 VAL 936 -3.832 7.984 -1.939 136 2HG2 VAL 936 2HG2 VAL 936 -2.552 7.978 -0.726 137 3HG2 VAL 936 3HG2 VAL 936 -2.423 6.942 -2.148 138 H ILE 937 H ILE 937 -7.226 6.110 0.024 139 HA ILE 937 HA ILE 937 -8.189 8.314 -1.497 140 HB ILE 937 HB ILE 937 -9.615 6.175 0.085 141 1HG1 ILE 937 1HG1 ILE 937 -8.585 5.418 -1.977 142 2HG1 ILE 937 2HG1 ILE 937 -10.336 5.428 -2.161 143 1HG2 ILE 937 1HG2 ILE 937 -11.725 6.963 -0.860 144 2HG2 ILE 937 2HG2 ILE 937 -10.991 8.180 0.185 145 3HG2 ILE 937 3HG2 ILE 937 -10.892 8.348 -1.568 146 1HD1 ILE 937 1HD1 ILE 937 -8.438 7.520 -3.204 147 2HD1 ILE 937 2HD1 ILE 937 -9.230 6.262 -4.153 148 3HD1 ILE 937 3HD1 ILE 937 -10.193 7.528 -3.392 149 H GLU 938 H GLU 938 -8.132 7.479 1.934 150 HA GLU 938 HA GLU 938 -9.325 9.697 3.061 151 1HB GLU 938 HB1 GLU 938 -6.775 8.345 3.975 152 2HB GLU 938 HB2 GLU 938 -7.709 9.477 4.941 153 1HG GLU 938 HG1 GLU 938 -8.708 6.829 3.919 154 2HG GLU 938 HG2 GLU 938 -8.131 7.147 5.554 155 H MET 939 H MET 939 -6.050 9.387 1.752 156 HA MET 939 HA MET 939 -5.035 11.879 2.445 157 1HB MET 939 HB1 MET 939 -3.657 10.098 1.498 158 2HB MET 939 HB2 MET 939 -4.498 10.241 -0.040 159 1HG MET 939 HG1 MET 939 -3.679 12.677 -0.016 160 2HG MET 939 HG2 MET 939 -2.554 12.131 1.226 161 1HE MET 939 HE1 MET 939 -3.669 11.908 -2.490 162 2HE MET 939 HE2 MET 939 -2.673 10.596 -3.118 163 3HE MET 939 HE3 MET 939 -3.951 10.252 -1.952 164 H SER 940 H SER 940 -6.845 10.946 -0.485 165 HA SER 940 HA SER 940 -6.652 13.558 -1.614 166 1HB SER 940 HB1 SER 940 -8.528 12.590 -3.139 167 2HB SER 940 HB2 SER 940 -6.910 11.896 -3.225 168 HG SER 940 HG SER 940 -9.275 10.793 -2.294 169 H SER 941 H SER 941 -8.817 12.037 0.628 170 HA SER 941 HA SER 941 -10.958 13.943 0.168 171 1HB SER 941 HB1 SER 941 -10.585 11.974 2.448 172 2HB SER 941 HB2 SER 941 -12.073 12.825 2.029 173 HG SER 941 HG SER 941 -10.746 10.772 0.601 174 H LYS 942 H LYS 942 -8.483 13.206 2.477 175 HA LYS 942 HA LYS 942 -8.784 15.188 4.356 176 1HB LYS 942 HB1 LYS 942 -6.758 13.317 3.488 177 2HB LYS 942 HB2 LYS 942 -6.027 14.835 3.986 178 1HG LYS 942 HG1 LYS 942 -8.033 13.436 5.712 179 2HG LYS 942 HG2 LYS 942 -6.317 13.007 5.738 180 1HD LYS 942 HD1 LYS 942 -5.691 15.201 6.373 181 2HD LYS 942 HD2 LYS 942 -7.324 15.813 6.083 182 1HE LYS 942 HE1 LYS 942 -6.870 15.547 8.480 183 2HE LYS 942 HE2 LYS 942 -8.170 14.486 7.946 184 1HZ LYS 942 HZ1 LYS 942 -6.756 12.615 8.044 185 2HZ LYS 942 HZ2 LYS 942 -5.366 13.566 8.211 186 3HZ LYS 942 HZ3 LYS 942 -6.481 13.476 9.480 187 H ILE 943 H ILE 943 -6.884 15.286 1.332 188 HA ILE 943 HA ILE 943 -5.856 17.869 1.802 189 HB ILE 943 HB ILE 943 -4.812 16.280 0.215 190 1HG1 ILE 943 1HG1 ILE 943 -5.603 18.917 -1.049 191 2HG1 ILE 943 2HG1 ILE 943 -4.308 18.700 0.122 192 1HG2 ILE 943 1HG2 ILE 943 -7.153 16.958 -1.560 193 2HG2 ILE 943 2HG2 ILE 943 -5.713 16.071 -2.063 194 3HG2 ILE 943 3HG2 ILE 943 -6.792 15.384 -0.849 195 1HD1 ILE 943 1HD1 ILE 943 -3.415 18.857 -2.115 196 2HD1 ILE 943 2HD1 ILE 943 -3.141 17.240 -1.464 197 3HD1 ILE 943 3HD1 ILE 943 -4.428 17.511 -2.639 198 H GLN 944 H GLN 944 -8.865 16.772 0.381 199 HA GLN 944 HA GLN 944 -9.626 18.953 -1.107 200 1HB GLN 944 HB1 GLN 944 -11.333 17.198 0.651 201 2HB GLN 944 HB2 GLN 944 -11.990 18.381 -0.472 202 1HG GLN 944 HG1 GLN 944 -11.153 17.213 -2.344 203 2HG GLN 944 HG2 GLN 944 -10.139 16.181 -1.335 204 1HE2 GLN 944 2HE2 GLN 944 -11.013 14.304 -2.128 205 2HE2 GLN 944 1HE2 GLN 944 -12.609 13.765 -1.710 206 HA PRO 945 HA PRO 945 -10.997 21.547 2.508 207 1HB PRO 945 HB1 PRO 945 -11.736 20.591 4.870 208 2HB PRO 945 HB2 PRO 945 -12.728 20.314 3.434 209 1HG PRO 945 HG1 PRO 945 -10.954 18.436 4.897 210 2HG PRO 945 HG2 PRO 945 -12.434 18.105 3.983 211 1HD PRO 945 HD1 PRO 945 -9.733 17.834 3.094 212 2HD PRO 945 HD2 PRO 945 -11.214 17.592 2.149 213 H ALA 946 H ALA 946 -8.189 20.052 2.622 214 HA ALA 946 HA ALA 946 -7.382 20.907 5.307 215 1HB ALA 946 HB1 ALA 946 -6.876 18.610 4.687 216 2HB ALA 946 HB2 ALA 946 -5.915 19.184 3.324 217 3HB ALA 946 HB3 ALA 946 -5.403 19.534 4.974 218 HA PRO 947 HA PRO 947 -4.486 23.933 3.609 219 1HB PRO 947 HB1 PRO 947 -3.331 24.616 5.916 220 2HB PRO 947 HB2 PRO 947 -5.004 25.087 5.586 221 1HG PRO 947 HG1 PRO 947 -3.960 22.854 7.279 222 2HG PRO 947 HG2 PRO 947 -5.301 23.967 7.598 223 1HD PRO 947 HD1 PRO 947 -5.577 21.401 6.608 224 2HD PRO 947 HD2 PRO 947 -6.781 22.690 6.431 225 HA PRO 948 HA PRO 948 -0.494 21.895 3.246 226 1HB PRO 948 HB1 PRO 948 1.211 23.452 4.829 227 2HB PRO 948 HB2 PRO 948 0.885 23.680 3.108 228 1HG PRO 948 HG1 PRO 948 -0.311 25.065 5.467 229 2HG PRO 948 HG2 PRO 948 0.099 25.716 3.869 230 1HD PRO 948 HD1 PRO 948 -2.431 25.199 4.521 231 2HD PRO 948 HD2 PRO 948 -1.826 24.846 2.885 232 H GLU 949 H GLU 949 -1.312 22.922 6.495 233 HA GLU 949 HA GLU 949 0.368 21.325 7.984 234 1HB GLU 949 HB1 GLU 949 -2.449 22.223 8.552 235 2HB GLU 949 HB2 GLU 949 -1.436 21.411 9.738 236 1HG GLU 949 HG1 GLU 949 0.247 23.306 9.234 237 2HG GLU 949 HG2 GLU 949 -1.158 24.139 8.566 238 H GLU 950 H GLU 950 -2.725 20.496 6.463 239 HA GLU 950 HA GLU 950 -2.481 17.800 7.548 240 1HB GLU 950 HB1 GLU 950 -4.735 19.280 6.277 241 2HB GLU 950 HB2 GLU 950 -4.725 17.519 6.262 242 1HG GLU 950 HG1 GLU 950 -6.017 18.266 8.124 243 2HG GLU 950 HG2 GLU 950 -4.530 17.537 8.724 244 H TYR 951 H TYR 951 -1.301 19.339 4.896 245 HA TYR 951 HA TYR 951 -1.732 17.348 2.916 246 1HB TYR 951 HB1 TYR 951 0.585 19.261 3.293 247 2HB TYR 951 HB2 TYR 951 0.429 18.178 1.913 248 HD1 TYR 951 HD1 TYR 951 0.708 21.072 1.581 249 HD2 TYR 951 HD2 TYR 951 -2.785 18.718 2.141 250 HE1 TYR 951 HE1 TYR 951 -0.615 22.788 0.436 251 HE2 TYR 951 HE2 TYR 951 -4.128 20.421 0.991 252 HH TYR 951 HH TYR 951 -4.071 22.749 0.440 253 H VAL 952 H VAL 952 0.632 17.801 5.495 254 HA VAL 952 HA VAL 952 1.914 15.332 4.885 255 HB VAL 952 HB VAL 952 3.442 16.504 6.026 256 1HG1 VAL 952 1HG1 VAL 952 1.302 17.617 7.830 257 2HG1 VAL 952 2HG1 VAL 952 3.022 17.976 7.964 258 3HG1 VAL 952 3HG1 VAL 952 2.133 18.451 6.518 259 1HG2 VAL 952 1HG2 VAL 952 2.046 15.104 8.304 260 2HG2 VAL 952 2HG2 VAL 952 3.279 14.426 7.240 261 3HG2 VAL 952 3HG2 VAL 952 3.694 15.730 8.352 262 HA PRO 953 HA PRO 953 -0.916 13.458 8.543 263 1HB PRO 953 HB1 PRO 953 -3.125 15.376 7.958 264 2HB PRO 953 HB2 PRO 953 -2.785 14.477 9.447 265 1HG PRO 953 HG1 PRO 953 -2.104 17.015 9.288 266 2HG PRO 953 HG2 PRO 953 -0.983 15.844 10.007 267 1HD PRO 953 HD1 PRO 953 -0.894 17.152 7.332 268 2HD PRO 953 HD2 PRO 953 0.437 16.691 8.408 269 H MET 954 H MET 954 -2.143 14.856 5.475 270 HA MET 954 HA MET 954 -4.133 12.867 5.134 271 1HB MET 954 HB1 MET 954 -4.426 13.649 2.912 272 2HB MET 954 HB2 MET 954 -4.069 15.059 3.896 273 1HG MET 954 HG1 MET 954 -1.768 15.030 3.100 274 2HG MET 954 HG2 MET 954 -2.128 13.608 2.122 275 1HE MET 954 HE1 MET 954 -1.266 14.696 -0.059 276 2HE MET 954 HE2 MET 954 -1.734 16.301 -0.620 277 3HE MET 954 HE3 MET 954 -0.792 16.124 0.860 278 H VAL 955 H VAL 955 -0.835 13.155 3.801 279 HA VAL 955 HA VAL 955 -0.838 10.521 2.734 280 HB VAL 955 HB VAL 955 1.543 12.213 3.529 281 1HG1 VAL 955 1HG1 VAL 955 1.334 9.741 1.815 282 2HG1 VAL 955 2HG1 VAL 955 2.775 10.741 1.990 283 3HG1 VAL 955 3HG1 VAL 955 2.134 9.867 3.381 284 1HG2 VAL 955 1HG2 VAL 955 0.102 13.265 1.838 285 2HG2 VAL 955 2HG2 VAL 955 1.644 12.758 1.148 286 3HG2 VAL 955 3HG2 VAL 955 0.189 11.803 0.857 287 H LYS 956 H LYS 956 -0.361 11.807 5.908 288 HA LYS 956 HA LYS 956 0.944 9.606 7.119 289 1HB LYS 956 HB1 LYS 956 0.630 11.783 8.239 290 2HB LYS 956 HB2 LYS 956 -1.104 11.492 8.295 291 1HG LYS 956 HG1 LYS 956 -0.801 9.653 9.807 292 2HG LYS 956 HG2 LYS 956 0.956 9.786 9.676 293 1HD LYS 956 HD1 LYS 956 0.911 11.962 10.710 294 2HD LYS 956 HD2 LYS 956 -0.853 11.964 10.715 295 1HE LYS 956 HE1 LYS 956 0.819 9.925 12.168 296 2HE LYS 956 HE2 LYS 956 0.216 11.405 12.912 297 1HZ LYS 956 HZ1 LYS 956 -1.111 9.179 13.068 298 2HZ LYS 956 HZ2 LYS 956 -1.922 10.658 12.894 299 3HZ LYS 956 HZ3 LYS 956 -1.698 9.647 11.549 300 H GLU 957 H GLU 957 -2.453 10.342 6.526 301 HA GLU 957 HA GLU 957 -3.686 8.097 7.535 302 1HB GLU 957 HB1 GLU 957 -4.397 9.257 4.825 303 2HB GLU 957 HB2 GLU 957 -5.472 8.465 5.966 304 1HG GLU 957 HG1 GLU 957 -4.115 11.111 6.419 305 2HG GLU 957 HG2 GLU 957 -5.774 10.901 5.866 306 H VAL 958 H VAL 958 -2.116 8.505 4.387 307 HA VAL 958 HA VAL 958 -2.440 5.868 3.445 308 HB VAL 958 HB VAL 958 -0.054 7.553 2.752 309 1HG1 VAL 958 1HG1 VAL 958 -0.190 5.388 1.719 310 2HG1 VAL 958 2HG1 VAL 958 -1.828 5.725 1.160 311 3HG1 VAL 958 3HG1 VAL 958 -0.469 6.649 0.518 312 1HG2 VAL 958 1HG2 VAL 958 -2.897 8.048 1.915 313 2HG2 VAL 958 2HG2 VAL 958 -1.806 9.158 2.738 314 3HG2 VAL 958 3HG2 VAL 958 -1.497 8.699 1.064 315 H GLY 959 H GLY 959 -0.128 7.296 5.660 316 1HA GLY 959 HA1 GLY 959 1.836 5.232 5.456 317 2HA GLY 959 HA2 GLY 959 1.719 6.423 6.741 318 H LEU 960 H LEU 960 -0.706 5.879 7.857 319 HA LEU 960 HA LEU 960 -0.386 3.495 9.299 320 1HB LEU 960 HB1 LEU 960 -2.710 5.337 8.868 321 2HB LEU 960 HB2 LEU 960 -2.948 3.819 9.709 322 HG LEU 960 HG LEU 960 -2.640 5.602 11.311 323 1HD1 LEU 960 1HD1 LEU 960 -1.764 3.404 11.886 324 2HD1 LEU 960 2HD1 LEU 960 -0.207 3.830 11.172 325 3HD1 LEU 960 3HD1 LEU 960 -0.787 4.687 12.600 326 1HD2 LEU 960 1HD2 LEU 960 -0.534 6.843 11.464 327 2HD2 LEU 960 2HD2 LEU 960 0.019 6.079 9.973 328 3HD2 LEU 960 3HD2 LEU 960 -1.373 7.162 9.945 329 H ALA 961 H ALA 961 -2.029 4.187 6.321 330 HA ALA 961 HA ALA 961 -3.498 1.874 5.929 331 1HB ALA 961 HB1 ALA 961 -3.252 2.270 3.537 332 2HB ALA 961 HB2 ALA 961 -3.574 3.771 4.404 333 3HB ALA 961 HB3 ALA 961 -1.940 3.404 3.856 334 H LEU 962 H LEU 962 -0.125 2.449 4.800 335 HA LEU 962 HA LEU 962 0.261 -0.247 4.086 336 1HB LEU 962 HB1 LEU 962 1.636 1.463 3.117 337 2HB LEU 962 HB2 LEU 962 2.256 1.923 4.701 338 HG LEU 962 HG LEU 962 3.343 -0.286 4.900 339 1HD1 LEU 962 1HD1 LEU 962 3.448 -1.759 2.968 340 2HD1 LEU 962 2HD1 LEU 962 1.780 -1.531 3.495 341 3HD1 LEU 962 3HD1 LEU 962 2.380 -0.678 2.072 342 1HD2 LEU 962 1HD2 LEU 962 5.093 0.091 3.237 343 2HD2 LEU 962 2HD2 LEU 962 4.042 1.225 2.388 344 3HD2 LEU 962 3HD2 LEU 962 4.607 1.597 4.016 345 H ARG 963 H ARG 963 0.955 1.452 7.164 346 HA ARG 963 HA ARG 963 2.385 -0.593 8.390 347 1HB ARG 963 HB1 ARG 963 1.904 1.746 9.295 348 2HB ARG 963 HB2 ARG 963 0.367 1.098 9.858 349 1HG ARG 963 HG1 ARG 963 1.594 -0.591 11.176 350 2HG ARG 963 HG2 ARG 963 3.111 0.149 10.665 351 1HD ARG 963 HD1 ARG 963 2.200 2.309 11.655 352 2HD ARG 963 HD2 ARG 963 0.952 1.313 12.402 353 HE ARG 963 HE ARG 963 3.727 0.553 12.879 354 1HH1 ARG 963 2HH1 ARG 963 0.799 2.037 14.104 355 2HH1 ARG 963 1HH1 ARG 963 1.361 2.065 15.748 356 1HH2 ARG 963 2HH2 ARG 963 4.450 0.591 15.030 357 2HH2 ARG 963 1HH2 ARG 963 3.419 1.247 16.268 358 H THR 964 H THR 964 -1.131 -0.032 8.528 359 HA THR 964 HA THR 964 -1.893 -2.374 9.777 360 HB THR 964 HB THR 964 -3.383 -1.133 7.457 361 HG1 THR 964 HG1 THR 964 -4.342 0.173 9.068 362 1HG2 THR 964 1HG2 THR 964 -4.278 -3.301 8.160 363 2HG2 THR 964 2HG2 THR 964 -4.326 -2.749 9.833 364 3HG2 THR 964 3HG2 THR 964 -5.372 -2.000 8.627 365 H LEU 965 H LEU 965 -0.925 -1.935 6.430 366 HA LEU 965 HA LEU 965 -1.670 -4.518 5.493 367 1HB LEU 965 HB1 LEU 965 0.578 -2.781 4.475 368 2HB LEU 965 HB2 LEU 965 -0.138 -4.139 3.635 369 HG LEU 965 HG LEU 965 -1.186 -1.384 4.019 370 1HD1 LEU 965 1HD1 LEU 965 -1.119 -3.345 1.737 371 2HD1 LEU 965 2HD1 LEU 965 -1.762 -1.705 1.655 372 3HD1 LEU 965 3HD1 LEU 965 -0.047 -1.964 1.973 373 1HD2 LEU 965 1HD2 LEU 965 -2.952 -2.735 4.964 374 2HD2 LEU 965 2HD2 LEU 965 -3.429 -2.154 3.369 375 3HD2 LEU 965 3HD2 LEU 965 -2.897 -3.824 3.577 376 H LEU 966 H LEU 966 1.233 -3.179 6.910 377 HA LEU 966 HA LEU 966 2.983 -5.305 6.660 378 1HB LEU 966 HB1 LEU 966 3.368 -3.009 7.709 379 2HB LEU 966 HB2 LEU 966 2.725 -3.685 9.192 380 HG LEU 966 HG LEU 966 5.064 -4.999 7.842 381 1HD1 LEU 966 1HD1 LEU 966 5.661 -2.647 8.003 382 2HD1 LEU 966 2HD1 LEU 966 5.181 -2.625 9.700 383 3HD1 LEU 966 3HD1 LEU 966 6.560 -3.596 9.185 384 1HD2 LEU 966 1HD2 LEU 966 3.974 -6.150 9.716 385 2HD2 LEU 966 2HD2 LEU 966 5.614 -5.648 10.126 386 3HD2 LEU 966 3HD2 LEU 966 4.234 -4.732 10.733 387 H ALA 967 H ALA 967 0.271 -4.943 8.856 388 HA ALA 967 HA ALA 967 0.765 -7.280 10.406 389 1HB ALA 967 HB1 ALA 967 -1.843 -5.863 9.864 390 2HB ALA 967 HB2 ALA 967 -1.559 -7.057 11.131 391 3HB ALA 967 HB3 ALA 967 -0.721 -5.504 11.176 392 H THR 968 H THR 968 -1.307 -6.690 7.563 393 HA THR 968 HA THR 968 -2.199 -9.399 7.438 394 HB THR 968 HB THR 968 -3.447 -7.459 6.414 395 HG1 THR 968 HG1 THR 968 -4.270 -8.772 4.797 396 1HG2 THR 968 1HG2 THR 968 -1.584 -6.385 5.236 397 2HG2 THR 968 2HG2 THR 968 -1.431 -7.796 4.190 398 3HG2 THR 968 3HG2 THR 968 -2.888 -6.806 4.125 399 H VAL 969 H VAL 969 0.411 -7.615 5.895 400 HA VAL 969 HA VAL 969 1.546 -9.567 4.327 401 HB VAL 969 HB VAL 969 2.857 -7.486 6.072 402 1HG1 VAL 969 1HG1 VAL 969 4.919 -7.871 4.801 403 2HG1 VAL 969 2HG1 VAL 969 4.458 -9.285 5.750 404 3HG1 VAL 969 3HG1 VAL 969 4.166 -9.255 4.011 405 1HG2 VAL 969 1HG2 VAL 969 2.374 -7.657 3.100 406 2HG2 VAL 969 2HG2 VAL 969 1.513 -6.626 4.245 407 3HG2 VAL 969 3HG2 VAL 969 3.227 -6.353 3.923 408 H ASP 970 H ASP 970 1.519 -9.342 7.833 409 HA ASP 970 HA ASP 970 3.502 -11.346 8.272 410 1HB ASP 970 HB1 ASP 970 2.877 -9.604 9.949 411 2HB ASP 970 HB2 ASP 970 1.325 -10.405 10.152 412 H GLU 971 H GLU 971 0.101 -11.399 7.741 413 HA GLU 971 HA GLU 971 -0.336 -14.164 8.308 414 1HB GLU 971 HB1 GLU 971 -1.672 -12.636 6.066 415 2HB GLU 971 HB2 GLU 971 -2.316 -14.000 6.969 416 1HG GLU 971 HG1 GLU 971 -1.766 -11.275 8.109 417 2HG GLU 971 HG2 GLU 971 -3.350 -11.858 7.580 418 H SER 972 H SER 972 0.489 -12.417 5.393 419 HA SER 972 HA SER 972 0.913 -14.641 3.729 420 1HB SER 972 HB1 SER 972 0.437 -12.484 2.784 421 2HB SER 972 HB2 SER 972 1.881 -11.788 3.537 422 HG SER 972 HG SER 972 3.054 -13.436 2.258 423 H LEU 973 H LEU 973 2.912 -13.163 6.145 424 HA LEU 973 HA LEU 973 5.439 -13.786 5.082 425 1HB LEU 973 HB1 LEU 973 4.605 -12.400 7.239 426 2HB LEU 973 HB2 LEU 973 5.137 -13.866 8.033 427 HG LEU 973 HG LEU 973 6.901 -12.204 8.047 428 1HD1 LEU 973 1HD1 LEU 973 7.518 -14.448 6.136 429 2HD1 LEU 973 2HD1 LEU 973 8.701 -13.493 7.029 430 3HD1 LEU 973 3HD1 LEU 973 7.573 -14.534 7.897 431 1HD2 LEU 973 1HD2 LEU 973 6.739 -12.287 5.039 432 2HD2 LEU 973 2HD2 LEU 973 6.204 -10.955 6.063 433 3HD2 LEU 973 3HD2 LEU 973 7.913 -11.385 5.997 434 HA PRO 974 HA PRO 974 5.222 -18.097 7.413 435 1HB PRO 974 HB1 PRO 974 2.520 -18.862 7.577 436 2HB PRO 974 HB2 PRO 974 3.604 -18.534 8.931 437 1HG PRO 974 HG1 PRO 974 1.563 -16.789 7.669 438 2HG PRO 974 HG2 PRO 974 2.101 -16.860 9.357 439 1HD PRO 974 HD1 PRO 974 2.840 -14.867 7.721 440 2HD PRO 974 HD2 PRO 974 3.935 -15.512 8.959 441 H VAL 975 H VAL 975 2.823 -16.755 5.182 442 HA VAL 975 HA VAL 975 2.861 -19.114 3.478 443 HB VAL 975 HB VAL 975 1.994 -16.387 2.568 444 1HG1 VAL 975 1HG1 VAL 975 1.121 -19.188 1.876 445 2HG1 VAL 975 2HG1 VAL 975 0.433 -17.706 1.209 446 3HG1 VAL 975 3HG1 VAL 975 2.115 -18.124 0.880 447 1HG2 VAL 975 1HG2 VAL 975 -0.249 -16.911 3.414 448 2HG2 VAL 975 2HG2 VAL 975 0.385 -18.370 4.178 449 3HG2 VAL 975 3HG2 VAL 975 0.925 -16.781 4.723 450 H LEU 976 H LEU 976 5.023 -16.581 3.997 451 HA LEU 976 HA LEU 976 6.201 -16.374 1.433 452 1HB LEU 976 HB1 LEU 976 6.654 -14.591 2.833 453 2HB LEU 976 HB2 LEU 976 7.061 -15.610 4.195 454 HG LEU 976 HG LEU 976 8.864 -15.481 1.790 455 1HD1 LEU 976 1HD1 LEU 976 10.076 -13.655 2.861 456 2HD1 LEU 976 2HD1 LEU 976 8.427 -13.172 2.468 457 3HD1 LEU 976 3HD1 LEU 976 8.854 -13.577 4.131 458 1HD2 LEU 976 1HD2 LEU 976 10.597 -15.935 3.473 459 2HD2 LEU 976 2HD2 LEU 976 9.359 -15.965 4.729 460 3HD2 LEU 976 3HD2 LEU 976 9.357 -17.189 3.459 461 HA PRO 977 HA PRO 977 9.325 -19.817 2.945 462 1HB PRO 977 HB1 PRO 977 7.634 -21.157 4.986 463 2HB PRO 977 HB2 PRO 977 9.382 -20.892 4.971 464 1HG PRO 977 HG1 PRO 977 7.813 -19.469 6.576 465 2HG PRO 977 HG2 PRO 977 9.191 -18.717 5.748 466 1HD PRO 977 HD1 PRO 977 6.277 -18.593 5.069 467 2HD PRO 977 HD2 PRO 977 7.494 -17.302 5.044 468 H ALA 978 H ALA 978 5.821 -20.213 3.206 469 HA ALA 978 HA ALA 978 5.601 -22.694 1.931 470 1HB ALA 978 HB1 ALA 978 3.661 -20.387 1.813 471 2HB ALA 978 HB2 ALA 978 3.299 -22.072 1.439 472 3HB ALA 978 HB3 ALA 978 3.735 -21.607 3.083 473 H SER 979 H SER 979 5.383 -19.421 0.480 474 HA SER 979 HA SER 979 6.655 -20.253 -1.931 475 1HB SER 979 HB1 SER 979 3.671 -20.236 -1.785 476 2HB SER 979 HB2 SER 979 4.446 -19.707 -3.285 477 HG SER 979 HG SER 979 5.163 -22.141 -2.017 478 H THR 980 H THR 980 4.563 -17.897 -0.357 479 HA THR 980 HA THR 980 4.447 -15.889 -2.227 480 HB THR 980 HB THR 980 4.582 -15.433 0.745 481 HG1 THR 980 HG1 THR 980 2.412 -15.984 0.735 482 1HG2 THR 980 1HG2 THR 980 3.063 -13.576 0.249 483 2HG2 THR 980 2HG2 THR 980 4.578 -13.395 -0.636 484 3HG2 THR 980 3HG2 THR 980 3.134 -13.967 -1.470 485 H HIS 981 H HIS 981 7.283 -16.688 -0.425 486 HA HIS 981 HA HIS 981 8.412 -14.287 0.181 487 1HB HIS 981 HB1 HIS 981 10.613 -15.366 0.060 488 2HB HIS 981 HB2 HIS 981 9.421 -16.386 0.851 489 HD1 HIS 981 HD1 HIS 981 9.040 -18.676 -0.111 490 HD2 HIS 981 HD2 HIS 981 11.359 -16.262 -2.579 491 HE1 HIS 981 HE1 HIS 981 9.891 -20.188 -1.932 492 HE2 HIS 981 HE2 HIS 981 11.136 -18.668 -3.510 493 H ARG 982 H ARG 982 8.038 -15.481 -3.075 494 HA ARG 982 HA ARG 982 10.117 -13.895 -4.219 495 1HB ARG 982 HB1 ARG 982 9.356 -15.708 -5.527 496 2HB ARG 982 HB2 ARG 982 7.670 -15.248 -5.343 497 1HG ARG 982 HG1 ARG 982 8.120 -13.239 -6.724 498 2HG ARG 982 HG2 ARG 982 9.761 -13.836 -6.987 499 1HD ARG 982 HD1 ARG 982 9.024 -15.666 -8.233 500 2HD ARG 982 HD2 ARG 982 7.378 -15.544 -7.608 501 HE ARG 982 HE ARG 982 8.236 -13.268 -9.161 502 1HH1 ARG 982 2HH1 ARG 982 6.827 -16.483 -9.369 503 2HH1 ARG 982 1HH1 ARG 982 5.883 -16.100 -10.773 504 1HH2 ARG 982 2HH2 ARG 982 7.021 -12.793 -11.013 505 2HH2 ARG 982 1HH2 ARG 982 5.992 -14.010 -11.718 506 H GLU 983 H GLU 983 6.552 -13.421 -4.222 507 HA GLU 983 HA GLU 983 6.819 -10.725 -5.124 508 1HB GLU 983 HB1 GLU 983 4.545 -12.418 -4.261 509 2HB GLU 983 HB2 GLU 983 4.334 -10.682 -4.230 510 1HG GLU 983 HG1 GLU 983 3.808 -10.770 -6.353 511 2HG GLU 983 HG2 GLU 983 5.489 -11.202 -6.693 512 H ILE 984 H ILE 984 6.259 -12.190 -1.972 513 HA ILE 984 HA ILE 984 5.347 -9.847 -0.739 514 HB ILE 984 HB ILE 984 5.038 -12.132 0.172 515 1HG1 ILE 984 1HG1 ILE 984 5.352 -11.507 2.553 516 2HG1 ILE 984 2HG1 ILE 984 6.338 -10.139 2.047 517 1HG2 ILE 984 1HG2 ILE 984 6.816 -13.142 1.507 518 2HG2 ILE 984 2HG2 ILE 984 7.287 -12.982 -0.186 519 3HG2 ILE 984 3HG2 ILE 984 7.920 -11.857 1.017 520 1HD1 ILE 984 1HD1 ILE 984 4.415 -9.202 0.873 521 2HD1 ILE 984 2HD1 ILE 984 3.433 -10.565 1.409 522 3HD1 ILE 984 3HD1 ILE 984 4.095 -9.437 2.591 523 H GLU 985 H GLU 985 8.575 -11.049 -1.350 524 HA GLU 985 HA GLU 985 9.867 -9.042 0.219 525 1HB GLU 985 HB1 GLU 985 10.848 -10.903 -1.932 526 2HB GLU 985 HB2 GLU 985 11.885 -9.673 -1.224 527 1HG GLU 985 HG1 GLU 985 11.438 -10.668 1.008 528 2HG GLU 985 HG2 GLU 985 10.556 -11.966 0.201 529 H MET 986 H MET 986 8.929 -9.325 -3.205 530 HA MET 986 HA MET 986 10.471 -7.120 -4.063 531 1HB MET 986 HB1 MET 986 9.356 -7.240 -6.165 532 2HB MET 986 HB2 MET 986 9.582 -8.883 -5.590 533 1HG MET 986 HG1 MET 986 7.288 -9.078 -5.011 534 2HG MET 986 HG2 MET 986 7.007 -7.360 -5.292 535 1HE MET 986 HE1 MET 986 7.784 -10.837 -6.917 536 2HE MET 986 HE2 MET 986 7.924 -10.422 -8.626 537 3HE MET 986 HE3 MET 986 9.139 -9.859 -7.479 538 H ALA 987 H ALA 987 6.980 -7.263 -3.302 539 HA ALA 987 HA ALA 987 6.625 -4.518 -3.913 540 1HB ALA 987 HB1 ALA 987 4.332 -4.820 -3.253 541 2HB ALA 987 HB2 ALA 987 4.841 -6.180 -4.255 542 3HB ALA 987 HB3 ALA 987 4.716 -6.371 -2.506 543 H GLN 988 H GLN 988 7.042 -6.384 -0.904 544 HA GLN 988 HA GLN 988 6.335 -4.329 0.851 545 1HB GLN 988 HB1 GLN 988 8.283 -6.600 1.104 546 2HB GLN 988 HB2 GLN 988 8.194 -5.382 2.366 547 1HG GLN 988 HG1 GLN 988 5.739 -5.901 2.528 548 2HG GLN 988 HG2 GLN 988 6.052 -7.281 1.471 549 1HE2 GLN 988 2HE2 GLN 988 7.449 -8.931 2.209 550 2HE2 GLN 988 1HE2 GLN 988 7.708 -9.184 3.901 551 H LYS 989 H LYS 989 9.596 -5.169 -0.337 552 HA LYS 989 HA LYS 989 10.972 -2.973 0.718 553 1HB LYS 989 HB1 LYS 989 12.046 -4.965 -0.267 554 2HB LYS 989 HB2 LYS 989 11.485 -4.479 -1.857 555 1HG LYS 989 HG1 LYS 989 12.851 -2.430 -1.668 556 2HG LYS 989 HG2 LYS 989 13.473 -3.028 -0.128 557 1HD LYS 989 HD1 LYS 989 13.750 -4.389 -2.810 558 2HD LYS 989 HD2 LYS 989 15.027 -3.535 -1.942 559 1HE LYS 989 HE1 LYS 989 14.994 -5.155 -0.175 560 2HE LYS 989 HE2 LYS 989 13.558 -5.929 -0.844 561 1HZ LYS 989 HZ1 LYS 989 14.836 -6.622 -2.753 562 2HZ LYS 989 HZ2 LYS 989 16.214 -5.821 -2.175 563 3HZ LYS 989 HZ3 LYS 989 15.598 -7.157 -1.336 564 H LEU 990 H LEU 990 9.125 -3.425 -2.185 565 HA LEU 990 HA LEU 990 9.697 -1.051 -3.541 566 1HB LEU 990 HB1 LEU 990 8.671 -2.739 -4.761 567 2HB LEU 990 HB2 LEU 990 7.475 -3.050 -3.522 568 HG LEU 990 HG LEU 990 6.355 -0.946 -4.113 569 1HD1 LEU 990 1HD1 LEU 990 8.265 0.258 -5.060 570 2HD1 LEU 990 2HD1 LEU 990 8.359 -0.907 -6.382 571 3HD1 LEU 990 3HD1 LEU 990 6.959 0.155 -6.240 572 1HD2 LEU 990 1HD2 LEU 990 5.398 -1.746 -6.210 573 2HD2 LEU 990 2HD2 LEU 990 6.741 -2.877 -6.387 574 3HD2 LEU 990 3HD2 LEU 990 5.610 -3.052 -5.044 575 H LEU 991 H LEU 991 6.826 -1.801 -1.499 576 HA LEU 991 HA LEU 991 5.903 0.893 -1.724 577 1HB LEU 991 HB1 LEU 991 4.222 0.100 0.053 578 2HB LEU 991 HB2 LEU 991 4.141 -0.554 -1.567 579 HG LEU 991 HG LEU 991 5.440 -2.552 -0.687 580 1HD1 LEU 991 1HD1 LEU 991 4.646 -1.346 1.958 581 2HD1 LEU 991 2HD1 LEU 991 5.266 -2.981 1.717 582 3HD1 LEU 991 3HD1 LEU 991 6.290 -1.588 1.369 583 1HD2 LEU 991 1HD2 LEU 991 2.701 -1.985 0.426 584 2HD2 LEU 991 2HD2 LEU 991 3.062 -2.587 -1.193 585 3HD2 LEU 991 3HD2 LEU 991 3.429 -3.578 0.220 586 H ASN 992 H ASN 992 7.937 -0.747 0.541 587 HA ASN 992 HA ASN 992 7.537 0.981 2.748 588 1HB ASN 992 HB1 ASN 992 8.741 -1.212 2.864 589 2HB ASN 992 HB2 ASN 992 10.065 -0.494 1.955 590 1HD2 ASN 992 2HD2 ASN 992 8.500 -0.733 5.020 591 2HD2 ASN 992 1HD2 ASN 992 9.670 0.160 5.922 592 H SER 993 H SER 993 9.444 1.082 -0.159 593 HA SER 993 HA SER 993 10.998 3.359 0.591 594 1HB SER 993 HB1 SER 993 10.548 2.135 -2.139 595 2HB SER 993 HB2 SER 993 11.830 3.266 -1.705 596 HG SER 993 HG SER 993 11.472 0.575 -0.880 597 H ASP 994 H ASP 994 7.944 2.896 -1.151 598 HA ASP 994 HA ASP 994 8.129 5.652 -2.132 599 1HB ASP 994 HB1 ASP 994 7.326 3.487 -3.492 600 2HB ASP 994 HB2 ASP 994 5.769 4.032 -2.874 601 H LEU 995 H LEU 995 6.091 3.629 -0.024 602 HA LEU 995 HA LEU 995 4.299 5.678 0.691 603 1HB LEU 995 HB1 LEU 995 3.876 3.428 1.477 604 2HB LEU 995 HB2 LEU 995 5.404 3.379 2.328 605 HG LEU 995 HG LEU 995 3.227 3.634 3.673 606 1HD1 LEU 995 1HD1 LEU 995 5.430 3.858 4.667 607 2HD1 LEU 995 2HD1 LEU 995 5.507 5.544 4.155 608 3HD1 LEU 995 3HD1 LEU 995 4.312 5.039 5.351 609 1HD2 LEU 995 1HD2 LEU 995 2.141 5.367 2.448 610 2HD2 LEU 995 2HD2 LEU 995 2.573 6.017 4.029 611 3HD2 LEU 995 3HD2 LEU 995 3.535 6.436 2.616 612 H ALA 996 H ALA 996 7.592 4.950 1.704 613 HA ALA 996 HA ALA 996 7.806 7.076 3.573 614 1HB ALA 996 HB1 ALA 996 10.022 5.775 1.995 615 2HB ALA 996 HB2 ALA 996 10.201 6.737 3.464 616 3HB ALA 996 HB3 ALA 996 9.376 5.180 3.526 617 H GLU 997 H GLU 997 8.713 6.846 0.130 618 HA GLU 997 HA GLU 997 9.481 9.430 -0.297 619 1HB GLU 997 HB1 GLU 997 7.843 7.611 -2.051 620 2HB GLU 997 HB2 GLU 997 8.396 9.192 -2.592 621 1HG GLU 997 HG1 GLU 997 10.278 7.139 -1.507 622 2HG GLU 997 HG2 GLU 997 9.807 7.169 -3.208 623 H LEU 998 H LEU 998 6.141 8.254 -0.130 624 HA LEU 998 HA LEU 998 5.047 10.834 -0.655 625 1HB LEU 998 HB1 LEU 998 3.984 8.217 0.230 626 2HB LEU 998 HB2 LEU 998 3.030 9.634 0.629 627 HG LEU 998 HG LEU 998 2.287 8.618 -1.460 628 1HD1 LEU 998 1HD1 LEU 998 3.638 11.284 -1.853 629 2HD1 LEU 998 2HD1 LEU 998 2.338 10.625 -2.846 630 3HD1 LEU 998 3HD1 LEU 998 2.039 11.023 -1.154 631 1HD2 LEU 998 1HD2 LEU 998 4.386 7.634 -2.183 632 2HD2 LEU 998 2HD2 LEU 998 3.728 8.679 -3.442 633 3HD2 LEU 998 3HD2 LEU 998 5.069 9.239 -2.442 634 H ILE 999 H ILE 999 6.116 9.130 2.158 635 HA ILE 999 HA ILE 999 5.078 10.849 4.144 636 HB ILE 999 HB ILE 999 7.585 9.173 4.115 637 1HG1 ILE 999 1HG1 ILE 999 4.943 8.913 5.566 638 2HG1 ILE 999 2HG1 ILE 999 5.465 7.959 4.180 639 1HG2 ILE 999 1HG2 ILE 999 8.005 11.074 5.584 640 2HG2 ILE 999 2HG2 ILE 999 6.494 10.762 6.438 641 3HG2 ILE 999 3HG2 ILE 999 7.811 9.592 6.518 642 1HD1 ILE 999 1HD1 ILE 999 5.685 6.713 6.249 643 2HD1 ILE 999 2HD1 ILE 999 7.264 7.000 5.517 644 3HD1 ILE 999 3HD1 ILE 999 6.745 7.960 6.903 645 H ASN1000 H ASN1000 8.164 11.002 2.361 646 HA ASN1000 HA ASN1000 8.773 13.574 3.537 647 1HB ASN1000 HB1 ASN1000 10.862 13.364 2.571 648 2HB ASN1000 HB2 ASN1000 10.375 11.677 2.688 649 1HD2 ASN1000 2HD2 ASN1000 10.340 10.471 0.976 650 2HD2 ASN1000 1HD2 ASN1000 10.593 11.008 -0.650 651 H LYS1001 H LYS1001 6.939 12.518 0.877 652 HA LYS1001 HA LYS1001 7.207 15.056 -0.480 653 1HB LYS1001 HB1 LYS1001 5.587 12.615 -1.137 654 2HB LYS1001 HB2 LYS1001 5.449 14.121 -2.043 655 1HG LYS1001 HG1 LYS1001 7.866 14.029 -2.522 656 2HG LYS1001 HG2 LYS1001 7.955 12.487 -1.675 657 1HD LYS1001 HD1 LYS1001 6.217 11.654 -3.323 658 2HD LYS1001 HD2 LYS1001 6.528 13.130 -4.238 659 1HE LYS1001 HE1 LYS1001 8.606 11.067 -3.493 660 2HE LYS1001 HE2 LYS1001 7.830 11.206 -5.068 661 1HZ LYS1001 HZ1 LYS1001 10.046 12.237 -4.980 662 2HZ LYS1001 HZ2 LYS1001 8.835 13.351 -5.381 663 3HZ LYS1001 HZ3 LYS1001 9.490 13.334 -3.813 664 H MET1002 H MET1002 4.987 13.531 1.750 665 HA MET1002 HA MET1002 3.064 15.663 1.657 666 1HB MET1002 HB1 MET1002 2.131 14.701 3.641 667 2HB MET1002 HB2 MET1002 2.648 13.349 2.644 668 1HG MET1002 HG1 MET1002 4.767 13.316 4.023 669 2HG MET1002 HG2 MET1002 3.963 14.440 5.114 670 1HE MET1002 HE1 MET1002 5.123 11.775 6.277 671 2HE MET1002 HE2 MET1002 4.194 12.951 7.204 672 3HE MET1002 HE3 MET1002 3.768 11.241 7.272 673 H LYS1003 H LYS1003 5.960 14.834 3.326 674 HA LYS1003 HA LYS1003 6.161 17.162 4.940 675 1HB LYS1003 HB1 LYS1003 7.312 15.063 5.501 676 2HB LYS1003 HB2 LYS1003 8.257 15.178 4.025 677 1HG LYS1003 HG1 LYS1003 9.404 17.105 4.828 678 2HG LYS1003 HG2 LYS1003 8.344 17.218 6.234 679 1HD LYS1003 HD1 LYS1003 10.459 16.248 6.886 680 2HD LYS1003 HD2 LYS1003 9.193 15.025 7.000 681 1HE LYS1003 HE1 LYS1003 9.886 14.110 4.843 682 2HE LYS1003 HE2 LYS1003 11.138 15.343 4.719 683 1HZ LYS1003 HZ1 LYS1003 12.124 13.336 5.503 684 2HZ LYS1003 HZ2 LYS1003 12.098 14.438 6.793 685 3HZ LYS1003 HZ3 LYS1003 10.970 13.173 6.737 686 H LEU1004 H LEU1004 6.451 16.562 1.706 687 HA LEU1004 HA LEU1004 8.660 18.425 1.140 688 1HB LEU1004 HB1 LEU1004 8.518 16.298 -0.139 689 2HB LEU1004 HB2 LEU1004 7.016 16.863 -0.850 690 HG LEU1004 HG LEU1004 8.283 18.789 -1.819 691 1HD1 LEU1004 1HD1 LEU1004 10.720 18.612 -1.939 692 2HD1 LEU1004 2HD1 LEU1004 10.161 18.806 -0.278 693 3HD1 LEU1004 3HD1 LEU1004 10.668 17.219 -0.859 694 1HD2 LEU1004 1HD2 LEU1004 9.327 17.468 -3.601 695 2HD2 LEU1004 2HD2 LEU1004 9.193 16.023 -2.599 696 3HD2 LEU1004 3HD2 LEU1004 7.737 16.842 -3.165 697 H ALA1005 H ALA1005 5.292 17.987 0.059 698 HA ALA1005 HA ALA1005 5.015 20.511 -1.130 699 1HB ALA1005 HB1 ALA1005 3.432 18.666 -1.478 700 2HB ALA1005 HB2 ALA1005 2.877 18.837 0.187 701 3HB ALA1005 HB3 ALA1005 2.612 20.143 -0.968 702 H GLN1006 H GLN1006 4.518 19.380 2.145 703 HA GLN1006 HA GLN1006 3.634 21.903 3.156 704 1HB GLN1006 HB1 GLN1006 3.097 20.703 4.985 705 2HB GLN1006 HB2 GLN1006 3.499 19.297 4.011 706 1HG GLN1006 HG1 GLN1006 4.702 18.836 5.871 707 2HG GLN1006 HG2 GLN1006 5.910 19.751 4.971 708 1HE2 GLN1006 2HE2 GLN1006 6.980 20.374 6.857 709 2HE2 GLN1006 1HE2 GLN1006 6.336 21.572 7.924 710 H GLN1007 H GLN1007 6.695 20.379 2.595 711 HA GLN1007 HA GLN1007 8.293 21.985 4.302 712 1HB GLN1007 HB1 GLN1007 8.784 19.758 2.914 713 2HB GLN1007 HB2 GLN1007 9.349 20.921 1.728 714 1HG GLN1007 HG1 GLN1007 11.118 19.982 3.175 715 2HG GLN1007 HG2 GLN1007 11.014 21.748 3.237 716 1HE2 GLN1007 2HE2 GLN1007 8.711 19.677 4.839 717 2HE2 GLN1007 1HE2 GLN1007 9.232 20.023 6.458 718 H TYR1008 H TYR1008 7.323 22.174 0.934 719 HA TYR1008 HA TYR1008 8.688 24.596 0.336 720 1HB TYR1008 HB1 TYR1008 7.573 22.735 -1.200 721 2HB TYR1008 HB2 TYR1008 6.178 23.798 -1.083 722 HD1 TYR1008 HD1 TYR1008 6.705 23.587 -3.671 723 HD2 TYR1008 HD2 TYR1008 9.052 25.796 -0.888 724 HE1 TYR1008 HE1 TYR1008 7.632 24.926 -5.519 725 HE2 TYR1008 HE2 TYR1008 9.978 27.139 -2.726 726 HH TYR1008 HH TYR1008 8.693 27.031 -5.912 727 H VAL1009 H VAL1009 5.238 23.898 0.673 728 HA VAL1009 HA VAL1009 3.441 25.215 1.067 729 HB VAL1009 HB VAL1009 4.208 24.421 3.277 730 1HG1 VAL1009 1HG1 VAL1009 5.431 27.162 3.556 731 2HG1 VAL1009 2HG1 VAL1009 5.241 25.987 4.857 732 3HG1 VAL1009 3HG1 VAL1009 6.299 25.629 3.491 733 1HG2 VAL1009 1HG2 VAL1009 2.070 25.518 3.079 734 2HG2 VAL1009 2HG2 VAL1009 2.825 25.948 4.615 735 3HG2 VAL1009 3HG2 VAL1009 2.829 27.099 3.278 736 H MET1010 H MET1010 5.321 26.546 -0.631 737 HA MET1010 HA MET1010 4.939 29.360 0.043 738 1HB MET1010 HB1 MET1010 7.081 28.527 -0.987 739 2HB MET1010 HB2 MET1010 6.173 28.128 -2.434 740 1HG MET1010 HG1 MET1010 7.129 30.159 -2.954 741 2HG MET1010 HG2 MET1010 5.506 30.611 -2.444 742 1HE MET1010 HE1 MET1010 4.944 32.003 -0.317 743 2HE MET1010 HE2 MET1010 5.481 30.638 0.662 744 3HE MET1010 HE3 MET1010 6.067 32.265 1.017 745 H THR1011 H THR1011 2.847 29.936 -0.243 746 HA THR1011 HA THR1011 0.842 28.499 -1.186 747 HB THR1011 HB THR1011 0.411 30.543 -0.042 748 HG1 THR1011 HG1 THR1011 -1.121 31.486 -1.825 749 1HG2 THR1011 1HG2 THR1011 0.549 32.737 -1.176 750 2HG2 THR1011 2HG2 THR1011 2.124 31.976 -0.952 751 3HG2 THR1011 3HG2 THR1011 1.352 31.953 -2.537 752 H SER1012 H SER1012 2.585 30.705 -3.442 753 HA SER1012 HA SER1012 0.832 29.925 -5.598 754 1HB SER1012 HB1 SER1012 3.387 31.543 -5.671 755 2HB SER1012 HB2 SER1012 2.207 31.407 -6.976 756 HG SER1012 HG SER1012 0.710 32.474 -5.712 757 H LEU1013 H LEU1013 4.183 29.230 -4.677 758 HA LEU1013 HA LEU1013 4.611 27.649 -7.074 759 1HB LEU1013 HB1 LEU1013 6.365 28.358 -4.732 760 2HB LEU1013 HB2 LEU1013 6.870 27.214 -5.957 761 HG LEU1013 HG LEU1013 7.869 29.299 -6.481 762 1HD1 LEU1013 1HD1 LEU1013 7.026 28.050 -8.387 763 2HD1 LEU1013 2HD1 LEU1013 5.487 28.904 -8.280 764 3HD1 LEU1013 3HD1 LEU1013 6.959 29.787 -8.685 765 1HD2 LEU1013 1HD2 LEU1013 6.591 31.360 -6.829 766 2HD2 LEU1013 2HD2 LEU1013 5.123 30.533 -6.307 767 3HD2 LEU1013 3HD2 LEU1013 6.450 30.772 -5.171 768 H GLN1014 H GLN1014 3.225 27.110 -4.126 769 HA GLN1014 HA GLN1014 4.273 24.671 -3.248 770 1HB GLN1014 HB1 GLN1014 2.774 26.220 -1.974 771 2HB GLN1014 HB2 GLN1014 1.432 25.652 -2.953 772 1HG GLN1014 HG1 GLN1014 2.981 23.564 -1.575 773 2HG GLN1014 HG2 GLN1014 2.060 24.657 -0.543 774 1HE2 GLN1014 2HE2 GLN1014 1.901 22.151 -2.922 775 2HE2 GLN1014 1HE2 GLN1014 0.197 21.877 -2.808 776 H GLN1015 H GLN1015 1.914 25.395 -5.718 777 HA GLN1015 HA GLN1015 0.687 22.895 -5.944 778 1HB GLN1015 HB1 GLN1015 0.100 23.589 -8.259 779 2HB GLN1015 HB2 GLN1015 -0.302 24.776 -7.028 780 1HG GLN1015 HG1 GLN1015 1.715 26.042 -7.617 781 2HG GLN1015 HG2 GLN1015 2.070 24.862 -8.878 782 1HE2 GLN1015 2HE2 GLN1015 1.953 26.414 -10.491 783 2HE2 GLN1015 1HE2 GLN1015 0.439 27.088 -11.014 784 H GLU1016 H GLU1016 3.630 24.105 -7.545 785 HA GLU1016 HA GLU1016 4.334 22.016 -9.112 786 1HB GLU1016 HB1 GLU1016 5.723 24.004 -8.858 787 2HB GLU1016 HB2 GLU1016 6.147 23.524 -7.221 788 1HG GLU1016 HG1 GLU1016 7.220 21.490 -8.154 789 2HG GLU1016 HG2 GLU1016 6.898 22.117 -9.769 790 H TYR1017 H TYR1017 4.564 22.099 -5.585 791 HA TYR1017 HA TYR1017 5.831 19.493 -5.543 792 1HB TYR1017 HB1 TYR1017 5.132 21.511 -3.432 793 2HB TYR1017 HB2 TYR1017 5.511 19.853 -2.978 794 HD1 TYR1017 HD1 TYR1017 7.449 20.835 -1.682 795 HD2 TYR1017 HD2 TYR1017 7.165 21.093 -5.927 796 HE1 TYR1017 HE1 TYR1017 9.852 21.348 -1.819 797 HE2 TYR1017 HE2 TYR1017 9.557 21.606 -6.063 798 HH TYR1017 HH TYR1017 11.321 22.489 -4.713 799 H LYS1018 H LYS1018 2.666 20.851 -5.240 800 HA LYS1018 HA LYS1018 1.411 18.575 -4.085 801 1HB LYS1018 HB1 LYS1018 0.276 20.728 -4.097 802 2HB LYS1018 HB2 LYS1018 0.278 20.748 -5.857 803 1HG LYS1018 HG1 LYS1018 -1.086 18.609 -5.731 804 2HG LYS1018 HG2 LYS1018 -1.302 18.978 -4.019 805 1HD LYS1018 HD1 LYS1018 -2.399 21.033 -4.527 806 2HD LYS1018 HD2 LYS1018 -1.979 20.897 -6.236 807 1HE LYS1018 HE1 LYS1018 -3.367 18.846 -6.361 808 2HE LYS1018 HE2 LYS1018 -3.853 19.115 -4.687 809 1HZ LYS1018 HZ1 LYS1018 -4.897 21.156 -5.302 810 2HZ LYS1018 HZ2 LYS1018 -4.307 21.061 -6.884 811 3HZ LYS1018 HZ3 LYS1018 -5.467 19.948 -6.341 812 H LYS1019 H LYS1019 1.941 19.651 -7.417 813 HA LYS1019 HA LYS1019 0.512 17.665 -8.754 814 1HB LYS1019 HB1 LYS1019 1.435 19.691 -9.826 815 2HB LYS1019 HB2 LYS1019 3.058 19.053 -9.625 816 1HG LYS1019 HG1 LYS1019 2.353 17.105 -11.060 817 2HG LYS1019 HG2 LYS1019 0.874 18.003 -11.404 818 1HD LYS1019 HD1 LYS1019 3.686 18.946 -11.962 819 2HD LYS1019 HD2 LYS1019 2.549 18.329 -13.159 820 1HE LYS1019 HE1 LYS1019 1.041 20.181 -12.710 821 2HE LYS1019 HE2 LYS1019 2.128 20.783 -11.458 822 1HZ LYS1019 HZ1 LYS1019 2.454 22.016 -13.479 823 2HZ LYS1019 HZ2 LYS1019 3.833 21.076 -13.182 824 3HZ LYS1019 HZ3 LYS1019 2.718 20.594 -14.364 825 H GLN1020 H GLN1020 4.023 17.785 -8.246 826 HA GLN1020 HA GLN1020 4.635 15.195 -8.948 827 1HB GLN1020 HB1 GLN1020 5.975 16.891 -6.837 828 2HB GLN1020 HB2 GLN1020 6.689 15.490 -7.630 829 1HG GLN1020 HG1 GLN1020 6.567 16.634 -9.778 830 2HG GLN1020 HG2 GLN1020 5.823 18.029 -8.998 831 1HE2 GLN1020 2HE2 GLN1020 7.079 19.379 -7.734 832 2HE2 GLN1020 1HE2 GLN1020 8.812 19.359 -7.796 833 H MET1021 H MET1021 3.488 16.390 -5.832 834 HA MET1021 HA MET1021 3.907 14.014 -4.368 835 1HB MET1021 HB1 MET1021 3.520 16.137 -3.261 836 2HB MET1021 HB2 MET1021 1.917 16.250 -3.969 837 1HG MET1021 HG1 MET1021 1.181 14.342 -2.668 838 2HG MET1021 HG2 MET1021 2.801 14.156 -1.997 839 1HE MET1021 HE1 MET1021 1.185 17.621 -2.747 840 2HE MET1021 HE2 MET1021 -0.239 16.669 -2.327 841 3HE MET1021 HE3 MET1021 0.304 17.965 -1.260 842 H LEU1022 H LEU1022 1.127 15.202 -6.222 843 HA LEU1022 HA LEU1022 -0.610 13.066 -5.577 844 1HB LEU1022 HB1 LEU1022 -1.383 15.203 -6.513 845 2HB LEU1022 HB2 LEU1022 -0.575 14.834 -8.023 846 HG LEU1022 HG LEU1022 -2.076 12.879 -8.316 847 1HD1 LEU1022 1HD1 LEU1022 -4.077 12.705 -6.919 848 2HD1 LEU1022 2HD1 LEU1022 -2.602 12.453 -5.984 849 3HD1 LEU1022 3HD1 LEU1022 -3.461 13.990 -5.880 850 1HD2 LEU1022 1HD2 LEU1022 -2.599 15.004 -9.382 851 2HD2 LEU1022 2HD2 LEU1022 -4.072 14.168 -8.891 852 3HD2 LEU1022 3HD2 LEU1022 -3.469 15.527 -7.940 853 H THR1023 H THR1023 1.672 13.580 -8.223 854 HA THR1023 HA THR1023 1.038 11.241 -9.692 855 HB THR1023 HB THR1023 3.779 12.506 -9.623 856 HG1 THR1023 HG1 THR1023 2.047 14.125 -9.843 857 1HG2 THR1023 1HG2 THR1023 2.159 11.206 -11.818 858 2HG2 THR1023 2HG2 THR1023 3.763 11.912 -12.015 859 3HG2 THR1023 3HG2 THR1023 3.542 10.497 -10.984 860 H ALA1024 H ALA1024 2.935 11.881 -6.919 861 HA ALA1024 HA ALA1024 4.487 9.436 -7.013 862 1HB ALA1024 HB1 ALA1024 4.207 11.488 -4.824 863 2HB ALA1024 HB2 ALA1024 5.353 10.147 -4.833 864 3HB ALA1024 HB3 ALA1024 5.481 11.428 -6.039 865 H ALA1025 H ALA1025 1.743 10.747 -5.228 866 HA ALA1025 HA ALA1025 1.295 8.588 -3.502 867 1HB ALA1025 HB1 ALA1025 -0.734 10.454 -4.731 868 2HB ALA1025 HB2 ALA1025 -0.986 9.439 -3.311 869 3HB ALA1025 HB3 ALA1025 0.188 10.754 -3.258 870 H HIS1026 H HIS1026 0.442 9.089 -6.868 871 HA HIS1026 HA HIS1026 -1.221 6.828 -7.123 872 1HB HIS1026 HB1 HIS1026 -1.165 8.553 -8.856 873 2HB HIS1026 HB2 HIS1026 0.523 8.186 -9.196 874 HD1 HIS1026 HD1 HIS1026 0.628 7.062 -11.392 875 HD2 HIS1026 HD2 HIS1026 -2.613 5.745 -9.141 876 HE1 HIS1026 HE1 HIS1026 -0.500 5.305 -12.790 877 HE2 HIS1026 HE2 HIS1026 -2.568 4.670 -11.495 878 H ALA1027 H ALA1027 2.261 7.278 -7.304 879 HA ALA1027 HA ALA1027 2.867 4.673 -8.224 880 1HB ALA1027 HB1 ALA1027 5.148 5.159 -7.558 881 2HB ALA1027 HB2 ALA1027 4.436 6.540 -8.392 882 3HB ALA1027 HB3 ALA1027 4.599 6.559 -6.637 883 H LEU1028 H LEU1028 2.776 6.077 -4.940 884 HA LEU1028 HA LEU1028 3.521 3.637 -3.695 885 1HB LEU1028 HB1 LEU1028 3.781 4.951 -1.941 886 2HB LEU1028 HB2 LEU1028 3.090 6.293 -2.804 887 HG LEU1028 HG LEU1028 1.453 4.340 -1.153 888 1HD1 LEU1028 1HD1 LEU1028 2.592 7.018 -0.399 889 2HD1 LEU1028 2HD1 LEU1028 1.448 6.078 0.560 890 3HD1 LEU1028 3HD1 LEU1028 3.070 5.454 0.259 891 1HD2 LEU1028 1HD2 LEU1028 0.144 5.587 -2.799 892 2HD2 LEU1028 2HD2 LEU1028 -0.202 6.157 -1.168 893 3HD2 LEU1028 3HD2 LEU1028 0.845 7.100 -2.227 894 H ALA1029 H ALA1029 0.398 5.063 -4.504 895 HA ALA1029 HA ALA1029 -1.267 3.066 -3.535 896 1HB ALA1029 HB1 ALA1029 -2.871 3.737 -5.232 897 2HB ALA1029 HB2 ALA1029 -2.079 5.152 -4.538 898 3HB ALA1029 HB3 ALA1029 -1.599 4.566 -6.130 899 H VAL1030 H VAL1030 0.761 3.053 -6.395 900 HA VAL1030 HA VAL1030 -0.296 0.573 -7.408 901 HB VAL1030 HB VAL1030 2.261 2.018 -8.139 902 1HG1 VAL1030 1HG1 VAL1030 0.880 -0.261 -9.549 903 2HG1 VAL1030 2HG1 VAL1030 2.305 0.603 -10.123 904 3HG1 VAL1030 3HG1 VAL1030 2.399 -0.371 -8.656 905 1HG2 VAL1030 1HG2 VAL1030 0.304 3.322 -8.702 906 2HG2 VAL1030 2HG2 VAL1030 1.012 2.657 -10.174 907 3HG2 VAL1030 3HG2 VAL1030 -0.437 1.925 -9.485 908 H ASP1031 H ASP1031 2.374 1.569 -5.403 909 HA ASP1031 HA ASP1031 3.638 -0.891 -5.046 910 1HB ASP1031 HB1 ASP1031 3.264 1.467 -3.207 911 2HB ASP1031 HB2 ASP1031 4.226 0.063 -2.753 912 H ALA1032 H ALA1032 0.907 0.539 -3.264 913 HA ALA1032 HA ALA1032 0.219 -1.663 -1.657 914 1HB ALA1032 HB1 ALA1032 -2.035 -0.714 -1.641 915 2HB ALA1032 HB2 ALA1032 -0.814 0.541 -1.425 916 3HB ALA1032 HB3 ALA1032 -1.605 0.338 -2.988 917 H LYS1033 H LYS1033 -0.919 -0.750 -4.891 918 HA LYS1033 HA LYS1033 -2.638 -2.858 -5.387 919 1HB LYS1033 HB1 LYS1033 -2.251 -0.739 -6.755 920 2HB LYS1033 HB2 LYS1033 -0.904 -1.581 -7.503 921 1HG LYS1033 HG1 LYS1033 -3.660 -2.755 -7.527 922 2HG LYS1033 HG2 LYS1033 -3.172 -1.545 -8.711 923 1HD LYS1033 HD1 LYS1033 -1.308 -2.989 -9.397 924 2HD LYS1033 HD2 LYS1033 -1.826 -4.204 -8.226 925 1HE LYS1033 HE1 LYS1033 -2.613 -4.774 -10.458 926 2HE LYS1033 HE2 LYS1033 -3.968 -4.409 -9.395 927 1HZ LYS1033 HZ1 LYS1033 -4.222 -3.391 -11.579 928 2HZ LYS1033 HZ2 LYS1033 -4.118 -2.211 -10.369 929 3HZ LYS1033 HZ3 LYS1033 -2.782 -2.525 -11.362 930 H ASN1034 H ASN1034 0.881 -2.746 -5.828 931 HA ASN1034 HA ASN1034 0.991 -5.262 -7.164 932 1HB ASN1034 HB1 ASN1034 2.785 -3.497 -7.302 933 2HB ASN1034 HB2 ASN1034 3.261 -3.946 -5.665 934 1HD2 ASN1034 2HD2 ASN1034 5.282 -4.692 -6.257 935 2HD2 ASN1034 1HD2 ASN1034 5.519 -6.135 -7.169 936 H LEU1035 H LEU1035 1.251 -4.276 -3.788 937 HA LEU1035 HA LEU1035 2.194 -6.875 -2.913 938 1HB LEU1035 HB1 LEU1035 2.862 -4.967 -1.586 939 2HB LEU1035 HB2 LEU1035 1.183 -4.469 -1.369 940 HG LEU1035 HG LEU1035 0.888 -6.734 -0.165 941 1HD1 LEU1035 1HD1 LEU1035 3.884 -6.464 -0.034 942 2HD1 LEU1035 2HD1 LEU1035 2.906 -7.610 0.881 943 3HD1 LEU1035 3HD1 LEU1035 2.989 -7.729 -0.876 944 1HD2 LEU1035 1HD2 LEU1035 2.560 -4.551 1.067 945 2HD2 LEU1035 2HD2 LEU1035 0.798 -4.592 0.972 946 3HD2 LEU1035 3HD2 LEU1035 1.658 -5.782 1.950 947 H LEU1036 H LEU1036 -0.947 -5.308 -3.250 948 HA LEU1036 HA LEU1036 -2.350 -7.319 -1.803 949 1HB LEU1036 HB1 LEU1036 -4.402 -6.454 -2.773 950 2HB LEU1036 HB2 LEU1036 -3.408 -5.149 -2.168 951 HG LEU1036 HG LEU1036 -2.658 -4.919 -4.663 952 1HD1 LEU1036 1HD1 LEU1036 -3.754 -6.916 -5.512 953 2HD1 LEU1036 2HD1 LEU1036 -5.315 -6.310 -4.961 954 3HD1 LEU1036 3HD1 LEU1036 -4.447 -5.469 -6.244 955 1HD2 LEU1036 1HD2 LEU1036 -3.862 -3.235 -3.389 956 2HD2 LEU1036 2HD2 LEU1036 -4.499 -3.353 -5.030 957 3HD2 LEU1036 3HD2 LEU1036 -5.382 -4.078 -3.686 958 H ASP1037 H ASP1037 -1.102 -7.006 -4.980 959 HA ASP1037 HA ASP1037 -2.455 -9.351 -6.000 960 1HB ASP1037 HB1 ASP1037 -1.651 -7.558 -7.533 961 2HB ASP1037 HB2 ASP1037 0.006 -7.938 -7.072 962 H VAL1038 H VAL1038 0.647 -8.447 -4.706 963 HA VAL1038 HA VAL1038 2.067 -10.787 -4.710 964 HB VAL1038 HB VAL1038 1.897 -8.552 -2.707 965 1HG1 VAL1038 1HG1 VAL1038 3.783 -10.897 -2.603 966 2HG1 VAL1038 2HG1 VAL1038 3.907 -9.438 -1.620 967 3HG1 VAL1038 3HG1 VAL1038 2.522 -10.514 -1.432 968 1HG2 VAL1038 1HG2 VAL1038 4.013 -9.386 -4.682 969 2HG2 VAL1038 2HG2 VAL1038 2.899 -8.028 -4.848 970 3HG2 VAL1038 3HG2 VAL1038 4.122 -8.017 -3.577 971 H ILE1039 H ILE1039 -0.190 -9.726 -2.144 972 HA ILE1039 HA ILE1039 0.235 -12.293 -0.874 973 HB ILE1039 HB ILE1039 -0.839 -11.350 1.111 974 1HG1 ILE1039 1HG1 ILE1039 -0.929 -8.807 -0.521 975 2HG1 ILE1039 2HG1 ILE1039 -2.313 -9.698 0.109 976 1HG2 ILE1039 1HG2 ILE1039 1.428 -9.750 -0.056 977 2HG2 ILE1039 2HG2 ILE1039 0.987 -9.797 1.650 978 3HG2 ILE1039 3HG2 ILE1039 1.559 -11.259 0.846 979 1HD1 ILE1039 1HD1 ILE1039 -1.833 -7.750 1.470 980 2HD1 ILE1039 2HD1 ILE1039 -1.578 -9.232 2.389 981 3HD1 ILE1039 3HD1 ILE1039 -0.196 -8.337 1.757 982 H ASP1040 H ASP1040 -2.493 -10.488 -2.318 983 HA ASP1040 HA ASP1040 -4.435 -12.438 -1.880 984 1HB ASP1040 HB1 ASP1040 -5.182 -10.623 -3.172 985 2HB ASP1040 HB2 ASP1040 -3.840 -10.752 -4.303 986 H GLN1041 H GLN1041 -1.753 -12.391 -4.146 987 HA GLN1041 HA GLN1041 -2.288 -15.075 -5.034 988 1HB GLN1041 HB1 GLN1041 0.062 -13.270 -5.535 989 2HB GLN1041 HB2 GLN1041 -0.008 -14.937 -6.098 990 1HG GLN1041 HG1 GLN1041 -2.198 -14.298 -7.223 991 2HG GLN1041 HG2 GLN1041 -1.750 -12.625 -6.894 992 1HE2 GLN1041 2HE2 GLN1041 1.116 -13.200 -7.286 993 2HE2 GLN1041 1HE2 GLN1041 1.324 -13.346 -8.999 994 H ALA1042 H ALA1042 -0.363 -13.597 -2.495 995 HA ALA1042 HA ALA1042 1.157 -15.716 -1.674 996 1HB ALA1042 HB1 ALA1042 0.859 -14.934 0.623 997 2HB ALA1042 HB2 ALA1042 1.136 -13.594 -0.492 998 3HB ALA1042 HB3 ALA1042 -0.492 -13.929 0.099 999 H ARG1043 H ARG1043 -2.232 -15.121 -0.756 1000 HA ARG1043 HA ARG1043 -2.771 -17.566 0.433 1001 1HB ARG1043 HB1 ARG1043 -4.585 -15.867 -1.283 1002 2HB ARG1043 HB2 ARG1043 -5.135 -17.206 -0.283 1003 1HG ARG1043 HG1 ARG1043 -3.736 -14.742 0.730 1004 2HG ARG1043 HG2 ARG1043 -5.474 -15.044 0.804 1005 1HD ARG1043 HD1 ARG1043 -5.157 -16.911 2.242 1006 2HD ARG1043 HD2 ARG1043 -3.408 -16.844 2.037 1007 HE ARG1043 HE ARG1043 -3.789 -14.493 3.118 1008 1HH1 ARG1043 2HH1 ARG1043 -5.289 -17.538 3.964 1009 2HH1 ARG1043 1HH1 ARG1043 -5.599 -17.076 5.613 1010 1HH2 ARG1043 2HH2 ARG1043 -4.156 -13.890 5.312 1011 2HH2 ARG1043 1HH2 ARG1043 -4.937 -15.007 6.387 1012 H LEU1044 H LEU1044 -2.756 -16.725 -2.993 1013 HA LEU1044 HA LEU1044 -3.466 -19.309 -3.943 1014 1HB LEU1044 HB1 LEU1044 -3.625 -17.296 -5.307 1015 2HB LEU1044 HB2 LEU1044 -1.886 -17.125 -5.296 1016 HG LEU1044 HG LEU1044 -1.716 -19.286 -6.524 1017 1HD1 LEU1044 1HD1 LEU1044 -4.716 -19.035 -6.702 1018 2HD1 LEU1044 2HD1 LEU1044 -3.724 -20.201 -7.577 1019 3HD1 LEU1044 3HD1 LEU1044 -3.829 -20.276 -5.818 1020 1HD2 LEU1044 1HD2 LEU1044 -2.459 -18.389 -8.675 1021 2HD2 LEU1044 2HD2 LEU1044 -3.396 -17.153 -7.836 1022 3HD2 LEU1044 3HD2 LEU1044 -1.637 -17.163 -7.711 1023 H LYS1045 H LYS1045 -0.436 -17.881 -2.931 1024 HA LYS1045 HA LYS1045 1.306 -19.861 -3.979 1025 1HB LYS1045 HB1 LYS1045 1.646 -18.168 -1.486 1026 2HB LYS1045 HB2 LYS1045 2.920 -19.032 -2.325 1027 1HG LYS1045 HG1 LYS1045 1.361 -16.687 -3.334 1028 2HG LYS1045 HG2 LYS1045 3.060 -16.732 -2.861 1029 1HD LYS1045 HD1 LYS1045 3.682 -17.955 -4.745 1030 2HD LYS1045 HD2 LYS1045 2.037 -18.522 -5.040 1031 1HE LYS1045 HE1 LYS1045 2.755 -16.833 -6.679 1032 2HE LYS1045 HE2 LYS1045 1.363 -16.302 -5.732 1033 1HZ LYS1045 HZ1 LYS1045 3.000 -14.543 -5.975 1034 2HZ LYS1045 HZ2 LYS1045 2.855 -15.003 -4.350 1035 3HZ LYS1045 HZ3 LYS1045 4.188 -15.519 -5.257 1036 H MET1046 H MET1046 -0.387 -19.406 -0.971 1037 HA MET1046 HA MET1046 0.473 -21.698 0.391 1038 1HB MET1046 HB1 MET1046 -0.886 -19.794 1.324 1039 2HB MET1046 HB2 MET1046 -2.284 -20.472 0.498 1040 1HG MET1046 HG1 MET1046 -2.117 -22.494 1.805 1041 2HG MET1046 HG2 MET1046 -0.641 -21.901 2.569 1042 1HE MET1046 HE1 MET1046 -3.252 -21.799 5.488 1043 2HE MET1046 HE2 MET1046 -3.096 -23.004 4.209 1044 3HE MET1046 HE3 MET1046 -1.654 -22.353 4.987 1045 H ILE1047 H ILE1047 -2.313 -21.168 -1.739 1046 HA ILE1047 HA ILE1047 -3.197 -23.815 -1.931 1047 HB ILE1047 HB ILE1047 -3.283 -21.595 -3.986 1048 1HG1 ILE1047 1HG1 ILE1047 -4.460 -21.070 -1.899 1049 2HG1 ILE1047 2HG1 ILE1047 -5.599 -21.292 -3.222 1050 1HG2 ILE1047 1HG2 ILE1047 -4.820 -24.186 -3.941 1051 2HG2 ILE1047 2HG2 ILE1047 -5.072 -22.857 -5.072 1052 3HG2 ILE1047 3HG2 ILE1047 -3.549 -23.746 -5.082 1053 1HD1 ILE1047 1HD1 ILE1047 -6.106 -23.534 -2.412 1054 2HD1 ILE1047 2HD1 ILE1047 -4.952 -23.320 -1.096 1055 3HD1 ILE1047 3HD1 ILE1047 -6.400 -22.317 -1.171 1056 H SER1048 H SER1048 -0.930 -22.001 -3.981 1057 HA SER1048 HA SER1048 -0.256 -23.760 -5.911 1058 1HB SER1048 HB1 SER1048 1.637 -21.996 -4.337 1059 2HB SER1048 HB2 SER1048 2.053 -22.781 -5.863 1060 HG SER1048 HG SER1048 -0.117 -20.978 -5.489 1061 H GLN1049 H GLN1049 1.145 -23.855 -2.625 1062 HA GLN1049 HA GLN1049 2.621 -26.252 -3.408 1063 1HB GLN1049 HB1 GLN1049 3.846 -24.433 -2.305 1064 2HB GLN1049 HB2 GLN1049 2.819 -24.603 -0.890 1065 1HG GLN1049 HG1 GLN1049 3.704 -26.750 -0.402 1066 2HG GLN1049 HG2 GLN1049 4.543 -26.823 -1.951 1067 1HE2 GLN1049 2HE2 GLN1049 4.514 -25.405 1.232 1068 2HE2 GLN1049 1HE2 GLN1049 6.149 -24.832 1.198 1069 H SER1050 H SER1050 0.056 -25.273 -1.179 1070 HA SER1050 HA SER1050 0.179 -27.821 0.209 1071 1HB SER1050 HB1 SER1050 -1.868 -25.630 0.584 1072 2HB SER1050 HB2 SER1050 -1.432 -26.906 1.721 1073 HG SER1050 HG SER1050 -0.065 -24.561 1.043 1074 H ARG1051 H ARG1051 -1.783 -26.286 -2.249 1075 HA ARG1051 HA ARG1051 -3.205 -28.796 -2.665 1076 1HB ARG1051 HB1 ARG1051 -4.606 -27.467 -1.092 1077 2HB ARG1051 HB2 ARG1051 -4.674 -26.178 -2.282 1078 1HG ARG1051 HG1 ARG1051 -5.840 -27.649 -3.832 1079 2HG ARG1051 HG2 ARG1051 -5.755 -28.964 -2.657 1080 1HD ARG1051 HD1 ARG1051 -7.055 -27.597 -1.073 1081 2HD ARG1051 HD2 ARG1051 -7.178 -26.329 -2.293 1082 HE ARG1051 HE ARG1051 -8.329 -28.154 -3.665 1083 1HH1 ARG1051 2HH1 ARG1051 -8.488 -27.939 -0.174 1084 2HH1 ARG1051 1HH1 ARG1051 -10.043 -28.701 -0.072 1085 1HH2 ARG1051 2HH2 ARG1051 -10.373 -29.165 -3.537 1086 2HH2 ARG1051 1HH2 ARG1051 -11.106 -29.418 -1.974 1087 HA PRO1052 HA PRO1052 -1.506 -26.536 -6.376 1088 1HB PRO1052 HB1 PRO1052 -1.253 -29.335 -7.322 1089 2HB PRO1052 HB2 PRO1052 -0.062 -28.031 -7.335 1090 1HG PRO1052 HG1 PRO1052 0.142 -30.044 -5.604 1091 2HG PRO1052 HG2 PRO1052 0.542 -28.383 -5.123 1092 1HD PRO1052 HD1 PRO1052 -1.923 -29.982 -4.551 1093 2HD PRO1052 HD2 PRO1052 -1.020 -28.885 -3.486 1094 H HIS1053 H HIS1053 -2.625 -25.912 -8.112 1095 HA HIS1053 HA HIS1053 -4.609 -27.658 -9.313 1096 1HB HIS1053 HB1 HIS1053 -5.771 -26.375 -7.473 1097 2HB HIS1053 HB2 HIS1053 -5.395 -24.897 -8.353 1098 HD1 HIS1053 HD1 HIS1053 -7.595 -27.902 -8.418 1099 HD2 HIS1053 HD2 HIS1053 -6.935 -24.471 -10.672 1100 HE1 HIS1053 HE1 HIS1053 -9.523 -27.768 -10.027 1101 HE2 HIS1053 HE2 HIS1053 -8.968 -25.822 -11.533 Start of MODEL 5 1 1H ARG 920 H ARG 920 -7.509 -18.910 -3.961 2 HA ARG 920 HA ARG 920 -8.396 -19.578 -1.393 3 1HB ARG 920 HB1 ARG 920 -6.167 -18.759 -1.729 4 2HB ARG 920 HB2 ARG 920 -6.771 -17.228 -2.355 5 1HG ARG 920 HG1 ARG 920 -5.997 -16.959 -0.083 6 2HG ARG 920 HG2 ARG 920 -7.748 -16.726 -0.174 7 1HD ARG 920 HD1 ARG 920 -7.969 -19.163 0.502 8 2HD ARG 920 HD2 ARG 920 -6.240 -19.138 0.837 9 HE ARG 920 HE ARG 920 -8.076 -17.269 2.194 10 1HH1 ARG 920 2HH1 ARG 920 -5.690 -19.836 2.318 11 2HH1 ARG 920 1HH1 ARG 920 -5.495 -19.760 4.042 12 1HH2 ARG 920 2HH2 ARG 920 -7.817 -17.151 4.474 13 2HH2 ARG 920 1HH2 ARG 920 -6.720 -18.246 5.273 14 H SER 921 H SER 921 -9.443 -17.028 -3.543 15 HA SER 921 HA SER 921 -11.116 -15.497 -3.426 16 1HB SER 921 HB1 SER 921 -12.451 -17.209 -2.188 17 2HB SER 921 HB2 SER 921 -11.785 -16.592 -0.677 18 HG SER 921 HG SER 921 -12.821 -14.652 -1.022 19 H ASN 922 H ASN 922 -8.376 -15.278 -2.354 20 HA ASN 922 HA ASN 922 -7.002 -13.660 -1.555 21 1HB ASN 922 HB1 ASN 922 -8.709 -11.392 -1.994 22 2HB ASN 922 HB2 ASN 922 -7.260 -11.886 -2.861 23 1HD2 ASN 922 2HD2 ASN 922 -7.479 -13.522 -4.468 24 2HD2 ASN 922 1HD2 ASN 922 -8.937 -13.614 -5.403 25 H ASP 923 H ASP 923 -7.413 -14.499 0.528 26 HA ASP 923 HA ASP 923 -9.065 -13.668 2.513 27 1HB ASP 923 HB1 ASP 923 -7.277 -15.473 2.489 28 2HB ASP 923 HB2 ASP 923 -6.124 -14.212 2.894 29 H LYS 924 H LYS 924 -7.865 -12.590 4.583 30 HA LYS 924 HA LYS 924 -8.269 -9.919 4.515 31 1HB LYS 924 HB1 LYS 924 -7.662 -11.555 6.461 32 2HB LYS 924 HB2 LYS 924 -6.030 -10.955 6.211 33 1HG LYS 924 HG1 LYS 924 -8.192 -8.950 6.516 34 2HG LYS 924 HG2 LYS 924 -7.709 -9.860 7.947 35 1HD LYS 924 HD1 LYS 924 -5.427 -9.124 7.698 36 2HD LYS 924 HD2 LYS 924 -5.810 -8.329 6.171 37 1HE LYS 924 HE1 LYS 924 -5.660 -6.729 8.017 38 2HE LYS 924 HE2 LYS 924 -7.279 -6.773 7.323 39 1HZ LYS 924 HZ1 LYS 924 -6.457 -8.194 9.804 40 2HZ LYS 924 HZ2 LYS 924 -7.282 -6.712 9.758 41 3HZ LYS 924 HZ3 LYS 924 -8.027 -8.111 9.158 42 H VAL 925 H VAL 925 -5.435 -11.528 3.315 43 HA VAL 925 HA VAL 925 -3.657 -9.447 3.019 44 HB VAL 925 HB VAL 925 -2.873 -10.693 0.950 45 1HG1 VAL 925 1HG1 VAL 925 -3.171 -12.230 3.531 46 2HG1 VAL 925 2HG1 VAL 925 -1.997 -12.569 2.261 47 3HG1 VAL 925 3HG1 VAL 925 -1.909 -11.057 3.164 48 1HG2 VAL 925 1HG2 VAL 925 -5.021 -11.692 0.337 49 2HG2 VAL 925 2HG2 VAL 925 -3.790 -12.929 0.596 50 3HG2 VAL 925 3HG2 VAL 925 -5.014 -12.631 1.830 51 H TYR 926 H TYR 926 -6.348 -10.368 0.715 52 HA TYR 926 HA TYR 926 -5.503 -8.258 -1.108 53 1HB TYR 926 HB1 TYR 926 -6.582 -10.014 -2.196 54 2HB TYR 926 HB2 TYR 926 -7.810 -10.184 -0.950 55 HD1 TYR 926 HD1 TYR 926 -6.798 -8.315 -3.941 56 HD2 TYR 926 HD2 TYR 926 -9.805 -8.823 -0.968 57 HE1 TYR 926 HE1 TYR 926 -8.360 -6.991 -5.303 58 HE2 TYR 926 HE2 TYR 926 -11.375 -7.500 -2.324 59 HH TYR 926 HH TYR 926 -10.905 -6.807 -5.531 60 H GLU 927 H GLU 927 -7.637 -8.699 1.568 61 HA GLU 927 HA GLU 927 -9.426 -6.570 1.099 62 1HB GLU 927 HB1 GLU 927 -9.162 -8.693 2.899 63 2HB GLU 927 HB2 GLU 927 -9.131 -7.242 3.892 64 1HG GLU 927 HG1 GLU 927 -11.231 -7.660 1.804 65 2HG GLU 927 HG2 GLU 927 -11.382 -8.355 3.415 66 H ASN 928 H ASN 928 -6.703 -6.857 3.401 67 HA ASN 928 HA ASN 928 -7.002 -4.173 4.313 68 1HB ASN 928 HB1 ASN 928 -5.902 -6.160 5.528 69 2HB ASN 928 HB2 ASN 928 -4.473 -5.780 4.576 70 1HD2 ASN 928 2HD2 ASN 928 -4.998 -2.874 4.664 71 2HD2 ASN 928 1HD2 ASN 928 -4.597 -2.381 6.271 72 H VAL 929 H VAL 929 -4.817 -5.734 1.995 73 HA VAL 929 HA VAL 929 -3.263 -3.505 1.412 74 HB VAL 929 HB VAL 929 -2.845 -5.858 0.613 75 1HG1 VAL 929 1HG1 VAL 929 -5.030 -6.346 -0.284 76 2HG1 VAL 929 2HG1 VAL 929 -4.834 -5.089 -1.507 77 3HG1 VAL 929 3HG1 VAL 929 -3.797 -6.517 -1.533 78 1HG2 VAL 929 1HG2 VAL 929 -1.763 -5.131 -1.473 79 2HG2 VAL 929 2HG2 VAL 929 -2.675 -3.625 -1.404 80 3HG2 VAL 929 3HG2 VAL 929 -1.497 -3.997 -0.147 81 H THR 930 H THR 930 -6.459 -4.399 0.183 82 HA THR 930 HA THR 930 -6.676 -2.226 -1.647 83 HB THR 930 HB THR 930 -8.860 -3.763 -0.211 84 HG1 THR 930 HG1 THR 930 -7.801 -5.176 -1.523 85 1HG2 THR 930 1HG2 THR 930 -9.650 -1.590 -1.061 86 2HG2 THR 930 2HG2 THR 930 -9.032 -2.000 -2.661 87 3HG2 THR 930 3HG2 THR 930 -10.353 -2.937 -1.962 88 H GLY 931 H GLY 931 -7.397 -2.722 1.733 89 1HA GLY 931 HA1 GLY 931 -8.543 -0.275 2.403 90 2HA GLY 931 HA2 GLY 931 -7.569 -1.255 3.486 91 H LEU 932 H LEU 932 -5.169 -1.044 1.739 92 HA LEU 932 HA LEU 932 -4.086 1.386 2.725 93 1HB LEU 932 HB1 LEU 932 -2.848 -0.767 2.023 94 2HB LEU 932 HB2 LEU 932 -2.984 -0.163 0.384 95 HG LEU 932 HG LEU 932 -1.586 1.320 2.621 96 1HD1 LEU 932 1HD1 LEU 932 -0.410 -0.739 2.161 97 2HD1 LEU 932 2HD1 LEU 932 -0.443 -0.399 0.431 98 3HD1 LEU 932 3HD1 LEU 932 0.494 0.630 1.515 99 1HD2 LEU 932 1HD2 LEU 932 -2.384 2.769 0.826 100 2HD2 LEU 932 2HD2 LEU 932 -0.624 2.652 0.815 101 3HD2 LEU 932 3HD2 LEU 932 -1.574 1.750 -0.364 102 H VAL 933 H VAL 933 -5.179 0.334 -0.482 103 HA VAL 933 HA VAL 933 -4.814 2.763 -1.821 104 HB VAL 933 HB VAL 933 -7.064 0.820 -2.362 105 1HG1 VAL 933 1HG1 VAL 933 -7.169 2.922 -3.598 106 2HG1 VAL 933 2HG1 VAL 933 -5.524 2.665 -4.180 107 3HG1 VAL 933 3HG1 VAL 933 -6.814 1.567 -4.671 108 1HG2 VAL 933 1HG2 VAL 933 -5.512 -0.368 -3.845 109 2HG2 VAL 933 2HG2 VAL 933 -4.198 0.671 -3.295 110 3HG2 VAL 933 3HG2 VAL 933 -4.984 -0.431 -2.163 111 H LYS 934 H LYS 934 -7.549 1.567 0.079 112 HA LYS 934 HA LYS 934 -9.193 3.842 -0.331 113 1HB LYS 934 HB1 LYS 934 -9.267 1.967 2.041 114 2HB LYS 934 HB2 LYS 934 -10.566 2.997 1.469 115 1HG LYS 934 HG1 LYS 934 -9.426 0.628 -0.002 116 2HG LYS 934 HG2 LYS 934 -10.930 0.648 0.915 117 1HD LYS 934 HD1 LYS 934 -11.671 0.925 -1.265 118 2HD LYS 934 HD2 LYS 934 -11.584 2.589 -0.685 119 1HE LYS 934 HE1 LYS 934 -9.514 2.952 -1.808 120 2HE LYS 934 HE2 LYS 934 -9.357 1.240 -2.203 121 1HZ LYS 934 HZ1 LYS 934 -11.410 1.496 -3.567 122 2HZ LYS 934 HZ2 LYS 934 -11.330 3.167 -3.308 123 3HZ LYS 934 HZ3 LYS 934 -10.082 2.381 -4.139 124 H ALA 935 H ALA 935 -6.466 3.251 1.678 125 HA ALA 935 HA ALA 935 -7.044 5.449 3.449 126 1HB ALA 935 HB1 ALA 935 -4.494 3.905 3.080 127 2HB ALA 935 HB2 ALA 935 -4.839 5.053 4.373 128 3HB ALA 935 HB3 ALA 935 -5.759 3.552 4.256 129 H VAL 936 H VAL 936 -5.345 4.951 0.429 130 HA VAL 936 HA VAL 936 -4.384 7.664 0.559 131 HB VAL 936 HB VAL 936 -2.932 6.073 -0.566 132 1HG1 VAL 936 1HG1 VAL 936 -3.490 5.106 -2.721 133 2HG1 VAL 936 2HG1 VAL 936 -4.655 4.588 -1.501 134 3HG1 VAL 936 3HG1 VAL 936 -5.093 5.839 -2.665 135 1HG2 VAL 936 1HG2 VAL 936 -2.530 7.350 -2.644 136 2HG2 VAL 936 2HG2 VAL 936 -4.064 8.185 -2.402 137 3HG2 VAL 936 3HG2 VAL 936 -2.762 8.380 -1.230 138 H ILE 937 H ILE 937 -7.295 6.104 -0.334 139 HA ILE 937 HA ILE 937 -8.198 8.455 -1.751 140 HB ILE 937 HB ILE 937 -10.326 7.536 -1.972 141 1HG1 ILE 937 1HG1 ILE 937 -9.782 5.512 0.196 142 2HG1 ILE 937 2HG1 ILE 937 -10.639 7.029 0.469 143 1HG2 ILE 937 1HG2 ILE 937 -8.458 5.188 -1.860 144 2HG2 ILE 937 2HG2 ILE 937 -10.003 5.234 -2.708 145 3HG2 ILE 937 3HG2 ILE 937 -8.682 6.282 -3.226 146 1HD1 ILE 937 1HD1 ILE 937 -12.366 6.335 -1.101 147 2HD1 ILE 937 2HD1 ILE 937 -11.499 4.829 -1.400 148 3HD1 ILE 937 3HD1 ILE 937 -12.170 5.159 0.197 149 H GLU 938 H GLU 938 -8.201 7.182 1.526 150 HA GLU 938 HA GLU 938 -9.439 9.286 2.858 151 1HB GLU 938 HB1 GLU 938 -6.912 7.801 3.639 152 2HB GLU 938 HB2 GLU 938 -7.805 8.874 4.709 153 1HG GLU 938 HG1 GLU 938 -9.797 7.413 4.445 154 2HG GLU 938 HG2 GLU 938 -8.810 6.306 3.493 155 H MET 939 H MET 939 -6.242 9.023 1.471 156 HA MET 939 HA MET 939 -5.173 11.460 2.278 157 1HB MET 939 HB1 MET 939 -3.687 9.942 1.277 158 2HB MET 939 HB2 MET 939 -4.726 9.695 -0.115 159 1HG MET 939 HG1 MET 939 -3.466 12.362 0.362 160 2HG MET 939 HG2 MET 939 -2.534 11.050 -0.351 161 1HE MET 939 HE1 MET 939 -3.320 13.316 -3.443 162 2HE MET 939 HE2 MET 939 -2.965 13.840 -1.796 163 3HE MET 939 HE3 MET 939 -2.060 12.506 -2.511 164 H SER 940 H SER 940 -7.149 10.686 -0.571 165 HA SER 940 HA SER 940 -7.159 13.327 -1.581 166 1HB SER 940 HB1 SER 940 -9.188 11.126 -2.035 167 2HB SER 940 HB2 SER 940 -8.952 12.555 -3.043 168 HG SER 940 HG SER 940 -6.610 11.267 -2.703 169 H SER 941 H SER 941 -8.995 11.746 0.927 170 HA SER 941 HA SER 941 -11.202 13.626 0.778 171 1HB SER 941 HB1 SER 941 -10.587 11.541 2.894 172 2HB SER 941 HB2 SER 941 -12.116 12.391 2.676 173 HG SER 941 HG SER 941 -10.903 10.622 0.803 174 H LYS 942 H LYS 942 -8.537 12.787 2.839 175 HA LYS 942 HA LYS 942 -8.835 14.582 4.916 176 1HB LYS 942 HB1 LYS 942 -7.079 12.598 4.188 177 2HB LYS 942 HB2 LYS 942 -6.076 14.035 4.081 178 1HG LYS 942 HG1 LYS 942 -7.701 13.393 6.514 179 2HG LYS 942 HG2 LYS 942 -6.064 12.782 6.274 180 1HD LYS 942 HD1 LYS 942 -5.271 15.087 6.026 181 2HD LYS 942 HD2 LYS 942 -6.910 15.664 6.350 182 1HE LYS 942 HE1 LYS 942 -5.181 14.040 8.221 183 2HE LYS 942 HE2 LYS 942 -5.534 15.760 8.367 184 1HZ LYS 942 HZ1 LYS 942 -7.671 13.712 8.373 185 2HZ LYS 942 HZ2 LYS 942 -6.888 14.198 9.792 186 3HZ LYS 942 HZ3 LYS 942 -7.766 15.327 8.879 187 H ILE 943 H ILE 943 -7.083 14.924 1.833 188 HA ILE 943 HA ILE 943 -5.958 17.442 2.469 189 HB ILE 943 HB ILE 943 -5.033 15.936 0.731 190 1HG1 ILE 943 1HG1 ILE 943 -5.773 18.691 -0.280 191 2HG1 ILE 943 2HG1 ILE 943 -4.425 18.324 0.789 192 1HG2 ILE 943 1HG2 ILE 943 -6.017 15.872 -1.495 193 2HG2 ILE 943 2HG2 ILE 943 -7.137 15.228 -0.294 194 3HG2 ILE 943 3HG2 ILE 943 -7.370 16.854 -0.936 195 1HD1 ILE 943 1HD1 ILE 943 -3.391 16.988 -0.969 196 2HD1 ILE 943 2HD1 ILE 943 -4.746 17.348 -2.039 197 3HD1 ILE 943 3HD1 ILE 943 -3.680 18.646 -1.500 198 H GLN 944 H GLN 944 -9.034 16.509 1.031 199 HA GLN 944 HA GLN 944 -9.789 18.844 -0.212 200 1HB GLN 944 HB1 GLN 944 -11.498 16.947 1.391 201 2HB GLN 944 HB2 GLN 944 -12.150 18.234 0.386 202 1HG GLN 944 HG1 GLN 944 -11.166 17.243 -1.582 203 2HG GLN 944 HG2 GLN 944 -10.400 15.996 -0.600 204 1HE2 GLN 944 2HE2 GLN 944 -11.400 14.323 -1.638 205 2HE2 GLN 944 1HE2 GLN 944 -13.091 13.986 -1.487 206 HA PRO 945 HA PRO 945 -10.976 21.074 3.701 207 1HB PRO 945 HB1 PRO 945 -11.619 19.879 5.988 208 2HB PRO 945 HB2 PRO 945 -12.702 19.803 4.593 209 1HG PRO 945 HG1 PRO 945 -10.943 17.709 5.734 210 2HG PRO 945 HG2 PRO 945 -12.471 17.541 4.856 211 1HD PRO 945 HD1 PRO 945 -9.819 17.284 3.825 212 2HD PRO 945 HD2 PRO 945 -11.345 17.189 2.928 213 H ALA 946 H ALA 946 -8.206 20.056 3.286 214 HA ALA 946 HA ALA 946 -7.145 20.442 6.014 215 1HB ALA 946 HB1 ALA 946 -5.903 18.798 3.821 216 2HB ALA 946 HB2 ALA 946 -5.284 19.009 5.459 217 3HB ALA 946 HB3 ALA 946 -6.805 18.156 5.194 218 HA PRO 947 HA PRO 947 -4.382 23.475 4.152 219 1HB PRO 947 HB1 PRO 947 -3.271 24.317 6.431 220 2HB PRO 947 HB2 PRO 947 -4.944 24.733 6.047 221 1HG PRO 947 HG1 PRO 947 -3.883 22.688 7.935 222 2HG PRO 947 HG2 PRO 947 -5.308 23.729 8.091 223 1HD PRO 947 HD1 PRO 947 -5.297 21.053 7.260 224 2HD PRO 947 HD2 PRO 947 -6.636 22.200 7.073 225 HA PRO 948 HA PRO 948 -0.381 21.449 3.911 226 1HB PRO 948 HB1 PRO 948 1.326 23.086 5.422 227 2HB PRO 948 HB2 PRO 948 1.014 23.217 3.689 228 1HG PRO 948 HG1 PRO 948 -0.181 24.746 5.951 229 2HG PRO 948 HG2 PRO 948 0.221 25.289 4.313 230 1HD PRO 948 HD1 PRO 948 -2.311 24.815 5.025 231 2HD PRO 948 HD2 PRO 948 -1.720 24.383 3.405 232 H GLU 949 H GLU 949 -1.266 22.611 7.086 233 HA GLU 949 HA GLU 949 0.350 21.065 8.712 234 1HB GLU 949 HB1 GLU 949 -2.491 21.997 9.124 235 2HB GLU 949 HB2 GLU 949 -1.496 21.291 10.393 236 1HG GLU 949 HG1 GLU 949 0.051 23.099 10.285 237 2HG GLU 949 HG2 GLU 949 -0.728 23.750 8.843 238 H GLU 950 H GLU 950 -2.815 20.227 7.281 239 HA GLU 950 HA GLU 950 -2.446 17.488 8.221 240 1HB GLU 950 HB1 GLU 950 -4.791 18.890 6.989 241 2HB GLU 950 HB2 GLU 950 -4.695 17.129 7.028 242 1HG GLU 950 HG1 GLU 950 -6.012 17.895 8.874 243 2HG GLU 950 HG2 GLU 950 -4.500 17.225 9.479 244 H TYR 951 H TYR 951 -1.406 19.198 5.645 245 HA TYR 951 HA TYR 951 -1.979 17.500 3.486 246 1HB TYR 951 HB1 TYR 951 0.228 19.439 4.051 247 2HB TYR 951 HB2 TYR 951 0.376 18.350 2.678 248 HD1 TYR 951 HD1 TYR 951 0.509 20.895 1.777 249 HD2 TYR 951 HD2 TYR 951 -3.027 18.889 3.029 250 HE1 TYR 951 HE1 TYR 951 -0.831 22.419 0.397 251 HE2 TYR 951 HE2 TYR 951 -4.384 20.413 1.656 252 HH TYR 951 HH TYR 951 -4.271 22.577 0.624 253 H VAL 952 H VAL 952 0.765 17.492 5.778 254 HA VAL 952 HA VAL 952 1.652 14.987 4.677 255 HB VAL 952 HB VAL 952 3.479 16.134 5.453 256 1HG1 VAL 952 1HG1 VAL 952 2.390 17.851 6.758 257 2HG1 VAL 952 2HG1 VAL 952 2.033 16.697 8.043 258 3HG1 VAL 952 3HG1 VAL 952 3.705 17.137 7.690 259 1HG2 VAL 952 1HG2 VAL 952 4.411 14.864 7.326 260 2HG2 VAL 952 2HG2 VAL 952 2.809 14.228 7.692 261 3HG2 VAL 952 3HG2 VAL 952 3.590 13.822 6.163 262 HA PRO 953 HA PRO 953 -0.630 13.174 8.761 263 1HB PRO 953 HB1 PRO 953 -2.795 15.184 8.412 264 2HB PRO 953 HB2 PRO 953 -2.324 14.287 9.869 265 1HG PRO 953 HG1 PRO 953 -1.566 16.791 9.621 266 2HG PRO 953 HG2 PRO 953 -0.405 15.578 10.194 267 1HD PRO 953 HD1 PRO 953 -0.621 16.870 7.507 268 2HD PRO 953 HD2 PRO 953 0.827 16.410 8.424 269 H MET 954 H MET 954 -2.076 14.761 5.960 270 HA MET 954 HA MET 954 -4.110 12.961 5.395 271 1HB MET 954 HB1 MET 954 -3.966 14.960 4.116 272 2HB MET 954 HB2 MET 954 -2.303 14.634 3.650 273 1HG MET 954 HG1 MET 954 -3.230 12.621 2.416 274 2HG MET 954 HG2 MET 954 -4.813 13.360 2.650 275 1HE MET 954 HE1 MET 954 -1.377 15.175 0.172 276 2HE MET 954 HE2 MET 954 -1.261 14.911 1.913 277 3HE MET 954 HE3 MET 954 -1.376 13.533 0.819 278 H VAL 955 H VAL 955 -0.843 13.033 4.039 279 HA VAL 955 HA VAL 955 -0.772 10.447 3.068 280 HB VAL 955 HB VAL 955 1.584 11.938 4.216 281 1HG1 VAL 955 1HG1 VAL 955 1.405 9.722 2.177 282 2HG1 VAL 955 2HG1 VAL 955 2.879 10.573 2.639 283 3HG1 VAL 955 3HG1 VAL 955 2.030 9.575 3.819 284 1HG2 VAL 955 1HG2 VAL 955 0.395 13.287 2.575 285 2HG2 VAL 955 2HG2 VAL 955 1.936 12.728 1.923 286 3HG2 VAL 955 3HG2 VAL 955 0.434 11.947 1.428 287 H LYS 956 H LYS 956 -0.439 11.561 6.362 288 HA LYS 956 HA LYS 956 0.767 9.270 7.482 289 1HB LYS 956 HB1 LYS 956 0.438 11.358 8.736 290 2HB LYS 956 HB2 LYS 956 -1.300 11.109 8.697 291 1HG LYS 956 HG1 LYS 956 -0.951 9.009 10.003 292 2HG LYS 956 HG2 LYS 956 0.747 9.466 10.167 293 1HD LYS 956 HD1 LYS 956 0.119 11.521 11.288 294 2HD LYS 956 HD2 LYS 956 -1.591 11.154 11.056 295 1HE LYS 956 HE1 LYS 956 -1.244 9.086 12.415 296 2HE LYS 956 HE2 LYS 956 0.391 9.653 12.761 297 1HZ LYS 956 HZ1 LYS 956 -1.098 10.264 14.543 298 2HZ LYS 956 HZ2 LYS 956 -0.582 11.663 13.738 299 3HZ LYS 956 HZ3 LYS 956 -2.135 11.051 13.459 300 H GLU 957 H GLU 957 -2.585 10.047 6.740 301 HA GLU 957 HA GLU 957 -3.793 7.760 7.748 302 1HB GLU 957 HB1 GLU 957 -4.613 9.336 5.298 303 2HB GLU 957 HB2 GLU 957 -5.628 8.172 6.141 304 1HG GLU 957 HG1 GLU 957 -5.212 9.638 8.214 305 2HG GLU 957 HG2 GLU 957 -4.688 10.856 7.054 306 H VAL 958 H VAL 958 -2.439 8.252 4.446 307 HA VAL 958 HA VAL 958 -2.913 5.508 3.784 308 HB VAL 958 HB VAL 958 -2.738 7.275 2.047 309 1HG1 VAL 958 1HG1 VAL 958 -0.533 7.991 1.272 310 2HG1 VAL 958 2HG1 VAL 958 -0.861 8.535 2.917 311 3HG1 VAL 958 3HG1 VAL 958 0.212 7.163 2.640 312 1HG2 VAL 958 1HG2 VAL 958 -0.813 4.977 1.736 313 2HG2 VAL 958 2HG2 VAL 958 -2.555 4.921 1.463 314 3HG2 VAL 958 3HG2 VAL 958 -1.530 5.912 0.424 315 H GLY 959 H GLY 959 -0.348 7.148 5.463 316 1HA GLY 959 HA1 GLY 959 1.637 5.119 5.108 317 2HA GLY 959 HA2 GLY 959 1.624 6.343 6.370 318 H LEU 960 H LEU 960 -0.643 5.827 7.728 319 HA LEU 960 HA LEU 960 -0.220 3.538 9.263 320 1HB LEU 960 HB1 LEU 960 -2.726 5.153 8.811 321 2HB LEU 960 HB2 LEU 960 -2.604 3.877 10.009 322 HG LEU 960 HG LEU 960 -0.879 6.354 9.969 323 1HD1 LEU 960 1HD1 LEU 960 -3.259 5.672 11.690 324 2HD1 LEU 960 2HD1 LEU 960 -2.216 7.083 11.879 325 3HD1 LEU 960 3HD1 LEU 960 -3.208 6.907 10.432 326 1HD2 LEU 960 1HD2 LEU 960 0.176 4.400 11.005 327 2HD2 LEU 960 2HD2 LEU 960 -0.217 5.636 12.202 328 3HD2 LEU 960 3HD2 LEU 960 -1.229 4.199 12.051 329 H ALA 961 H ALA 961 -1.837 3.950 6.273 330 HA ALA 961 HA ALA 961 -3.348 1.588 6.148 331 1HB ALA 961 HB1 ALA 961 -1.893 2.898 3.865 332 2HB ALA 961 HB2 ALA 961 -3.254 1.781 3.751 333 3HB ALA 961 HB3 ALA 961 -3.480 3.376 4.468 334 H LEU 962 H LEU 962 -0.021 2.147 4.872 335 HA LEU 962 HA LEU 962 0.437 -0.585 4.394 336 1HB LEU 962 HB1 LEU 962 1.809 0.957 3.253 337 2HB LEU 962 HB2 LEU 962 2.294 1.749 4.747 338 HG LEU 962 HG LEU 962 3.553 -0.278 5.394 339 1HD1 LEU 962 1HD1 LEU 962 2.235 -1.923 4.174 340 2HD1 LEU 962 2HD1 LEU 962 2.805 -1.256 2.643 341 3HD1 LEU 962 3HD1 LEU 962 3.943 -2.032 3.746 342 1HD2 LEU 962 1HD2 LEU 962 4.268 0.854 2.695 343 2HD2 LEU 962 2HD2 LEU 962 4.696 1.538 4.264 344 3HD2 LEU 962 3HD2 LEU 962 5.360 -0.018 3.770 345 H ARG 963 H ARG 963 1.092 1.407 7.304 346 HA ARG 963 HA ARG 963 2.315 -0.489 8.884 347 1HB ARG 963 HB1 ARG 963 1.976 1.760 9.664 348 2HB ARG 963 HB2 ARG 963 0.230 1.576 9.599 349 1HG ARG 963 HG1 ARG 963 0.938 1.485 11.879 350 2HG ARG 963 HG2 ARG 963 0.384 -0.116 11.396 351 1HD ARG 963 HD1 ARG 963 2.714 -0.810 11.062 352 2HD ARG 963 HD2 ARG 963 3.256 0.791 11.569 353 HE ARG 963 HE ARG 963 1.619 -0.806 13.412 354 1HH1 ARG 963 2HH1 ARG 963 4.736 0.560 12.573 355 2HH1 ARG 963 1HH1 ARG 963 5.382 0.405 14.181 356 1HH2 ARG 963 2HH2 ARG 963 2.480 -1.039 15.525 357 2HH2 ARG 963 1HH2 ARG 963 4.119 -0.539 15.843 358 H THR 964 H THR 964 -1.202 0.077 8.793 359 HA THR 964 HA THR 964 -1.993 -2.240 10.112 360 HB THR 964 HB THR 964 -3.525 -0.983 7.830 361 HG1 THR 964 HG1 THR 964 -3.162 0.738 9.103 362 1HG2 THR 964 1HG2 THR 964 -4.485 -3.054 8.733 363 2HG2 THR 964 2HG2 THR 964 -4.438 -2.366 10.357 364 3HG2 THR 964 3HG2 THR 964 -5.487 -1.657 9.129 365 H LEU 965 H LEU 965 -1.260 -1.732 6.703 366 HA LEU 965 HA LEU 965 -1.951 -4.292 5.769 367 1HB LEU 965 HB1 LEU 965 -1.598 -2.405 4.272 368 2HB LEU 965 HB2 LEU 965 0.095 -2.344 4.725 369 HG LEU 965 HG LEU 965 0.465 -4.536 3.698 370 1HD1 LEU 965 1HD1 LEU 965 -2.432 -4.350 2.886 371 2HD1 LEU 965 2HD1 LEU 965 -1.285 -5.583 2.360 372 3HD1 LEU 965 3HD1 LEU 965 -1.756 -5.482 4.056 373 1HD2 LEU 965 1HD2 LEU 965 0.776 -2.525 2.367 374 2HD2 LEU 965 2HD2 LEU 965 0.171 -3.853 1.375 375 3HD2 LEU 965 3HD2 LEU 965 -0.922 -2.568 1.890 376 H LEU 966 H LEU 966 0.851 -3.087 7.430 377 HA LEU 966 HA LEU 966 2.665 -5.164 6.850 378 1HB LEU 966 HB1 LEU 966 3.331 -3.044 7.906 379 2HB LEU 966 HB2 LEU 966 2.448 -3.487 9.354 380 HG LEU 966 HG LEU 966 3.996 -5.426 9.642 381 1HD1 LEU 966 1HD1 LEU 966 6.082 -5.457 8.386 382 2HD1 LEU 966 2HD1 LEU 966 4.699 -5.654 7.310 383 3HD1 LEU 966 3HD1 LEU 966 5.525 -4.100 7.406 384 1HD2 LEU 966 1HD2 LEU 966 5.256 -2.688 9.531 385 2HD2 LEU 966 2HD2 LEU 966 4.344 -3.368 10.879 386 3HD2 LEU 966 3HD2 LEU 966 5.893 -4.074 10.419 387 H ALA 967 H ALA 967 0.083 -4.862 9.223 388 HA ALA 967 HA ALA 967 0.543 -7.279 10.600 389 1HB ALA 967 HB1 ALA 967 -1.803 -7.177 11.248 390 2HB ALA 967 HB2 ALA 967 -1.054 -5.585 11.376 391 3HB ALA 967 HB3 ALA 967 -2.107 -5.958 10.010 392 H THR 968 H THR 968 -1.222 -6.543 7.633 393 HA THR 968 HA THR 968 -2.021 -9.215 7.065 394 HB THR 968 HB THR 968 -1.749 -6.734 5.402 395 HG1 THR 968 HG1 THR 968 -4.056 -8.290 5.555 396 1HG2 THR 968 1HG2 THR 968 -1.082 -8.545 3.912 397 2HG2 THR 968 2HG2 THR 968 -2.514 -9.466 4.371 398 3HG2 THR 968 3HG2 THR 968 -2.686 -7.951 3.485 399 H VAL 969 H VAL 969 0.812 -7.308 6.208 400 HA VAL 969 HA VAL 969 2.147 -9.128 4.593 401 HB VAL 969 HB VAL 969 3.341 -7.206 6.604 402 1HG1 VAL 969 1HG1 VAL 969 4.666 -8.655 4.314 403 2HG1 VAL 969 2HG1 VAL 969 5.404 -7.373 5.274 404 3HG1 VAL 969 3HG1 VAL 969 4.976 -8.906 6.032 405 1HG2 VAL 969 1HG2 VAL 969 3.667 -5.741 4.689 406 2HG2 VAL 969 2HG2 VAL 969 2.920 -6.935 3.629 407 3HG2 VAL 969 3HG2 VAL 969 1.961 -6.143 4.881 408 H ASP 970 H ASP 970 1.708 -9.094 8.057 409 HA ASP 970 HA ASP 970 3.589 -11.202 8.589 410 1HB ASP 970 HB1 ASP 970 3.061 -9.524 10.301 411 2HB ASP 970 HB2 ASP 970 1.379 -10.038 10.300 412 H GLU 971 H GLU 971 0.261 -11.053 7.721 413 HA GLU 971 HA GLU 971 -0.334 -13.805 8.276 414 1HB GLU 971 HB1 GLU 971 -1.536 -12.075 6.100 415 2HB GLU 971 HB2 GLU 971 -2.249 -13.508 6.827 416 1HG GLU 971 HG1 GLU 971 -1.702 -10.916 8.249 417 2HG GLU 971 HG2 GLU 971 -3.277 -11.441 7.634 418 H SER 972 H SER 972 0.593 -11.998 5.429 419 HA SER 972 HA SER 972 0.998 -14.165 3.687 420 1HB SER 972 HB1 SER 972 0.640 -11.886 2.901 421 2HB SER 972 HB2 SER 972 2.151 -11.370 3.660 422 HG SER 972 HG SER 972 3.231 -12.851 2.253 423 H LEU 973 H LEU 973 2.907 -12.812 6.220 424 HA LEU 973 HA LEU 973 5.475 -13.474 5.325 425 1HB LEU 973 HB1 LEU 973 4.850 -11.936 7.234 426 2HB LEU 973 HB2 LEU 973 4.580 -13.364 8.210 427 HG LEU 973 HG LEU 973 7.250 -12.879 6.917 428 1HD1 LEU 973 1HD1 LEU 973 6.747 -10.851 8.145 429 2HD1 LEU 973 2HD1 LEU 973 6.283 -11.795 9.561 430 3HD1 LEU 973 3HD1 LEU 973 7.959 -11.796 9.011 431 1HD2 LEU 973 1HD2 LEU 973 8.033 -14.206 8.834 432 2HD2 LEU 973 2HD2 LEU 973 6.368 -14.359 9.395 433 3HD2 LEU 973 3HD2 LEU 973 6.852 -15.086 7.862 434 HA PRO 974 HA PRO 974 5.182 -17.738 7.626 435 1HB PRO 974 HB1 PRO 974 2.237 -18.124 7.655 436 2HB PRO 974 HB2 PRO 974 3.446 -18.617 8.848 437 1HG PRO 974 HG1 PRO 974 1.824 -16.560 9.326 438 2HG PRO 974 HG2 PRO 974 3.526 -16.517 9.826 439 1HD PRO 974 HD1 PRO 974 2.202 -15.209 7.484 440 2HD PRO 974 HD2 PRO 974 3.454 -14.574 8.570 441 H VAL 975 H VAL 975 2.821 -16.502 5.341 442 HA VAL 975 HA VAL 975 2.850 -18.913 3.735 443 HB VAL 975 HB VAL 975 2.035 -16.225 2.680 444 1HG1 VAL 975 1HG1 VAL 975 1.079 -19.039 2.158 445 2HG1 VAL 975 2HG1 VAL 975 0.451 -17.581 1.389 446 3HG1 VAL 975 3HG1 VAL 975 2.118 -18.081 1.106 447 1HG2 VAL 975 1HG2 VAL 975 -0.232 -16.684 3.538 448 2HG2 VAL 975 2HG2 VAL 975 0.406 -18.059 4.439 449 3HG2 VAL 975 3HG2 VAL 975 0.940 -16.425 4.832 450 H LEU 976 H LEU 976 5.090 -16.368 4.148 451 HA LEU 976 HA LEU 976 6.032 -16.407 1.450 452 1HB LEU 976 HB1 LEU 976 7.587 -14.767 1.967 453 2HB LEU 976 HB2 LEU 976 6.189 -14.389 2.937 454 HG LEU 976 HG LEU 976 7.507 -15.572 4.855 455 1HD1 LEU 976 1HD1 LEU 976 9.755 -14.833 2.981 456 2HD1 LEU 976 2HD1 LEU 976 9.930 -15.328 4.665 457 3HD1 LEU 976 3HD1 LEU 976 9.311 -16.469 3.471 458 1HD2 LEU 976 1HD2 LEU 976 8.340 -12.888 3.762 459 2HD2 LEU 976 2HD2 LEU 976 6.931 -13.198 4.776 460 3HD2 LEU 976 3HD2 LEU 976 8.553 -13.444 5.423 461 HA PRO 977 HA PRO 977 9.536 -19.244 3.127 462 1HB PRO 977 HB1 PRO 977 8.262 -20.638 5.385 463 2HB PRO 977 HB2 PRO 977 9.889 -19.958 5.266 464 1HG PRO 977 HG1 PRO 977 8.011 -18.834 6.809 465 2HG PRO 977 HG2 PRO 977 9.203 -17.855 5.930 466 1HD PRO 977 HD1 PRO 977 6.351 -18.451 5.219 467 2HD PRO 977 HD2 PRO 977 7.224 -16.907 5.154 468 H ALA 978 H ALA 978 6.123 -19.971 3.616 469 HA ALA 978 HA ALA 978 6.097 -22.546 2.517 470 1HB ALA 978 HB1 ALA 978 3.956 -20.425 2.317 471 2HB ALA 978 HB2 ALA 978 3.733 -22.158 2.076 472 3HB ALA 978 HB3 ALA 978 4.173 -21.539 3.668 473 H SER 979 H SER 979 5.532 -19.394 0.904 474 HA SER 979 HA SER 979 6.749 -20.312 -1.533 475 1HB SER 979 HB1 SER 979 3.744 -20.101 -1.303 476 2HB SER 979 HB2 SER 979 4.573 -19.988 -2.862 477 HG SER 979 HG SER 979 5.437 -22.112 -1.394 478 H THR 980 H THR 980 4.683 -17.915 0.003 479 HA THR 980 HA THR 980 4.501 -15.954 -1.896 480 HB THR 980 HB THR 980 4.676 -15.627 1.087 481 HG1 THR 980 HG1 THR 980 2.438 -15.816 0.953 482 1HG2 THR 980 1HG2 THR 980 4.997 -13.483 -0.036 483 2HG2 THR 980 2HG2 THR 980 3.548 -13.763 -1.001 484 3HG2 THR 980 3HG2 THR 980 3.419 -13.552 0.746 485 H HIS 981 H HIS 981 7.443 -16.562 -0.041 486 HA HIS 981 HA HIS 981 8.248 -13.990 0.426 487 1HB HIS 981 HB1 HIS 981 10.407 -14.748 0.875 488 2HB HIS 981 HB2 HIS 981 9.379 -16.131 1.207 489 HD1 HIS 981 HD1 HIS 981 12.068 -14.903 -1.050 490 HD2 HIS 981 HD2 HIS 981 9.747 -18.324 -0.530 491 HE1 HIS 981 HE1 HIS 981 13.162 -16.693 -2.443 492 HE2 HIS 981 HE2 HIS 981 11.840 -18.789 -1.980 493 H ARG 982 H ARG 982 8.833 -15.772 -2.598 494 HA ARG 982 HA ARG 982 10.415 -13.911 -3.883 495 1HB ARG 982 HB1 ARG 982 8.208 -15.577 -5.094 496 2HB ARG 982 HB2 ARG 982 9.395 -14.678 -6.030 497 1HG ARG 982 HG1 ARG 982 11.003 -16.117 -4.390 498 2HG ARG 982 HG2 ARG 982 9.646 -17.225 -4.605 499 1HD ARG 982 HD1 ARG 982 11.291 -15.938 -6.781 500 2HD ARG 982 HD2 ARG 982 11.316 -17.635 -6.309 501 HE ARG 982 HE ARG 982 8.802 -17.465 -7.006 502 1HH1 ARG 982 2HH1 ARG 982 11.542 -15.938 -8.578 503 2HH1 ARG 982 1HH1 ARG 982 10.804 -15.959 -10.154 504 1HH2 ARG 982 2HH2 ARG 982 7.838 -17.478 -9.054 505 2HH2 ARG 982 1HH2 ARG 982 8.695 -16.846 -10.431 506 H GLU 983 H GLU 983 6.834 -13.933 -3.864 507 HA GLU 983 HA GLU 983 6.672 -11.483 -5.296 508 1HB GLU 983 HB1 GLU 983 4.845 -13.406 -4.810 509 2HB GLU 983 HB2 GLU 983 4.375 -12.232 -3.595 510 1HG GLU 983 HG1 GLU 983 3.170 -11.341 -5.253 511 2HG GLU 983 HG2 GLU 983 4.722 -10.633 -5.746 512 H ILE 984 H ILE 984 6.263 -12.301 -1.850 513 HA ILE 984 HA ILE 984 5.370 -9.747 -1.100 514 HB ILE 984 HB ILE 984 5.089 -11.733 0.333 515 1HG1 ILE 984 1HG1 ILE 984 5.712 -10.636 2.507 516 2HG1 ILE 984 2HG1 ILE 984 6.573 -9.407 1.585 517 1HG2 ILE 984 1HG2 ILE 984 8.021 -11.416 0.975 518 2HG2 ILE 984 2HG2 ILE 984 6.903 -12.593 1.667 519 3HG2 ILE 984 3HG2 ILE 984 7.333 -12.684 -0.039 520 1HD1 ILE 984 1HD1 ILE 984 4.482 -8.761 0.508 521 2HD1 ILE 984 2HD1 ILE 984 3.627 -9.989 1.442 522 3HD1 ILE 984 3HD1 ILE 984 4.385 -8.625 2.264 523 H GLU 985 H GLU 985 8.593 -11.044 -1.582 524 HA GLU 985 HA GLU 985 9.973 -8.835 -0.450 525 1HB GLU 985 HB1 GLU 985 10.796 -10.946 -2.436 526 2HB GLU 985 HB2 GLU 985 11.887 -9.665 -1.928 527 1HG GLU 985 HG1 GLU 985 11.699 -10.412 0.388 528 2HG GLU 985 HG2 GLU 985 10.585 -11.683 -0.111 529 H MET 986 H MET 986 8.626 -9.474 -3.670 530 HA MET 986 HA MET 986 10.036 -7.378 -4.927 531 1HB MET 986 HB1 MET 986 8.782 -7.722 -6.860 532 2HB MET 986 HB2 MET 986 8.895 -9.304 -6.112 533 1HG MET 986 HG1 MET 986 6.653 -9.229 -5.395 534 2HG MET 986 HG2 MET 986 6.511 -7.510 -5.760 535 1HE MET 986 HE1 MET 986 6.622 -7.528 -9.680 536 2HE MET 986 HE2 MET 986 6.542 -6.533 -8.224 537 3HE MET 986 HE3 MET 986 8.022 -7.407 -8.617 538 H ALA 987 H ALA 987 6.713 -7.467 -3.652 539 HA ALA 987 HA ALA 987 6.297 -4.725 -4.392 540 1HB ALA 987 HB1 ALA 987 4.510 -6.464 -4.470 541 2HB ALA 987 HB2 ALA 987 4.492 -6.424 -2.708 542 3HB ALA 987 HB3 ALA 987 4.080 -4.976 -3.626 543 H GLN 988 H GLN 988 6.755 -6.516 -1.352 544 HA GLN 988 HA GLN 988 6.050 -4.333 0.280 545 1HB GLN 988 HB1 GLN 988 6.077 -6.726 1.001 546 2HB GLN 988 HB2 GLN 988 7.832 -6.653 1.046 547 1HG GLN 988 HG1 GLN 988 6.315 -4.642 2.611 548 2HG GLN 988 HG2 GLN 988 6.342 -6.302 3.200 549 1HE2 GLN 988 2HE2 GLN 988 7.493 -3.882 4.349 550 2HE2 GLN 988 1HE2 GLN 988 9.180 -4.211 4.551 551 H LYS 989 H LYS 989 9.177 -5.382 -1.015 552 HA LYS 989 HA LYS 989 10.731 -3.399 0.285 553 1HB LYS 989 HB1 LYS 989 11.806 -5.270 -0.812 554 2HB LYS 989 HB2 LYS 989 11.122 -4.806 -2.364 555 1HG LYS 989 HG1 LYS 989 12.434 -2.690 -2.227 556 2HG LYS 989 HG2 LYS 989 13.209 -3.333 -0.778 557 1HD LYS 989 HD1 LYS 989 14.115 -5.186 -2.030 558 2HD LYS 989 HD2 LYS 989 13.234 -4.685 -3.475 559 1HE LYS 989 HE1 LYS 989 15.420 -3.132 -2.091 560 2HE LYS 989 HE2 LYS 989 15.580 -4.028 -3.600 561 1HZ LYS 989 HZ1 LYS 989 15.285 -1.714 -4.082 562 2HZ LYS 989 HZ2 LYS 989 13.884 -2.541 -4.563 563 3HZ LYS 989 HZ3 LYS 989 13.883 -1.634 -3.134 564 H LEU 990 H LEU 990 8.979 -3.509 -2.755 565 HA LEU 990 HA LEU 990 9.667 -0.975 -3.725 566 1HB LEU 990 HB1 LEU 990 8.705 -2.041 -5.431 567 2HB LEU 990 HB2 LEU 990 7.838 -3.126 -4.370 568 HG LEU 990 HG LEU 990 6.085 -1.346 -4.112 569 1HD1 LEU 990 1HD1 LEU 990 5.993 0.441 -5.758 570 2HD1 LEU 990 2HD1 LEU 990 7.472 0.578 -4.808 571 3HD1 LEU 990 3HD1 LEU 990 7.532 -0.079 -6.442 572 1HD2 LEU 990 1HD2 LEU 990 5.051 -1.816 -6.265 573 2HD2 LEU 990 2HD2 LEU 990 6.600 -2.369 -6.899 574 3HD2 LEU 990 3HD2 LEU 990 5.811 -3.260 -5.596 575 H LEU 991 H LEU 991 6.893 -1.983 -1.698 576 HA LEU 991 HA LEU 991 5.743 0.640 -1.838 577 1HB LEU 991 HB1 LEU 991 4.165 -0.270 -0.069 578 2HB LEU 991 HB2 LEU 991 4.124 -0.998 -1.657 579 HG LEU 991 HG LEU 991 5.635 -2.820 -0.657 580 1HD1 LEU 991 1HD1 LEU 991 4.493 -1.687 1.891 581 2HD1 LEU 991 2HD1 LEU 991 5.432 -3.171 1.722 582 3HD1 LEU 991 3HD1 LEU 991 6.189 -1.608 1.417 583 1HD2 LEU 991 1HD2 LEU 991 3.668 -3.997 0.205 584 2HD2 LEU 991 2HD2 LEU 991 2.775 -2.474 0.208 585 3HD2 LEU 991 3HD2 LEU 991 3.340 -3.163 -1.315 586 H ASN 992 H ASN 992 7.817 -1.040 0.396 587 HA ASN 992 HA ASN 992 7.615 0.694 2.574 588 1HB ASN 992 HB1 ASN 992 8.946 -1.400 2.607 589 2HB ASN 992 HB2 ASN 992 10.121 -0.654 1.527 590 1HD2 ASN 992 2HD2 ASN 992 11.481 0.956 2.315 591 2HD2 ASN 992 1HD2 ASN 992 11.715 1.219 4.008 592 H SER 993 H SER 993 9.457 0.903 -0.400 593 HA SER 993 HA SER 993 10.871 3.275 0.355 594 1HB SER 993 HB1 SER 993 10.579 2.086 -2.409 595 2HB SER 993 HB2 SER 993 11.885 3.110 -1.809 596 HG SER 993 HG SER 993 11.386 0.392 -1.370 597 H ASP 994 H ASP 994 7.796 2.648 -1.127 598 HA ASP 994 HA ASP 994 7.802 5.302 -2.378 599 1HB ASP 994 HB1 ASP 994 6.265 2.804 -2.973 600 2HB ASP 994 HB2 ASP 994 5.647 4.367 -3.499 601 H LEU 995 H LEU 995 5.670 3.256 -0.347 602 HA LEU 995 HA LEU 995 3.762 5.188 0.294 603 1HB LEU 995 HB1 LEU 995 4.156 2.625 1.083 604 2HB LEU 995 HB2 LEU 995 4.750 3.444 2.507 605 HG LEU 995 HG LEU 995 2.521 2.916 2.968 606 1HD1 LEU 995 1HD1 LEU 995 2.590 5.781 2.052 607 2HD1 LEU 995 2HD1 LEU 995 1.379 5.080 3.126 608 3HD1 LEU 995 3HD1 LEU 995 3.066 5.167 3.635 609 1HD2 LEU 995 1HD2 LEU 995 1.830 4.012 0.251 610 2HD2 LEU 995 2HD2 LEU 995 1.792 2.322 0.755 611 3HD2 LEU 995 3HD2 LEU 995 0.659 3.477 1.456 612 H ALA 996 H ALA 996 6.751 4.346 1.985 613 HA ALA 996 HA ALA 996 6.808 6.436 3.811 614 1HB ALA 996 HB1 ALA 996 8.341 4.534 3.920 615 2HB ALA 996 HB2 ALA 996 9.205 5.155 2.513 616 3HB ALA 996 HB3 ALA 996 9.200 6.070 4.020 617 H GLU 997 H GLU 997 8.171 6.402 0.506 618 HA GLU 997 HA GLU 997 9.321 8.892 0.514 619 1HB GLU 997 HB1 GLU 997 9.408 7.250 -1.374 620 2HB GLU 997 HB2 GLU 997 7.791 7.775 -1.831 621 1HG GLU 997 HG1 GLU 997 8.683 10.091 -2.034 622 2HG GLU 997 HG2 GLU 997 10.296 9.435 -1.781 623 H LEU 998 H LEU 998 5.877 8.116 0.064 624 HA LEU 998 HA LEU 998 5.220 10.769 -0.785 625 1HB LEU 998 HB1 LEU 998 3.805 8.819 -1.340 626 2HB LEU 998 HB2 LEU 998 3.359 8.683 0.353 627 HG LEU 998 HG LEU 998 2.353 10.951 0.238 628 1HD1 LEU 998 1HD1 LEU 998 1.980 11.993 -1.929 629 2HD1 LEU 998 2HD1 LEU 998 3.704 11.833 -1.593 630 3HD1 LEU 998 3HD1 LEU 998 2.917 10.721 -2.714 631 1HD2 LEU 998 1HD2 LEU 998 1.285 8.998 -1.793 632 2HD2 LEU 998 2HD2 LEU 998 0.956 8.976 -0.061 633 3HD2 LEU 998 3HD2 LEU 998 0.382 10.317 -1.051 634 H ILE 999 H ILE 999 5.381 9.153 2.308 635 HA ILE 999 HA ILE 999 4.060 11.046 3.892 636 HB ILE 999 HB ILE 999 6.491 9.416 4.662 637 1HG1 ILE 999 1HG1 ILE 999 3.545 8.768 4.917 638 2HG1 ILE 999 2HG1 ILE 999 4.652 8.031 3.767 639 1HG2 ILE 999 1HG2 ILE 999 6.040 11.205 6.242 640 2HG2 ILE 999 2HG2 ILE 999 4.354 10.704 6.357 641 3HG2 ILE 999 3HG2 ILE 999 5.631 9.644 6.955 642 1HD1 ILE 999 1HD1 ILE 999 4.826 7.811 6.763 643 2HD1 ILE 999 2HD1 ILE 999 4.231 6.570 5.660 644 3HD1 ILE 999 3HD1 ILE 999 5.924 7.062 5.604 645 H ASN1000 H ASN1000 7.244 10.966 2.535 646 HA ASN1000 HA ASN1000 8.024 13.515 3.796 647 1HB ASN1000 HB1 ASN1000 9.596 11.660 1.985 648 2HB ASN1000 HB2 ASN1000 10.233 13.088 2.795 649 1HD2 ASN1000 2HD2 ASN1000 9.196 9.797 3.168 650 2HD2 ASN1000 1HD2 ASN1000 9.845 9.564 4.756 651 H LYS1001 H LYS1001 6.503 12.360 1.071 652 HA LYS1001 HA LYS1001 7.614 14.251 -0.808 653 1HB LYS1001 HB1 LYS1001 6.524 11.848 -1.212 654 2HB LYS1001 HB2 LYS1001 5.065 12.816 -1.371 655 1HG LYS1001 HG1 LYS1001 5.900 12.555 -3.548 656 2HG LYS1001 HG2 LYS1001 6.333 14.199 -3.071 657 1HD LYS1001 HD1 LYS1001 8.589 13.506 -2.574 658 2HD LYS1001 HD2 LYS1001 8.175 11.817 -2.882 659 1HE LYS1001 HE1 LYS1001 7.598 12.487 -5.228 660 2HE LYS1001 HE2 LYS1001 8.263 14.081 -4.870 661 1HZ LYS1001 HZ1 LYS1001 9.760 11.520 -4.686 662 2HZ LYS1001 HZ2 LYS1001 9.869 12.623 -5.970 663 3HZ LYS1001 HZ3 LYS1001 10.398 13.072 -4.418 664 H MET1002 H MET1002 4.449 13.735 0.816 665 HA MET1002 HA MET1002 3.616 16.365 -0.012 666 1HB MET1002 HB1 MET1002 2.001 14.474 0.419 667 2HB MET1002 HB2 MET1002 2.339 14.696 2.136 668 1HG MET1002 HG1 MET1002 0.379 15.933 1.652 669 2HG MET1002 HG2 MET1002 1.708 17.088 1.877 670 1HE MET1002 HE1 MET1002 -0.876 18.341 -1.047 671 2HE MET1002 HE2 MET1002 -1.320 17.151 0.176 672 3HE MET1002 HE3 MET1002 -0.436 18.606 0.639 673 H LYS1003 H LYS1003 5.135 14.852 2.753 674 HA LYS1003 HA LYS1003 5.128 17.015 4.504 675 1HB LYS1003 HB1 LYS1003 6.218 14.713 4.852 676 2HB LYS1003 HB2 LYS1003 7.583 15.347 3.944 677 1HG LYS1003 HG1 LYS1003 7.812 17.151 5.610 678 2HG LYS1003 HG2 LYS1003 6.507 16.414 6.540 679 1HD LYS1003 HD1 LYS1003 7.859 14.324 6.653 680 2HD LYS1003 HD2 LYS1003 9.184 15.198 5.884 681 1HE LYS1003 HE1 LYS1003 7.911 15.812 8.548 682 2HE LYS1003 HE2 LYS1003 9.524 15.159 8.272 683 1HZ LYS1003 HZ1 LYS1003 8.529 17.893 7.755 684 2HZ LYS1003 HZ2 LYS1003 9.879 17.401 8.654 685 3HZ LYS1003 HZ3 LYS1003 9.915 17.304 6.963 686 H LEU1004 H LEU1004 7.369 16.230 1.870 687 HA LEU1004 HA LEU1004 8.795 18.581 1.760 688 1HB LEU1004 HB1 LEU1004 9.213 16.464 0.524 689 2HB LEU1004 HB2 LEU1004 7.917 16.906 -0.568 690 HG LEU1004 HG LEU1004 9.189 18.929 -1.224 691 1HD1 LEU1004 1HD1 LEU1004 11.390 17.717 0.442 692 2HD1 LEU1004 2HD1 LEU1004 11.532 19.132 -0.600 693 3HD1 LEU1004 3HD1 LEU1004 10.497 19.189 0.826 694 1HD2 LEU1004 1HD2 LEU1004 10.877 17.755 -2.553 695 2HD2 LEU1004 2HD2 LEU1004 10.649 16.314 -1.561 696 3HD2 LEU1004 3HD2 LEU1004 9.330 16.912 -2.568 697 H ALA1005 H ALA1005 5.715 17.835 0.112 698 HA ALA1005 HA ALA1005 5.520 20.292 -1.257 699 1HB ALA1005 HB1 ALA1005 3.317 18.453 -0.339 700 2HB ALA1005 HB2 ALA1005 3.134 19.759 -1.509 701 3HB ALA1005 HB3 ALA1005 4.166 18.377 -1.882 702 H GLN1006 H GLN1006 4.331 19.257 1.891 703 HA GLN1006 HA GLN1006 3.173 21.804 2.535 704 1HB GLN1006 HB1 GLN1006 2.477 20.792 4.511 705 2HB GLN1006 HB2 GLN1006 2.607 19.408 3.433 706 1HG GLN1006 HG1 GLN1006 3.756 18.479 5.089 707 2HG GLN1006 HG2 GLN1006 5.092 19.471 4.513 708 1HE2 GLN1006 2HE2 GLN1006 2.262 20.720 6.145 709 2HE2 GLN1006 1HE2 GLN1006 3.075 21.226 7.587 710 H GLN1007 H GLN1007 6.269 20.545 2.392 711 HA GLN1007 HA GLN1007 7.455 22.136 4.469 712 1HB GLN1007 HB1 GLN1007 8.104 19.777 3.222 713 2HB GLN1007 HB2 GLN1007 9.159 20.928 2.414 714 1HG GLN1007 HG1 GLN1007 10.287 19.895 4.273 715 2HG GLN1007 HG2 GLN1007 10.053 21.615 4.588 716 1HE2 GLN1007 2HE2 GLN1007 7.354 19.402 4.811 717 2HE2 GLN1007 1HE2 GLN1007 7.245 19.440 6.549 718 H TYR1008 H TYR1008 6.740 22.312 1.135 719 HA TYR1008 HA TYR1008 8.455 24.575 0.578 720 1HB TYR1008 HB1 TYR1008 7.412 22.628 -0.984 721 2HB TYR1008 HB2 TYR1008 6.190 23.871 -1.211 722 HD1 TYR1008 HD1 TYR1008 6.913 23.614 -3.621 723 HD2 TYR1008 HD2 TYR1008 9.462 25.215 -0.612 724 HE1 TYR1008 HE1 TYR1008 8.330 24.621 -5.365 725 HE2 TYR1008 HE2 TYR1008 10.883 26.231 -2.348 726 HH TYR1008 HH TYR1008 9.955 26.243 -5.723 727 H VAL1009 H VAL1009 4.994 23.908 0.586 728 HA VAL1009 HA VAL1009 3.188 25.297 0.580 729 HB VAL1009 HB VAL1009 3.423 24.538 2.856 730 1HG1 VAL1009 1HG1 VAL1009 5.630 25.406 3.381 731 2HG1 VAL1009 2HG1 VAL1009 4.989 27.049 3.397 732 3HG1 VAL1009 3HG1 VAL1009 4.450 25.880 4.603 733 1HG2 VAL1009 1HG2 VAL1009 2.118 26.279 3.996 734 2HG2 VAL1009 2HG2 VAL1009 2.509 27.404 2.694 735 3HG2 VAL1009 3HG2 VAL1009 1.544 25.965 2.359 736 H MET1010 H MET1010 4.186 26.562 -1.196 737 HA MET1010 HA MET1010 4.290 29.397 -0.405 738 1HB MET1010 HB1 MET1010 5.656 28.058 -2.756 739 2HB MET1010 HB2 MET1010 5.623 29.792 -2.474 740 1HG MET1010 HG1 MET1010 6.863 27.762 -0.631 741 2HG MET1010 HG2 MET1010 7.741 28.740 -1.806 742 1HE MET1010 HE1 MET1010 9.357 29.530 0.200 743 2HE MET1010 HE2 MET1010 8.759 30.251 1.693 744 3HE MET1010 HE3 MET1010 8.416 28.560 1.332 745 H THR1011 H THR1011 3.271 30.861 -2.005 746 HA THR1011 HA THR1011 0.646 30.073 -2.373 747 HB THR1011 HB THR1011 0.425 32.107 -3.839 748 HG1 THR1011 HG1 THR1011 2.871 33.119 -3.195 749 1HG2 THR1011 1HG2 THR1011 1.863 32.441 -1.205 750 2HG2 THR1011 2HG2 THR1011 0.920 33.687 -2.023 751 3HG2 THR1011 3HG2 THR1011 0.125 32.231 -1.421 752 H SER1012 H SER1012 3.048 30.541 -4.978 753 HA SER1012 HA SER1012 1.297 29.032 -6.771 754 1HB SER1012 HB1 SER1012 2.957 29.863 -8.519 755 2HB SER1012 HB2 SER1012 1.990 31.098 -7.713 756 HG SER1012 HG SER1012 4.551 31.114 -7.914 757 H LEU1013 H LEU1013 4.158 28.665 -4.934 758 HA LEU1013 HA LEU1013 5.325 26.690 -6.701 759 1HB LEU1013 HB1 LEU1013 6.213 27.726 -4.014 760 2HB LEU1013 HB2 LEU1013 7.084 26.513 -4.928 761 HG LEU1013 HG LEU1013 8.224 28.513 -5.337 762 1HD1 LEU1013 1HD1 LEU1013 7.859 27.256 -7.371 763 2HD1 LEU1013 2HD1 LEU1013 6.340 28.107 -7.651 764 3HD1 LEU1013 3HD1 LEU1013 7.870 28.985 -7.712 765 1HD2 LEU1013 1HD2 LEU1013 6.550 30.053 -4.441 766 2HD2 LEU1013 2HD2 LEU1013 7.183 30.609 -5.990 767 3HD2 LEU1013 3HD2 LEU1013 5.588 29.859 -5.908 768 H GLN1014 H GLN1014 3.197 26.696 -3.998 769 HA GLN1014 HA GLN1014 3.836 24.204 -2.845 770 1HB GLN1014 HB1 GLN1014 2.198 26.074 -2.045 771 2HB GLN1014 HB2 GLN1014 1.016 25.215 -3.020 772 1HG GLN1014 HG1 GLN1014 2.597 23.749 -0.960 773 2HG GLN1014 HG2 GLN1014 1.197 24.717 -0.497 774 1HE2 GLN1014 2HE2 GLN1014 2.296 21.891 -2.178 775 2HE2 GLN1014 1HE2 GLN1014 0.737 21.190 -2.416 776 H GLN1015 H GLN1015 1.531 25.082 -5.398 777 HA GLN1015 HA GLN1015 0.486 22.512 -5.815 778 1HB GLN1015 HB1 GLN1015 -0.326 23.350 -7.958 779 2HB GLN1015 HB2 GLN1015 -0.611 24.520 -6.679 780 1HG GLN1015 HG1 GLN1015 1.243 25.857 -7.419 781 2HG GLN1015 HG2 GLN1015 1.684 24.642 -8.617 782 1HE2 GLN1015 2HE2 GLN1015 0.401 24.366 -10.432 783 2HE2 GLN1015 1HE2 GLN1015 -0.695 25.598 -10.969 784 H GLU1016 H GLU1016 3.211 24.165 -7.343 785 HA GLU1016 HA GLU1016 4.093 22.289 -9.107 786 1HB GLU1016 HB1 GLU1016 5.241 24.406 -8.792 787 2HB GLU1016 HB2 GLU1016 5.781 23.913 -7.195 788 1HG GLU1016 HG1 GLU1016 7.542 23.791 -8.912 789 2HG GLU1016 HG2 GLU1016 7.223 22.246 -8.129 790 H TYR1017 H TYR1017 4.845 22.279 -5.606 791 HA TYR1017 HA TYR1017 6.119 19.729 -5.736 792 1HB TYR1017 HB1 TYR1017 5.368 21.614 -3.575 793 2HB TYR1017 HB2 TYR1017 5.551 19.924 -3.125 794 HD1 TYR1017 HD1 TYR1017 7.450 20.763 -1.638 795 HD2 TYR1017 HD2 TYR1017 7.560 20.988 -5.900 796 HE1 TYR1017 HE1 TYR1017 9.894 21.026 -1.573 797 HE2 TYR1017 HE2 TYR1017 9.996 21.260 -5.829 798 HH TYR1017 HH TYR1017 11.729 21.936 -4.343 799 H LYS1018 H LYS1018 2.840 20.772 -5.343 800 HA LYS1018 HA LYS1018 1.814 18.324 -4.301 801 1HB LYS1018 HB1 LYS1018 0.571 20.413 -4.090 802 2HB LYS1018 HB2 LYS1018 0.458 20.552 -5.837 803 1HG LYS1018 HG1 LYS1018 -0.969 18.612 -5.941 804 2HG LYS1018 HG2 LYS1018 -0.767 18.334 -4.210 805 1HD LYS1018 HD1 LYS1018 -1.885 20.421 -3.709 806 2HD LYS1018 HD2 LYS1018 -2.005 20.803 -5.428 807 1HE LYS1018 HE1 LYS1018 -3.248 18.375 -4.149 808 2HE LYS1018 HE2 LYS1018 -4.104 19.894 -4.405 809 1HZ LYS1018 HZ1 LYS1018 -4.005 19.643 -6.706 810 2HZ LYS1018 HZ2 LYS1018 -2.795 18.460 -6.639 811 3HZ LYS1018 HZ3 LYS1018 -4.375 18.089 -6.146 812 H LYS1019 H LYS1019 2.335 19.646 -7.497 813 HA LYS1019 HA LYS1019 1.225 17.560 -9.041 814 1HB LYS1019 HB1 LYS1019 1.709 19.695 -10.021 815 2HB LYS1019 HB2 LYS1019 3.393 19.604 -9.541 816 1HG LYS1019 HG1 LYS1019 3.626 17.659 -11.112 817 2HG LYS1019 HG2 LYS1019 2.006 18.048 -11.702 818 1HD LYS1019 HD1 LYS1019 2.730 20.274 -12.324 819 2HD LYS1019 HD2 LYS1019 4.328 19.971 -11.643 820 1HE LYS1019 HE1 LYS1019 4.623 18.141 -13.293 821 2HE LYS1019 HE2 LYS1019 3.080 18.597 -14.016 822 1HZ LYS1019 HZ1 LYS1019 5.489 20.323 -13.805 823 2HZ LYS1019 HZ2 LYS1019 4.907 19.587 -15.216 824 3HZ LYS1019 HZ3 LYS1019 4.002 20.800 -14.458 825 H GLN1020 H GLN1020 4.172 17.923 -7.306 826 HA GLN1020 HA GLN1020 5.559 15.798 -8.731 827 1HB GLN1020 HB1 GLN1020 6.384 17.479 -6.355 828 2HB GLN1020 HB2 GLN1020 7.402 16.262 -7.114 829 1HG GLN1020 HG1 GLN1020 7.363 17.507 -9.203 830 2HG GLN1020 HG2 GLN1020 6.301 18.710 -8.475 831 1HE2 GLN1020 2HE2 GLN1020 7.749 20.364 -8.859 832 2HE2 GLN1020 1HE2 GLN1020 9.209 20.542 -7.941 833 H MET1021 H MET1021 4.047 16.391 -5.600 834 HA MET1021 HA MET1021 4.682 13.816 -4.558 835 1HB MET1021 HB1 MET1021 3.293 14.341 -2.708 836 2HB MET1021 HB2 MET1021 4.089 15.838 -3.164 837 1HG MET1021 HG1 MET1021 1.938 16.518 -2.745 838 2HG MET1021 HG2 MET1021 1.927 16.310 -4.493 839 1HE MET1021 HE1 MET1021 -0.734 16.516 -2.787 840 2HE MET1021 HE2 MET1021 -0.727 16.259 -4.530 841 3HE MET1021 HE3 MET1021 -1.699 15.218 -3.490 842 H LEU1022 H LEU1022 2.193 15.075 -6.617 843 HA LEU1022 HA LEU1022 0.317 12.985 -6.341 844 1HB LEU1022 HB1 LEU1022 -0.007 15.241 -7.475 845 2HB LEU1022 HB2 LEU1022 0.843 14.575 -8.853 846 HG LEU1022 HG LEU1022 -1.692 14.603 -8.976 847 1HD1 LEU1022 1HD1 LEU1022 -0.294 11.958 -9.318 848 2HD1 LEU1022 2HD1 LEU1022 -1.837 12.411 -10.043 849 3HD1 LEU1022 3HD1 LEU1022 -0.364 13.265 -10.501 850 1HD2 LEU1022 1HD2 LEU1022 -2.859 12.753 -7.868 851 2HD2 LEU1022 2HD2 LEU1022 -1.376 12.349 -7.003 852 3HD2 LEU1022 3HD2 LEU1022 -2.173 13.894 -6.711 853 H THR1023 H THR1023 3.090 13.455 -8.490 854 HA THR1023 HA THR1023 2.894 11.098 -9.974 855 HB THR1023 HB THR1023 5.476 12.379 -9.063 856 HG1 THR1023 HG1 THR1023 3.465 13.294 -10.752 857 1HG2 THR1023 1HG2 THR1023 5.702 10.233 -10.239 858 2HG2 THR1023 2HG2 THR1023 4.747 10.866 -11.579 859 3HG2 THR1023 3HG2 THR1023 6.324 11.566 -11.212 860 H ALA1024 H ALA1024 4.133 11.716 -6.760 861 HA ALA1024 HA ALA1024 5.283 9.078 -6.455 862 1HB ALA1024 HB1 ALA1024 5.757 9.750 -4.167 863 2HB ALA1024 HB2 ALA1024 6.267 11.003 -5.298 864 3HB ALA1024 HB3 ALA1024 4.778 11.203 -4.375 865 H ALA1025 H ALA1025 2.379 10.796 -5.451 866 HA ALA1025 HA ALA1025 1.299 8.853 -3.749 867 1HB ALA1025 HB1 ALA1025 -0.827 9.988 -4.069 868 2HB ALA1025 HB2 ALA1025 0.478 11.158 -3.868 869 3HB ALA1025 HB3 ALA1025 -0.179 10.839 -5.472 870 H HIS1026 H HIS1026 1.209 9.184 -7.250 871 HA HIS1026 HA HIS1026 -0.670 7.075 -7.618 872 1HB HIS1026 HB1 HIS1026 -0.327 8.753 -9.376 873 2HB HIS1026 HB2 HIS1026 1.339 8.219 -9.573 874 HD1 HIS1026 HD1 HIS1026 -2.207 7.063 -10.161 875 HD2 HIS1026 HD2 HIS1026 1.685 6.010 -11.193 876 HE1 HIS1026 HE1 HIS1026 -2.426 5.267 -11.910 877 HE2 HIS1026 HE2 HIS1026 -0.066 4.514 -12.372 878 H ALA1027 H ALA1027 2.859 7.282 -7.629 879 HA ALA1027 HA ALA1027 3.362 4.580 -8.255 880 1HB ALA1027 HB1 ALA1027 5.577 4.964 -7.320 881 2HB ALA1027 HB2 ALA1027 5.086 6.327 -8.326 882 3HB ALA1027 HB3 ALA1027 5.017 6.459 -6.569 883 H LEU1028 H LEU1028 2.804 6.286 -5.254 884 HA LEU1028 HA LEU1028 3.060 4.211 -3.407 885 1HB LEU1028 HB1 LEU1028 2.859 6.458 -2.669 886 2HB LEU1028 HB2 LEU1028 1.347 6.680 -3.511 887 HG LEU1028 HG LEU1028 1.168 4.572 -1.505 888 1HD1 LEU1028 1HD1 LEU1028 2.837 5.959 -0.372 889 2HD1 LEU1028 2HD1 LEU1028 1.826 7.382 -0.619 890 3HD1 LEU1028 3HD1 LEU1028 1.268 6.074 0.423 891 1HD2 LEU1028 1HD2 LEU1028 -0.811 5.838 -0.900 892 2HD2 LEU1028 2HD2 LEU1028 -0.296 7.168 -1.936 893 3HD2 LEU1028 3HD2 LEU1028 -0.724 5.610 -2.646 894 H ALA1029 H ALA1029 0.162 5.416 -5.031 895 HA ALA1029 HA ALA1029 -1.615 3.483 -4.201 896 1HB ALA1029 HB1 ALA1029 -1.529 4.766 -6.933 897 2HB ALA1029 HB2 ALA1029 -2.922 3.957 -6.216 898 3HB ALA1029 HB3 ALA1029 -2.297 5.440 -5.496 899 H VAL1030 H VAL1030 0.643 3.346 -6.940 900 HA VAL1030 HA VAL1030 -0.005 0.757 -7.792 901 HB VAL1030 HB VAL1030 2.598 2.264 -8.057 902 1HG1 VAL1030 1HG1 VAL1030 3.097 0.719 -9.904 903 2HG1 VAL1030 2HG1 VAL1030 3.009 -0.111 -8.350 904 3HG1 VAL1030 3HG1 VAL1030 1.666 -0.222 -9.488 905 1HG2 VAL1030 1HG2 VAL1030 0.683 3.367 -9.104 906 2HG2 VAL1030 2HG2 VAL1030 1.814 2.758 -10.314 907 3HG2 VAL1030 3HG2 VAL1030 0.315 1.887 -9.991 908 H ASP1031 H ASP1031 2.084 1.818 -5.140 909 HA ASP1031 HA ASP1031 3.408 -0.717 -5.000 910 1HB ASP1031 HB1 ASP1031 4.508 0.013 -3.040 911 2HB ASP1031 HB2 ASP1031 4.426 1.397 -4.112 912 H ALA1032 H ALA1032 0.688 0.753 -3.279 913 HA ALA1032 HA ALA1032 -0.009 -1.455 -1.696 914 1HB ALA1032 HB1 ALA1032 -2.253 -0.479 -1.671 915 2HB ALA1032 HB2 ALA1032 -1.017 0.758 -1.439 916 3HB ALA1032 HB3 ALA1032 -1.810 0.587 -3.005 917 H LYS1033 H LYS1033 -1.130 -0.538 -4.987 918 HA LYS1033 HA LYS1033 -2.843 -2.756 -5.273 919 1HB LYS1033 HB1 LYS1033 -1.570 -0.960 -7.331 920 2HB LYS1033 HB2 LYS1033 -2.743 -2.206 -7.727 921 1HG LYS1033 HG1 LYS1033 -4.365 -1.077 -6.219 922 2HG LYS1033 HG2 LYS1033 -3.188 0.223 -6.007 923 1HD LYS1033 HD1 LYS1033 -3.199 0.603 -8.436 924 2HD LYS1033 HD2 LYS1033 -4.412 -0.665 -8.618 925 1HE LYS1033 HE1 LYS1033 -5.928 0.645 -7.158 926 2HE LYS1033 HE2 LYS1033 -4.725 1.934 -7.119 927 1HZ LYS1033 HZ1 LYS1033 -4.909 2.070 -9.560 928 2HZ LYS1033 HZ2 LYS1033 -6.147 0.914 -9.521 929 3HZ LYS1033 HZ3 LYS1033 -6.374 2.422 -8.779 930 H ASN1034 H ASN1034 0.564 -2.336 -5.984 931 HA ASN1034 HA ASN1034 0.795 -4.682 -7.573 932 1HB ASN1034 HB1 ASN1034 2.451 -2.760 -7.512 933 2HB ASN1034 HB2 ASN1034 3.021 -3.408 -5.975 934 1HD2 ASN1034 2HD2 ASN1034 4.212 -5.287 -5.956 935 2HD2 ASN1034 1HD2 ASN1034 4.835 -6.025 -7.383 936 H LEU1035 H LEU1035 1.040 -4.008 -4.124 937 HA LEU1035 HA LEU1035 1.973 -6.676 -3.499 938 1HB LEU1035 HB1 LEU1035 2.567 -4.775 -2.043 939 2HB LEU1035 HB2 LEU1035 0.864 -4.547 -1.655 940 HG LEU1035 HG LEU1035 0.994 -7.027 -0.843 941 1HD1 LEU1035 1HD1 LEU1035 3.888 -6.217 -0.703 942 2HD1 LEU1035 2HD1 LEU1035 3.176 -7.641 0.054 943 3HD1 LEU1035 3HD1 LEU1035 3.208 -7.501 -1.704 944 1HD2 LEU1035 1HD2 LEU1035 2.272 -4.784 0.703 945 2HD2 LEU1035 2HD2 LEU1035 0.550 -5.157 0.629 946 3HD2 LEU1035 3HD2 LEU1035 1.668 -6.292 1.387 947 H LEU1036 H LEU1036 -1.126 -5.111 -3.895 948 HA LEU1036 HA LEU1036 -2.700 -6.920 -2.452 949 1HB LEU1036 HB1 LEU1036 -4.535 -5.947 -3.410 950 2HB LEU1036 HB2 LEU1036 -3.356 -4.701 -3.735 951 HG LEU1036 HG LEU1036 -3.143 -5.856 -6.068 952 1HD1 LEU1036 1HD1 LEU1036 -5.213 -6.908 -6.830 953 2HD1 LEU1036 2HD1 LEU1036 -4.467 -7.846 -5.537 954 3HD1 LEU1036 3HD1 LEU1036 -5.865 -6.826 -5.194 955 1HD2 LEU1036 1HD2 LEU1036 -5.620 -4.321 -5.290 956 2HD2 LEU1036 2HD2 LEU1036 -4.045 -3.614 -5.654 957 3HD2 LEU1036 3HD2 LEU1036 -4.946 -4.459 -6.913 958 H ASP1037 H ASP1037 -1.514 -6.942 -5.710 959 HA ASP1037 HA ASP1037 -2.536 -9.511 -6.409 960 1HB ASP1037 HB1 ASP1037 -2.005 -7.753 -8.066 961 2HB ASP1037 HB2 ASP1037 -0.301 -7.892 -7.651 962 H VAL1038 H VAL1038 0.220 -8.347 -4.734 963 HA VAL1038 HA VAL1038 1.880 -10.671 -5.051 964 HB VAL1038 HB VAL1038 1.977 -8.236 -3.293 965 1HG1 VAL1038 1HG1 VAL1038 2.767 -10.061 -1.902 966 2HG1 VAL1038 2HG1 VAL1038 3.864 -10.584 -3.180 967 3HG1 VAL1038 3HG1 VAL1038 4.111 -9.027 -2.386 968 1HG2 VAL1038 1HG2 VAL1038 2.675 -7.995 -5.606 969 2HG2 VAL1038 2HG2 VAL1038 4.056 -7.835 -4.524 970 3HG2 VAL1038 3HG2 VAL1038 3.809 -9.333 -5.421 971 H ILE1039 H ILE1039 -0.210 -9.427 -2.467 972 HA ILE1039 HA ILE1039 0.352 -11.779 -0.867 973 HB ILE1039 HB ILE1039 -0.954 -10.652 0.921 974 1HG1 ILE1039 1HG1 ILE1039 -1.054 -8.432 -1.126 975 2HG1 ILE1039 2HG1 ILE1039 -2.412 -9.213 -0.323 976 1HG2 ILE1039 1HG2 ILE1039 1.455 -10.514 0.848 977 2HG2 ILE1039 2HG2 ILE1039 1.370 -9.142 -0.256 978 3HG2 ILE1039 3HG2 ILE1039 0.785 -8.978 1.399 979 1HD1 ILE1039 1HD1 ILE1039 -0.362 -7.433 0.968 980 2HD1 ILE1039 2HD1 ILE1039 -2.033 -7.015 0.594 981 3HD1 ILE1039 3HD1 ILE1039 -1.683 -8.245 1.808 982 H ASP1040 H ASP1040 -2.492 -10.292 -2.469 983 HA ASP1040 HA ASP1040 -4.315 -12.319 -1.898 984 1HB ASP1040 HB1 ASP1040 -5.252 -10.745 -3.322 985 2HB ASP1040 HB2 ASP1040 -3.829 -10.684 -4.357 986 H GLN1041 H GLN1041 -1.776 -12.239 -4.339 987 HA GLN1041 HA GLN1041 -2.102 -15.014 -4.968 988 1HB GLN1041 HB1 GLN1041 -0.004 -13.024 -5.747 989 2HB GLN1041 HB2 GLN1041 0.151 -14.738 -6.122 990 1HG GLN1041 HG1 GLN1041 -1.993 -14.643 -7.328 991 2HG GLN1041 HG2 GLN1041 -2.081 -12.914 -7.005 992 1HE2 GLN1041 2HE2 GLN1041 0.773 -12.517 -7.359 993 2HE2 GLN1041 1HE2 GLN1041 1.069 -12.611 -9.060 994 H ALA1042 H ALA1042 -0.087 -13.230 -2.657 995 HA ALA1042 HA ALA1042 1.477 -15.287 -1.746 996 1HB ALA1042 HB1 ALA1042 1.295 -14.306 0.477 997 2HB ALA1042 HB2 ALA1042 1.491 -13.061 -0.757 998 3HB ALA1042 HB3 ALA1042 -0.098 -13.362 -0.053 999 H ARG1043 H ARG1043 -1.834 -14.571 -0.690 1000 HA ARG1043 HA ARG1043 -2.309 -16.967 0.661 1001 1HB ARG1043 HB1 ARG1043 -3.830 -14.718 -0.177 1002 2HB ARG1043 HB2 ARG1043 -4.713 -16.165 -0.638 1003 1HG ARG1043 HG1 ARG1043 -5.401 -15.406 1.549 1004 2HG ARG1043 HG2 ARG1043 -4.601 -16.973 1.659 1005 1HD ARG1043 HD1 ARG1043 -2.692 -16.063 2.641 1006 2HD ARG1043 HD2 ARG1043 -3.068 -14.433 2.080 1007 HE ARG1043 HE ARG1043 -5.076 -14.734 3.698 1008 1HH1 ARG1043 2HH1 ARG1043 -1.838 -15.945 4.277 1009 2HH1 ARG1043 1HH1 ARG1043 -1.959 -15.772 6.000 1010 1HH2 ARG1043 2HH2 ARG1043 -5.238 -14.519 5.945 1011 2HH2 ARG1043 1HH2 ARG1043 -3.878 -14.969 6.945 1012 H LEU1044 H LEU1044 -2.355 -16.265 -2.771 1013 HA LEU1044 HA LEU1044 -3.387 -18.845 -3.509 1014 1HB LEU1044 HB1 LEU1044 -1.987 -16.718 -5.115 1015 2HB LEU1044 HB2 LEU1044 -2.589 -18.211 -5.803 1016 HG LEU1044 HG LEU1044 -4.263 -16.071 -4.485 1017 1HD1 LEU1044 1HD1 LEU1044 -5.120 -15.685 -6.734 1018 2HD1 LEU1044 2HD1 LEU1044 -3.378 -15.411 -6.664 1019 3HD1 LEU1044 3HD1 LEU1044 -4.009 -16.897 -7.373 1020 1HD2 LEU1044 1HD2 LEU1044 -5.181 -18.311 -4.139 1021 2HD2 LEU1044 2HD2 LEU1044 -6.173 -17.379 -5.262 1022 3HD2 LEU1044 3HD2 LEU1044 -5.080 -18.622 -5.872 1023 H LYS1045 H LYS1045 -0.233 -17.516 -2.828 1024 HA LYS1045 HA LYS1045 1.376 -19.613 -3.798 1025 1HB LYS1045 HB1 LYS1045 1.740 -17.937 -1.297 1026 2HB LYS1045 HB2 LYS1045 2.973 -18.959 -2.014 1027 1HG LYS1045 HG1 LYS1045 1.741 -16.526 -3.257 1028 2HG LYS1045 HG2 LYS1045 3.344 -16.646 -2.529 1029 1HD LYS1045 HD1 LYS1045 3.984 -18.302 -4.216 1030 2HD LYS1045 HD2 LYS1045 2.383 -18.180 -4.946 1031 1HE LYS1045 HE1 LYS1045 4.334 -15.902 -4.666 1032 2HE LYS1045 HE2 LYS1045 4.110 -16.856 -6.130 1033 1HZ LYS1045 HZ1 LYS1045 1.984 -15.255 -4.818 1034 2HZ LYS1045 HZ2 LYS1045 2.889 -14.738 -6.157 1035 3HZ LYS1045 HZ3 LYS1045 1.858 -16.081 -6.292 1036 H MET1046 H MET1046 -0.514 -19.128 -0.927 1037 HA MET1046 HA MET1046 0.238 -21.538 0.385 1038 1HB MET1046 HB1 MET1046 -0.820 -19.650 1.558 1039 2HB MET1046 HB2 MET1046 -2.298 -19.919 0.649 1040 1HG MET1046 HG1 MET1046 -1.152 -22.135 2.261 1041 2HG MET1046 HG2 MET1046 -2.030 -20.839 3.075 1042 1HE MET1046 HE1 MET1046 -3.696 -22.719 4.030 1043 2HE MET1046 HE2 MET1046 -4.595 -23.836 3.004 1044 3HE MET1046 HE3 MET1046 -2.842 -23.976 3.137 1045 H ILE1047 H ILE1047 -2.386 -20.657 -1.815 1046 HA ILE1047 HA ILE1047 -3.608 -23.170 -2.045 1047 HB ILE1047 HB ILE1047 -3.285 -20.992 -4.117 1048 1HG1 ILE1047 1HG1 ILE1047 -4.497 -20.266 -2.129 1049 2HG1 ILE1047 2HG1 ILE1047 -5.601 -20.409 -3.490 1050 1HG2 ILE1047 1HG2 ILE1047 -5.146 -23.362 -4.139 1051 2HG2 ILE1047 2HG2 ILE1047 -5.157 -22.030 -5.295 1052 3HG2 ILE1047 3HG2 ILE1047 -3.766 -23.109 -5.208 1053 1HD1 ILE1047 1HD1 ILE1047 -6.602 -21.265 -1.456 1054 2HD1 ILE1047 2HD1 ILE1047 -6.376 -22.559 -2.633 1055 3HD1 ILE1047 3HD1 ILE1047 -5.272 -22.408 -1.266 1056 H SER1048 H SER1048 -0.809 -21.755 -3.627 1057 HA SER1048 HA SER1048 -0.250 -23.827 -5.450 1058 1HB SER1048 HB1 SER1048 1.654 -21.854 -4.132 1059 2HB SER1048 HB2 SER1048 1.997 -22.804 -5.584 1060 HG SER1048 HG SER1048 -0.180 -20.987 -5.370 1061 H GLN1049 H GLN1049 0.763 -23.236 -2.124 1062 HA GLN1049 HA GLN1049 2.564 -25.442 -2.000 1063 1HB GLN1049 HB1 GLN1049 2.742 -23.425 -0.560 1064 2HB GLN1049 HB2 GLN1049 1.258 -23.905 0.253 1065 1HG GLN1049 HG1 GLN1049 3.140 -24.532 1.598 1066 2HG GLN1049 HG2 GLN1049 2.361 -25.986 0.975 1067 1HE2 GLN1049 2HE2 GLN1049 4.411 -23.899 -0.933 1068 2HE2 GLN1049 1HE2 GLN1049 5.722 -25.014 -1.103 1069 H SER1050 H SER1050 -0.759 -24.892 -0.896 1070 HA SER1050 HA SER1050 -1.042 -27.395 0.400 1071 1HB SER1050 HB1 SER1050 -2.449 -25.396 0.886 1072 2HB SER1050 HB2 SER1050 -3.221 -25.589 -0.688 1073 HG SER1050 HG SER1050 -3.308 -27.334 1.547 1074 H ARG1051 H ARG1051 -1.641 -26.275 -2.866 1075 HA ARG1051 HA ARG1051 -2.128 -27.326 -4.806 1076 1HB ARG1051 HB1 ARG1051 -1.201 -29.733 -3.243 1077 2HB ARG1051 HB2 ARG1051 -1.683 -29.826 -4.929 1078 1HG ARG1051 HG1 ARG1051 0.469 -27.965 -3.969 1079 2HG ARG1051 HG2 ARG1051 0.790 -29.628 -4.459 1080 1HD ARG1051 HD1 ARG1051 -0.562 -27.569 -6.195 1081 2HD ARG1051 HD2 ARG1051 1.159 -27.943 -6.259 1082 HE ARG1051 HE ARG1051 -0.910 -29.980 -6.804 1083 1HH1 ARG1051 2HH1 ARG1051 1.977 -28.233 -7.715 1084 2HH1 ARG1051 1HH1 ARG1051 2.362 -29.290 -9.043 1085 1HH2 ARG1051 2HH2 ARG1051 -0.411 -31.389 -8.557 1086 2HH2 ARG1051 1HH2 ARG1051 1.019 -31.092 -9.500 1087 HA PRO1052 HA PRO1052 -6.356 -28.583 -3.642 1088 1HB PRO1052 HB1 PRO1052 -7.621 -26.991 -5.398 1089 2HB PRO1052 HB2 PRO1052 -7.030 -26.381 -3.848 1090 1HG PRO1052 HG1 PRO1052 -5.827 -26.110 -6.574 1091 2HG PRO1052 HG2 PRO1052 -5.939 -24.910 -5.275 1092 1HD PRO1052 HD1 PRO1052 -3.687 -26.389 -5.828 1093 2HD PRO1052 HD2 PRO1052 -4.050 -25.679 -4.244 1094 H HIS1053 H HIS1053 -4.340 -28.761 -6.293 1095 HA HIS1053 HA HIS1053 -5.851 -30.944 -7.440 1096 1HB HIS1053 HB1 HIS1053 -5.289 -29.997 -9.792 1097 2HB HIS1053 HB2 HIS1053 -6.698 -29.380 -8.944 1098 HD1 HIS1053 HD1 HIS1053 -3.134 -28.389 -9.783 1099 HD2 HIS1053 HD2 HIS1053 -6.716 -26.688 -8.539 1100 HE1 HIS1053 HE1 HIS1053 -2.778 -25.903 -9.896 1101 HE2 HIS1053 HE2 HIS1053 -5.033 -24.903 -9.350 Start of MODEL 6 1 1H ARG 920 H ARG 920 -7.187 -20.463 -3.100 2 HA ARG 920 HA ARG 920 -8.580 -19.881 -0.615 3 1HB ARG 920 HB1 ARG 920 -6.027 -19.949 -0.832 4 2HB ARG 920 HB2 ARG 920 -6.173 -18.424 -1.695 5 1HG ARG 920 HG1 ARG 920 -5.712 -17.822 0.505 6 2HG ARG 920 HG2 ARG 920 -7.454 -17.584 0.336 7 1HD ARG 920 HD1 ARG 920 -7.595 -20.027 1.217 8 2HD ARG 920 HD2 ARG 920 -5.956 -19.721 1.797 9 HE ARG 920 HE ARG 920 -8.177 -17.926 2.533 10 1HH1 ARG 920 2HH1 ARG 920 -5.567 -20.078 3.474 11 2HH1 ARG 920 1HH1 ARG 920 -5.762 -19.773 5.171 12 1HH2 ARG 920 2HH2 ARG 920 -8.436 -17.549 4.786 13 2HH2 ARG 920 1HH2 ARG 920 -7.372 -18.350 5.910 14 H SER 921 H SER 921 -9.916 -18.215 -0.365 15 HA SER 921 HA SER 921 -10.625 -16.648 -2.689 16 1HB SER 921 HB1 SER 921 -11.759 -16.666 0.107 17 2HB SER 921 HB2 SER 921 -12.498 -15.909 -1.304 18 HG SER 921 HG SER 921 -13.110 -17.819 -2.032 19 H ASN 922 H ASN 922 -8.045 -16.188 -1.303 20 HA ASN 922 HA ASN 922 -6.646 -14.501 -0.729 21 1HB ASN 922 HB1 ASN 922 -8.357 -12.445 -1.983 22 2HB ASN 922 HB2 ASN 922 -6.636 -12.747 -2.172 23 1HD2 ASN 922 2HD2 ASN 922 -5.972 -14.541 -3.483 24 2HD2 ASN 922 1HD2 ASN 922 -6.971 -15.052 -4.796 25 H ASP 923 H ASP 923 -7.427 -14.934 1.331 26 HA ASP 923 HA ASP 923 -9.209 -13.655 2.931 27 1HB ASP 923 HB1 ASP 923 -7.767 -15.617 3.459 28 2HB ASP 923 HB2 ASP 923 -6.406 -14.526 3.664 29 H LYS 924 H LYS 924 -8.134 -12.389 4.959 30 HA LYS 924 HA LYS 924 -8.110 -9.778 4.779 31 1HB LYS 924 HB1 LYS 924 -7.210 -11.571 6.642 32 2HB LYS 924 HB2 LYS 924 -5.761 -10.634 6.316 33 1HG LYS 924 HG1 LYS 924 -8.415 -9.511 7.198 34 2HG LYS 924 HG2 LYS 924 -7.003 -9.759 8.224 35 1HD LYS 924 HD1 LYS 924 -5.754 -8.238 6.638 36 2HD LYS 924 HD2 LYS 924 -7.318 -7.845 5.925 37 1HE LYS 924 HE1 LYS 924 -6.551 -7.458 8.812 38 2HE LYS 924 HE2 LYS 924 -6.607 -6.193 7.588 39 1HZ LYS 924 HZ1 LYS 924 -8.897 -7.763 8.646 40 2HZ LYS 924 HZ2 LYS 924 -8.601 -6.110 8.852 41 3HZ LYS 924 HZ3 LYS 924 -9.008 -6.709 7.321 42 H VAL 925 H VAL 925 -5.453 -11.657 3.467 43 HA VAL 925 HA VAL 925 -3.563 -9.664 3.058 44 HB VAL 925 HB VAL 925 -2.899 -11.077 1.029 45 1HG1 VAL 925 1HG1 VAL 925 -1.986 -12.846 2.454 46 2HG1 VAL 925 2HG1 VAL 925 -1.826 -11.266 3.217 47 3HG1 VAL 925 3HG1 VAL 925 -3.088 -12.378 3.749 48 1HG2 VAL 925 1HG2 VAL 925 -5.050 -12.096 0.581 49 2HG2 VAL 925 2HG2 VAL 925 -3.864 -13.338 0.978 50 3HG2 VAL 925 3HG2 VAL 925 -5.056 -12.842 2.179 51 H TYR 926 H TYR 926 -6.212 -10.700 0.788 52 HA TYR 926 HA TYR 926 -5.487 -8.549 -1.059 53 1HB TYR 926 HB1 TYR 926 -6.394 -10.561 -1.995 54 2HB TYR 926 HB2 TYR 926 -7.772 -10.544 -0.905 55 HD1 TYR 926 HD1 TYR 926 -6.258 -8.129 -3.349 56 HD2 TYR 926 HD2 TYR 926 -9.745 -10.116 -1.939 57 HE1 TYR 926 HE1 TYR 926 -7.603 -6.962 -5.048 58 HE2 TYR 926 HE2 TYR 926 -11.099 -8.952 -3.633 59 HH TYR 926 HH TYR 926 -11.030 -6.963 -4.996 60 H GLU 927 H GLU 927 -7.563 -9.075 1.641 61 HA GLU 927 HA GLU 927 -9.466 -7.039 1.224 62 1HB GLU 927 HB1 GLU 927 -8.545 -8.616 3.596 63 2HB GLU 927 HB2 GLU 927 -9.679 -7.292 3.805 64 1HG GLU 927 HG1 GLU 927 -11.195 -8.384 2.194 65 2HG GLU 927 HG2 GLU 927 -10.065 -9.735 2.091 66 H ASN 928 H ASN 928 -6.685 -7.087 3.488 67 HA ASN 928 HA ASN 928 -7.141 -4.367 4.236 68 1HB ASN 928 HB1 ASN 928 -6.040 -6.252 5.623 69 2HB ASN 928 HB2 ASN 928 -4.570 -5.835 4.756 70 1HD2 ASN 928 2HD2 ASN 928 -5.192 -2.961 4.676 71 2HD2 ASN 928 1HD2 ASN 928 -4.956 -2.383 6.289 72 H VAL 929 H VAL 929 -4.894 -5.949 2.003 73 HA VAL 929 HA VAL 929 -3.350 -3.699 1.445 74 HB VAL 929 HB VAL 929 -2.834 -5.989 0.639 75 1HG1 VAL 929 1HG1 VAL 929 -3.835 -6.742 -1.470 76 2HG1 VAL 929 2HG1 VAL 929 -5.012 -6.640 -0.161 77 3HG1 VAL 929 3HG1 VAL 929 -4.962 -5.387 -1.402 78 1HG2 VAL 929 1HG2 VAL 929 -2.872 -3.805 -1.438 79 2HG2 VAL 929 2HG2 VAL 929 -1.627 -4.078 -0.219 80 3HG2 VAL 929 3HG2 VAL 929 -1.876 -5.261 -1.504 81 H THR 930 H THR 930 -6.545 -4.608 0.217 82 HA THR 930 HA THR 930 -6.843 -2.448 -1.575 83 HB THR 930 HB THR 930 -8.979 -3.763 0.134 84 HG1 THR 930 HG1 THR 930 -8.045 -5.324 -1.176 85 1HG2 THR 930 1HG2 THR 930 -10.550 -2.957 -1.548 86 2HG2 THR 930 2HG2 THR 930 -9.675 -1.606 -0.828 87 3HG2 THR 930 3HG2 THR 930 -9.233 -2.186 -2.433 88 H GLY 931 H GLY 931 -7.342 -2.817 1.869 89 1HA GLY 931 HA1 GLY 931 -8.194 -0.250 2.564 90 2HA GLY 931 HA2 GLY 931 -7.266 -1.317 3.606 91 H LEU 932 H LEU 932 -4.973 -1.372 1.690 92 HA LEU 932 HA LEU 932 -3.543 0.895 2.588 93 1HB LEU 932 HB1 LEU 932 -2.377 -1.111 2.100 94 2HB LEU 932 HB2 LEU 932 -3.086 -1.221 0.502 95 HG LEU 932 HG LEU 932 -1.666 0.542 -0.315 96 1HD1 LEU 932 1HD1 LEU 932 -1.597 1.987 1.632 97 2HD1 LEU 932 2HD1 LEU 932 -0.641 0.788 2.504 98 3HD1 LEU 932 3HD1 LEU 932 0.036 1.596 1.090 99 1HD2 LEU 932 1HD2 LEU 932 -0.116 -1.431 1.355 100 2HD2 LEU 932 2HD2 LEU 932 -0.743 -1.710 -0.268 101 3HD2 LEU 932 3HD2 LEU 932 0.524 -0.511 -0.006 102 H VAL 933 H VAL 933 -5.318 0.099 -0.330 103 HA VAL 933 HA VAL 933 -4.760 2.587 -1.639 104 HB VAL 933 HB VAL 933 -6.970 0.589 -2.169 105 1HG1 VAL 933 1HG1 VAL 933 -5.908 2.829 -3.891 106 2HG1 VAL 933 2HG1 VAL 933 -7.106 1.631 -4.384 107 3HG1 VAL 933 3HG1 VAL 933 -7.484 2.781 -3.100 108 1HG2 VAL 933 1HG2 VAL 933 -4.271 0.911 -3.487 109 2HG2 VAL 933 2HG2 VAL 933 -4.739 -0.392 -2.393 110 3HG2 VAL 933 3HG2 VAL 933 -5.527 -0.234 -3.962 111 H LYS 934 H LYS 934 -7.352 1.314 0.388 112 HA LYS 934 HA LYS 934 -9.194 3.387 0.173 113 1HB LYS 934 HB1 LYS 934 -8.609 1.784 2.666 114 2HB LYS 934 HB2 LYS 934 -10.080 2.675 2.325 115 1HG LYS 934 HG1 LYS 934 -9.094 0.286 0.787 116 2HG LYS 934 HG2 LYS 934 -10.342 0.259 2.032 117 1HD LYS 934 HD1 LYS 934 -11.654 0.369 0.160 118 2HD LYS 934 HD2 LYS 934 -11.440 2.091 0.479 119 1HE LYS 934 HE1 LYS 934 -9.653 2.204 -1.154 120 2HE LYS 934 HE2 LYS 934 -9.757 0.464 -1.427 121 1HZ LYS 934 HZ1 LYS 934 -10.921 1.655 -3.159 122 2HZ LYS 934 HZ2 LYS 934 -12.037 0.784 -2.226 123 3HZ LYS 934 HZ3 LYS 934 -11.884 2.463 -2.020 124 H ALA 935 H ALA 935 -6.334 3.099 2.201 125 HA ALA 935 HA ALA 935 -6.942 5.504 3.636 126 1HB ALA 935 HB1 ALA 935 -4.841 5.180 4.768 127 2HB ALA 935 HB2 ALA 935 -5.770 3.682 4.726 128 3HB ALA 935 HB3 ALA 935 -4.408 3.906 3.630 129 H VAL 936 H VAL 936 -5.031 4.719 0.775 130 HA VAL 936 HA VAL 936 -4.041 7.417 0.681 131 HB VAL 936 HB VAL 936 -2.761 5.646 -0.436 132 1HG1 VAL 936 1HG1 VAL 936 -4.993 5.583 -2.463 133 2HG1 VAL 936 2HG1 VAL 936 -3.472 4.694 -2.541 134 3HG1 VAL 936 3HG1 VAL 936 -4.649 4.319 -1.283 135 1HG2 VAL 936 1HG2 VAL 936 -3.760 7.803 -2.288 136 2HG2 VAL 936 2HG2 VAL 936 -2.435 7.933 -1.131 137 3HG2 VAL 936 3HG2 VAL 936 -2.290 6.855 -2.519 138 H ILE 937 H ILE 937 -6.948 5.799 -0.108 139 HA ILE 937 HA ILE 937 -8.094 7.969 -1.575 140 HB ILE 937 HB ILE 937 -9.449 5.806 0.052 141 1HG1 ILE 937 1HG1 ILE 937 -8.258 4.920 -1.879 142 2HG1 ILE 937 2HG1 ILE 937 -9.993 4.850 -2.169 143 1HG2 ILE 937 1HG2 ILE 937 -10.668 7.783 -1.874 144 2HG2 ILE 937 2HG2 ILE 937 -11.514 6.455 -1.080 145 3HG2 ILE 937 3HG2 ILE 937 -10.867 7.787 -0.122 146 1HD1 ILE 937 1HD1 ILE 937 -9.837 6.855 -3.553 147 2HD1 ILE 937 2HD1 ILE 937 -8.097 6.913 -3.263 148 3HD1 ILE 937 3HD1 ILE 937 -8.798 5.561 -4.152 149 H GLU 938 H GLU 938 -8.007 7.001 1.852 150 HA GLU 938 HA GLU 938 -9.152 9.209 3.062 151 1HB GLU 938 HB1 GLU 938 -6.559 7.856 3.863 152 2HB GLU 938 HB2 GLU 938 -7.467 8.960 4.883 153 1HG GLU 938 HG1 GLU 938 -8.543 6.352 3.828 154 2HG GLU 938 HG2 GLU 938 -7.825 6.567 5.424 155 H MET 939 H MET 939 -5.912 8.817 1.773 156 HA MET 939 HA MET 939 -4.871 11.309 2.465 157 1HB MET 939 HB1 MET 939 -3.657 9.264 1.527 158 2HB MET 939 HB2 MET 939 -4.182 9.806 -0.061 159 1HG MET 939 HG1 MET 939 -3.050 12.018 0.538 160 2HG MET 939 HG2 MET 939 -2.274 11.112 1.835 161 1HE MET 939 HE1 MET 939 -3.261 10.124 -1.854 162 2HE MET 939 HE2 MET 939 -2.568 11.741 -1.981 163 3HE MET 939 HE3 MET 939 -1.717 10.361 -2.674 164 H SER 940 H SER 940 -6.798 10.266 -0.273 165 HA SER 940 HA SER 940 -6.629 12.736 -1.688 166 1HB SER 940 HB1 SER 940 -8.607 10.460 -1.958 167 2HB SER 940 HB2 SER 940 -8.372 11.768 -3.118 168 HG SER 940 HG SER 940 -6.499 9.761 -2.373 169 H SER 941 H SER 941 -8.869 11.388 0.679 170 HA SER 941 HA SER 941 -10.889 13.393 0.173 171 1HB SER 941 HB1 SER 941 -10.671 11.368 2.419 172 2HB SER 941 HB2 SER 941 -12.106 12.304 1.994 173 HG SER 941 HG SER 941 -10.913 10.145 0.653 174 H LYS 942 H LYS 942 -8.535 12.578 2.595 175 HA LYS 942 HA LYS 942 -9.099 14.519 4.507 176 1HB LYS 942 HB1 LYS 942 -7.506 12.388 4.412 177 2HB LYS 942 HB2 LYS 942 -6.297 13.600 4.031 178 1HG LYS 942 HG1 LYS 942 -8.052 13.738 6.463 179 2HG LYS 942 HG2 LYS 942 -6.473 12.948 6.439 180 1HD LYS 942 HD1 LYS 942 -5.416 15.022 5.798 181 2HD LYS 942 HD2 LYS 942 -6.988 15.823 5.720 182 1HE LYS 942 HE1 LYS 942 -5.643 14.685 8.174 183 2HE LYS 942 HE2 LYS 942 -5.905 16.389 7.804 184 1HZ LYS 942 HZ1 LYS 942 -7.576 15.737 9.329 185 2HZ LYS 942 HZ2 LYS 942 -8.334 15.881 7.820 186 3HZ LYS 942 HZ3 LYS 942 -7.962 14.347 8.435 187 H ILE 943 H ILE 943 -7.159 14.644 1.555 188 HA ILE 943 HA ILE 943 -6.007 17.199 2.185 189 HB ILE 943 HB ILE 943 -4.860 15.570 0.669 190 1HG1 ILE 943 1HG1 ILE 943 -5.452 18.318 -0.446 191 2HG1 ILE 943 2HG1 ILE 943 -4.163 17.894 0.674 192 1HG2 ILE 943 1HG2 ILE 943 -6.780 14.794 -0.595 193 2HG2 ILE 943 2HG2 ILE 943 -6.980 16.398 -1.303 194 3HG2 ILE 943 3HG2 ILE 943 -5.544 15.444 -1.672 195 1HD1 ILE 943 1HD1 ILE 943 -4.402 16.966 -2.179 196 2HD1 ILE 943 2HD1 ILE 943 -3.307 18.207 -1.569 197 3HD1 ILE 943 3HD1 ILE 943 -3.112 16.530 -1.057 198 H GLN 944 H GLN 944 -8.920 16.097 0.624 199 HA GLN 944 HA GLN 944 -9.564 18.248 -0.971 200 1HB GLN 944 HB1 GLN 944 -11.443 16.621 0.745 201 2HB GLN 944 HB2 GLN 944 -11.952 17.717 -0.531 202 1HG GLN 944 HG1 GLN 944 -10.257 15.255 -0.877 203 2HG GLN 944 HG2 GLN 944 -11.961 15.420 -1.296 204 1HE2 GLN 944 2HE2 GLN 944 -9.577 14.796 -2.922 205 2HE2 GLN 944 1HE2 GLN 944 -9.571 15.955 -4.210 206 HA PRO 945 HA PRO 945 -10.933 20.941 2.604 207 1HB PRO 945 HB1 PRO 945 -11.672 19.993 4.980 208 2HB PRO 945 HB2 PRO 945 -12.694 19.751 3.557 209 1HG PRO 945 HG1 PRO 945 -10.994 17.810 5.009 210 2HG PRO 945 HG2 PRO 945 -12.454 17.528 4.048 211 1HD PRO 945 HD1 PRO 945 -9.711 17.245 3.246 212 2HD PRO 945 HD2 PRO 945 -11.170 16.950 2.283 213 H ALA 946 H ALA 946 -8.157 19.822 2.434 214 HA ALA 946 HA ALA 946 -7.205 20.142 5.192 215 1HB ALA 946 HB1 ALA 946 -6.602 18.048 4.124 216 2HB ALA 946 HB2 ALA 946 -5.808 18.929 2.819 217 3HB ALA 946 HB3 ALA 946 -5.167 19.017 4.459 218 HA PRO 947 HA PRO 947 -4.777 23.768 3.998 219 1HB PRO 947 HB1 PRO 947 -4.056 24.347 6.539 220 2HB PRO 947 HB2 PRO 947 -5.622 24.839 5.884 221 1HG PRO 947 HG1 PRO 947 -4.951 22.527 7.658 222 2HG PRO 947 HG2 PRO 947 -6.332 23.635 7.736 223 1HD PRO 947 HD1 PRO 947 -6.464 21.131 6.648 224 2HD PRO 947 HD2 PRO 947 -7.510 22.474 6.151 225 HA PRO 948 HA PRO 948 -0.764 21.920 3.884 226 1HB PRO 948 HB1 PRO 948 0.772 23.525 5.616 227 2HB PRO 948 HB2 PRO 948 0.579 23.737 3.874 228 1HG PRO 948 HG1 PRO 948 -0.812 25.107 6.119 229 2HG PRO 948 HG2 PRO 948 -0.364 25.732 4.522 230 1HD PRO 948 HD1 PRO 948 -2.900 25.109 5.114 231 2HD PRO 948 HD2 PRO 948 -2.226 24.798 3.499 232 H GLU 949 H GLU 949 -1.672 22.902 7.110 233 HA GLU 949 HA GLU 949 -0.027 21.198 8.585 234 1HB GLU 949 HB1 GLU 949 -2.732 22.343 9.250 235 2HB GLU 949 HB2 GLU 949 -1.636 21.615 10.417 236 1HG GLU 949 HG1 GLU 949 0.021 23.334 9.939 237 2HG GLU 949 HG2 GLU 949 -1.072 24.063 8.764 238 H GLU 950 H GLU 950 -2.942 20.545 6.820 239 HA GLU 950 HA GLU 950 -3.240 17.962 8.197 240 1HB GLU 950 HB1 GLU 950 -5.103 19.301 6.244 241 2HB GLU 950 HB2 GLU 950 -5.388 17.766 7.056 242 1HG GLU 950 HG1 GLU 950 -5.050 20.412 8.460 243 2HG GLU 950 HG2 GLU 950 -6.603 19.679 8.063 244 H TYR 951 H TYR 951 -2.101 19.362 5.288 245 HA TYR 951 HA TYR 951 -2.383 17.269 3.476 246 1HB TYR 951 HB1 TYR 951 -0.232 19.309 3.911 247 2HB TYR 951 HB2 TYR 951 0.011 18.030 2.735 248 HD1 TYR 951 HD1 TYR 951 -0.767 18.269 0.575 249 HD2 TYR 951 HD2 TYR 951 -2.297 20.819 3.601 250 HE1 TYR 951 HE1 TYR 951 -1.833 19.647 -1.141 251 HE2 TYR 951 HE2 TYR 951 -3.383 22.202 1.891 252 HH TYR 951 HH TYR 951 -3.034 22.714 -0.547 253 H VAL 952 H VAL 952 0.206 17.818 5.880 254 HA VAL 952 HA VAL 952 1.457 15.357 5.233 255 HB VAL 952 HB VAL 952 3.003 16.770 6.121 256 1HG1 VAL 952 1HG1 VAL 952 1.601 18.498 6.993 257 2HG1 VAL 952 2HG1 VAL 952 1.080 17.472 8.331 258 3HG1 VAL 952 3HG1 VAL 952 2.751 18.031 8.244 259 1HG2 VAL 952 1HG2 VAL 952 2.223 15.107 8.515 260 2HG2 VAL 952 2HG2 VAL 952 3.222 14.575 7.163 261 3HG2 VAL 952 3HG2 VAL 952 3.798 15.852 8.234 262 HA PRO 953 HA PRO 953 -1.031 13.456 9.049 263 1HB PRO 953 HB1 PRO 953 -3.424 15.145 8.575 264 2HB PRO 953 HB2 PRO 953 -2.862 14.398 10.081 265 1HG PRO 953 HG1 PRO 953 -2.510 16.985 9.704 266 2HG PRO 953 HG2 PRO 953 -1.202 16.007 10.400 267 1HD PRO 953 HD1 PRO 953 -1.509 17.053 7.608 268 2HD PRO 953 HD2 PRO 953 -0.052 16.954 8.618 269 H MET 954 H MET 954 -2.534 14.881 6.191 270 HA MET 954 HA MET 954 -4.298 12.774 5.614 271 1HB MET 954 HB1 MET 954 -4.873 14.554 4.348 272 2HB MET 954 HB2 MET 954 -3.232 15.164 4.284 273 1HG MET 954 HG1 MET 954 -3.777 12.777 2.666 274 2HG MET 954 HG2 MET 954 -4.599 14.253 2.170 275 1HE MET 954 HE1 MET 954 -2.918 13.230 -0.044 276 2HE MET 954 HE2 MET 954 -3.497 14.895 -0.057 277 3HE MET 954 HE3 MET 954 -1.811 14.547 -0.437 278 H VAL 955 H VAL 955 -1.124 13.522 4.229 279 HA VAL 955 HA VAL 955 -0.704 11.065 3.022 280 HB VAL 955 HB VAL 955 0.800 13.308 3.200 281 1HG1 VAL 955 1HG1 VAL 955 2.981 12.721 4.148 282 2HG1 VAL 955 2HG1 VAL 955 1.714 12.841 5.369 283 3HG1 VAL 955 3HG1 VAL 955 2.269 11.257 4.827 284 1HG2 VAL 955 1HG2 VAL 955 2.435 12.129 1.838 285 2HG2 VAL 955 2HG2 VAL 955 1.769 10.584 2.365 286 3HG2 VAL 955 3HG2 VAL 955 0.790 11.682 1.391 287 H LYS 956 H LYS 956 -0.587 11.850 6.391 288 HA LYS 956 HA LYS 956 0.927 9.592 7.246 289 1HB LYS 956 HB1 LYS 956 0.423 11.591 8.673 290 2HB LYS 956 HB2 LYS 956 -1.244 11.046 8.771 291 1HG LYS 956 HG1 LYS 956 -0.208 8.843 9.665 292 2HG LYS 956 HG2 LYS 956 1.207 9.846 9.984 293 1HD LYS 956 HD1 LYS 956 0.009 9.907 11.989 294 2HD LYS 956 HD2 LYS 956 -0.432 11.417 11.190 295 1HE LYS 956 HE1 LYS 956 -2.081 8.905 10.985 296 2HE LYS 956 HE2 LYS 956 -2.329 10.108 12.246 297 1HZ LYS 956 HZ1 LYS 956 -3.083 11.662 10.737 298 2HZ LYS 956 HZ2 LYS 956 -2.361 10.901 9.407 299 3HZ LYS 956 HZ3 LYS 956 -3.740 10.224 10.118 300 H GLU 957 H GLU 957 -2.440 10.192 6.564 301 HA GLU 957 HA GLU 957 -3.610 7.866 7.511 302 1HB GLU 957 HB1 GLU 957 -4.374 9.343 4.987 303 2HB GLU 957 HB2 GLU 957 -5.409 8.269 5.918 304 1HG GLU 957 HG1 GLU 957 -4.253 10.856 6.937 305 2HG GLU 957 HG2 GLU 957 -5.881 10.661 6.291 306 H VAL 958 H VAL 958 -2.192 8.421 4.241 307 HA VAL 958 HA VAL 958 -2.568 5.703 3.474 308 HB VAL 958 HB VAL 958 -2.219 7.503 1.805 309 1HG1 VAL 958 1HG1 VAL 958 0.641 7.420 2.731 310 2HG1 VAL 958 2HG1 VAL 958 0.068 8.224 1.269 311 3HG1 VAL 958 3HG1 VAL 958 -0.470 8.782 2.854 312 1HG2 VAL 958 1HG2 VAL 958 -0.280 5.204 1.662 313 2HG2 VAL 958 2HG2 VAL 958 -1.966 5.198 1.141 314 3HG2 VAL 958 3HG2 VAL 958 -0.786 6.198 0.294 315 H GLY 959 H GLY 959 -0.154 7.278 5.408 316 1HA GLY 959 HA1 GLY 959 1.853 5.263 5.201 317 2HA GLY 959 HA2 GLY 959 1.687 6.423 6.512 318 H LEU 960 H LEU 960 -0.729 5.842 7.557 319 HA LEU 960 HA LEU 960 -0.478 3.472 9.014 320 1HB LEU 960 HB1 LEU 960 -2.707 5.376 8.493 321 2HB LEU 960 HB2 LEU 960 -3.109 3.824 9.200 322 HG LEU 960 HG LEU 960 -2.855 5.518 10.925 323 1HD1 LEU 960 1HD1 LEU 960 -1.271 4.358 12.358 324 2HD1 LEU 960 2HD1 LEU 960 -2.253 3.211 11.446 325 3HD1 LEU 960 3HD1 LEU 960 -0.591 3.533 10.956 326 1HD2 LEU 960 1HD2 LEU 960 -0.021 5.798 9.928 327 2HD2 LEU 960 2HD2 LEU 960 -1.297 7.008 9.784 328 3HD2 LEU 960 3HD2 LEU 960 -0.686 6.554 11.377 329 H ALA 961 H ALA 961 -1.655 4.012 5.856 330 HA ALA 961 HA ALA 961 -3.329 1.769 5.531 331 1HB ALA 961 HB1 ALA 961 -3.226 3.634 3.937 332 2HB ALA 961 HB2 ALA 961 -1.627 3.090 3.429 333 3HB ALA 961 HB3 ALA 961 -3.037 2.065 3.154 334 H LEU 962 H LEU 962 0.089 2.154 4.482 335 HA LEU 962 HA LEU 962 0.362 -0.610 3.939 336 1HB LEU 962 HB1 LEU 962 1.819 0.765 2.742 337 2HB LEU 962 HB2 LEU 962 2.286 1.676 4.174 338 HG LEU 962 HG LEU 962 3.474 -0.405 4.987 339 1HD1 LEU 962 1HD1 LEU 962 4.041 -2.095 3.329 340 2HD1 LEU 962 2HD1 LEU 962 2.300 -2.028 3.601 341 3HD1 LEU 962 3HD1 LEU 962 2.996 -1.303 2.151 342 1HD2 LEU 962 1HD2 LEU 962 4.409 0.822 2.395 343 2HD2 LEU 962 2HD2 LEU 962 4.680 1.467 4.013 344 3HD2 LEU 962 3HD2 LEU 962 5.416 -0.064 3.538 345 H ARG 963 H ARG 963 1.045 1.361 6.824 346 HA ARG 963 HA ARG 963 2.310 -0.526 8.384 347 1HB ARG 963 HB1 ARG 963 1.870 1.854 8.994 348 2HB ARG 963 HB2 ARG 963 0.198 1.421 9.322 349 1HG ARG 963 HG1 ARG 963 1.422 1.530 11.386 350 2HG ARG 963 HG2 ARG 963 0.978 -0.147 11.061 351 1HD ARG 963 HD1 ARG 963 3.248 -0.484 10.088 352 2HD ARG 963 HD2 ARG 963 3.665 1.142 10.622 353 HE ARG 963 HE ARG 963 2.728 -0.146 12.869 354 1HH1 ARG 963 2HH1 ARG 963 5.352 -0.543 10.573 355 2HH1 ARG 963 1HH1 ARG 963 6.359 -1.436 11.678 356 1HH2 ARG 963 2HH2 ARG 963 4.073 -1.276 14.344 357 2HH2 ARG 963 1HH2 ARG 963 5.631 -1.859 13.823 358 H THR 964 H THR 964 -1.206 0.113 8.513 359 HA THR 964 HA THR 964 -1.958 -2.158 9.906 360 HB THR 964 HB THR 964 -3.594 -0.915 7.683 361 HG1 THR 964 HG1 THR 964 -3.083 0.774 9.000 362 1HG2 THR 964 1HG2 THR 964 -4.409 -2.341 10.221 363 2HG2 THR 964 2HG2 THR 964 -5.508 -1.605 9.054 364 3HG2 THR 964 3HG2 THR 964 -4.524 -2.992 8.585 365 H LEU 965 H LEU 965 -1.295 -1.739 6.516 366 HA LEU 965 HA LEU 965 -2.109 -4.262 5.578 367 1HB LEU 965 HB1 LEU 965 -1.775 -2.377 4.116 368 2HB LEU 965 HB2 LEU 965 -0.090 -2.268 4.566 369 HG LEU 965 HG LEU 965 -0.656 -3.223 2.277 370 1HD1 LEU 965 1HD1 LEU 965 1.173 -4.831 2.392 371 2HD1 LEU 965 2HD1 LEU 965 1.552 -3.349 3.268 372 3HD1 LEU 965 3HD1 LEU 965 1.087 -4.803 4.152 373 1HD2 LEU 965 1HD2 LEU 965 -2.461 -4.704 2.927 374 2HD2 LEU 965 2HD2 LEU 965 -1.136 -5.633 2.227 375 3HD2 LEU 965 3HD2 LEU 965 -1.368 -5.612 3.974 376 H LEU 966 H LEU 966 0.721 -3.188 7.260 377 HA LEU 966 HA LEU 966 2.427 -5.372 6.582 378 1HB LEU 966 HB1 LEU 966 2.499 -3.488 8.937 379 2HB LEU 966 HB2 LEU 966 3.730 -4.694 8.617 380 HG LEU 966 HG LEU 966 3.038 -2.367 6.821 381 1HD1 LEU 966 1HD1 LEU 966 5.434 -2.880 8.578 382 2HD1 LEU 966 2HD1 LEU 966 5.259 -1.539 7.447 383 3HD1 LEU 966 3HD1 LEU 966 4.185 -1.661 8.841 384 1HD2 LEU 966 1HD2 LEU 966 5.023 -3.053 5.547 385 2HD2 LEU 966 2HD2 LEU 966 5.175 -4.482 6.570 386 3HD2 LEU 966 3HD2 LEU 966 3.766 -4.290 5.527 387 H ALA 967 H ALA 967 -0.019 -4.863 9.035 388 HA ALA 967 HA ALA 967 0.462 -7.217 10.534 389 1HB ALA 967 HB1 ALA 967 -1.074 -5.460 11.289 390 2HB ALA 967 HB2 ALA 967 -2.178 -5.864 9.975 391 3HB ALA 967 HB3 ALA 967 -1.865 -7.037 11.254 392 H THR 968 H THR 968 -1.517 -6.583 7.675 393 HA THR 968 HA THR 968 -2.313 -9.243 7.164 394 HB THR 968 HB THR 968 -2.039 -6.786 5.481 395 HG1 THR 968 HG1 THR 968 -4.365 -8.154 5.357 396 1HG2 THR 968 1HG2 THR 968 -1.302 -8.562 3.993 397 2HG2 THR 968 2HG2 THR 968 -2.717 -9.524 4.416 398 3HG2 THR 968 3HG2 THR 968 -2.913 -8.006 3.540 399 H VAL 969 H VAL 969 0.535 -7.417 6.157 400 HA VAL 969 HA VAL 969 1.820 -9.318 4.609 401 HB VAL 969 HB VAL 969 2.994 -7.257 6.475 402 1HG1 VAL 969 1HG1 VAL 969 5.124 -7.575 5.314 403 2HG1 VAL 969 2HG1 VAL 969 4.636 -9.039 6.167 404 3HG1 VAL 969 3HG1 VAL 969 4.436 -8.928 4.417 405 1HG2 VAL 969 1HG2 VAL 969 2.724 -7.343 3.477 406 2HG2 VAL 969 2HG2 VAL 969 1.707 -6.410 4.575 407 3HG2 VAL 969 3HG2 VAL 969 3.423 -6.030 4.421 408 H ASP 970 H ASP 970 1.486 -9.193 8.100 409 HA ASP 970 HA ASP 970 3.465 -11.207 8.600 410 1HB ASP 970 HB1 ASP 970 2.706 -9.459 10.271 411 2HB ASP 970 HB2 ASP 970 1.212 -10.370 10.434 412 H GLU 971 H GLU 971 0.134 -11.226 7.805 413 HA GLU 971 HA GLU 971 -0.298 -14.024 8.306 414 1HB GLU 971 HB1 GLU 971 -1.613 -12.169 6.310 415 2HB GLU 971 HB2 GLU 971 -2.192 -13.775 6.735 416 1HG GLU 971 HG1 GLU 971 -1.863 -11.545 8.712 417 2HG GLU 971 HG2 GLU 971 -3.371 -11.888 7.850 418 H SER 972 H SER 972 0.598 -12.108 5.517 419 HA SER 972 HA SER 972 1.033 -14.253 3.751 420 1HB SER 972 HB1 SER 972 0.611 -11.931 3.043 421 2HB SER 972 HB2 SER 972 2.191 -11.462 3.691 422 HG SER 972 HG SER 972 3.121 -12.977 2.214 423 H LEU 973 H LEU 973 2.917 -12.892 6.301 424 HA LEU 973 HA LEU 973 5.490 -13.546 5.423 425 1HB LEU 973 HB1 LEU 973 4.981 -12.040 7.320 426 2HB LEU 973 HB2 LEU 973 4.493 -13.427 8.273 427 HG LEU 973 HG LEU 973 6.784 -14.314 8.151 428 1HD1 LEU 973 1HD1 LEU 973 8.581 -12.879 7.279 429 2HD1 LEU 973 2HD1 LEU 973 7.450 -13.364 6.015 430 3HD1 LEU 973 3HD1 LEU 973 7.369 -11.738 6.694 431 1HD2 LEU 973 1HD2 LEU 973 6.086 -12.867 10.011 432 2HD2 LEU 973 2HD2 LEU 973 7.802 -12.696 9.642 433 3HD2 LEU 973 3HD2 LEU 973 6.657 -11.461 9.114 434 HA PRO 974 HA PRO 974 4.987 -17.935 7.550 435 1HB PRO 974 HB1 PRO 974 2.022 -18.136 7.333 436 2HB PRO 974 HB2 PRO 974 3.111 -18.822 8.547 437 1HG PRO 974 HG1 PRO 974 1.600 -16.713 9.117 438 2HG PRO 974 HG2 PRO 974 3.266 -16.830 9.719 439 1HD PRO 974 HD1 PRO 974 2.178 -15.212 7.450 440 2HD PRO 974 HD2 PRO 974 3.420 -14.786 8.644 441 H VAL 975 H VAL 975 2.832 -16.465 5.193 442 HA VAL 975 HA VAL 975 2.873 -18.746 3.399 443 HB VAL 975 HB VAL 975 2.239 -15.875 2.717 444 1HG1 VAL 975 1HG1 VAL 975 0.989 -16.848 0.864 445 2HG1 VAL 975 2HG1 VAL 975 2.696 -17.290 0.788 446 3HG1 VAL 975 3HG1 VAL 975 1.506 -18.461 1.358 447 1HG2 VAL 975 1HG2 VAL 975 -0.109 -16.492 3.052 448 2HG2 VAL 975 2HG2 VAL 975 0.393 -18.086 3.614 449 3HG2 VAL 975 3HG2 VAL 975 0.819 -16.649 4.543 450 H LEU 976 H LEU 976 5.089 -16.304 4.162 451 HA LEU 976 HA LEU 976 6.411 -16.076 1.683 452 1HB LEU 976 HB1 LEU 976 6.733 -14.296 3.115 453 2HB LEU 976 HB2 LEU 976 7.120 -15.316 4.488 454 HG LEU 976 HG LEU 976 9.040 -15.375 2.230 455 1HD1 LEU 976 1HD1 LEU 976 8.735 -12.978 4.040 456 2HD1 LEU 976 2HD1 LEU 976 10.084 -13.276 2.943 457 3HD1 LEU 976 3HD1 LEU 976 8.465 -13.003 2.297 458 1HD2 LEU 976 1HD2 LEU 976 9.340 -15.109 5.220 459 2HD2 LEU 976 2HD2 LEU 976 9.416 -16.618 4.310 460 3HD2 LEU 976 3HD2 LEU 976 10.646 -15.377 4.066 461 HA PRO 977 HA PRO 977 9.493 -19.490 3.255 462 1HB PRO 977 HB1 PRO 977 7.789 -20.887 5.236 463 2HB PRO 977 HB2 PRO 977 9.526 -20.565 5.280 464 1HG PRO 977 HG1 PRO 977 7.839 -19.220 6.846 465 2HG PRO 977 HG2 PRO 977 9.242 -18.423 6.109 466 1HD PRO 977 HD1 PRO 977 6.363 -18.325 5.301 467 2HD PRO 977 HD2 PRO 977 7.567 -17.023 5.343 468 H ALA 978 H ALA 978 5.996 -19.816 3.317 469 HA ALA 978 HA ALA 978 5.845 -22.347 2.074 470 1HB ALA 978 HB1 ALA 978 3.524 -21.805 1.620 471 2HB ALA 978 HB2 ALA 978 3.956 -21.319 3.259 472 3HB ALA 978 HB3 ALA 978 3.828 -20.107 1.984 473 H SER 979 H SER 979 5.424 -19.079 0.629 474 HA SER 979 HA SER 979 6.579 -19.916 -1.857 475 1HB SER 979 HB1 SER 979 3.573 -19.628 -1.654 476 2HB SER 979 HB2 SER 979 4.454 -19.606 -3.186 477 HG SER 979 HG SER 979 5.125 -21.723 -1.578 478 H THR 980 H THR 980 4.639 -17.500 -0.135 479 HA THR 980 HA THR 980 4.569 -15.608 -2.205 480 HB THR 980 HB THR 980 3.102 -15.639 -0.104 481 HG1 THR 980 HG1 THR 980 3.056 -13.210 -0.265 482 1HG2 THR 980 1HG2 THR 980 4.880 -15.487 1.560 483 2HG2 THR 980 2HG2 THR 980 5.399 -13.946 0.877 484 3HG2 THR 980 3HG2 THR 980 3.820 -14.080 1.650 485 H HIS 981 H HIS 981 7.203 -16.387 -0.182 486 HA HIS 981 HA HIS 981 8.540 -14.061 0.322 487 1HB HIS 981 HB1 HIS 981 9.355 -16.273 0.995 488 2HB HIS 981 HB2 HIS 981 9.723 -16.667 -0.676 489 HD1 HIS 981 HD1 HIS 981 11.098 -14.989 2.310 490 HD2 HIS 981 HD2 HIS 981 12.039 -15.359 -1.716 491 HE1 HIS 981 HE1 HIS 981 13.468 -14.197 2.101 492 HE2 HIS 981 HE2 HIS 981 13.942 -14.233 -0.371 493 H ARG 982 H ARG 982 7.928 -15.389 -2.791 494 HA ARG 982 HA ARG 982 9.992 -13.854 -4.131 495 1HB ARG 982 HB1 ARG 982 9.181 -15.931 -5.159 496 2HB ARG 982 HB2 ARG 982 7.565 -15.251 -5.282 497 1HG ARG 982 HG1 ARG 982 8.571 -15.094 -7.426 498 2HG ARG 982 HG2 ARG 982 8.518 -13.463 -6.751 499 1HD ARG 982 HD1 ARG 982 10.666 -13.674 -7.687 500 2HD ARG 982 HD2 ARG 982 10.896 -13.885 -5.952 501 HE ARG 982 HE ARG 982 10.642 -16.219 -7.719 502 1HH1 ARG 982 2HH1 ARG 982 12.462 -14.383 -5.345 503 2HH1 ARG 982 1HH1 ARG 982 13.721 -15.579 -5.219 504 1HH2 ARG 982 2HH2 ARG 982 12.257 -17.789 -7.524 505 2HH2 ARG 982 1HH2 ARG 982 13.589 -17.526 -6.429 506 H GLU 983 H GLU 983 6.432 -13.689 -4.013 507 HA GLU 983 HA GLU 983 6.355 -11.176 -5.346 508 1HB GLU 983 HB1 GLU 983 4.531 -13.136 -4.971 509 2HB GLU 983 HB2 GLU 983 4.007 -11.975 -3.765 510 1HG GLU 983 HG1 GLU 983 2.976 -10.827 -5.337 511 2HG GLU 983 HG2 GLU 983 4.545 -10.514 -6.105 512 H ILE 984 H ILE 984 5.873 -12.155 -1.965 513 HA ILE 984 HA ILE 984 4.905 -9.693 -1.079 514 HB ILE 984 HB ILE 984 4.771 -11.793 0.236 515 1HG1 ILE 984 1HG1 ILE 984 6.062 -9.449 1.665 516 2HG1 ILE 984 2HG1 ILE 984 4.350 -9.609 1.285 517 1HG2 ILE 984 1HG2 ILE 984 7.054 -12.596 -0.091 518 2HG2 ILE 984 2HG2 ILE 984 7.683 -11.232 0.833 519 3HG2 ILE 984 3HG2 ILE 984 6.688 -12.452 1.629 520 1HD1 ILE 984 1HD1 ILE 984 4.230 -11.575 2.747 521 2HD1 ILE 984 2HD1 ILE 984 5.935 -11.362 3.149 522 3HD1 ILE 984 3HD1 ILE 984 4.760 -10.128 3.605 523 H GLU 985 H GLU 985 8.185 -10.822 -1.591 524 HA GLU 985 HA GLU 985 9.399 -8.570 -0.335 525 1HB GLU 985 HB1 GLU 985 10.485 -10.598 -2.281 526 2HB GLU 985 HB2 GLU 985 11.452 -9.287 -1.624 527 1HG GLU 985 HG1 GLU 985 10.753 -10.194 0.673 528 2HG GLU 985 HG2 GLU 985 10.280 -11.645 -0.213 529 H MET 986 H MET 986 8.280 -9.255 -3.630 530 HA MET 986 HA MET 986 9.715 -7.191 -4.851 531 1HB MET 986 HB1 MET 986 8.426 -7.449 -6.798 532 2HB MET 986 HB2 MET 986 8.595 -9.044 -6.094 533 1HG MET 986 HG1 MET 986 6.345 -9.027 -5.326 534 2HG MET 986 HG2 MET 986 6.156 -7.325 -5.748 535 1HE MET 986 HE1 MET 986 6.659 -10.704 -8.858 536 2HE MET 986 HE2 MET 986 7.979 -10.117 -7.846 537 3HE MET 986 HE3 MET 986 6.622 -10.978 -7.114 538 H ALA 987 H ALA 987 6.270 -7.077 -3.832 539 HA ALA 987 HA ALA 987 6.213 -4.279 -4.500 540 1HB ALA 987 HB1 ALA 987 4.301 -5.751 -5.023 541 2HB ALA 987 HB2 ALA 987 4.002 -5.917 -3.293 542 3HB ALA 987 HB3 ALA 987 3.867 -4.334 -4.064 543 H GLN 988 H GLN 988 6.338 -6.216 -1.520 544 HA GLN 988 HA GLN 988 5.489 -4.126 0.179 545 1HB GLN 988 HB1 GLN 988 5.489 -6.371 1.042 546 2HB GLN 988 HB2 GLN 988 7.227 -6.515 0.799 547 1HG GLN 988 HG1 GLN 988 7.494 -4.607 2.417 548 2HG GLN 988 HG2 GLN 988 5.779 -4.780 2.779 549 1HE2 GLN 988 2HE2 GLN 988 6.277 -5.257 4.925 550 2HE2 GLN 988 1HE2 GLN 988 6.896 -6.802 5.394 551 H LYS 989 H LYS 989 8.780 -5.192 -0.730 552 HA LYS 989 HA LYS 989 10.060 -3.125 0.761 553 1HB LYS 989 HB1 LYS 989 11.199 -5.227 -0.077 554 2HB LYS 989 HB2 LYS 989 11.181 -4.507 -1.684 555 1HG LYS 989 HG1 LYS 989 12.352 -2.506 -0.519 556 2HG LYS 989 HG2 LYS 989 12.720 -3.684 0.739 557 1HD LYS 989 HD1 LYS 989 14.563 -3.540 -0.826 558 2HD LYS 989 HD2 LYS 989 13.785 -5.120 -0.964 559 1HE LYS 989 HE1 LYS 989 12.743 -4.553 -2.987 560 2HE LYS 989 HE2 LYS 989 13.027 -2.830 -2.750 561 1HZ LYS 989 HZ1 LYS 989 14.500 -3.905 -4.413 562 2HZ LYS 989 HZ2 LYS 989 15.327 -3.112 -3.163 563 3HZ LYS 989 HZ3 LYS 989 15.203 -4.805 -3.157 564 H LEU 990 H LEU 990 8.605 -3.413 -2.341 565 HA LEU 990 HA LEU 990 9.617 -1.094 -3.586 566 1HB LEU 990 HB1 LEU 990 8.610 -2.689 -4.956 567 2HB LEU 990 HB2 LEU 990 7.254 -2.907 -3.881 568 HG LEU 990 HG LEU 990 6.216 -0.892 -4.671 569 1HD1 LEU 990 1HD1 LEU 990 8.703 -0.548 -6.366 570 2HD1 LEU 990 2HD1 LEU 990 7.240 0.428 -6.496 571 3HD1 LEU 990 3HD1 LEU 990 8.214 0.487 -5.025 572 1HD2 LEU 990 1HD2 LEU 990 7.274 -2.554 -6.946 573 2HD2 LEU 990 2HD2 LEU 990 5.897 -2.950 -5.919 574 3HD2 LEU 990 3HD2 LEU 990 5.830 -1.541 -6.976 575 H LEU 991 H LEU 991 6.875 -1.764 -1.498 576 HA LEU 991 HA LEU 991 5.695 0.815 -1.565 577 1HB LEU 991 HB1 LEU 991 5.525 -1.374 0.507 578 2HB LEU 991 HB2 LEU 991 4.474 0.031 0.432 579 HG LEU 991 HG LEU 991 4.696 -2.065 -1.719 580 1HD1 LEU 991 1HD1 LEU 991 2.477 -2.772 -0.947 581 2HD1 LEU 991 2HD1 LEU 991 3.696 -2.977 0.312 582 3HD1 LEU 991 3HD1 LEU 991 2.572 -1.619 0.384 583 1HD2 LEU 991 1HD2 LEU 991 2.820 0.264 -1.312 584 2HD2 LEU 991 2HD2 LEU 991 4.080 0.136 -2.540 585 3HD2 LEU 991 3HD2 LEU 991 2.689 -0.946 -2.588 586 H ASN 992 H ASN 992 8.196 -0.682 0.324 587 HA ASN 992 HA ASN 992 8.231 1.018 2.527 588 1HB ASN 992 HB1 ASN 992 9.565 -1.119 2.175 589 2HB ASN 992 HB2 ASN 992 10.676 -0.171 1.195 590 1HD2 ASN 992 2HD2 ASN 992 11.067 -1.633 3.697 591 2HD2 ASN 992 1HD2 ASN 992 11.707 -0.485 4.822 592 H SER 993 H SER 993 9.840 1.251 -0.616 593 HA SER 993 HA SER 993 11.046 3.759 0.018 594 1HB SER 993 HB1 SER 993 11.402 3.609 -2.624 595 2HB SER 993 HB2 SER 993 12.369 2.675 -1.482 596 HG SER 993 HG SER 993 10.243 1.843 -3.131 597 H ASP 994 H ASP 994 7.986 2.850 -1.499 598 HA ASP 994 HA ASP 994 7.766 5.544 -2.604 599 1HB ASP 994 HB1 ASP 994 5.594 4.765 -3.615 600 2HB ASP 994 HB2 ASP 994 7.065 4.036 -4.234 601 H LEU 995 H LEU 995 5.791 3.437 -0.507 602 HA LEU 995 HA LEU 995 3.900 5.315 0.281 603 1HB LEU 995 HB1 LEU 995 4.338 2.745 0.950 604 2HB LEU 995 HB2 LEU 995 5.005 3.506 2.376 605 HG LEU 995 HG LEU 995 2.785 2.938 2.903 606 1HD1 LEU 995 1HD1 LEU 995 1.683 5.085 3.279 607 2HD1 LEU 995 2HD1 LEU 995 3.398 5.134 3.693 608 3HD1 LEU 995 3HD1 LEU 995 2.833 5.856 2.186 609 1HD2 LEU 995 1HD2 LEU 995 1.952 2.519 0.681 610 2HD2 LEU 995 2HD2 LEU 995 0.867 3.619 1.531 611 3HD2 LEU 995 3HD2 LEU 995 1.981 4.245 0.316 612 H ALA 996 H ALA 996 6.977 4.499 1.800 613 HA ALA 996 HA ALA 996 6.968 6.509 3.730 614 1HB ALA 996 HB1 ALA 996 9.412 5.333 2.432 615 2HB ALA 996 HB2 ALA 996 9.358 6.197 3.968 616 3HB ALA 996 HB3 ALA 996 8.541 4.642 3.800 617 H GLU 997 H GLU 997 8.409 6.700 0.410 618 HA GLU 997 HA GLU 997 9.402 9.278 0.907 619 1HB GLU 997 HB1 GLU 997 9.875 9.535 -1.378 620 2HB GLU 997 HB2 GLU 997 10.128 7.833 -1.018 621 1HG GLU 997 HG1 GLU 997 8.110 7.229 -2.106 622 2HG GLU 997 HG2 GLU 997 7.609 8.912 -2.245 623 H LEU 998 H LEU 998 6.238 8.184 -0.100 624 HA LEU 998 HA LEU 998 5.333 10.727 -0.991 625 1HB LEU 998 HB1 LEU 998 4.089 8.137 -0.383 626 2HB LEU 998 HB2 LEU 998 3.047 9.529 -0.145 627 HG LEU 998 HG LEU 998 2.736 8.653 -2.372 628 1HD1 LEU 998 1HD1 LEU 998 4.280 11.242 -2.372 629 2HD1 LEU 998 2HD1 LEU 998 3.221 10.677 -3.665 630 3HD1 LEU 998 3HD1 LEU 998 2.552 11.055 -2.076 631 1HD2 LEU 998 1HD2 LEU 998 4.883 7.552 -2.659 632 2HD2 LEU 998 2HD2 LEU 998 4.570 8.652 -4.001 633 3HD2 LEU 998 3HD2 LEU 998 5.697 9.114 -2.725 634 H ILE 999 H ILE 999 5.136 9.050 2.101 635 HA ILE 999 HA ILE 999 3.828 10.967 3.624 636 HB ILE 999 HB ILE 999 6.194 9.276 4.474 637 1HG1 ILE 999 1HG1 ILE 999 3.221 8.778 4.760 638 2HG1 ILE 999 2HG1 ILE 999 4.267 7.994 3.579 639 1HG2 ILE 999 1HG2 ILE 999 5.327 9.589 6.758 640 2HG2 ILE 999 2HG2 ILE 999 5.828 11.112 6.023 641 3HG2 ILE 999 3HG2 ILE 999 4.115 10.706 6.130 642 1HD1 ILE 999 1HD1 ILE 999 4.500 7.762 6.569 643 2HD1 ILE 999 2HD1 ILE 999 3.831 6.548 5.478 644 3HD1 ILE 999 3HD1 ILE 999 5.541 6.971 5.386 645 H ASN1000 H ASN1000 7.153 10.831 2.576 646 HA ASN1000 HA ASN1000 7.864 13.340 3.925 647 1HB ASN1000 HB1 ASN1000 9.548 11.644 2.054 648 2HB ASN1000 HB2 ASN1000 10.115 12.947 3.089 649 1HD2 ASN1000 2HD2 ASN1000 10.964 10.199 2.942 650 2HD2 ASN1000 1HD2 ASN1000 10.741 9.524 4.516 651 H LYS1001 H LYS1001 6.424 12.427 1.059 652 HA LYS1001 HA LYS1001 7.707 14.455 -0.593 653 1HB LYS1001 HB1 LYS1001 6.289 12.056 -1.142 654 2HB LYS1001 HB2 LYS1001 5.359 13.378 -1.838 655 1HG LYS1001 HG1 LYS1001 6.902 12.477 -3.469 656 2HG LYS1001 HG2 LYS1001 7.352 14.131 -3.054 657 1HD LYS1001 HD1 LYS1001 9.037 13.229 -1.474 658 2HD LYS1001 HD2 LYS1001 8.630 11.601 -2.013 659 1HE LYS1001 HE1 LYS1001 9.703 13.805 -3.773 660 2HE LYS1001 HE2 LYS1001 10.657 12.487 -3.101 661 1HZ LYS1001 HZ1 LYS1001 8.472 12.298 -5.099 662 2HZ LYS1001 HZ2 LYS1001 10.103 11.905 -5.304 663 3HZ LYS1001 HZ3 LYS1001 9.127 10.941 -4.312 664 H MET1002 H MET1002 4.641 13.797 0.973 665 HA MET1002 HA MET1002 3.514 16.322 0.208 666 1HB MET1002 HB1 MET1002 2.056 14.388 0.677 667 2HB MET1002 HB2 MET1002 2.649 14.352 2.333 668 1HG MET1002 HG1 MET1002 0.750 15.518 2.671 669 2HG MET1002 HG2 MET1002 1.833 16.860 2.293 670 1HE MET1002 HE1 MET1002 1.847 18.148 -0.027 671 2HE MET1002 HE2 MET1002 2.196 16.644 -0.878 672 3HE MET1002 HE3 MET1002 0.877 17.681 -1.423 673 H LYS1003 H LYS1003 5.120 14.837 2.950 674 HA LYS1003 HA LYS1003 5.029 17.037 4.664 675 1HB LYS1003 HB1 LYS1003 5.780 14.813 5.395 676 2HB LYS1003 HB2 LYS1003 7.227 14.975 4.406 677 1HG LYS1003 HG1 LYS1003 8.121 16.635 5.777 678 2HG LYS1003 HG2 LYS1003 6.564 16.975 6.535 679 1HD LYS1003 HD1 LYS1003 6.629 14.771 7.619 680 2HD LYS1003 HD2 LYS1003 8.201 14.461 6.875 681 1HE LYS1003 HE1 LYS1003 9.217 16.239 8.097 682 2HE LYS1003 HE2 LYS1003 7.652 16.813 8.673 683 1HZ LYS1003 HZ1 LYS1003 7.409 14.901 10.027 684 2HZ LYS1003 HZ2 LYS1003 8.770 14.152 9.349 685 3HZ LYS1003 HZ3 LYS1003 8.957 15.527 10.327 686 H LEU1004 H LEU1004 7.629 16.081 2.365 687 HA LEU1004 HA LEU1004 9.076 18.432 2.493 688 1HB LEU1004 HB1 LEU1004 8.732 16.346 0.405 689 2HB LEU1004 HB2 LEU1004 9.520 17.845 -0.058 690 HG LEU1004 HG LEU1004 10.424 16.000 2.157 691 1HD1 LEU1004 1HD1 LEU1004 11.564 16.506 -0.589 692 2HD1 LEU1004 2HD1 LEU1004 12.313 15.520 0.667 693 3HD1 LEU1004 3HD1 LEU1004 10.777 15.025 -0.045 694 1HD2 LEU1004 1HD2 LEU1004 12.414 17.422 2.229 695 2HD2 LEU1004 2HD2 LEU1004 11.696 18.492 1.026 696 3HD2 LEU1004 3HD2 LEU1004 10.959 18.336 2.621 697 H ALA1005 H ALA1005 6.255 17.730 0.453 698 HA ALA1005 HA ALA1005 6.302 20.131 -0.990 699 1HB ALA1005 HB1 ALA1005 3.945 19.703 -1.476 700 2HB ALA1005 HB2 ALA1005 4.904 18.229 -1.630 701 3HB ALA1005 HB3 ALA1005 3.900 18.484 -0.202 702 H GLN1006 H GLN1006 4.674 19.279 2.015 703 HA GLN1006 HA GLN1006 3.740 21.954 2.462 704 1HB GLN1006 HB1 GLN1006 3.837 19.498 4.209 705 2HB GLN1006 HB2 GLN1006 3.106 21.027 4.711 706 1HG GLN1006 HG1 GLN1006 2.195 19.023 2.734 707 2HG GLN1006 HG2 GLN1006 1.283 19.897 3.962 708 1HE2 GLN1006 2HE2 GLN1006 2.403 19.870 0.721 709 2HE2 GLN1006 1HE2 GLN1006 1.573 21.288 0.188 710 H GLN1007 H GLN1007 6.649 20.371 2.805 711 HA GLN1007 HA GLN1007 7.710 22.061 4.857 712 1HB GLN1007 HB1 GLN1007 8.293 19.560 3.789 713 2HB GLN1007 HB2 GLN1007 9.589 20.587 3.213 714 1HG GLN1007 HG1 GLN1007 10.150 19.440 5.293 715 2HG GLN1007 HG2 GLN1007 10.159 21.194 5.492 716 1HE2 GLN1007 2HE2 GLN1007 7.168 19.344 5.303 717 2HE2 GLN1007 1HE2 GLN1007 6.733 19.570 6.973 718 H TYR1008 H TYR1008 6.927 22.353 1.694 719 HA TYR1008 HA TYR1008 8.854 24.535 1.240 720 1HB TYR1008 HB1 TYR1008 9.316 22.573 -0.153 721 2HB TYR1008 HB2 TYR1008 7.658 22.564 -0.719 722 HD1 TYR1008 HD1 TYR1008 7.166 23.523 -2.738 723 HD2 TYR1008 HD2 TYR1008 10.668 24.778 -0.666 724 HE1 TYR1008 HE1 TYR1008 7.846 24.862 -4.690 725 HE2 TYR1008 HE2 TYR1008 11.344 26.124 -2.607 726 HH TYR1008 HH TYR1008 9.236 26.580 -5.356 727 H VAL1009 H VAL1009 5.792 23.869 2.012 728 HA VAL1009 HA VAL1009 4.102 25.068 0.193 729 HB VAL1009 HB VAL1009 3.217 23.823 2.076 730 1HG1 VAL1009 1HG1 VAL1009 4.835 24.505 3.787 731 2HG1 VAL1009 2HG1 VAL1009 4.112 26.113 3.825 732 3HG1 VAL1009 3HG1 VAL1009 3.174 24.713 4.341 733 1HG2 VAL1009 1HG2 VAL1009 2.308 26.699 2.086 734 2HG2 VAL1009 2HG2 VAL1009 1.707 25.401 1.053 735 3HG2 VAL1009 3HG2 VAL1009 1.414 25.351 2.791 736 H MET1010 H MET1010 4.151 26.994 -0.657 737 HA MET1010 HA MET1010 4.454 29.294 1.145 738 1HB MET1010 HB1 MET1010 6.533 29.013 -0.194 739 2HB MET1010 HB2 MET1010 5.578 29.152 -1.665 740 1HG MET1010 HG1 MET1010 6.695 31.242 -1.142 741 2HG MET1010 HG2 MET1010 4.944 31.423 -1.052 742 1HE MET1010 HE1 MET1010 8.268 31.023 0.990 743 2HE MET1010 HE2 MET1010 7.681 31.068 2.652 744 3HE MET1010 HE3 MET1010 7.289 29.698 1.613 745 H THR1011 H THR1011 3.885 29.113 -2.337 746 HA THR1011 HA THR1011 1.047 29.673 -1.953 747 HB THR1011 HB THR1011 1.300 31.406 -3.872 748 HG1 THR1011 HG1 THR1011 3.450 32.522 -3.490 749 1HG2 THR1011 1HG2 THR1011 1.643 33.228 -2.283 750 2HG2 THR1011 2HG2 THR1011 0.590 31.989 -1.599 751 3HG2 THR1011 3HG2 THR1011 2.278 32.091 -1.096 752 H SER1012 H SER1012 2.537 30.292 -5.005 753 HA SER1012 HA SER1012 1.247 28.084 -6.280 754 1HB SER1012 HB1 SER1012 1.672 30.207 -7.459 755 2HB SER1012 HB2 SER1012 3.408 29.963 -7.287 756 HG SER1012 HG SER1012 2.926 29.252 -9.292 757 H LEU1013 H LEU1013 4.336 28.719 -4.884 758 HA LEU1013 HA LEU1013 5.895 26.669 -5.944 759 1HB LEU1013 HB1 LEU1013 5.944 27.856 -3.167 760 2HB LEU1013 HB2 LEU1013 7.197 26.827 -3.828 761 HG LEU1013 HG LEU1013 7.469 28.615 -5.648 762 1HD1 LEU1013 1HD1 LEU1013 5.936 30.225 -3.611 763 2HD1 LEU1013 2HD1 LEU1013 6.802 30.877 -5.001 764 3HD1 LEU1013 3HD1 LEU1013 5.403 29.833 -5.246 765 1HD2 LEU1013 1HD2 LEU1013 8.946 29.940 -4.236 766 2HD2 LEU1013 2HD2 LEU1013 8.166 29.289 -2.795 767 3HD2 LEU1013 3HD2 LEU1013 9.083 28.222 -3.859 768 H GLN1014 H GLN1014 3.398 26.620 -3.500 769 HA GLN1014 HA GLN1014 4.030 24.127 -2.335 770 1HB GLN1014 HB1 GLN1014 2.396 25.936 -1.497 771 2HB GLN1014 HB2 GLN1014 1.237 25.221 -2.608 772 1HG GLN1014 HG1 GLN1014 2.622 23.528 -0.578 773 2HG GLN1014 HG2 GLN1014 1.232 24.513 -0.131 774 1HE2 GLN1014 2HE2 GLN1014 2.352 21.818 -2.001 775 2HE2 GLN1014 1HE2 GLN1014 0.787 21.181 -2.379 776 H GLN1015 H GLN1015 1.790 25.046 -4.925 777 HA GLN1015 HA GLN1015 0.799 22.465 -5.446 778 1HB GLN1015 HB1 GLN1015 1.074 24.761 -7.372 779 2HB GLN1015 HB2 GLN1015 0.034 23.366 -7.584 780 1HG GLN1015 HG1 GLN1015 -1.126 24.089 -5.455 781 2HG GLN1015 HG2 GLN1015 -0.230 25.602 -5.601 782 1HE2 GLN1015 2HE2 GLN1015 -2.787 23.656 -6.852 783 2HE2 GLN1015 1HE2 GLN1015 -3.427 24.824 -7.951 784 H GLU1016 H GLU1016 3.489 24.275 -6.845 785 HA GLU1016 HA GLU1016 4.470 22.536 -8.698 786 1HB GLU1016 HB1 GLU1016 5.556 24.674 -8.144 787 2HB GLU1016 HB2 GLU1016 6.128 23.989 -6.627 788 1HG GLU1016 HG1 GLU1016 7.422 22.326 -7.906 789 2HG GLU1016 HG2 GLU1016 6.909 23.117 -9.394 790 H TYR1017 H TYR1017 5.153 22.364 -5.195 791 HA TYR1017 HA TYR1017 6.531 19.888 -5.411 792 1HB TYR1017 HB1 TYR1017 5.750 21.691 -3.219 793 2HB TYR1017 HB2 TYR1017 5.734 19.978 -2.793 794 HD1 TYR1017 HD1 TYR1017 7.620 20.256 -1.222 795 HD2 TYR1017 HD2 TYR1017 8.008 21.215 -5.364 796 HE1 TYR1017 HE1 TYR1017 10.067 20.255 -1.002 797 HE2 TYR1017 HE2 TYR1017 10.450 21.238 -5.140 798 HH TYR1017 HH TYR1017 12.142 21.503 -3.423 799 H LYS1018 H LYS1018 3.166 20.729 -5.020 800 HA LYS1018 HA LYS1018 2.349 18.104 -4.202 801 1HB LYS1018 HB1 LYS1018 1.010 20.163 -3.729 802 2HB LYS1018 HB2 LYS1018 0.645 20.277 -5.447 803 1HG LYS1018 HG1 LYS1018 -0.545 18.182 -5.383 804 2HG LYS1018 HG2 LYS1018 -0.065 17.922 -3.706 805 1HD LYS1018 HD1 LYS1018 -2.314 18.692 -3.681 806 2HD LYS1018 HD2 LYS1018 -1.307 20.029 -3.128 807 1HE LYS1018 HE1 LYS1018 -2.961 20.881 -4.642 808 2HE LYS1018 HE2 LYS1018 -1.384 20.967 -5.424 809 1HZ LYS1018 HZ1 LYS1018 -3.395 18.823 -5.887 810 2HZ LYS1018 HZ2 LYS1018 -3.132 20.150 -6.912 811 3HZ LYS1018 HZ3 LYS1018 -1.909 18.998 -6.687 812 H LYS1019 H LYS1019 2.993 19.683 -7.201 813 HA LYS1019 HA LYS1019 1.615 17.959 -8.964 814 1HB LYS1019 HB1 LYS1019 2.447 20.114 -9.671 815 2HB LYS1019 HB2 LYS1019 4.096 19.663 -9.273 816 1HG LYS1019 HG1 LYS1019 3.875 17.880 -11.069 817 2HG LYS1019 HG2 LYS1019 2.402 18.726 -11.559 818 1HD LYS1019 HD1 LYS1019 3.680 20.790 -11.844 819 2HD LYS1019 HD2 LYS1019 5.152 19.955 -11.349 820 1HE LYS1019 HE1 LYS1019 5.177 20.074 -13.714 821 2HE LYS1019 HE2 LYS1019 4.804 18.406 -13.289 822 1HZ LYS1019 HZ1 LYS1019 3.405 19.205 -15.082 823 2HZ LYS1019 HZ2 LYS1019 2.466 18.853 -13.711 824 3HZ LYS1019 HZ3 LYS1019 2.825 20.463 -14.107 825 H GLN1020 H GLN1020 5.148 18.085 -8.501 826 HA GLN1020 HA GLN1020 5.892 15.572 -9.096 827 1HB GLN1020 HB1 GLN1020 6.845 17.404 -6.934 828 2HB GLN1020 HB2 GLN1020 7.511 15.783 -7.038 829 1HG GLN1020 HG1 GLN1020 8.946 17.337 -8.180 830 2HG GLN1020 HG2 GLN1020 8.217 16.234 -9.344 831 1HE2 GLN1020 2HE2 GLN1020 8.358 19.491 -8.182 832 2HE2 GLN1020 1HE2 GLN1020 7.514 20.219 -9.499 833 H MET1021 H MET1021 4.369 16.501 -6.035 834 HA MET1021 HA MET1021 4.606 13.991 -4.780 835 1HB MET1021 HB1 MET1021 4.094 16.049 -3.555 836 2HB MET1021 HB2 MET1021 2.541 16.162 -4.364 837 1HG MET1021 HG1 MET1021 3.238 13.775 -2.702 838 2HG MET1021 HG2 MET1021 2.642 15.259 -1.962 839 1HE MET1021 HE1 MET1021 1.228 12.479 -1.574 840 2HE MET1021 HE2 MET1021 0.572 13.965 -0.890 841 3HE MET1021 HE3 MET1021 -0.471 12.887 -1.815 842 H LEU1022 H LEU1022 2.019 15.373 -6.775 843 HA LEU1022 HA LEU1022 0.150 13.317 -6.443 844 1HB LEU1022 HB1 LEU1022 -0.376 15.514 -7.408 845 2HB LEU1022 HB2 LEU1022 0.561 15.111 -8.834 846 HG LEU1022 HG LEU1022 -1.029 13.237 -9.278 847 1HD1 LEU1022 1HD1 LEU1022 -2.631 14.526 -7.072 848 2HD1 LEU1022 2HD1 LEU1022 -3.175 13.225 -8.132 849 3HD1 LEU1022 3HD1 LEU1022 -1.856 12.943 -6.998 850 1HD2 LEU1022 1HD2 LEU1022 -1.237 15.347 -10.448 851 2HD2 LEU1022 2HD2 LEU1022 -2.833 14.683 -10.099 852 3HD2 LEU1022 3HD2 LEU1022 -2.199 16.010 -9.126 853 H THR1023 H THR1023 2.819 13.651 -8.729 854 HA THR1023 HA THR1023 2.147 11.371 -10.300 855 HB THR1023 HB THR1023 4.889 12.587 -9.904 856 HG1 THR1023 HG1 THR1023 2.715 13.723 -10.895 857 1HG2 THR1023 1HG2 THR1023 3.709 11.008 -12.195 858 2HG2 THR1023 2HG2 THR1023 5.327 11.710 -12.151 859 3HG2 THR1023 3HG2 THR1023 4.897 10.413 -11.036 860 H ALA1024 H ALA1024 3.828 11.882 -7.326 861 HA ALA1024 HA ALA1024 5.107 9.283 -7.290 862 1HB ALA1024 HB1 ALA1024 5.907 9.926 -5.081 863 2HB ALA1024 HB2 ALA1024 6.206 11.214 -6.248 864 3HB ALA1024 HB3 ALA1024 4.869 11.351 -5.105 865 H ALA1025 H ALA1025 2.355 10.909 -5.809 866 HA ALA1025 HA ALA1025 1.579 8.839 -4.065 867 1HB ALA1025 HB1 ALA1025 -0.594 9.971 -3.999 868 2HB ALA1025 HB2 ALA1025 0.735 11.123 -3.864 869 3HB ALA1025 HB3 ALA1025 -0.128 10.948 -5.391 870 H HIS1026 H HIS1026 0.833 9.486 -7.455 871 HA HIS1026 HA HIS1026 -1.062 7.405 -7.703 872 1HB HIS1026 HB1 HIS1026 -0.786 9.240 -9.383 873 2HB HIS1026 HB2 HIS1026 0.735 8.506 -9.878 874 HD1 HIS1026 HD1 HIS1026 -2.987 7.911 -9.958 875 HD2 HIS1026 HD2 HIS1026 0.505 6.357 -11.609 876 HE1 HIS1026 HE1 HIS1026 -3.733 6.296 -11.740 877 HE2 HIS1026 HE2 HIS1026 -1.612 5.237 -12.597 878 H ALA1027 H ALA1027 2.410 7.532 -7.796 879 HA ALA1027 HA ALA1027 2.829 4.916 -8.799 880 1HB ALA1027 HB1 ALA1027 5.106 5.160 -7.970 881 2HB ALA1027 HB2 ALA1027 4.590 6.627 -8.800 882 3HB ALA1027 HB3 ALA1027 4.633 6.580 -7.037 883 H LEU1028 H LEU1028 2.661 6.241 -5.489 884 HA LEU1028 HA LEU1028 3.279 3.721 -4.296 885 1HB LEU1028 HB1 LEU1028 3.622 4.944 -2.485 886 2HB LEU1028 HB2 LEU1028 3.144 6.367 -3.358 887 HG LEU1028 HG LEU1028 1.246 4.662 -1.722 888 1HD1 LEU1028 1HD1 LEU1028 1.416 6.399 -0.042 889 2HD1 LEU1028 2HD1 LEU1028 2.993 5.668 -0.343 890 3HD1 LEU1028 3HD1 LEU1028 2.609 7.249 -1.022 891 1HD2 LEU1028 1HD2 LEU1028 0.105 5.985 -3.418 892 2HD2 LEU1028 2HD2 LEU1028 -0.186 6.662 -1.817 893 3HD2 LEU1028 3HD2 LEU1028 0.974 7.428 -2.900 894 H ALA1029 H ALA1029 0.301 5.396 -5.095 895 HA ALA1029 HA ALA1029 -1.538 3.587 -4.052 896 1HB ALA1029 HB1 ALA1029 -2.155 5.740 -5.033 897 2HB ALA1029 HB2 ALA1029 -1.771 5.115 -6.637 898 3HB ALA1029 HB3 ALA1029 -3.099 4.414 -5.711 899 H VAL1030 H VAL1030 0.132 3.468 -7.202 900 HA VAL1030 HA VAL1030 -1.222 1.057 -7.970 901 HB VAL1030 HB VAL1030 1.169 2.403 -9.237 902 1HG1 VAL1030 1HG1 VAL1030 1.042 0.049 -9.867 903 2HG1 VAL1030 2HG1 VAL1030 -0.650 0.247 -10.322 904 3HG1 VAL1030 3HG1 VAL1030 0.611 1.080 -11.233 905 1HG2 VAL1030 1HG2 VAL1030 -0.790 3.828 -9.254 906 2HG2 VAL1030 2HG2 VAL1030 -0.463 3.227 -10.880 907 3HG2 VAL1030 3HG2 VAL1030 -1.765 2.518 -9.924 908 H ASP1031 H ASP1031 1.481 1.790 -6.130 909 HA ASP1031 HA ASP1031 2.633 -0.855 -6.484 910 1HB ASP1031 HB1 ASP1031 3.527 1.491 -4.814 911 2HB ASP1031 HB2 ASP1031 4.329 -0.084 -4.789 912 H ALA1032 H ALA1032 0.840 0.981 -4.015 913 HA ALA1032 HA ALA1032 0.245 -1.056 -2.185 914 1HB ALA1032 HB1 ALA1032 -1.631 0.981 -3.403 915 2HB ALA1032 HB2 ALA1032 -1.899 0.086 -1.905 916 3HB ALA1032 HB3 ALA1032 -0.584 1.257 -2.011 917 H LYS1033 H LYS1033 -1.253 -0.232 -5.265 918 HA LYS1033 HA LYS1033 -3.036 -2.373 -5.473 919 1HB LYS1033 HB1 LYS1033 -3.166 -0.360 -6.854 920 2HB LYS1033 HB2 LYS1033 -1.658 -0.789 -7.646 921 1HG LYS1033 HG1 LYS1033 -2.748 -2.818 -8.539 922 2HG LYS1033 HG2 LYS1033 -4.269 -2.281 -7.818 923 1HD LYS1033 HD1 LYS1033 -4.230 -0.269 -9.183 924 2HD LYS1033 HD2 LYS1033 -2.660 -0.725 -9.847 925 1HE LYS1033 HE1 LYS1033 -5.248 -2.233 -10.192 926 2HE LYS1033 HE2 LYS1033 -4.445 -1.249 -11.414 927 1HZ LYS1033 HZ1 LYS1033 -3.901 -3.497 -11.841 928 2HZ LYS1033 HZ2 LYS1033 -2.508 -2.782 -11.188 929 3HZ LYS1033 HZ3 LYS1033 -3.474 -3.788 -10.224 930 H ASN1034 H ASN1034 0.416 -2.228 -6.110 931 HA ASN1034 HA ASN1034 0.428 -4.599 -7.722 932 1HB ASN1034 HB1 ASN1034 2.218 -2.808 -7.770 933 2HB ASN1034 HB2 ASN1034 2.784 -3.444 -6.227 934 1HD2 ASN1034 2HD2 ASN1034 4.742 -4.112 -7.011 935 2HD2 ASN1034 1HD2 ASN1034 4.934 -5.425 -8.114 936 H LEU1035 H LEU1035 0.728 -3.850 -4.319 937 HA LEU1035 HA LEU1035 1.689 -6.490 -3.655 938 1HB LEU1035 HB1 LEU1035 2.281 -4.482 -2.299 939 2HB LEU1035 HB2 LEU1035 0.602 -4.379 -1.789 940 HG LEU1035 HG LEU1035 0.871 -6.728 -0.866 941 1HD1 LEU1035 1HD1 LEU1035 2.881 -7.328 -2.125 942 2HD1 LEU1035 2HD1 LEU1035 3.790 -6.093 -1.253 943 3HD1 LEU1035 3HD1 LEU1035 3.131 -7.479 -0.385 944 1HD2 LEU1035 1HD2 LEU1035 2.570 -4.545 0.309 945 2HD2 LEU1035 2HD2 LEU1035 0.836 -4.755 0.549 946 3HD2 LEU1035 3HD2 LEU1035 1.963 -5.962 1.165 947 H LEU1036 H LEU1036 -1.421 -4.962 -3.996 948 HA LEU1036 HA LEU1036 -2.892 -6.846 -2.522 949 1HB LEU1036 HB1 LEU1036 -4.859 -6.055 -3.569 950 2HB LEU1036 HB2 LEU1036 -3.826 -4.664 -3.363 951 HG LEU1036 HG LEU1036 -3.204 -5.095 -5.869 952 1HD1 LEU1036 1HD1 LEU1036 -5.069 -6.006 -7.167 953 2HD1 LEU1036 2HD1 LEU1036 -4.356 -7.226 -6.113 954 3HD1 LEU1036 3HD1 LEU1036 -5.883 -6.463 -5.672 955 1HD2 LEU1036 1HD2 LEU1036 -4.350 -3.121 -5.011 956 2HD2 LEU1036 2HD2 LEU1036 -5.051 -3.644 -6.542 957 3HD2 LEU1036 3HD2 LEU1036 -5.881 -3.994 -5.025 958 H ASP1037 H ASP1037 -1.849 -6.661 -5.815 959 HA ASP1037 HA ASP1037 -2.858 -9.118 -6.749 960 1HB ASP1037 HB1 ASP1037 -1.916 -7.236 -8.146 961 2HB ASP1037 HB2 ASP1037 -0.311 -7.722 -7.619 962 H VAL1038 H VAL1038 0.201 -8.164 -5.325 963 HA VAL1038 HA VAL1038 1.599 -10.531 -5.246 964 HB VAL1038 HB VAL1038 1.509 -8.257 -3.275 965 1HG1 VAL1038 1HG1 VAL1038 3.443 -10.565 -3.325 966 2HG1 VAL1038 2HG1 VAL1038 3.586 -9.123 -2.320 967 3HG1 VAL1038 3HG1 VAL1038 2.243 -10.240 -2.075 968 1HG2 VAL1038 1HG2 VAL1038 3.474 -9.040 -5.421 969 2HG2 VAL1038 2HG2 VAL1038 2.368 -7.667 -5.447 970 3HG2 VAL1038 3HG2 VAL1038 3.692 -7.709 -4.284 971 H ILE1039 H ILE1039 -0.177 -9.290 -2.434 972 HA ILE1039 HA ILE1039 0.061 -11.816 -1.134 973 HB ILE1039 HB ILE1039 -1.157 -10.748 0.755 974 1HG1 ILE1039 1HG1 ILE1039 -1.075 -8.377 -1.114 975 2HG1 ILE1039 2HG1 ILE1039 -2.492 -9.096 -0.354 976 1HG2 ILE1039 1HG2 ILE1039 0.730 -9.296 1.352 977 2HG2 ILE1039 2HG2 ILE1039 1.270 -10.811 0.628 978 3HG2 ILE1039 3HG2 ILE1039 1.276 -9.326 -0.324 979 1HD1 ILE1039 1HD1 ILE1039 -1.880 -7.005 0.709 980 2HD1 ILE1039 2HD1 ILE1039 -1.697 -8.356 1.826 981 3HD1 ILE1039 3HD1 ILE1039 -0.274 -7.641 1.067 982 H ASP1040 H ASP1040 -2.660 -10.143 -2.703 983 HA ASP1040 HA ASP1040 -4.700 -11.944 -2.208 984 1HB ASP1040 HB1 ASP1040 -5.011 -10.122 -3.803 985 2HB ASP1040 HB2 ASP1040 -3.822 -10.822 -4.889 986 H GLN1041 H GLN1041 -1.989 -12.255 -4.416 987 HA GLN1041 HA GLN1041 -2.557 -15.013 -4.972 988 1HB GLN1041 HB1 GLN1041 -0.271 -13.220 -5.752 989 2HB GLN1041 HB2 GLN1041 -0.321 -14.935 -6.152 990 1HG GLN1041 HG1 GLN1041 -2.412 -14.597 -7.365 991 2HG GLN1041 HG2 GLN1041 -2.373 -12.882 -6.968 992 1HE2 GLN1041 2HE2 GLN1041 0.512 -12.676 -7.339 993 2HE2 GLN1041 1HE2 GLN1041 0.772 -12.719 -9.045 994 H ALA1042 H ALA1042 -0.466 -13.253 -2.691 995 HA ALA1042 HA ALA1042 1.108 -15.294 -1.798 996 1HB ALA1042 HB1 ALA1042 1.097 -14.237 0.383 997 2HB ALA1042 HB2 ALA1042 1.184 -13.026 -0.897 998 3HB ALA1042 HB3 ALA1042 -0.340 -13.314 -0.059 999 H ARG1043 H ARG1043 -2.113 -14.532 -0.454 1000 HA ARG1043 HA ARG1043 -2.391 -16.831 1.070 1001 1HB ARG1043 HB1 ARG1043 -4.004 -14.688 0.445 1002 2HB ARG1043 HB2 ARG1043 -4.891 -16.049 -0.228 1003 1HG ARG1043 HG1 ARG1043 -5.601 -15.550 2.053 1004 2HG ARG1043 HG2 ARG1043 -4.882 -17.155 1.939 1005 1HD ARG1043 HD1 ARG1043 -3.003 -16.546 3.130 1006 2HD ARG1043 HD2 ARG1043 -3.150 -14.845 2.692 1007 HE ARG1043 HE ARG1043 -5.330 -15.250 4.229 1008 1HH1 ARG1043 2HH1 ARG1043 -1.967 -16.062 4.771 1009 2HH1 ARG1043 1HH1 ARG1043 -2.043 -15.751 6.472 1010 1HH2 ARG1043 2HH2 ARG1043 -5.434 -14.815 6.451 1011 2HH2 ARG1043 1HH2 ARG1043 -4.007 -15.022 7.441 1012 H LEU1044 H LEU1044 -2.849 -16.422 -2.402 1013 HA LEU1044 HA LEU1044 -3.786 -19.098 -2.846 1014 1HB LEU1044 HB1 LEU1044 -4.145 -17.223 -4.434 1015 2HB LEU1044 HB2 LEU1044 -2.428 -17.213 -4.775 1016 HG LEU1044 HG LEU1044 -2.608 -19.505 -5.677 1017 1HD1 LEU1044 1HD1 LEU1044 -5.564 -19.116 -5.223 1018 2HD1 LEU1044 2HD1 LEU1044 -4.826 -20.447 -6.115 1019 3HD1 LEU1044 3HD1 LEU1044 -4.526 -20.269 -4.384 1020 1HD2 LEU1044 1HD2 LEU1044 -3.791 -18.898 -7.729 1021 2HD2 LEU1044 2HD2 LEU1044 -4.505 -17.508 -6.911 1022 3HD2 LEU1044 3HD2 LEU1044 -2.761 -17.579 -7.170 1023 H LYS1045 H LYS1045 -0.637 -17.513 -2.901 1024 HA LYS1045 HA LYS1045 1.073 -19.537 -3.682 1025 1HB LYS1045 HB1 LYS1045 1.244 -17.091 -2.091 1026 2HB LYS1045 HB2 LYS1045 2.369 -18.315 -1.531 1027 1HG LYS1045 HG1 LYS1045 3.521 -16.947 -3.050 1028 2HG LYS1045 HG2 LYS1045 3.219 -18.475 -3.874 1029 1HD LYS1045 HD1 LYS1045 1.338 -17.464 -5.070 1030 2HD LYS1045 HD2 LYS1045 1.622 -15.934 -4.238 1031 1HE LYS1045 HE1 LYS1045 3.885 -15.863 -5.231 1032 2HE LYS1045 HE2 LYS1045 3.514 -17.337 -6.117 1033 1HZ LYS1045 HZ1 LYS1045 3.155 -15.545 -7.585 1034 2HZ LYS1045 HZ2 LYS1045 1.612 -16.077 -7.127 1035 3HZ LYS1045 HZ3 LYS1045 2.262 -14.664 -6.445 1036 H MET1046 H MET1046 -0.447 -18.917 -0.594 1037 HA MET1046 HA MET1046 0.817 -20.910 0.931 1038 1HB MET1046 HB1 MET1046 -0.606 -19.067 1.824 1039 2HB MET1046 HB2 MET1046 -2.020 -19.897 1.190 1040 1HG MET1046 HG1 MET1046 -1.573 -21.791 2.650 1041 2HG MET1046 HG2 MET1046 -0.139 -20.970 3.272 1042 1HE MET1046 HE1 MET1046 -1.055 -21.316 5.766 1043 2HE MET1046 HE2 MET1046 -2.660 -20.808 6.291 1044 3HE MET1046 HE3 MET1046 -2.489 -22.124 5.130 1045 H ILE1047 H ILE1047 -2.132 -20.950 -1.008 1046 HA ILE1047 HA ILE1047 -2.728 -23.704 -0.610 1047 HB ILE1047 HB ILE1047 -3.576 -21.918 -2.894 1048 1HG1 ILE1047 1HG1 ILE1047 -4.148 -20.934 -0.737 1049 2HG1 ILE1047 2HG1 ILE1047 -5.598 -21.495 -1.563 1050 1HG2 ILE1047 1HG2 ILE1047 -3.969 -24.254 -3.384 1051 2HG2 ILE1047 2HG2 ILE1047 -4.762 -24.478 -1.826 1052 3HG2 ILE1047 3HG2 ILE1047 -5.505 -23.452 -3.053 1053 1HD1 ILE1047 1HD1 ILE1047 -4.176 -22.944 0.661 1054 2HD1 ILE1047 2HD1 ILE1047 -5.657 -22.000 0.820 1055 3HD1 ILE1047 3HD1 ILE1047 -5.650 -23.474 -0.149 1056 H SER1048 H SER1048 -0.682 -21.928 -2.762 1057 HA SER1048 HA SER1048 -0.425 -23.720 -4.881 1058 1HB SER1048 HB1 SER1048 1.569 -21.737 -3.762 1059 2HB SER1048 HB2 SER1048 1.721 -22.533 -5.331 1060 HG SER1048 HG SER1048 -0.670 -21.200 -4.754 1061 H GLN1049 H GLN1049 1.756 -23.365 -2.042 1062 HA GLN1049 HA GLN1049 3.086 -25.827 -2.746 1063 1HB GLN1049 HB1 GLN1049 4.286 -23.926 -1.658 1064 2HB GLN1049 HB2 GLN1049 3.356 -24.227 -0.195 1065 1HG GLN1049 HG1 GLN1049 4.398 -26.290 0.180 1066 2HG GLN1049 HG2 GLN1049 5.037 -26.362 -1.460 1067 1HE2 GLN1049 2HE2 GLN1049 5.408 -24.987 1.708 1068 2HE2 GLN1049 1HE2 GLN1049 7.017 -24.387 1.471 1069 H SER1050 H SER1050 0.285 -24.992 -1.070 1070 HA SER1050 HA SER1050 0.175 -27.389 0.549 1071 1HB SER1050 HB1 SER1050 -0.940 -25.279 1.260 1072 2HB SER1050 HB2 SER1050 -2.017 -25.408 -0.128 1073 HG SER1050 HG SER1050 -3.152 -26.858 0.881 1074 H ARG1051 H ARG1051 -0.026 -26.768 -2.648 1075 HA ARG1051 HA ARG1051 -1.900 -28.966 -3.195 1076 1HB ARG1051 HB1 ARG1051 -2.446 -26.924 -4.385 1077 2HB ARG1051 HB2 ARG1051 -0.800 -26.780 -4.978 1078 1HG ARG1051 HG1 ARG1051 -2.108 -27.546 -6.783 1079 2HG ARG1051 HG2 ARG1051 -1.168 -28.929 -6.228 1080 1HD ARG1051 HD1 ARG1051 -3.977 -28.425 -5.292 1081 2HD ARG1051 HD2 ARG1051 -3.635 -29.308 -6.775 1082 HE ARG1051 HE ARG1051 -2.238 -30.782 -5.180 1083 1HH1 ARG1051 2HH1 ARG1051 -5.243 -29.184 -4.357 1084 2HH1 ARG1051 1HH1 ARG1051 -5.736 -30.413 -3.236 1085 1HH2 ARG1051 2HH2 ARG1051 -2.901 -32.421 -3.711 1086 2HH2 ARG1051 1HH2 ARG1051 -4.421 -32.252 -2.877 1087 HA PRO1052 HA PRO1052 2.138 -31.039 -3.835 1088 1HB PRO1052 HB1 PRO1052 0.512 -33.423 -3.268 1089 2HB PRO1052 HB2 PRO1052 1.988 -32.862 -2.479 1090 1HG PRO1052 HG1 PRO1052 -0.394 -32.765 -1.246 1091 2HG PRO1052 HG2 PRO1052 0.844 -31.518 -0.992 1092 1HD PRO1052 HD1 PRO1052 -1.593 -31.441 -2.741 1093 2HD PRO1052 HD2 PRO1052 -0.943 -30.187 -1.662 1094 H HIS1053 H HIS1053 2.777 -31.813 -5.752 1095 HA HIS1053 HA HIS1053 0.735 -32.417 -7.750 1096 1HB HIS1053 HB1 HIS1053 3.723 -32.020 -8.010 1097 2HB HIS1053 HB2 HIS1053 2.644 -32.363 -9.357 1098 HD1 HIS1053 HD1 HIS1053 1.567 -30.389 -10.459 1099 HD2 HIS1053 HD2 HIS1053 3.166 -29.464 -6.729 1100 HE1 HIS1053 HE1 HIS1053 1.333 -27.895 -10.215 1101 HE2 HIS1053 HE2 HIS1053 2.113 -27.398 -7.869 Start of MODEL 7 1 1H ARG 920 H ARG 920 -7.472 -20.283 -1.273 2 HA ARG 920 HA ARG 920 -6.261 -18.184 -0.034 3 1HB ARG 920 HB1 ARG 920 -5.945 -18.515 -2.316 4 2HB ARG 920 HB2 ARG 920 -7.668 -18.446 -2.662 5 1HG ARG 920 HG1 ARG 920 -7.715 -16.178 -2.669 6 2HG ARG 920 HG2 ARG 920 -6.368 -16.036 -1.530 7 1HD ARG 920 HD1 ARG 920 -4.817 -16.196 -3.117 8 2HD ARG 920 HD2 ARG 920 -5.744 -17.314 -4.105 9 HE ARG 920 HE ARG 920 -6.124 -14.373 -4.006 10 1HH1 ARG 920 2HH1 ARG 920 -6.464 -17.431 -5.724 11 2HH1 ARG 920 1HH1 ARG 920 -6.858 -16.662 -7.232 12 1HH2 ARG 920 2HH2 ARG 920 -6.672 -13.394 -5.976 13 2HH2 ARG 920 1HH2 ARG 920 -6.989 -14.389 -7.375 14 H SER 921 H SER 921 -9.455 -17.738 -1.592 15 HA SER 921 HA SER 921 -11.276 -16.502 -1.035 16 1HB SER 921 HB1 SER 921 -11.312 -17.899 0.971 17 2HB SER 921 HB2 SER 921 -10.195 -16.798 1.774 18 HG SER 921 HG SER 921 -11.908 -15.153 1.336 19 H ASN 922 H ASN 922 -8.398 -15.317 -1.230 20 HA ASN 922 HA ASN 922 -7.267 -13.353 -0.968 21 1HB ASN 922 HB1 ASN 922 -9.626 -11.647 -1.151 22 2HB ASN 922 HB2 ASN 922 -8.215 -11.717 -2.196 23 1HD2 ASN 922 2HD2 ASN 922 -8.106 -13.430 -3.744 24 2HD2 ASN 922 1HD2 ASN 922 -9.569 -14.017 -4.471 25 H ASP 923 H ASP 923 -7.559 -14.312 1.327 26 HA ASP 923 HA ASP 923 -8.980 -13.285 3.385 27 1HB ASP 923 HB1 ASP 923 -7.203 -15.128 3.335 28 2HB ASP 923 HB2 ASP 923 -6.023 -13.851 3.590 29 H LYS 924 H LYS 924 -7.551 -12.083 5.243 30 HA LYS 924 HA LYS 924 -7.880 -9.393 4.904 31 1HB LYS 924 HB1 LYS 924 -7.139 -10.981 6.955 32 2HB LYS 924 HB2 LYS 924 -5.610 -10.177 6.636 33 1HG LYS 924 HG1 LYS 924 -8.052 -8.502 6.879 34 2HG LYS 924 HG2 LYS 924 -7.371 -9.211 8.343 35 1HD LYS 924 HD1 LYS 924 -5.211 -8.183 7.832 36 2HD LYS 924 HD2 LYS 924 -5.893 -7.477 6.366 37 1HE LYS 924 HE1 LYS 924 -5.760 -5.901 8.289 38 2HE LYS 924 HE2 LYS 924 -7.384 -6.108 7.638 39 1HZ LYS 924 HZ1 LYS 924 -7.994 -7.465 9.453 40 2HZ LYS 924 HZ2 LYS 924 -6.393 -7.610 10.001 41 3HZ LYS 924 HZ3 LYS 924 -7.204 -6.125 10.124 42 H VAL 925 H VAL 925 -5.384 -11.290 3.570 43 HA VAL 925 HA VAL 925 -3.437 -9.362 3.049 44 HB VAL 925 HB VAL 925 -2.863 -10.838 1.074 45 1HG1 VAL 925 1HG1 VAL 925 -2.082 -12.690 2.523 46 2HG1 VAL 925 2HG1 VAL 925 -1.753 -11.096 3.204 47 3HG1 VAL 925 3HG1 VAL 925 -3.093 -12.061 3.824 48 1HG2 VAL 925 1HG2 VAL 925 -5.099 -12.512 2.229 49 2HG2 VAL 925 2HG2 VAL 925 -5.072 -11.756 0.635 50 3HG2 VAL 925 3HG2 VAL 925 -3.939 -13.052 1.015 51 H TYR 926 H TYR 926 -6.261 -10.369 0.950 52 HA TYR 926 HA TYR 926 -5.517 -8.278 -0.956 53 1HB TYR 926 HB1 TYR 926 -6.573 -10.287 -1.819 54 2HB TYR 926 HB2 TYR 926 -7.953 -10.085 -0.744 55 HD1 TYR 926 HD1 TYR 926 -6.135 -8.180 -3.397 56 HD2 TYR 926 HD2 TYR 926 -9.868 -9.181 -1.626 57 HE1 TYR 926 HE1 TYR 926 -7.294 -6.864 -5.122 58 HE2 TYR 926 HE2 TYR 926 -11.045 -7.867 -3.347 59 HH TYR 926 HH TYR 926 -10.589 -6.015 -4.895 60 H GLU 927 H GLU 927 -7.560 -8.758 1.785 61 HA GLU 927 HA GLU 927 -9.408 -6.686 1.462 62 1HB GLU 927 HB1 GLU 927 -8.335 -8.101 3.888 63 2HB GLU 927 HB2 GLU 927 -9.597 -6.887 3.991 64 1HG GLU 927 HG1 GLU 927 -10.994 -8.243 2.490 65 2HG GLU 927 HG2 GLU 927 -9.729 -9.472 2.464 66 H ASN 928 H ASN 928 -6.575 -6.688 3.663 67 HA ASN 928 HA ASN 928 -6.984 -3.964 4.347 68 1HB ASN 928 HB1 ASN 928 -5.728 -5.781 5.689 69 2HB ASN 928 HB2 ASN 928 -4.340 -5.346 4.693 70 1HD2 ASN 928 2HD2 ASN 928 -3.566 -3.155 4.798 71 2HD2 ASN 928 1HD2 ASN 928 -3.849 -2.196 6.210 72 H VAL 929 H VAL 929 -4.850 -5.570 2.021 73 HA VAL 929 HA VAL 929 -3.286 -3.336 1.388 74 HB VAL 929 HB VAL 929 -2.773 -5.666 0.697 75 1HG1 VAL 929 1HG1 VAL 929 -4.852 -5.160 -1.413 76 2HG1 VAL 929 2HG1 VAL 929 -3.745 -6.531 -1.365 77 3HG1 VAL 929 3HG1 VAL 929 -4.956 -6.331 -0.097 78 1HG2 VAL 929 1HG2 VAL 929 -1.725 -5.055 -1.399 79 2HG2 VAL 929 2HG2 VAL 929 -2.793 -3.659 -1.551 80 3HG2 VAL 929 3HG2 VAL 929 -1.606 -3.724 -0.247 81 H THR 930 H THR 930 -6.393 -4.390 0.007 82 HA THR 930 HA THR 930 -6.641 -2.232 -1.817 83 HB THR 930 HB THR 930 -8.850 -3.768 -0.413 84 HG1 THR 930 HG1 THR 930 -7.762 -5.285 -1.549 85 1HG2 THR 930 1HG2 THR 930 -10.212 -3.123 -2.350 86 2HG2 THR 930 2HG2 THR 930 -9.645 -1.710 -1.460 87 3HG2 THR 930 3HG2 THR 930 -8.866 -2.170 -2.976 88 H GLY 931 H GLY 931 -7.390 -2.734 1.545 89 1HA GLY 931 HA1 GLY 931 -8.614 -0.342 2.227 90 2HA GLY 931 HA2 GLY 931 -7.566 -1.261 3.294 91 H LEU 932 H LEU 932 -5.165 -0.929 1.575 92 HA LEU 932 HA LEU 932 -4.234 1.580 2.480 93 1HB LEU 932 HB1 LEU 932 -3.216 -0.306 0.378 94 2HB LEU 932 HB2 LEU 932 -2.478 1.265 0.601 95 HG LEU 932 HG LEU 932 -2.187 0.516 3.074 96 1HD1 LEU 932 1HD1 LEU 932 -2.543 -2.133 1.703 97 2HD1 LEU 932 2HD1 LEU 932 -1.923 -1.885 3.336 98 3HD1 LEU 932 3HD1 LEU 932 -3.588 -1.452 2.949 99 1HD2 LEU 932 1HD2 LEU 932 -0.380 0.906 1.482 100 2HD2 LEU 932 2HD2 LEU 932 -0.050 -0.492 2.506 101 3HD2 LEU 932 3HD2 LEU 932 -0.589 -0.724 0.843 102 H VAL 933 H VAL 933 -5.405 0.491 -0.683 103 HA VAL 933 HA VAL 933 -5.198 2.999 -1.961 104 HB VAL 933 HB VAL 933 -7.162 0.776 -2.557 105 1HG1 VAL 933 1HG1 VAL 933 -7.222 1.729 -4.818 106 2HG1 VAL 933 2HG1 VAL 933 -7.809 2.875 -3.611 107 3HG1 VAL 933 3HG1 VAL 933 -6.187 3.053 -4.281 108 1HG2 VAL 933 1HG2 VAL 933 -4.399 1.310 -3.650 109 2HG2 VAL 933 2HG2 VAL 933 -4.870 -0.028 -2.599 110 3HG2 VAL 933 3HG2 VAL 933 -5.510 0.071 -4.239 111 H LYS 934 H LYS 934 -7.820 1.545 -0.081 112 HA LYS 934 HA LYS 934 -9.645 3.671 -0.387 113 1HB LYS 934 HB1 LYS 934 -9.441 1.870 2.025 114 2HB LYS 934 HB2 LYS 934 -10.861 2.723 1.448 115 1HG LYS 934 HG1 LYS 934 -9.499 0.453 0.010 116 2HG LYS 934 HG2 LYS 934 -10.937 0.303 1.014 117 1HD LYS 934 HD1 LYS 934 -11.856 0.406 -1.096 118 2HD LYS 934 HD2 LYS 934 -11.910 2.102 -0.618 119 1HE LYS 934 HE1 LYS 934 -9.971 2.603 -1.914 120 2HE LYS 934 HE2 LYS 934 -9.658 0.896 -2.213 121 1HZ LYS 934 HZ1 LYS 934 -11.572 0.753 -3.587 122 2HZ LYS 934 HZ2 LYS 934 -12.085 2.315 -3.169 123 3HZ LYS 934 HZ3 LYS 934 -10.682 2.102 -4.103 124 H ALA 935 H ALA 935 -6.949 3.137 1.770 125 HA ALA 935 HA ALA 935 -7.554 5.346 3.491 126 1HB ALA 935 HB1 ALA 935 -6.290 3.428 4.301 127 2HB ALA 935 HB2 ALA 935 -4.985 3.809 3.176 128 3HB ALA 935 HB3 ALA 935 -5.378 4.926 4.483 129 H VAL 936 H VAL 936 -5.730 4.930 0.520 130 HA VAL 936 HA VAL 936 -4.665 7.590 0.745 131 HB VAL 936 HB VAL 936 -3.461 5.830 -0.527 132 1HG1 VAL 936 1HG1 VAL 936 -5.339 4.787 -1.672 133 2HG1 VAL 936 2HG1 VAL 936 -5.618 6.264 -2.594 134 3HG1 VAL 936 3HG1 VAL 936 -4.133 5.341 -2.831 135 1HG2 VAL 936 1HG2 VAL 936 -2.769 7.293 -2.380 136 2HG2 VAL 936 2HG2 VAL 936 -4.152 8.337 -2.051 137 3HG2 VAL 936 3HG2 VAL 936 -2.882 8.148 -0.842 138 H ILE 937 H ILE 937 -7.645 6.261 0.005 139 HA ILE 937 HA ILE 937 -8.661 8.511 -1.444 140 HB ILE 937 HB ILE 937 -10.138 6.474 0.239 141 1HG1 ILE 937 1HG1 ILE 937 -9.787 6.721 -2.758 142 2HG1 ILE 937 2HG1 ILE 937 -9.027 5.514 -1.728 143 1HG2 ILE 937 1HG2 ILE 937 -11.410 8.543 0.079 144 2HG2 ILE 937 2HG2 ILE 937 -11.213 8.548 -1.673 145 3HG2 ILE 937 3HG2 ILE 937 -12.165 7.282 -0.897 146 1HD1 ILE 937 1HD1 ILE 937 -10.920 4.589 -2.930 147 2HD1 ILE 937 2HD1 ILE 937 -11.215 4.590 -1.190 148 3HD1 ILE 937 3HD1 ILE 937 -11.981 5.804 -2.215 149 H GLU 938 H GLU 938 -8.345 7.568 1.946 150 HA GLU 938 HA GLU 938 -9.412 9.770 3.236 151 1HB GLU 938 HB1 GLU 938 -6.800 8.371 3.894 152 2HB GLU 938 HB2 GLU 938 -7.652 9.471 4.969 153 1HG GLU 938 HG1 GLU 938 -8.682 6.825 3.962 154 2HG GLU 938 HG2 GLU 938 -8.078 7.168 5.583 155 H MET 939 H MET 939 -6.318 9.415 1.618 156 HA MET 939 HA MET 939 -5.205 11.912 2.184 157 1HB MET 939 HB1 MET 939 -3.914 10.122 1.178 158 2HB MET 939 HB2 MET 939 -4.936 10.128 -0.248 159 1HG MET 939 HG1 MET 939 -3.352 12.544 0.528 160 2HG MET 939 HG2 MET 939 -2.616 11.217 -0.364 161 1HE MET 939 HE1 MET 939 -3.313 10.505 -2.817 162 2HE MET 939 HE2 MET 939 -4.962 10.234 -2.250 163 3HE MET 939 HE3 MET 939 -4.676 11.209 -3.691 164 H SER 940 H SER 940 -7.288 10.889 -0.503 165 HA SER 940 HA SER 940 -7.422 13.393 -1.771 166 1HB SER 940 HB1 SER 940 -9.443 11.138 -1.796 167 2HB SER 940 HB2 SER 940 -9.375 12.469 -2.951 168 HG SER 940 HG SER 940 -7.223 11.723 -3.475 169 H SER 941 H SER 941 -9.161 12.064 0.972 170 HA SER 941 HA SER 941 -11.320 13.991 0.790 171 1HB SER 941 HB1 SER 941 -10.588 12.203 3.123 172 2HB SER 941 HB2 SER 941 -12.151 12.959 2.806 173 HG SER 941 HG SER 941 -10.930 11.083 1.053 174 H LYS 942 H LYS 942 -8.516 13.355 2.739 175 HA LYS 942 HA LYS 942 -8.638 15.374 4.615 176 1HB LYS 942 HB1 LYS 942 -6.574 13.628 3.435 177 2HB LYS 942 HB2 LYS 942 -5.984 15.072 4.250 178 1HG LYS 942 HG1 LYS 942 -7.919 13.179 5.535 179 2HG LYS 942 HG2 LYS 942 -6.162 12.989 5.649 180 1HD LYS 942 HD1 LYS 942 -5.904 14.814 6.946 181 2HD LYS 942 HD2 LYS 942 -7.253 15.672 6.183 182 1HE LYS 942 HE1 LYS 942 -7.672 15.066 8.568 183 2HE LYS 942 HE2 LYS 942 -8.852 14.385 7.450 184 1HZ LYS 942 HZ1 LYS 942 -8.135 12.779 9.125 185 2HZ LYS 942 HZ2 LYS 942 -7.716 12.267 7.565 186 3HZ LYS 942 HZ3 LYS 942 -6.531 12.917 8.593 187 H ILE 943 H ILE 943 -7.113 15.379 1.418 188 HA ILE 943 HA ILE 943 -5.953 17.909 1.785 189 HB ILE 943 HB ILE 943 -5.029 16.323 0.181 190 1HG1 ILE 943 1HG1 ILE 943 -6.040 18.828 -1.182 191 2HG1 ILE 943 2HG1 ILE 943 -4.581 18.702 -0.204 192 1HG2 ILE 943 1HG2 ILE 943 -6.143 15.889 -1.968 193 2HG2 ILE 943 2HG2 ILE 943 -7.056 15.268 -0.593 194 3HG2 ILE 943 3HG2 ILE 943 -7.563 16.760 -1.387 195 1HD1 ILE 943 1HD1 ILE 943 -5.075 17.258 -2.798 196 2HD1 ILE 943 2HD1 ILE 943 -4.089 18.706 -2.592 197 3HD1 ILE 943 3HD1 ILE 943 -3.601 17.192 -1.829 198 H GLN 944 H GLN 944 -9.075 16.879 0.637 199 HA GLN 944 HA GLN 944 -9.859 19.036 -0.893 200 1HB GLN 944 HB1 GLN 944 -11.468 17.230 0.892 201 2HB GLN 944 HB2 GLN 944 -12.214 18.468 -0.111 202 1HG GLN 944 HG1 GLN 944 -11.355 17.437 -2.106 203 2HG GLN 944 HG2 GLN 944 -10.458 16.259 -1.147 204 1HE2 GLN 944 2HE2 GLN 944 -11.493 14.529 -2.119 205 2HE2 GLN 944 1HE2 GLN 944 -13.141 14.118 -1.773 206 HA PRO 945 HA PRO 945 -11.810 21.416 2.664 207 1HB PRO 945 HB1 PRO 945 -11.164 20.350 5.266 208 2HB PRO 945 HB2 PRO 945 -12.739 20.479 4.481 209 1HG PRO 945 HG1 PRO 945 -11.482 18.102 4.975 210 2HG PRO 945 HG2 PRO 945 -12.646 18.350 3.662 211 1HD PRO 945 HD1 PRO 945 -9.651 18.328 3.559 212 2HD PRO 945 HD2 PRO 945 -10.823 17.611 2.431 213 H ALA 946 H ALA 946 -8.580 20.254 3.628 214 HA ALA 946 HA ALA 946 -8.182 22.795 5.072 215 1HB ALA 946 HB1 ALA 946 -6.512 21.654 6.383 216 2HB ALA 946 HB2 ALA 946 -8.009 20.722 6.386 217 3HB ALA 946 HB3 ALA 946 -6.657 20.216 5.372 218 HA PRO 947 HA PRO 947 -4.579 23.909 2.553 219 1HB PRO 947 HB1 PRO 947 -3.261 24.875 4.987 220 2HB PRO 947 HB2 PRO 947 -3.859 25.801 3.610 221 1HG PRO 947 HG1 PRO 947 -5.027 25.921 6.033 222 2HG PRO 947 HG2 PRO 947 -5.956 26.060 4.528 223 1HD PRO 947 HD1 PRO 947 -5.595 23.674 6.315 224 2HD PRO 947 HD2 PRO 947 -7.077 24.297 5.555 225 HA PRO 948 HA PRO 948 -1.251 21.066 2.594 226 1HB PRO 948 HB1 PRO 948 0.677 22.969 3.841 227 2HB PRO 948 HB2 PRO 948 0.863 21.966 2.396 228 1HG PRO 948 HG1 PRO 948 0.354 24.552 2.148 229 2HG PRO 948 HG2 PRO 948 -0.452 23.380 1.089 230 1HD PRO 948 HD1 PRO 948 -1.531 24.883 3.428 231 2HD PRO 948 HD2 PRO 948 -2.336 24.411 1.919 232 H GLU 949 H GLU 949 -1.780 22.564 5.647 233 HA GLU 949 HA GLU 949 -0.323 20.881 7.317 234 1HB GLU 949 HB1 GLU 949 -2.082 21.306 8.991 235 2HB GLU 949 HB2 GLU 949 -1.442 22.767 8.246 236 1HG GLU 949 HG1 GLU 949 -3.400 23.066 6.959 237 2HG GLU 949 HG2 GLU 949 -3.984 21.446 7.346 238 H GLU 950 H GLU 950 -3.107 20.195 5.341 239 HA GLU 950 HA GLU 950 -3.579 17.714 6.774 240 1HB GLU 950 HB1 GLU 950 -5.126 17.237 4.777 241 2HB GLU 950 HB2 GLU 950 -5.598 18.496 5.904 242 1HG GLU 950 HG1 GLU 950 -6.035 19.125 3.587 243 2HG GLU 950 HG2 GLU 950 -4.880 20.208 4.349 244 H TYR 951 H TYR 951 -1.640 18.871 4.255 245 HA TYR 951 HA TYR 951 -1.604 16.757 2.474 246 1HB TYR 951 HB1 TYR 951 -0.296 19.184 2.704 247 2HB TYR 951 HB2 TYR 951 1.012 18.007 2.803 248 HD1 TYR 951 HD1 TYR 951 1.780 16.898 0.882 249 HD2 TYR 951 HD2 TYR 951 -1.867 19.080 0.749 250 HE1 TYR 951 HE1 TYR 951 1.709 16.609 -1.557 251 HE2 TYR 951 HE2 TYR 951 -1.947 18.799 -1.695 252 HH TYR 951 HH TYR 951 -0.105 16.582 -3.350 253 H VAL 952 H VAL 952 0.554 17.378 5.237 254 HA VAL 952 HA VAL 952 1.730 14.789 4.831 255 HB VAL 952 HB VAL 952 3.338 16.104 5.706 256 1HG1 VAL 952 1HG1 VAL 952 2.024 18.034 6.309 257 2HG1 VAL 952 2HG1 VAL 952 1.365 17.198 7.715 258 3HG1 VAL 952 3HG1 VAL 952 3.078 17.611 7.657 259 1HG2 VAL 952 1HG2 VAL 952 3.856 15.359 7.989 260 2HG2 VAL 952 2HG2 VAL 952 2.210 14.745 8.155 261 3HG2 VAL 952 3HG2 VAL 952 3.300 14.034 6.965 262 HA PRO 953 HA PRO 953 -1.052 13.484 8.678 263 1HB PRO 953 HB1 PRO 953 -3.311 15.250 7.892 264 2HB PRO 953 HB2 PRO 953 -2.884 14.614 9.492 265 1HG PRO 953 HG1 PRO 953 -2.298 17.111 8.928 266 2HG PRO 953 HG2 PRO 953 -1.086 16.093 9.733 267 1HD PRO 953 HD1 PRO 953 -1.255 16.913 6.851 268 2HD PRO 953 HD2 PRO 953 0.167 16.817 7.911 269 H MET 954 H MET 954 -2.201 14.425 5.439 270 HA MET 954 HA MET 954 -4.074 12.271 5.378 271 1HB MET 954 HB1 MET 954 -4.458 12.775 3.072 272 2HB MET 954 HB2 MET 954 -4.332 14.288 3.949 273 1HG MET 954 HG1 MET 954 -2.074 14.595 3.120 274 2HG MET 954 HG2 MET 954 -2.170 13.053 2.268 275 1HE MET 954 HE1 MET 954 -2.303 15.647 -0.655 276 2HE MET 954 HE2 MET 954 -1.357 15.748 0.829 277 3HE MET 954 HE3 MET 954 -1.501 14.211 -0.021 278 H VAL 955 H VAL 955 -0.768 12.726 4.155 279 HA VAL 955 HA VAL 955 -0.463 10.127 3.212 280 HB VAL 955 HB VAL 955 1.271 12.125 3.221 281 1HG1 VAL 955 1HG1 VAL 955 3.177 11.668 4.680 282 2HG1 VAL 955 2HG1 VAL 955 1.740 12.115 5.598 283 3HG1 VAL 955 3HG1 VAL 955 2.240 10.426 5.510 284 1HG2 VAL 955 1HG2 VAL 955 2.045 9.214 3.251 285 2HG2 VAL 955 2HG2 VAL 955 1.367 10.090 1.880 286 3HG2 VAL 955 3HG2 VAL 955 2.959 10.523 2.503 287 H LYS 956 H LYS 956 -0.575 11.335 6.466 288 HA LYS 956 HA LYS 956 0.487 9.129 7.846 289 1HB LYS 956 HB1 LYS 956 -0.118 11.120 9.060 290 2HB LYS 956 HB2 LYS 956 -1.794 10.990 8.543 291 1HG LYS 956 HG1 LYS 956 -2.139 9.066 9.921 292 2HG LYS 956 HG2 LYS 956 -0.422 8.985 10.321 293 1HD LYS 956 HD1 LYS 956 -1.841 9.981 12.113 294 2HD LYS 956 HD2 LYS 956 -0.544 11.035 11.550 295 1HE LYS 956 HE1 LYS 956 -2.589 12.300 11.836 296 2HE LYS 956 HE2 LYS 956 -2.147 12.233 10.132 297 1HZ LYS 956 HZ1 LYS 956 -3.793 10.486 9.807 298 2HZ LYS 956 HZ2 LYS 956 -4.209 10.545 11.451 299 3HZ LYS 956 HZ3 LYS 956 -4.508 11.879 10.453 300 H GLU 957 H GLU 957 -2.682 9.752 6.548 301 HA GLU 957 HA GLU 957 -4.025 7.474 7.344 302 1HB GLU 957 HB1 GLU 957 -4.470 8.826 4.677 303 2HB GLU 957 HB2 GLU 957 -5.651 7.990 5.674 304 1HG GLU 957 HG1 GLU 957 -4.313 10.617 6.280 305 2HG GLU 957 HG2 GLU 957 -5.996 10.359 5.828 306 H VAL 958 H VAL 958 -2.123 7.939 4.331 307 HA VAL 958 HA VAL 958 -2.575 5.258 3.459 308 HB VAL 958 HB VAL 958 -1.150 5.671 1.633 309 1HG1 VAL 958 1HG1 VAL 958 -2.404 8.305 2.394 310 2HG1 VAL 958 2HG1 VAL 958 -1.910 7.823 0.770 311 3HG1 VAL 958 3HG1 VAL 958 -3.208 6.957 1.592 312 1HG2 VAL 958 1HG2 VAL 958 0.816 6.469 2.832 313 2HG2 VAL 958 2HG2 VAL 958 0.421 7.538 1.487 314 3HG2 VAL 958 3HG2 VAL 958 0.019 8.012 3.137 315 H GLY 959 H GLY 959 -0.121 6.772 5.461 316 1HA GLY 959 HA1 GLY 959 1.722 4.582 5.303 317 2HA GLY 959 HA2 GLY 959 1.743 5.861 6.502 318 H LEU 960 H LEU 960 -0.693 5.571 7.717 319 HA LEU 960 HA LEU 960 -0.548 3.343 9.384 320 1HB LEU 960 HB1 LEU 960 -1.890 5.361 9.844 321 2HB LEU 960 HB2 LEU 960 -2.999 4.914 8.562 322 HG LEU 960 HG LEU 960 -3.623 2.889 9.828 323 1HD1 LEU 960 1HD1 LEU 960 -1.561 2.558 11.063 324 2HD1 LEU 960 2HD1 LEU 960 -1.840 4.049 11.963 325 3HD1 LEU 960 3HD1 LEU 960 -2.932 2.679 12.167 326 1HD2 LEU 960 1HD2 LEU 960 -4.952 4.910 10.054 327 2HD2 LEU 960 2HD2 LEU 960 -4.887 4.040 11.586 328 3HD2 LEU 960 3HD2 LEU 960 -3.898 5.481 11.347 329 H ALA 961 H ALA 961 -2.139 3.819 6.326 330 HA ALA 961 HA ALA 961 -3.513 1.397 6.083 331 1HB ALA 961 HB1 ALA 961 -2.143 2.933 3.881 332 2HB ALA 961 HB2 ALA 961 -3.416 1.729 3.681 333 3HB ALA 961 HB3 ALA 961 -3.762 3.250 4.502 334 H LEU 962 H LEU 962 -0.149 2.176 5.093 335 HA LEU 962 HA LEU 962 0.420 -0.496 4.354 336 1HB LEU 962 HB1 LEU 962 1.802 1.087 3.378 337 2HB LEU 962 HB2 LEU 962 2.121 1.903 4.902 338 HG LEU 962 HG LEU 962 3.405 -0.179 5.597 339 1HD1 LEU 962 1HD1 LEU 962 3.235 -0.772 2.648 340 2HD1 LEU 962 2HD1 LEU 962 4.193 -1.646 3.845 341 3HD1 LEU 962 3HD1 LEU 962 2.431 -1.687 3.925 342 1HD2 LEU 962 1HD2 LEU 962 5.404 0.457 4.326 343 2HD2 LEU 962 2HD2 LEU 962 4.395 1.419 3.244 344 3HD2 LEU 962 3HD2 LEU 962 4.534 1.861 4.946 345 H ARG 963 H ARG 963 0.909 1.254 7.458 346 HA ARG 963 HA ARG 963 2.248 -0.850 8.714 347 1HB ARG 963 HB1 ARG 963 1.888 1.525 9.585 348 2HB ARG 963 HB2 ARG 963 0.336 0.946 10.182 349 1HG ARG 963 HG1 ARG 963 1.444 -0.726 11.543 350 2HG ARG 963 HG2 ARG 963 3.012 -0.238 10.899 351 1HD ARG 963 HD1 ARG 963 2.866 0.811 12.984 352 2HD ARG 963 HD2 ARG 963 2.486 2.074 11.818 353 HE ARG 963 HE ARG 963 0.132 0.765 12.767 354 1HH1 ARG 963 2HH1 ARG 963 2.541 3.195 13.567 355 2HH1 ARG 963 1HH1 ARG 963 1.500 4.047 14.674 356 1HH2 ARG 963 2HH2 ARG 963 -1.229 1.868 14.252 357 2HH2 ARG 963 1HH2 ARG 963 -0.618 3.266 15.090 358 H THR 964 H THR 964 -1.277 -0.166 8.776 359 HA THR 964 HA THR 964 -2.064 -2.541 10.015 360 HB THR 964 HB THR 964 -4.190 -2.384 8.638 361 HG1 THR 964 HG1 THR 964 -3.097 0.084 7.749 362 1HG2 THR 964 1HG2 THR 964 -3.301 0.106 10.090 363 2HG2 THR 964 2HG2 THR 964 -4.970 -0.339 9.728 364 3HG2 THR 964 3HG2 THR 964 -4.009 -1.331 10.827 365 H LEU 965 H LEU 965 -1.163 -1.913 6.689 366 HA LEU 965 HA LEU 965 -1.745 -4.433 5.605 367 1HB LEU 965 HB1 LEU 965 -1.275 -2.499 4.229 368 2HB LEU 965 HB2 LEU 965 0.362 -2.425 4.851 369 HG LEU 965 HG LEU 965 0.809 -4.637 3.814 370 1HD1 LEU 965 1HD1 LEU 965 -0.756 -5.458 2.114 371 2HD1 LEU 965 2HD1 LEU 965 -1.453 -5.495 3.734 372 3HD1 LEU 965 3HD1 LEU 965 -1.919 -4.224 2.603 373 1HD2 LEU 965 1HD2 LEU 965 1.462 -2.589 2.705 374 2HD2 LEU 965 2HD2 LEU 965 0.926 -3.780 1.521 375 3HD2 LEU 965 3HD2 LEU 965 -0.137 -2.449 1.976 376 H LEU 966 H LEU 966 1.011 -3.191 7.356 377 HA LEU 966 HA LEU 966 2.831 -5.266 6.889 378 1HB LEU 966 HB1 LEU 966 2.490 -3.554 9.347 379 2HB LEU 966 HB2 LEU 966 3.852 -4.624 9.078 380 HG LEU 966 HG LEU 966 3.125 -2.237 7.376 381 1HD1 LEU 966 1HD1 LEU 966 5.384 -2.674 9.323 382 2HD1 LEU 966 2HD1 LEU 966 5.177 -1.263 8.284 383 3HD1 LEU 966 3HD1 LEU 966 4.001 -1.604 9.554 384 1HD2 LEU 966 1HD2 LEU 966 5.248 -2.651 6.246 385 2HD2 LEU 966 2HD2 LEU 966 5.484 -4.111 7.208 386 3HD2 LEU 966 3HD2 LEU 966 4.149 -4.019 6.058 387 H ALA 967 H ALA 967 0.157 -5.074 9.188 388 HA ALA 967 HA ALA 967 0.689 -7.516 10.531 389 1HB ALA 967 HB1 ALA 967 -1.977 -6.193 10.009 390 2HB ALA 967 HB2 ALA 967 -1.662 -7.458 11.198 391 3HB ALA 967 HB3 ALA 967 -0.918 -5.870 11.383 392 H THR 968 H THR 968 -1.214 -6.690 7.698 393 HA THR 968 HA THR 968 -2.077 -9.252 6.951 394 HB THR 968 HB THR 968 -1.524 -6.727 5.418 395 HG1 THR 968 HG1 THR 968 -4.034 -7.831 5.382 396 1HG2 THR 968 1HG2 THR 968 -2.557 -7.730 3.455 397 2HG2 THR 968 2HG2 THR 968 -1.076 -8.582 3.895 398 3HG2 THR 968 3HG2 THR 968 -2.646 -9.282 4.287 399 H VAL 969 H VAL 969 0.824 -7.440 6.102 400 HA VAL 969 HA VAL 969 2.060 -9.241 4.414 401 HB VAL 969 HB VAL 969 3.346 -7.388 6.428 402 1HG1 VAL 969 1HG1 VAL 969 4.598 -8.826 4.091 403 2HG1 VAL 969 2HG1 VAL 969 5.378 -7.580 5.067 404 3HG1 VAL 969 3HG1 VAL 969 4.928 -9.121 5.799 405 1HG2 VAL 969 1HG2 VAL 969 2.851 -7.083 3.468 406 2HG2 VAL 969 2HG2 VAL 969 1.953 -6.278 4.755 407 3HG2 VAL 969 3HG2 VAL 969 3.662 -5.914 4.512 408 H ASP 970 H ASP 970 1.912 -9.266 7.937 409 HA ASP 970 HA ASP 970 3.828 -11.358 8.253 410 1HB ASP 970 HB1 ASP 970 3.187 -9.701 10.046 411 2HB ASP 970 HB2 ASP 970 1.668 -10.574 10.216 412 H GLU 971 H GLU 971 0.461 -11.311 7.564 413 HA GLU 971 HA GLU 971 -0.001 -14.099 8.068 414 1HB GLU 971 HB1 GLU 971 -1.347 -12.341 5.997 415 2HB GLU 971 HB2 GLU 971 -1.966 -13.852 6.651 416 1HG GLU 971 HG1 GLU 971 -1.469 -11.385 8.295 417 2HG GLU 971 HG2 GLU 971 -3.031 -11.805 7.578 418 H SER 972 H SER 972 0.854 -12.186 5.283 419 HA SER 972 HA SER 972 1.195 -14.316 3.471 420 1HB SER 972 HB1 SER 972 0.693 -12.079 2.714 421 2HB SER 972 HB2 SER 972 2.195 -11.463 3.426 422 HG SER 972 HG SER 972 3.246 -13.049 1.962 423 H LEU 973 H LEU 973 3.278 -12.949 5.894 424 HA LEU 973 HA LEU 973 5.761 -13.637 4.771 425 1HB LEU 973 HB1 LEU 973 4.894 -13.093 7.593 426 2HB LEU 973 HB2 LEU 973 6.534 -13.599 7.236 427 HG LEU 973 HG LEU 973 5.199 -11.144 6.093 428 1HD1 LEU 973 1HD1 LEU 973 6.725 -9.905 7.557 429 2HD1 LEU 973 2HD1 LEU 973 5.594 -10.900 8.474 430 3HD1 LEU 973 3HD1 LEU 973 7.265 -11.425 8.270 431 1HD2 LEU 973 1HD2 LEU 973 7.456 -10.580 5.321 432 2HD2 LEU 973 2HD2 LEU 973 8.045 -12.131 5.921 433 3HD2 LEU 973 3HD2 LEU 973 6.876 -12.082 4.601 434 HA PRO 974 HA PRO 974 5.594 -17.907 7.112 435 1HB PRO 974 HB1 PRO 974 2.945 -18.766 7.363 436 2HB PRO 974 HB2 PRO 974 4.007 -18.299 8.694 437 1HG PRO 974 HG1 PRO 974 1.899 -16.729 7.308 438 2HG PRO 974 HG2 PRO 974 2.385 -16.706 9.013 439 1HD PRO 974 HD1 PRO 974 3.092 -14.747 7.323 440 2HD PRO 974 HD2 PRO 974 4.181 -15.297 8.612 441 H VAL 975 H VAL 975 3.105 -16.621 4.958 442 HA VAL 975 HA VAL 975 3.169 -18.968 3.251 443 HB VAL 975 HB VAL 975 2.204 -16.309 2.285 444 1HG1 VAL 975 1HG1 VAL 975 0.595 -17.760 1.106 445 2HG1 VAL 975 2HG1 VAL 975 2.270 -18.147 0.713 446 3HG1 VAL 975 3HG1 VAL 975 1.367 -19.171 1.832 447 1HG2 VAL 975 1HG2 VAL 975 0.657 -18.200 4.062 448 2HG2 VAL 975 2HG2 VAL 975 1.254 -16.610 4.537 449 3HG2 VAL 975 3HG2 VAL 975 0.023 -16.752 3.282 450 H LEU 976 H LEU 976 5.279 -16.373 3.717 451 HA LEU 976 HA LEU 976 6.327 -16.113 1.112 452 1HB LEU 976 HB1 LEU 976 6.820 -14.386 2.619 453 2HB LEU 976 HB2 LEU 976 7.450 -15.484 3.828 454 HG LEU 976 HG LEU 976 8.887 -15.114 1.208 455 1HD1 LEU 976 1HD1 LEU 976 10.201 -13.327 2.260 456 2HD1 LEU 976 2HD1 LEU 976 8.508 -12.870 2.074 457 3HD1 LEU 976 3HD1 LEU 976 9.121 -13.361 3.654 458 1HD2 LEU 976 1HD2 LEU 976 10.849 -15.650 2.562 459 2HD2 LEU 976 2HD2 LEU 976 9.838 -15.741 4.006 460 3HD2 LEU 976 3HD2 LEU 976 9.626 -16.914 2.707 461 HA PRO 977 HA PRO 977 9.579 -19.537 2.312 462 1HB PRO 977 HB1 PRO 977 8.133 -20.920 4.505 463 2HB PRO 977 HB2 PRO 977 9.861 -20.602 4.326 464 1HG PRO 977 HG1 PRO 977 8.393 -19.236 6.080 465 2HG PRO 977 HG2 PRO 977 9.684 -18.446 5.152 466 1HD PRO 977 HD1 PRO 977 6.723 -18.370 4.726 467 2HD PRO 977 HD2 PRO 977 7.911 -17.060 4.591 468 H ALA 978 H ALA 978 6.132 -19.964 2.885 469 HA ALA 978 HA ALA 978 5.791 -22.461 1.677 470 1HB ALA 978 HB1 ALA 978 3.854 -20.150 1.759 471 2HB ALA 978 HB2 ALA 978 3.446 -21.836 1.442 472 3HB ALA 978 HB3 ALA 978 4.069 -21.362 3.023 473 H SER 979 H SER 979 5.451 -19.196 0.229 474 HA SER 979 HA SER 979 6.419 -20.044 -2.312 475 1HB SER 979 HB1 SER 979 3.471 -20.008 -1.823 476 2HB SER 979 HB2 SER 979 4.068 -19.461 -3.397 477 HG SER 979 HG SER 979 4.570 -21.976 -2.160 478 H THR 980 H THR 980 4.595 -17.648 -0.486 479 HA THR 980 HA THR 980 4.381 -15.635 -2.379 480 HB THR 980 HB THR 980 4.678 -15.091 0.562 481 HG1 THR 980 HG1 THR 980 2.599 -15.795 0.793 482 1HG2 THR 980 1HG2 THR 980 4.486 -13.137 -0.907 483 2HG2 THR 980 2HG2 THR 980 3.035 -13.823 -1.639 484 3HG2 THR 980 3HG2 THR 980 3.021 -13.343 0.057 485 H HIS 981 H HIS 981 7.247 -16.577 -0.770 486 HA HIS 981 HA HIS 981 8.632 -14.292 -0.257 487 1HB HIS 981 HB1 HIS 981 10.720 -15.553 -0.705 488 2HB HIS 981 HB2 HIS 981 9.566 -16.453 0.268 489 HD1 HIS 981 HD1 HIS 981 8.891 -18.714 -0.569 490 HD2 HIS 981 HD2 HIS 981 10.894 -16.489 -3.454 491 HE1 HIS 981 HE1 HIS 981 9.310 -20.298 -2.477 492 HE2 HIS 981 HE2 HIS 981 10.657 -18.973 -4.146 493 H ARG 982 H ARG 982 7.685 -15.263 -3.401 494 HA ARG 982 HA ARG 982 9.793 -13.772 -4.743 495 1HB ARG 982 HB1 ARG 982 7.186 -14.737 -5.928 496 2HB ARG 982 HB2 ARG 982 8.584 -14.155 -6.816 497 1HG ARG 982 HG1 ARG 982 9.788 -16.134 -5.591 498 2HG ARG 982 HG2 ARG 982 8.142 -16.759 -5.459 499 1HD ARG 982 HD1 ARG 982 9.726 -16.140 -7.932 500 2HD ARG 982 HD2 ARG 982 8.966 -17.660 -7.467 501 HE ARG 982 HE ARG 982 6.817 -16.155 -7.741 502 1HH1 ARG 982 2HH1 ARG 982 9.678 -16.301 -9.766 503 2HH1 ARG 982 1HH1 ARG 982 8.832 -15.841 -11.219 504 1HH2 ARG 982 2HH2 ARG 982 5.699 -15.533 -9.659 505 2HH2 ARG 982 1HH2 ARG 982 6.581 -15.381 -11.151 506 H GLU 983 H GLU 983 6.276 -13.350 -4.320 507 HA GLU 983 HA GLU 983 6.393 -10.688 -5.367 508 1HB GLU 983 HB1 GLU 983 4.293 -12.547 -4.713 509 2HB GLU 983 HB2 GLU 983 3.935 -10.938 -4.132 510 1HG GLU 983 HG1 GLU 983 3.051 -11.050 -6.277 511 2HG GLU 983 HG2 GLU 983 4.526 -10.089 -6.388 512 H ILE 984 H ILE 984 5.933 -12.067 -2.136 513 HA ILE 984 HA ILE 984 5.082 -9.665 -0.960 514 HB ILE 984 HB ILE 984 4.816 -11.916 0.076 515 1HG1 ILE 984 1HG1 ILE 984 4.699 -9.682 1.359 516 2HG1 ILE 984 2HG1 ILE 984 4.842 -11.162 2.298 517 1HG2 ILE 984 1HG2 ILE 984 6.664 -12.864 1.380 518 2HG2 ILE 984 2HG2 ILE 984 7.024 -12.812 -0.346 519 3HG2 ILE 984 3HG2 ILE 984 7.743 -11.624 0.742 520 1HD1 ILE 984 1HD1 ILE 984 7.081 -9.252 1.665 521 2HD1 ILE 984 2HD1 ILE 984 6.238 -9.401 3.207 522 3HD1 ILE 984 3HD1 ILE 984 7.225 -10.736 2.608 523 H GLU 985 H GLU 985 8.250 -10.971 -1.637 524 HA GLU 985 HA GLU 985 9.673 -8.892 -0.314 525 1HB GLU 985 HB1 GLU 985 10.498 -10.810 -2.492 526 2HB GLU 985 HB2 GLU 985 11.600 -9.689 -1.703 527 1HG GLU 985 HG1 GLU 985 10.018 -11.802 -0.260 528 2HG GLU 985 HG2 GLU 985 11.673 -12.013 -0.826 529 H MET 986 H MET 986 8.317 -9.299 -3.579 530 HA MET 986 HA MET 986 9.819 -7.172 -4.684 531 1HB MET 986 HB1 MET 986 8.692 -7.467 -6.670 532 2HB MET 986 HB2 MET 986 8.594 -9.060 -5.941 533 1HG MET 986 HG1 MET 986 6.314 -8.677 -5.297 534 2HG MET 986 HG2 MET 986 6.399 -7.003 -5.839 535 1HE MET 986 HE1 MET 986 6.845 -7.532 -9.739 536 2HE MET 986 HE2 MET 986 6.809 -6.343 -8.435 537 3HE MET 986 HE3 MET 986 8.155 -7.474 -8.560 538 H ALA 987 H ALA 987 6.452 -7.282 -3.536 539 HA ALA 987 HA ALA 987 6.123 -4.491 -4.117 540 1HB ALA 987 HB1 ALA 987 4.357 -6.258 -4.470 541 2HB ALA 987 HB2 ALA 987 4.132 -6.230 -2.724 542 3HB ALA 987 HB3 ALA 987 3.852 -4.770 -3.671 543 H GLN 988 H GLN 988 6.451 -6.516 -1.200 544 HA GLN 988 HA GLN 988 5.558 -4.443 0.514 545 1HB GLN 988 HB1 GLN 988 5.573 -6.874 1.117 546 2HB GLN 988 HB2 GLN 988 7.316 -6.769 1.303 547 1HG GLN 988 HG1 GLN 988 5.584 -4.895 2.840 548 2HG GLN 988 HG2 GLN 988 5.713 -6.570 3.363 549 1HE2 GLN 988 2HE2 GLN 988 6.599 -4.126 4.682 550 2HE2 GLN 988 1HE2 GLN 988 8.300 -4.322 4.956 551 H LYS 989 H LYS 989 8.788 -5.458 -0.556 552 HA LYS 989 HA LYS 989 10.126 -3.463 1.003 553 1HB LYS 989 HB1 LYS 989 11.094 -4.862 -1.503 554 2HB LYS 989 HB2 LYS 989 12.089 -3.956 -0.372 555 1HG LYS 989 HG1 LYS 989 10.669 -6.562 0.113 556 2HG LYS 989 HG2 LYS 989 12.408 -6.265 0.074 557 1HD LYS 989 HD1 LYS 989 12.265 -4.924 2.078 558 2HD LYS 989 HD2 LYS 989 10.506 -5.072 2.089 559 1HE LYS 989 HE1 LYS 989 10.838 -7.564 2.268 560 2HE LYS 989 HE2 LYS 989 12.550 -7.235 2.535 561 1HZ LYS 989 HZ1 LYS 989 11.910 -5.864 4.453 562 2HZ LYS 989 HZ2 LYS 989 10.292 -6.304 4.222 563 3HZ LYS 989 HZ3 LYS 989 11.438 -7.482 4.630 564 H LEU 990 H LEU 990 8.464 -3.574 -1.989 565 HA LEU 990 HA LEU 990 9.465 -1.139 -3.079 566 1HB LEU 990 HB1 LEU 990 8.602 -2.543 -4.685 567 2HB LEU 990 HB2 LEU 990 7.297 -3.093 -3.660 568 HG LEU 990 HG LEU 990 6.086 -1.031 -4.066 569 1HD1 LEU 990 1HD1 LEU 990 7.998 0.473 -4.427 570 2HD1 LEU 990 2HD1 LEU 990 8.355 -0.351 -5.946 571 3HD1 LEU 990 3HD1 LEU 990 6.853 0.556 -5.766 572 1HD2 LEU 990 1HD2 LEU 990 7.012 -2.418 -6.571 573 2HD2 LEU 990 2HD2 LEU 990 5.704 -2.935 -5.509 574 3HD2 LEU 990 3HD2 LEU 990 5.556 -1.434 -6.422 575 H LEU 991 H LEU 991 6.708 -2.091 -1.091 576 HA LEU 991 HA LEU 991 5.272 0.322 -1.063 577 1HB LEU 991 HB1 LEU 991 5.569 -1.684 1.175 578 2HB LEU 991 HB2 LEU 991 4.326 -0.454 1.056 579 HG LEU 991 HG LEU 991 4.550 -2.457 -1.140 580 1HD1 LEU 991 1HD1 LEU 991 3.104 -3.984 0.142 581 2HD1 LEU 991 2HD1 LEU 991 4.682 -3.790 0.907 582 3HD1 LEU 991 3HD1 LEU 991 3.275 -2.949 1.560 583 1HD2 LEU 991 1HD2 LEU 991 2.956 -0.457 -1.037 584 2HD2 LEU 991 2HD2 LEU 991 2.233 -2.031 -1.366 585 3HD2 LEU 991 3HD2 LEU 991 2.127 -1.324 0.249 586 H ASN 992 H ASN 992 7.735 -0.947 1.146 587 HA ASN 992 HA ASN 992 7.764 1.164 2.953 588 1HB ASN 992 HB1 ASN 992 8.899 -0.988 3.346 589 2HB ASN 992 HB2 ASN 992 10.070 -0.600 2.091 590 1HD2 ASN 992 2HD2 ASN 992 8.989 0.107 5.322 591 2HD2 ASN 992 1HD2 ASN 992 10.403 0.966 5.821 592 H SER 993 H SER 993 9.384 0.743 -0.130 593 HA SER 993 HA SER 993 11.110 2.963 0.113 594 1HB SER 993 HB1 SER 993 10.107 1.608 -2.399 595 2HB SER 993 HB2 SER 993 11.520 2.657 -2.272 596 HG SER 993 HG SER 993 11.158 0.024 -1.403 597 H ASP 994 H ASP 994 7.763 2.698 -1.110 598 HA ASP 994 HA ASP 994 8.050 5.509 -1.953 599 1HB ASP 994 HB1 ASP 994 6.650 3.266 -3.314 600 2HB ASP 994 HB2 ASP 994 6.035 4.905 -3.513 601 H LEU 995 H LEU 995 5.834 3.265 -0.291 602 HA LEU 995 HA LEU 995 3.890 5.148 0.432 603 1HB LEU 995 HB1 LEU 995 5.038 2.760 1.833 604 2HB LEU 995 HB2 LEU 995 4.067 3.873 2.773 605 HG LEU 995 HG LEU 995 2.825 1.904 1.961 606 1HD1 LEU 995 1HD1 LEU 995 1.883 4.551 0.886 607 2HD1 LEU 995 2HD1 LEU 995 0.873 3.131 1.157 608 3HD1 LEU 995 3HD1 LEU 995 1.646 3.937 2.522 609 1HD2 LEU 995 1HD2 LEU 995 3.928 1.591 -0.187 610 2HD2 LEU 995 2HD2 LEU 995 2.186 1.769 -0.399 611 3HD2 LEU 995 3HD2 LEU 995 3.261 3.119 -0.765 612 H ALA 996 H ALA 996 6.924 4.323 2.029 613 HA ALA 996 HA ALA 996 6.997 6.494 3.803 614 1HB ALA 996 HB1 ALA 996 8.519 4.599 4.031 615 2HB ALA 996 HB2 ALA 996 9.364 5.102 2.566 616 3HB ALA 996 HB3 ALA 996 9.395 6.131 4.000 617 H GLU 997 H GLU 997 8.331 6.242 0.490 618 HA GLU 997 HA GLU 997 9.507 8.704 0.305 619 1HB GLU 997 HB1 GLU 997 9.536 7.062 -1.510 620 2HB GLU 997 HB2 GLU 997 7.828 7.356 -1.810 621 1HG GLU 997 HG1 GLU 997 8.863 8.606 -3.440 622 2HG GLU 997 HG2 GLU 997 8.536 9.790 -2.175 623 H LEU 998 H LEU 998 6.069 7.943 -0.009 624 HA LEU 998 HA LEU 998 5.359 10.555 -0.886 625 1HB LEU 998 HB1 LEU 998 3.927 8.081 -0.185 626 2HB LEU 998 HB2 LEU 998 3.022 9.569 0.029 627 HG LEU 998 HG LEU 998 2.644 8.537 -2.180 628 1HD1 LEU 998 1HD1 LEU 998 4.097 11.179 -2.253 629 2HD1 LEU 998 2HD1 LEU 998 3.017 10.565 -3.503 630 3HD1 LEU 998 3HD1 LEU 998 2.384 10.944 -1.901 631 1HD2 LEU 998 1HD2 LEU 998 4.418 8.540 -3.843 632 2HD2 LEU 998 2HD2 LEU 998 5.561 9.152 -2.647 633 3HD2 LEU 998 3HD2 LEU 998 4.869 7.539 -2.461 634 H ILE 999 H ILE 999 5.503 8.993 2.271 635 HA ILE 999 HA ILE 999 4.133 11.039 3.652 636 HB ILE 999 HB ILE 999 4.944 10.233 5.691 637 1HG1 ILE 999 1HG1 ILE 999 7.231 8.893 4.233 638 2HG1 ILE 999 2HG1 ILE 999 7.358 10.373 5.175 639 1HG2 ILE 999 1HG2 ILE 999 4.940 7.893 3.796 640 2HG2 ILE 999 2HG2 ILE 999 4.718 7.805 5.543 641 3HG2 ILE 999 3HG2 ILE 999 3.527 8.637 4.544 642 1HD1 ILE 999 1HD1 ILE 999 8.160 8.423 6.400 643 2HD1 ILE 999 2HD1 ILE 999 6.770 9.165 7.189 644 3HD1 ILE 999 3HD1 ILE 999 6.567 7.680 6.261 645 H ASN1000 H ASN1000 7.285 10.907 2.287 646 HA ASN1000 HA ASN1000 8.122 13.398 3.601 647 1HB ASN1000 HB1 ASN1000 9.553 11.707 1.531 648 2HB ASN1000 HB2 ASN1000 10.229 13.103 2.361 649 1HD2 ASN1000 2HD2 ASN1000 9.053 9.854 2.747 650 2HD2 ASN1000 1HD2 ASN1000 9.995 9.477 4.150 651 H LYS1001 H LYS1001 6.406 12.406 0.889 652 HA LYS1001 HA LYS1001 7.223 14.627 -0.792 653 1HB LYS1001 HB1 LYS1001 4.979 12.626 -1.112 654 2HB LYS1001 HB2 LYS1001 5.355 13.886 -2.276 655 1HG LYS1001 HG1 LYS1001 7.096 11.561 -1.497 656 2HG LYS1001 HG2 LYS1001 6.275 11.816 -3.036 657 1HD LYS1001 HD1 LYS1001 7.649 13.870 -3.361 658 2HD LYS1001 HD2 LYS1001 8.545 13.449 -1.898 659 1HE LYS1001 HE1 LYS1001 9.104 11.263 -2.962 660 2HE LYS1001 HE2 LYS1001 8.346 11.849 -4.442 661 1HZ LYS1001 HZ1 LYS1001 10.680 12.192 -4.603 662 2HZ LYS1001 HZ2 LYS1001 9.960 13.716 -4.401 663 3HZ LYS1001 HZ3 LYS1001 10.744 12.967 -3.096 664 H MET1002 H MET1002 4.482 13.671 1.203 665 HA MET1002 HA MET1002 3.009 16.080 0.875 666 1HB MET1002 HB1 MET1002 2.948 14.382 3.345 667 2HB MET1002 HB2 MET1002 1.625 15.226 2.554 668 1HG MET1002 HG1 MET1002 3.035 12.819 1.433 669 2HG MET1002 HG2 MET1002 1.535 12.765 2.357 670 1HE MET1002 HE1 MET1002 0.112 11.549 0.582 671 2HE MET1002 HE2 MET1002 0.133 11.946 -1.137 672 3HE MET1002 HE3 MET1002 1.594 11.346 -0.351 673 H LYS1003 H LYS1003 5.234 14.773 3.247 674 HA LYS1003 HA LYS1003 5.507 16.959 4.937 675 1HB LYS1003 HB1 LYS1003 6.408 14.701 5.362 676 2HB LYS1003 HB2 LYS1003 7.583 14.933 4.080 677 1HG LYS1003 HG1 LYS1003 8.724 16.604 5.331 678 2HG LYS1003 HG2 LYS1003 7.453 16.629 6.558 679 1HD LYS1003 HD1 LYS1003 7.963 14.333 7.167 680 2HD LYS1003 HD2 LYS1003 9.179 14.246 5.894 681 1HE LYS1003 HE1 LYS1003 10.523 15.913 7.011 682 2HE LYS1003 HE2 LYS1003 9.273 16.145 8.234 683 1HZ LYS1003 HZ1 LYS1003 9.636 13.973 9.077 684 2HZ LYS1003 HZ2 LYS1003 10.644 13.551 7.778 685 3HZ LYS1003 HZ3 LYS1003 11.164 14.691 8.918 686 H LEU1004 H LEU1004 7.416 16.081 2.053 687 HA LEU1004 HA LEU1004 8.951 18.309 1.714 688 1HB LEU1004 HB1 LEU1004 8.783 16.173 0.337 689 2HB LEU1004 HB2 LEU1004 7.500 16.975 -0.544 690 HG LEU1004 HG LEU1004 9.102 18.757 -1.198 691 1HD1 LEU1004 1HD1 LEU1004 11.502 18.351 -0.880 692 2HD1 LEU1004 2HD1 LEU1004 10.658 18.581 0.651 693 3HD1 LEU1004 3HD1 LEU1004 11.121 16.960 0.135 694 1HD2 LEU1004 1HD2 LEU1004 8.665 16.910 -2.710 695 2HD2 LEU1004 2HD2 LEU1004 10.359 17.392 -2.807 696 3HD2 LEU1004 3HD2 LEU1004 9.905 15.940 -1.915 697 H ALA1005 H ALA1005 5.670 17.898 0.333 698 HA ALA1005 HA ALA1005 5.548 20.438 -0.847 699 1HB ALA1005 HB1 ALA1005 4.007 18.597 -1.389 700 2HB ALA1005 HB2 ALA1005 3.242 18.793 0.188 701 3HB ALA1005 HB3 ALA1005 3.154 20.092 -1.001 702 H GLN1006 H GLN1006 4.557 19.310 2.338 703 HA GLN1006 HA GLN1006 3.620 21.877 3.203 704 1HB GLN1006 HB1 GLN1006 2.941 20.772 5.099 705 2HB GLN1006 HB2 GLN1006 3.085 19.400 4.007 706 1HG GLN1006 HG1 GLN1006 4.175 18.543 5.779 707 2HG GLN1006 HG2 GLN1006 5.538 19.345 5.000 708 1HE2 GLN1006 2HE2 GLN1006 6.657 19.559 6.928 709 2HE2 GLN1006 1HE2 GLN1006 6.192 20.681 8.157 710 H GLN1007 H GLN1007 6.633 20.344 2.907 711 HA GLN1007 HA GLN1007 8.093 21.794 4.890 712 1HB GLN1007 HB1 GLN1007 8.615 19.530 3.623 713 2HB GLN1007 HB2 GLN1007 9.350 20.603 2.446 714 1HG GLN1007 HG1 GLN1007 11.026 19.780 3.920 715 2HG GLN1007 HG2 GLN1007 10.799 21.504 4.240 716 1HE2 GLN1007 2HE2 GLN1007 8.544 19.050 5.267 717 2HE2 GLN1007 1HE2 GLN1007 8.879 19.166 6.967 718 H TYR1008 H TYR1008 7.546 22.030 1.445 719 HA TYR1008 HA TYR1008 9.096 24.373 1.003 720 1HB TYR1008 HB1 TYR1008 8.250 22.625 -0.698 721 2HB TYR1008 HB2 TYR1008 6.718 23.485 -0.629 722 HD1 TYR1008 HD1 TYR1008 7.463 23.413 -3.185 723 HD2 TYR1008 HD2 TYR1008 9.216 25.883 -0.197 724 HE1 TYR1008 HE1 TYR1008 8.283 24.940 -4.934 725 HE2 TYR1008 HE2 TYR1008 10.034 27.416 -1.932 726 HH TYR1008 HH TYR1008 10.555 27.442 -4.257 727 H VAL1009 H VAL1009 5.627 23.757 1.223 728 HA VAL1009 HA VAL1009 3.847 25.171 1.345 729 HB VAL1009 HB VAL1009 4.215 24.424 3.609 730 1HG1 VAL1009 1HG1 VAL1009 5.365 25.816 5.278 731 2HG1 VAL1009 2HG1 VAL1009 6.457 25.214 4.029 732 3HG1 VAL1009 3HG1 VAL1009 5.906 26.889 3.987 733 1HG2 VAL1009 1HG2 VAL1009 3.351 27.307 3.487 734 2HG2 VAL1009 2HG2 VAL1009 2.338 25.890 3.213 735 3HG2 VAL1009 3HG2 VAL1009 3.015 26.194 4.813 736 H MET1010 H MET1010 4.357 26.510 -0.436 737 HA MET1010 HA MET1010 4.653 29.303 0.400 738 1HB MET1010 HB1 MET1010 6.780 28.390 -0.678 739 2HB MET1010 HB2 MET1010 5.847 28.224 -2.158 740 1HG MET1010 HG1 MET1010 5.443 30.609 -2.205 741 2HG MET1010 HG2 MET1010 6.296 30.803 -0.674 742 1HE MET1010 HE1 MET1010 7.050 32.599 -3.059 743 2HE MET1010 HE2 MET1010 7.993 32.606 -1.569 744 3HE MET1010 HE3 MET1010 8.808 32.474 -3.127 745 H THR1011 H THR1011 3.018 30.519 -0.356 746 HA THR1011 HA THR1011 0.660 29.379 -0.935 747 HB THR1011 HB THR1011 0.813 31.679 -0.253 748 HG1 THR1011 HG1 THR1011 -0.552 31.350 -2.743 749 1HG2 THR1011 1HG2 THR1011 1.349 33.478 -1.848 750 2HG2 THR1011 2HG2 THR1011 2.728 32.420 -1.550 751 3HG2 THR1011 3HG2 THR1011 1.803 32.266 -3.043 752 H SER1012 H SER1012 2.782 30.639 -3.557 753 HA SER1012 HA SER1012 0.916 29.424 -5.454 754 1HB SER1012 HB1 SER1012 1.707 31.826 -5.710 755 2HB SER1012 HB2 SER1012 3.280 31.161 -6.149 756 HG SER1012 HG SER1012 2.465 31.041 -8.086 757 H LEU1013 H LEU1013 4.211 29.162 -4.315 758 HA LEU1013 HA LEU1013 5.020 27.532 -6.563 759 1HB LEU1013 HB1 LEU1013 6.485 28.562 -4.148 760 2HB LEU1013 HB2 LEU1013 7.217 27.434 -5.269 761 HG LEU1013 HG LEU1013 7.986 29.596 -5.862 762 1HD1 LEU1013 1HD1 LEU1013 7.144 29.869 -8.133 763 2HD1 LEU1013 2HD1 LEU1013 7.423 28.172 -7.745 764 3HD1 LEU1013 3HD1 LEU1013 5.781 28.816 -7.757 765 1HD2 LEU1013 1HD2 LEU1013 6.351 30.963 -4.725 766 2HD2 LEU1013 2HD2 LEU1013 6.465 31.453 -6.417 767 3HD2 LEU1013 3HD2 LEU1013 5.102 30.474 -5.871 768 H GLN1014 H GLN1014 3.550 26.920 -3.612 769 HA GLN1014 HA GLN1014 4.802 24.513 -2.839 770 1HB GLN1014 HB1 GLN1014 3.221 25.880 -1.440 771 2HB GLN1014 HB2 GLN1014 1.903 25.280 -2.431 772 1HG GLN1014 HG1 GLN1014 3.634 23.234 -1.204 773 2HG GLN1014 HG2 GLN1014 2.643 24.186 -0.099 774 1HE2 GLN1014 2HE2 GLN1014 2.658 21.842 -2.639 775 2HE2 GLN1014 1HE2 GLN1014 0.985 21.420 -2.537 776 H GLN1015 H GLN1015 2.451 25.282 -5.262 777 HA GLN1015 HA GLN1015 1.316 22.742 -5.622 778 1HB GLN1015 HB1 GLN1015 1.422 25.240 -7.211 779 2HB GLN1015 HB2 GLN1015 0.982 23.766 -8.066 780 1HG GLN1015 HG1 GLN1015 -1.016 24.851 -7.339 781 2HG GLN1015 HG2 GLN1015 -0.798 23.387 -6.385 782 1HE2 GLN1015 2HE2 GLN1015 0.904 26.435 -5.919 783 2HE2 GLN1015 1HE2 GLN1015 0.216 26.787 -4.371 784 H GLU1016 H GLU1016 4.164 24.217 -7.164 785 HA GLU1016 HA GLU1016 4.992 22.217 -8.787 786 1HB GLU1016 HB1 GLU1016 6.353 24.180 -8.456 787 2HB GLU1016 HB2 GLU1016 6.684 23.726 -6.789 788 1HG GLU1016 HG1 GLU1016 8.032 21.903 -7.458 789 2HG GLU1016 HG2 GLU1016 7.501 22.037 -9.130 790 H TYR1017 H TYR1017 5.394 22.191 -5.244 791 HA TYR1017 HA TYR1017 6.486 19.533 -5.253 792 1HB TYR1017 HB1 TYR1017 5.704 21.489 -3.118 793 2HB TYR1017 HB2 TYR1017 5.930 19.799 -2.690 794 HD1 TYR1017 HD1 TYR1017 7.976 21.071 -5.398 795 HD2 TYR1017 HD2 TYR1017 7.758 20.569 -1.170 796 HE1 TYR1017 HE1 TYR1017 10.406 21.411 -5.236 797 HE2 TYR1017 HE2 TYR1017 10.185 20.906 -1.008 798 HH TYR1017 HH TYR1017 12.061 22.113 -3.556 799 H LYS1018 H LYS1018 3.368 20.930 -5.197 800 HA LYS1018 HA LYS1018 1.941 18.713 -4.097 801 1HB LYS1018 HB1 LYS1018 1.046 21.003 -4.093 802 2HB LYS1018 HB2 LYS1018 1.011 20.998 -5.848 803 1HG LYS1018 HG1 LYS1018 -0.782 19.525 -5.932 804 2HG LYS1018 HG2 LYS1018 -0.532 18.978 -4.272 805 1HD LYS1018 HD1 LYS1018 -1.166 21.238 -3.476 806 2HD LYS1018 HD2 LYS1018 -1.510 21.695 -5.145 807 1HE LYS1018 HE1 LYS1018 -3.260 20.068 -5.297 808 2HE LYS1018 HE2 LYS1018 -2.838 19.397 -3.723 809 1HZ LYS1018 HZ1 LYS1018 -3.811 22.174 -4.147 810 2HZ LYS1018 HZ2 LYS1018 -4.802 20.874 -3.696 811 3HZ LYS1018 HZ3 LYS1018 -3.565 21.397 -2.660 812 H LYS1019 H LYS1019 2.692 19.838 -7.359 813 HA LYS1019 HA LYS1019 1.366 17.692 -8.695 814 1HB LYS1019 HB1 LYS1019 1.916 19.950 -9.686 815 2HB LYS1019 HB2 LYS1019 3.593 19.428 -9.770 816 1HG LYS1019 HG1 LYS1019 2.480 19.174 -11.913 817 2HG LYS1019 HG2 LYS1019 2.962 17.606 -11.260 818 1HD LYS1019 HD1 LYS1019 0.699 17.181 -10.516 819 2HD LYS1019 HD2 LYS1019 0.196 18.793 -11.030 820 1HE LYS1019 HE1 LYS1019 1.266 16.653 -12.863 821 2HE LYS1019 HE2 LYS1019 -0.443 17.004 -12.619 822 1HZ LYS1019 HZ1 LYS1019 0.559 18.060 -14.613 823 2HZ LYS1019 HZ2 LYS1019 -0.168 19.160 -13.546 824 3HZ LYS1019 HZ3 LYS1019 1.519 19.013 -13.588 825 H GLN1020 H GLN1020 4.269 18.014 -7.041 826 HA GLN1020 HA GLN1020 5.706 15.875 -8.383 827 1HB GLN1020 HB1 GLN1020 6.239 17.497 -5.904 828 2HB GLN1020 HB2 GLN1020 7.160 16.038 -6.237 829 1HG GLN1020 HG1 GLN1020 7.905 16.979 -8.356 830 2HG GLN1020 HG2 GLN1020 6.964 18.437 -8.041 831 1HE2 GLN1020 2HE2 GLN1020 8.823 19.698 -8.166 832 2HE2 GLN1020 1HE2 GLN1020 9.979 19.737 -6.876 833 H MET1021 H MET1021 3.876 16.415 -5.434 834 HA MET1021 HA MET1021 3.954 13.773 -4.466 835 1HB MET1021 HB1 MET1021 3.303 15.388 -2.905 836 2HB MET1021 HB2 MET1021 2.149 16.126 -4.005 837 1HG MET1021 HG1 MET1021 1.706 13.336 -3.050 838 2HG MET1021 HG2 MET1021 1.326 14.698 -1.997 839 1HE MET1021 HE1 MET1021 -0.789 12.471 -3.019 840 2HE MET1021 HE2 MET1021 -1.206 13.777 -1.911 841 3HE MET1021 HE3 MET1021 -2.184 13.497 -3.352 842 H LEU1022 H LEU1022 1.785 15.442 -6.689 843 HA LEU1022 HA LEU1022 -0.261 13.575 -6.867 844 1HB LEU1022 HB1 LEU1022 -0.151 15.885 -7.892 845 2HB LEU1022 HB2 LEU1022 0.816 15.194 -9.177 846 HG LEU1022 HG LEU1022 -1.930 14.121 -8.584 847 1HD1 LEU1022 1HD1 LEU1022 -2.199 16.513 -8.873 848 2HD1 LEU1022 2HD1 LEU1022 -1.230 16.464 -10.344 849 3HD1 LEU1022 3HD1 LEU1022 -2.797 15.657 -10.293 850 1HD2 LEU1022 1HD2 LEU1022 -0.278 14.244 -11.105 851 2HD2 LEU1022 2HD2 LEU1022 -0.478 12.824 -10.080 852 3HD2 LEU1022 3HD2 LEU1022 -1.865 13.496 -10.938 853 H THR1023 H THR1023 2.680 13.800 -8.852 854 HA THR1023 HA THR1023 2.210 11.428 -10.320 855 HB THR1023 HB THR1023 4.902 12.688 -9.760 856 HG1 THR1023 HG1 THR1023 4.286 14.334 -10.947 857 1HG2 THR1023 1HG2 THR1023 5.466 11.825 -11.978 858 2HG2 THR1023 2HG2 THR1023 4.950 10.518 -10.910 859 3HG2 THR1023 3HG2 THR1023 3.846 11.148 -12.133 860 H ALA1024 H ALA1024 3.753 12.115 -7.270 861 HA ALA1024 HA ALA1024 5.142 9.615 -7.074 862 1HB ALA1024 HB1 ALA1024 5.977 11.631 -5.970 863 2HB ALA1024 HB2 ALA1024 4.548 11.657 -4.937 864 3HB ALA1024 HB3 ALA1024 5.700 10.327 -4.815 865 H ALA1025 H ALA1025 2.095 10.915 -5.875 866 HA ALA1025 HA ALA1025 1.504 8.798 -4.090 867 1HB ALA1025 HB1 ALA1025 -0.770 9.665 -4.095 868 2HB ALA1025 HB2 ALA1025 0.393 10.985 -3.984 869 3HB ALA1025 HB3 ALA1025 -0.412 10.646 -5.515 870 H HIS1026 H HIS1026 0.968 9.266 -7.534 871 HA HIS1026 HA HIS1026 -0.688 6.997 -7.890 872 1HB HIS1026 HB1 HIS1026 -0.545 8.695 -9.634 873 2HB HIS1026 HB2 HIS1026 1.173 8.378 -9.843 874 HD1 HIS1026 HD1 HIS1026 1.346 7.391 -12.127 875 HD2 HIS1026 HD2 HIS1026 -1.777 5.723 -9.931 876 HE1 HIS1026 HE1 HIS1026 0.428 5.525 -13.547 877 HE2 HIS1026 HE2 HIS1026 -1.495 4.567 -12.234 878 H ALA1027 H ALA1027 2.767 7.467 -7.680 879 HA ALA1027 HA ALA1027 3.517 4.866 -8.516 880 1HB ALA1027 HB1 ALA1027 5.674 5.354 -7.519 881 2HB ALA1027 HB2 ALA1027 5.089 6.748 -8.431 882 3HB ALA1027 HB3 ALA1027 4.988 6.741 -6.670 883 H LEU1028 H LEU1028 3.012 6.261 -5.258 884 HA LEU1028 HA LEU1028 3.593 3.805 -3.944 885 1HB LEU1028 HB1 LEU1028 3.765 5.170 -2.214 886 2HB LEU1028 HB2 LEU1028 3.103 6.494 -3.124 887 HG LEU1028 HG LEU1028 1.418 4.516 -1.565 888 1HD1 LEU1028 1HD1 LEU1028 1.271 6.263 0.139 889 2HD1 LEU1028 2HD1 LEU1028 2.932 5.706 -0.075 890 3HD1 LEU1028 3HD1 LEU1028 2.421 7.245 -0.768 891 1HD2 LEU1028 1HD2 LEU1028 -0.288 6.290 -1.702 892 2HD2 LEU1028 2HD2 LEU1028 0.805 7.257 -2.695 893 3HD2 LEU1028 3HD2 LEU1028 0.185 5.723 -3.305 894 H ALA1029 H ALA1029 0.632 5.304 -5.085 895 HA ALA1029 HA ALA1029 -1.246 3.465 -4.231 896 1HB ALA1029 HB1 ALA1029 -1.111 4.738 -6.964 897 2HB ALA1029 HB2 ALA1029 -2.539 4.006 -6.232 898 3HB ALA1029 HB3 ALA1029 -1.829 5.456 -5.522 899 H VAL1030 H VAL1030 0.988 3.185 -6.980 900 HA VAL1030 HA VAL1030 0.054 0.664 -7.860 901 HB VAL1030 HB VAL1030 2.777 1.934 -8.238 902 1HG1 VAL1030 1HG1 VAL1030 1.505 -0.374 -9.708 903 2HG1 VAL1030 2HG1 VAL1030 3.044 0.387 -10.111 904 3HG1 VAL1030 3HG1 VAL1030 2.863 -0.486 -8.588 905 1HG2 VAL1030 1HG2 VAL1030 0.374 1.851 -10.059 906 2HG2 VAL1030 2HG2 VAL1030 0.941 3.259 -9.161 907 3HG2 VAL1030 3HG2 VAL1030 1.940 2.567 -10.439 908 H ASP1031 H ASP1031 2.357 1.644 -5.427 909 HA ASP1031 HA ASP1031 3.558 -0.831 -4.890 910 1HB ASP1031 HB1 ASP1031 2.825 1.380 -2.962 911 2HB ASP1031 HB2 ASP1031 3.843 0.007 -2.557 912 H ALA1032 H ALA1032 0.620 0.628 -3.513 913 HA ALA1032 HA ALA1032 -0.157 -1.585 -1.955 914 1HB ALA1032 HB1 ALA1032 -1.084 0.669 -1.674 915 2HB ALA1032 HB2 ALA1032 -1.912 0.515 -3.224 916 3HB ALA1032 HB3 ALA1032 -2.347 -0.544 -1.882 917 H LYS1033 H LYS1033 -0.994 -0.627 -5.287 918 HA LYS1033 HA LYS1033 -2.836 -2.703 -5.774 919 1HB LYS1033 HB1 LYS1033 -1.129 -1.073 -7.658 920 2HB LYS1033 HB2 LYS1033 -2.379 -2.186 -8.195 921 1HG LYS1033 HG1 LYS1033 -2.913 0.125 -6.347 922 2HG LYS1033 HG2 LYS1033 -3.038 0.233 -8.102 923 1HD LYS1033 HD1 LYS1033 -4.578 -1.724 -6.399 924 2HD LYS1033 HD2 LYS1033 -5.213 -0.177 -6.965 925 1HE LYS1033 HE1 LYS1033 -4.816 -0.915 -9.293 926 2HE LYS1033 HE2 LYS1033 -4.288 -2.482 -8.679 927 1HZ LYS1033 HZ1 LYS1033 -6.664 -2.320 -9.444 928 2HZ LYS1033 HZ2 LYS1033 -6.444 -2.961 -7.893 929 3HZ LYS1033 HZ3 LYS1033 -6.969 -1.358 -8.086 930 H ASN1034 H ASN1034 0.658 -2.518 -6.136 931 HA ASN1034 HA ASN1034 0.918 -4.898 -7.656 932 1HB ASN1034 HB1 ASN1034 2.629 -2.949 -7.243 933 2HB ASN1034 HB2 ASN1034 3.111 -3.925 -5.858 934 1HD2 ASN1034 2HD2 ASN1034 3.939 -6.029 -6.247 935 2HD2 ASN1034 1HD2 ASN1034 4.647 -6.437 -7.765 936 H LEU1035 H LEU1035 0.934 -4.207 -4.186 937 HA LEU1035 HA LEU1035 1.768 -6.913 -3.508 938 1HB LEU1035 HB1 LEU1035 2.360 -4.922 -2.088 939 2HB LEU1035 HB2 LEU1035 0.660 -4.769 -1.668 940 HG LEU1035 HG LEU1035 0.914 -7.248 -0.873 941 1HD1 LEU1035 1HD1 LEU1035 3.153 -7.581 -1.766 942 2HD1 LEU1035 2HD1 LEU1035 3.764 -6.288 -0.733 943 3HD1 LEU1035 3HD1 LEU1035 3.127 -7.768 -0.014 944 1HD2 LEU1035 1HD2 LEU1035 0.396 -5.393 0.590 945 2HD2 LEU1035 2HD2 LEU1035 1.572 -6.472 1.344 946 3HD2 LEU1035 3HD2 LEU1035 2.099 -4.938 0.646 947 H LEU1036 H LEU1036 -1.281 -5.273 -4.050 948 HA LEU1036 HA LEU1036 -2.844 -7.113 -2.552 949 1HB LEU1036 HB1 LEU1036 -4.792 -6.279 -3.684 950 2HB LEU1036 HB2 LEU1036 -3.772 -4.939 -3.220 951 HG LEU1036 HG LEU1036 -2.964 -4.996 -5.681 952 1HD1 LEU1036 1HD1 LEU1036 -3.998 -7.128 -6.294 953 2HD1 LEU1036 2HD1 LEU1036 -5.591 -6.455 -5.945 954 3HD1 LEU1036 3HD1 LEU1036 -4.628 -5.800 -7.269 955 1HD2 LEU1036 1HD2 LEU1036 -4.790 -3.524 -6.308 956 2HD2 LEU1036 2HD2 LEU1036 -5.760 -4.135 -4.969 957 3HD2 LEU1036 3HD2 LEU1036 -4.286 -3.223 -4.645 958 H ASP1037 H ASP1037 -1.572 -7.047 -5.755 959 HA ASP1037 HA ASP1037 -2.683 -9.562 -6.566 960 1HB ASP1037 HB1 ASP1037 -1.907 -7.935 -8.239 961 2HB ASP1037 HB2 ASP1037 -0.266 -8.062 -7.616 962 H VAL1038 H VAL1038 0.143 -8.460 -4.910 963 HA VAL1038 HA VAL1038 1.714 -10.795 -4.935 964 HB VAL1038 HB VAL1038 1.555 -8.480 -3.014 965 1HG1 VAL1038 1HG1 VAL1038 3.621 -9.284 -1.980 966 2HG1 VAL1038 2HG1 VAL1038 2.284 -10.407 -1.729 967 3HG1 VAL1038 3HG1 VAL1038 3.520 -10.762 -2.937 968 1HG2 VAL1038 1HG2 VAL1038 2.459 -7.954 -5.190 969 2HG2 VAL1038 2HG2 VAL1038 3.745 -7.919 -3.983 970 3HG2 VAL1038 3HG2 VAL1038 3.595 -9.297 -5.072 971 H ILE1039 H ILE1039 -0.148 -9.507 -2.246 972 HA ILE1039 HA ILE1039 0.202 -11.921 -0.749 973 HB ILE1039 HB ILE1039 -1.000 -10.717 1.066 974 1HG1 ILE1039 1HG1 ILE1039 -1.073 -8.535 -1.019 975 2HG1 ILE1039 2HG1 ILE1039 -2.436 -9.243 -0.159 976 1HG2 ILE1039 1HG2 ILE1039 1.415 -10.677 0.921 977 2HG2 ILE1039 2HG2 ILE1039 1.350 -9.319 -0.203 978 3HG2 ILE1039 3HG2 ILE1039 0.819 -9.109 1.465 979 1HD1 ILE1039 1HD1 ILE1039 -1.604 -8.261 1.923 980 2HD1 ILE1039 2HD1 ILE1039 -0.277 -7.521 1.028 981 3HD1 ILE1039 3HD1 ILE1039 -1.942 -7.044 0.693 982 H ASP1040 H ASP1040 -2.636 -10.318 -2.240 983 HA ASP1040 HA ASP1040 -4.508 -12.242 -1.515 984 1HB ASP1040 HB1 ASP1040 -5.226 -10.402 -2.915 985 2HB ASP1040 HB2 ASP1040 -4.174 -10.931 -4.224 986 H GLN1041 H GLN1041 -2.072 -12.335 -4.062 987 HA GLN1041 HA GLN1041 -2.631 -15.020 -4.837 988 1HB GLN1041 HB1 GLN1041 -0.554 -13.050 -5.473 989 2HB GLN1041 HB2 GLN1041 0.006 -14.717 -5.447 990 1HG GLN1041 HG1 GLN1041 -0.759 -13.831 -7.676 991 2HG GLN1041 HG2 GLN1041 -1.467 -15.357 -7.155 992 1HE2 GLN1041 2HE2 GLN1041 -2.037 -11.957 -7.658 993 2HE2 GLN1041 1HE2 GLN1041 -3.765 -12.052 -7.648 994 H ALA1042 H ALA1042 -0.617 -13.528 -2.355 995 HA ALA1042 HA ALA1042 0.964 -15.610 -1.602 996 1HB ALA1042 HB1 ALA1042 1.039 -13.425 -0.538 997 2HB ALA1042 HB2 ALA1042 -0.498 -13.755 0.258 998 3HB ALA1042 HB3 ALA1042 0.926 -14.715 0.658 999 H ARG1043 H ARG1043 -2.304 -14.977 -0.321 1000 HA ARG1043 HA ARG1043 -2.614 -17.336 1.090 1001 1HB ARG1043 HB1 ARG1043 -4.268 -15.219 0.432 1002 2HB ARG1043 HB2 ARG1043 -5.075 -16.604 -0.291 1003 1HG ARG1043 HG1 ARG1043 -5.900 -16.221 1.947 1004 2HG ARG1043 HG2 ARG1043 -5.031 -17.755 1.872 1005 1HD ARG1043 HD1 ARG1043 -3.062 -16.704 2.855 1006 2HD ARG1043 HD2 ARG1043 -3.894 -15.148 2.875 1007 HE ARG1043 HE ARG1043 -5.541 -16.783 4.307 1008 1HH1 ARG1043 2HH1 ARG1043 -2.110 -16.041 4.583 1009 2HH1 ARG1043 1HH1 ARG1043 -2.092 -16.181 6.313 1010 1HH2 ARG1043 2HH2 ARG1043 -5.513 -16.962 6.562 1011 2HH2 ARG1043 1HH2 ARG1043 -4.044 -16.682 7.449 1012 H LEU1044 H LEU1044 -3.083 -16.830 -2.401 1013 HA LEU1044 HA LEU1044 -3.799 -19.584 -2.869 1014 1HB LEU1044 HB1 LEU1044 -4.591 -18.148 -4.494 1015 2HB LEU1044 HB2 LEU1044 -3.085 -17.292 -4.623 1016 HG LEU1044 HG LEU1044 -2.136 -19.404 -5.689 1017 1HD1 LEU1044 1HD1 LEU1044 -5.064 -20.078 -5.926 1018 2HD1 LEU1044 2HD1 LEU1044 -3.722 -20.947 -6.672 1019 3HD1 LEU1044 3HD1 LEU1044 -3.891 -20.928 -4.918 1020 1HD2 LEU1044 1HD2 LEU1044 -2.674 -17.419 -6.982 1021 2HD2 LEU1044 2HD2 LEU1044 -3.097 -18.877 -7.879 1022 3HD2 LEU1044 3HD2 LEU1044 -4.358 -17.928 -7.092 1023 H LYS1045 H LYS1045 -0.796 -17.819 -2.677 1024 HA LYS1045 HA LYS1045 0.944 -19.751 -3.768 1025 1HB LYS1045 HB1 LYS1045 1.420 -17.829 -1.470 1026 2HB LYS1045 HB2 LYS1045 2.674 -18.738 -2.291 1027 1HG LYS1045 HG1 LYS1045 0.953 -16.577 -3.452 1028 2HG LYS1045 HG2 LYS1045 2.674 -16.496 -3.071 1029 1HD LYS1045 HD1 LYS1045 3.261 -17.875 -4.854 1030 2HD LYS1045 HD2 LYS1045 1.641 -18.562 -4.982 1031 1HE LYS1045 HE1 LYS1045 2.034 -17.095 -6.855 1032 2HE LYS1045 HE2 LYS1045 0.817 -16.381 -5.799 1033 1HZ LYS1045 HZ1 LYS1045 2.338 -14.695 -6.481 1034 2HZ LYS1045 HZ2 LYS1045 2.605 -14.999 -4.839 1035 3HZ LYS1045 HZ3 LYS1045 3.679 -15.613 -5.994 1036 H MET1046 H MET1046 -0.929 -19.565 -0.945 1037 HA MET1046 HA MET1046 0.495 -21.584 0.536 1038 1HB MET1046 HB1 MET1046 -1.002 -19.837 1.544 1039 2HB MET1046 HB2 MET1046 -2.368 -20.695 0.855 1040 1HG MET1046 HG1 MET1046 -0.422 -21.984 2.736 1041 2HG MET1046 HG2 MET1046 -1.851 -21.116 3.296 1042 1HE MET1046 HE1 MET1046 -4.356 -21.833 2.568 1043 2HE MET1046 HE2 MET1046 -3.881 -21.906 0.871 1044 3HE MET1046 HE3 MET1046 -4.711 -23.273 1.612 1045 H ILE1047 H ILE1047 -2.477 -21.520 -1.452 1046 HA ILE1047 HA ILE1047 -2.872 -24.283 -1.541 1047 HB ILE1047 HB ILE1047 -3.500 -22.162 -3.579 1048 1HG1 ILE1047 1HG1 ILE1047 -5.853 -23.123 -2.655 1049 2HG1 ILE1047 2HG1 ILE1047 -4.811 -23.401 -1.261 1050 1HG2 ILE1047 1HG2 ILE1047 -4.335 -25.063 -3.611 1051 2HG2 ILE1047 2HG2 ILE1047 -4.943 -23.806 -4.689 1052 3HG2 ILE1047 3HG2 ILE1047 -3.246 -24.283 -4.759 1053 1HD1 ILE1047 1HD1 ILE1047 -5.349 -20.779 -2.600 1054 2HD1 ILE1047 2HD1 ILE1047 -5.881 -21.313 -1.003 1055 3HD1 ILE1047 3HD1 ILE1047 -4.178 -21.037 -1.310 1056 H SER1048 H SER1048 -0.880 -22.131 -3.440 1057 HA SER1048 HA SER1048 0.110 -24.036 -5.288 1058 1HB SER1048 HB1 SER1048 1.269 -21.378 -4.410 1059 2HB SER1048 HB2 SER1048 1.705 -22.258 -5.879 1060 HG SER1048 HG SER1048 -0.881 -21.252 -5.237 1061 H GLN1049 H GLN1049 0.786 -23.475 -2.011 1062 HA GLN1049 HA GLN1049 3.482 -24.394 -1.958 1063 1HB GLN1049 HB1 GLN1049 2.241 -23.055 -0.156 1064 2HB GLN1049 HB2 GLN1049 1.487 -24.570 0.302 1065 1HG GLN1049 HG1 GLN1049 4.459 -24.109 0.288 1066 2HG GLN1049 HG2 GLN1049 3.433 -23.878 1.699 1067 1HE2 GLN1049 2HE2 GLN1049 5.020 -26.135 -0.353 1068 2HE2 GLN1049 1HE2 GLN1049 4.664 -27.561 0.571 1069 H SER1050 H SER1050 0.547 -25.968 -0.666 1070 HA SER1050 HA SER1050 0.830 -28.351 -2.134 1071 1HB SER1050 HB1 SER1050 2.910 -28.431 -0.633 1072 2HB SER1050 HB2 SER1050 1.798 -28.681 0.711 1073 HG SER1050 HG SER1050 1.209 -30.616 -0.110 1074 H ARG1051 H ARG1051 -1.202 -26.495 -1.078 1075 HA ARG1051 HA ARG1051 -2.954 -28.528 0.046 1076 1HB ARG1051 HB1 ARG1051 -2.078 -27.444 2.040 1077 2HB ARG1051 HB2 ARG1051 -2.514 -25.863 1.402 1078 1HG ARG1051 HG1 ARG1051 -4.861 -26.432 1.501 1079 2HG ARG1051 HG2 ARG1051 -4.467 -28.061 2.044 1080 1HD ARG1051 HD1 ARG1051 -3.524 -27.182 4.095 1081 2HD ARG1051 HD2 ARG1051 -3.802 -25.530 3.540 1082 HE ARG1051 HE ARG1051 -6.274 -26.658 3.432 1083 1HH1 ARG1051 2HH1 ARG1051 -3.860 -26.487 5.985 1084 2HH1 ARG1051 1HH1 ARG1051 -5.050 -26.388 7.257 1085 1HH2 ARG1051 2HH2 ARG1051 -7.806 -26.542 5.088 1086 2HH2 ARG1051 1HH2 ARG1051 -7.289 -26.416 6.743 1087 HA PRO1052 HA PRO1052 -5.278 -26.244 -3.132 1088 1HB PRO1052 HB1 PRO1052 -6.864 -28.720 -3.102 1089 2HB PRO1052 HB2 PRO1052 -6.049 -27.932 -4.456 1090 1HG PRO1052 HG1 PRO1052 -5.148 -30.239 -3.418 1091 2HG PRO1052 HG2 PRO1052 -4.044 -28.999 -4.044 1092 1HD PRO1052 HD1 PRO1052 -4.788 -29.619 -1.206 1093 2HD PRO1052 HD2 PRO1052 -3.194 -29.237 -1.894 1094 H HIS1053 H HIS1053 -6.256 -27.991 -0.279 1095 HA HIS1053 HA HIS1053 -8.132 -25.988 0.479 1096 1HB HIS1053 HB1 HIS1053 -9.546 -27.245 -1.110 1097 2HB HIS1053 HB2 HIS1053 -9.220 -28.730 -0.222 1098 HD1 HIS1053 HD1 HIS1053 -11.222 -29.352 1.072 1099 HD2 HIS1053 HD2 HIS1053 -10.632 -25.233 1.023 1100 HE1 HIS1053 HE1 HIS1053 -13.043 -28.387 2.512 1101 HE2 HIS1053 HE2 HIS1053 -12.826 -25.894 2.231 Start of MODEL 8 1 1H ARG 920 H ARG 920 -7.474 -19.404 -3.049 2 HA ARG 920 HA ARG 920 -8.302 -18.802 -0.426 3 1HB ARG 920 HB1 ARG 920 -6.622 -17.217 -0.313 4 2HB ARG 920 HB2 ARG 920 -5.987 -18.375 -1.468 5 1HG ARG 920 HG1 ARG 920 -7.367 -15.810 -2.228 6 2HG ARG 920 HG2 ARG 920 -5.621 -15.991 -2.069 7 1HD ARG 920 HD1 ARG 920 -5.664 -17.734 -3.789 8 2HD ARG 920 HD2 ARG 920 -7.402 -17.498 -3.969 9 HE ARG 920 HE ARG 920 -6.131 -15.011 -4.310 10 1HH1 ARG 920 2HH1 ARG 920 -6.427 -18.092 -5.972 11 2HH1 ARG 920 1HH1 ARG 920 -6.144 -17.420 -7.547 12 1HH2 ARG 920 2HH2 ARG 920 -5.796 -14.117 -6.361 13 2HH2 ARG 920 1HH2 ARG 920 -5.784 -15.150 -7.768 14 H SER 921 H SER 921 -9.492 -17.134 0.394 15 HA SER 921 HA SER 921 -11.368 -15.945 -1.472 16 1HB SER 921 HB1 SER 921 -12.490 -15.235 0.693 17 2HB SER 921 HB2 SER 921 -12.350 -16.975 0.432 18 HG SER 921 HG SER 921 -11.401 -15.517 2.462 19 H ASN 922 H ASN 922 -8.580 -15.080 -1.307 20 HA ASN 922 HA ASN 922 -7.195 -13.290 -0.976 21 1HB ASN 922 HB1 ASN 922 -9.204 -11.248 -1.450 22 2HB ASN 922 HB2 ASN 922 -7.745 -11.612 -2.357 23 1HD2 ASN 922 2HD2 ASN 922 -7.792 -13.293 -3.888 24 2HD2 ASN 922 1HD2 ASN 922 -9.271 -13.670 -4.725 25 H ASP 923 H ASP 923 -7.758 -14.072 1.284 26 HA ASP 923 HA ASP 923 -9.288 -12.837 3.153 27 1HB ASP 923 HB1 ASP 923 -7.693 -14.877 3.299 28 2HB ASP 923 HB2 ASP 923 -6.482 -13.700 3.795 29 H LYS 924 H LYS 924 -7.908 -11.773 5.149 30 HA LYS 924 HA LYS 924 -7.908 -9.088 4.835 31 1HB LYS 924 HB1 LYS 924 -7.209 -10.797 6.858 32 2HB LYS 924 HB2 LYS 924 -5.689 -9.975 6.550 33 1HG LYS 924 HG1 LYS 924 -8.311 -8.662 7.250 34 2HG LYS 924 HG2 LYS 924 -6.926 -8.871 8.320 35 1HD LYS 924 HD1 LYS 924 -5.596 -7.521 6.656 36 2HD LYS 924 HD2 LYS 924 -7.124 -7.156 5.856 37 1HE LYS 924 HE1 LYS 924 -6.468 -6.537 8.731 38 2HE LYS 924 HE2 LYS 924 -6.400 -5.380 7.403 39 1HZ LYS 924 HZ1 LYS 924 -8.461 -5.065 8.470 40 2HZ LYS 924 HZ2 LYS 924 -8.824 -5.904 7.041 41 3HZ LYS 924 HZ3 LYS 924 -8.795 -6.727 8.523 42 H VAL 925 H VAL 925 -5.426 -11.226 3.676 43 HA VAL 925 HA VAL 925 -3.318 -9.491 3.231 44 HB VAL 925 HB VAL 925 -2.753 -10.995 1.279 45 1HG1 VAL 925 1HG1 VAL 925 -1.906 -11.433 3.520 46 2HG1 VAL 925 2HG1 VAL 925 -3.386 -12.301 3.933 47 3HG1 VAL 925 3HG1 VAL 925 -2.295 -12.949 2.708 48 1HG2 VAL 925 1HG2 VAL 925 -5.023 -11.637 0.641 49 2HG2 VAL 925 2HG2 VAL 925 -4.048 -13.057 1.022 50 3HG2 VAL 925 3HG2 VAL 925 -5.234 -12.463 2.185 51 H TYR 926 H TYR 926 -6.134 -10.174 1.046 52 HA TYR 926 HA TYR 926 -5.048 -8.296 -0.895 53 1HB TYR 926 HB1 TYR 926 -6.220 -10.166 -1.794 54 2HB TYR 926 HB2 TYR 926 -7.564 -9.964 -0.681 55 HD1 TYR 926 HD1 TYR 926 -9.197 -8.115 -1.042 56 HD2 TYR 926 HD2 TYR 926 -6.164 -9.052 -3.881 57 HE1 TYR 926 HE1 TYR 926 -10.441 -6.883 -2.780 58 HE2 TYR 926 HE2 TYR 926 -7.396 -7.820 -5.616 59 HH TYR 926 HH TYR 926 -10.114 -5.820 -4.883 60 H GLU 927 H GLU 927 -7.304 -8.506 1.664 61 HA GLU 927 HA GLU 927 -9.003 -6.370 1.146 62 1HB GLU 927 HB1 GLU 927 -9.183 -8.309 2.821 63 2HB GLU 927 HB2 GLU 927 -8.242 -7.286 3.899 64 1HG GLU 927 HG1 GLU 927 -10.118 -5.541 3.187 65 2HG GLU 927 HG2 GLU 927 -11.020 -7.040 2.982 66 H ASN 928 H ASN 928 -6.234 -6.495 3.409 67 HA ASN 928 HA ASN 928 -6.577 -3.747 4.111 68 1HB ASN 928 HB1 ASN 928 -5.513 -5.691 5.486 69 2HB ASN 928 HB2 ASN 928 -4.040 -5.247 4.634 70 1HD2 ASN 928 2HD2 ASN 928 -4.636 -2.398 4.564 71 2HD2 ASN 928 1HD2 ASN 928 -4.441 -1.824 6.185 72 H VAL 929 H VAL 929 -4.424 -5.485 1.881 73 HA VAL 929 HA VAL 929 -2.903 -3.232 1.195 74 HB VAL 929 HB VAL 929 -3.644 -5.492 -0.678 75 1HG1 VAL 929 1HG1 VAL 929 -1.540 -4.876 -1.792 76 2HG1 VAL 929 2HG1 VAL 929 -2.707 -3.554 -1.813 77 3HG1 VAL 929 3HG1 VAL 929 -1.356 -3.520 -0.678 78 1HG2 VAL 929 1HG2 VAL 929 -2.654 -6.309 1.416 79 2HG2 VAL 929 2HG2 VAL 929 -1.558 -6.527 0.052 80 3HG2 VAL 929 3HG2 VAL 929 -1.292 -5.212 1.198 81 H THR 930 H THR 930 -6.060 -4.327 0.040 82 HA THR 930 HA THR 930 -6.506 -2.195 -1.770 83 HB THR 930 HB THR 930 -8.555 -3.651 -0.074 84 HG1 THR 930 HG1 THR 930 -7.364 -5.104 -1.375 85 1HG2 THR 930 1HG2 THR 930 -9.424 -1.594 -1.083 86 2HG2 THR 930 2HG2 THR 930 -8.872 -2.134 -2.668 87 3HG2 THR 930 3HG2 THR 930 -10.144 -3.022 -1.828 88 H GLY 931 H GLY 931 -7.042 -2.624 1.675 89 1HA GLY 931 HA1 GLY 931 -8.171 -0.177 2.353 90 2HA GLY 931 HA2 GLY 931 -7.143 -1.123 3.416 91 H LEU 932 H LEU 932 -4.791 -0.915 1.654 92 HA LEU 932 HA LEU 932 -3.735 1.572 2.493 93 1HB LEU 932 HB1 LEU 932 -2.189 -0.189 2.120 94 2HB LEU 932 HB2 LEU 932 -2.820 -0.501 0.511 95 HG LEU 932 HG LEU 932 -1.820 1.590 -0.305 96 1HD1 LEU 932 1HD1 LEU 932 -1.932 2.905 1.745 97 2HD1 LEU 932 2HD1 LEU 932 -0.709 1.867 2.480 98 3HD1 LEU 932 3HD1 LEU 932 -0.293 2.871 1.093 99 1HD2 LEU 932 1HD2 LEU 932 0.131 -0.153 1.195 100 2HD2 LEU 932 2HD2 LEU 932 -0.520 -0.474 -0.412 101 3HD2 LEU 932 3HD2 LEU 932 0.523 0.924 -0.145 102 H VAL 933 H VAL 933 -5.132 0.444 -0.547 103 HA VAL 933 HA VAL 933 -4.834 2.880 -1.969 104 HB VAL 933 HB VAL 933 -7.000 0.802 -2.360 105 1HG1 VAL 933 1HG1 VAL 933 -5.813 2.833 -4.247 106 2HG1 VAL 933 2HG1 VAL 933 -7.009 1.612 -4.677 107 3HG1 VAL 933 3HG1 VAL 933 -7.425 2.887 -3.534 108 1HG2 VAL 933 1HG2 VAL 933 -5.509 -0.218 -4.019 109 2HG2 VAL 933 2HG2 VAL 933 -4.237 0.916 -3.566 110 3HG2 VAL 933 3HG2 VAL 933 -4.816 -0.271 -2.397 111 H LYS 934 H LYS 934 -7.433 1.560 0.040 112 HA LYS 934 HA LYS 934 -9.261 3.653 -0.241 113 1HB LYS 934 HB1 LYS 934 -8.844 2.062 2.292 114 2HB LYS 934 HB2 LYS 934 -10.315 2.860 1.766 115 1HG LYS 934 HG1 LYS 934 -9.046 0.468 0.446 116 2HG LYS 934 HG2 LYS 934 -10.439 0.432 1.523 117 1HD LYS 934 HD1 LYS 934 -11.558 0.443 -0.450 118 2HD LYS 934 HD2 LYS 934 -11.345 2.186 -0.282 119 1HE LYS 934 HE1 LYS 934 -9.411 2.135 -1.722 120 2HE LYS 934 HE2 LYS 934 -9.470 0.375 -1.799 121 1HZ LYS 934 HZ1 LYS 934 -10.410 1.349 -3.786 122 2HZ LYS 934 HZ2 LYS 934 -11.624 0.548 -2.919 123 3HZ LYS 934 HZ3 LYS 934 -11.526 2.237 -2.873 124 H ALA 935 H ALA 935 -6.389 3.326 1.707 125 HA ALA 935 HA ALA 935 -6.905 5.621 3.333 126 1HB ALA 935 HB1 ALA 935 -4.312 4.183 2.854 127 2HB ALA 935 HB2 ALA 935 -4.655 5.336 4.144 128 3HB ALA 935 HB3 ALA 935 -5.494 3.784 4.101 129 H VAL 936 H VAL 936 -5.318 5.070 0.245 130 HA VAL 936 HA VAL 936 -4.442 7.821 0.208 131 HB VAL 936 HB VAL 936 -3.110 6.068 -0.935 132 1HG1 VAL 936 1HG1 VAL 936 -3.780 5.266 -3.134 133 2HG1 VAL 936 2HG1 VAL 936 -4.936 4.760 -1.902 134 3HG1 VAL 936 3HG1 VAL 936 -5.328 6.098 -2.981 135 1HG2 VAL 936 1HG2 VAL 936 -2.599 7.407 -2.936 136 2HG2 VAL 936 2HG2 VAL 936 -4.080 8.330 -2.681 137 3HG2 VAL 936 3HG2 VAL 936 -2.781 8.402 -1.489 138 H ILE 937 H ILE 937 -7.301 6.165 -0.269 139 HA ILE 937 HA ILE 937 -8.570 8.282 -1.755 140 HB ILE 937 HB ILE 937 -9.789 6.112 -0.037 141 1HG1 ILE 937 1HG1 ILE 937 -9.560 6.396 -3.041 142 2HG1 ILE 937 2HG1 ILE 937 -8.679 5.246 -2.039 143 1HG2 ILE 937 1HG2 ILE 937 -11.921 6.725 -1.086 144 2HG2 ILE 937 2HG2 ILE 937 -11.250 8.054 -0.138 145 3HG2 ILE 937 3HG2 ILE 937 -11.126 8.073 -1.898 146 1HD1 ILE 937 1HD1 ILE 937 -10.771 4.149 -1.449 147 2HD1 ILE 937 2HD1 ILE 937 -11.661 5.310 -2.435 148 3HD1 ILE 937 3HD1 ILE 937 -10.534 4.188 -3.197 149 H GLU 938 H GLU 938 -8.243 7.273 1.638 150 HA GLU 938 HA GLU 938 -9.341 9.438 2.953 151 1HB GLU 938 HB1 GLU 938 -6.682 8.133 3.606 152 2HB GLU 938 HB2 GLU 938 -7.634 9.121 4.702 153 1HG GLU 938 HG1 GLU 938 -8.498 6.479 3.542 154 2HG GLU 938 HG2 GLU 938 -7.871 6.734 5.169 155 H MET 939 H MET 939 -6.256 9.164 1.323 156 HA MET 939 HA MET 939 -5.183 11.667 1.971 157 1HB MET 939 HB1 MET 939 -3.711 10.093 1.016 158 2HB MET 939 HB2 MET 939 -4.768 9.804 -0.355 159 1HG MET 939 HG1 MET 939 -3.581 12.513 0.018 160 2HG MET 939 HG2 MET 939 -2.579 11.207 -0.611 161 1HE MET 939 HE1 MET 939 -2.154 12.629 -2.845 162 2HE MET 939 HE2 MET 939 -3.458 13.308 -3.822 163 3HE MET 939 HE3 MET 939 -3.158 13.926 -2.197 164 H SER 940 H SER 940 -7.264 10.695 -0.739 165 HA SER 940 HA SER 940 -7.263 13.309 -1.875 166 1HB SER 940 HB1 SER 940 -9.233 12.313 -3.224 167 2HB SER 940 HB2 SER 940 -7.624 11.630 -3.449 168 HG SER 940 HG SER 940 -9.358 10.533 -1.520 169 H SER 941 H SER 941 -9.212 11.753 0.591 170 HA SER 941 HA SER 941 -11.374 13.675 0.263 171 1HB SER 941 HB1 SER 941 -12.042 12.617 2.574 172 2HB SER 941 HB2 SER 941 -12.232 11.677 1.095 173 HG SER 941 HG SER 941 -10.614 10.406 1.664 174 H LYS 942 H LYS 942 -8.815 12.921 2.493 175 HA LYS 942 HA LYS 942 -8.849 15.027 4.242 176 1HB LYS 942 HB1 LYS 942 -6.919 13.109 3.227 177 2HB LYS 942 HB2 LYS 942 -6.162 14.649 3.617 178 1HG LYS 942 HG1 LYS 942 -7.956 13.187 5.520 179 2HG LYS 942 HG2 LYS 942 -6.206 12.947 5.453 180 1HD LYS 942 HD1 LYS 942 -5.807 15.247 5.943 181 2HD LYS 942 HD2 LYS 942 -7.529 15.623 5.809 182 1HE LYS 942 HE1 LYS 942 -7.082 13.496 7.715 183 2HE LYS 942 HE2 LYS 942 -6.112 14.907 8.130 184 1HZ LYS 942 HZ1 LYS 942 -8.362 14.897 9.135 185 2HZ LYS 942 HZ2 LYS 942 -8.057 16.261 8.176 186 3HZ LYS 942 HZ3 LYS 942 -9.030 15.003 7.579 187 H ILE 943 H ILE 943 -7.519 14.889 0.971 188 HA ILE 943 HA ILE 943 -6.245 17.401 1.098 189 HB ILE 943 HB ILE 943 -5.981 15.351 -0.593 190 1HG1 ILE 943 1HG1 ILE 943 -4.478 17.332 -0.351 191 2HG1 ILE 943 2HG1 ILE 943 -4.591 16.712 -1.989 192 1HG2 ILE 943 1HG2 ILE 943 -6.824 15.905 -2.825 193 2HG2 ILE 943 2HG2 ILE 943 -8.128 15.598 -1.677 194 3HG2 ILE 943 3HG2 ILE 943 -7.730 17.253 -2.138 195 1HD1 ILE 943 1HD1 ILE 943 -5.990 19.149 -0.915 196 2HD1 ILE 943 2HD1 ILE 943 -4.573 19.130 -1.965 197 3HD1 ILE 943 3HD1 ILE 943 -6.121 18.530 -2.562 198 H GLN 944 H GLN 944 -9.504 16.417 0.314 199 HA GLN 944 HA GLN 944 -10.362 18.557 -1.203 200 1HB GLN 944 HB1 GLN 944 -11.917 16.992 0.855 201 2HB GLN 944 HB2 GLN 944 -12.645 18.132 -0.270 202 1HG GLN 944 HG1 GLN 944 -11.187 15.590 -0.954 203 2HG GLN 944 HG2 GLN 944 -12.916 15.902 -1.107 204 1HE2 GLN 944 2HE2 GLN 944 -10.947 15.106 -3.114 205 2HE2 GLN 944 1HE2 GLN 944 -11.016 16.310 -4.354 206 HA PRO 945 HA PRO 945 -10.877 21.387 2.448 207 1HB PRO 945 HB1 PRO 945 -11.300 20.470 4.962 208 2HB PRO 945 HB2 PRO 945 -12.568 20.527 3.736 209 1HG PRO 945 HG1 PRO 945 -11.261 18.208 4.910 210 2HG PRO 945 HG2 PRO 945 -12.698 18.272 3.880 211 1HD PRO 945 HD1 PRO 945 -9.916 17.690 3.155 212 2HD PRO 945 HD2 PRO 945 -11.406 17.385 2.239 213 H ALA 946 H ALA 946 -8.283 19.806 2.047 214 HA ALA 946 HA ALA 946 -6.880 19.984 4.556 215 1HB ALA 946 HB1 ALA 946 -5.844 19.315 1.815 216 2HB ALA 946 HB2 ALA 946 -4.990 19.087 3.342 217 3HB ALA 946 HB3 ALA 946 -6.452 18.161 3.002 218 HA PRO 947 HA PRO 947 -4.514 23.728 3.634 219 1HB PRO 947 HB1 PRO 947 -3.813 24.169 6.194 220 2HB PRO 947 HB2 PRO 947 -5.383 24.698 5.578 221 1HG PRO 947 HG1 PRO 947 -4.704 22.296 7.223 222 2HG PRO 947 HG2 PRO 947 -6.083 23.401 7.366 223 1HD PRO 947 HD1 PRO 947 -6.188 20.952 6.124 224 2HD PRO 947 HD2 PRO 947 -7.282 22.299 5.765 225 HA PRO 948 HA PRO 948 -0.433 21.818 3.828 226 1HB PRO 948 HB1 PRO 948 0.867 23.113 5.944 227 2HB PRO 948 HB2 PRO 948 0.903 23.594 4.245 228 1HG PRO 948 HG1 PRO 948 -0.784 24.631 6.477 229 2HG PRO 948 HG2 PRO 948 -0.075 25.498 5.101 230 1HD PRO 948 HD1 PRO 948 -2.675 24.902 5.156 231 2HD PRO 948 HD2 PRO 948 -1.750 24.795 3.642 232 H GLU 949 H GLU 949 -1.737 22.448 7.032 233 HA GLU 949 HA GLU 949 -0.338 20.433 8.396 234 1HB GLU 949 HB1 GLU 949 -2.869 21.936 8.991 235 2HB GLU 949 HB2 GLU 949 -2.216 20.735 10.096 236 1HG GLU 949 HG1 GLU 949 -0.161 22.012 10.298 237 2HG GLU 949 HG2 GLU 949 -0.772 23.199 9.147 238 H GLU 950 H GLU 950 -2.793 20.116 6.107 239 HA GLU 950 HA GLU 950 -3.506 17.495 7.215 240 1HB GLU 950 HB1 GLU 950 -4.908 19.137 5.118 241 2HB GLU 950 HB2 GLU 950 -5.380 17.513 5.607 242 1HG GLU 950 HG1 GLU 950 -5.171 19.740 7.595 243 2HG GLU 950 HG2 GLU 950 -6.620 19.510 6.623 244 H TYR 951 H TYR 951 -1.769 19.061 4.709 245 HA TYR 951 HA TYR 951 -1.769 17.064 2.743 246 1HB TYR 951 HB1 TYR 951 0.278 19.125 3.533 247 2HB TYR 951 HB2 TYR 951 0.620 17.943 2.273 248 HD1 TYR 951 HD1 TYR 951 -0.395 21.184 2.779 249 HD2 TYR 951 HD2 TYR 951 -1.487 17.739 0.536 250 HE1 TYR 951 HE1 TYR 951 -1.517 22.617 1.133 251 HE2 TYR 951 HE2 TYR 951 -2.611 19.166 -1.117 252 HH TYR 951 HH TYR 951 -2.147 22.462 -1.320 253 H VAL 952 H VAL 952 0.042 17.454 5.712 254 HA VAL 952 HA VAL 952 1.558 15.087 5.206 255 HB VAL 952 HB VAL 952 2.863 16.417 6.471 256 1HG1 VAL 952 1HG1 VAL 952 1.339 18.199 6.929 257 2HG1 VAL 952 2HG1 VAL 952 0.465 17.227 8.113 258 3HG1 VAL 952 3HG1 VAL 952 2.120 17.739 8.440 259 1HG2 VAL 952 1HG2 VAL 952 3.033 15.556 8.768 260 2HG2 VAL 952 2HG2 VAL 952 1.447 14.803 8.598 261 3HG2 VAL 952 3HG2 VAL 952 2.791 14.266 7.591 262 HA PRO 953 HA PRO 953 -1.559 13.037 8.484 263 1HB PRO 953 HB1 PRO 953 -3.853 14.763 7.704 264 2HB PRO 953 HB2 PRO 953 -3.528 13.947 9.244 265 1HG PRO 953 HG1 PRO 953 -3.082 16.527 9.048 266 2HG PRO 953 HG2 PRO 953 -1.885 15.490 9.853 267 1HD PRO 953 HD1 PRO 953 -1.830 16.664 7.095 268 2HD PRO 953 HD2 PRO 953 -0.516 16.514 8.279 269 H MET 954 H MET 954 -2.745 14.444 5.392 270 HA MET 954 HA MET 954 -4.425 12.279 4.763 271 1HB MET 954 HB1 MET 954 -4.428 13.040 2.489 272 2HB MET 954 HB2 MET 954 -4.390 14.462 3.518 273 1HG MET 954 HG1 MET 954 -1.986 14.676 3.117 274 2HG MET 954 HG2 MET 954 -2.044 13.264 2.067 275 1HE MET 954 HE1 MET 954 -3.289 16.932 2.614 276 2HE MET 954 HE2 MET 954 -4.259 17.197 1.165 277 3HE MET 954 HE3 MET 954 -4.783 16.029 2.378 278 H VAL 955 H VAL 955 -1.090 12.927 3.769 279 HA VAL 955 HA VAL 955 -0.569 10.358 2.803 280 HB VAL 955 HB VAL 955 1.421 12.230 4.096 281 1HG1 VAL 955 1HG1 VAL 955 1.825 9.921 2.198 282 2HG1 VAL 955 2HG1 VAL 955 3.083 11.020 2.766 283 3HG1 VAL 955 3HG1 VAL 955 2.263 9.953 3.906 284 1HG2 VAL 955 1HG2 VAL 955 0.594 11.932 1.209 285 2HG2 VAL 955 2HG2 VAL 955 0.216 13.295 2.263 286 3HG2 VAL 955 3HG2 VAL 955 1.888 12.970 1.809 287 H LYS 956 H LYS 956 -0.704 11.531 6.078 288 HA LYS 956 HA LYS 956 0.704 9.405 7.310 289 1HB LYS 956 HB1 LYS 956 -0.004 11.540 8.431 290 2HB LYS 956 HB2 LYS 956 -1.651 10.929 8.439 291 1HG LYS 956 HG1 LYS 956 -0.599 10.616 10.597 292 2HG LYS 956 HG2 LYS 956 -0.960 9.063 9.843 293 1HD LYS 956 HD1 LYS 956 1.313 8.716 9.261 294 2HD LYS 956 HD2 LYS 956 1.743 10.380 9.668 295 1HE LYS 956 HE1 LYS 956 0.769 8.295 11.616 296 2HE LYS 956 HE2 LYS 956 2.453 8.773 11.393 297 1HZ LYS 956 HZ1 LYS 956 0.255 10.568 12.281 298 2HZ LYS 956 HZ2 LYS 956 1.439 9.898 13.286 299 3HZ LYS 956 HZ3 LYS 956 1.879 11.014 12.089 300 H GLU 957 H GLU 957 -2.624 9.856 6.328 301 HA GLU 957 HA GLU 957 -3.744 7.476 7.179 302 1HB GLU 957 HB1 GLU 957 -4.327 9.109 4.699 303 2HB GLU 957 HB2 GLU 957 -5.286 7.707 5.162 304 1HG GLU 957 HG1 GLU 957 -4.905 10.247 6.722 305 2HG GLU 957 HG2 GLU 957 -6.380 9.672 5.945 306 H VAL 958 H VAL 958 -2.014 8.015 4.059 307 HA VAL 958 HA VAL 958 -2.213 5.263 3.340 308 HB VAL 958 HB VAL 958 -0.810 5.699 1.497 309 1HG1 VAL 958 1HG1 VAL 958 -2.976 6.785 1.349 310 2HG1 VAL 958 2HG1 VAL 958 -2.317 8.237 2.104 311 3HG1 VAL 958 3HG1 VAL 958 -1.744 7.733 0.514 312 1HG2 VAL 958 1HG2 VAL 958 0.591 7.681 1.261 313 2HG2 VAL 958 2HG2 VAL 958 0.122 8.214 2.876 314 3HG2 VAL 958 3HG2 VAL 958 1.058 6.732 2.672 315 H GLY 959 H GLY 959 0.111 7.061 5.263 316 1HA GLY 959 HA1 GLY 959 2.168 5.070 5.128 317 2HA GLY 959 HA2 GLY 959 2.075 6.384 6.290 318 H LEU 960 H LEU 960 -0.189 5.925 7.639 319 HA LEU 960 HA LEU 960 0.169 3.676 9.254 320 1HB LEU 960 HB1 LEU 960 -2.379 5.195 8.677 321 2HB LEU 960 HB2 LEU 960 -2.162 4.066 10.000 322 HG LEU 960 HG LEU 960 -0.587 6.620 9.668 323 1HD1 LEU 960 1HD1 LEU 960 -1.953 7.489 11.489 324 2HD1 LEU 960 2HD1 LEU 960 -2.944 7.087 10.086 325 3HD1 LEU 960 3HD1 LEU 960 -2.915 6.009 11.483 326 1HD2 LEU 960 1HD2 LEU 960 0.606 4.903 10.909 327 2HD2 LEU 960 2HD2 LEU 960 0.080 6.196 11.989 328 3HD2 LEU 960 3HD2 LEU 960 -0.794 4.665 11.955 329 H ALA 961 H ALA 961 -1.552 4.114 6.287 330 HA ALA 961 HA ALA 961 -3.046 1.748 6.230 331 1HB ALA 961 HB1 ALA 961 -3.135 2.005 3.822 332 2HB ALA 961 HB2 ALA 961 -3.385 3.551 4.635 333 3HB ALA 961 HB3 ALA 961 -1.829 3.187 3.891 334 H LEU 962 H LEU 962 0.193 2.326 4.711 335 HA LEU 962 HA LEU 962 0.505 -0.385 4.042 336 1HB LEU 962 HB1 LEU 962 1.764 1.181 2.841 337 2HB LEU 962 HB2 LEU 962 2.428 1.901 4.296 338 HG LEU 962 HG LEU 962 3.113 -0.942 3.698 339 1HD1 LEU 962 1HD1 LEU 962 4.947 -0.227 2.253 340 2HD1 LEU 962 2HD1 LEU 962 3.383 0.178 1.547 341 3HD1 LEU 962 3HD1 LEU 962 4.355 1.433 2.317 342 1HD2 LEU 962 1HD2 LEU 962 3.910 0.098 5.758 343 2HD2 LEU 962 2HD2 LEU 962 5.256 -0.262 4.676 344 3HD2 LEU 962 3HD2 LEU 962 4.663 1.393 4.824 345 H ARG 963 H ARG 963 1.421 1.409 6.977 346 HA ARG 963 HA ARG 963 2.760 -0.719 8.205 347 1HB ARG 963 HB1 ARG 963 1.239 1.614 9.348 348 2HB ARG 963 HB2 ARG 963 2.069 0.441 10.365 349 1HG ARG 963 HG1 ARG 963 3.342 2.163 8.245 350 2HG ARG 963 HG2 ARG 963 3.459 2.396 9.990 351 1HD ARG 963 HD1 ARG 963 4.659 0.351 10.255 352 2HD ARG 963 HD2 ARG 963 4.364 -0.103 8.579 353 HE ARG 963 HE ARG 963 5.767 2.342 8.671 354 1HH1 ARG 963 2HH1 ARG 963 6.238 -1.057 9.326 355 2HH1 ARG 963 1HH1 ARG 963 7.918 -1.053 8.899 356 1HH2 ARG 963 2HH2 ARG 963 7.992 2.371 8.091 357 2HH2 ARG 963 1HH2 ARG 963 8.924 0.901 8.214 358 H THR 964 H THR 964 -0.689 0.198 8.538 359 HA THR 964 HA THR 964 -1.476 -2.093 9.926 360 HB THR 964 HB THR 964 -3.182 -0.748 7.830 361 HG1 THR 964 HG1 THR 964 -2.722 0.969 9.041 362 1HG2 THR 964 1HG2 THR 964 -4.121 -2.781 8.808 363 2HG2 THR 964 2HG2 THR 964 -3.856 -2.138 10.427 364 3HG2 THR 964 3HG2 THR 964 -5.013 -1.357 9.348 365 H LEU 965 H LEU 965 -1.062 -1.528 6.489 366 HA LEU 965 HA LEU 965 -1.855 -3.991 5.459 367 1HB LEU 965 HB1 LEU 965 -1.468 -2.211 3.969 368 2HB LEU 965 HB2 LEU 965 0.139 -1.920 4.594 369 HG LEU 965 HG LEU 965 -0.427 -4.494 3.167 370 1HD1 LEU 965 1HD1 LEU 965 0.228 -1.871 1.830 371 2HD1 LEU 965 2HD1 LEU 965 0.079 -3.445 1.048 372 3HD1 LEU 965 3HD1 LEU 965 -1.337 -2.675 1.762 373 1HD2 LEU 965 1HD2 LEU 965 1.916 -4.257 2.524 374 2HD2 LEU 965 2HD2 LEU 965 1.991 -2.686 3.325 375 3HD2 LEU 965 3HD2 LEU 965 1.744 -4.152 4.276 376 H LEU 966 H LEU 966 1.004 -3.029 7.132 377 HA LEU 966 HA LEU 966 2.672 -5.228 6.454 378 1HB LEU 966 HB1 LEU 966 3.549 -3.128 7.386 379 2HB LEU 966 HB2 LEU 966 2.760 -3.477 8.911 380 HG LEU 966 HG LEU 966 4.187 -5.507 9.131 381 1HD1 LEU 966 1HD1 LEU 966 5.635 -4.361 6.749 382 2HD1 LEU 966 2HD1 LEU 966 6.132 -5.756 7.708 383 3HD1 LEU 966 3HD1 LEU 966 4.657 -5.829 6.744 384 1HD2 LEU 966 1HD2 LEU 966 4.793 -3.463 10.274 385 2HD2 LEU 966 2HD2 LEU 966 6.243 -4.276 9.686 386 3HD2 LEU 966 3HD2 LEU 966 5.614 -2.868 8.830 387 H ALA 967 H ALA 967 0.248 -4.738 8.968 388 HA ALA 967 HA ALA 967 0.724 -7.158 10.378 389 1HB ALA 967 HB1 ALA 967 -1.880 -5.666 10.017 390 2HB ALA 967 HB2 ALA 967 -1.555 -6.903 11.232 391 3HB ALA 967 HB3 ALA 967 -0.687 -5.370 11.283 392 H THR 968 H THR 968 -1.353 -6.331 7.659 393 HA THR 968 HA THR 968 -2.321 -8.890 7.081 394 HB THR 968 HB THR 968 -1.977 -6.347 5.596 395 HG1 THR 968 HG1 THR 968 -4.299 -7.657 5.266 396 1HG2 THR 968 1HG2 THR 968 -1.221 -7.984 3.937 397 2HG2 THR 968 2HG2 THR 968 -2.695 -8.917 4.194 398 3HG2 THR 968 3HG2 THR 968 -2.786 -7.294 3.509 399 H VAL 969 H VAL 969 0.636 -7.246 6.034 400 HA VAL 969 HA VAL 969 1.811 -9.257 4.548 401 HB VAL 969 HB VAL 969 3.168 -7.337 6.448 402 1HG1 VAL 969 1HG1 VAL 969 4.415 -9.027 4.284 403 2HG1 VAL 969 2HG1 VAL 969 5.237 -7.807 5.257 404 3HG1 VAL 969 3HG1 VAL 969 4.613 -9.269 6.020 405 1HG2 VAL 969 1HG2 VAL 969 1.938 -6.277 4.633 406 2HG2 VAL 969 2HG2 VAL 969 3.678 -6.086 4.414 407 3HG2 VAL 969 3HG2 VAL 969 2.794 -7.276 3.460 408 H ASP 970 H ASP 970 1.408 -9.099 8.034 409 HA ASP 970 HA ASP 970 3.161 -11.231 8.690 410 1HB ASP 970 HB1 ASP 970 2.400 -9.727 10.435 411 2HB ASP 970 HB2 ASP 970 0.724 -10.163 10.127 412 H GLU 971 H GLU 971 -0.112 -11.160 7.568 413 HA GLU 971 HA GLU 971 -0.645 -13.937 7.954 414 1HB GLU 971 HB1 GLU 971 -1.684 -12.002 5.878 415 2HB GLU 971 HB2 GLU 971 -2.325 -13.623 6.131 416 1HG GLU 971 HG1 GLU 971 -2.197 -11.540 8.284 417 2HG GLU 971 HG2 GLU 971 -3.603 -11.768 7.227 418 H SER 972 H SER 972 0.534 -12.103 5.191 419 HA SER 972 HA SER 972 1.032 -14.308 3.521 420 1HB SER 972 HB1 SER 972 1.979 -12.657 2.050 421 2HB SER 972 HB2 SER 972 0.620 -11.911 2.872 422 HG SER 972 HG SER 972 2.742 -11.472 4.381 423 H LEU 973 H LEU 973 2.715 -12.892 6.147 424 HA LEU 973 HA LEU 973 5.383 -13.357 5.496 425 1HB LEU 973 HB1 LEU 973 4.710 -11.906 7.314 426 2HB LEU 973 HB2 LEU 973 4.024 -13.258 8.188 427 HG LEU 973 HG LEU 973 6.307 -14.213 8.435 428 1HD1 LEU 973 1HD1 LEU 973 7.348 -13.168 6.486 429 2HD1 LEU 973 2HD1 LEU 973 7.192 -11.585 7.249 430 3HD1 LEU 973 3HD1 LEU 973 8.241 -12.809 7.964 431 1HD2 LEU 973 1HD2 LEU 973 5.302 -12.871 10.203 432 2HD2 LEU 973 2HD2 LEU 973 7.043 -12.611 10.127 433 3HD2 LEU 973 3HD2 LEU 973 5.943 -11.402 9.466 434 HA PRO 974 HA PRO 974 5.254 -17.719 7.543 435 1HB PRO 974 HB1 PRO 974 2.371 -18.372 7.604 436 2HB PRO 974 HB2 PRO 974 3.619 -18.698 8.811 437 1HG PRO 974 HG1 PRO 974 1.760 -16.823 9.215 438 2HG PRO 974 HG2 PRO 974 3.432 -16.603 9.766 439 1HD PRO 974 HD1 PRO 974 2.069 -15.472 7.350 440 2HD PRO 974 HD2 PRO 974 3.185 -14.684 8.483 441 H VAL 975 H VAL 975 2.849 -16.522 5.298 442 HA VAL 975 HA VAL 975 2.892 -18.918 3.673 443 HB VAL 975 HB VAL 975 2.001 -16.217 2.704 444 1HG1 VAL 975 1HG1 VAL 975 0.520 -17.564 1.313 445 2HG1 VAL 975 2HG1 VAL 975 2.210 -18.002 1.055 446 3HG1 VAL 975 3HG1 VAL 975 1.172 -19.034 2.038 447 1HG2 VAL 975 1HG2 VAL 975 -0.236 -16.777 3.524 448 2HG2 VAL 975 2HG2 VAL 975 0.405 -18.230 4.292 449 3HG2 VAL 975 3HG2 VAL 975 0.912 -16.637 4.855 450 H LEU 976 H LEU 976 5.083 -16.282 3.998 451 HA LEU 976 HA LEU 976 5.948 -16.499 1.273 452 1HB LEU 976 HB1 LEU 976 7.677 -14.858 1.752 453 2HB LEU 976 HB2 LEU 976 6.075 -14.311 2.173 454 HG LEU 976 HG LEU 976 6.800 -15.028 4.596 455 1HD1 LEU 976 1HD1 LEU 976 8.926 -16.031 3.977 456 2HD1 LEU 976 2HD1 LEU 976 9.449 -14.509 3.258 457 3HD1 LEU 976 3HD1 LEU 976 9.178 -14.615 4.998 458 1HD2 LEU 976 1HD2 LEU 976 7.810 -12.548 3.219 459 2HD2 LEU 976 2HD2 LEU 976 6.192 -12.782 3.880 460 3HD2 LEU 976 3HD2 LEU 976 7.588 -12.749 4.957 461 HA PRO 977 HA PRO 977 9.615 -19.001 3.112 462 1HB PRO 977 HB1 PRO 977 8.302 -20.405 5.349 463 2HB PRO 977 HB2 PRO 977 9.921 -19.703 5.263 464 1HG PRO 977 HG1 PRO 977 7.987 -18.580 6.740 465 2HG PRO 977 HG2 PRO 977 9.194 -17.602 5.878 466 1HD PRO 977 HD1 PRO 977 6.360 -18.218 5.120 467 2HD PRO 977 HD2 PRO 977 7.243 -16.682 5.021 468 H ALA 978 H ALA 978 6.213 -19.785 3.424 469 HA ALA 978 HA ALA 978 6.381 -22.414 2.379 470 1HB ALA 978 HB1 ALA 978 4.435 -21.612 3.621 471 2HB ALA 978 HB2 ALA 978 4.061 -20.491 2.312 472 3HB ALA 978 HB3 ALA 978 3.980 -22.231 2.034 473 H SER 979 H SER 979 5.640 -19.272 0.811 474 HA SER 979 HA SER 979 6.557 -20.232 -1.738 475 1HB SER 979 HB1 SER 979 3.619 -20.049 -1.108 476 2HB SER 979 HB2 SER 979 4.212 -19.894 -2.769 477 HG SER 979 HG SER 979 5.231 -22.037 -1.342 478 H THR 980 H THR 980 4.465 -17.821 -0.197 479 HA THR 980 HA THR 980 4.333 -15.797 -2.014 480 HB THR 980 HB THR 980 4.672 -15.482 0.967 481 HG1 THR 980 HG1 THR 980 2.547 -16.237 -0.713 482 1HG2 THR 980 1HG2 THR 980 4.832 -13.338 -0.221 483 2HG2 THR 980 2HG2 THR 980 3.310 -13.684 -1.043 484 3HG2 THR 980 3HG2 THR 980 3.334 -13.454 0.704 485 H HIS 981 H HIS 981 7.259 -16.669 -0.395 486 HA HIS 981 HA HIS 981 8.552 -14.282 0.021 487 1HB HIS 981 HB1 HIS 981 9.302 -16.778 0.406 488 2HB HIS 981 HB2 HIS 981 10.133 -16.544 -1.126 489 HD1 HIS 981 HD1 HIS 981 11.842 -14.340 -1.104 490 HD2 HIS 981 HD2 HIS 981 10.713 -15.991 2.549 491 HE1 HIS 981 HE1 HIS 981 13.540 -13.539 0.568 492 HE2 HIS 981 HE2 HIS 981 12.954 -14.715 2.716 493 H ARG 982 H ARG 982 7.722 -15.587 -3.027 494 HA ARG 982 HA ARG 982 9.903 -14.335 -4.472 495 1HB ARG 982 HB1 ARG 982 7.330 -15.499 -5.547 496 2HB ARG 982 HB2 ARG 982 8.722 -15.026 -6.508 497 1HG ARG 982 HG1 ARG 982 8.641 -17.234 -4.460 498 2HG ARG 982 HG2 ARG 982 8.653 -17.429 -6.212 499 1HD ARG 982 HD1 ARG 982 10.864 -16.337 -6.294 500 2HD ARG 982 HD2 ARG 982 10.853 -16.224 -4.533 501 HE ARG 982 HE ARG 982 10.435 -18.903 -5.467 502 1HH1 ARG 982 2HH1 ARG 982 12.933 -16.515 -4.778 503 2HH1 ARG 982 1HH1 ARG 982 14.165 -17.721 -4.541 504 1HH2 ARG 982 2HH2 ARG 982 12.033 -20.446 -5.132 505 2HH2 ARG 982 1HH2 ARG 982 13.650 -19.966 -4.714 506 H GLU 983 H GLU 983 6.348 -13.755 -4.352 507 HA GLU 983 HA GLU 983 6.677 -11.222 -5.655 508 1HB GLU 983 HB1 GLU 983 4.309 -10.886 -5.191 509 2HB GLU 983 HB2 GLU 983 4.607 -12.373 -6.029 510 1HG GLU 983 HG1 GLU 983 4.417 -12.407 -3.091 511 2HG GLU 983 HG2 GLU 983 2.951 -12.163 -4.037 512 H ILE 984 H ILE 984 6.202 -12.303 -2.351 513 HA ILE 984 HA ILE 984 5.618 -9.779 -1.252 514 HB ILE 984 HB ILE 984 5.378 -12.067 -0.126 515 1HG1 ILE 984 1HG1 ILE 984 5.776 -11.096 2.146 516 2HG1 ILE 984 2HG1 ILE 984 6.593 -9.735 1.381 517 1HG2 ILE 984 1HG2 ILE 984 8.272 -11.509 0.539 518 2HG2 ILE 984 2HG2 ILE 984 7.275 -12.757 1.285 519 3HG2 ILE 984 3HG2 ILE 984 7.662 -12.848 -0.433 520 1HD1 ILE 984 1HD1 ILE 984 4.515 -9.177 0.208 521 2HD1 ILE 984 2HD1 ILE 984 3.708 -10.514 1.024 522 3HD1 ILE 984 3HD1 ILE 984 4.323 -9.152 1.961 523 H GLU 985 H GLU 985 8.522 -11.214 -2.385 524 HA GLU 985 HA GLU 985 10.330 -9.383 -1.130 525 1HB GLU 985 HB1 GLU 985 10.516 -11.377 -3.328 526 2HB GLU 985 HB2 GLU 985 11.704 -10.083 -3.317 527 1HG GLU 985 HG1 GLU 985 12.323 -10.719 -1.016 528 2HG GLU 985 HG2 GLU 985 11.187 -12.065 -1.115 529 H MET 986 H MET 986 8.633 -9.530 -4.261 530 HA MET 986 HA MET 986 10.146 -7.312 -5.272 531 1HB MET 986 HB1 MET 986 8.747 -7.414 -7.241 532 2HB MET 986 HB2 MET 986 9.259 -9.028 -6.776 533 1HG MET 986 HG1 MET 986 7.087 -9.465 -5.802 534 2HG MET 986 HG2 MET 986 6.569 -7.821 -6.177 535 1HE MET 986 HE1 MET 986 7.514 -11.041 -9.344 536 2HE MET 986 HE2 MET 986 8.775 -10.206 -8.434 537 3HE MET 986 HE3 MET 986 7.655 -11.287 -7.605 538 H ALA 987 H ALA 987 6.856 -7.619 -4.006 539 HA ALA 987 HA ALA 987 6.202 -4.907 -4.619 540 1HB ALA 987 HB1 ALA 987 4.676 -6.911 -2.975 541 2HB ALA 987 HB2 ALA 987 4.063 -5.385 -3.618 542 3HB ALA 987 HB3 ALA 987 4.521 -6.685 -4.718 543 H GLN 988 H GLN 988 6.926 -6.755 -1.641 544 HA GLN 988 HA GLN 988 6.233 -4.665 0.105 545 1HB GLN 988 HB1 GLN 988 6.520 -7.006 0.851 546 2HB GLN 988 HB2 GLN 988 8.255 -6.854 0.613 547 1HG GLN 988 HG1 GLN 988 8.239 -4.996 2.278 548 2HG GLN 988 HG2 GLN 988 6.550 -5.381 2.602 549 1HE2 GLN 988 2HE2 GLN 988 7.063 -8.268 2.197 550 2HE2 GLN 988 1HE2 GLN 988 7.851 -8.795 3.640 551 H LYS 989 H LYS 989 9.378 -5.566 -1.311 552 HA LYS 989 HA LYS 989 10.848 -3.501 -0.029 553 1HB LYS 989 HB1 LYS 989 11.354 -5.069 -2.557 554 2HB LYS 989 HB2 LYS 989 12.486 -3.876 -1.935 555 1HG LYS 989 HG1 LYS 989 12.714 -5.167 0.128 556 2HG LYS 989 HG2 LYS 989 11.574 -6.359 -0.496 557 1HD LYS 989 HD1 LYS 989 13.749 -7.237 -0.857 558 2HD LYS 989 HD2 LYS 989 13.145 -6.706 -2.426 559 1HE LYS 989 HE1 LYS 989 14.947 -5.029 -0.689 560 2HE LYS 989 HE2 LYS 989 15.551 -6.141 -1.913 561 1HZ LYS 989 HZ1 LYS 989 13.938 -3.683 -2.312 562 2HZ LYS 989 HZ2 LYS 989 15.469 -4.047 -2.936 563 3HZ LYS 989 HZ3 LYS 989 14.105 -4.859 -3.525 564 H LEU 990 H LEU 990 8.927 -3.724 -2.903 565 HA LEU 990 HA LEU 990 9.649 -1.266 -4.086 566 1HB LEU 990 HB1 LEU 990 8.603 -2.659 -5.564 567 2HB LEU 990 HB2 LEU 990 7.517 -3.307 -4.358 568 HG LEU 990 HG LEU 990 6.114 -1.323 -4.540 569 1HD1 LEU 990 1HD1 LEU 990 6.493 0.299 -6.332 570 2HD1 LEU 990 2HD1 LEU 990 7.855 0.297 -5.210 571 3HD1 LEU 990 3HD1 LEU 990 7.994 -0.516 -6.770 572 1HD2 LEU 990 1HD2 LEU 990 6.730 -2.646 -7.169 573 2HD2 LEU 990 2HD2 LEU 990 5.649 -3.258 -5.916 574 3HD2 LEU 990 3HD2 LEU 990 5.251 -1.771 -6.776 575 H LEU 991 H LEU 991 7.177 -2.249 -1.788 576 HA LEU 991 HA LEU 991 5.707 0.130 -1.616 577 1HB LEU 991 HB1 LEU 991 6.235 -1.952 0.497 578 2HB LEU 991 HB2 LEU 991 4.965 -0.745 0.560 579 HG LEU 991 HG LEU 991 5.111 -2.716 -1.698 580 1HD1 LEU 991 1HD1 LEU 991 3.561 -4.133 -0.415 581 2HD1 LEU 991 2HD1 LEU 991 5.130 -4.006 0.379 582 3HD1 LEU 991 3HD1 LEU 991 3.757 -3.080 0.986 583 1HD2 LEU 991 1HD2 LEU 991 3.628 -0.788 -1.938 584 2HD2 LEU 991 2HD2 LEU 991 2.702 -2.280 -1.770 585 3HD2 LEU 991 3HD2 LEU 991 2.852 -1.178 -0.402 586 H ASN 992 H ASN 992 8.432 -1.074 0.248 587 HA ASN 992 HA ASN 992 8.590 0.913 2.174 588 1HB ASN 992 HB1 ASN 992 9.898 -1.147 2.262 589 2HB ASN 992 HB2 ASN 992 10.835 -0.632 0.864 590 1HD2 ASN 992 2HD2 ASN 992 10.349 -0.269 4.270 591 2HD2 ASN 992 1HD2 ASN 992 11.739 0.717 4.570 592 H SER 993 H SER 993 9.870 0.835 -1.112 593 HA SER 993 HA SER 993 11.461 3.176 -0.776 594 1HB SER 993 HB1 SER 993 10.552 1.850 -3.333 595 2HB SER 993 HB2 SER 993 11.873 3.002 -3.165 596 HG SER 993 HG SER 993 12.220 0.961 -1.438 597 H ASP 994 H ASP 994 8.108 2.640 -1.826 598 HA ASP 994 HA ASP 994 8.145 5.391 -2.871 599 1HB ASP 994 HB1 ASP 994 6.593 3.000 -3.710 600 2HB ASP 994 HB2 ASP 994 5.884 4.598 -3.950 601 H LEU 995 H LEU 995 6.264 3.308 -0.637 602 HA LEU 995 HA LEU 995 4.557 5.368 0.248 603 1HB LEU 995 HB1 LEU 995 4.143 3.195 1.168 604 2HB LEU 995 HB2 LEU 995 5.792 3.031 1.731 605 HG LEU 995 HG LEU 995 3.942 3.360 3.448 606 1HD1 LEU 995 1HD1 LEU 995 6.290 3.525 4.021 607 2HD1 LEU 995 2HD1 LEU 995 6.306 5.218 3.527 608 3HD1 LEU 995 3HD1 LEU 995 5.336 4.713 4.910 609 1HD2 LEU 995 1HD2 LEU 995 2.708 5.133 2.403 610 2HD2 LEU 995 2HD2 LEU 995 3.362 5.714 3.934 611 3HD2 LEU 995 3HD2 LEU 995 4.125 6.183 2.416 612 H ALA 996 H ALA 996 7.880 4.611 0.939 613 HA ALA 996 HA ALA 996 8.507 6.612 2.764 614 1HB ALA 996 HB1 ALA 996 10.813 6.464 2.031 615 2HB ALA 996 HB2 ALA 996 10.093 4.856 2.118 616 3HB ALA 996 HB3 ALA 996 10.308 5.642 0.554 617 H GLU 997 H GLU 997 8.664 6.876 -0.809 618 HA GLU 997 HA GLU 997 9.353 9.594 -0.745 619 1HB GLU 997 HB1 GLU 997 7.963 8.077 -2.944 620 2HB GLU 997 HB2 GLU 997 8.642 9.700 -3.096 621 1HG GLU 997 HG1 GLU 997 10.823 8.576 -2.252 622 2HG GLU 997 HG2 GLU 997 10.040 7.083 -2.770 623 H LEU 998 H LEU 998 6.220 8.023 -0.561 624 HA LEU 998 HA LEU 998 4.817 10.474 -1.050 625 1HB LEU 998 HB1 LEU 998 3.850 8.095 -1.243 626 2HB LEU 998 HB2 LEU 998 3.652 8.183 0.501 627 HG LEU 998 HG LEU 998 2.216 10.137 0.278 628 1HD1 LEU 998 1HD1 LEU 998 3.274 11.137 -1.661 629 2HD1 LEU 998 2HD1 LEU 998 2.694 9.819 -2.679 630 3HD1 LEU 998 3HD1 LEU 998 1.544 10.933 -1.940 631 1HD2 LEU 998 1HD2 LEU 998 0.318 9.119 -0.852 632 2HD2 LEU 998 2HD2 LEU 998 1.387 7.934 -1.600 633 3HD2 LEU 998 3HD2 LEU 998 1.165 7.940 0.150 634 H ILE 999 H ILE 999 6.210 8.877 1.704 635 HA ILE 999 HA ILE 999 5.267 10.642 3.701 636 HB ILE 999 HB ILE 999 7.939 9.234 3.520 637 1HG1 ILE 999 1HG1 ILE 999 5.408 8.575 5.046 638 2HG1 ILE 999 2HG1 ILE 999 6.011 7.725 3.627 639 1HG2 ILE 999 1HG2 ILE 999 8.176 9.671 5.910 640 2HG2 ILE 999 2HG2 ILE 999 8.098 11.174 4.992 641 3HG2 ILE 999 3HG2 ILE 999 6.686 10.615 5.891 642 1HD1 ILE 999 1HD1 ILE 999 7.986 7.031 4.885 643 2HD1 ILE 999 2HD1 ILE 999 7.370 7.871 6.308 644 3HD1 ILE 999 3HD1 ILE 999 6.496 6.487 5.653 645 H ASN1000 H ASN1000 7.640 11.019 1.177 646 HA ASN1000 HA ASN1000 8.587 13.578 2.167 647 1HB ASN1000 HB1 ASN1000 8.916 12.305 -0.569 648 2HB ASN1000 HB2 ASN1000 9.733 13.760 -0.011 649 1HD2 ASN1000 2HD2 ASN1000 10.891 11.310 -0.958 650 2HD2 ASN1000 1HD2 ASN1000 11.866 10.690 0.339 651 H LYS1001 H LYS1001 5.788 12.489 0.663 652 HA LYS1001 HA LYS1001 5.192 14.980 -0.670 653 1HB LYS1001 HB1 LYS1001 4.026 13.014 -1.493 654 2HB LYS1001 HB2 LYS1001 3.365 12.694 0.107 655 1HG LYS1001 HG1 LYS1001 2.092 14.780 0.006 656 2HG LYS1001 HG2 LYS1001 2.754 15.107 -1.595 657 1HD LYS1001 HD1 LYS1001 1.679 13.082 -2.448 658 2HD LYS1001 HD2 LYS1001 1.031 12.748 -0.841 659 1HE LYS1001 HE1 LYS1001 0.422 15.179 -2.519 660 2HE LYS1001 HE2 LYS1001 -0.642 13.791 -2.291 661 1HZ LYS1001 HZ1 LYS1001 -1.263 15.601 -0.834 662 2HZ LYS1001 HZ2 LYS1001 -0.714 14.288 0.076 663 3HZ LYS1001 HZ3 LYS1001 0.286 15.631 -0.154 664 H MET1002 H MET1002 4.275 13.392 2.355 665 HA MET1002 HA MET1002 2.754 15.552 3.359 666 1HB MET1002 HB1 MET1002 2.903 14.519 5.520 667 2HB MET1002 HB2 MET1002 2.705 13.231 4.344 668 1HG MET1002 HG1 MET1002 4.962 12.582 4.544 669 2HG MET1002 HG2 MET1002 5.376 14.047 5.430 670 1HE MET1002 HE1 MET1002 2.881 10.567 7.173 671 2HE MET1002 HE2 MET1002 2.267 11.628 5.905 672 3HE MET1002 HE3 MET1002 3.616 10.543 5.570 673 H LYS1003 H LYS1003 6.102 14.609 3.405 674 HA LYS1003 HA LYS1003 7.029 16.671 5.085 675 1HB LYS1003 HB1 LYS1003 8.333 14.660 4.673 676 2HB LYS1003 HB2 LYS1003 8.404 15.018 2.955 677 1HG LYS1003 HG1 LYS1003 9.699 17.055 3.482 678 2HG LYS1003 HG2 LYS1003 9.719 16.559 5.175 679 1HD LYS1003 HD1 LYS1003 10.880 14.501 4.566 680 2HD LYS1003 HD2 LYS1003 10.825 14.964 2.864 681 1HE LYS1003 HE1 LYS1003 12.991 15.520 3.610 682 2HE LYS1003 HE2 LYS1003 12.107 17.039 3.519 683 1HZ LYS1003 HZ1 LYS1003 12.756 15.482 5.958 684 2HZ LYS1003 HZ2 LYS1003 13.326 17.021 5.536 685 3HZ LYS1003 HZ3 LYS1003 11.698 16.809 5.954 686 H LEU1004 H LEU1004 7.359 16.298 1.530 687 HA LEU1004 HA LEU1004 8.441 18.764 1.046 688 1HB LEU1004 HB1 LEU1004 7.997 16.703 -0.520 689 2HB LEU1004 HB2 LEU1004 6.573 17.622 -0.969 690 HG LEU1004 HG LEU1004 8.268 19.564 -1.393 691 1HD1 LEU1004 1HD1 LEU1004 10.063 17.159 -1.640 692 2HD1 LEU1004 2HD1 LEU1004 10.456 18.813 -2.115 693 3HD1 LEU1004 3HD1 LEU1004 10.188 18.420 -0.415 694 1HD2 LEU1004 1HD2 LEU1004 8.483 18.934 -3.687 695 2HD2 LEU1004 2HD2 LEU1004 8.225 17.228 -3.296 696 3HD2 LEU1004 3HD2 LEU1004 6.908 18.388 -3.109 697 H ALA1005 H ALA1005 4.991 17.965 0.654 698 HA ALA1005 HA ALA1005 4.216 20.468 -0.316 699 1HB ALA1005 HB1 ALA1005 2.550 18.513 1.266 700 2HB ALA1005 HB2 ALA1005 1.940 19.808 0.234 701 3HB ALA1005 HB3 ALA1005 2.822 18.455 -0.476 702 H GLN1006 H GLN1006 4.231 19.198 2.988 703 HA GLN1006 HA GLN1006 3.230 21.641 4.108 704 1HB GLN1006 HB1 GLN1006 3.015 20.423 6.014 705 2HB GLN1006 HB2 GLN1006 3.268 19.064 4.928 706 1HG GLN1006 HG1 GLN1006 4.801 18.495 6.457 707 2HG GLN1006 HG2 GLN1006 5.811 19.607 5.534 708 1HE2 GLN1006 2HE2 GLN1006 7.100 20.245 7.194 709 2HE2 GLN1006 1HE2 GLN1006 6.542 21.155 8.555 710 H GLN1007 H GLN1007 6.306 20.384 3.203 711 HA GLN1007 HA GLN1007 7.889 21.703 5.115 712 1HB GLN1007 HB1 GLN1007 8.235 19.766 3.168 713 2HB GLN1007 HB2 GLN1007 9.201 21.118 2.605 714 1HG GLN1007 HG1 GLN1007 10.317 19.368 4.084 715 2HG GLN1007 HG2 GLN1007 10.583 21.064 4.492 716 1HE2 GLN1007 2HE2 GLN1007 8.659 18.214 5.314 717 2HE2 GLN1007 1HE2 GLN1007 8.398 18.652 6.970 718 H TYR1008 H TYR1008 7.118 22.515 1.721 719 HA TYR1008 HA TYR1008 7.935 25.259 2.430 720 1HB TYR1008 HB1 TYR1008 7.851 24.807 -0.432 721 2HB TYR1008 HB2 TYR1008 9.083 25.572 0.548 722 HD1 TYR1008 HD1 TYR1008 8.034 22.561 -1.183 723 HD2 TYR1008 HD2 TYR1008 10.949 24.235 1.444 724 HE1 TYR1008 HE1 TYR1008 9.596 20.769 -1.789 725 HE2 TYR1008 HE2 TYR1008 12.506 22.418 0.884 726 HH TYR1008 HH TYR1008 11.953 20.272 -1.742 727 H VAL1009 H VAL1009 5.276 23.988 2.667 728 HA VAL1009 HA VAL1009 3.454 24.787 0.815 729 HB VAL1009 HB VAL1009 2.740 23.712 2.852 730 1HG1 VAL1009 1HG1 VAL1009 2.590 24.934 4.984 731 2HG1 VAL1009 2HG1 VAL1009 4.256 24.726 4.444 732 3HG1 VAL1009 3HG1 VAL1009 3.455 26.285 4.252 733 1HG2 VAL1009 1HG2 VAL1009 1.081 24.999 1.629 734 2HG2 VAL1009 2HG2 VAL1009 0.757 25.064 3.362 735 3HG2 VAL1009 3HG2 VAL1009 1.498 26.444 2.551 736 H MET1010 H MET1010 2.960 26.588 -0.172 737 HA MET1010 HA MET1010 3.190 29.174 1.110 738 1HB MET1010 HB1 MET1010 5.480 28.469 0.110 739 2HB MET1010 HB2 MET1010 4.722 28.733 -1.451 740 1HG MET1010 HG1 MET1010 4.798 30.851 0.671 741 2HG MET1010 HG2 MET1010 6.109 30.621 -0.483 742 1HE MET1010 HE1 MET1010 5.840 33.163 -1.218 743 2HE MET1010 HE2 MET1010 4.312 33.870 -1.746 744 3HE MET1010 HE3 MET1010 4.517 33.357 -0.072 745 H THR1011 H THR1011 2.007 30.790 -0.059 746 HA THR1011 HA THR1011 -0.339 29.770 -1.204 747 HB THR1011 HB THR1011 -0.261 31.887 0.026 748 HG1 THR1011 HG1 THR1011 -1.241 31.928 -2.646 749 1HG2 THR1011 1HG2 THR1011 0.549 33.932 -1.063 750 2HG2 THR1011 2HG2 THR1011 1.853 32.769 -0.821 751 3HG2 THR1011 3HG2 THR1011 1.138 32.971 -2.420 752 H SER1012 H SER1012 2.631 30.188 -2.734 753 HA SER1012 HA SER1012 1.291 29.933 -5.330 754 1HB SER1012 HB1 SER1012 2.118 32.234 -5.182 755 2HB SER1012 HB2 SER1012 3.731 31.642 -4.792 756 HG SER1012 HG SER1012 2.390 30.909 -7.175 757 H LEU1013 H LEU1013 4.331 29.498 -3.533 758 HA LEU1013 HA LEU1013 5.518 27.897 -5.564 759 1HB LEU1013 HB1 LEU1013 6.278 28.441 -2.705 760 2HB LEU1013 HB2 LEU1013 7.208 27.371 -3.736 761 HG LEU1013 HG LEU1013 7.492 29.326 -5.320 762 1HD1 LEU1013 1HD1 LEU1013 5.660 30.713 -4.509 763 2HD1 LEU1013 2HD1 LEU1013 6.468 30.880 -2.950 764 3HD1 LEU1013 3HD1 LEU1013 7.202 31.563 -4.400 765 1HD2 LEU1013 1HD2 LEU1013 8.632 29.532 -2.540 766 2HD2 LEU1013 2HD2 LEU1013 9.283 28.586 -3.878 767 3HD2 LEU1013 3HD2 LEU1013 9.269 30.347 -3.968 768 H GLN1014 H GLN1014 3.327 27.167 -3.033 769 HA GLN1014 HA GLN1014 4.186 24.652 -2.187 770 1HB GLN1014 HB1 GLN1014 2.296 26.136 -1.261 771 2HB GLN1014 HB2 GLN1014 1.281 25.378 -2.474 772 1HG GLN1014 HG1 GLN1014 2.811 23.705 -0.529 773 2HG GLN1014 HG2 GLN1014 1.280 24.452 -0.074 774 1HE2 GLN1014 2HE2 GLN1014 2.850 22.069 -1.988 775 2HE2 GLN1014 1HE2 GLN1014 1.421 21.301 -2.590 776 H GLN1015 H GLN1015 2.277 25.538 -5.017 777 HA GLN1015 HA GLN1015 0.905 23.170 -5.398 778 1HB GLN1015 HB1 GLN1015 1.886 25.047 -7.514 779 2HB GLN1015 HB2 GLN1015 0.575 23.897 -7.702 780 1HG GLN1015 HG1 GLN1015 0.632 26.289 -5.874 781 2HG GLN1015 HG2 GLN1015 -0.310 26.112 -7.353 782 1HE2 GLN1015 2HE2 GLN1015 -2.112 24.791 -7.359 783 2HE2 GLN1015 1HE2 GLN1015 -2.861 24.235 -5.897 784 H GLU1016 H GLU1016 4.081 24.033 -6.822 785 HA GLU1016 HA GLU1016 4.765 21.811 -8.179 786 1HB GLU1016 HB1 GLU1016 6.499 23.351 -7.952 787 2HB GLU1016 HB2 GLU1016 6.350 23.410 -6.201 788 1HG GLU1016 HG1 GLU1016 8.270 22.194 -6.382 789 2HG GLU1016 HG2 GLU1016 7.090 20.904 -6.361 790 H TYR1017 H TYR1017 4.901 22.047 -4.652 791 HA TYR1017 HA TYR1017 6.001 19.455 -4.260 792 1HB TYR1017 HB1 TYR1017 4.527 21.066 -2.171 793 2HB TYR1017 HB2 TYR1017 5.923 20.000 -1.958 794 HD1 TYR1017 HD1 TYR1017 7.734 20.827 -4.025 795 HD2 TYR1017 HD2 TYR1017 5.224 23.223 -1.570 796 HE1 TYR1017 HE1 TYR1017 9.204 22.734 -4.425 797 HE2 TYR1017 HE2 TYR1017 6.685 25.164 -1.971 798 HH TYR1017 HH TYR1017 8.855 25.368 -4.404 799 H LYS1018 H LYS1018 2.895 20.770 -4.636 800 HA LYS1018 HA LYS1018 1.389 18.514 -3.679 801 1HB LYS1018 HB1 LYS1018 0.622 20.915 -3.726 802 2HB LYS1018 HB2 LYS1018 0.530 20.789 -5.471 803 1HG LYS1018 HG1 LYS1018 -1.215 19.129 -5.298 804 2HG LYS1018 HG2 LYS1018 -1.075 19.137 -3.534 805 1HD LYS1018 HD1 LYS1018 -1.643 21.546 -3.542 806 2HD LYS1018 HD2 LYS1018 -1.881 21.456 -5.287 807 1HE LYS1018 HE1 LYS1018 -3.703 19.899 -4.994 808 2HE LYS1018 HE2 LYS1018 -3.417 19.847 -3.252 809 1HZ LYS1018 HZ1 LYS1018 -3.901 22.266 -3.210 810 2HZ LYS1018 HZ2 LYS1018 -4.335 22.183 -4.843 811 3HZ LYS1018 HZ3 LYS1018 -5.228 21.324 -3.689 812 H LYS1019 H LYS1019 2.538 19.769 -6.778 813 HA LYS1019 HA LYS1019 1.017 17.902 -8.379 814 1HB LYS1019 HB1 LYS1019 1.476 20.106 -9.253 815 2HB LYS1019 HB2 LYS1019 3.207 19.875 -9.044 816 1HG LYS1019 HG1 LYS1019 3.025 17.982 -10.708 817 2HG LYS1019 HG2 LYS1019 1.388 18.559 -11.039 818 1HD LYS1019 HD1 LYS1019 2.259 20.732 -11.680 819 2HD LYS1019 HD2 LYS1019 3.897 20.220 -11.273 820 1HE LYS1019 HE1 LYS1019 3.707 18.445 -13.005 821 2HE LYS1019 HE2 LYS1019 2.142 19.116 -13.462 822 1HZ LYS1019 HZ1 LYS1019 3.789 19.987 -14.926 823 2HZ LYS1019 HZ2 LYS1019 3.303 21.246 -13.899 824 3HZ LYS1019 HZ3 LYS1019 4.783 20.461 -13.633 825 H GLN1020 H GLN1020 4.168 18.047 -7.018 826 HA GLN1020 HA GLN1020 5.308 16.164 -8.936 827 1HB GLN1020 HB1 GLN1020 6.681 18.054 -8.073 828 2HB GLN1020 HB2 GLN1020 6.586 17.349 -6.465 829 1HG GLN1020 HG1 GLN1020 7.711 15.330 -7.310 830 2HG GLN1020 HG2 GLN1020 7.861 16.099 -8.887 831 1HE2 GLN1020 2HE2 GLN1020 8.398 18.735 -7.748 832 2HE2 GLN1020 1HE2 GLN1020 10.020 18.664 -7.147 833 H MET1021 H MET1021 4.544 16.378 -5.511 834 HA MET1021 HA MET1021 5.207 13.649 -5.007 835 1HB MET1021 HB1 MET1021 3.749 15.712 -3.375 836 2HB MET1021 HB2 MET1021 4.128 14.097 -2.796 837 1HG MET1021 HG1 MET1021 6.161 16.124 -3.700 838 2HG MET1021 HG2 MET1021 5.717 15.816 -2.025 839 1HE MET1021 HE1 MET1021 8.011 14.887 -4.938 840 2HE MET1021 HE2 MET1021 8.341 13.168 -4.719 841 3HE MET1021 HE3 MET1021 6.748 13.699 -5.256 842 H LEU1022 H LEU1022 2.431 15.286 -6.211 843 HA LEU1022 HA LEU1022 0.467 13.336 -5.647 844 1HB LEU1022 HB1 LEU1022 -0.050 15.563 -6.587 845 2HB LEU1022 HB2 LEU1022 0.743 15.105 -8.081 846 HG LEU1022 HG LEU1022 -0.958 13.351 -8.435 847 1HD1 LEU1022 1HD1 LEU1022 -2.249 14.539 -5.985 848 2HD1 LEU1022 2HD1 LEU1022 -2.976 13.342 -7.055 849 3HD1 LEU1022 3HD1 LEU1022 -1.545 12.929 -6.113 850 1HD2 LEU1022 1HD2 LEU1022 -1.232 15.565 -9.432 851 2HD2 LEU1022 2HD2 LEU1022 -2.789 14.855 -9.009 852 3HD2 LEU1022 3HD2 LEU1022 -2.089 16.113 -7.990 853 H THR1023 H THR1023 2.760 13.729 -8.321 854 HA THR1023 HA THR1023 2.131 11.402 -9.752 855 HB THR1023 HB THR1023 4.883 12.631 -9.484 856 HG1 THR1023 HG1 THR1023 4.003 14.347 -10.362 857 1HG2 THR1023 1HG2 THR1023 5.184 11.822 -11.776 858 2HG2 THR1023 2HG2 THR1023 4.794 10.491 -10.688 859 3HG2 THR1023 3HG2 THR1023 3.554 11.145 -11.759 860 H ALA1024 H ALA1024 3.926 11.932 -6.833 861 HA ALA1024 HA ALA1024 5.214 9.348 -6.797 862 1HB ALA1024 HB1 ALA1024 5.921 9.960 -4.535 863 2HB ALA1024 HB2 ALA1024 6.265 11.249 -5.689 864 3HB ALA1024 HB3 ALA1024 4.885 11.387 -4.597 865 H ALA1025 H ALA1025 2.275 10.772 -5.549 866 HA ALA1025 HA ALA1025 1.553 8.676 -3.780 867 1HB ALA1025 HB1 ALA1025 -0.700 9.634 -3.870 868 2HB ALA1025 HB2 ALA1025 0.520 10.894 -3.667 869 3HB ALA1025 HB3 ALA1025 -0.225 10.632 -5.244 870 H HIS1026 H HIS1026 0.855 9.338 -7.182 871 HA HIS1026 HA HIS1026 -0.785 7.147 -7.720 872 1HB HIS1026 HB1 HIS1026 -0.466 8.922 -9.351 873 2HB HIS1026 HB2 HIS1026 1.240 8.523 -9.505 874 HD1 HIS1026 HD1 HIS1026 1.591 7.491 -11.719 875 HD2 HIS1026 HD2 HIS1026 -1.942 6.178 -9.960 876 HE1 HIS1026 HE1 HIS1026 0.597 5.838 -13.332 877 HE2 HIS1026 HE2 HIS1026 -1.635 5.216 -12.345 878 H ALA1027 H ALA1027 2.707 7.426 -7.535 879 HA ALA1027 HA ALA1027 3.331 4.867 -8.534 880 1HB ALA1027 HB1 ALA1027 5.529 5.225 -7.563 881 2HB ALA1027 HB2 ALA1027 4.966 6.680 -8.384 882 3HB ALA1027 HB3 ALA1027 4.908 6.583 -6.624 883 H LEU1028 H LEU1028 2.888 6.051 -5.186 884 HA LEU1028 HA LEU1028 3.502 3.498 -4.063 885 1HB LEU1028 HB1 LEU1028 3.823 4.871 -2.336 886 2HB LEU1028 HB2 LEU1028 2.833 6.138 -3.008 887 HG LEU1028 HG LEU1028 1.607 3.752 -1.626 888 1HD1 LEU1028 1HD1 LEU1028 3.220 4.733 -0.085 889 2HD1 LEU1028 2HD1 LEU1028 2.497 6.322 -0.337 890 3HD1 LEU1028 3HD1 LEU1028 1.563 5.041 0.433 891 1HD2 LEU1028 1HD2 LEU1028 0.655 6.591 -2.035 892 2HD2 LEU1028 2HD2 LEU1028 0.092 5.173 -2.921 893 3HD2 LEU1028 3HD2 LEU1028 -0.227 5.318 -1.192 894 H ALA1029 H ALA1029 0.578 5.092 -5.111 895 HA ALA1029 HA ALA1029 -1.299 3.241 -4.225 896 1HB ALA1029 HB1 ALA1029 -2.709 3.964 -6.072 897 2HB ALA1029 HB2 ALA1029 -1.903 5.346 -5.329 898 3HB ALA1029 HB3 ALA1029 -1.317 4.704 -6.864 899 H VAL1030 H VAL1030 0.692 3.170 -7.191 900 HA VAL1030 HA VAL1030 -0.191 0.644 -8.070 901 HB VAL1030 HB VAL1030 2.488 1.952 -8.582 902 1HG1 VAL1030 1HG1 VAL1030 1.000 -0.171 -10.125 903 2HG1 VAL1030 2HG1 VAL1030 2.518 0.584 -10.610 904 3HG1 VAL1030 3HG1 VAL1030 2.456 -0.420 -9.160 905 1HG2 VAL1030 1HG2 VAL1030 1.465 2.797 -10.643 906 2HG2 VAL1030 2HG2 VAL1030 -0.088 2.128 -10.143 907 3HG2 VAL1030 3HG2 VAL1030 0.654 3.426 -9.207 908 H ASP1031 H ASP1031 2.266 1.623 -5.806 909 HA ASP1031 HA ASP1031 3.568 -0.811 -5.359 910 1HB ASP1031 HB1 ASP1031 2.868 1.464 -3.511 911 2HB ASP1031 HB2 ASP1031 3.719 0.041 -2.927 912 H ALA1032 H ALA1032 0.618 0.495 -3.873 913 HA ALA1032 HA ALA1032 -0.083 -1.719 -2.321 914 1HB ALA1032 HB1 ALA1032 -1.178 0.461 -2.135 915 2HB ALA1032 HB2 ALA1032 -1.911 0.230 -3.724 916 3HB ALA1032 HB3 ALA1032 -2.353 -0.830 -2.384 917 H LYS1033 H LYS1033 -1.092 -0.863 -5.639 918 HA LYS1033 HA LYS1033 -2.775 -3.011 -6.114 919 1HB LYS1033 HB1 LYS1033 -2.532 -1.020 -7.566 920 2HB LYS1033 HB2 LYS1033 -0.981 -1.634 -8.117 921 1HG LYS1033 HG1 LYS1033 -2.160 -3.648 -8.985 922 2HG LYS1033 HG2 LYS1033 -3.689 -2.871 -8.566 923 1HD LYS1033 HD1 LYS1033 -3.246 -2.486 -10.896 924 2HD LYS1033 HD2 LYS1033 -3.048 -0.962 -10.028 925 1HE LYS1033 HE1 LYS1033 -1.245 -1.176 -11.590 926 2HE LYS1033 HE2 LYS1033 -0.598 -1.391 -9.965 927 1HZ LYS1033 HZ1 LYS1033 -0.765 -3.835 -10.354 928 2HZ LYS1033 HZ2 LYS1033 -1.167 -3.509 -11.967 929 3HZ LYS1033 HZ3 LYS1033 0.350 -3.045 -11.365 930 H ASN1034 H ASN1034 0.734 -2.797 -6.583 931 HA ASN1034 HA ASN1034 1.046 -5.287 -7.871 932 1HB ASN1034 HB1 ASN1034 2.785 -3.543 -7.891 933 2HB ASN1034 HB2 ASN1034 3.043 -3.786 -6.164 934 1HD2 ASN1034 2HD2 ASN1034 5.146 -4.405 -6.353 935 2HD2 ASN1034 1HD2 ASN1034 5.638 -5.896 -7.059 936 H LEU1035 H LEU1035 1.285 -4.380 -4.435 937 HA LEU1035 HA LEU1035 2.073 -7.055 -3.632 938 1HB LEU1035 HB1 LEU1035 2.816 -5.161 -2.279 939 2HB LEU1035 HB2 LEU1035 1.152 -4.664 -2.001 940 HG LEU1035 HG LEU1035 0.927 -7.051 -0.933 941 1HD1 LEU1035 1HD1 LEU1035 2.978 -7.783 0.164 942 2HD1 LEU1035 2HD1 LEU1035 3.126 -7.842 -1.593 943 3HD1 LEU1035 3HD1 LEU1035 3.883 -6.532 -0.686 944 1HD2 LEU1035 1HD2 LEU1035 0.608 -4.986 0.279 945 2HD2 LEU1035 2HD2 LEU1035 1.566 -6.113 1.238 946 3HD2 LEU1035 3HD2 LEU1035 2.353 -4.767 0.413 947 H LEU1036 H LEU1036 -0.848 -5.238 -3.998 948 HA LEU1036 HA LEU1036 -2.687 -6.684 -2.507 949 1HB LEU1036 HB1 LEU1036 -3.303 -4.592 -3.453 950 2HB LEU1036 HB2 LEU1036 -2.900 -5.119 -5.071 951 HG LEU1036 HG LEU1036 -5.105 -6.566 -3.702 952 1HD1 LEU1036 1HD1 LEU1036 -6.708 -4.818 -4.325 953 2HD1 LEU1036 2HD1 LEU1036 -5.566 -4.243 -3.111 954 3HD1 LEU1036 3HD1 LEU1036 -5.375 -3.765 -4.798 955 1HD2 LEU1036 1HD2 LEU1036 -4.686 -5.506 -6.501 956 2HD2 LEU1036 2HD2 LEU1036 -4.396 -7.162 -5.968 957 3HD2 LEU1036 3HD2 LEU1036 -6.035 -6.511 -5.970 958 H ASP1037 H ASP1037 -1.269 -7.322 -5.621 959 HA ASP1037 HA ASP1037 -3.007 -9.632 -6.049 960 1HB ASP1037 HB1 ASP1037 -2.545 -8.126 -7.970 961 2HB ASP1037 HB2 ASP1037 -0.826 -8.469 -7.806 962 H VAL1038 H VAL1038 0.214 -8.625 -5.374 963 HA VAL1038 HA VAL1038 1.665 -10.979 -5.445 964 HB VAL1038 HB VAL1038 1.794 -8.377 -4.053 965 1HG1 VAL1038 1HG1 VAL1038 2.389 -9.976 -2.256 966 2HG1 VAL1038 2HG1 VAL1038 3.716 -10.541 -3.269 967 3HG1 VAL1038 3HG1 VAL1038 3.693 -8.876 -2.703 968 1HG2 VAL1038 1HG2 VAL1038 4.010 -8.295 -5.116 969 2HG2 VAL1038 2HG2 VAL1038 3.739 -9.921 -5.742 970 3HG2 VAL1038 3HG2 VAL1038 2.704 -8.591 -6.263 971 H ILE1039 H ILE1039 -0.307 -9.627 -2.851 972 HA ILE1039 HA ILE1039 0.402 -11.809 -1.088 973 HB ILE1039 HB ILE1039 0.409 -9.306 -0.481 974 1HG1 ILE1039 1HG1 ILE1039 -1.002 -11.293 1.295 975 2HG1 ILE1039 2HG1 ILE1039 0.744 -11.077 1.156 976 1HG2 ILE1039 1HG2 ILE1039 -1.816 -8.797 -1.316 977 2HG2 ILE1039 2HG2 ILE1039 -2.505 -9.906 -0.128 978 3HG2 ILE1039 3HG2 ILE1039 -1.670 -8.451 0.407 979 1HD1 ILE1039 1HD1 ILE1039 -1.210 -9.013 2.138 980 2HD1 ILE1039 2HD1 ILE1039 -0.144 -9.999 3.148 981 3HD1 ILE1039 3HD1 ILE1039 0.542 -8.819 2.029 982 H ASP1040 H ASP1040 -2.497 -10.441 -2.678 983 HA ASP1040 HA ASP1040 -4.273 -12.451 -1.950 984 1HB ASP1040 HB1 ASP1040 -5.110 -10.768 -3.425 985 2HB ASP1040 HB2 ASP1040 -3.894 -11.138 -4.647 986 H GLN1041 H GLN1041 -1.702 -12.505 -4.369 987 HA GLN1041 HA GLN1041 -2.041 -15.255 -5.039 988 1HB GLN1041 HB1 GLN1041 0.268 -13.366 -5.385 989 2HB GLN1041 HB2 GLN1041 0.378 -15.069 -5.805 990 1HG GLN1041 HG1 GLN1041 -1.655 -13.173 -6.964 991 2HG GLN1041 HG2 GLN1041 -0.109 -13.556 -7.718 992 1HE2 GLN1041 2HE2 GLN1041 0.251 -15.630 -8.511 993 2HE2 GLN1041 1HE2 GLN1041 -1.060 -16.704 -8.872 994 H ALA1042 H ALA1042 -0.111 -13.489 -2.616 995 HA ALA1042 HA ALA1042 1.286 -15.537 -1.523 996 1HB ALA1042 HB1 ALA1042 -0.222 -13.403 -0.034 997 2HB ALA1042 HB2 ALA1042 1.080 -14.391 0.629 998 3HB ALA1042 HB3 ALA1042 1.409 -13.266 -0.689 999 H ARG1043 H ARG1043 -1.994 -14.587 -0.540 1000 HA ARG1043 HA ARG1043 -2.528 -16.787 1.064 1001 1HB ARG1043 HB1 ARG1043 -3.894 -14.601 0.603 1002 2HB ARG1043 HB2 ARG1043 -4.714 -15.596 -0.593 1003 1HG ARG1043 HG1 ARG1043 -5.945 -15.596 1.488 1004 2HG ARG1043 HG2 ARG1043 -5.302 -17.207 1.160 1005 1HD ARG1043 HD1 ARG1043 -3.497 -16.848 2.730 1006 2HD ARG1043 HD2 ARG1043 -4.010 -15.180 2.985 1007 HE ARG1043 HE ARG1043 -5.975 -17.237 3.608 1008 1HH1 ARG1043 2HH1 ARG1043 -3.438 -15.143 4.844 1009 2HH1 ARG1043 1HH1 ARG1043 -4.043 -15.144 6.473 1010 1HH2 ARG1043 2HH2 ARG1043 -6.781 -17.224 5.758 1011 2HH2 ARG1043 1HH2 ARG1043 -5.952 -16.307 6.983 1012 H LEU1044 H LEU1044 -2.826 -16.465 -2.453 1013 HA LEU1044 HA LEU1044 -3.908 -19.062 -2.876 1014 1HB LEU1044 HB1 LEU1044 -3.994 -17.383 -4.631 1015 2HB LEU1044 HB2 LEU1044 -2.241 -17.352 -4.720 1016 HG LEU1044 HG LEU1044 -2.280 -19.736 -5.447 1017 1HD1 LEU1044 1HD1 LEU1044 -5.258 -19.304 -5.593 1018 2HD1 LEU1044 2HD1 LEU1044 -4.384 -20.709 -6.202 1019 3HD1 LEU1044 3HD1 LEU1044 -4.420 -20.374 -4.469 1020 1HD2 LEU1044 1HD2 LEU1044 -2.101 -17.954 -7.083 1021 2HD2 LEU1044 2HD2 LEU1044 -3.072 -19.283 -7.717 1022 3HD2 LEU1044 3HD2 LEU1044 -3.858 -17.813 -7.143 1023 H LYS1045 H LYS1045 -0.573 -17.832 -2.827 1024 HA LYS1045 HA LYS1045 0.894 -20.095 -3.382 1025 1HB LYS1045 HB1 LYS1045 1.385 -17.972 -1.286 1026 2HB LYS1045 HB2 LYS1045 2.564 -19.188 -1.723 1027 1HG LYS1045 HG1 LYS1045 1.500 -16.969 -3.426 1028 2HG LYS1045 HG2 LYS1045 3.147 -17.198 -2.826 1029 1HD LYS1045 HD1 LYS1045 3.330 -19.250 -4.182 1030 2HD LYS1045 HD2 LYS1045 1.707 -18.964 -4.812 1031 1HE LYS1045 HE1 LYS1045 4.106 -17.180 -5.170 1032 2HE LYS1045 HE2 LYS1045 3.391 -18.222 -6.398 1033 1HZ LYS1045 HZ1 LYS1045 1.306 -16.883 -6.068 1034 2HZ LYS1045 HZ2 LYS1045 2.236 -15.789 -5.165 1035 3HZ LYS1045 HZ3 LYS1045 2.593 -16.061 -6.799 1036 H MET1046 H MET1046 -0.759 -19.151 -0.491 1037 HA MET1046 HA MET1046 0.236 -21.240 1.177 1038 1HB MET1046 HB1 MET1046 -0.749 -19.123 2.002 1039 2HB MET1046 HB2 MET1046 -2.317 -19.658 1.425 1040 1HG MET1046 HG1 MET1046 -2.255 -21.539 2.971 1041 2HG MET1046 HG2 MET1046 -0.654 -21.029 3.514 1042 1HE MET1046 HE1 MET1046 -1.614 -21.121 6.032 1043 2HE MET1046 HE2 MET1046 -3.048 -20.235 6.553 1044 3HE MET1046 HE3 MET1046 -3.202 -21.572 5.413 1045 H ILE1047 H ILE1047 -2.615 -20.854 -0.846 1046 HA ILE1047 HA ILE1047 -3.793 -23.376 -0.306 1047 HB ILE1047 HB ILE1047 -4.000 -21.747 -2.847 1048 1HG1 ILE1047 1HG1 ILE1047 -4.597 -20.393 -0.894 1049 2HG1 ILE1047 2HG1 ILE1047 -6.023 -20.763 -1.858 1050 1HG2 ILE1047 1HG2 ILE1047 -5.838 -23.832 -1.679 1051 2HG2 ILE1047 2HG2 ILE1047 -6.150 -22.882 -3.132 1052 3HG2 ILE1047 3HG2 ILE1047 -4.809 -24.027 -3.097 1053 1HD1 ILE1047 1HD1 ILE1047 -5.213 -22.154 0.686 1054 2HD1 ILE1047 2HD1 ILE1047 -6.477 -20.935 0.528 1055 3HD1 ILE1047 3HD1 ILE1047 -6.653 -22.498 -0.270 1056 H SER1048 H SER1048 -1.398 -22.201 -2.583 1057 HA SER1048 HA SER1048 -1.073 -24.402 -4.231 1058 1HB SER1048 HB1 SER1048 0.967 -22.381 -3.240 1059 2HB SER1048 HB2 SER1048 1.251 -23.512 -4.568 1060 HG SER1048 HG SER1048 -0.636 -22.556 -5.585 1061 H GLN1049 H GLN1049 0.681 -23.665 -1.204 1062 HA GLN1049 HA GLN1049 2.141 -26.084 -1.170 1063 1HB GLN1049 HB1 GLN1049 1.414 -24.167 1.041 1064 2HB GLN1049 HB2 GLN1049 2.475 -25.549 1.274 1065 1HG GLN1049 HG1 GLN1049 2.951 -23.242 -0.601 1066 2HG GLN1049 HG2 GLN1049 3.751 -23.514 0.948 1067 1HE2 GLN1049 2HE2 GLN1049 5.272 -25.172 1.125 1068 2HE2 GLN1049 1HE2 GLN1049 6.008 -25.889 -0.264 1069 H SER1050 H SER1050 -1.048 -25.243 -0.060 1070 HA SER1050 HA SER1050 -1.401 -27.654 1.474 1071 1HB SER1050 HB1 SER1050 -3.472 -25.669 0.504 1072 2HB SER1050 HB2 SER1050 -3.701 -26.889 1.757 1073 HG SER1050 HG SER1050 -2.105 -24.553 1.820 1074 H ARG1051 H ARG1051 -1.482 -26.831 -1.773 1075 HA ARG1051 HA ARG1051 -2.014 -27.881 -3.691 1076 1HB ARG1051 HB1 ARG1051 -0.978 -29.872 -2.665 1077 2HB ARG1051 HB2 ARG1051 -2.532 -30.314 -1.971 1078 1HG ARG1051 HG1 ARG1051 -2.136 -31.625 -3.948 1079 2HG ARG1051 HG2 ARG1051 -3.462 -30.501 -4.252 1080 1HD ARG1051 HD1 ARG1051 -1.719 -28.947 -5.246 1081 2HD ARG1051 HD2 ARG1051 -0.616 -30.320 -5.197 1082 HE ARG1051 HE ARG1051 -3.169 -30.651 -6.596 1083 1HH1 ARG1051 2HH1 ARG1051 0.311 -30.326 -6.725 1084 2HH1 ARG1051 1HH1 ARG1051 0.420 -30.747 -8.406 1085 1HH2 ARG1051 2HH2 ARG1051 -3.063 -31.178 -8.787 1086 2HH2 ARG1051 1HH2 ARG1051 -1.517 -31.236 -9.590 1087 HA PRO1052 HA PRO1052 -6.459 -27.214 -3.442 1088 1HB PRO1052 HB1 PRO1052 -6.300 -26.290 -6.167 1089 2HB PRO1052 HB2 PRO1052 -6.608 -25.347 -4.708 1090 1HG PRO1052 HG1 PRO1052 -4.331 -25.151 -6.240 1091 2HG PRO1052 HG2 PRO1052 -4.437 -24.689 -4.534 1092 1HD PRO1052 HD1 PRO1052 -3.311 -27.164 -5.765 1093 2HD PRO1052 HD2 PRO1052 -2.752 -26.250 -4.348 1094 H HIS1053 H HIS1053 -5.735 -27.705 -6.835 1095 HA HIS1053 HA HIS1053 -6.570 -30.507 -6.683 1096 1HB HIS1053 HB1 HIS1053 -7.691 -28.426 -8.567 1097 2HB HIS1053 HB2 HIS1053 -7.831 -30.156 -8.859 1098 HD1 HIS1053 HD1 HIS1053 -9.977 -27.710 -7.953 1099 HD2 HIS1053 HD2 HIS1053 -8.847 -31.197 -5.996 1100 HE1 HIS1053 HE1 HIS1053 -11.844 -28.220 -6.343 1101 HE2 HIS1053 HE2 HIS1053 -11.054 -30.235 -5.051 Start of MODEL 9 1 1H ARG 920 H ARG 920 -7.795 -20.044 -2.513 2 HA ARG 920 HA ARG 920 -8.862 -19.654 0.110 3 1HB ARG 920 HB1 ARG 920 -6.456 -19.630 -0.349 4 2HB ARG 920 HB2 ARG 920 -6.654 -18.212 -1.364 5 1HG ARG 920 HG1 ARG 920 -5.867 -17.355 0.620 6 2HG ARG 920 HG2 ARG 920 -7.619 -17.101 0.745 7 1HD ARG 920 HD1 ARG 920 -7.346 -19.586 1.819 8 2HD ARG 920 HD2 ARG 920 -5.811 -18.853 2.276 9 HE ARG 920 HE ARG 920 -8.437 -17.701 2.985 10 1HH1 ARG 920 2HH1 ARG 920 -5.068 -18.342 3.717 11 2HH1 ARG 920 1HH1 ARG 920 -5.197 -17.824 5.372 12 1HH2 ARG 920 2HH2 ARG 920 -8.607 -17.033 5.173 13 2HH2 ARG 920 1HH2 ARG 920 -7.205 -17.112 6.207 14 H SER 921 H SER 921 -10.286 -18.155 0.782 15 HA SER 921 HA SER 921 -11.128 -15.992 -0.854 16 1HB SER 921 HB1 SER 921 -12.481 -16.906 1.046 17 2HB SER 921 HB2 SER 921 -11.289 -16.249 2.166 18 HG SER 921 HG SER 921 -12.375 -14.460 2.060 19 H ASN 922 H ASN 922 -10.340 -13.880 -0.863 20 HA ASN 922 HA ASN 922 -7.601 -13.657 -0.382 21 1HB ASN 922 HB1 ASN 922 -9.022 -11.165 -0.931 22 2HB ASN 922 HB2 ASN 922 -7.678 -11.905 -1.796 23 1HD2 ASN 922 2HD2 ASN 922 -8.071 -13.517 -3.267 24 2HD2 ASN 922 1HD2 ASN 922 -9.618 -13.725 -4.024 25 H ASP 923 H ASP 923 -7.826 -14.106 1.859 26 HA ASP 923 HA ASP 923 -9.156 -12.740 3.796 27 1HB ASP 923 HB1 ASP 923 -7.774 -14.901 3.892 28 2HB ASP 923 HB2 ASP 923 -6.384 -13.853 4.187 29 H LYS 924 H LYS 924 -7.578 -11.770 5.668 30 HA LYS 924 HA LYS 924 -7.491 -9.093 5.359 31 1HB LYS 924 HB1 LYS 924 -6.788 -10.842 7.335 32 2HB LYS 924 HB2 LYS 924 -5.238 -10.105 6.963 33 1HG LYS 924 HG1 LYS 924 -7.680 -8.456 7.539 34 2HG LYS 924 HG2 LYS 924 -6.626 -9.053 8.820 35 1HD LYS 924 HD1 LYS 924 -4.731 -7.903 7.800 36 2HD LYS 924 HD2 LYS 924 -5.775 -7.323 6.503 37 1HE LYS 924 HE1 LYS 924 -5.393 -5.589 8.167 38 2HE LYS 924 HE2 LYS 924 -7.094 -6.057 8.124 39 1HZ LYS 924 HZ1 LYS 924 -6.317 -5.805 10.383 40 2HZ LYS 924 HZ2 LYS 924 -6.714 -7.428 10.090 41 3HZ LYS 924 HZ3 LYS 924 -5.086 -6.945 10.125 42 H VAL 925 H VAL 925 -5.229 -11.273 3.962 43 HA VAL 925 HA VAL 925 -3.058 -9.596 3.453 44 HB VAL 925 HB VAL 925 -2.715 -11.173 1.448 45 1HG1 VAL 925 1HG1 VAL 925 -2.006 -13.013 2.913 46 2HG1 VAL 925 2HG1 VAL 925 -1.568 -11.445 3.590 47 3HG1 VAL 925 3HG1 VAL 925 -2.953 -12.327 4.232 48 1HG2 VAL 925 1HG2 VAL 925 -4.959 -11.924 1.090 49 2HG2 VAL 925 2HG2 VAL 925 -3.991 -13.300 1.611 50 3HG2 VAL 925 3HG2 VAL 925 -5.081 -12.510 2.750 51 H TYR 926 H TYR 926 -5.870 -10.400 1.237 52 HA TYR 926 HA TYR 926 -4.901 -8.339 -0.616 53 1HB TYR 926 HB1 TYR 926 -5.941 -10.165 -1.683 54 2HB TYR 926 HB2 TYR 926 -7.262 -10.230 -0.524 55 HD1 TYR 926 HD1 TYR 926 -5.905 -8.366 -3.416 56 HD2 TYR 926 HD2 TYR 926 -9.245 -8.967 -0.841 57 HE1 TYR 926 HE1 TYR 926 -7.315 -7.058 -4.950 58 HE2 TYR 926 HE2 TYR 926 -10.660 -7.664 -2.369 59 HH TYR 926 HH TYR 926 -10.352 -5.883 -4.089 60 H GLU 927 H GLU 927 -7.179 -8.762 1.932 61 HA GLU 927 HA GLU 927 -8.973 -6.695 1.433 62 1HB GLU 927 HB1 GLU 927 -8.118 -8.104 3.950 63 2HB GLU 927 HB2 GLU 927 -9.432 -6.944 3.915 64 1HG GLU 927 HG1 GLU 927 -9.300 -9.433 2.238 65 2HG GLU 927 HG2 GLU 927 -10.176 -9.292 3.756 66 H ASN 928 H ASN 928 -6.221 -6.682 3.750 67 HA ASN 928 HA ASN 928 -6.700 -3.924 4.329 68 1HB ASN 928 HB1 ASN 928 -5.692 -5.591 5.941 69 2HB ASN 928 HB2 ASN 928 -4.193 -5.433 5.030 70 1HD2 ASN 928 2HD2 ASN 928 -3.075 -3.463 5.080 71 2HD2 ASN 928 1HD2 ASN 928 -3.382 -2.272 6.290 72 H VAL 929 H VAL 929 -4.433 -5.635 2.210 73 HA VAL 929 HA VAL 929 -2.847 -3.391 1.627 74 HB VAL 929 HB VAL 929 -2.208 -5.674 0.959 75 1HG1 VAL 929 1HG1 VAL 929 -3.124 -6.654 -1.081 76 2HG1 VAL 929 2HG1 VAL 929 -4.337 -6.501 0.191 77 3HG1 VAL 929 3HG1 VAL 929 -4.319 -5.360 -1.154 78 1HG2 VAL 929 1HG2 VAL 929 -1.282 -5.077 -1.249 79 2HG2 VAL 929 2HG2 VAL 929 -2.328 -3.657 -1.273 80 3HG2 VAL 929 3HG2 VAL 929 -1.071 -3.804 -0.045 81 H THR 930 H THR 930 -5.907 -4.490 0.170 82 HA THR 930 HA THR 930 -6.163 -2.327 -1.632 83 HB THR 930 HB THR 930 -8.400 -3.807 -0.227 84 HG1 THR 930 HG1 THR 930 -7.086 -5.305 -1.294 85 1HG2 THR 930 1HG2 THR 930 -8.329 -2.329 -2.863 86 2HG2 THR 930 2HG2 THR 930 -9.706 -3.226 -2.221 87 3HG2 THR 930 3HG2 THR 930 -9.131 -1.780 -1.390 88 H GLY 931 H GLY 931 -6.961 -2.771 1.745 89 1HA GLY 931 HA1 GLY 931 -8.203 -0.347 2.330 90 2HA GLY 931 HA2 GLY 931 -7.199 -1.244 3.461 91 H LEU 932 H LEU 932 -4.785 -1.035 1.846 92 HA LEU 932 HA LEU 932 -3.759 1.457 2.659 93 1HB LEU 932 HB1 LEU 932 -2.281 -0.390 2.306 94 2HB LEU 932 HB2 LEU 932 -2.816 -0.573 0.645 95 HG LEU 932 HG LEU 932 -1.673 1.464 -0.003 96 1HD1 LEU 932 1HD1 LEU 932 -0.304 2.724 1.571 97 2HD1 LEU 932 2HD1 LEU 932 -2.004 2.758 2.037 98 3HD1 LEU 932 3HD1 LEU 932 -0.876 1.708 2.894 99 1HD2 LEU 932 1HD2 LEU 932 -0.390 -0.612 0.018 100 2HD2 LEU 932 2HD2 LEU 932 0.631 0.774 0.401 101 3HD2 LEU 932 3HD2 LEU 932 0.089 -0.305 1.687 102 H VAL 933 H VAL 933 -4.970 0.294 -0.457 103 HA VAL 933 HA VAL 933 -4.652 2.684 -1.902 104 HB VAL 933 HB VAL 933 -6.847 0.634 -2.254 105 1HG1 VAL 933 1HG1 VAL 933 -6.878 1.415 -4.586 106 2HG1 VAL 933 2HG1 VAL 933 -7.310 2.690 -3.447 107 3HG1 VAL 933 3HG1 VAL 933 -5.702 2.662 -4.168 108 1HG2 VAL 933 1HG2 VAL 933 -4.663 -0.435 -2.308 109 2HG2 VAL 933 2HG2 VAL 933 -5.373 -0.398 -3.922 110 3HG2 VAL 933 3HG2 VAL 933 -4.099 0.743 -3.493 111 H LYS 934 H LYS 934 -7.321 1.471 0.052 112 HA LYS 934 HA LYS 934 -9.163 3.505 -0.272 113 1HB LYS 934 HB1 LYS 934 -8.613 2.071 2.329 114 2HB LYS 934 HB2 LYS 934 -10.112 2.848 1.856 115 1HG LYS 934 HG1 LYS 934 -8.923 0.412 0.551 116 2HG LYS 934 HG2 LYS 934 -10.235 0.409 1.728 117 1HD LYS 934 HD1 LYS 934 -11.460 0.327 -0.193 118 2HD LYS 934 HD2 LYS 934 -11.316 2.077 -0.022 119 1HE LYS 934 HE1 LYS 934 -9.324 1.988 -1.517 120 2HE LYS 934 HE2 LYS 934 -9.653 0.274 -1.774 121 1HZ LYS 934 HZ1 LYS 934 -11.394 2.567 -2.503 122 2HZ LYS 934 HZ2 LYS 934 -10.626 1.481 -3.559 123 3HZ LYS 934 HZ3 LYS 934 -11.899 0.947 -2.572 124 H ALA 935 H ALA 935 -6.399 3.312 1.903 125 HA ALA 935 HA ALA 935 -7.015 5.730 3.283 126 1HB ALA 935 HB1 ALA 935 -4.431 4.200 3.165 127 2HB ALA 935 HB2 ALA 935 -4.849 5.456 4.330 128 3HB ALA 935 HB3 ALA 935 -5.740 3.933 4.316 129 H VAL 936 H VAL 936 -4.984 4.933 0.487 130 HA VAL 936 HA VAL 936 -3.978 7.614 0.372 131 HB VAL 936 HB VAL 936 -2.661 5.762 -0.568 132 1HG1 VAL 936 1HG1 VAL 936 -3.237 4.824 -2.749 133 2HG1 VAL 936 2HG1 VAL 936 -4.468 4.449 -1.543 134 3HG1 VAL 936 3HG1 VAL 936 -4.759 5.714 -2.734 135 1HG2 VAL 936 1HG2 VAL 936 -1.959 6.906 -2.618 136 2HG2 VAL 936 2HG2 VAL 936 -3.420 7.892 -2.561 137 3HG2 VAL 936 3HG2 VAL 936 -2.211 8.034 -1.284 138 H ILE 937 H ILE 937 -6.824 6.010 -0.627 139 HA ILE 937 HA ILE 937 -7.801 8.136 -2.255 140 HB ILE 937 HB ILE 937 -9.310 6.079 -0.635 141 1HG1 ILE 937 1HG1 ILE 937 -8.007 5.119 -2.465 142 2HG1 ILE 937 2HG1 ILE 937 -9.729 5.025 -2.818 143 1HG2 ILE 937 1HG2 ILE 937 -10.709 8.027 -0.938 144 2HG2 ILE 937 2HG2 ILE 937 -10.350 8.050 -2.664 145 3HG2 ILE 937 3HG2 ILE 937 -11.276 6.717 -1.974 146 1HD1 ILE 937 1HD1 ILE 937 -8.475 5.645 -4.789 147 2HD1 ILE 937 2HD1 ILE 937 -9.517 6.975 -4.286 148 3HD1 ILE 937 3HD1 ILE 937 -7.787 7.030 -3.944 149 H GLU 938 H GLU 938 -8.058 7.298 1.184 150 HA GLU 938 HA GLU 938 -9.410 9.506 2.159 151 1HB GLU 938 HB1 GLU 938 -7.073 8.067 3.440 152 2HB GLU 938 HB2 GLU 938 -8.137 9.194 4.276 153 1HG GLU 938 HG1 GLU 938 -10.055 7.719 3.740 154 2HG GLU 938 HG2 GLU 938 -8.925 6.567 3.035 155 H MET 939 H MET 939 -6.027 9.215 1.268 156 HA MET 939 HA MET 939 -5.094 11.690 2.177 157 1HB MET 939 HB1 MET 939 -3.619 9.934 1.268 158 2HB MET 939 HB2 MET 939 -4.299 10.191 -0.333 159 1HG MET 939 HG1 MET 939 -3.486 12.593 -0.111 160 2HG MET 939 HG2 MET 939 -2.543 12.021 1.264 161 1HE MET 939 HE1 MET 939 -3.474 10.308 -2.136 162 2HE MET 939 HE2 MET 939 -3.039 11.951 -2.605 163 3HE MET 939 HE3 MET 939 -2.014 10.600 -3.085 164 H SER 940 H SER 940 -6.605 10.765 -0.877 165 HA SER 940 HA SER 940 -6.561 13.386 -1.989 166 1HB SER 940 HB1 SER 940 -6.687 11.274 -3.333 167 2HB SER 940 HB2 SER 940 -8.340 11.064 -2.753 168 HG SER 940 HG SER 940 -7.304 13.139 -4.391 169 H SER 941 H SER 941 -8.781 11.627 0.070 170 HA SER 941 HA SER 941 -11.048 13.267 -0.669 171 1HB SER 941 HB1 SER 941 -10.757 11.302 1.621 172 2HB SER 941 HB2 SER 941 -12.268 11.976 1.013 173 HG SER 941 HG SER 941 -10.463 10.356 -0.474 174 H LYS 942 H LYS 942 -8.898 12.904 2.091 175 HA LYS 942 HA LYS 942 -10.270 14.943 3.559 176 1HB LYS 942 HB1 LYS 942 -9.066 14.266 5.381 177 2HB LYS 942 HB2 LYS 942 -9.022 12.803 4.420 178 1HG LYS 942 HG1 LYS 942 -6.858 12.919 5.068 179 2HG LYS 942 HG2 LYS 942 -6.764 13.845 3.564 180 1HD LYS 942 HD1 LYS 942 -5.603 14.969 5.423 181 2HD LYS 942 HD2 LYS 942 -6.952 15.920 4.792 182 1HE LYS 942 HE1 LYS 942 -6.819 15.892 7.279 183 2HE LYS 942 HE2 LYS 942 -8.345 15.292 6.633 184 1HZ LYS 942 HZ1 LYS 942 -7.350 13.956 8.479 185 2HZ LYS 942 HZ2 LYS 942 -7.718 13.074 7.078 186 3HZ LYS 942 HZ3 LYS 942 -6.118 13.509 7.414 187 H ILE 943 H ILE 943 -7.701 14.898 1.243 188 HA ILE 943 HA ILE 943 -6.675 17.480 2.021 189 HB ILE 943 HB ILE 943 -5.289 15.903 0.653 190 1HG1 ILE 943 1HG1 ILE 943 -5.854 18.646 -0.489 191 2HG1 ILE 943 2HG1 ILE 943 -4.675 18.241 0.752 192 1HG2 ILE 943 1HG2 ILE 943 -5.676 15.793 -1.768 193 2HG2 ILE 943 2HG2 ILE 943 -7.004 15.074 -0.859 194 3HG2 ILE 943 3HG2 ILE 943 -7.185 16.683 -1.561 195 1HD1 ILE 943 1HD1 ILE 943 -3.598 18.641 -1.375 196 2HD1 ILE 943 2HD1 ILE 943 -3.400 16.957 -0.892 197 3HD1 ILE 943 3HD1 ILE 943 -4.579 17.386 -2.132 198 H GLN 944 H GLN 944 -9.292 16.268 0.099 199 HA GLN 944 HA GLN 944 -9.842 18.390 -1.567 200 1HB GLN 944 HB1 GLN 944 -11.769 16.588 -0.102 201 2HB GLN 944 HB2 GLN 944 -12.274 17.744 -1.324 202 1HG GLN 944 HG1 GLN 944 -10.535 15.325 -1.670 203 2HG GLN 944 HG2 GLN 944 -12.133 15.611 -2.338 204 1HE2 GLN 944 2HE2 GLN 944 -8.786 16.144 -2.654 205 2HE2 GLN 944 1HE2 GLN 944 -8.811 16.923 -4.201 206 HA PRO 945 HA PRO 945 -11.733 20.932 1.859 207 1HB PRO 945 HB1 PRO 945 -12.756 19.867 4.075 208 2HB PRO 945 HB2 PRO 945 -13.532 19.626 2.506 209 1HG PRO 945 HG1 PRO 945 -12.036 17.707 4.169 210 2HG PRO 945 HG2 PRO 945 -13.230 17.401 2.899 211 1HD PRO 945 HD1 PRO 945 -10.330 17.398 2.711 212 2HD PRO 945 HD2 PRO 945 -11.524 16.908 1.491 213 H ALA 946 H ALA 946 -8.837 20.120 2.161 214 HA ALA 946 HA ALA 946 -8.474 21.137 4.895 215 1HB ALA 946 HB1 ALA 946 -6.989 18.758 3.809 216 2HB ALA 946 HB2 ALA 946 -6.762 19.502 5.392 217 3HB ALA 946 HB3 ALA 946 -8.287 18.705 5.002 218 HA PRO 947 HA PRO 947 -5.068 23.417 3.104 219 1HB PRO 947 HB1 PRO 947 -4.039 24.430 5.332 220 2HB PRO 947 HB2 PRO 947 -5.693 24.836 4.859 221 1HG PRO 947 HG1 PRO 947 -4.730 22.906 6.927 222 2HG PRO 947 HG2 PRO 947 -6.107 24.021 6.985 223 1HD PRO 947 HD1 PRO 947 -6.228 21.303 6.350 224 2HD PRO 947 HD2 PRO 947 -7.492 22.503 6.026 225 HA PRO 948 HA PRO 948 -1.045 21.424 3.232 226 1HB PRO 948 HB1 PRO 948 0.077 23.597 4.936 227 2HB PRO 948 HB2 PRO 948 0.700 22.915 3.429 228 1HG PRO 948 HG1 PRO 948 -0.508 25.281 3.435 229 2HG PRO 948 HG2 PRO 948 -0.781 24.130 2.114 230 1HD PRO 948 HD1 PRO 948 -2.557 24.857 4.395 231 2HD PRO 948 HD2 PRO 948 -2.979 24.439 2.724 232 H GLU 949 H GLU 949 -2.111 22.718 6.300 233 HA GLU 949 HA GLU 949 -0.528 21.309 8.070 234 1HB GLU 949 HB1 GLU 949 -3.428 22.111 8.315 235 2HB GLU 949 HB2 GLU 949 -2.442 21.540 9.656 236 1HG GLU 949 HG1 GLU 949 -0.935 23.428 9.360 237 2HG GLU 949 HG2 GLU 949 -1.912 24.001 8.007 238 H GLU 950 H GLU 950 -3.401 20.267 6.294 239 HA GLU 950 HA GLU 950 -3.150 17.639 7.538 240 1HB GLU 950 HB1 GLU 950 -5.351 18.949 6.003 241 2HB GLU 950 HB2 GLU 950 -5.252 17.190 6.071 242 1HG GLU 950 HG1 GLU 950 -6.750 17.975 7.769 243 2HG GLU 950 HG2 GLU 950 -5.307 17.306 8.523 244 H TYR 951 H TYR 951 -1.854 19.154 4.904 245 HA TYR 951 HA TYR 951 -2.026 17.155 2.921 246 1HB TYR 951 HB1 TYR 951 0.197 19.104 3.539 247 2HB TYR 951 HB2 TYR 951 0.247 17.998 2.175 248 HD1 TYR 951 HD1 TYR 951 -3.076 18.708 2.306 249 HD2 TYR 951 HD2 TYR 951 0.611 20.653 1.482 250 HE1 TYR 951 HE1 TYR 951 -4.264 20.369 0.941 251 HE2 TYR 951 HE2 TYR 951 -0.560 22.323 0.121 252 HH TYR 951 HH TYR 951 -2.602 22.630 -1.067 253 H VAL 952 H VAL 952 0.137 17.619 5.668 254 HA VAL 952 HA VAL 952 1.471 15.145 5.104 255 HB VAL 952 HB VAL 952 2.984 16.394 6.199 256 1HG1 VAL 952 1HG1 VAL 952 0.801 17.506 7.957 257 2HG1 VAL 952 2HG1 VAL 952 2.512 17.891 8.132 258 3HG1 VAL 952 3HG1 VAL 952 1.658 18.329 6.654 259 1HG2 VAL 952 1HG2 VAL 952 2.837 14.333 7.465 260 2HG2 VAL 952 2HG2 VAL 952 3.279 15.672 8.526 261 3HG2 VAL 952 3HG2 VAL 952 1.630 15.047 8.535 262 HA PRO 953 HA PRO 953 -1.434 13.439 8.799 263 1HB PRO 953 HB1 PRO 953 -3.646 15.269 7.994 264 2HB PRO 953 HB2 PRO 953 -3.350 14.489 9.557 265 1HG PRO 953 HG1 PRO 953 -2.705 17.019 9.254 266 2HG PRO 953 HG2 PRO 953 -1.575 15.921 10.071 267 1HD PRO 953 HD1 PRO 953 -1.466 17.031 7.301 268 2HD PRO 953 HD2 PRO 953 -0.146 16.719 8.444 269 H MET 954 H MET 954 -2.611 14.638 5.630 270 HA MET 954 HA MET 954 -4.490 12.531 5.293 271 1HB MET 954 HB1 MET 954 -4.681 13.211 3.003 272 2HB MET 954 HB2 MET 954 -4.559 14.654 3.994 273 1HG MET 954 HG1 MET 954 -2.204 14.853 3.394 274 2HG MET 954 HG2 MET 954 -2.349 13.417 2.384 275 1HE MET 954 HE1 MET 954 -2.004 16.241 -0.249 276 2HE MET 954 HE2 MET 954 -1.220 16.191 1.331 277 3HE MET 954 HE3 MET 954 -1.363 14.719 0.370 278 H VAL 955 H VAL 955 -1.178 12.997 4.010 279 HA VAL 955 HA VAL 955 -0.974 10.417 2.961 280 HB VAL 955 HB VAL 955 1.234 12.226 3.955 281 1HG1 VAL 955 1HG1 VAL 955 2.751 10.816 2.668 282 2HG1 VAL 955 2HG1 VAL 955 1.966 9.891 3.949 283 3HG1 VAL 955 3HG1 VAL 955 1.420 9.723 2.281 284 1HG2 VAL 955 1HG2 VAL 955 0.173 11.641 1.191 285 2HG2 VAL 955 2HG2 VAL 955 -0.077 13.127 2.107 286 3HG2 VAL 955 3HG2 VAL 955 1.543 12.686 1.571 287 H LYS 956 H LYS 956 -0.718 11.587 6.216 288 HA LYS 956 HA LYS 956 0.545 9.366 7.412 289 1HB LYS 956 HB1 LYS 956 0.007 11.497 8.595 290 2HB LYS 956 HB2 LYS 956 -1.691 11.041 8.578 291 1HG LYS 956 HG1 LYS 956 -0.971 8.944 9.830 292 2HG LYS 956 HG2 LYS 956 0.568 9.764 10.084 293 1HD LYS 956 HD1 LYS 956 -0.611 10.306 12.008 294 2HD LYS 956 HD2 LYS 956 -0.897 11.710 10.978 295 1HE LYS 956 HE1 LYS 956 -2.785 9.370 11.199 296 2HE LYS 956 HE2 LYS 956 -2.926 10.836 12.163 297 1HZ LYS 956 HZ1 LYS 956 -3.695 12.018 10.422 298 2HZ LYS 956 HZ2 LYS 956 -2.749 11.198 9.282 299 3HZ LYS 956 HZ3 LYS 956 -4.178 10.493 9.855 300 H GLU 957 H GLU 957 -2.784 9.999 6.510 301 HA GLU 957 HA GLU 957 -4.050 7.727 7.440 302 1HB GLU 957 HB1 GLU 957 -4.590 9.003 4.737 303 2HB GLU 957 HB2 GLU 957 -5.715 8.051 5.697 304 1HG GLU 957 HG1 GLU 957 -4.583 10.740 6.440 305 2HG GLU 957 HG2 GLU 957 -6.212 10.417 5.851 306 H VAL 958 H VAL 958 -2.316 8.153 4.357 307 HA VAL 958 HA VAL 958 -2.540 5.450 3.526 308 HB VAL 958 HB VAL 958 -0.215 7.148 2.706 309 1HG1 VAL 958 1HG1 VAL 958 -0.423 4.928 1.762 310 2HG1 VAL 958 2HG1 VAL 958 -2.055 5.295 1.205 311 3HG1 VAL 958 3HG1 VAL 958 -0.676 6.154 0.520 312 1HG2 VAL 958 1HG2 VAL 958 -1.767 8.220 1.016 313 2HG2 VAL 958 2HG2 VAL 958 -3.094 7.656 2.034 314 3HG2 VAL 958 3HG2 VAL 958 -1.914 8.783 2.681 315 H GLY 959 H GLY 959 -0.135 7.164 5.477 316 1HA GLY 959 HA1 GLY 959 1.861 5.145 5.313 317 2HA GLY 959 HA2 GLY 959 1.798 6.433 6.506 318 H LEU 960 H LEU 960 -0.456 5.920 7.904 319 HA LEU 960 HA LEU 960 0.030 3.676 9.478 320 1HB LEU 960 HB1 LEU 960 -2.601 5.091 9.022 321 2HB LEU 960 HB2 LEU 960 -2.271 3.977 10.335 322 HG LEU 960 HG LEU 960 -0.918 6.642 9.903 323 1HD1 LEU 960 1HD1 LEU 960 -2.125 7.339 11.892 324 2HD1 LEU 960 2HD1 LEU 960 -3.245 6.833 10.626 325 3HD1 LEU 960 3HD1 LEU 960 -2.910 5.761 11.985 326 1HD2 LEU 960 1HD2 LEU 960 -0.622 4.614 12.117 327 2HD2 LEU 960 2HD2 LEU 960 0.602 5.059 10.927 328 3HD2 LEU 960 3HD2 LEU 960 0.064 6.239 12.122 329 H ALA 961 H ALA 961 -1.870 4.041 6.592 330 HA ALA 961 HA ALA 961 -3.138 1.535 6.594 331 1HB ALA 961 HB1 ALA 961 -3.809 3.311 5.086 332 2HB ALA 961 HB2 ALA 961 -2.280 3.167 4.218 333 3HB ALA 961 HB3 ALA 961 -3.437 1.836 4.198 334 H LEU 962 H LEU 962 -0.116 2.469 4.835 335 HA LEU 962 HA LEU 962 0.447 -0.182 4.086 336 1HB LEU 962 HB1 LEU 962 1.402 1.589 2.826 337 2HB LEU 962 HB2 LEU 962 2.149 2.302 4.247 338 HG LEU 962 HG LEU 962 3.666 1.155 2.560 339 1HD1 LEU 962 1HD1 LEU 962 5.136 0.205 4.260 340 2HD1 LEU 962 2HD1 LEU 962 4.452 1.746 4.778 341 3HD1 LEU 962 3HD1 LEU 962 3.813 0.235 5.426 342 1HD2 LEU 962 1HD2 LEU 962 2.321 -0.806 2.130 343 2HD2 LEU 962 2HD2 LEU 962 3.898 -1.273 2.768 344 3HD2 LEU 962 3HD2 LEU 962 2.478 -1.312 3.812 345 H ARG 963 H ARG 963 1.443 1.677 6.993 346 HA ARG 963 HA ARG 963 3.007 -0.265 8.186 347 1HB ARG 963 HB1 ARG 963 2.707 1.935 9.183 348 2HB ARG 963 HB2 ARG 963 1.010 1.595 9.492 349 1HG ARG 963 HG1 ARG 963 2.321 1.375 11.523 350 2HG ARG 963 HG2 ARG 963 1.644 -0.183 11.045 351 1HD ARG 963 HD1 ARG 963 3.875 -0.593 9.873 352 2HD ARG 963 HD2 ARG 963 4.476 0.786 10.788 353 HE ARG 963 HE ARG 963 3.340 -0.869 12.654 354 1HH1 ARG 963 2HH1 ARG 963 5.899 -1.088 10.283 355 2HH1 ARG 963 1HH1 ARG 963 6.764 -2.334 11.135 356 1HH2 ARG 963 2HH2 ARG 963 4.459 -2.503 13.787 357 2HH2 ARG 963 1HH2 ARG 963 5.929 -3.162 13.122 358 H THR 964 H THR 964 -0.492 0.155 8.736 359 HA THR 964 HA THR 964 -0.974 -2.255 10.024 360 HB THR 964 HB THR 964 -2.886 -0.916 8.097 361 HG1 THR 964 HG1 THR 964 -2.364 0.653 9.541 362 1HG2 THR 964 1HG2 THR 964 -3.370 -2.668 10.512 363 2HG2 THR 964 2HG2 THR 964 -4.618 -1.879 9.548 364 3HG2 THR 964 3HG2 THR 964 -3.612 -3.136 8.829 365 H LEU 965 H LEU 965 -0.560 -1.601 6.632 366 HA LEU 965 HA LEU 965 -1.393 -4.095 5.616 367 1HB LEU 965 HB1 LEU 965 -1.164 -2.138 4.208 368 2HB LEU 965 HB2 LEU 965 0.546 -2.042 4.558 369 HG LEU 965 HG LEU 965 -0.192 -2.943 2.274 370 1HD1 LEU 965 1HD1 LEU 965 2.096 -3.032 3.059 371 2HD1 LEU 965 2HD1 LEU 965 1.748 -4.501 3.969 372 3HD1 LEU 965 3HD1 LEU 965 1.678 -4.518 2.207 373 1HD2 LEU 965 1HD2 LEU 965 -0.628 -5.348 2.201 374 2HD2 LEU 965 2HD2 LEU 965 -0.681 -5.391 3.963 375 3HD2 LEU 965 3HD2 LEU 965 -1.897 -4.481 3.066 376 H LEU 966 H LEU 966 1.719 -2.877 6.709 377 HA LEU 966 HA LEU 966 3.331 -5.070 6.193 378 1HB LEU 966 HB1 LEU 966 4.031 -2.836 7.118 379 2HB LEU 966 HB2 LEU 966 3.496 -3.386 8.691 380 HG LEU 966 HG LEU 966 5.533 -5.007 7.217 381 1HD1 LEU 966 1HD1 LEU 966 6.104 -2.479 8.762 382 2HD1 LEU 966 2HD1 LEU 966 7.314 -3.641 8.220 383 3HD1 LEU 966 3HD1 LEU 966 6.369 -2.736 7.038 384 1HD2 LEU 966 1HD2 LEU 966 4.595 -5.852 9.316 385 2HD2 LEU 966 2HD2 LEU 966 6.310 -5.473 9.487 386 3HD2 LEU 966 3HD2 LEU 966 5.095 -4.374 10.137 387 H ALA 967 H ALA 967 1.010 -4.647 8.824 388 HA ALA 967 HA ALA 967 1.663 -7.043 10.207 389 1HB ALA 967 HB1 ALA 967 -0.496 -6.799 11.297 390 2HB ALA 967 HB2 ALA 967 0.334 -5.244 11.221 391 3HB ALA 967 HB3 ALA 967 -0.983 -5.596 10.103 392 H THR 968 H THR 968 -0.748 -6.274 7.736 393 HA THR 968 HA THR 968 -1.759 -8.814 7.246 394 HB THR 968 HB THR 968 -1.384 -6.356 5.591 395 HG1 THR 968 HG1 THR 968 -3.802 -7.702 5.749 396 1HG2 THR 968 1HG2 THR 968 -2.399 -8.969 4.493 397 2HG2 THR 968 2HG2 THR 968 -2.521 -7.400 3.693 398 3HG2 THR 968 3HG2 THR 968 -0.938 -8.121 3.989 399 H VAL 969 H VAL 969 1.139 -7.267 5.897 400 HA VAL 969 HA VAL 969 2.132 -9.292 4.339 401 HB VAL 969 HB VAL 969 3.704 -7.428 6.129 402 1HG1 VAL 969 1HG1 VAL 969 4.678 -9.113 3.817 403 2HG1 VAL 969 2HG1 VAL 969 5.627 -7.910 4.693 404 3HG1 VAL 969 3HG1 VAL 969 5.070 -9.365 5.519 405 1HG2 VAL 969 1HG2 VAL 969 3.030 -7.291 3.191 406 2HG2 VAL 969 2HG2 VAL 969 2.311 -6.308 4.467 407 3HG2 VAL 969 3HG2 VAL 969 4.024 -6.137 4.080 408 H ASP 970 H ASP 970 2.117 -9.158 7.861 409 HA ASP 970 HA ASP 970 3.925 -11.324 8.248 410 1HB ASP 970 HB1 ASP 970 3.486 -9.786 10.078 411 2HB ASP 970 HB2 ASP 970 1.776 -10.208 10.064 412 H GLU 971 H GLU 971 0.476 -11.143 7.789 413 HA GLU 971 HA GLU 971 -0.142 -13.876 8.162 414 1HB GLU 971 HB1 GLU 971 -1.302 -12.126 5.980 415 2HB GLU 971 HB2 GLU 971 -2.064 -13.508 6.755 416 1HG GLU 971 HG1 GLU 971 -1.335 -11.002 8.238 417 2HG GLU 971 HG2 GLU 971 -2.892 -11.225 7.436 418 H SER 972 H SER 972 0.764 -12.106 5.255 419 HA SER 972 HA SER 972 1.100 -14.342 3.600 420 1HB SER 972 HB1 SER 972 0.659 -12.286 2.562 421 2HB SER 972 HB2 SER 972 2.001 -11.471 3.354 422 HG SER 972 HG SER 972 3.196 -13.337 2.127 423 H LEU 973 H LEU 973 3.196 -13.006 6.005 424 HA LEU 973 HA LEU 973 5.675 -13.722 4.908 425 1HB LEU 973 HB1 LEU 973 5.212 -12.265 6.947 426 2HB LEU 973 HB2 LEU 973 5.046 -13.747 7.863 427 HG LEU 973 HG LEU 973 7.562 -13.135 6.326 428 1HD1 LEU 973 1HD1 LEU 973 6.924 -12.357 9.168 429 2HD1 LEU 973 2HD1 LEU 973 8.494 -12.208 8.377 430 3HD1 LEU 973 3HD1 LEU 973 7.127 -11.248 7.812 431 1HD2 LEU 973 1HD2 LEU 973 7.229 -15.438 7.122 432 2HD2 LEU 973 2HD2 LEU 973 8.571 -14.643 7.944 433 3HD2 LEU 973 3HD2 LEU 973 7.022 -14.831 8.766 434 HA PRO 974 HA PRO 974 5.316 -18.144 6.933 435 1HB PRO 974 HB1 PRO 974 2.658 -18.888 7.325 436 2HB PRO 974 HB2 PRO 974 3.825 -18.526 8.602 437 1HG PRO 974 HG1 PRO 974 1.709 -16.798 7.417 438 2HG PRO 974 HG2 PRO 974 2.284 -16.888 9.091 439 1HD PRO 974 HD1 PRO 974 2.991 -14.876 7.470 440 2HD PRO 974 HD2 PRO 974 4.118 -15.544 8.669 441 H VAL 975 H VAL 975 2.949 -16.519 4.946 442 HA VAL 975 HA VAL 975 2.588 -18.737 3.138 443 HB VAL 975 HB VAL 975 2.138 -15.792 2.643 444 1HG1 VAL 975 1HG1 VAL 975 2.315 -17.063 0.572 445 2HG1 VAL 975 2HG1 VAL 975 1.103 -18.202 1.160 446 3HG1 VAL 975 3HG1 VAL 975 0.656 -16.525 0.845 447 1HG2 VAL 975 1HG2 VAL 975 -0.209 -16.269 3.140 448 2HG2 VAL 975 2HG2 VAL 975 0.214 -17.935 3.535 449 3HG2 VAL 975 3HG2 VAL 975 0.827 -16.611 4.526 450 H LEU 976 H LEU 976 5.165 -16.507 3.625 451 HA LEU 976 HA LEU 976 6.083 -16.560 0.924 452 1HB LEU 976 HB1 LEU 976 7.860 -15.195 1.506 453 2HB LEU 976 HB2 LEU 976 6.563 -14.695 2.558 454 HG LEU 976 HG LEU 976 7.739 -16.214 4.319 455 1HD1 LEU 976 1HD1 LEU 976 9.344 -17.243 2.786 456 2HD1 LEU 976 2HD1 LEU 976 10.027 -15.655 2.436 457 3HD1 LEU 976 3HD1 LEU 976 10.157 -16.333 4.059 458 1HD2 LEU 976 1HD2 LEU 976 7.518 -13.807 4.485 459 2HD2 LEU 976 2HD2 LEU 976 9.129 -14.311 4.993 460 3HD2 LEU 976 3HD2 LEU 976 8.891 -13.587 3.403 461 HA PRO 977 HA PRO 977 9.083 -20.035 2.421 462 1HB PRO 977 HB1 PRO 977 7.471 -21.323 4.532 463 2HB PRO 977 HB2 PRO 977 9.211 -21.016 4.478 464 1HG PRO 977 HG1 PRO 977 7.596 -19.623 6.099 465 2HG PRO 977 HG2 PRO 977 8.993 -18.871 5.305 466 1HD PRO 977 HD1 PRO 977 6.092 -18.729 4.573 467 2HD PRO 977 HD2 PRO 977 7.315 -17.442 4.584 468 H ALA 978 H ALA 978 5.583 -20.122 2.709 469 HA ALA 978 HA ALA 978 5.173 -22.590 1.414 470 1HB ALA 978 HB1 ALA 978 3.386 -20.158 1.415 471 2HB ALA 978 HB2 ALA 978 2.907 -21.798 0.981 472 3HB ALA 978 HB3 ALA 978 3.398 -21.433 2.635 473 H SER 979 H SER 979 4.976 -19.276 0.018 474 HA SER 979 HA SER 979 6.244 -20.084 -2.415 475 1HB SER 979 HB1 SER 979 3.240 -19.815 -2.367 476 2HB SER 979 HB2 SER 979 4.176 -19.623 -3.853 477 HG SER 979 HG SER 979 4.688 -21.892 -2.321 478 H THR 980 H THR 980 4.407 -17.644 -0.656 479 HA THR 980 HA THR 980 4.257 -15.759 -2.738 480 HB THR 980 HB THR 980 2.863 -15.827 -0.580 481 HG1 THR 980 HG1 THR 980 2.909 -13.320 -0.760 482 1HG2 THR 980 1HG2 THR 980 3.604 -14.244 1.137 483 2HG2 THR 980 2HG2 THR 980 4.712 -15.611 1.005 484 3HG2 THR 980 3HG2 THR 980 5.143 -14.054 0.297 485 H HIS 981 H HIS 981 6.970 -16.531 -0.842 486 HA HIS 981 HA HIS 981 8.202 -14.169 -0.276 487 1HB HIS 981 HB1 HIS 981 9.076 -16.394 0.333 488 2HB HIS 981 HB2 HIS 981 9.586 -16.638 -1.332 489 HD1 HIS 981 HD1 HIS 981 10.302 -14.288 1.571 490 HD2 HIS 981 HD2 HIS 981 12.124 -15.783 -1.852 491 HE1 HIS 981 HE1 HIS 981 12.667 -13.451 1.650 492 HE2 HIS 981 HE2 HIS 981 13.764 -14.369 -0.425 493 H ARG 982 H ARG 982 7.687 -15.389 -3.502 494 HA ARG 982 HA ARG 982 9.755 -13.831 -4.728 495 1HB ARG 982 HB1 ARG 982 8.753 -15.757 -5.875 496 2HB ARG 982 HB2 ARG 982 7.203 -14.928 -5.924 497 1HG ARG 982 HG1 ARG 982 8.120 -13.226 -7.383 498 2HG ARG 982 HG2 ARG 982 9.717 -13.967 -7.276 499 1HD ARG 982 HD1 ARG 982 7.249 -15.255 -8.435 500 2HD ARG 982 HD2 ARG 982 8.580 -14.563 -9.362 501 HE ARG 982 HE ARG 982 9.430 -16.583 -7.505 502 1HH1 ARG 982 2HH1 ARG 982 8.156 -16.023 -10.736 503 2HH1 ARG 982 1HH1 ARG 982 8.768 -17.530 -11.357 504 1HH2 ARG 982 2HH2 ARG 982 10.190 -18.571 -8.332 505 2HH2 ARG 982 1HH2 ARG 982 9.918 -18.960 -10.006 506 H GLU 983 H GLU 983 6.205 -13.355 -4.535 507 HA GLU 983 HA GLU 983 6.402 -10.683 -5.510 508 1HB GLU 983 HB1 GLU 983 4.238 -12.462 -4.842 509 2HB GLU 983 HB2 GLU 983 3.959 -10.870 -4.191 510 1HG GLU 983 HG1 GLU 983 3.012 -10.684 -6.234 511 2HG GLU 983 HG2 GLU 983 4.637 -10.047 -6.521 512 H ILE 984 H ILE 984 5.993 -12.078 -2.284 513 HA ILE 984 HA ILE 984 5.220 -9.684 -1.053 514 HB ILE 984 HB ILE 984 5.011 -11.970 -0.040 515 1HG1 ILE 984 1HG1 ILE 984 5.442 -11.189 2.287 516 2HG1 ILE 984 2HG1 ILE 984 6.322 -9.810 1.635 517 1HG2 ILE 984 1HG2 ILE 984 7.262 -12.781 -0.461 518 2HG2 ILE 984 2HG2 ILE 984 7.931 -11.554 0.615 519 3HG2 ILE 984 3HG2 ILE 984 6.903 -12.834 1.264 520 1HD1 ILE 984 1HD1 ILE 984 4.291 -9.035 0.532 521 2HD1 ILE 984 2HD1 ILE 984 3.411 -10.420 1.181 522 3HD1 ILE 984 3HD1 ILE 984 4.064 -9.198 2.272 523 H GLU 985 H GLU 985 8.342 -10.919 -1.946 524 HA GLU 985 HA GLU 985 9.842 -8.923 -0.575 525 1HB GLU 985 HB1 GLU 985 10.518 -10.762 -2.860 526 2HB GLU 985 HB2 GLU 985 11.663 -9.603 -2.202 527 1HG GLU 985 HG1 GLU 985 10.330 -11.804 -0.642 528 2HG GLU 985 HG2 GLU 985 11.968 -11.857 -1.290 529 H MET 986 H MET 986 8.426 -9.162 -3.845 530 HA MET 986 HA MET 986 9.945 -7.020 -4.869 531 1HB MET 986 HB1 MET 986 8.523 -7.010 -6.806 532 2HB MET 986 HB2 MET 986 8.950 -8.652 -6.360 533 1HG MET 986 HG1 MET 986 6.754 -8.979 -5.392 534 2HG MET 986 HG2 MET 986 6.326 -7.310 -5.770 535 1HE MET 986 HE1 MET 986 8.485 -9.679 -8.055 536 2HE MET 986 HE2 MET 986 7.357 -10.793 -7.282 537 3HE MET 986 HE3 MET 986 7.233 -10.472 -9.011 538 H ALA 987 H ALA 987 6.540 -7.009 -3.796 539 HA ALA 987 HA ALA 987 6.368 -4.193 -4.243 540 1HB ALA 987 HB1 ALA 987 4.464 -5.677 -4.694 541 2HB ALA 987 HB2 ALA 987 4.351 -6.018 -2.967 542 3HB ALA 987 HB3 ALA 987 4.073 -4.381 -3.563 543 H GLN 988 H GLN 988 6.560 -6.339 -1.376 544 HA GLN 988 HA GLN 988 5.843 -4.387 0.485 545 1HB GLN 988 HB1 GLN 988 5.979 -6.656 1.229 546 2HB GLN 988 HB2 GLN 988 7.683 -6.761 0.806 547 1HG GLN 988 HG1 GLN 988 8.093 -4.965 2.535 548 2HG GLN 988 HG2 GLN 988 6.427 -5.214 3.054 549 1HE2 GLN 988 2HE2 GLN 988 7.136 -5.869 5.100 550 2HE2 GLN 988 1HE2 GLN 988 7.828 -7.430 5.360 551 H LYS 989 H LYS 989 9.040 -5.193 -0.833 552 HA LYS 989 HA LYS 989 10.471 -3.312 0.755 553 1HB LYS 989 HB1 LYS 989 11.515 -5.264 -0.416 554 2HB LYS 989 HB2 LYS 989 11.238 -4.444 -1.945 555 1HG LYS 989 HG1 LYS 989 12.701 -2.616 -1.227 556 2HG LYS 989 HG2 LYS 989 12.991 -3.457 0.298 557 1HD LYS 989 HD1 LYS 989 13.903 -5.371 -0.988 558 2HD LYS 989 HD2 LYS 989 13.708 -4.431 -2.468 559 1HE LYS 989 HE1 LYS 989 15.998 -4.297 -1.696 560 2HE LYS 989 HE2 LYS 989 15.222 -2.721 -1.555 561 1HZ LYS 989 HZ1 LYS 989 16.581 -3.378 0.401 562 2HZ LYS 989 HZ2 LYS 989 14.970 -3.017 0.776 563 3HZ LYS 989 HZ3 LYS 989 15.482 -4.633 0.700 564 H LEU 990 H LEU 990 8.723 -3.203 -2.232 565 HA LEU 990 HA LEU 990 9.664 -0.630 -3.068 566 1HB LEU 990 HB1 LEU 990 9.021 -2.102 -4.765 567 2HB LEU 990 HB2 LEU 990 7.583 -2.608 -3.919 568 HG LEU 990 HG LEU 990 6.359 -0.727 -4.614 569 1HD1 LEU 990 1HD1 LEU 990 8.069 1.009 -4.230 570 2HD1 LEU 990 2HD1 LEU 990 8.965 0.445 -5.640 571 3HD1 LEU 990 3HD1 LEU 990 7.365 1.159 -5.840 572 1HD2 LEU 990 1HD2 LEU 990 6.677 -2.406 -6.332 573 2HD2 LEU 990 2HD2 LEU 990 6.595 -0.798 -7.053 574 3HD2 LEU 990 3HD2 LEU 990 8.152 -1.606 -6.878 575 H LEU 991 H LEU 991 7.022 -1.892 -1.162 576 HA LEU 991 HA LEU 991 5.413 0.410 -0.983 577 1HB LEU 991 HB1 LEU 991 5.846 -1.853 0.967 578 2HB LEU 991 HB2 LEU 991 4.596 -0.637 1.139 579 HG LEU 991 HG LEU 991 4.771 -2.393 -1.291 580 1HD1 LEU 991 1HD1 LEU 991 3.132 -3.859 -0.231 581 2HD1 LEU 991 2HD1 LEU 991 4.641 -3.835 0.682 582 3HD1 LEU 991 3HD1 LEU 991 3.245 -2.924 1.260 583 1HD2 LEU 991 1HD2 LEU 991 2.500 -0.878 0.009 584 2HD2 LEU 991 2HD2 LEU 991 3.370 -0.389 -1.445 585 3HD2 LEU 991 3HD2 LEU 991 2.385 -1.853 -1.457 586 H ASN 992 H ASN 992 7.977 -0.850 1.101 587 HA ASN 992 HA ASN 992 7.850 1.107 3.090 588 1HB ASN 992 HB1 ASN 992 9.095 -1.015 3.312 589 2HB ASN 992 HB2 ASN 992 10.268 -0.447 2.129 590 1HD2 ASN 992 2HD2 ASN 992 9.140 -0.214 5.385 591 2HD2 ASN 992 1HD2 ASN 992 10.452 0.731 5.996 592 H SER 993 H SER 993 9.600 1.007 0.041 593 HA SER 993 HA SER 993 11.102 3.378 0.585 594 1HB SER 993 HB1 SER 993 10.688 1.930 -2.032 595 2HB SER 993 HB2 SER 993 11.943 3.118 -1.681 596 HG SER 993 HG SER 993 12.194 0.588 -1.408 597 H ASP 994 H ASP 994 8.069 2.697 -1.106 598 HA ASP 994 HA ASP 994 8.152 5.412 -2.194 599 1HB ASP 994 HB1 ASP 994 6.780 2.933 -3.060 600 2HB ASP 994 HB2 ASP 994 6.015 4.478 -3.441 601 H LEU 995 H LEU 995 6.043 3.410 -0.084 602 HA LEU 995 HA LEU 995 4.309 5.495 0.633 603 1HB LEU 995 HB1 LEU 995 3.961 3.292 1.602 604 2HB LEU 995 HB2 LEU 995 5.533 3.326 2.371 605 HG LEU 995 HG LEU 995 3.446 3.652 3.817 606 1HD1 LEU 995 1HD1 LEU 995 4.565 5.211 5.309 607 2HD1 LEU 995 2HD1 LEU 995 5.695 4.029 4.649 608 3HD1 LEU 995 3HD1 LEU 995 5.666 5.673 4.009 609 1HD2 LEU 995 1HD2 LEU 995 2.228 5.224 2.513 610 2HD2 LEU 995 2HD2 LEU 995 2.720 6.031 4.001 611 3HD2 LEU 995 3HD2 LEU 995 3.585 6.353 2.502 612 H ALA 996 H ALA 996 7.626 4.823 1.474 613 HA ALA 996 HA ALA 996 8.031 6.908 3.304 614 1HB ALA 996 HB1 ALA 996 9.660 5.100 2.953 615 2HB ALA 996 HB2 ALA 996 10.062 5.792 1.382 616 3HB ALA 996 HB3 ALA 996 10.398 6.698 2.857 617 H GLU 997 H GLU 997 8.613 6.914 -0.256 618 HA GLU 997 HA GLU 997 9.224 9.613 -0.375 619 1HB GLU 997 HB1 GLU 997 7.873 7.890 -2.416 620 2HB GLU 997 HB2 GLU 997 8.252 9.588 -2.700 621 1HG GLU 997 HG1 GLU 997 10.630 8.891 -1.956 622 2HG GLU 997 HG2 GLU 997 10.076 7.270 -2.377 623 H LEU 998 H LEU 998 6.048 8.096 -0.217 624 HA LEU 998 HA LEU 998 4.681 10.504 -0.889 625 1HB LEU 998 HB1 LEU 998 3.654 8.250 -1.086 626 2HB LEU 998 HB2 LEU 998 3.620 8.145 0.664 627 HG LEU 998 HG LEU 998 2.050 9.973 0.807 628 1HD1 LEU 998 1HD1 LEU 998 1.157 11.063 -1.192 629 2HD1 LEU 998 2HD1 LEU 998 2.893 11.328 -1.032 630 3HD1 LEU 998 3HD1 LEU 998 2.284 10.148 -2.194 631 1HD2 LEU 998 1HD2 LEU 998 1.084 7.791 0.464 632 2HD2 LEU 998 2HD2 LEU 998 0.135 8.998 -0.403 633 3HD2 LEU 998 3HD2 LEU 998 1.252 7.955 -1.284 634 H ILE 999 H ILE 999 5.881 9.089 2.078 635 HA ILE 999 HA ILE 999 4.546 11.088 3.695 636 HB ILE 999 HB ILE 999 5.748 10.236 5.628 637 1HG1 ILE 999 1HG1 ILE 999 7.128 8.361 3.692 638 2HG1 ILE 999 2HG1 ILE 999 7.895 9.689 4.555 639 1HG2 ILE 999 1HG2 ILE 999 3.694 9.145 4.954 640 2HG2 ILE 999 2HG2 ILE 999 4.593 8.062 3.891 641 3HG2 ILE 999 3HG2 ILE 999 4.816 7.968 5.638 642 1HD1 ILE 999 1HD1 ILE 999 6.628 7.287 5.848 643 2HD1 ILE 999 2HD1 ILE 999 8.356 7.510 5.571 644 3HD1 ILE 999 3HD1 ILE 999 7.492 8.588 6.669 645 H ASN1000 H ASN1000 7.726 10.758 2.220 646 HA ASN1000 HA ASN1000 8.644 13.285 3.278 647 1HB ASN1000 HB1 ASN1000 9.538 11.590 0.932 648 2HB ASN1000 HB2 ASN1000 10.274 13.138 1.322 649 1HD2 ASN1000 2HD2 ASN1000 9.862 9.837 2.269 650 2HD2 ASN1000 1HD2 ASN1000 11.137 9.800 3.431 651 H LYS1001 H LYS1001 6.433 12.356 0.853 652 HA LYS1001 HA LYS1001 6.728 14.863 -0.565 653 1HB LYS1001 HB1 LYS1001 5.368 12.324 -1.083 654 2HB LYS1001 HB2 LYS1001 4.448 13.738 -1.582 655 1HG LYS1001 HG1 LYS1001 5.907 12.774 -3.361 656 2HG LYS1001 HG2 LYS1001 6.199 14.480 -3.023 657 1HD LYS1001 HD1 LYS1001 8.114 13.813 -1.589 658 2HD LYS1001 HD2 LYS1001 7.849 12.139 -2.073 659 1HE LYS1001 HE1 LYS1001 8.384 14.375 -4.022 660 2HE LYS1001 HE2 LYS1001 9.652 13.366 -3.335 661 1HZ LYS1001 HZ1 LYS1001 8.767 11.460 -4.394 662 2HZ LYS1001 HZ2 LYS1001 7.350 12.268 -4.846 663 3HZ LYS1001 HZ3 LYS1001 8.822 12.678 -5.571 664 H MET1002 H MET1002 4.503 13.402 1.766 665 HA MET1002 HA MET1002 2.818 15.671 1.992 666 1HB MET1002 HB1 MET1002 2.038 14.718 4.034 667 2HB MET1002 HB2 MET1002 2.369 13.354 2.977 668 1HG MET1002 HG1 MET1002 4.525 13.029 4.113 669 2HG MET1002 HG2 MET1002 4.133 14.357 5.201 670 1HE MET1002 HE1 MET1002 3.798 11.361 7.628 671 2HE MET1002 HE2 MET1002 4.997 11.549 6.348 672 3HE MET1002 HE3 MET1002 4.523 12.940 7.324 673 H LYS1003 H LYS1003 5.828 14.593 3.356 674 HA LYS1003 HA LYS1003 6.327 16.703 5.124 675 1HB LYS1003 HB1 LYS1003 7.625 14.616 5.099 676 2HB LYS1003 HB2 LYS1003 8.251 15.016 3.508 677 1HG LYS1003 HG1 LYS1003 9.387 16.967 4.459 678 2HG LYS1003 HG2 LYS1003 8.788 16.522 6.060 679 1HD LYS1003 HD1 LYS1003 9.954 14.344 5.835 680 2HD LYS1003 HD2 LYS1003 10.619 14.893 4.297 681 1HE LYS1003 HE1 LYS1003 12.251 15.185 6.061 682 2HE LYS1003 HE2 LYS1003 11.723 16.756 5.458 683 1HZ LYS1003 HZ1 LYS1003 11.871 16.652 7.896 684 2HZ LYS1003 HZ2 LYS1003 10.303 17.009 7.361 685 3HZ LYS1003 HZ3 LYS1003 10.673 15.450 7.914 686 H LEU1004 H LEU1004 7.532 16.180 1.814 687 HA LEU1004 HA LEU1004 8.594 18.684 1.393 688 1HB LEU1004 HB1 LEU1004 7.519 16.595 -0.458 689 2HB LEU1004 HB2 LEU1004 8.118 18.122 -1.090 690 HG LEU1004 HG LEU1004 9.701 16.121 0.530 691 1HD1 LEU1004 1HD1 LEU1004 10.950 15.772 -1.522 692 2HD1 LEU1004 2HD1 LEU1004 9.242 15.401 -1.760 693 3HD1 LEU1004 3HD1 LEU1004 9.909 16.917 -2.366 694 1HD2 LEU1004 1HD2 LEU1004 10.563 18.732 -0.710 695 2HD2 LEU1004 2HD2 LEU1004 10.410 18.401 1.015 696 3HD2 LEU1004 3HD2 LEU1004 11.627 17.555 0.061 697 H ALA1005 H ALA1005 5.260 17.637 0.648 698 HA ALA1005 HA ALA1005 4.418 20.005 -0.577 699 1HB ALA1005 HB1 ALA1005 2.779 18.166 1.167 700 2HB ALA1005 HB2 ALA1005 2.151 19.327 -0.004 701 3HB ALA1005 HB3 ALA1005 3.087 17.937 -0.554 702 H GLN1006 H GLN1006 4.362 19.042 2.820 703 HA GLN1006 HA GLN1006 3.372 21.576 3.728 704 1HB GLN1006 HB1 GLN1006 3.292 20.584 5.837 705 2HB GLN1006 HB2 GLN1006 3.100 19.206 4.760 706 1HG GLN1006 HG1 GLN1006 4.629 18.281 6.090 707 2HG GLN1006 HG2 GLN1006 5.759 19.161 5.065 708 1HE2 GLN1006 2HE2 GLN1006 4.159 19.075 8.152 709 2HE2 GLN1006 1HE2 GLN1006 5.216 20.184 8.961 710 H GLN1007 H GLN1007 6.389 20.274 2.912 711 HA GLN1007 HA GLN1007 8.082 21.829 4.596 712 1HB GLN1007 HB1 GLN1007 8.387 19.557 3.150 713 2HB GLN1007 HB2 GLN1007 9.081 20.724 2.035 714 1HG GLN1007 HG1 GLN1007 10.753 19.632 3.432 715 2HG GLN1007 HG2 GLN1007 10.715 21.383 3.696 716 1HE2 GLN1007 2HE2 GLN1007 8.254 19.275 4.957 717 2HE2 GLN1007 1HE2 GLN1007 8.717 19.393 6.623 718 H TYR1008 H TYR1008 7.116 21.967 1.198 719 HA TYR1008 HA TYR1008 8.463 24.406 0.607 720 1HB TYR1008 HB1 TYR1008 7.021 22.444 -0.813 721 2HB TYR1008 HB2 TYR1008 6.134 23.944 -1.045 722 HD1 TYR1008 HD1 TYR1008 9.689 24.309 -0.530 723 HD2 TYR1008 HD2 TYR1008 6.685 23.635 -3.465 724 HE1 TYR1008 HE1 TYR1008 11.284 24.932 -2.293 725 HE2 TYR1008 HE2 TYR1008 8.269 24.252 -5.248 726 HH TYR1008 HH TYR1008 11.591 24.458 -4.737 727 H VAL1009 H VAL1009 5.027 23.624 0.934 728 HA VAL1009 HA VAL1009 3.199 24.989 1.083 729 HB VAL1009 HB VAL1009 3.666 24.191 3.337 730 1HG1 VAL1009 1HG1 VAL1009 5.159 26.779 3.732 731 2HG1 VAL1009 2HG1 VAL1009 4.706 25.660 5.019 732 3HG1 VAL1009 3HG1 VAL1009 5.833 25.150 3.762 733 1HG2 VAL1009 1HG2 VAL1009 2.589 27.007 3.318 734 2HG2 VAL1009 2HG2 VAL1009 1.683 25.544 2.933 735 3HG2 VAL1009 3HG2 VAL1009 2.303 25.792 4.565 736 H MET1010 H MET1010 4.321 26.273 -0.749 737 HA MET1010 HA MET1010 4.427 29.100 0.073 738 1HB MET1010 HB1 MET1010 5.969 27.689 -2.103 739 2HB MET1010 HB2 MET1010 5.852 29.439 -1.990 740 1HG MET1010 HG1 MET1010 6.925 29.377 0.194 741 2HG MET1010 HG2 MET1010 7.022 27.619 0.100 742 1HE MET1010 HE1 MET1010 10.758 28.774 -0.331 743 2HE MET1010 HE2 MET1010 9.522 29.497 0.697 744 3HE MET1010 HE3 MET1010 9.659 27.743 0.585 745 H THR1011 H THR1011 2.039 27.823 -0.519 746 HA THR1011 HA THR1011 0.129 28.079 -1.693 747 HB THR1011 HB THR1011 1.399 30.568 -2.831 748 HG1 THR1011 HG1 THR1011 0.852 29.859 -0.254 749 1HG2 THR1011 1HG2 THR1011 -0.791 29.949 -3.778 750 2HG2 THR1011 2HG2 THR1011 -1.470 29.884 -2.152 751 3HG2 THR1011 3HG2 THR1011 -0.896 31.417 -2.808 752 H SER1012 H SER1012 1.809 29.734 -4.318 753 HA SER1012 HA SER1012 0.696 27.781 -6.136 754 1HB SER1012 HB1 SER1012 2.323 30.268 -6.714 755 2HB SER1012 HB2 SER1012 1.439 29.308 -7.904 756 HG SER1012 HG SER1012 -0.488 29.837 -6.796 757 H LEU1013 H LEU1013 3.844 28.731 -4.916 758 HA LEU1013 HA LEU1013 5.318 26.965 -6.612 759 1HB LEU1013 HB1 LEU1013 6.012 28.108 -3.903 760 2HB LEU1013 HB2 LEU1013 7.133 27.253 -4.947 761 HG LEU1013 HG LEU1013 5.788 29.877 -5.601 762 1HD1 LEU1013 1HD1 LEU1013 8.005 30.839 -5.338 763 2HD1 LEU1013 2HD1 LEU1013 7.463 30.082 -3.839 764 3HD1 LEU1013 3HD1 LEU1013 8.644 29.266 -4.862 765 1HD2 LEU1013 1HD2 LEU1013 6.215 28.536 -7.592 766 2HD2 LEU1013 2HD2 LEU1013 7.304 29.922 -7.519 767 3HD2 LEU1013 3HD2 LEU1013 7.891 28.314 -7.095 768 H GLN1014 H GLN1014 3.505 26.687 -3.702 769 HA GLN1014 HA GLN1014 4.463 24.204 -2.763 770 1HB GLN1014 HB1 GLN1014 3.073 25.803 -1.457 771 2HB GLN1014 HB2 GLN1014 1.707 25.417 -2.486 772 1HG GLN1014 HG1 GLN1014 3.033 23.191 -1.043 773 2HG GLN1014 HG2 GLN1014 2.031 24.313 -0.122 774 1HE2 GLN1014 2HE2 GLN1014 2.087 21.781 -2.438 775 2HE2 GLN1014 1HE2 GLN1014 0.381 21.584 -2.577 776 H GLN1015 H GLN1015 2.041 25.123 -5.140 777 HA GLN1015 HA GLN1015 0.695 22.721 -5.474 778 1HB GLN1015 HB1 GLN1015 0.105 24.937 -6.511 779 2HB GLN1015 HB2 GLN1015 1.371 24.647 -7.696 780 1HG GLN1015 HG1 GLN1015 0.209 22.571 -8.367 781 2HG GLN1015 HG2 GLN1015 -1.093 22.983 -7.254 782 1HE2 GLN1015 2HE2 GLN1015 -1.232 22.616 -10.110 783 2HE2 GLN1015 1HE2 GLN1015 -1.796 24.116 -10.776 784 H GLU1016 H GLU1016 3.599 23.880 -7.190 785 HA GLU1016 HA GLU1016 4.201 21.747 -8.752 786 1HB GLU1016 HB1 GLU1016 5.573 23.754 -8.694 787 2HB GLU1016 HB2 GLU1016 6.131 23.362 -7.071 788 1HG GLU1016 HG1 GLU1016 7.285 21.413 -7.898 789 2HG GLU1016 HG2 GLU1016 6.642 21.683 -9.512 790 H TYR1017 H TYR1017 4.821 21.982 -5.268 791 HA TYR1017 HA TYR1017 6.089 19.394 -5.203 792 1HB TYR1017 HB1 TYR1017 5.575 21.545 -3.245 793 2HB TYR1017 HB2 TYR1017 5.608 19.910 -2.590 794 HD1 TYR1017 HD1 TYR1017 7.637 20.296 -1.296 795 HD2 TYR1017 HD2 TYR1017 7.618 20.834 -5.521 796 HE1 TYR1017 HE1 TYR1017 10.094 20.318 -1.305 797 HE2 TYR1017 HE2 TYR1017 10.076 20.862 -5.534 798 HH TYR1017 HH TYR1017 11.923 21.376 -3.925 799 H LYS1018 H LYS1018 2.890 20.661 -4.804 800 HA LYS1018 HA LYS1018 1.706 18.373 -3.638 801 1HB LYS1018 HB1 LYS1018 0.527 20.537 -3.813 802 2HB LYS1018 HB2 LYS1018 0.478 20.367 -5.562 803 1HG LYS1018 HG1 LYS1018 -0.953 18.425 -5.371 804 2HG LYS1018 HG2 LYS1018 -0.841 18.486 -3.612 805 1HD LYS1018 HD1 LYS1018 -2.945 19.436 -4.326 806 2HD LYS1018 HD2 LYS1018 -1.924 20.708 -3.657 807 1HE LYS1018 HE1 LYS1018 -1.388 21.525 -5.833 808 2HE LYS1018 HE2 LYS1018 -2.135 20.125 -6.605 809 1HZ LYS1018 HZ1 LYS1018 -3.614 22.130 -4.987 810 2HZ LYS1018 HZ2 LYS1018 -3.524 22.151 -6.680 811 3HZ LYS1018 HZ3 LYS1018 -4.281 20.861 -5.884 812 H LYS1019 H LYS1019 2.495 19.268 -6.948 813 HA LYS1019 HA LYS1019 1.333 16.959 -8.151 814 1HB LYS1019 HB1 LYS1019 3.554 18.733 -9.181 815 2HB LYS1019 HB2 LYS1019 2.632 17.578 -10.134 816 1HG LYS1019 HG1 LYS1019 0.593 18.869 -9.714 817 2HG LYS1019 HG2 LYS1019 1.536 20.037 -8.784 818 1HD LYS1019 HD1 LYS1019 1.257 20.926 -10.979 819 2HD LYS1019 HD2 LYS1019 2.933 20.397 -10.832 820 1HE LYS1019 HE1 LYS1019 2.121 18.199 -11.875 821 2HE LYS1019 HE2 LYS1019 0.679 19.103 -12.329 822 1HZ LYS1019 HZ1 LYS1019 2.307 20.751 -13.356 823 2HZ LYS1019 HZ2 LYS1019 3.463 19.518 -13.208 824 3HZ LYS1019 HZ3 LYS1019 2.084 19.269 -14.157 825 H GLN1020 H GLN1020 4.714 17.835 -7.403 826 HA GLN1020 HA GLN1020 5.952 15.420 -7.854 827 1HB GLN1020 HB1 GLN1020 6.483 17.224 -5.486 828 2HB GLN1020 HB2 GLN1020 7.584 16.018 -6.133 829 1HG GLN1020 HG1 GLN1020 6.676 18.552 -7.469 830 2HG GLN1020 HG2 GLN1020 8.284 18.184 -6.852 831 1HE2 GLN1020 2HE2 GLN1020 7.490 18.986 -9.508 832 2HE2 GLN1020 1HE2 GLN1020 8.036 17.742 -10.576 833 H MET1021 H MET1021 4.037 16.376 -5.067 834 HA MET1021 HA MET1021 4.372 14.066 -3.514 835 1HB MET1021 HB1 MET1021 3.402 16.134 -2.637 836 2HB MET1021 HB2 MET1021 2.009 15.938 -3.692 837 1HG MET1021 HG1 MET1021 1.471 13.832 -2.509 838 2HG MET1021 HG2 MET1021 2.800 14.163 -1.395 839 1HE MET1021 HE1 MET1021 -0.673 15.387 -2.755 840 2HE MET1021 HE2 MET1021 -0.884 16.893 -1.864 841 3HE MET1021 HE3 MET1021 0.397 16.755 -3.067 842 H LEU1022 H LEU1022 1.818 14.932 -5.835 843 HA LEU1022 HA LEU1022 0.408 12.508 -5.682 844 1HB LEU1022 HB1 LEU1022 0.643 14.466 -7.970 845 2HB LEU1022 HB2 LEU1022 -0.529 13.164 -7.892 846 HG LEU1022 HG LEU1022 -0.368 15.484 -5.966 847 1HD1 LEU1022 1HD1 LEU1022 -2.338 14.890 -8.167 848 2HD1 LEU1022 2HD1 LEU1022 -2.440 16.223 -7.016 849 3HD1 LEU1022 3HD1 LEU1022 -1.119 16.164 -8.182 850 1HD2 LEU1022 1HD2 LEU1022 -2.396 13.264 -6.205 851 2HD2 LEU1022 2HD2 LEU1022 -1.220 13.459 -4.906 852 3HD2 LEU1022 3HD2 LEU1022 -2.504 14.649 -5.121 853 H THR1023 H THR1023 3.272 13.423 -7.447 854 HA THR1023 HA THR1023 3.356 11.240 -9.240 855 HB THR1023 HB THR1023 5.690 12.777 -8.078 856 HG1 THR1023 HG1 THR1023 3.965 14.034 -9.177 857 1HG2 THR1023 1HG2 THR1023 6.814 12.155 -10.180 858 2HG2 THR1023 2HG2 THR1023 6.381 10.743 -9.218 859 3HG2 THR1023 3HG2 THR1023 5.413 11.178 -10.626 860 H ALA1024 H ALA1024 4.421 11.675 -5.922 861 HA ALA1024 HA ALA1024 5.743 9.102 -5.781 862 1HB ALA1024 HB1 ALA1024 4.975 11.009 -3.571 863 2HB ALA1024 HB2 ALA1024 6.018 9.597 -3.407 864 3HB ALA1024 HB3 ALA1024 6.532 10.963 -4.398 865 H ALA1025 H ALA1025 2.718 10.575 -4.744 866 HA ALA1025 HA ALA1025 1.555 8.430 -3.410 867 1HB ALA1025 HB1 ALA1025 0.595 10.686 -3.458 868 2HB ALA1025 HB2 ALA1025 0.186 10.474 -5.160 869 3HB ALA1025 HB3 ALA1025 -0.592 9.470 -3.935 870 H HIS1026 H HIS1026 1.578 9.228 -6.860 871 HA HIS1026 HA HIS1026 0.005 7.164 -7.831 872 1HB HIS1026 HB1 HIS1026 0.796 8.970 -9.264 873 2HB HIS1026 HB2 HIS1026 2.461 8.449 -9.059 874 HD1 HIS1026 HD1 HIS1026 -0.378 8.124 -11.285 875 HD2 HIS1026 HD2 HIS1026 2.938 5.804 -10.312 876 HE1 HIS1026 HE1 HIS1026 -0.121 6.476 -13.169 877 HE2 HIS1026 HE2 HIS1026 1.969 5.173 -12.623 878 H ALA1027 H ALA1027 3.512 7.177 -7.259 879 HA ALA1027 HA ALA1027 3.975 4.571 -8.200 880 1HB ALA1027 HB1 ALA1027 5.581 6.153 -6.203 881 2HB ALA1027 HB2 ALA1027 6.138 4.747 -7.111 882 3HB ALA1027 HB3 ALA1027 5.737 6.243 -7.957 883 H LEU1028 H LEU1028 3.338 5.790 -4.927 884 HA LEU1028 HA LEU1028 3.693 3.184 -3.761 885 1HB LEU1028 HB1 LEU1028 4.201 4.829 -2.232 886 2HB LEU1028 HB2 LEU1028 2.834 5.834 -2.650 887 HG LEU1028 HG LEU1028 1.400 3.951 -1.637 888 1HD1 LEU1028 1HD1 LEU1028 2.470 2.566 0.029 889 2HD1 LEU1028 2HD1 LEU1028 3.123 2.248 -1.578 890 3HD1 LEU1028 3HD1 LEU1028 4.044 3.219 -0.427 891 1HD2 LEU1028 1HD2 LEU1028 1.643 6.103 -0.596 892 2HD2 LEU1028 2HD2 LEU1028 1.694 4.829 0.623 893 3HD2 LEU1028 3HD2 LEU1028 3.185 5.614 0.104 894 H ALA1029 H ALA1029 0.867 5.189 -4.592 895 HA ALA1029 HA ALA1029 -1.104 3.420 -3.693 896 1HB ALA1029 HB1 ALA1029 -2.611 4.516 -5.288 897 2HB ALA1029 HB2 ALA1029 -1.639 5.682 -4.389 898 3HB ALA1029 HB3 ALA1029 -1.223 5.286 -6.057 899 H VAL1030 H VAL1030 0.623 3.515 -6.788 900 HA VAL1030 HA VAL1030 -0.768 1.336 -7.923 901 HB VAL1030 HB VAL1030 1.967 2.455 -8.540 902 1HG1 VAL1030 1HG1 VAL1030 1.967 0.095 -9.147 903 2HG1 VAL1030 2HG1 VAL1030 0.454 0.307 -10.030 904 3HG1 VAL1030 3HG1 VAL1030 1.922 1.104 -10.593 905 1HG2 VAL1030 1HG2 VAL1030 -0.658 2.600 -10.024 906 2HG2 VAL1030 2HG2 VAL1030 0.075 3.903 -9.088 907 3HG2 VAL1030 3HG2 VAL1030 0.868 3.313 -10.549 908 H ASP1031 H ASP1031 2.273 1.522 -6.127 909 HA ASP1031 HA ASP1031 2.717 -1.232 -6.091 910 1HB ASP1031 HB1 ASP1031 4.384 0.491 -5.444 911 2HB ASP1031 HB2 ASP1031 3.542 0.645 -3.897 912 H ALA1032 H ALA1032 0.725 0.713 -3.869 913 HA ALA1032 HA ALA1032 -0.037 -1.308 -2.099 914 1HB ALA1032 HB1 ALA1032 -0.822 1.008 -1.908 915 2HB ALA1032 HB2 ALA1032 -1.793 0.800 -3.366 916 3HB ALA1032 HB3 ALA1032 -2.177 -0.123 -1.912 917 H LYS1033 H LYS1033 -1.252 -0.505 -5.311 918 HA LYS1033 HA LYS1033 -2.922 -2.789 -5.563 919 1HB LYS1033 HB1 LYS1033 -1.770 -0.950 -7.655 920 2HB LYS1033 HB2 LYS1033 -2.914 -2.237 -8.011 921 1HG LYS1033 HG1 LYS1033 -4.437 -1.112 -6.297 922 2HG LYS1033 HG2 LYS1033 -3.348 0.269 -6.425 923 1HD LYS1033 HD1 LYS1033 -5.264 0.509 -7.930 924 2HD LYS1033 HD2 LYS1033 -3.754 0.371 -8.835 925 1HE LYS1033 HE1 LYS1033 -4.198 -1.962 -9.290 926 2HE LYS1033 HE2 LYS1033 -5.648 -1.911 -8.289 927 1HZ LYS1033 HZ1 LYS1033 -6.074 -1.767 -10.706 928 2HZ LYS1033 HZ2 LYS1033 -6.696 -0.455 -9.835 929 3HZ LYS1033 HZ3 LYS1033 -5.271 -0.276 -10.741 930 H ASN1034 H ASN1034 0.488 -2.327 -5.996 931 HA ASN1034 HA ASN1034 0.898 -4.605 -7.676 932 1HB ASN1034 HB1 ASN1034 2.496 -2.733 -7.557 933 2HB ASN1034 HB2 ASN1034 2.814 -3.114 -5.870 934 1HD2 ASN1034 2HD2 ASN1034 4.947 -3.479 -6.144 935 2HD2 ASN1034 1HD2 ASN1034 5.579 -4.844 -7.023 936 H LEU1035 H LEU1035 1.020 -3.967 -4.203 937 HA LEU1035 HA LEU1035 1.860 -6.703 -3.636 938 1HB LEU1035 HB1 LEU1035 2.624 -4.833 -2.161 939 2HB LEU1035 HB2 LEU1035 0.948 -4.560 -1.688 940 HG LEU1035 HG LEU1035 1.202 -7.204 -1.135 941 1HD1 LEU1035 1HD1 LEU1035 3.331 -7.515 0.037 942 2HD1 LEU1035 2HD1 LEU1035 3.541 -7.291 -1.699 943 3HD1 LEU1035 3HD1 LEU1035 3.888 -5.963 -0.589 944 1HD2 LEU1035 1HD2 LEU1035 0.267 -5.542 0.343 945 2HD2 LEU1035 2HD2 LEU1035 1.447 -6.533 1.199 946 3HD2 LEU1035 3HD2 LEU1035 1.877 -4.905 0.679 947 H LEU1036 H LEU1036 -1.135 -4.951 -4.000 948 HA LEU1036 HA LEU1036 -2.685 -6.835 -2.513 949 1HB LEU1036 HB1 LEU1036 -4.659 -5.812 -3.333 950 2HB LEU1036 HB2 LEU1036 -3.526 -4.535 -2.982 951 HG LEU1036 HG LEU1036 -3.070 -4.445 -5.494 952 1HD1 LEU1036 1HD1 LEU1036 -5.632 -6.041 -5.547 953 2HD1 LEU1036 2HD1 LEU1036 -4.878 -5.253 -6.934 954 3HD1 LEU1036 3HD1 LEU1036 -4.059 -6.589 -6.126 955 1HD2 LEU1036 1HD2 LEU1036 -5.823 -3.775 -4.467 956 2HD2 LEU1036 2HD2 LEU1036 -4.375 -2.791 -4.251 957 3HD2 LEU1036 3HD2 LEU1036 -5.032 -3.054 -5.867 958 H ASP1037 H ASP1037 -1.361 -6.626 -5.613 959 HA ASP1037 HA ASP1037 -2.627 -9.012 -6.609 960 1HB ASP1037 HB1 ASP1037 -1.809 -7.387 -8.226 961 2HB ASP1037 HB2 ASP1037 -0.189 -7.474 -7.546 962 H VAL1038 H VAL1038 0.523 -8.069 -5.323 963 HA VAL1038 HA VAL1038 1.926 -10.413 -5.245 964 HB VAL1038 HB VAL1038 1.741 -8.147 -3.281 965 1HG1 VAL1038 1HG1 VAL1038 2.403 -10.079 -1.977 966 2HG1 VAL1038 2HG1 VAL1038 3.690 -10.431 -3.130 967 3HG1 VAL1038 3HG1 VAL1038 3.750 -8.956 -2.165 968 1HG2 VAL1038 1HG2 VAL1038 3.962 -7.586 -4.164 969 2HG2 VAL1038 2HG2 VAL1038 3.856 -8.962 -5.261 970 3HG2 VAL1038 3HG2 VAL1038 2.727 -7.616 -5.422 971 H ILE1039 H ILE1039 -0.098 -9.200 -2.656 972 HA ILE1039 HA ILE1039 0.296 -11.623 -1.148 973 HB ILE1039 HB ILE1039 0.584 -9.243 -0.289 974 1HG1 ILE1039 1HG1 ILE1039 -1.126 -11.155 1.283 975 2HG1 ILE1039 2HG1 ILE1039 0.632 -11.220 1.141 976 1HG2 ILE1039 1HG2 ILE1039 -1.459 -8.252 -1.021 977 2HG2 ILE1039 2HG2 ILE1039 -2.401 -9.449 -0.129 978 3HG2 ILE1039 3HG2 ILE1039 -1.417 -8.273 0.743 979 1HD1 ILE1039 1HD1 ILE1039 -0.066 -10.199 3.235 980 2HD1 ILE1039 2HD1 ILE1039 0.804 -9.050 2.216 981 3HD1 ILE1039 3HD1 ILE1039 -0.958 -8.967 2.335 982 H ASP1040 H ASP1040 -2.460 -9.907 -2.682 983 HA ASP1040 HA ASP1040 -4.329 -11.890 -2.013 984 1HB ASP1040 HB1 ASP1040 -5.112 -9.984 -3.267 985 2HB ASP1040 HB2 ASP1040 -4.069 -10.389 -4.626 986 H GLN1041 H GLN1041 -1.712 -11.904 -4.384 987 HA GLN1041 HA GLN1041 -2.397 -14.578 -5.179 988 1HB GLN1041 HB1 GLN1041 0.176 -13.048 -5.566 989 2HB GLN1041 HB2 GLN1041 -0.083 -14.690 -6.134 990 1HG GLN1041 HG1 GLN1041 -2.074 -13.740 -7.422 991 2HG GLN1041 HG2 GLN1041 -1.376 -12.155 -7.078 992 1HE2 GLN1041 2HE2 GLN1041 -0.823 -11.638 -9.149 993 2HE2 GLN1041 1HE2 GLN1041 0.407 -12.480 -10.040 994 H ALA1042 H ALA1042 -0.420 -13.079 -2.680 995 HA ALA1042 HA ALA1042 0.853 -15.301 -1.712 996 1HB ALA1042 HB1 ALA1042 -0.497 -13.199 -0.040 997 2HB ALA1042 HB2 ALA1042 0.762 -14.309 0.501 998 3HB ALA1042 HB3 ALA1042 1.126 -13.091 -0.722 999 H ARG1043 H ARG1043 -2.455 -14.234 -0.889 1000 HA ARG1043 HA ARG1043 -3.131 -16.366 0.705 1001 1HB ARG1043 HB1 ARG1043 -5.420 -15.801 0.429 1002 2HB ARG1043 HB2 ARG1043 -4.506 -14.314 0.366 1003 1HG ARG1043 HG1 ARG1043 -6.199 -14.077 -1.221 1004 2HG ARG1043 HG2 ARG1043 -4.752 -14.442 -2.160 1005 1HD ARG1043 HD1 ARG1043 -5.436 -16.636 -2.562 1006 2HD ARG1043 HD2 ARG1043 -6.628 -16.585 -1.275 1007 HE ARG1043 HE ARG1043 -8.143 -15.674 -2.722 1008 1HH1 ARG1043 2HH1 ARG1043 -5.000 -15.298 -4.210 1009 2HH1 ARG1043 1HH1 ARG1043 -5.635 -15.217 -5.824 1010 1HH2 ARG1043 2HH2 ARG1043 -8.974 -15.605 -4.850 1011 2HH2 ARG1043 1HH2 ARG1043 -7.871 -15.433 -6.194 1012 H LEU1044 H LEU1044 -3.283 -16.249 -2.841 1013 HA LEU1044 HA LEU1044 -4.171 -18.990 -2.982 1014 1HB LEU1044 HB1 LEU1044 -4.707 -17.288 -4.717 1015 2HB LEU1044 HB2 LEU1044 -3.025 -17.301 -5.189 1016 HG LEU1044 HG LEU1044 -3.230 -19.706 -5.771 1017 1HD1 LEU1044 1HD1 LEU1044 -5.075 -20.261 -4.269 1018 2HD1 LEU1044 2HD1 LEU1044 -6.159 -19.251 -5.223 1019 3HD1 LEU1044 3HD1 LEU1044 -5.452 -20.700 -5.935 1020 1HD2 LEU1044 1HD2 LEU1044 -4.486 -19.370 -7.819 1021 2HD2 LEU1044 2HD2 LEU1044 -5.231 -17.919 -7.149 1022 3HD2 LEU1044 3HD2 LEU1044 -3.496 -17.951 -7.472 1023 H LYS1045 H LYS1045 -1.109 -17.325 -3.066 1024 HA LYS1045 HA LYS1045 0.654 -19.250 -3.994 1025 1HB LYS1045 HB1 LYS1045 0.767 -16.819 -2.479 1026 2HB LYS1045 HB2 LYS1045 1.819 -17.996 -1.715 1027 1HG LYS1045 HG1 LYS1045 3.113 -16.697 -3.208 1028 2HG LYS1045 HG2 LYS1045 2.949 -18.308 -3.898 1029 1HD LYS1045 HD1 LYS1045 1.644 -17.575 -5.636 1030 2HD LYS1045 HD2 LYS1045 1.006 -16.204 -4.719 1031 1HE LYS1045 HE1 LYS1045 3.093 -15.034 -4.913 1032 2HE LYS1045 HE2 LYS1045 3.861 -16.432 -5.660 1033 1HZ LYS1045 HZ1 LYS1045 1.578 -14.987 -6.883 1034 2HZ LYS1045 HZ2 LYS1045 3.197 -14.611 -7.212 1035 3HZ LYS1045 HZ3 LYS1045 2.578 -16.146 -7.609 1036 H MET1046 H MET1046 -0.591 -18.711 -0.752 1037 HA MET1046 HA MET1046 0.754 -20.831 0.536 1038 1HB MET1046 HB1 MET1046 -0.434 -18.908 1.631 1039 2HB MET1046 HB2 MET1046 -1.952 -19.689 1.227 1040 1HG MET1046 HG1 MET1046 -1.392 -21.580 2.625 1041 2HG MET1046 HG2 MET1046 0.190 -20.877 2.969 1042 1HE MET1046 HE1 MET1046 -1.583 -21.806 5.342 1043 2HE MET1046 HE2 MET1046 -0.063 -20.940 5.571 1044 3HE MET1046 HE3 MET1046 -1.515 -20.416 6.426 1045 H ILE1047 H ILE1047 -2.464 -20.613 -0.920 1046 HA ILE1047 HA ILE1047 -3.156 -23.312 -0.548 1047 HB ILE1047 HB ILE1047 -4.224 -21.036 -2.125 1048 1HG1 ILE1047 1HG1 ILE1047 -6.282 -21.676 -0.905 1049 2HG1 ILE1047 2HG1 ILE1047 -5.417 -23.045 -0.224 1050 1HG2 ILE1047 1HG2 ILE1047 -5.936 -22.427 -3.194 1051 2HG2 ILE1047 2HG2 ILE1047 -4.319 -22.796 -3.794 1052 3HG2 ILE1047 3HG2 ILE1047 -5.098 -23.875 -2.637 1053 1HD1 ILE1047 1HD1 ILE1047 -3.886 -21.523 0.907 1054 2HD1 ILE1047 2HD1 ILE1047 -4.771 -20.152 0.241 1055 3HD1 ILE1047 3HD1 ILE1047 -5.564 -21.244 1.375 1056 H SER1048 H SER1048 -1.100 -21.768 -2.838 1057 HA SER1048 HA SER1048 -1.266 -23.635 -4.949 1058 1HB SER1048 HB1 SER1048 -0.277 -21.373 -5.185 1059 2HB SER1048 HB2 SER1048 1.069 -21.866 -4.158 1060 HG SER1048 HG SER1048 0.507 -23.463 -6.378 1061 H GLN1049 H GLN1049 0.674 -23.487 -2.010 1062 HA GLN1049 HA GLN1049 2.287 -25.756 -2.705 1063 1HB GLN1049 HB1 GLN1049 3.152 -24.035 -1.204 1064 2HB GLN1049 HB2 GLN1049 1.877 -24.378 -0.045 1065 1HG GLN1049 HG1 GLN1049 2.767 -26.634 0.264 1066 2HG GLN1049 HG2 GLN1049 4.050 -26.279 -0.889 1067 1HE2 GLN1049 2HE2 GLN1049 2.814 -25.699 2.294 1068 2HE2 GLN1049 1HE2 GLN1049 4.251 -24.972 2.937 1069 H SER1050 H SER1050 -0.659 -25.229 -0.883 1070 HA SER1050 HA SER1050 -0.670 -27.957 0.116 1071 1HB SER1050 HB1 SER1050 -1.420 -26.098 1.565 1072 2HB SER1050 HB2 SER1050 -2.732 -25.762 0.436 1073 HG SER1050 HG SER1050 -3.282 -28.090 0.835 1074 H ARG1051 H ARG1051 -1.870 -26.198 -2.537 1075 HA ARG1051 HA ARG1051 -3.097 -26.723 -4.358 1076 1HB ARG1051 HB1 ARG1051 -2.962 -29.506 -3.210 1077 2HB ARG1051 HB2 ARG1051 -3.761 -29.132 -4.730 1078 1HG ARG1051 HG1 ARG1051 -1.601 -28.235 -5.570 1079 2HG ARG1051 HG2 ARG1051 -0.842 -28.804 -4.080 1080 1HD ARG1051 HD1 ARG1051 -0.588 -30.391 -5.960 1081 2HD ARG1051 HD2 ARG1051 -1.454 -31.081 -4.587 1082 HE ARG1051 HE ARG1051 -3.490 -30.257 -6.067 1083 1HH1 ARG1051 2HH1 ARG1051 -0.590 -31.977 -7.022 1084 2HH1 ARG1051 1HH1 ARG1051 -1.365 -32.773 -8.361 1085 1HH2 ARG1051 2HH2 ARG1051 -4.510 -31.312 -7.792 1086 2HH2 ARG1051 1HH2 ARG1051 -3.590 -32.387 -8.810 1087 HA PRO1052 HA PRO1052 -7.396 -26.806 -2.994 1088 1HB PRO1052 HB1 PRO1052 -8.562 -27.203 -5.433 1089 2HB PRO1052 HB2 PRO1052 -8.016 -25.623 -4.867 1090 1HG PRO1052 HG1 PRO1052 -6.733 -27.499 -6.786 1091 2HG PRO1052 HG2 PRO1052 -6.753 -25.729 -6.787 1092 1HD PRO1052 HD1 PRO1052 -4.621 -27.255 -5.965 1093 2HD PRO1052 HD2 PRO1052 -4.926 -25.593 -5.423 1094 H HIS1053 H HIS1053 -6.871 -28.957 -5.762 1095 HA HIS1053 HA HIS1053 -6.371 -31.293 -4.398 1096 1HB HIS1053 HB1 HIS1053 -8.456 -32.587 -4.694 1097 2HB HIS1053 HB2 HIS1053 -8.656 -31.272 -3.549 1098 HD1 HIS1053 HD1 HIS1053 -10.062 -32.716 -6.598 1099 HD2 HIS1053 HD2 HIS1053 -10.194 -29.055 -4.628 1100 HE1 HIS1053 HE1 HIS1053 -12.076 -31.524 -7.512 1101 HE2 HIS1053 HE2 HIS1053 -12.256 -29.413 -6.148 Start of MODEL 10 1 1H ARG 920 H ARG 920 -8.243 -20.308 -2.248 2 HA ARG 920 HA ARG 920 -8.857 -19.204 0.333 3 1HB ARG 920 HB1 ARG 920 -6.604 -19.260 -0.922 4 2HB ARG 920 HB2 ARG 920 -7.214 -17.841 -1.766 5 1HG ARG 920 HG1 ARG 920 -5.997 -16.969 -0.015 6 2HG ARG 920 HG2 ARG 920 -7.669 -16.881 0.548 7 1HD ARG 920 HD1 ARG 920 -5.442 -18.682 1.426 8 2HD ARG 920 HD2 ARG 920 -6.542 -17.717 2.401 9 HE ARG 920 HE ARG 920 -7.217 -20.278 1.111 10 1HH1 ARG 920 2HH1 ARG 920 -7.948 -17.781 3.459 11 2HH1 ARG 920 1HH1 ARG 920 -8.971 -18.812 4.411 12 1HH2 ARG 920 2HH2 ARG 920 -8.630 -21.603 2.326 13 2HH2 ARG 920 1HH2 ARG 920 -9.373 -20.967 3.765 14 H SER 921 H SER 921 -9.569 -17.051 0.730 15 HA SER 921 HA SER 921 -11.525 -16.141 -1.278 16 1HB SER 921 HB1 SER 921 -12.373 -17.134 0.903 17 2HB SER 921 HB2 SER 921 -11.664 -15.743 1.718 18 HG SER 921 HG SER 921 -13.531 -15.504 -0.407 19 H ASN 922 H ASN 922 -8.760 -15.344 -1.147 20 HA ASN 922 HA ASN 922 -7.350 -13.548 -1.063 21 1HB ASN 922 HB1 ASN 922 -9.472 -11.542 -1.340 22 2HB ASN 922 HB2 ASN 922 -8.048 -11.811 -2.337 23 1HD2 ASN 922 2HD2 ASN 922 -8.093 -13.564 -3.835 24 2HD2 ASN 922 1HD2 ASN 922 -9.588 -14.065 -4.543 25 H ASP 923 H ASP 923 -7.570 -14.290 1.210 26 HA ASP 923 HA ASP 923 -8.937 -13.147 3.244 27 1HB ASP 923 HB1 ASP 923 -6.207 -14.386 3.084 28 2HB ASP 923 HB2 ASP 923 -6.877 -13.848 4.625 29 H LYS 924 H LYS 924 -7.416 -12.137 5.108 30 HA LYS 924 HA LYS 924 -7.495 -9.454 4.906 31 1HB LYS 924 HB1 LYS 924 -6.560 -11.250 6.778 32 2HB LYS 924 HB2 LYS 924 -5.138 -10.282 6.423 33 1HG LYS 924 HG1 LYS 924 -7.810 -9.191 7.288 34 2HG LYS 924 HG2 LYS 924 -6.413 -9.423 8.338 35 1HD LYS 924 HD1 LYS 924 -5.137 -7.885 6.834 36 2HD LYS 924 HD2 LYS 924 -6.645 -7.560 5.982 37 1HE LYS 924 HE1 LYS 924 -6.246 -7.108 8.933 38 2HE LYS 924 HE2 LYS 924 -6.016 -5.865 7.703 39 1HZ LYS 924 HZ1 LYS 924 -8.273 -5.885 7.162 40 2HZ LYS 924 HZ2 LYS 924 -8.574 -7.343 7.968 41 3HZ LYS 924 HZ3 LYS 924 -8.256 -5.928 8.855 42 H VAL 925 H VAL 925 -5.181 -11.422 3.315 43 HA VAL 925 HA VAL 925 -3.138 -9.552 2.839 44 HB VAL 925 HB VAL 925 -2.784 -10.973 0.707 45 1HG1 VAL 925 1HG1 VAL 925 -2.664 -12.190 3.469 46 2HG1 VAL 925 2HG1 VAL 925 -1.813 -12.813 2.054 47 3HG1 VAL 925 3HG1 VAL 925 -1.418 -11.216 2.692 48 1HG2 VAL 925 1HG2 VAL 925 -5.070 -11.879 0.628 49 2HG2 VAL 925 2HG2 VAL 925 -3.852 -13.152 0.719 50 3HG2 VAL 925 3HG2 VAL 925 -4.779 -12.711 2.155 51 H TYR 926 H TYR 926 -6.052 -10.373 0.794 52 HA TYR 926 HA TYR 926 -5.291 -8.241 -1.061 53 1HB TYR 926 HB1 TYR 926 -6.425 -10.141 -2.014 54 2HB TYR 926 HB2 TYR 926 -7.732 -10.043 -0.839 55 HD1 TYR 926 HD1 TYR 926 -9.699 -9.002 -1.441 56 HD2 TYR 926 HD2 TYR 926 -6.130 -8.017 -3.537 57 HE1 TYR 926 HE1 TYR 926 -10.996 -7.567 -2.962 58 HE2 TYR 926 HE2 TYR 926 -7.417 -6.582 -5.067 59 HH TYR 926 HH TYR 926 -9.697 -6.318 -5.866 60 H GLU 927 H GLU 927 -7.315 -8.787 1.702 61 HA GLU 927 HA GLU 927 -9.082 -6.635 1.542 62 1HB GLU 927 HB1 GLU 927 -7.928 -8.110 3.900 63 2HB GLU 927 HB2 GLU 927 -9.194 -6.906 4.055 64 1HG GLU 927 HG1 GLU 927 -10.618 -8.284 2.576 65 2HG GLU 927 HG2 GLU 927 -9.345 -9.507 2.561 66 H ASN 928 H ASN 928 -6.083 -6.857 3.456 67 HA ASN 928 HA ASN 928 -6.337 -4.223 4.486 68 1HB ASN 928 HB1 ASN 928 -4.989 -6.332 5.318 69 2HB ASN 928 HB2 ASN 928 -3.696 -5.601 4.374 70 1HD2 ASN 928 2HD2 ASN 928 -3.785 -6.046 7.166 71 2HD2 ASN 928 1HD2 ASN 928 -3.654 -4.504 7.940 72 H VAL 929 H VAL 929 -4.344 -5.640 1.941 73 HA VAL 929 HA VAL 929 -2.849 -3.377 1.343 74 HB VAL 929 HB VAL 929 -2.352 -5.641 0.470 75 1HG1 VAL 929 1HG1 VAL 929 -3.503 -6.455 -1.511 76 2HG1 VAL 929 2HG1 VAL 929 -4.594 -6.318 -0.132 77 3HG1 VAL 929 3HG1 VAL 929 -4.634 -5.106 -1.413 78 1HG2 VAL 929 1HG2 VAL 929 -2.620 -3.487 -1.622 79 2HG2 VAL 929 2HG2 VAL 929 -1.274 -3.696 -0.501 80 3HG2 VAL 929 3HG2 VAL 929 -1.588 -4.912 -1.740 81 H THR 930 H THR 930 -6.038 -4.341 0.101 82 HA THR 930 HA THR 930 -6.364 -2.100 -1.591 83 HB THR 930 HB THR 930 -8.539 -3.687 -0.205 84 HG1 THR 930 HG1 THR 930 -7.514 -5.215 -1.348 85 1HG2 THR 930 1HG2 THR 930 -9.338 -1.635 -1.261 86 2HG2 THR 930 2HG2 THR 930 -8.532 -2.084 -2.764 87 3HG2 THR 930 3HG2 THR 930 -9.879 -3.050 -2.161 88 H GLY 931 H GLY 931 -6.947 -2.671 1.811 89 1HA GLY 931 HA1 GLY 931 -8.205 -0.290 2.548 90 2HA GLY 931 HA2 GLY 931 -7.103 -1.198 3.575 91 H LEU 932 H LEU 932 -4.818 -0.913 1.815 92 HA LEU 932 HA LEU 932 -3.729 1.548 2.646 93 1HB LEU 932 HB1 LEU 932 -2.463 -0.504 1.925 94 2HB LEU 932 HB2 LEU 932 -2.904 -0.130 0.271 95 HG LEU 932 HG LEU 932 -0.547 0.479 0.969 96 1HD1 LEU 932 1HD1 LEU 932 -1.541 1.462 -1.026 97 2HD1 LEU 932 2HD1 LEU 932 -2.275 2.732 -0.048 98 3HD1 LEU 932 3HD1 LEU 932 -0.520 2.633 -0.191 99 1HD2 LEU 932 1HD2 LEU 932 -0.244 2.562 2.206 100 2HD2 LEU 932 2HD2 LEU 932 -1.980 2.624 2.511 101 3HD2 LEU 932 3HD2 LEU 932 -1.013 1.312 3.183 102 H VAL 933 H VAL 933 -5.096 0.485 -0.443 103 HA VAL 933 HA VAL 933 -4.861 2.891 -1.852 104 HB VAL 933 HB VAL 933 -7.104 0.871 -2.102 105 1HG1 VAL 933 1HG1 VAL 933 -7.246 1.665 -4.420 106 2HG1 VAL 933 2HG1 VAL 933 -7.573 2.954 -3.261 107 3HG1 VAL 933 3HG1 VAL 933 -6.010 2.874 -4.073 108 1HG2 VAL 933 1HG2 VAL 933 -5.723 -0.171 -3.847 109 2HG2 VAL 933 2HG2 VAL 933 -4.413 0.948 -3.469 110 3HG2 VAL 933 3HG2 VAL 933 -4.942 -0.230 -2.267 111 H LYS 934 H LYS 934 -7.433 1.706 0.254 112 HA LYS 934 HA LYS 934 -9.146 3.920 -0.036 113 1HB LYS 934 HB1 LYS 934 -8.951 2.025 2.311 114 2HB LYS 934 HB2 LYS 934 -10.322 3.059 1.916 115 1HG LYS 934 HG1 LYS 934 -9.304 0.673 0.403 116 2HG LYS 934 HG2 LYS 934 -10.885 0.902 1.158 117 1HD LYS 934 HD1 LYS 934 -11.670 2.181 -0.553 118 2HD LYS 934 HD2 LYS 934 -10.086 2.884 -0.893 119 1HE LYS 934 HE1 LYS 934 -10.570 1.543 -2.746 120 2HE LYS 934 HE2 LYS 934 -9.431 0.601 -1.778 121 1HZ LYS 934 HZ1 LYS 934 -11.285 -0.663 -0.879 122 2HZ LYS 934 HZ2 LYS 934 -12.387 0.250 -1.792 123 3HZ LYS 934 HZ3 LYS 934 -11.274 -0.760 -2.573 124 H ALA 935 H ALA 935 -6.290 3.456 1.807 125 HA ALA 935 HA ALA 935 -6.767 5.622 3.629 126 1HB ALA 935 HB1 ALA 935 -4.208 4.197 2.942 127 2HB ALA 935 HB2 ALA 935 -4.455 5.298 4.298 128 3HB ALA 935 HB3 ALA 935 -5.320 3.762 4.239 129 H VAL 936 H VAL 936 -5.155 5.217 0.502 130 HA VAL 936 HA VAL 936 -4.362 7.991 0.548 131 HB VAL 936 HB VAL 936 -2.960 6.367 -0.648 132 1HG1 VAL 936 1HG1 VAL 936 -4.680 4.907 -1.552 133 2HG1 VAL 936 2HG1 VAL 936 -5.250 6.200 -2.607 134 3HG1 VAL 936 3HG1 VAL 936 -3.643 5.514 -2.843 135 1HG2 VAL 936 1HG2 VAL 936 -4.126 8.533 -2.394 136 2HG2 VAL 936 2HG2 VAL 936 -2.806 8.704 -1.238 137 3HG2 VAL 936 3HG2 VAL 936 -2.594 7.707 -2.678 138 H ILE 937 H ILE 937 -7.122 6.161 -0.256 139 HA ILE 937 HA ILE 937 -8.537 8.197 -1.632 140 HB ILE 937 HB ILE 937 -9.578 6.052 0.235 141 1HG1 ILE 937 1HG1 ILE 937 -8.489 5.116 -1.740 142 2HG1 ILE 937 2HG1 ILE 937 -10.231 4.880 -1.848 143 1HG2 ILE 937 1HG2 ILE 937 -11.774 6.462 -0.745 144 2HG2 ILE 937 2HG2 ILE 937 -11.158 7.898 0.072 145 3HG2 ILE 937 3HG2 ILE 937 -11.107 7.797 -1.688 146 1HD1 ILE 937 1HD1 ILE 937 -10.392 6.756 -3.394 147 2HD1 ILE 937 2HD1 ILE 937 -8.653 7.016 -3.269 148 3HD1 ILE 937 3HD1 ILE 937 -9.271 5.530 -3.988 149 H GLU 938 H GLU 938 -8.180 7.355 1.807 150 HA GLU 938 HA GLU 938 -9.387 9.526 3.020 151 1HB GLU 938 HB1 GLU 938 -6.765 8.233 3.819 152 2HB GLU 938 HB2 GLU 938 -7.736 9.274 4.851 153 1HG GLU 938 HG1 GLU 938 -8.652 6.638 3.718 154 2HG GLU 938 HG2 GLU 938 -8.025 6.883 5.347 155 H MET 939 H MET 939 -6.115 9.284 1.723 156 HA MET 939 HA MET 939 -5.201 11.843 2.345 157 1HB MET 939 HB1 MET 939 -3.653 10.185 1.589 158 2HB MET 939 HB2 MET 939 -4.534 9.946 0.091 159 1HG MET 939 HG1 MET 939 -3.311 12.599 0.694 160 2HG MET 939 HG2 MET 939 -2.308 11.275 0.109 161 1HE MET 939 HE1 MET 939 -2.718 13.523 -3.067 162 2HE MET 939 HE2 MET 939 -2.558 14.052 -1.393 163 3HE MET 939 HE3 MET 939 -1.577 12.714 -1.993 164 H SER 940 H SER 940 -7.016 10.679 -0.450 165 HA SER 940 HA SER 940 -7.041 13.155 -1.829 166 1HB SER 940 HB1 SER 940 -8.978 10.840 -2.049 167 2HB SER 940 HB2 SER 940 -8.749 12.123 -3.237 168 HG SER 940 HG SER 940 -6.813 10.196 -2.430 169 H SER 941 H SER 941 -8.990 11.830 0.751 170 HA SER 941 HA SER 941 -11.194 13.667 0.309 171 1HB SER 941 HB1 SER 941 -10.606 11.930 2.728 172 2HB SER 941 HB2 SER 941 -12.148 12.677 2.313 173 HG SER 941 HG SER 941 -10.817 10.756 0.693 174 H LYS 942 H LYS 942 -8.537 13.156 2.474 175 HA LYS 942 HA LYS 942 -8.778 15.266 4.234 176 1HB LYS 942 HB1 LYS 942 -6.770 13.372 3.351 177 2HB LYS 942 HB2 LYS 942 -6.056 14.919 3.779 178 1HG LYS 942 HG1 LYS 942 -7.996 13.594 5.621 179 2HG LYS 942 HG2 LYS 942 -6.297 13.105 5.587 180 1HD LYS 942 HD1 LYS 942 -5.587 15.331 6.073 181 2HD LYS 942 HD2 LYS 942 -7.237 15.935 5.924 182 1HE LYS 942 HE1 LYS 942 -6.383 15.615 8.291 183 2HE LYS 942 HE2 LYS 942 -7.920 14.840 7.914 184 1HZ LYS 942 HZ1 LYS 942 -6.237 13.476 9.192 185 2HZ LYS 942 HZ2 LYS 942 -6.909 12.738 7.823 186 3HZ LYS 942 HZ3 LYS 942 -5.345 13.384 7.760 187 H ILE 943 H ILE 943 -7.256 15.183 1.027 188 HA ILE 943 HA ILE 943 -6.216 17.822 1.297 189 HB ILE 943 HB ILE 943 -5.171 16.135 -0.195 190 1HG1 ILE 943 1HG1 ILE 943 -6.077 18.649 -1.608 191 2HG1 ILE 943 2HG1 ILE 943 -4.719 18.534 -0.494 192 1HG2 ILE 943 1HG2 ILE 943 -6.122 15.698 -2.399 193 2HG2 ILE 943 2HG2 ILE 943 -7.181 15.125 -1.109 194 3HG2 ILE 943 3HG2 ILE 943 -7.559 16.622 -1.962 195 1HD1 ILE 943 1HD1 ILE 943 -4.958 17.157 -3.158 196 2HD1 ILE 943 2HD1 ILE 943 -3.947 18.551 -2.779 197 3HD1 ILE 943 3HD1 ILE 943 -3.608 16.990 -2.035 198 H GLN 944 H GLN 944 -9.263 16.511 0.289 199 HA GLN 944 HA GLN 944 -10.215 18.494 -1.389 200 1HB GLN 944 HB1 GLN 944 -11.711 16.856 0.650 201 2HB GLN 944 HB2 GLN 944 -12.505 17.932 -0.487 202 1HG GLN 944 HG1 GLN 944 -10.883 15.484 -1.121 203 2HG GLN 944 HG2 GLN 944 -12.616 15.702 -1.322 204 1HE2 GLN 944 2HE2 GLN 944 -9.517 16.243 -2.615 205 2HE2 GLN 944 1HE2 GLN 944 -10.008 16.928 -4.131 206 HA PRO 945 HA PRO 945 -11.631 21.327 1.994 207 1HB PRO 945 HB1 PRO 945 -12.236 20.534 4.466 208 2HB PRO 945 HB2 PRO 945 -13.221 20.057 3.079 209 1HG PRO 945 HG1 PRO 945 -11.361 18.440 4.704 210 2HG PRO 945 HG2 PRO 945 -12.738 17.922 3.717 211 1HD PRO 945 HD1 PRO 945 -9.931 17.938 3.025 212 2HD PRO 945 HD2 PRO 945 -11.299 17.329 2.072 213 H ALA 946 H ALA 946 -8.758 19.720 2.710 214 HA ALA 946 HA ALA 946 -8.133 21.556 4.927 215 1HB ALA 946 HB1 ALA 946 -7.018 18.810 4.421 216 2HB ALA 946 HB2 ALA 946 -6.626 19.860 5.782 217 3HB ALA 946 HB3 ALA 946 -8.261 19.224 5.603 218 HA PRO 947 HA PRO 947 -4.760 23.201 2.585 219 1HB PRO 947 HB1 PRO 947 -3.495 24.141 4.995 220 2HB PRO 947 HB2 PRO 947 -4.514 25.044 3.874 221 1HG PRO 947 HG1 PRO 947 -5.225 24.440 6.452 222 2HG PRO 947 HG2 PRO 947 -6.385 24.748 5.147 223 1HD PRO 947 HD1 PRO 947 -5.417 22.133 6.245 224 2HD PRO 947 HD2 PRO 947 -7.067 22.626 5.798 225 HA PRO 948 HA PRO 948 -0.835 21.049 2.524 226 1HB PRO 948 HB1 PRO 948 0.518 23.388 3.794 227 2HB PRO 948 HB2 PRO 948 0.978 22.466 2.358 228 1HG PRO 948 HG1 PRO 948 -0.164 24.846 2.108 229 2HG PRO 948 HG2 PRO 948 -0.597 23.517 1.017 230 1HD PRO 948 HD1 PRO 948 -2.127 24.674 3.296 231 2HD PRO 948 HD2 PRO 948 -2.719 23.990 1.770 232 H GLU 949 H GLU 949 -1.366 22.784 5.583 233 HA GLU 949 HA GLU 949 0.335 21.329 7.222 234 1HB GLU 949 HB1 GLU 949 -2.322 22.622 7.735 235 2HB GLU 949 HB2 GLU 949 -1.501 21.726 9.004 236 1HG GLU 949 HG1 GLU 949 0.462 23.207 8.713 237 2HG GLU 949 HG2 GLU 949 -0.468 24.143 7.545 238 H GLU 950 H GLU 950 -2.721 20.421 5.806 239 HA GLU 950 HA GLU 950 -2.699 17.914 7.299 240 1HB GLU 950 HB1 GLU 950 -4.764 18.989 5.385 241 2HB GLU 950 HB2 GLU 950 -4.895 17.500 6.315 242 1HG GLU 950 HG1 GLU 950 -4.687 20.271 7.481 243 2HG GLU 950 HG2 GLU 950 -6.176 19.348 7.295 244 H TYR 951 H TYR 951 -1.471 19.131 4.430 245 HA TYR 951 HA TYR 951 -1.727 16.982 2.658 246 1HB TYR 951 HB1 TYR 951 0.528 18.936 3.103 247 2HB TYR 951 HB2 TYR 951 0.682 17.641 1.930 248 HD1 TYR 951 HD1 TYR 951 -2.684 18.532 1.859 249 HD2 TYR 951 HD2 TYR 951 1.157 19.952 0.705 250 HE1 TYR 951 HE1 TYR 951 -3.724 19.936 0.126 251 HE2 TYR 951 HE2 TYR 951 0.134 21.359 -1.016 252 HH TYR 951 HH TYR 951 -3.205 21.970 -1.166 253 H VAL 952 H VAL 952 0.488 17.503 5.384 254 HA VAL 952 HA VAL 952 1.618 14.891 4.981 255 HB VAL 952 HB VAL 952 3.235 16.151 5.927 256 1HG1 VAL 952 1HG1 VAL 952 1.952 18.120 6.473 257 2HG1 VAL 952 2HG1 VAL 952 1.244 17.311 7.870 258 3HG1 VAL 952 3HG1 VAL 952 2.969 17.679 7.843 259 1HG2 VAL 952 1HG2 VAL 952 3.628 15.421 8.250 260 2HG2 VAL 952 2HG2 VAL 952 1.971 14.818 8.315 261 3HG2 VAL 952 3HG2 VAL 952 3.124 14.103 7.190 262 HA PRO 953 HA PRO 953 -1.263 13.643 8.830 263 1HB PRO 953 HB1 PRO 953 -3.448 15.458 7.941 264 2HB PRO 953 HB2 PRO 953 -3.110 14.813 9.557 265 1HG PRO 953 HG1 PRO 953 -2.437 17.302 8.982 266 2HG PRO 953 HG2 PRO 953 -1.333 16.270 9.913 267 1HD PRO 953 HD1 PRO 953 -1.182 17.114 7.056 268 2HD PRO 953 HD2 PRO 953 0.124 16.845 8.226 269 H MET 954 H MET 954 -2.287 14.599 5.553 270 HA MET 954 HA MET 954 -4.181 12.462 5.412 271 1HB MET 954 HB1 MET 954 -4.472 12.980 3.105 272 2HB MET 954 HB2 MET 954 -4.314 14.501 3.965 273 1HG MET 954 HG1 MET 954 -1.959 14.614 3.242 274 2HG MET 954 HG2 MET 954 -2.214 13.143 2.303 275 1HE MET 954 HE1 MET 954 -4.829 16.048 2.828 276 2HE MET 954 HE2 MET 954 -3.268 16.867 2.814 277 3HE MET 954 HE3 MET 954 -4.407 17.114 1.489 278 H VAL 955 H VAL 955 -0.809 12.902 4.410 279 HA VAL 955 HA VAL 955 -0.496 10.307 3.427 280 HB VAL 955 HB VAL 955 1.209 12.346 3.458 281 1HG1 VAL 955 1HG1 VAL 955 2.257 10.592 5.672 282 2HG1 VAL 955 2HG1 VAL 955 3.100 11.942 4.911 283 3HG1 VAL 955 3HG1 VAL 955 1.650 12.236 5.869 284 1HG2 VAL 955 1HG2 VAL 955 1.327 10.386 2.060 285 2HG2 VAL 955 2HG2 VAL 955 2.915 10.724 2.749 286 3HG2 VAL 955 3HG2 VAL 955 1.923 9.424 3.411 287 H LYS 956 H LYS 956 -0.667 11.506 6.696 288 HA LYS 956 HA LYS 956 0.344 9.330 8.128 289 1HB LYS 956 HB1 LYS 956 -0.395 11.137 9.449 290 2HB LYS 956 HB2 LYS 956 -1.945 11.214 8.619 291 1HG LYS 956 HG1 LYS 956 -2.602 9.101 9.685 292 2HG LYS 956 HG2 LYS 956 -1.074 9.091 10.564 293 1HD LYS 956 HD1 LYS 956 -1.676 10.887 11.893 294 2HD LYS 956 HD2 LYS 956 -2.870 11.472 10.734 295 1HE LYS 956 HE1 LYS 956 -3.207 8.850 12.158 296 2HE LYS 956 HE2 LYS 956 -3.731 10.369 12.884 297 1HZ LYS 956 HZ1 LYS 956 -5.304 10.708 11.207 298 2HZ LYS 956 HZ2 LYS 956 -4.617 9.563 10.167 299 3HZ LYS 956 HZ3 LYS 956 -5.446 9.061 11.560 300 H GLU 957 H GLU 957 -2.785 9.869 6.679 301 HA GLU 957 HA GLU 957 -4.098 7.574 7.418 302 1HB GLU 957 HB1 GLU 957 -4.412 8.796 4.675 303 2HB GLU 957 HB2 GLU 957 -5.637 7.999 5.650 304 1HG GLU 957 HG1 GLU 957 -4.364 10.672 6.198 305 2HG GLU 957 HG2 GLU 957 -6.000 10.380 5.617 306 H VAL 958 H VAL 958 -2.079 8.049 4.475 307 HA VAL 958 HA VAL 958 -2.350 5.308 3.704 308 HB VAL 958 HB VAL 958 -0.840 5.726 1.920 309 1HG1 VAL 958 1HG1 VAL 958 -2.422 8.237 2.445 310 2HG1 VAL 958 2HG1 VAL 958 -1.780 7.721 0.884 311 3HG1 VAL 958 3HG1 VAL 958 -3.022 6.761 1.687 312 1HG2 VAL 958 1HG2 VAL 958 -0.005 8.244 3.360 313 2HG2 VAL 958 2HG2 VAL 958 0.973 6.798 3.109 314 3HG2 VAL 958 3HG2 VAL 958 0.489 7.785 1.731 315 H GLY 959 H GLY 959 -0.046 7.021 5.731 316 1HA GLY 959 HA1 GLY 959 2.035 5.069 5.458 317 2HA GLY 959 HA2 GLY 959 1.959 6.342 6.667 318 H LEU 960 H LEU 960 -0.258 5.762 8.107 319 HA LEU 960 HA LEU 960 0.363 3.458 9.594 320 1HB LEU 960 HB1 LEU 960 -2.054 5.226 9.456 321 2HB LEU 960 HB2 LEU 960 -2.102 3.753 10.404 322 HG LEU 960 HG LEU 960 -0.169 4.582 11.731 323 1HD1 LEU 960 1HD1 LEU 960 -0.606 7.144 10.207 324 2HD1 LEU 960 2HD1 LEU 960 0.467 6.926 11.590 325 3HD1 LEU 960 3HD1 LEU 960 0.801 6.089 10.074 326 1HD2 LEU 960 1HD2 LEU 960 -2.457 4.877 12.512 327 2HD2 LEU 960 2HD2 LEU 960 -1.438 6.232 12.998 328 3HD2 LEU 960 3HD2 LEU 960 -2.561 6.410 11.649 329 H ALA 961 H ALA 961 -1.635 3.944 6.825 330 HA ALA 961 HA ALA 961 -3.027 1.526 6.832 331 1HB ALA 961 HB1 ALA 961 -3.558 3.356 5.316 332 2HB ALA 961 HB2 ALA 961 -2.067 3.048 4.426 333 3HB ALA 961 HB3 ALA 961 -3.344 1.832 4.456 334 H LEU 962 H LEU 962 0.139 2.234 5.170 335 HA LEU 962 HA LEU 962 0.437 -0.472 4.408 336 1HB LEU 962 HB1 LEU 962 1.579 1.288 3.230 337 2HB LEU 962 HB2 LEU 962 2.458 1.754 4.674 338 HG LEU 962 HG LEU 962 3.725 0.480 2.862 339 1HD1 LEU 962 1HD1 LEU 962 4.638 0.796 5.095 340 2HD1 LEU 962 2HD1 LEU 962 3.766 -0.627 5.663 341 3HD1 LEU 962 3HD1 LEU 962 5.047 -0.800 4.464 342 1HD2 LEU 962 1HD2 LEU 962 3.533 -1.945 2.884 343 2HD2 LEU 962 2HD2 LEU 962 2.201 -1.839 4.035 344 3HD2 LEU 962 3HD2 LEU 962 2.011 -1.195 2.405 345 H ARG 963 H ARG 963 1.388 1.279 7.352 346 HA ARG 963 HA ARG 963 2.857 -0.824 8.492 347 1HB ARG 963 HB1 ARG 963 2.933 1.373 9.472 348 2HB ARG 963 HB2 ARG 963 1.204 1.346 9.791 349 1HG ARG 963 HG1 ARG 963 1.434 -0.223 11.517 350 2HG ARG 963 HG2 ARG 963 3.067 -0.661 11.015 351 1HD ARG 963 HD1 ARG 963 2.269 2.038 12.098 352 2HD ARG 963 HD2 ARG 963 2.993 0.746 13.055 353 HE ARG 963 HE ARG 963 4.329 2.491 11.195 354 1HH1 ARG 963 2HH1 ARG 963 4.472 -0.589 12.869 355 2HH1 ARG 963 1HH1 ARG 963 6.193 -0.754 12.674 356 1HH2 ARG 963 2HH2 ARG 963 6.596 2.310 11.010 357 2HH2 ARG 963 1HH2 ARG 963 7.401 0.911 11.663 358 H THR 964 H THR 964 -0.606 -0.027 8.894 359 HA THR 964 HA THR 964 -1.368 -2.360 10.223 360 HB THR 964 HB THR 964 -2.997 -0.887 8.133 361 HG1 THR 964 HG1 THR 964 -2.472 0.620 9.643 362 1HG2 THR 964 1HG2 THR 964 -4.928 -1.709 9.400 363 2HG2 THR 964 2HG2 THR 964 -3.962 -3.047 8.777 364 3HG2 THR 964 3HG2 THR 964 -3.848 -2.595 10.478 365 H LEU 965 H LEU 965 -0.892 -1.750 6.802 366 HA LEU 965 HA LEU 965 -1.730 -4.220 5.762 367 1HB LEU 965 HB1 LEU 965 -0.750 -1.890 4.732 368 2HB LEU 965 HB2 LEU 965 0.603 -2.970 4.476 369 HG LEU 965 HG LEU 965 -2.194 -3.307 3.406 370 1HD1 LEU 965 1HD1 LEU 965 0.451 -2.717 2.091 371 2HD1 LEU 965 2HD1 LEU 965 -1.042 -3.087 1.230 372 3HD1 LEU 965 3HD1 LEU 965 -0.936 -1.634 2.224 373 1HD2 LEU 965 1HD2 LEU 965 0.205 -5.101 3.058 374 2HD2 LEU 965 2HD2 LEU 965 -1.225 -5.474 4.020 375 3HD2 LEU 965 3HD2 LEU 965 -1.361 -5.290 2.270 376 H LEU 966 H LEU 966 1.379 -3.098 6.939 377 HA LEU 966 HA LEU 966 2.976 -5.302 6.601 378 1HB LEU 966 HB1 LEU 966 3.744 -3.178 7.549 379 2HB LEU 966 HB2 LEU 966 2.880 -3.523 9.034 380 HG LEU 966 HG LEU 966 4.350 -5.512 9.359 381 1HD1 LEU 966 1HD1 LEU 966 5.014 -5.895 7.066 382 2HD1 LEU 966 2HD1 LEU 966 5.831 -4.331 7.014 383 3HD1 LEU 966 3HD1 LEU 966 6.436 -5.613 8.067 384 1HD2 LEU 966 1HD2 LEU 966 4.791 -3.417 10.509 385 2HD2 LEU 966 2HD2 LEU 966 6.300 -4.217 10.069 386 3HD2 LEU 966 3HD2 LEU 966 5.724 -2.838 9.131 387 H ALA 967 H ALA 967 0.447 -4.898 9.054 388 HA ALA 967 HA ALA 967 0.990 -7.253 10.514 389 1HB ALA 967 HB1 ALA 967 -1.306 -7.134 11.292 390 2HB ALA 967 HB2 ALA 967 -0.593 -5.521 11.271 391 3HB ALA 967 HB3 ALA 967 -1.710 -6.005 9.997 392 H THR 968 H THR 968 -1.044 -6.652 7.703 393 HA THR 968 HA THR 968 -1.779 -9.323 7.168 394 HB THR 968 HB THR 968 -1.550 -6.860 5.482 395 HG1 THR 968 HG1 THR 968 -3.900 -8.147 5.442 396 1HG2 THR 968 1HG2 THR 968 -0.908 -8.660 3.983 397 2HG2 THR 968 2HG2 THR 968 -2.308 -9.605 4.487 398 3HG2 THR 968 3HG2 THR 968 -2.536 -8.098 3.598 399 H VAL 969 H VAL 969 1.013 -7.422 6.103 400 HA VAL 969 HA VAL 969 2.314 -9.278 4.556 401 HB VAL 969 HB VAL 969 3.569 -7.344 6.512 402 1HG1 VAL 969 1HG1 VAL 969 5.180 -9.067 5.936 403 2HG1 VAL 969 2HG1 VAL 969 4.838 -8.842 4.221 404 3HG1 VAL 969 3HG1 VAL 969 5.604 -7.549 5.145 405 1HG2 VAL 969 1HG2 VAL 969 3.882 -5.939 4.525 406 2HG2 VAL 969 2HG2 VAL 969 3.027 -7.135 3.552 407 3HG2 VAL 969 3HG2 VAL 969 2.177 -6.270 4.833 408 H ASP 970 H ASP 970 1.948 -9.284 8.035 409 HA ASP 970 HA ASP 970 3.840 -11.402 8.480 410 1HB ASP 970 HB1 ASP 970 3.171 -9.715 10.221 411 2HB ASP 970 HB2 ASP 970 1.590 -10.483 10.284 412 H GLU 971 H GLU 971 0.475 -11.226 7.705 413 HA GLU 971 HA GLU 971 -0.166 -13.975 8.118 414 1HB GLU 971 HB1 GLU 971 -1.268 -12.139 5.980 415 2HB GLU 971 HB2 GLU 971 -2.021 -13.604 6.598 416 1HG GLU 971 HG1 GLU 971 -1.446 -11.188 8.281 417 2HG GLU 971 HG2 GLU 971 -2.981 -11.476 7.455 418 H SER 972 H SER 972 0.794 -12.177 5.237 419 HA SER 972 HA SER 972 1.262 -14.378 3.599 420 1HB SER 972 HB1 SER 972 2.546 -12.694 2.245 421 2HB SER 972 HB2 SER 972 0.885 -12.235 2.643 422 HG SER 972 HG SER 972 2.999 -11.439 4.327 423 H LEU 973 H LEU 973 3.107 -13.018 6.179 424 HA LEU 973 HA LEU 973 5.710 -13.693 5.495 425 1HB LEU 973 HB1 LEU 973 5.193 -12.371 7.458 426 2HB LEU 973 HB2 LEU 973 4.392 -13.734 8.210 427 HG LEU 973 HG LEU 973 6.680 -14.903 8.109 428 1HD1 LEU 973 1HD1 LEU 973 7.744 -13.358 6.558 429 2HD1 LEU 973 2HD1 LEU 973 7.553 -12.047 7.722 430 3HD1 LEU 973 3HD1 LEU 973 8.607 -13.411 8.094 431 1HD2 LEU 973 1HD2 LEU 973 5.636 -14.119 10.167 432 2HD2 LEU 973 2HD2 LEU 973 7.378 -13.847 10.198 433 3HD2 LEU 973 3HD2 LEU 973 6.280 -12.502 9.887 434 HA PRO 974 HA PRO 974 5.197 -18.201 7.206 435 1HB PRO 974 HB1 PRO 974 2.607 -19.102 7.468 436 2HB PRO 974 HB2 PRO 974 3.617 -18.565 8.814 437 1HG PRO 974 HG1 PRO 974 1.497 -17.087 7.324 438 2HG PRO 974 HG2 PRO 974 1.859 -17.088 9.061 439 1HD PRO 974 HD1 PRO 974 2.608 -15.066 7.457 440 2HD PRO 974 HD2 PRO 974 3.604 -15.592 8.826 441 H VAL 975 H VAL 975 2.964 -16.595 5.086 442 HA VAL 975 HA VAL 975 2.685 -18.830 3.272 443 HB VAL 975 HB VAL 975 2.215 -15.898 2.738 444 1HG1 VAL 975 1HG1 VAL 975 2.480 -17.190 0.698 445 2HG1 VAL 975 2HG1 VAL 975 1.284 -18.357 1.263 446 3HG1 VAL 975 3HG1 VAL 975 0.799 -16.700 0.904 447 1HG2 VAL 975 1HG2 VAL 975 -0.156 -16.432 3.138 448 2HG2 VAL 975 2HG2 VAL 975 0.310 -18.063 3.621 449 3HG2 VAL 975 3HG2 VAL 975 0.836 -16.676 4.575 450 H LEU 976 H LEU 976 5.185 -16.519 3.834 451 HA LEU 976 HA LEU 976 6.175 -16.632 1.167 452 1HB LEU 976 HB1 LEU 976 7.919 -15.219 1.747 453 2HB LEU 976 HB2 LEU 976 6.555 -14.681 2.688 454 HG LEU 976 HG LEU 976 7.676 -16.077 4.599 455 1HD1 LEU 976 1HD1 LEU 976 10.025 -15.515 2.791 456 2HD1 LEU 976 2HD1 LEU 976 10.119 -16.074 4.462 457 3HD1 LEU 976 3HD1 LEU 976 9.409 -17.111 3.223 458 1HD2 LEU 976 1HD2 LEU 976 8.930 -14.087 5.256 459 2HD2 LEU 976 2HD2 LEU 976 8.781 -13.453 3.617 460 3HD2 LEU 976 3HD2 LEU 976 7.341 -13.668 4.612 461 HA PRO 977 HA PRO 977 9.271 -19.922 2.848 462 1HB PRO 977 HB1 PRO 977 8.228 -21.498 4.845 463 2HB PRO 977 HB2 PRO 977 9.416 -20.217 5.111 464 1HG PRO 977 HG1 PRO 977 6.459 -20.176 5.501 465 2HG PRO 977 HG2 PRO 977 7.737 -19.436 6.485 466 1HD PRO 977 HD1 PRO 977 6.232 -18.004 4.768 467 2HD PRO 977 HD2 PRO 977 7.931 -17.613 5.090 468 H ALA 978 H ALA 978 5.773 -20.144 3.080 469 HA ALA 978 HA ALA 978 5.477 -22.681 1.885 470 1HB ALA 978 HB1 ALA 978 3.642 -21.533 3.034 471 2HB ALA 978 HB2 ALA 978 3.604 -20.318 1.756 472 3HB ALA 978 HB3 ALA 978 3.191 -21.993 1.391 473 H SER 979 H SER 979 5.184 -19.428 0.378 474 HA SER 979 HA SER 979 6.437 -20.363 -2.038 475 1HB SER 979 HB1 SER 979 3.460 -19.821 -2.001 476 2HB SER 979 HB2 SER 979 4.424 -19.912 -3.479 477 HG SER 979 HG SER 979 4.899 -22.057 -1.899 478 H THR 980 H THR 980 4.404 -17.814 -0.621 479 HA THR 980 HA THR 980 4.602 -15.972 -2.693 480 HB THR 980 HB THR 980 2.949 -15.969 -0.753 481 HG1 THR 980 HG1 THR 980 4.124 -13.795 -2.072 482 1HG2 THR 980 1HG2 THR 980 4.596 -15.797 1.070 483 2HG2 THR 980 2HG2 THR 980 5.092 -14.220 0.456 484 3HG2 THR 980 3HG2 THR 980 3.457 -14.450 1.076 485 H HIS 981 H HIS 981 7.176 -16.721 -0.615 486 HA HIS 981 HA HIS 981 8.193 -14.288 0.184 487 1HB HIS 981 HB1 HIS 981 10.375 -15.348 0.368 488 2HB HIS 981 HB2 HIS 981 9.119 -16.452 0.909 489 HD1 HIS 981 HD1 HIS 981 8.983 -18.689 -0.231 490 HD2 HIS 981 HD2 HIS 981 11.531 -16.051 -2.185 491 HE1 HIS 981 HE1 HIS 981 10.125 -20.044 -2.012 492 HE2 HIS 981 HE2 HIS 981 11.799 -18.476 -3.050 493 H ARG 982 H ARG 982 8.150 -15.474 -3.068 494 HA ARG 982 HA ARG 982 10.372 -13.799 -3.887 495 1HB ARG 982 HB1 ARG 982 9.883 -15.908 -5.086 496 2HB ARG 982 HB2 ARG 982 8.357 -15.225 -5.629 497 1HG ARG 982 HG1 ARG 982 10.011 -15.091 -7.385 498 2HG ARG 982 HG2 ARG 982 9.573 -13.474 -6.836 499 1HD ARG 982 HD1 ARG 982 11.992 -14.947 -5.814 500 2HD ARG 982 HD2 ARG 982 12.042 -13.911 -7.237 501 HE ARG 982 HE ARG 982 11.188 -12.122 -5.624 502 1HH1 ARG 982 2HH1 ARG 982 13.286 -14.762 -4.667 503 2HH1 ARG 982 1HH1 ARG 982 14.017 -13.871 -3.366 504 1HH2 ARG 982 2HH2 ARG 982 12.171 -10.937 -3.944 505 2HH2 ARG 982 1HH2 ARG 982 13.387 -11.697 -2.953 506 H GLU 983 H GLU 983 6.849 -13.816 -4.439 507 HA GLU 983 HA GLU 983 6.867 -11.223 -5.613 508 1HB GLU 983 HB1 GLU 983 5.015 -13.165 -5.601 509 2HB GLU 983 HB2 GLU 983 4.389 -12.166 -4.297 510 1HG GLU 983 HG1 GLU 983 3.343 -11.140 -6.027 511 2HG GLU 983 HG2 GLU 983 4.871 -10.242 -6.069 512 H ILE 984 H ILE 984 6.207 -12.446 -2.364 513 HA ILE 984 HA ILE 984 5.000 -10.152 -1.357 514 HB ILE 984 HB ILE 984 5.168 -12.475 -0.271 515 1HG1 ILE 984 1HG1 ILE 984 4.109 -10.406 0.730 516 2HG1 ILE 984 2HG1 ILE 984 4.636 -11.627 1.878 517 1HG2 ILE 984 1HG2 ILE 984 7.697 -11.285 0.849 518 2HG2 ILE 984 2HG2 ILE 984 6.912 -12.755 1.425 519 3HG2 ILE 984 3HG2 ILE 984 7.578 -12.692 -0.207 520 1HD1 ILE 984 1HD1 ILE 984 6.615 -10.304 2.382 521 2HD1 ILE 984 2HD1 ILE 984 6.102 -9.084 1.217 522 3HD1 ILE 984 3HD1 ILE 984 5.136 -9.386 2.662 523 H GLU 985 H GLU 985 8.392 -11.022 -1.655 524 HA GLU 985 HA GLU 985 9.297 -8.756 -0.172 525 1HB GLU 985 HB1 GLU 985 10.769 -10.672 -1.971 526 2HB GLU 985 HB2 GLU 985 11.552 -9.366 -1.091 527 1HG GLU 985 HG1 GLU 985 10.556 -10.366 1.009 528 2HG GLU 985 HG2 GLU 985 10.143 -11.768 0.025 529 H MET 986 H MET 986 8.597 -9.337 -3.594 530 HA MET 986 HA MET 986 10.101 -7.155 -4.545 531 1HB MET 986 HB1 MET 986 9.048 -7.355 -6.632 532 2HB MET 986 HB2 MET 986 9.166 -8.985 -5.995 533 1HG MET 986 HG1 MET 986 6.863 -9.066 -5.517 534 2HG MET 986 HG2 MET 986 6.676 -7.328 -5.756 535 1HE MET 986 HE1 MET 986 8.821 -9.738 -8.012 536 2HE MET 986 HE2 MET 986 7.474 -10.759 -7.507 537 3HE MET 986 HE3 MET 986 7.620 -10.266 -9.193 538 H ALA 987 H ALA 987 6.671 -7.343 -3.654 539 HA ALA 987 HA ALA 987 6.288 -4.545 -4.114 540 1HB ALA 987 HB1 ALA 987 4.484 -6.563 -2.801 541 2HB ALA 987 HB2 ALA 987 4.037 -4.919 -3.258 542 3HB ALA 987 HB3 ALA 987 4.465 -6.094 -4.501 543 H GLN 988 H GLN 988 6.750 -6.651 -1.296 544 HA GLN 988 HA GLN 988 6.120 -4.770 0.659 545 1HB GLN 988 HB1 GLN 988 6.387 -6.989 1.409 546 2HB GLN 988 HB2 GLN 988 7.959 -7.157 0.648 547 1HG GLN 988 HG1 GLN 988 8.450 -7.052 2.906 548 2HG GLN 988 HG2 GLN 988 8.763 -5.416 2.339 549 1HE2 GLN 988 2HE2 GLN 988 5.922 -4.722 2.220 550 2HE2 GLN 988 1HE2 GLN 988 5.418 -4.519 3.858 551 H LYS 989 H LYS 989 9.273 -5.508 -0.825 552 HA LYS 989 HA LYS 989 10.791 -3.545 0.504 553 1HB LYS 989 HB1 LYS 989 11.849 -5.319 -0.801 554 2HB LYS 989 HB2 LYS 989 11.111 -4.710 -2.277 555 1HG LYS 989 HG1 LYS 989 12.393 -2.573 -1.884 556 2HG LYS 989 HG2 LYS 989 13.279 -3.440 -0.629 557 1HD LYS 989 HD1 LYS 989 14.051 -5.060 -2.249 558 2HD LYS 989 HD2 LYS 989 13.088 -4.293 -3.514 559 1HE LYS 989 HE1 LYS 989 15.344 -2.994 -1.996 560 2HE LYS 989 HE2 LYS 989 15.462 -3.658 -3.623 561 1HZ LYS 989 HZ1 LYS 989 13.629 -1.447 -2.847 562 2HZ LYS 989 HZ2 LYS 989 15.146 -1.225 -3.564 563 3HZ LYS 989 HZ3 LYS 989 13.916 -2.020 -4.415 564 H LEU 990 H LEU 990 8.713 -3.493 -2.274 565 HA LEU 990 HA LEU 990 9.423 -0.939 -3.260 566 1HB LEU 990 HB1 LEU 990 8.426 -2.087 -4.916 567 2HB LEU 990 HB2 LEU 990 7.490 -3.064 -3.811 568 HG LEU 990 HG LEU 990 5.892 -1.175 -3.591 569 1HD1 LEU 990 1HD1 LEU 990 5.941 0.599 -5.275 570 2HD1 LEU 990 2HD1 LEU 990 7.407 0.636 -4.294 571 3HD1 LEU 990 3HD1 LEU 990 7.452 -0.044 -5.920 572 1HD2 LEU 990 1HD2 LEU 990 4.846 -1.551 -5.780 573 2HD2 LEU 990 2HD2 LEU 990 6.341 -2.296 -6.346 574 3HD2 LEU 990 3HD2 LEU 990 5.422 -3.044 -5.038 575 H LEU 991 H LEU 991 6.850 -2.093 -1.101 576 HA LEU 991 HA LEU 991 5.323 0.256 -0.940 577 1HB LEU 991 HB1 LEU 991 5.800 -1.695 1.306 578 2HB LEU 991 HB2 LEU 991 4.427 -0.627 1.109 579 HG LEU 991 HG LEU 991 4.897 -2.618 -1.028 580 1HD1 LEU 991 1HD1 LEU 991 5.332 -3.837 1.079 581 2HD1 LEU 991 2HD1 LEU 991 3.755 -3.318 1.677 582 3HD1 LEU 991 3HD1 LEU 991 3.858 -4.382 0.273 583 1HD2 LEU 991 1HD2 LEU 991 2.999 -1.033 -1.076 584 2HD2 LEU 991 2HD2 LEU 991 2.453 -2.700 -0.977 585 3HD2 LEU 991 3HD2 LEU 991 2.433 -1.677 0.459 586 H ASN 992 H ASN 992 7.862 -0.997 1.201 587 HA ASN 992 HA ASN 992 7.641 1.029 3.101 588 1HB ASN 992 HB1 ASN 992 9.906 -0.854 2.423 589 2HB ASN 992 HB2 ASN 992 9.905 0.200 3.826 590 1HD2 ASN 992 2HD2 ASN 992 10.038 -1.607 5.195 591 2HD2 ASN 992 1HD2 ASN 992 8.654 -2.605 5.496 592 H SER 993 H SER 993 9.497 0.797 0.132 593 HA SER 993 HA SER 993 11.152 3.039 0.747 594 1HB SER 993 HB1 SER 993 11.703 2.911 -1.742 595 2HB SER 993 HB2 SER 993 12.100 1.504 -0.761 596 HG SER 993 HG SER 993 9.567 1.459 -1.879 597 H ASP 994 H ASP 994 8.032 2.678 -0.940 598 HA ASP 994 HA ASP 994 8.326 5.491 -1.766 599 1HB ASP 994 HB1 ASP 994 6.614 3.309 -2.937 600 2HB ASP 994 HB2 ASP 994 6.445 5.006 -3.376 601 H LEU 995 H LEU 995 6.203 3.314 0.035 602 HA LEU 995 HA LEU 995 4.212 5.193 0.693 603 1HB LEU 995 HB1 LEU 995 4.759 2.600 1.512 604 2HB LEU 995 HB2 LEU 995 5.110 3.516 2.959 605 HG LEU 995 HG LEU 995 2.902 2.786 3.171 606 1HD1 LEU 995 1HD1 LEU 995 3.208 5.077 3.855 607 2HD1 LEU 995 2HD1 LEU 995 2.839 5.638 2.225 608 3HD1 LEU 995 3HD1 LEU 995 1.592 4.847 3.190 609 1HD2 LEU 995 1HD2 LEU 995 2.491 2.134 0.875 610 2HD2 LEU 995 2HD2 LEU 995 1.175 3.140 1.478 611 3HD2 LEU 995 3HD2 LEU 995 2.384 3.828 0.394 612 H ALA 996 H ALA 996 7.378 4.506 2.051 613 HA ALA 996 HA ALA 996 7.389 6.553 3.996 614 1HB ALA 996 HB1 ALA 996 9.747 5.357 2.554 615 2HB ALA 996 HB2 ALA 996 9.826 6.352 4.008 616 3HB ALA 996 HB3 ALA 996 9.041 4.770 4.062 617 H GLU 997 H GLU 997 8.665 6.547 0.652 618 HA GLU 997 HA GLU 997 9.491 9.142 0.589 619 1HB GLU 997 HB1 GLU 997 9.759 7.673 -1.361 620 2HB GLU 997 HB2 GLU 997 8.024 7.748 -1.662 621 1HG GLU 997 HG1 GLU 997 8.177 10.147 -2.010 622 2HG GLU 997 HG2 GLU 997 9.906 10.095 -1.698 623 H LEU 998 H LEU 998 6.127 8.003 0.211 624 HA LEU 998 HA LEU 998 5.246 10.596 -0.557 625 1HB LEU 998 HB1 LEU 998 3.986 8.496 -1.064 626 2HB LEU 998 HB2 LEU 998 3.517 8.432 0.627 627 HG LEU 998 HG LEU 998 2.439 10.662 0.371 628 1HD1 LEU 998 1HD1 LEU 998 3.755 11.484 -1.499 629 2HD1 LEU 998 2HD1 LEU 998 3.056 10.252 -2.550 630 3HD1 LEU 998 3HD1 LEU 998 2.034 11.522 -1.878 631 1HD2 LEU 998 1HD2 LEU 998 1.091 8.646 0.203 632 2HD2 LEU 998 2HD2 LEU 998 0.502 9.884 -0.907 633 3HD2 LEU 998 3HD2 LEU 998 1.452 8.532 -1.521 634 H ILE 999 H ILE 999 5.446 8.943 2.587 635 HA ILE 999 HA ILE 999 3.897 10.834 3.977 636 HB ILE 999 HB ILE 999 4.868 10.061 6.047 637 1HG1 ILE 999 1HG1 ILE 999 6.856 8.525 4.360 638 2HG1 ILE 999 2HG1 ILE 999 7.227 9.943 5.334 639 1HG2 ILE 999 1HG2 ILE 999 3.181 8.669 5.033 640 2HG2 ILE 999 2HG2 ILE 999 4.405 7.811 4.099 641 3HG2 ILE 999 3HG2 ILE 999 4.371 7.662 5.856 642 1HD1 ILE 999 1HD1 ILE 999 6.271 7.285 6.372 643 2HD1 ILE 999 2HD1 ILE 999 7.913 7.921 6.466 644 3HD1 ILE 999 3HD1 ILE 999 6.609 8.709 7.354 645 H ASN1000 H ASN1000 7.239 10.848 3.010 646 HA ASN1000 HA ASN1000 7.714 13.380 4.372 647 1HB ASN1000 HB1 ASN1000 9.842 12.648 4.425 648 2HB ASN1000 HB2 ASN1000 9.257 11.140 3.732 649 1HD2 ASN1000 2HD2 ASN1000 9.230 10.971 1.403 650 2HD2 ASN1000 1HD2 ASN1000 10.502 11.744 0.509 651 H LYS1001 H LYS1001 6.628 12.298 1.361 652 HA LYS1001 HA LYS1001 7.567 14.604 -0.127 653 1HB LYS1001 HB1 LYS1001 5.852 12.237 -0.820 654 2HB LYS1001 HB2 LYS1001 5.911 13.640 -1.878 655 1HG LYS1001 HG1 LYS1001 8.403 12.226 -0.986 656 2HG LYS1001 HG2 LYS1001 7.485 11.708 -2.400 657 1HD LYS1001 HD1 LYS1001 8.332 14.565 -2.116 658 2HD LYS1001 HD2 LYS1001 9.475 13.351 -2.702 659 1HE LYS1001 HE1 LYS1001 6.744 13.798 -3.892 660 2HE LYS1001 HE2 LYS1001 8.210 14.575 -4.492 661 1HZ LYS1001 HZ1 LYS1001 7.783 11.631 -4.338 662 2HZ LYS1001 HZ2 LYS1001 7.658 12.567 -5.743 663 3HZ LYS1001 HZ3 LYS1001 9.148 12.412 -4.964 664 H MET1002 H MET1002 4.629 13.480 1.441 665 HA MET1002 HA MET1002 3.072 15.753 0.644 666 1HB MET1002 HB1 MET1002 2.684 13.964 3.047 667 2HB MET1002 HB2 MET1002 1.469 14.962 2.256 668 1HG MET1002 HG1 MET1002 2.874 12.619 1.000 669 2HG MET1002 HG2 MET1002 1.261 12.575 1.722 670 1HE MET1002 HE1 MET1002 -0.784 14.077 0.795 671 2HE MET1002 HE2 MET1002 0.251 15.503 0.848 672 3HE MET1002 HE3 MET1002 -0.645 15.117 -0.622 673 H LYS1003 H LYS1003 4.762 14.737 3.556 674 HA LYS1003 HA LYS1003 4.834 17.063 5.006 675 1HB LYS1003 HB1 LYS1003 5.786 14.909 5.735 676 2HB LYS1003 HB2 LYS1003 7.071 15.078 4.549 677 1HG LYS1003 HG1 LYS1003 7.836 17.106 5.716 678 2HG LYS1003 HG2 LYS1003 6.596 16.833 6.943 679 1HD LYS1003 HD1 LYS1003 7.631 14.548 7.287 680 2HD LYS1003 HD2 LYS1003 8.971 15.103 6.282 681 1HE LYS1003 HE1 LYS1003 9.593 15.434 8.560 682 2HE LYS1003 HE2 LYS1003 9.258 17.019 7.862 683 1HZ LYS1003 HZ1 LYS1003 7.389 15.442 9.549 684 2HZ LYS1003 HZ2 LYS1003 8.275 16.792 10.059 685 3HZ LYS1003 HZ3 LYS1003 7.067 16.969 8.884 686 H LEU1004 H LEU1004 7.027 16.051 2.385 687 HA LEU1004 HA LEU1004 8.544 18.327 2.135 688 1HB LEU1004 HB1 LEU1004 8.762 16.111 0.924 689 2HB LEU1004 HB2 LEU1004 7.587 16.730 -0.218 690 HG LEU1004 HG LEU1004 9.118 18.587 -0.776 691 1HD1 LEU1004 1HD1 LEU1004 11.440 18.508 0.002 692 2HD1 LEU1004 2HD1 LEU1004 10.313 18.733 1.341 693 3HD1 LEU1004 3HD1 LEU1004 11.037 17.151 1.054 694 1HD2 LEU1004 1HD2 LEU1004 10.760 17.248 -2.001 695 2HD2 LEU1004 2HD2 LEU1004 10.335 15.839 -1.030 696 3HD2 LEU1004 3HD2 LEU1004 9.143 16.552 -2.117 697 H ALA1005 H ALA1005 5.476 17.698 0.355 698 HA ALA1005 HA ALA1005 5.351 20.183 -0.936 699 1HB ALA1005 HB1 ALA1005 2.940 19.777 -1.140 700 2HB ALA1005 HB2 ALA1005 3.870 18.324 -1.506 701 3HB ALA1005 HB3 ALA1005 3.057 18.482 0.052 702 H GLN1006 H GLN1006 4.223 19.132 2.192 703 HA GLN1006 HA GLN1006 3.178 21.552 3.186 704 1HB GLN1006 HB1 GLN1006 2.920 19.195 4.069 705 2HB GLN1006 HB2 GLN1006 4.558 19.305 4.675 706 1HG GLN1006 HG1 GLN1006 2.541 21.313 5.537 707 2HG GLN1006 HG2 GLN1006 2.515 19.686 6.214 708 1HE2 GLN1006 2HE2 GLN1006 4.198 22.714 6.108 709 2HE2 GLN1006 1HE2 GLN1006 5.330 22.358 7.364 710 H GLN1007 H GLN1007 6.381 20.250 2.884 711 HA GLN1007 HA GLN1007 7.658 21.990 4.735 712 1HB GLN1007 HB1 GLN1007 8.265 19.553 3.839 713 2HB GLN1007 HB2 GLN1007 9.155 20.488 2.645 714 1HG GLN1007 HG1 GLN1007 10.755 20.094 4.230 715 2HG GLN1007 HG2 GLN1007 10.169 21.687 4.707 716 1HE2 GLN1007 2HE2 GLN1007 7.647 20.425 5.757 717 2HE2 GLN1007 1HE2 GLN1007 8.108 19.757 7.285 718 H TYR1008 H TYR1008 6.930 21.983 1.391 719 HA TYR1008 HA TYR1008 8.649 24.199 0.725 720 1HB TYR1008 HB1 TYR1008 7.653 22.304 -0.806 721 2HB TYR1008 HB2 TYR1008 6.259 23.371 -0.888 722 HD1 TYR1008 HD1 TYR1008 9.799 24.444 -0.767 723 HD2 TYR1008 HD2 TYR1008 6.333 23.931 -3.184 724 HE1 TYR1008 HE1 TYR1008 10.901 25.665 -2.594 725 HE2 TYR1008 HE2 TYR1008 7.422 25.165 -5.014 726 HH TYR1008 HH TYR1008 10.714 25.795 -5.100 727 H VAL1009 H VAL1009 5.138 23.731 0.679 728 HA VAL1009 HA VAL1009 3.410 25.224 0.773 729 HB VAL1009 HB VAL1009 3.831 24.375 3.074 730 1HG1 VAL1009 1HG1 VAL1009 4.676 25.980 4.772 731 2HG1 VAL1009 2HG1 VAL1009 5.906 25.419 3.639 732 3HG1 VAL1009 3HG1 VAL1009 5.206 27.027 3.455 733 1HG2 VAL1009 1HG2 VAL1009 2.600 27.115 2.868 734 2HG2 VAL1009 2HG2 VAL1009 1.799 25.574 2.565 735 3HG2 VAL1009 3HG2 VAL1009 2.346 25.980 4.194 736 H MET1010 H MET1010 5.325 26.380 -0.813 737 HA MET1010 HA MET1010 5.966 29.015 0.170 738 1HB MET1010 HB1 MET1010 7.484 27.700 -1.323 739 2HB MET1010 HB2 MET1010 6.323 27.915 -2.625 740 1HG MET1010 HG1 MET1010 6.664 30.283 -2.633 741 2HG MET1010 HG2 MET1010 7.664 30.193 -1.185 742 1HE MET1010 HE1 MET1010 9.552 27.758 -1.636 743 2HE MET1010 HE2 MET1010 10.919 28.526 -2.444 744 3HE MET1010 HE3 MET1010 10.109 29.348 -1.109 745 H THR1011 H THR1011 3.156 27.881 -0.597 746 HA THR1011 HA THR1011 1.174 28.565 -1.401 747 HB THR1011 HB THR1011 0.672 31.020 -1.296 748 HG1 THR1011 HG1 THR1011 3.365 31.187 -1.265 749 1HG2 THR1011 1HG2 THR1011 1.997 29.803 1.126 750 2HG2 THR1011 2HG2 THR1011 0.863 31.154 1.141 751 3HG2 THR1011 3HG2 THR1011 0.325 29.556 0.624 752 H SER1012 H SER1012 0.364 28.382 -3.310 753 HA SER1012 HA SER1012 -0.038 28.588 -5.527 754 1HB SER1012 HB1 SER1012 1.853 30.949 -5.417 755 2HB SER1012 HB2 SER1012 0.846 30.515 -6.799 756 HG SER1012 HG SER1012 0.102 31.552 -4.289 757 H LEU1013 H LEU1013 3.441 29.335 -5.048 758 HA LEU1013 HA LEU1013 4.214 27.692 -7.262 759 1HB LEU1013 HB1 LEU1013 5.503 29.668 -6.415 760 2HB LEU1013 HB2 LEU1013 5.944 28.721 -5.009 761 HG LEU1013 HG LEU1013 7.140 27.130 -6.445 762 1HD1 LEU1013 1HD1 LEU1013 7.496 27.610 -8.804 763 2HD1 LEU1013 2HD1 LEU1013 5.782 27.380 -8.460 764 3HD1 LEU1013 3HD1 LEU1013 6.423 29.006 -8.694 765 1HD2 LEU1013 1HD2 LEU1013 8.331 29.045 -5.496 766 2HD2 LEU1013 2HD2 LEU1013 8.992 28.581 -7.063 767 3HD2 LEU1013 3HD2 LEU1013 7.945 29.995 -6.931 768 H GLN1014 H GLN1014 3.199 26.994 -4.172 769 HA GLN1014 HA GLN1014 4.737 24.649 -3.635 770 1HB GLN1014 HB1 GLN1014 3.550 25.893 -1.882 771 2HB GLN1014 HB2 GLN1014 2.013 25.506 -2.635 772 1HG GLN1014 HG1 GLN1014 3.651 23.171 -1.970 773 2HG GLN1014 HG2 GLN1014 3.143 24.134 -0.585 774 1HE2 GLN1014 2HE2 GLN1014 2.123 22.057 -3.152 775 2HE2 GLN1014 1HE2 GLN1014 0.486 21.873 -2.630 776 H GLN1015 H GLN1015 2.351 25.398 -5.831 777 HA GLN1015 HA GLN1015 0.708 23.129 -5.869 778 1HB GLN1015 HB1 GLN1015 -0.147 25.021 -6.907 779 2HB GLN1015 HB2 GLN1015 1.330 25.308 -7.792 780 1HG GLN1015 HG1 GLN1015 -0.263 24.633 -9.378 781 2HG GLN1015 HG2 GLN1015 0.798 23.249 -9.138 782 1HE2 GLN1015 2HE2 GLN1015 -0.002 21.408 -8.173 783 2HE2 GLN1015 1HE2 GLN1015 -1.696 21.149 -7.929 784 H GLU1016 H GLU1016 3.656 23.882 -7.778 785 HA GLU1016 HA GLU1016 3.786 21.495 -9.160 786 1HB GLU1016 HB1 GLU1016 6.274 21.742 -8.923 787 2HB GLU1016 HB2 GLU1016 5.430 23.054 -9.722 788 1HG GLU1016 HG1 GLU1016 5.590 24.368 -7.683 789 2HG GLU1016 HG2 GLU1016 6.369 23.011 -6.863 790 H TYR1017 H TYR1017 4.573 22.163 -5.841 791 HA TYR1017 HA TYR1017 5.801 19.631 -5.331 792 1HB TYR1017 HB1 TYR1017 5.236 22.054 -3.841 793 2HB TYR1017 HB2 TYR1017 4.886 20.634 -2.874 794 HD1 TYR1017 HD1 TYR1017 6.725 20.487 -1.343 795 HD2 TYR1017 HD2 TYR1017 7.454 21.150 -5.498 796 HE1 TYR1017 HE1 TYR1017 9.137 20.195 -0.981 797 HE2 TYR1017 HE2 TYR1017 9.858 20.868 -5.130 798 HH TYR1017 HH TYR1017 11.152 19.575 -2.289 799 H LYS1018 H LYS1018 2.652 20.930 -5.462 800 HA LYS1018 HA LYS1018 1.296 18.647 -4.334 801 1HB LYS1018 HB1 LYS1018 0.301 20.904 -4.286 802 2HB LYS1018 HB2 LYS1018 0.223 20.908 -6.039 803 1HG LYS1018 HG1 LYS1018 -1.351 19.049 -5.981 804 2HG LYS1018 HG2 LYS1018 -1.259 19.023 -4.220 805 1HD LYS1018 HD1 LYS1018 -2.143 21.309 -4.144 806 2HD LYS1018 HD2 LYS1018 -2.246 21.325 -5.905 807 1HE LYS1018 HE1 LYS1018 -3.701 19.374 -4.124 808 2HE LYS1018 HE2 LYS1018 -4.408 20.857 -4.757 809 1HZ LYS1018 HZ1 LYS1018 -3.381 18.593 -6.395 810 2HZ LYS1018 HZ2 LYS1018 -5.011 18.948 -6.102 811 3HZ LYS1018 HZ3 LYS1018 -4.064 20.024 -7.001 812 H LYS1019 H LYS1019 2.488 19.572 -7.460 813 HA LYS1019 HA LYS1019 0.990 17.636 -8.949 814 1HB LYS1019 HB1 LYS1019 2.065 19.710 -9.921 815 2HB LYS1019 HB2 LYS1019 3.618 18.911 -9.724 816 1HG LYS1019 HG1 LYS1019 2.796 17.078 -11.186 817 2HG LYS1019 HG2 LYS1019 1.335 18.024 -11.473 818 1HD LYS1019 HD1 LYS1019 2.819 18.416 -13.302 819 2HD LYS1019 HD2 LYS1019 2.806 19.875 -12.309 820 1HE LYS1019 HE1 LYS1019 4.882 19.108 -11.216 821 2HE LYS1019 HE2 LYS1019 4.905 17.711 -12.290 822 1HZ LYS1019 HZ1 LYS1019 6.345 19.318 -13.205 823 2HZ LYS1019 HZ2 LYS1019 4.950 19.336 -14.172 824 3HZ LYS1019 HZ3 LYS1019 5.205 20.566 -13.031 825 H GLN1020 H GLN1020 4.444 17.837 -8.050 826 HA GLN1020 HA GLN1020 5.169 15.206 -8.406 827 1HB GLN1020 HB1 GLN1020 6.061 17.285 -6.442 828 2HB GLN1020 HB2 GLN1020 6.658 15.641 -6.279 829 1HG GLN1020 HG1 GLN1020 8.258 16.889 -7.509 830 2HG GLN1020 HG2 GLN1020 7.474 15.776 -8.625 831 1HE2 GLN1020 2HE2 GLN1020 7.932 19.081 -7.718 832 2HE2 GLN1020 1HE2 GLN1020 7.201 19.781 -9.117 833 H MET1021 H MET1021 3.303 16.615 -5.806 834 HA MET1021 HA MET1021 3.174 14.493 -4.014 835 1HB MET1021 HB1 MET1021 2.225 16.668 -3.510 836 2HB MET1021 HB2 MET1021 1.049 16.491 -4.804 837 1HG MET1021 HG1 MET1021 0.295 14.395 -3.490 838 2HG MET1021 HG2 MET1021 1.151 15.145 -2.145 839 1HE MET1021 HE1 MET1021 -2.604 16.755 -4.248 840 2HE MET1021 HE2 MET1021 -1.075 16.561 -5.108 841 3HE MET1021 HE3 MET1021 -1.908 15.149 -4.459 842 H LEU1022 H LEU1022 1.152 15.185 -6.843 843 HA LEU1022 HA LEU1022 -0.603 12.999 -6.526 844 1HB LEU1022 HB1 LEU1022 -0.810 15.153 -7.969 845 2HB LEU1022 HB2 LEU1022 0.061 14.243 -9.185 846 HG LEU1022 HG LEU1022 -2.412 14.270 -9.496 847 1HD1 LEU1022 1HD1 LEU1022 -2.658 11.874 -9.937 848 2HD1 LEU1022 2HD1 LEU1022 -1.107 12.497 -10.501 849 3HD1 LEU1022 3HD1 LEU1022 -1.192 11.562 -9.008 850 1HD2 LEU1022 1HD2 LEU1022 -3.787 12.869 -8.033 851 2HD2 LEU1022 2HD2 LEU1022 -2.398 12.619 -6.977 852 3HD2 LEU1022 3HD2 LEU1022 -3.082 14.233 -7.166 853 H THR1023 H THR1023 2.240 13.461 -8.621 854 HA THR1023 HA THR1023 2.238 10.923 -9.800 855 HB THR1023 HB THR1023 4.664 12.625 -9.195 856 HG1 THR1023 HG1 THR1023 4.046 13.894 -10.803 857 1HG2 THR1023 1HG2 THR1023 5.605 11.561 -11.189 858 2HG2 THR1023 2HG2 THR1023 5.187 10.355 -9.972 859 3HG2 THR1023 3HG2 THR1023 4.142 10.593 -11.371 860 H ALA1024 H ALA1024 3.611 12.055 -6.762 861 HA ALA1024 HA ALA1024 5.041 9.627 -6.217 862 1HB ALA1024 HB1 ALA1024 4.227 11.801 -4.294 863 2HB ALA1024 HB2 ALA1024 5.440 10.552 -4.018 864 3HB ALA1024 HB3 ALA1024 5.712 11.789 -5.245 865 H ALA1025 H ALA1025 1.928 10.993 -5.258 866 HA ALA1025 HA ALA1025 1.181 8.940 -3.472 867 1HB ALA1025 HB1 ALA1025 0.056 11.102 -3.505 868 2HB ALA1025 HB2 ALA1025 -0.567 10.764 -5.121 869 3HB ALA1025 HB3 ALA1025 -1.099 9.792 -3.749 870 H HIS1026 H HIS1026 0.879 9.302 -6.965 871 HA HIS1026 HA HIS1026 -0.744 6.976 -7.261 872 1HB HIS1026 HB1 HIS1026 -0.818 8.713 -8.975 873 2HB HIS1026 HB2 HIS1026 0.896 8.486 -9.309 874 HD1 HIS1026 HD1 HIS1026 -2.447 6.800 -9.791 875 HD2 HIS1026 HD2 HIS1026 1.514 6.398 -11.009 876 HE1 HIS1026 HE1 HIS1026 -2.460 5.052 -11.607 877 HE2 HIS1026 HE2 HIS1026 -0.031 4.680 -12.170 878 H ALA1027 H ALA1027 2.721 7.634 -7.521 879 HA ALA1027 HA ALA1027 3.553 5.066 -8.271 880 1HB ALA1027 HB1 ALA1027 4.934 7.038 -6.441 881 2HB ALA1027 HB2 ALA1027 5.695 5.643 -7.207 882 3HB ALA1027 HB3 ALA1027 5.086 6.970 -8.197 883 H LEU1028 H LEU1028 3.022 6.510 -5.105 884 HA LEU1028 HA LEU1028 3.509 4.326 -3.451 885 1HB LEU1028 HB1 LEU1028 3.198 6.494 -2.533 886 2HB LEU1028 HB2 LEU1028 1.612 6.647 -3.250 887 HG LEU1028 HG LEU1028 1.760 4.375 -1.434 888 1HD1 LEU1028 1HD1 LEU1028 1.883 5.707 0.613 889 2HD1 LEU1028 2HD1 LEU1028 3.391 5.781 -0.299 890 3HD1 LEU1028 3HD1 LEU1028 2.266 7.139 -0.341 891 1HD2 LEU1028 1HD2 LEU1028 -0.267 5.415 -0.551 892 2HD2 LEU1028 2HD2 LEU1028 0.041 6.855 -1.522 893 3HD2 LEU1028 3HD2 LEU1028 -0.316 5.318 -2.311 894 H ALA1029 H ALA1029 0.481 5.411 -4.880 895 HA ALA1029 HA ALA1029 -1.166 3.377 -4.057 896 1HB ALA1029 HB1 ALA1029 -1.956 5.351 -5.276 897 2HB ALA1029 HB2 ALA1029 -1.252 4.711 -6.762 898 3HB ALA1029 HB3 ALA1029 -2.583 3.859 -5.978 899 H VAL1030 H VAL1030 1.254 3.272 -6.606 900 HA VAL1030 HA VAL1030 0.435 0.749 -7.671 901 HB VAL1030 HB VAL1030 3.143 2.093 -7.847 902 1HG1 VAL1030 1HG1 VAL1030 1.950 -0.174 -9.445 903 2HG1 VAL1030 2HG1 VAL1030 3.463 0.649 -9.823 904 3HG1 VAL1030 3HG1 VAL1030 3.311 -0.274 -8.329 905 1HG2 VAL1030 1HG2 VAL1030 2.418 2.867 -10.033 906 2HG2 VAL1030 2HG2 VAL1030 0.845 2.103 -9.802 907 3HG2 VAL1030 3HG2 VAL1030 1.330 3.455 -8.778 908 H ASP1031 H ASP1031 2.667 1.772 -5.131 909 HA ASP1031 HA ASP1031 3.871 -0.618 -4.422 910 1HB ASP1031 HB1 ASP1031 2.654 1.409 -2.520 911 2HB ASP1031 HB2 ASP1031 3.808 0.169 -2.073 912 H ALA1032 H ALA1032 0.697 0.604 -3.464 913 HA ALA1032 HA ALA1032 -0.149 -1.702 -2.072 914 1HB ALA1032 HB1 ALA1032 -2.379 -0.758 -2.220 915 2HB ALA1032 HB2 ALA1032 -1.208 0.493 -1.805 916 3HB ALA1032 HB3 ALA1032 -1.836 0.384 -3.449 917 H LYS1033 H LYS1033 -0.673 -0.596 -5.425 918 HA LYS1033 HA LYS1033 -2.489 -2.616 -6.127 919 1HB LYS1033 HB1 LYS1033 -0.641 -0.975 -7.856 920 2HB LYS1033 HB2 LYS1033 -1.881 -2.048 -8.492 921 1HG LYS1033 HG1 LYS1033 -3.562 -0.727 -7.193 922 2HG LYS1033 HG2 LYS1033 -2.272 0.419 -6.824 923 1HD LYS1033 HD1 LYS1033 -1.920 0.771 -9.228 924 2HD LYS1033 HD2 LYS1033 -3.242 -0.345 -9.577 925 1HE LYS1033 HE1 LYS1033 -4.716 1.172 -8.196 926 2HE LYS1033 HE2 LYS1033 -3.387 2.332 -8.208 927 1HZ LYS1033 HZ1 LYS1033 -3.468 2.229 -10.673 928 2HZ LYS1033 HZ2 LYS1033 -4.866 1.281 -10.554 929 3HZ LYS1033 HZ3 LYS1033 -4.872 2.873 -9.973 930 H ASN1034 H ASN1034 1.046 -2.503 -6.369 931 HA ASN1034 HA ASN1034 1.207 -4.989 -7.751 932 1HB ASN1034 HB1 ASN1034 3.037 -3.254 -7.723 933 2HB ASN1034 HB2 ASN1034 3.385 -3.743 -6.066 934 1HD2 ASN1034 2HD2 ASN1034 5.462 -4.451 -6.607 935 2HD2 ASN1034 1HD2 ASN1034 5.737 -5.900 -7.505 936 H LEU1035 H LEU1035 1.139 -4.050 -4.363 937 HA LEU1035 HA LEU1035 1.955 -6.684 -3.462 938 1HB LEU1035 HB1 LEU1035 2.607 -4.793 -2.083 939 2HB LEU1035 HB2 LEU1035 0.922 -4.292 -1.915 940 HG LEU1035 HG LEU1035 0.572 -6.586 -0.789 941 1HD1 LEU1035 1HD1 LEU1035 2.679 -7.584 -1.476 942 2HD1 LEU1035 2HD1 LEU1035 3.568 -6.350 -0.582 943 3HD1 LEU1035 3HD1 LEU1035 2.561 -7.512 0.282 944 1HD2 LEU1035 1HD2 LEU1035 0.469 -4.496 0.421 945 2HD2 LEU1035 2HD2 LEU1035 1.324 -5.708 1.373 946 3HD2 LEU1035 3HD2 LEU1035 2.229 -4.448 0.534 947 H LEU1036 H LEU1036 -1.079 -4.992 -4.029 948 HA LEU1036 HA LEU1036 -2.716 -6.862 -2.655 949 1HB LEU1036 HB1 LEU1036 -4.610 -5.886 -3.755 950 2HB LEU1036 HB2 LEU1036 -3.530 -4.605 -3.263 951 HG LEU1036 HG LEU1036 -2.707 -4.670 -5.733 952 1HD1 LEU1036 1HD1 LEU1036 -4.458 -5.315 -7.324 953 2HD1 LEU1036 2HD1 LEU1036 -3.870 -6.702 -6.408 954 3HD1 LEU1036 3HD1 LEU1036 -5.421 -5.969 -5.999 955 1HD2 LEU1036 1HD2 LEU1036 -5.419 -3.618 -4.941 956 2HD2 LEU1036 2HD2 LEU1036 -3.870 -2.805 -4.716 957 3HD2 LEU1036 3HD2 LEU1036 -4.487 -3.091 -6.342 958 H ASP1037 H ASP1037 -1.196 -6.737 -5.660 959 HA ASP1037 HA ASP1037 -2.454 -9.106 -6.719 960 1HB ASP1037 HB1 ASP1037 -1.554 -7.368 -8.233 961 2HB ASP1037 HB2 ASP1037 0.062 -7.668 -7.605 962 H VAL1038 H VAL1038 0.635 -8.185 -5.296 963 HA VAL1038 HA VAL1038 1.981 -10.595 -5.247 964 HB VAL1038 HB VAL1038 1.990 -8.258 -3.356 965 1HG1 VAL1038 1HG1 VAL1038 2.591 -10.206 -2.032 966 2HG1 VAL1038 2HG1 VAL1038 3.788 -10.674 -3.241 967 3HG1 VAL1038 3HG1 VAL1038 4.001 -9.186 -2.317 968 1HG2 VAL1038 1HG2 VAL1038 2.908 -7.897 -5.579 969 2HG2 VAL1038 2HG2 VAL1038 4.183 -7.855 -4.361 970 3HG2 VAL1038 3HG2 VAL1038 3.978 -9.283 -5.375 971 H ILE1039 H ILE1039 0.071 -9.292 -2.515 972 HA ILE1039 HA ILE1039 0.335 -11.816 -1.169 973 HB ILE1039 HB ILE1039 -0.878 -10.746 0.720 974 1HG1 ILE1039 1HG1 ILE1039 -0.706 -8.331 -1.085 975 2HG1 ILE1039 2HG1 ILE1039 -2.159 -9.045 -0.393 976 1HG2 ILE1039 1HG2 ILE1039 1.604 -9.392 -0.317 977 2HG2 ILE1039 2HG2 ILE1039 1.030 -9.329 1.349 978 3HG2 ILE1039 3HG2 ILE1039 1.532 -10.868 0.648 979 1HD1 ILE1039 1HD1 ILE1039 0.038 -7.676 1.140 980 2HD1 ILE1039 2HD1 ILE1039 -1.544 -6.999 0.755 981 3HD1 ILE1039 3HD1 ILE1039 -1.417 -8.388 1.835 982 H ASP1040 H ASP1040 -2.400 -10.054 -2.706 983 HA ASP1040 HA ASP1040 -4.234 -12.108 -2.158 984 1HB ASP1040 HB1 ASP1040 -4.926 -10.101 -3.419 985 2HB ASP1040 HB2 ASP1040 -3.999 -10.666 -4.807 986 H GLN1041 H GLN1041 -1.515 -12.028 -4.389 987 HA GLN1041 HA GLN1041 -2.088 -14.737 -5.194 988 1HB GLN1041 HB1 GLN1041 0.372 -13.043 -5.585 989 2HB GLN1041 HB2 GLN1041 0.299 -14.735 -6.051 990 1HG GLN1041 HG1 GLN1041 -1.604 -14.199 -7.533 991 2HG GLN1041 HG2 GLN1041 -1.397 -12.495 -7.125 992 1HE2 GLN1041 2HE2 GLN1041 -0.880 -11.854 -9.188 993 2HE2 GLN1041 1HE2 GLN1041 0.614 -12.278 -9.948 994 H ALA1042 H ALA1042 -0.352 -13.203 -2.594 995 HA ALA1042 HA ALA1042 1.136 -15.359 -1.703 996 1HB ALA1042 HB1 ALA1042 -0.332 -13.362 0.011 997 2HB ALA1042 HB2 ALA1042 0.985 -14.409 0.539 998 3HB ALA1042 HB3 ALA1042 1.284 -13.153 -0.665 999 H ARG1043 H ARG1043 -2.179 -14.458 -0.789 1000 HA ARG1043 HA ARG1043 -2.791 -16.771 0.620 1001 1HB ARG1043 HB1 ARG1043 -5.143 -16.226 0.238 1002 2HB ARG1043 HB2 ARG1043 -4.216 -14.808 0.680 1003 1HG ARG1043 HG1 ARG1043 -5.557 -13.982 -0.961 1004 2HG ARG1043 HG2 ARG1043 -4.115 -14.408 -1.879 1005 1HD ARG1043 HD1 ARG1043 -5.200 -16.559 -2.485 1006 2HD ARG1043 HD2 ARG1043 -6.660 -16.016 -1.658 1007 HE ARG1043 HE ARG1043 -6.159 -14.001 -3.390 1008 1HH1 ARG1043 2HH1 ARG1043 -6.557 -17.461 -3.795 1009 2HH1 ARG1043 1HH1 ARG1043 -7.013 -17.344 -5.465 1010 1HH2 ARG1043 2HH2 ARG1043 -6.710 -13.840 -5.577 1011 2HH2 ARG1043 1HH2 ARG1043 -7.050 -15.280 -6.500 1012 H LEU1044 H LEU1044 -2.769 -16.194 -2.831 1013 HA LEU1044 HA LEU1044 -3.853 -18.773 -3.492 1014 1HB LEU1044 HB1 LEU1044 -4.065 -16.846 -4.968 1015 2HB LEU1044 HB2 LEU1044 -2.332 -16.800 -5.186 1016 HG LEU1044 HG LEU1044 -2.431 -19.016 -6.278 1017 1HD1 LEU1044 1HD1 LEU1044 -4.416 -19.903 -5.201 1018 2HD1 LEU1044 2HD1 LEU1044 -5.414 -18.681 -5.990 1019 3HD1 LEU1044 3HD1 LEU1044 -4.610 -19.921 -6.955 1020 1HD2 LEU1044 1HD2 LEU1044 -2.497 -16.988 -7.626 1021 2HD2 LEU1044 2HD2 LEU1044 -3.478 -18.261 -8.354 1022 3HD2 LEU1044 3HD2 LEU1044 -4.253 -16.937 -7.481 1023 H LYS1045 H LYS1045 -0.673 -17.420 -3.010 1024 HA LYS1045 HA LYS1045 0.940 -19.468 -4.017 1025 1HB LYS1045 HB1 LYS1045 1.202 -17.171 -2.251 1026 2HB LYS1045 HB2 LYS1045 2.218 -18.503 -1.727 1027 1HG LYS1045 HG1 LYS1045 3.356 -16.903 -3.199 1028 2HG LYS1045 HG2 LYS1045 3.350 -18.548 -3.824 1029 1HD LYS1045 HD1 LYS1045 1.613 -18.005 -5.398 1030 2HD LYS1045 HD2 LYS1045 1.403 -16.407 -4.678 1031 1HE LYS1045 HE1 LYS1045 3.573 -15.721 -5.414 1032 2HE LYS1045 HE2 LYS1045 3.959 -17.353 -5.959 1033 1HZ LYS1045 HZ1 LYS1045 1.828 -15.629 -7.106 1034 2HZ LYS1045 HZ2 LYS1045 3.351 -15.888 -7.801 1035 3HZ LYS1045 HZ3 LYS1045 2.258 -17.177 -7.645 1036 H MET1046 H MET1046 -0.509 -18.976 -0.849 1037 HA MET1046 HA MET1046 0.501 -21.333 0.345 1038 1HB MET1046 HB1 MET1046 -0.512 -19.438 1.602 1039 2HB MET1046 HB2 MET1046 -2.085 -19.901 0.968 1040 1HG MET1046 HG1 MET1046 -1.907 -22.061 2.086 1041 2HG MET1046 HG2 MET1046 -0.324 -21.599 2.713 1042 1HE MET1046 HE1 MET1046 -2.566 -21.533 5.924 1043 2HE MET1046 HE2 MET1046 -2.653 -22.665 4.574 1044 3HE MET1046 HE3 MET1046 -1.084 -22.153 5.194 1045 H ILE1047 H ILE1047 -2.334 -20.638 -1.604 1046 HA ILE1047 HA ILE1047 -3.479 -23.238 -1.431 1047 HB ILE1047 HB ILE1047 -3.818 -21.087 -3.534 1048 1HG1 ILE1047 1HG1 ILE1047 -4.585 -20.381 -1.334 1049 2HG1 ILE1047 2HG1 ILE1047 -5.969 -20.670 -2.382 1050 1HG2 ILE1047 1HG2 ILE1047 -5.818 -22.279 -4.239 1051 2HG2 ILE1047 2HG2 ILE1047 -4.387 -23.294 -4.425 1052 3HG2 ILE1047 3HG2 ILE1047 -5.484 -23.556 -3.070 1053 1HD1 ILE1047 1HD1 ILE1047 -6.368 -21.517 -0.146 1054 2HD1 ILE1047 2HD1 ILE1047 -6.323 -22.835 -1.317 1055 3HD1 ILE1047 3HD1 ILE1047 -4.938 -22.542 -0.266 1056 H SER1048 H SER1048 -1.372 -21.612 -3.760 1057 HA SER1048 HA SER1048 -0.993 -23.563 -5.658 1058 1HB SER1048 HB1 SER1048 1.058 -21.642 -4.514 1059 2HB SER1048 HB2 SER1048 1.245 -22.538 -6.026 1060 HG SER1048 HG SER1048 -0.950 -20.818 -5.519 1061 H GLN1049 H GLN1049 0.387 -23.429 -2.426 1062 HA GLN1049 HA GLN1049 2.186 -25.628 -2.940 1063 1HB GLN1049 HB1 GLN1049 2.782 -23.813 -1.375 1064 2HB GLN1049 HB2 GLN1049 1.453 -24.290 -0.330 1065 1HG GLN1049 HG1 GLN1049 3.490 -25.143 0.574 1066 2HG GLN1049 HG2 GLN1049 2.530 -26.492 -0.029 1067 1HE2 GLN1049 2HE2 GLN1049 5.388 -26.332 0.475 1068 2HE2 GLN1049 1HE2 GLN1049 6.175 -26.683 -1.034 1069 H SER1050 H SER1050 -1.027 -25.191 -1.660 1070 HA SER1050 HA SER1050 -1.044 -27.818 -0.429 1071 1HB SER1050 HB1 SER1050 -3.505 -27.084 0.043 1072 2HB SER1050 HB2 SER1050 -2.182 -26.308 0.914 1073 HG SER1050 HG SER1050 -2.452 -24.501 -0.227 1074 H ARG1051 H ARG1051 -1.740 -26.524 -3.479 1075 HA ARG1051 HA ARG1051 -2.907 -29.113 -4.204 1076 1HB ARG1051 HB1 ARG1051 -4.317 -28.007 -5.926 1077 2HB ARG1051 HB2 ARG1051 -4.781 -27.604 -4.282 1078 1HG ARG1051 HG1 ARG1051 -3.719 -25.440 -4.477 1079 2HG ARG1051 HG2 ARG1051 -3.134 -25.849 -6.091 1080 1HD ARG1051 HD1 ARG1051 -6.042 -25.742 -5.310 1081 2HD ARG1051 HD2 ARG1051 -5.171 -24.415 -6.077 1082 HE ARG1051 HE ARG1051 -4.795 -25.977 -7.979 1083 1HH1 ARG1051 2HH1 ARG1051 -7.472 -26.477 -5.788 1084 2HH1 ARG1051 1HH1 ARG1051 -8.435 -27.343 -6.943 1085 1HH2 ARG1051 2HH2 ARG1051 -6.046 -27.094 -9.510 1086 2HH2 ARG1051 1HH2 ARG1051 -7.630 -27.668 -9.082 1087 HA PRO1052 HA PRO1052 0.856 -28.773 -6.645 1088 1HB PRO1052 HB1 PRO1052 0.209 -31.574 -7.281 1089 2HB PRO1052 HB2 PRO1052 1.655 -30.900 -6.522 1090 1HG PRO1052 HG1 PRO1052 -0.121 -32.329 -5.116 1091 2HG PRO1052 HG2 PRO1052 0.729 -30.943 -4.407 1092 1HD PRO1052 HD1 PRO1052 -2.065 -31.103 -5.483 1093 2HD PRO1052 HD2 PRO1052 -1.472 -30.312 -4.007 1094 H HIS1053 H HIS1053 -2.334 -29.621 -7.611 1095 HA HIS1053 HA HIS1053 -1.894 -28.563 -10.232 1096 1HB HIS1053 HB1 HIS1053 -2.567 -30.498 -11.523 1097 2HB HIS1053 HB2 HIS1053 -1.159 -30.915 -10.559 1098 HD1 HIS1053 HD1 HIS1053 -4.513 -32.030 -11.371 1099 HD2 HIS1053 HD2 HIS1053 -1.875 -32.520 -8.197 1100 HE1 HIS1053 HE1 HIS1053 -5.364 -34.013 -10.087 1101 HE2 HIS1053 HE2 HIS1053 -3.858 -34.181 -8.073 Start of MODEL 11 1 1H ARG 920 H ARG 920 -7.536 -19.179 -3.626 2 HA ARG 920 HA ARG 920 -8.479 -19.799 -1.045 3 1HB ARG 920 HB1 ARG 920 -6.156 -19.087 -1.683 4 2HB ARG 920 HB2 ARG 920 -6.766 -17.448 -1.850 5 1HG ARG 920 HG1 ARG 920 -5.655 -17.745 0.273 6 2HG ARG 920 HG2 ARG 920 -7.379 -17.436 0.519 7 1HD ARG 920 HD1 ARG 920 -7.717 -19.889 0.732 8 2HD ARG 920 HD2 ARG 920 -5.971 -20.087 0.618 9 HE ARG 920 HE ARG 920 -6.088 -18.461 2.682 10 1HH1 ARG 920 2HH1 ARG 920 -8.123 -21.212 1.948 11 2HH1 ARG 920 1HH1 ARG 920 -8.432 -21.589 3.615 12 1HH2 ARG 920 2HH2 ARG 920 -6.497 -18.971 4.901 13 2HH2 ARG 920 1HH2 ARG 920 -7.505 -20.333 5.275 14 H SER 921 H SER 921 -9.860 -17.749 -3.281 15 HA SER 921 HA SER 921 -11.427 -16.120 -3.246 16 1HB SER 921 HB1 SER 921 -11.595 -16.742 -0.287 17 2HB SER 921 HB2 SER 921 -12.724 -15.708 -1.168 18 HG SER 921 HG SER 921 -12.455 -18.474 -1.170 19 H ASN 922 H ASN 922 -8.553 -15.975 -1.801 20 HA ASN 922 HA ASN 922 -7.020 -14.407 -1.505 21 1HB ASN 922 HB1 ASN 922 -8.600 -13.431 -3.508 22 2HB ASN 922 HB2 ASN 922 -8.330 -12.053 -2.422 23 1HD2 ASN 922 2HD2 ASN 922 -6.837 -14.576 -4.259 24 2HD2 ASN 922 1HD2 ASN 922 -5.255 -13.917 -4.228 25 H ASP 923 H ASP 923 -7.291 -14.722 0.583 26 HA ASP 923 HA ASP 923 -9.013 -13.732 2.437 27 1HB ASP 923 HB1 ASP 923 -7.360 -15.572 2.683 28 2HB ASP 923 HB2 ASP 923 -6.083 -14.372 2.816 29 H LYS 924 H LYS 924 -7.863 -12.501 4.427 30 HA LYS 924 HA LYS 924 -8.161 -9.834 4.176 31 1HB LYS 924 HB1 LYS 924 -7.451 -11.517 6.184 32 2HB LYS 924 HB2 LYS 924 -5.969 -10.593 6.001 33 1HG LYS 924 HG1 LYS 924 -8.493 -9.058 6.154 34 2HG LYS 924 HG2 LYS 924 -7.946 -9.860 7.624 35 1HD LYS 924 HD1 LYS 924 -5.797 -8.725 7.460 36 2HD LYS 924 HD2 LYS 924 -6.310 -7.947 5.963 37 1HE LYS 924 HE1 LYS 924 -6.506 -6.448 7.890 38 2HE LYS 924 HE2 LYS 924 -8.071 -6.772 7.143 39 1HZ LYS 924 HZ1 LYS 924 -7.009 -7.986 9.641 40 2HZ LYS 924 HZ2 LYS 924 -8.284 -6.877 9.512 41 3HZ LYS 924 HZ3 LYS 924 -8.466 -8.443 8.901 42 H VAL 925 H VAL 925 -5.502 -11.558 2.881 43 HA VAL 925 HA VAL 925 -3.597 -9.518 2.616 44 HB VAL 925 HB VAL 925 -2.866 -10.859 0.565 45 1HG1 VAL 925 1HG1 VAL 925 -1.939 -12.664 1.945 46 2HG1 VAL 925 2HG1 VAL 925 -1.832 -11.109 2.771 47 3HG1 VAL 925 3HG1 VAL 925 -3.078 -12.269 3.232 48 1HG2 VAL 925 1HG2 VAL 925 -4.982 -12.741 1.608 49 2HG2 VAL 925 2HG2 VAL 925 -5.005 -11.903 0.056 50 3HG2 VAL 925 3HG2 VAL 925 -3.775 -13.124 0.380 51 H TYR 926 H TYR 926 -6.237 -10.572 0.331 52 HA TYR 926 HA TYR 926 -5.485 -8.471 -1.522 53 1HB TYR 926 HB1 TYR 926 -6.517 -10.478 -2.374 54 2HB TYR 926 HB2 TYR 926 -7.892 -10.302 -1.294 55 HD1 TYR 926 HD1 TYR 926 -9.834 -9.580 -2.224 56 HD2 TYR 926 HD2 TYR 926 -6.163 -8.319 -3.962 57 HE1 TYR 926 HE1 TYR 926 -11.082 -8.399 -3.989 58 HE2 TYR 926 HE2 TYR 926 -7.397 -7.134 -5.731 59 HH TYR 926 HH TYR 926 -9.644 -7.304 -6.819 60 H GLU 927 H GLU 927 -7.699 -9.034 1.061 61 HA GLU 927 HA GLU 927 -9.536 -6.959 0.670 62 1HB GLU 927 HB1 GLU 927 -8.730 -8.608 3.051 63 2HB GLU 927 HB2 GLU 927 -10.012 -7.414 3.136 64 1HG GLU 927 HG1 GLU 927 -11.251 -8.592 1.408 65 2HG GLU 927 HG2 GLU 927 -9.943 -9.763 1.261 66 H ASN 928 H ASN 928 -6.808 -7.147 3.000 67 HA ASN 928 HA ASN 928 -7.421 -4.539 3.990 68 1HB ASN 928 HB1 ASN 928 -6.384 -6.374 5.356 69 2HB ASN 928 HB2 ASN 928 -4.876 -6.067 4.497 70 1HD2 ASN 928 2HD2 ASN 928 -7.256 -3.678 5.499 71 2HD2 ASN 928 1HD2 ASN 928 -6.208 -2.853 6.604 72 H VAL 929 H VAL 929 -5.050 -5.761 1.670 73 HA VAL 929 HA VAL 929 -3.636 -3.306 1.569 74 HB VAL 929 HB VAL 929 -3.815 -5.309 -0.693 75 1HG1 VAL 929 1HG1 VAL 929 -1.794 -3.170 0.007 76 2HG1 VAL 929 2HG1 VAL 929 -1.630 -4.342 -1.299 77 3HG1 VAL 929 3HG1 VAL 929 -2.915 -3.134 -1.352 78 1HG2 VAL 929 1HG2 VAL 929 -3.130 -6.361 1.391 79 2HG2 VAL 929 2HG2 VAL 929 -1.768 -6.226 0.278 80 3HG2 VAL 929 3HG2 VAL 929 -1.912 -5.109 1.637 81 H THR 930 H THR 930 -6.411 -4.470 -0.407 82 HA THR 930 HA THR 930 -6.971 -2.096 -1.698 83 HB THR 930 HB THR 930 -8.958 -3.943 -0.348 84 HG1 THR 930 HG1 THR 930 -7.968 -5.216 -1.793 85 1HG2 THR 930 1HG2 THR 930 -9.341 -1.978 -2.614 86 2HG2 THR 930 2HG2 THR 930 -10.553 -3.115 -2.025 87 3HG2 THR 930 3HG2 THR 930 -9.984 -1.815 -0.979 88 H GLY 931 H GLY 931 -7.054 -2.841 1.654 89 1HA GLY 931 HA1 GLY 931 -8.642 -0.626 2.548 90 2HA GLY 931 HA2 GLY 931 -7.594 -1.629 3.543 91 H LEU 932 H LEU 932 -5.247 -1.132 1.792 92 HA LEU 932 HA LEU 932 -4.219 1.248 2.905 93 1HB LEU 932 HB1 LEU 932 -2.921 -0.705 1.866 94 2HB LEU 932 HB2 LEU 932 -3.310 -0.007 0.308 95 HG LEU 932 HG LEU 932 -1.790 1.516 2.426 96 1HD1 LEU 932 1HD1 LEU 932 0.249 0.914 1.225 97 2HD1 LEU 932 2HD1 LEU 932 -0.547 -0.507 1.899 98 3HD1 LEU 932 3HD1 LEU 932 -0.682 -0.156 0.176 99 1HD2 LEU 932 1HD2 LEU 932 -1.038 2.865 0.538 100 2HD2 LEU 932 2HD2 LEU 932 -1.997 1.876 -0.564 101 3HD2 LEU 932 3HD2 LEU 932 -2.797 2.872 0.653 102 H VAL 933 H VAL 933 -5.733 0.474 -0.184 103 HA VAL 933 HA VAL 933 -5.644 3.028 -1.340 104 HB VAL 933 HB VAL 933 -7.829 0.968 -1.679 105 1HG1 VAL 933 1HG1 VAL 933 -6.920 3.215 -3.475 106 2HG1 VAL 933 2HG1 VAL 933 -8.143 2.009 -3.876 107 3HG1 VAL 933 3HG1 VAL 933 -8.429 3.152 -2.563 108 1HG2 VAL 933 1HG2 VAL 933 -6.544 0.143 -3.583 109 2HG2 VAL 933 2HG2 VAL 933 -5.258 1.295 -3.224 110 3HG2 VAL 933 3HG2 VAL 933 -5.621 -0.003 -2.088 111 H LYS 934 H LYS 934 -8.090 1.482 0.660 112 HA LYS 934 HA LYS 934 -9.942 3.524 0.886 113 1HB LYS 934 HB1 LYS 934 -9.135 1.743 3.188 114 2HB LYS 934 HB2 LYS 934 -10.678 2.547 2.963 115 1HG LYS 934 HG1 LYS 934 -9.589 0.321 1.254 116 2HG LYS 934 HG2 LYS 934 -10.808 0.155 2.513 117 1HD LYS 934 HD1 LYS 934 -12.242 0.352 0.785 118 2HD LYS 934 HD2 LYS 934 -11.941 2.079 0.987 119 1HE LYS 934 HE1 LYS 934 -10.319 2.073 -0.766 120 2HE LYS 934 HE2 LYS 934 -10.339 0.314 -0.858 121 1HZ LYS 934 HZ1 LYS 934 -12.617 2.105 -1.536 122 2HZ LYS 934 HZ2 LYS 934 -11.617 1.313 -2.656 123 3HZ LYS 934 HZ3 LYS 934 -12.627 0.409 -1.631 124 H ALA 935 H ALA 935 -6.990 3.007 2.783 125 HA ALA 935 HA ALA 935 -7.438 5.282 4.456 126 1HB ALA 935 HB1 ALA 935 -5.210 4.835 5.339 127 2HB ALA 935 HB2 ALA 935 -6.171 3.358 5.250 128 3HB ALA 935 HB3 ALA 935 -4.926 3.674 4.042 129 H VAL 936 H VAL 936 -5.700 4.763 1.422 130 HA VAL 936 HA VAL 936 -4.505 7.363 1.550 131 HB VAL 936 HB VAL 936 -3.513 5.510 0.199 132 1HG1 VAL 936 1HG1 VAL 936 -4.352 5.016 -2.000 133 2HG1 VAL 936 2HG1 VAL 936 -5.631 4.729 -0.820 134 3HG1 VAL 936 3HG1 VAL 936 -5.657 6.188 -1.806 135 1HG2 VAL 936 1HG2 VAL 936 -4.099 8.070 -1.270 136 2HG2 VAL 936 2HG2 VAL 936 -2.792 7.792 -0.119 137 3HG2 VAL 936 3HG2 VAL 936 -2.807 6.935 -1.661 138 H ILE 937 H ILE 937 -7.560 6.088 0.638 139 HA ILE 937 HA ILE 937 -8.545 8.340 -0.772 140 HB ILE 937 HB ILE 937 -9.999 6.283 0.903 141 1HG1 ILE 937 1HG1 ILE 937 -8.969 5.377 -1.110 142 2HG1 ILE 937 2HG1 ILE 937 -10.720 5.401 -1.286 143 1HG2 ILE 937 1HG2 ILE 937 -11.214 8.356 -0.921 144 2HG2 ILE 937 2HG2 ILE 937 -12.079 7.075 -0.073 145 3HG2 ILE 937 3HG2 ILE 937 -11.294 8.362 0.841 146 1HD1 ILE 937 1HD1 ILE 937 -9.615 6.085 -3.334 147 2HD1 ILE 937 2HD1 ILE 937 -10.555 7.413 -2.654 148 3HD1 ILE 937 3HD1 ILE 937 -8.800 7.392 -2.474 149 H GLU 938 H GLU 938 -7.958 7.631 2.580 150 HA GLU 938 HA GLU 938 -9.373 9.791 3.733 151 1HB GLU 938 HB1 GLU 938 -6.847 8.395 4.643 152 2HB GLU 938 HB2 GLU 938 -7.730 9.573 5.607 153 1HG GLU 938 HG1 GLU 938 -8.722 6.888 4.676 154 2HG GLU 938 HG2 GLU 938 -8.365 7.387 6.330 155 H MET 939 H MET 939 -6.084 9.465 2.556 156 HA MET 939 HA MET 939 -5.162 12.001 3.156 157 1HB MET 939 HB1 MET 939 -3.325 11.529 1.932 158 2HB MET 939 HB2 MET 939 -4.031 9.925 1.845 159 1HG MET 939 HG1 MET 939 -4.901 10.360 -0.341 160 2HG MET 939 HG2 MET 939 -4.426 12.054 -0.244 161 1HE MET 939 HE1 MET 939 -2.072 10.507 -3.000 162 2HE MET 939 HE2 MET 939 -3.732 10.021 -2.656 163 3HE MET 939 HE3 MET 939 -3.296 11.731 -2.658 164 H SER 940 H SER 940 -7.085 11.037 0.312 165 HA SER 940 HA SER 940 -7.020 13.678 -0.789 166 1HB SER 940 HB1 SER 940 -8.893 12.733 -2.268 167 2HB SER 940 HB2 SER 940 -7.307 11.972 -2.381 168 HG SER 940 HG SER 940 -9.679 11.012 -1.211 169 H SER 941 H SER 941 -9.209 11.956 1.360 170 HA SER 941 HA SER 941 -11.316 13.891 1.021 171 1HB SER 941 HB1 SER 941 -12.327 12.630 3.003 172 2HB SER 941 HB2 SER 941 -12.061 11.705 1.525 173 HG SER 941 HG SER 941 -10.507 10.592 2.467 174 H LYS 942 H LYS 942 -8.990 13.104 3.575 175 HA LYS 942 HA LYS 942 -9.952 15.104 5.339 176 1HB LYS 942 HB1 LYS 942 -8.326 14.405 6.829 177 2HB LYS 942 HB2 LYS 942 -8.571 12.965 5.861 178 1HG LYS 942 HG1 LYS 942 -6.309 12.998 5.933 179 2HG LYS 942 HG2 LYS 942 -6.563 13.972 4.483 180 1HD LYS 942 HD1 LYS 942 -4.935 15.050 5.911 181 2HD LYS 942 HD2 LYS 942 -6.421 16.008 5.856 182 1HE LYS 942 HE1 LYS 942 -5.519 15.862 8.133 183 2HE LYS 942 HE2 LYS 942 -7.108 15.115 8.004 184 1HZ LYS 942 HZ1 LYS 942 -6.039 12.945 7.911 185 2HZ LYS 942 HZ2 LYS 942 -4.515 13.659 8.040 186 3HZ LYS 942 HZ3 LYS 942 -5.612 13.768 9.327 187 H ILE 943 H ILE 943 -7.754 15.169 2.651 188 HA ILE 943 HA ILE 943 -6.623 17.713 3.390 189 HB ILE 943 HB ILE 943 -5.468 16.024 1.868 190 1HG1 ILE 943 1HG1 ILE 943 -4.439 17.813 0.484 191 2HG1 ILE 943 2HG1 ILE 943 -5.738 18.900 0.963 192 1HG2 ILE 943 1HG2 ILE 943 -7.327 15.565 0.362 193 2HG2 ILE 943 2HG2 ILE 943 -7.319 17.244 -0.178 194 3HG2 ILE 943 3HG2 ILE 943 -5.942 16.199 -0.527 195 1HD1 ILE 943 1HD1 ILE 943 -5.019 18.766 3.276 196 2HD1 ILE 943 2HD1 ILE 943 -3.748 17.629 2.827 197 3HD1 ILE 943 3HD1 ILE 943 -3.695 19.290 2.237 198 H GLN 944 H GLN 944 -9.466 16.614 1.725 199 HA GLN 944 HA GLN 944 -10.171 18.785 0.193 200 1HB GLN 944 HB1 GLN 944 -11.919 17.058 1.938 201 2HB GLN 944 HB2 GLN 944 -12.570 18.289 0.867 202 1HG GLN 944 HG1 GLN 944 -10.936 15.905 0.034 203 2HG GLN 944 HG2 GLN 944 -12.677 16.077 -0.132 204 1HE2 GLN 944 2HE2 GLN 944 -9.610 16.901 -1.373 205 2HE2 GLN 944 1HE2 GLN 944 -10.150 17.742 -2.789 206 HA PRO 945 HA PRO 945 -11.470 21.380 3.870 207 1HB PRO 945 HB1 PRO 945 -11.902 20.406 6.308 208 2HB PRO 945 HB2 PRO 945 -13.055 20.111 5.001 209 1HG PRO 945 HG1 PRO 945 -11.069 18.276 6.225 210 2HG PRO 945 HG2 PRO 945 -12.655 17.910 5.524 211 1HD PRO 945 HD1 PRO 945 -10.115 17.646 4.275 212 2HD PRO 945 HD2 PRO 945 -11.708 17.448 3.521 213 H ALA 946 H ALA 946 -8.633 20.374 3.452 214 HA ALA 946 HA ALA 946 -7.491 21.373 5.975 215 1HB ALA 946 HB1 ALA 946 -7.439 18.928 5.938 216 2HB ALA 946 HB2 ALA 946 -6.484 18.985 4.457 217 3HB ALA 946 HB3 ALA 946 -5.825 19.638 5.956 218 HA PRO 947 HA PRO 947 -4.541 23.491 3.332 219 1HB PRO 947 HB1 PRO 947 -3.048 24.565 5.240 220 2HB PRO 947 HB2 PRO 947 -4.755 25.005 5.112 221 1HG PRO 947 HG1 PRO 947 -3.416 23.135 7.018 222 2HG PRO 947 HG2 PRO 947 -4.720 24.298 7.316 223 1HD PRO 947 HD1 PRO 947 -5.039 21.555 6.845 224 2HD PRO 947 HD2 PRO 947 -6.317 22.782 6.761 225 HA PRO 948 HA PRO 948 -0.614 21.295 2.861 226 1HB PRO 948 HB1 PRO 948 1.302 23.066 3.871 227 2HB PRO 948 HB2 PRO 948 0.738 22.985 2.200 228 1HG PRO 948 HG1 PRO 948 -0.099 24.823 4.396 229 2HG PRO 948 HG2 PRO 948 0.084 25.148 2.662 230 1HD PRO 948 HD1 PRO 948 -2.334 24.845 3.762 231 2HD PRO 948 HD2 PRO 948 -1.979 24.202 2.144 232 H GLU 949 H GLU 949 -1.073 22.884 5.947 233 HA GLU 949 HA GLU 949 0.732 21.445 7.489 234 1HB GLU 949 HB1 GLU 949 -1.937 22.650 8.192 235 2HB GLU 949 HB2 GLU 949 -0.849 21.949 9.387 236 1HG GLU 949 HG1 GLU 949 -0.358 24.329 7.622 237 2HG GLU 949 HG2 GLU 949 -0.487 24.291 9.382 238 H GLU 950 H GLU 950 -2.410 20.535 6.238 239 HA GLU 950 HA GLU 950 -2.176 17.976 7.638 240 1HB GLU 950 HB1 GLU 950 -4.487 19.154 6.114 241 2HB GLU 950 HB2 GLU 950 -4.470 17.540 6.813 242 1HG GLU 950 HG1 GLU 950 -4.190 20.112 8.351 243 2HG GLU 950 HG2 GLU 950 -5.661 19.150 8.214 244 H TYR 951 H TYR 951 -1.193 19.305 4.789 245 HA TYR 951 HA TYR 951 -1.667 17.263 2.921 246 1HB TYR 951 HB1 TYR 951 0.285 19.445 3.206 247 2HB TYR 951 HB2 TYR 951 0.926 18.037 2.370 248 HD1 TYR 951 HD1 TYR 951 0.128 17.417 0.184 249 HD2 TYR 951 HD2 TYR 951 -1.555 20.737 2.237 250 HE1 TYR 951 HE1 TYR 951 -0.913 18.177 -1.908 251 HE2 TYR 951 HE2 TYR 951 -2.603 21.504 0.156 252 HH TYR 951 HH TYR 951 -3.010 19.648 -2.503 253 H VAL 952 H VAL 952 0.865 17.670 5.383 254 HA VAL 952 HA VAL 952 1.893 15.059 4.793 255 HB VAL 952 HB VAL 952 3.616 16.265 5.607 256 1HG1 VAL 952 1HG1 VAL 952 3.565 17.733 7.598 257 2HG1 VAL 952 2HG1 VAL 952 2.449 18.240 6.331 258 3HG1 VAL 952 3HG1 VAL 952 1.841 17.406 7.761 259 1HG2 VAL 952 1HG2 VAL 952 4.260 15.439 7.813 260 2HG2 VAL 952 2HG2 VAL 952 2.600 14.918 8.103 261 3HG2 VAL 952 3HG2 VAL 952 3.549 14.167 6.820 262 HA PRO 953 HA PRO 953 -0.605 13.693 8.825 263 1HB PRO 953 HB1 PRO 953 -2.825 15.603 8.342 264 2HB PRO 953 HB2 PRO 953 -2.273 14.878 9.864 265 1HG PRO 953 HG1 PRO 953 -1.629 17.380 9.312 266 2HG PRO 953 HG2 PRO 953 -0.420 16.287 10.014 267 1HD PRO 953 HD1 PRO 953 -0.714 17.232 7.193 268 2HD PRO 953 HD2 PRO 953 0.759 16.959 8.144 269 H MET 954 H MET 954 -1.915 14.824 5.710 270 HA MET 954 HA MET 954 -3.952 12.821 5.707 271 1HB MET 954 HB1 MET 954 -4.442 13.420 3.472 272 2HB MET 954 HB2 MET 954 -3.978 14.912 4.268 273 1HG MET 954 HG1 MET 954 -1.821 14.857 3.234 274 2HG MET 954 HG2 MET 954 -2.155 13.275 2.534 275 1HE MET 954 HE1 MET 954 -1.101 15.698 0.778 276 2HE MET 954 HE2 MET 954 -1.490 14.108 0.124 277 3HE MET 954 HE3 MET 954 -2.150 15.558 -0.633 278 H VAL 955 H VAL 955 -0.662 13.053 4.441 279 HA VAL 955 HA VAL 955 -0.607 10.443 3.389 280 HB VAL 955 HB VAL 955 1.216 12.372 3.224 281 1HG1 VAL 955 1HG1 VAL 955 1.883 12.331 5.549 282 2HG1 VAL 955 2HG1 VAL 955 2.300 10.623 5.413 283 3HG1 VAL 955 3HG1 VAL 955 3.215 11.829 4.508 284 1HG2 VAL 955 1HG2 VAL 955 1.107 10.333 1.885 285 2HG2 VAL 955 2HG2 VAL 955 2.764 10.710 2.357 286 3HG2 VAL 955 3HG2 VAL 955 1.876 9.436 3.193 287 H LYS 956 H LYS 956 -0.356 11.665 6.632 288 HA LYS 956 HA LYS 956 0.711 9.436 7.934 289 1HB LYS 956 HB1 LYS 956 0.124 11.593 9.041 290 2HB LYS 956 HB2 LYS 956 -1.575 11.151 8.922 291 1HG LYS 956 HG1 LYS 956 -1.061 9.123 10.280 292 2HG LYS 956 HG2 LYS 956 0.561 9.774 10.526 293 1HD LYS 956 HD1 LYS 956 -0.423 11.792 11.526 294 2HD LYS 956 HD2 LYS 956 -2.031 11.099 11.315 295 1HE LYS 956 HE1 LYS 956 -1.333 9.191 12.743 296 2HE LYS 956 HE2 LYS 956 0.197 10.019 13.034 297 1HZ LYS 956 HZ1 LYS 956 -1.077 11.884 13.969 298 2HZ LYS 956 HZ2 LYS 956 -2.509 10.998 13.763 299 3HZ LYS 956 HZ3 LYS 956 -1.319 10.442 14.833 300 H GLU 957 H GLU 957 -2.675 10.113 7.045 301 HA GLU 957 HA GLU 957 -3.867 7.773 7.712 302 1HB GLU 957 HB1 GLU 957 -4.380 9.043 5.025 303 2HB GLU 957 HB2 GLU 957 -5.526 8.238 6.084 304 1HG GLU 957 HG1 GLU 957 -4.206 10.894 6.603 305 2HG GLU 957 HG2 GLU 957 -5.858 10.648 6.050 306 H VAL 958 H VAL 958 -2.082 8.328 4.616 307 HA VAL 958 HA VAL 958 -2.362 5.621 3.789 308 HB VAL 958 HB VAL 958 -1.082 6.087 1.945 309 1HG1 VAL 958 1HG1 VAL 958 -1.799 8.856 2.899 310 2HG1 VAL 958 2HG1 VAL 958 -1.438 8.394 1.236 311 3HG1 VAL 958 3HG1 VAL 958 -2.859 7.738 2.042 312 1HG2 VAL 958 1HG2 VAL 958 0.792 7.668 1.857 313 2HG2 VAL 958 2HG2 VAL 958 0.557 8.025 3.568 314 3HG2 VAL 958 3HG2 VAL 958 1.032 6.404 3.064 315 H GLY 959 H GLY 959 -0.185 7.225 5.957 316 1HA GLY 959 HA1 GLY 959 1.808 5.219 6.117 317 2HA GLY 959 HA2 GLY 959 1.413 6.380 7.379 318 H LEU 960 H LEU 960 -1.201 5.755 7.914 319 HA LEU 960 HA LEU 960 -1.055 3.367 9.447 320 1HB LEU 960 HB1 LEU 960 -3.484 4.980 8.653 321 2HB LEU 960 HB2 LEU 960 -3.416 3.788 9.935 322 HG LEU 960 HG LEU 960 -1.905 6.400 9.895 323 1HD1 LEU 960 1HD1 LEU 960 -4.310 5.523 11.485 324 2HD1 LEU 960 2HD1 LEU 960 -3.426 7.033 11.708 325 3HD1 LEU 960 3HD1 LEU 960 -4.289 6.731 10.200 326 1HD2 LEU 960 1HD2 LEU 960 -2.146 4.317 12.061 327 2HD2 LEU 960 2HD2 LEU 960 -0.710 4.617 11.080 328 3HD2 LEU 960 3HD2 LEU 960 -1.301 5.860 12.185 329 H ALA 961 H ALA 961 -1.470 3.870 6.227 330 HA ALA 961 HA ALA 961 -3.427 1.795 5.692 331 1HB ALA 961 HB1 ALA 961 -3.008 2.249 3.339 332 2HB ALA 961 HB2 ALA 961 -3.307 3.747 4.220 333 3HB ALA 961 HB3 ALA 961 -1.661 3.302 3.768 334 H LEU 962 H LEU 962 0.047 2.261 4.825 335 HA LEU 962 HA LEU 962 0.467 -0.488 4.310 336 1HB LEU 962 HB1 LEU 962 2.009 0.986 3.366 337 2HB LEU 962 HB2 LEU 962 2.293 1.814 4.883 338 HG LEU 962 HG LEU 962 3.145 -1.047 4.628 339 1HD1 LEU 962 1HD1 LEU 962 5.276 -0.346 3.699 340 2HD1 LEU 962 2HD1 LEU 962 3.963 0.068 2.598 341 3HD1 LEU 962 3HD1 LEU 962 4.704 1.318 3.596 342 1HD2 LEU 962 1HD2 LEU 962 3.336 0.066 6.796 343 2HD2 LEU 962 2HD2 LEU 962 4.933 -0.270 6.126 344 3HD2 LEU 962 3HD2 LEU 962 4.276 1.364 6.058 345 H ARG 963 H ARG 963 0.509 1.356 7.287 346 HA ARG 963 HA ARG 963 1.896 -0.473 8.899 347 1HB ARG 963 HB1 ARG 963 -0.206 1.584 9.479 348 2HB ARG 963 HB2 ARG 963 0.337 0.498 10.751 349 1HG ARG 963 HG1 ARG 963 2.652 1.264 10.368 350 2HG ARG 963 HG2 ARG 963 2.043 2.411 9.173 351 1HD ARG 963 HD1 ARG 963 0.795 3.586 10.827 352 2HD ARG 963 HD2 ARG 963 1.105 2.337 12.032 353 HE ARG 963 HE ARG 963 3.107 4.240 10.981 354 1HH1 ARG 963 2HH1 ARG 963 1.991 1.982 13.418 355 2HH1 ARG 963 1HH1 ARG 963 3.257 2.370 14.549 356 1HH2 ARG 963 2HH2 ARG 963 4.797 4.738 12.446 357 2HH2 ARG 963 1HH2 ARG 963 4.869 3.930 13.984 358 H THR 964 H THR 964 -1.675 -0.109 8.775 359 HA THR 964 HA THR 964 -2.341 -2.538 9.891 360 HB THR 964 HB THR 964 -3.899 -1.318 7.611 361 HG1 THR 964 HG1 THR 964 -3.676 0.443 8.850 362 1HG2 THR 964 1HG2 THR 964 -5.829 -2.075 8.936 363 2HG2 THR 964 2HG2 THR 964 -4.770 -3.413 8.497 364 3HG2 THR 964 3HG2 THR 964 -4.727 -2.757 10.133 365 H LEU 965 H LEU 965 -1.180 -1.836 6.713 366 HA LEU 965 HA LEU 965 -2.042 -4.223 5.413 367 1HB LEU 965 HB1 LEU 965 -1.570 -2.410 3.999 368 2HB LEU 965 HB2 LEU 965 -0.041 -2.078 4.780 369 HG LEU 965 HG LEU 965 -0.308 -4.663 3.324 370 1HD1 LEU 965 1HD1 LEU 965 0.055 -1.989 1.982 371 2HD1 LEU 965 2HD1 LEU 965 0.268 -3.564 1.216 372 3HD1 LEU 965 3HD1 LEU 965 -1.325 -3.070 1.792 373 1HD2 LEU 965 1HD2 LEU 965 1.753 -4.144 4.500 374 2HD2 LEU 965 2HD2 LEU 965 2.030 -4.132 2.758 375 3HD2 LEU 965 3HD2 LEU 965 1.884 -2.609 3.637 376 H LEU 966 H LEU 966 0.970 -3.171 6.914 377 HA LEU 966 HA LEU 966 2.531 -5.412 6.649 378 1HB LEU 966 HB1 LEU 966 3.248 -3.290 7.679 379 2HB LEU 966 HB2 LEU 966 2.291 -3.657 9.098 380 HG LEU 966 HG LEU 966 4.416 -5.600 8.302 381 1HD1 LEU 966 1HD1 LEU 966 5.509 -3.410 8.116 382 2HD1 LEU 966 2HD1 LEU 966 4.948 -2.997 9.736 383 3HD1 LEU 966 3HD1 LEU 966 6.097 -4.314 9.512 384 1HD2 LEU 966 1HD2 LEU 966 2.921 -6.070 10.195 385 2HD2 LEU 966 2HD2 LEU 966 4.592 -5.870 10.719 386 3HD2 LEU 966 3HD2 LEU 966 3.430 -4.566 10.964 387 H ALA 967 H ALA 967 -0.132 -4.933 8.932 388 HA ALA 967 HA ALA 967 0.221 -7.302 10.409 389 1HB ALA 967 HB1 ALA 967 -1.349 -5.544 11.081 390 2HB ALA 967 HB2 ALA 967 -2.378 -5.940 9.705 391 3HB ALA 967 HB3 ALA 967 -2.138 -7.119 10.994 392 H THR 968 H THR 968 -1.836 -6.700 7.559 393 HA THR 968 HA THR 968 -2.475 -9.328 6.944 394 HB THR 968 HB THR 968 -2.175 -6.842 5.305 395 HG1 THR 968 HG1 THR 968 -4.514 -8.177 5.138 396 1HG2 THR 968 1HG2 THR 968 -1.447 -8.629 3.825 397 2HG2 THR 968 2HG2 THR 968 -2.892 -9.561 4.223 398 3HG2 THR 968 3HG2 THR 968 -3.036 -8.032 3.353 399 H VAL 969 H VAL 969 0.383 -7.453 5.861 400 HA VAL 969 HA VAL 969 1.668 -9.389 4.402 401 HB VAL 969 HB VAL 969 2.837 -7.295 6.240 402 1HG1 VAL 969 1HG1 VAL 969 4.483 -9.083 5.937 403 2HG1 VAL 969 2HG1 VAL 969 4.295 -8.960 4.188 404 3HG1 VAL 969 3HG1 VAL 969 4.969 -7.609 5.099 405 1HG2 VAL 969 1HG2 VAL 969 2.489 -7.422 3.249 406 2HG2 VAL 969 2HG2 VAL 969 1.559 -6.429 4.372 407 3HG2 VAL 969 3HG2 VAL 969 3.279 -6.117 4.134 408 H ASP 970 H ASP 970 1.351 -9.179 7.886 409 HA ASP 970 HA ASP 970 3.256 -11.222 8.456 410 1HB ASP 970 HB1 ASP 970 2.648 -9.601 10.166 411 2HB ASP 970 HB2 ASP 970 0.969 -10.122 10.099 412 H GLU 971 H GLU 971 -0.140 -11.293 7.625 413 HA GLU 971 HA GLU 971 -0.476 -14.082 8.113 414 1HB GLU 971 HB1 GLU 971 -1.787 -12.406 5.961 415 2HB GLU 971 HB2 GLU 971 -2.373 -13.934 6.607 416 1HG GLU 971 HG1 GLU 971 -2.061 -11.424 8.224 417 2HG GLU 971 HG2 GLU 971 -3.568 -11.935 7.450 418 H SER 972 H SER 972 0.520 -12.160 5.331 419 HA SER 972 HA SER 972 0.995 -14.306 3.588 420 1HB SER 972 HB1 SER 972 0.609 -11.990 2.875 421 2HB SER 972 HB2 SER 972 2.142 -11.509 3.613 422 HG SER 972 HG SER 972 3.244 -12.591 2.089 423 H LEU 973 H LEU 973 2.799 -12.972 6.207 424 HA LEU 973 HA LEU 973 5.407 -13.610 5.408 425 1HB LEU 973 HB1 LEU 973 4.488 -12.201 7.425 426 2HB LEU 973 HB2 LEU 973 4.598 -13.719 8.291 427 HG LEU 973 HG LEU 973 6.558 -12.249 8.641 428 1HD1 LEU 973 1HD1 LEU 973 8.286 -13.931 8.238 429 2HD1 LEU 973 2HD1 LEU 973 6.820 -14.651 8.905 430 3HD1 LEU 973 3HD1 LEU 973 7.179 -14.814 7.185 431 1HD2 LEU 973 1HD2 LEU 973 8.156 -11.915 6.825 432 2HD2 LEU 973 2HD2 LEU 973 7.056 -12.717 5.704 433 3HD2 LEU 973 3HD2 LEU 973 6.595 -11.187 6.448 434 HA PRO 974 HA PRO 974 4.929 -17.976 7.514 435 1HB PRO 974 HB1 PRO 974 2.273 -18.830 7.509 436 2HB PRO 974 HB2 PRO 974 3.213 -18.395 8.941 437 1HG PRO 974 HG1 PRO 974 1.229 -16.795 7.411 438 2HG PRO 974 HG2 PRO 974 1.565 -16.812 9.151 439 1HD PRO 974 HD1 PRO 974 2.410 -14.814 7.561 440 2HD PRO 974 HD2 PRO 974 3.364 -15.374 8.946 441 H VAL 975 H VAL 975 2.727 -16.579 5.130 442 HA VAL 975 HA VAL 975 2.857 -18.933 3.420 443 HB VAL 975 HB VAL 975 2.224 -16.246 2.295 444 1HG1 VAL 975 1HG1 VAL 975 2.289 -18.206 0.848 445 2HG1 VAL 975 2HG1 VAL 975 1.123 -19.027 1.886 446 3HG1 VAL 975 3HG1 VAL 975 0.644 -17.586 0.987 447 1HG2 VAL 975 1HG2 VAL 975 0.356 -17.882 4.008 448 2HG2 VAL 975 2HG2 VAL 975 1.022 -16.301 4.417 449 3HG2 VAL 975 3HG2 VAL 975 -0.090 -16.464 3.058 450 H LEU 976 H LEU 976 4.948 -16.358 4.101 451 HA LEU 976 HA LEU 976 6.370 -16.198 1.683 452 1HB LEU 976 HB1 LEU 976 6.693 -14.408 3.097 453 2HB LEU 976 HB2 LEU 976 6.958 -15.411 4.508 454 HG LEU 976 HG LEU 976 8.997 -15.401 2.314 455 1HD1 LEU 976 1HD1 LEU 976 8.738 -13.287 4.451 456 2HD1 LEU 976 2HD1 LEU 976 10.093 -13.476 3.338 457 3HD1 LEU 976 3HD1 LEU 976 8.499 -13.041 2.722 458 1HD2 LEU 976 1HD2 LEU 976 9.240 -16.946 4.213 459 2HD2 LEU 976 2HD2 LEU 976 10.532 -15.746 4.168 460 3HD2 LEU 976 3HD2 LEU 976 9.208 -15.575 5.321 461 HA PRO 977 HA PRO 977 9.400 -19.577 3.434 462 1HB PRO 977 HB1 PRO 977 7.658 -20.994 5.361 463 2HB PRO 977 HB2 PRO 977 9.375 -20.595 5.481 464 1HG PRO 977 HG1 PRO 977 7.547 -19.302 6.935 465 2HG PRO 977 HG2 PRO 977 8.960 -18.463 6.266 466 1HD PRO 977 HD1 PRO 977 6.130 -18.487 5.293 467 2HD PRO 977 HD2 PRO 977 7.280 -17.139 5.386 468 H ALA 978 H ALA 978 5.908 -20.046 3.391 469 HA ALA 978 HA ALA 978 5.876 -22.574 2.165 470 1HB ALA 978 HB1 ALA 978 3.896 -21.547 3.178 471 2HB ALA 978 HB2 ALA 978 3.860 -20.347 1.888 472 3HB ALA 978 HB3 ALA 978 3.588 -22.049 1.515 473 H SER 979 H SER 979 5.568 -19.340 0.639 474 HA SER 979 HA SER 979 6.960 -20.174 -1.721 475 1HB SER 979 HB1 SER 979 3.946 -20.088 -1.705 476 2HB SER 979 HB2 SER 979 4.856 -19.791 -3.193 477 HG SER 979 HG SER 979 5.549 -22.041 -1.692 478 H THR 980 H THR 980 4.832 -17.874 -0.170 479 HA THR 980 HA THR 980 4.805 -15.804 -1.996 480 HB THR 980 HB THR 980 4.703 -15.607 1.007 481 HG1 THR 980 HG1 THR 980 2.492 -15.874 0.678 482 1HG2 THR 980 1HG2 THR 980 5.048 -13.423 -0.033 483 2HG2 THR 980 2HG2 THR 980 3.700 -13.726 -1.131 484 3HG2 THR 980 3HG2 THR 980 3.408 -13.564 0.601 485 H HIS 981 H HIS 981 7.535 -16.635 0.056 486 HA HIS 981 HA HIS 981 8.595 -14.165 0.596 487 1HB HIS 981 HB1 HIS 981 10.801 -15.179 0.759 488 2HB HIS 981 HB2 HIS 981 9.583 -16.212 1.482 489 HD1 HIS 981 HD1 HIS 981 9.330 -18.555 0.538 490 HD2 HIS 981 HD2 HIS 981 11.982 -16.187 -1.616 491 HE1 HIS 981 HE1 HIS 981 10.552 -20.130 -1.001 492 HE2 HIS 981 HE2 HIS 981 12.325 -18.706 -2.089 493 H ARG 982 H ARG 982 8.795 -15.822 -2.490 494 HA ARG 982 HA ARG 982 10.560 -14.036 -3.748 495 1HB ARG 982 HB1 ARG 982 8.197 -15.496 -4.923 496 2HB ARG 982 HB2 ARG 982 9.356 -14.592 -5.884 497 1HG ARG 982 HG1 ARG 982 11.137 -16.101 -4.918 498 2HG ARG 982 HG2 ARG 982 9.817 -17.090 -4.284 499 1HD ARG 982 HD1 ARG 982 10.277 -16.388 -7.184 500 2HD ARG 982 HD2 ARG 982 10.612 -17.946 -6.432 501 HE ARG 982 HE ARG 982 8.296 -18.360 -6.282 502 1HH1 ARG 982 2HH1 ARG 982 9.023 -15.326 -7.884 503 2HH1 ARG 982 1HH1 ARG 982 7.443 -15.165 -8.592 504 1HH2 ARG 982 2HH2 ARG 982 6.218 -18.170 -7.259 505 2HH2 ARG 982 1HH2 ARG 982 5.859 -16.783 -8.251 506 H GLU 983 H GLU 983 6.965 -13.861 -3.738 507 HA GLU 983 HA GLU 983 7.015 -11.356 -5.081 508 1HB GLU 983 HB1 GLU 983 5.082 -13.237 -4.793 509 2HB GLU 983 HB2 GLU 983 4.562 -12.045 -3.622 510 1HG GLU 983 HG1 GLU 983 3.559 -11.101 -5.388 511 2HG GLU 983 HG2 GLU 983 5.185 -10.462 -5.718 512 H ILE 984 H ILE 984 6.349 -12.333 -1.742 513 HA ILE 984 HA ILE 984 5.273 -9.908 -0.921 514 HB ILE 984 HB ILE 984 5.100 -11.947 0.415 515 1HG1 ILE 984 1HG1 ILE 984 6.433 -9.660 1.889 516 2HG1 ILE 984 2HG1 ILE 984 4.724 -9.766 1.478 517 1HG2 ILE 984 1HG2 ILE 984 6.980 -12.654 1.843 518 2HG2 ILE 984 2HG2 ILE 984 7.330 -12.840 0.124 519 3HG2 ILE 984 3HG2 ILE 984 8.019 -11.488 1.024 520 1HD1 ILE 984 1HD1 ILE 984 6.224 -11.579 3.352 521 2HD1 ILE 984 2HD1 ILE 984 5.066 -10.326 3.797 522 3HD1 ILE 984 3HD1 ILE 984 4.525 -11.752 2.909 523 H GLU 985 H GLU 985 8.635 -10.938 -1.150 524 HA GLU 985 HA GLU 985 9.601 -8.618 0.203 525 1HB GLU 985 HB1 GLU 985 11.814 -9.358 -0.330 526 2HB GLU 985 HB2 GLU 985 10.863 -10.746 0.162 527 1HG GLU 985 HG1 GLU 985 11.990 -11.612 -1.611 528 2HG GLU 985 HG2 GLU 985 10.528 -11.045 -2.413 529 H MET 986 H MET 986 8.905 -9.389 -3.191 530 HA MET 986 HA MET 986 10.401 -7.257 -4.240 531 1HB MET 986 HB1 MET 986 9.263 -7.485 -6.308 532 2HB MET 986 HB2 MET 986 9.507 -9.088 -5.645 533 1HG MET 986 HG1 MET 986 7.203 -9.218 -4.987 534 2HG MET 986 HG2 MET 986 6.925 -7.551 -5.495 535 1HE MET 986 HE1 MET 986 7.986 -10.956 -8.432 536 2HE MET 986 HE2 MET 986 9.172 -10.181 -7.383 537 3HE MET 986 HE3 MET 986 7.893 -11.175 -6.685 538 H ALA 987 H ALA 987 6.914 -7.316 -3.507 539 HA ALA 987 HA ALA 987 6.678 -4.528 -4.063 540 1HB ALA 987 HB1 ALA 987 4.868 -6.084 -4.589 541 2HB ALA 987 HB2 ALA 987 4.647 -6.391 -2.866 542 3HB ALA 987 HB3 ALA 987 4.345 -4.781 -3.521 543 H GLN 988 H GLN 988 6.991 -6.485 -1.128 544 HA GLN 988 HA GLN 988 6.045 -4.536 0.646 545 1HB GLN 988 HB1 GLN 988 6.373 -6.767 1.456 546 2HB GLN 988 HB2 GLN 988 8.089 -6.711 1.086 547 1HG GLN 988 HG1 GLN 988 8.414 -5.008 2.800 548 2HG GLN 988 HG2 GLN 988 6.689 -5.039 3.163 549 1HE2 GLN 988 2HE2 GLN 988 7.120 -5.585 5.300 550 2HE2 GLN 988 1HE2 GLN 988 7.605 -7.186 5.746 551 H LYS 989 H LYS 989 9.366 -5.112 -0.531 552 HA LYS 989 HA LYS 989 10.526 -2.954 0.896 553 1HB LYS 989 HB1 LYS 989 11.434 -4.009 -1.791 554 2HB LYS 989 HB2 LYS 989 12.399 -3.111 -0.630 555 1HG LYS 989 HG1 LYS 989 12.082 -5.032 0.960 556 2HG LYS 989 HG2 LYS 989 11.380 -5.927 -0.388 557 1HD LYS 989 HD1 LYS 989 14.188 -4.876 -0.110 558 2HD LYS 989 HD2 LYS 989 13.666 -6.551 -0.283 559 1HE LYS 989 HE1 LYS 989 13.436 -4.403 -2.389 560 2HE LYS 989 HE2 LYS 989 14.653 -5.677 -2.347 561 1HZ LYS 989 HZ1 LYS 989 12.924 -7.322 -2.608 562 2HZ LYS 989 HZ2 LYS 989 11.727 -6.123 -2.569 563 3HZ LYS 989 HZ3 LYS 989 12.823 -6.180 -3.860 564 H LEU 990 H LEU 990 8.842 -3.258 -2.128 565 HA LEU 990 HA LEU 990 9.305 -0.678 -3.158 566 1HB LEU 990 HB1 LEU 990 8.535 -2.104 -4.758 567 2HB LEU 990 HB2 LEU 990 7.492 -2.964 -3.648 568 HG LEU 990 HG LEU 990 5.846 -1.153 -3.811 569 1HD1 LEU 990 1HD1 LEU 990 7.725 -0.047 -5.907 570 2HD1 LEU 990 2HD1 LEU 990 6.085 0.526 -5.601 571 3HD1 LEU 990 3HD1 LEU 990 7.328 0.709 -4.363 572 1HD2 LEU 990 1HD2 LEU 990 6.711 -2.358 -6.428 573 2HD2 LEU 990 2HD2 LEU 990 5.653 -3.093 -5.222 574 3HD2 LEU 990 3HD2 LEU 990 5.126 -1.653 -6.095 575 H LEU 991 H LEU 991 6.623 -1.989 -1.212 576 HA LEU 991 HA LEU 991 5.086 0.286 -0.844 577 1HB LEU 991 HB1 LEU 991 5.730 -1.644 1.372 578 2HB LEU 991 HB2 LEU 991 4.280 -0.680 1.178 579 HG LEU 991 HG LEU 991 5.006 -2.821 -0.791 580 1HD1 LEU 991 1HD1 LEU 991 4.973 -3.843 1.427 581 2HD1 LEU 991 2HD1 LEU 991 3.417 -3.087 1.768 582 3HD1 LEU 991 3HD1 LEU 991 3.543 -4.315 0.510 583 1HD2 LEU 991 1HD2 LEU 991 3.286 -1.178 -1.408 584 2HD2 LEU 991 2HD2 LEU 991 2.608 -2.793 -1.202 585 3HD2 LEU 991 3HD2 LEU 991 2.390 -1.579 0.057 586 H ASN 992 H ASN 992 7.598 -0.922 1.362 587 HA ASN 992 HA ASN 992 7.654 1.177 3.146 588 1HB ASN 992 HB1 ASN 992 8.872 -0.943 3.471 589 2HB ASN 992 HB2 ASN 992 10.014 -0.481 2.213 590 1HD2 ASN 992 2HD2 ASN 992 11.593 1.035 2.666 591 2HD2 ASN 992 1HD2 ASN 992 11.927 1.589 4.270 592 H SER 993 H SER 993 9.395 0.808 0.118 593 HA SER 993 HA SER 993 10.937 3.145 0.261 594 1HB SER 993 HB1 SER 993 11.440 1.359 -1.319 595 2HB SER 993 HB2 SER 993 9.898 1.604 -2.135 596 HG SER 993 HG SER 993 10.613 3.562 -2.887 597 H ASP 994 H ASP 994 7.795 2.549 -1.360 598 HA ASP 994 HA ASP 994 7.836 5.294 -2.287 599 1HB ASP 994 HB1 ASP 994 6.175 2.913 -2.948 600 2HB ASP 994 HB2 ASP 994 5.548 4.520 -3.313 601 H LEU 995 H LEU 995 5.714 3.353 -0.144 602 HA LEU 995 HA LEU 995 3.886 5.332 0.485 603 1HB LEU 995 HB1 LEU 995 3.956 2.914 1.353 604 2HB LEU 995 HB2 LEU 995 5.034 3.513 2.598 605 HG LEU 995 HG LEU 995 2.863 5.248 2.673 606 1HD1 LEU 995 1HD1 LEU 995 1.922 2.412 2.355 607 2HD1 LEU 995 2HD1 LEU 995 0.936 3.773 2.889 608 3HD1 LEU 995 3HD1 LEU 995 1.599 3.754 1.255 609 1HD2 LEU 995 1HD2 LEU 995 4.127 4.496 4.588 610 2HD2 LEU 995 2HD2 LEU 995 2.414 4.149 4.822 611 3HD2 LEU 995 3HD2 LEU 995 3.521 2.853 4.373 612 H ALA 996 H ALA 996 6.889 4.619 2.319 613 HA ALA 996 HA ALA 996 6.985 6.901 3.839 614 1HB ALA 996 HB1 ALA 996 9.356 5.498 2.616 615 2HB ALA 996 HB2 ALA 996 9.390 6.570 4.017 616 3HB ALA 996 HB3 ALA 996 8.537 5.029 4.107 617 H GLU 997 H GLU 997 8.177 6.528 0.539 618 HA GLU 997 HA GLU 997 9.368 9.066 0.310 619 1HB GLU 997 HB1 GLU 997 8.047 7.338 -1.746 620 2HB GLU 997 HB2 GLU 997 8.631 8.950 -2.153 621 1HG GLU 997 HG1 GLU 997 10.856 8.285 -1.307 622 2HG GLU 997 HG2 GLU 997 10.237 6.649 -1.093 623 H LEU 998 H LEU 998 6.041 8.035 -0.112 624 HA LEU 998 HA LEU 998 5.019 10.535 -0.922 625 1HB LEU 998 HB1 LEU 998 3.869 7.999 0.084 626 2HB LEU 998 HB2 LEU 998 2.866 9.431 0.235 627 HG LEU 998 HG LEU 998 2.370 8.219 -1.825 628 1HD1 LEU 998 1HD1 LEU 998 2.094 10.636 -1.776 629 2HD1 LEU 998 2HD1 LEU 998 3.767 10.848 -2.294 630 3HD1 LEU 998 3HD1 LEU 998 2.597 10.092 -3.376 631 1HD2 LEU 998 1HD2 LEU 998 4.037 8.111 -3.621 632 2HD2 LEU 998 2HD2 LEU 998 5.251 8.769 -2.523 633 3HD2 LEU 998 3HD2 LEU 998 4.537 7.190 -2.202 634 H ILE 999 H ILE 999 5.622 9.125 2.247 635 HA ILE 999 HA ILE 999 4.090 11.135 3.605 636 HB ILE 999 HB ILE 999 4.832 10.303 5.678 637 1HG1 ILE 999 1HG1 ILE 999 7.062 8.828 4.262 638 2HG1 ILE 999 2HG1 ILE 999 7.264 10.302 5.204 639 1HG2 ILE 999 1HG2 ILE 999 3.343 8.792 4.517 640 2HG2 ILE 999 2HG2 ILE 999 4.715 7.987 3.755 641 3HG2 ILE 999 3HG2 ILE 999 4.490 7.881 5.501 642 1HD1 ILE 999 1HD1 ILE 999 6.306 7.650 6.262 643 2HD1 ILE 999 2HD1 ILE 999 7.919 8.334 6.469 644 3HD1 ILE 999 3HD1 ILE 999 6.525 9.124 7.206 645 H ASN1000 H ASN1000 6.913 11.319 1.913 646 HA ASN1000 HA ASN1000 7.841 13.621 3.510 647 1HB ASN1000 HB1 ASN1000 9.434 11.828 1.642 648 2HB ASN1000 HB2 ASN1000 10.038 13.317 2.357 649 1HD2 ASN1000 2HD2 ASN1000 8.767 10.146 3.100 650 2HD2 ASN1000 1HD2 ASN1000 9.674 9.926 4.558 651 H LYS1001 H LYS1001 6.527 12.427 0.538 652 HA LYS1001 HA LYS1001 7.159 14.742 -1.008 653 1HB LYS1001 HB1 LYS1001 4.741 12.961 -1.377 654 2HB LYS1001 HB2 LYS1001 5.499 13.988 -2.579 655 1HG LYS1001 HG1 LYS1001 6.678 11.501 -1.370 656 2HG LYS1001 HG2 LYS1001 5.984 11.653 -2.981 657 1HD LYS1001 HD1 LYS1001 8.329 13.292 -2.058 658 2HD LYS1001 HD2 LYS1001 8.512 11.712 -2.817 659 1HE LYS1001 HE1 LYS1001 6.972 12.776 -4.659 660 2HE LYS1001 HE2 LYS1001 7.579 14.290 -3.986 661 1HZ LYS1001 HZ1 LYS1001 9.216 12.062 -5.068 662 2HZ LYS1001 HZ2 LYS1001 8.980 13.575 -5.794 663 3HZ LYS1001 HZ3 LYS1001 9.850 13.459 -4.341 664 H MET1002 H MET1002 4.640 13.801 1.228 665 HA MET1002 HA MET1002 3.076 16.168 0.856 666 1HB MET1002 HB1 MET1002 3.038 14.359 3.257 667 2HB MET1002 HB2 MET1002 1.724 15.333 2.603 668 1HG MET1002 HG1 MET1002 2.939 12.883 1.354 669 2HG MET1002 HG2 MET1002 1.367 12.991 2.149 670 1HE MET1002 HE1 MET1002 0.042 11.984 0.164 671 2HE MET1002 HE2 MET1002 0.239 12.485 -1.516 672 3HE MET1002 HE3 MET1002 1.572 11.704 -0.667 673 H LYS1003 H LYS1003 5.381 14.924 3.269 674 HA LYS1003 HA LYS1003 5.669 17.212 4.813 675 1HB LYS1003 HB1 LYS1003 6.796 15.171 5.430 676 2HB LYS1003 HB2 LYS1003 7.714 15.167 3.934 677 1HG LYS1003 HG1 LYS1003 9.132 15.830 5.758 678 2HG LYS1003 HG2 LYS1003 8.891 17.193 4.665 679 1HD LYS1003 HD1 LYS1003 8.775 17.891 7.007 680 2HD LYS1003 HD2 LYS1003 7.234 18.133 6.188 681 1HE LYS1003 HE1 LYS1003 6.262 16.265 7.256 682 2HE LYS1003 HE2 LYS1003 7.830 15.674 7.808 683 1HZ LYS1003 HZ1 LYS1003 7.959 17.289 9.440 684 2HZ LYS1003 HZ2 LYS1003 6.810 18.296 8.711 685 3HZ LYS1003 HZ3 LYS1003 6.319 16.867 9.480 686 H LEU1004 H LEU1004 7.293 16.315 1.822 687 HA LEU1004 HA LEU1004 8.713 18.682 1.376 688 1HB LEU1004 HB1 LEU1004 7.726 16.511 -0.394 689 2HB LEU1004 HB2 LEU1004 8.331 17.980 -1.143 690 HG LEU1004 HG LEU1004 9.866 16.169 0.726 691 1HD1 LEU1004 1HD1 LEU1004 9.554 15.195 -1.468 692 2HD1 LEU1004 2HD1 LEU1004 10.133 16.676 -2.231 693 3HD1 LEU1004 3HD1 LEU1004 11.231 15.702 -1.254 694 1HD2 LEU1004 1HD2 LEU1004 10.534 18.486 1.031 695 2HD2 LEU1004 2HD2 LEU1004 11.794 17.585 0.187 696 3HD2 LEU1004 3HD2 LEU1004 10.738 18.674 -0.712 697 H ALA1005 H ALA1005 5.451 17.837 0.189 698 HA ALA1005 HA ALA1005 4.966 20.213 -1.201 699 1HB ALA1005 HB1 ALA1005 3.519 18.240 -1.367 700 2HB ALA1005 HB2 ALA1005 2.967 18.509 0.287 701 3HB ALA1005 HB3 ALA1005 2.592 19.688 -0.970 702 H GLN1006 H GLN1006 4.386 19.363 2.169 703 HA GLN1006 HA GLN1006 3.405 21.956 2.894 704 1HB GLN1006 HB1 GLN1006 3.007 21.004 4.969 705 2HB GLN1006 HB2 GLN1006 3.016 19.571 3.944 706 1HG GLN1006 HG1 GLN1006 4.337 18.804 5.582 707 2HG GLN1006 HG2 GLN1006 5.578 19.580 4.602 708 1HE2 GLN1006 2HE2 GLN1006 3.255 21.322 6.557 709 2HE2 GLN1006 1HE2 GLN1006 4.390 21.912 7.724 710 H GLN1007 H GLN1007 6.439 20.564 2.398 711 HA GLN1007 HA GLN1007 7.982 22.250 4.138 712 1HB GLN1007 HB1 GLN1007 8.608 19.880 3.378 713 2HB GLN1007 HB2 GLN1007 8.980 20.604 1.816 714 1HG GLN1007 HG1 GLN1007 10.959 20.242 3.202 715 2HG GLN1007 HG2 GLN1007 10.725 21.936 2.769 716 1HE2 GLN1007 2HE2 GLN1007 8.836 20.339 5.235 717 2HE2 GLN1007 1HE2 GLN1007 9.520 21.186 6.577 718 H TYR1008 H TYR1008 7.108 22.127 0.765 719 HA TYR1008 HA TYR1008 8.741 24.308 -0.077 720 1HB TYR1008 HB1 TYR1008 7.632 22.391 -1.456 721 2HB TYR1008 HB2 TYR1008 6.215 23.429 -1.451 722 HD1 TYR1008 HD1 TYR1008 6.277 23.515 -3.899 723 HD2 TYR1008 HD2 TYR1008 9.526 24.961 -1.564 724 HE1 TYR1008 HE1 TYR1008 7.172 24.670 -5.879 725 HE2 TYR1008 HE2 TYR1008 10.422 26.134 -3.531 726 HH TYR1008 HH TYR1008 8.672 26.632 -6.350 727 H VAL1009 H VAL1009 5.221 23.994 0.065 728 HA VAL1009 HA VAL1009 3.554 25.548 0.195 729 HB VAL1009 HB VAL1009 4.110 24.800 2.515 730 1HG1 VAL1009 1HG1 VAL1009 5.464 27.475 2.752 731 2HG1 VAL1009 2HG1 VAL1009 5.129 26.360 4.076 732 3HG1 VAL1009 3HG1 VAL1009 6.255 25.898 2.799 733 1HG2 VAL1009 1HG2 VAL1009 2.717 26.483 3.633 734 2HG2 VAL1009 2HG2 VAL1009 2.906 27.545 2.236 735 3HG2 VAL1009 3HG2 VAL1009 2.065 26.003 2.066 736 H MET1010 H MET1010 5.507 26.540 -1.504 737 HA MET1010 HA MET1010 6.104 29.270 -0.711 738 1HB MET1010 HB1 MET1010 7.792 27.774 -1.821 739 2HB MET1010 HB2 MET1010 6.814 27.847 -3.279 740 1HG MET1010 HG1 MET1010 7.150 30.241 -3.417 741 2HG MET1010 HG2 MET1010 8.076 30.211 -1.915 742 1HE MET1010 HE1 MET1010 10.219 31.348 -2.884 743 2HE MET1010 HE2 MET1010 10.923 30.928 -4.446 744 3HE MET1010 HE3 MET1010 9.299 31.612 -4.364 745 H THR1011 H THR1011 4.473 30.623 -0.911 746 HA THR1011 HA THR1011 2.621 31.690 -1.664 747 HB THR1011 HB THR1011 2.832 32.605 -3.979 748 HG1 THR1011 HG1 THR1011 5.322 31.930 -4.547 749 1HG2 THR1011 1HG2 THR1011 4.888 33.884 -3.517 750 2HG2 THR1011 2HG2 THR1011 3.854 33.753 -2.096 751 3HG2 THR1011 3HG2 THR1011 5.293 32.745 -2.235 752 H SER1012 H SER1012 2.921 30.423 -4.878 753 HA SER1012 HA SER1012 0.718 28.539 -4.414 754 1HB SER1012 HB1 SER1012 0.807 30.599 -6.634 755 2HB SER1012 HB2 SER1012 -0.423 29.346 -6.449 756 HG SER1012 HG SER1012 -0.357 30.520 -4.142 757 H LEU1013 H LEU1013 3.746 28.801 -5.178 758 HA LEU1013 HA LEU1013 3.865 27.231 -7.607 759 1HB LEU1013 HB1 LEU1013 5.924 28.316 -5.710 760 2HB LEU1013 HB2 LEU1013 6.364 27.122 -6.911 761 HG LEU1013 HG LEU1013 6.927 29.304 -7.740 762 1HD1 LEU1013 1HD1 LEU1013 4.452 28.292 -9.125 763 2HD1 LEU1013 2HD1 LEU1013 5.683 29.343 -9.826 764 3HD1 LEU1013 3HD1 LEU1013 6.093 27.691 -9.365 765 1HD2 LEU1013 1HD2 LEU1013 5.252 31.043 -8.102 766 2HD2 LEU1013 2HD2 LEU1013 4.037 30.040 -7.308 767 3HD2 LEU1013 3HD2 LEU1013 5.416 30.646 -6.391 768 H GLN1014 H GLN1014 3.198 26.621 -4.450 769 HA GLN1014 HA GLN1014 4.534 24.255 -3.828 770 1HB GLN1014 HB1 GLN1014 3.080 25.626 -2.297 771 2HB GLN1014 HB2 GLN1014 1.678 24.950 -3.109 772 1HG GLN1014 HG1 GLN1014 3.545 22.933 -2.127 773 2HG GLN1014 HG2 GLN1014 2.865 23.950 -0.860 774 1HE2 GLN1014 2HE2 GLN1014 2.202 21.549 -3.276 775 2HE2 GLN1014 1HE2 GLN1014 0.590 21.189 -2.764 776 H GLN1015 H GLN1015 1.871 24.871 -5.996 777 HA GLN1015 HA GLN1015 0.824 22.329 -6.274 778 1HB GLN1015 HB1 GLN1015 -0.447 23.201 -7.898 779 2HB GLN1015 HB2 GLN1015 0.286 24.724 -7.431 780 1HG GLN1015 HG1 GLN1015 1.413 22.990 -9.609 781 2HG GLN1015 HG2 GLN1015 0.162 24.192 -9.905 782 1HE2 GLN1015 2HE2 GLN1015 1.444 25.407 -11.249 783 2HE2 GLN1015 1HE2 GLN1015 2.794 26.330 -10.680 784 H GLU1016 H GLU1016 3.751 23.627 -7.846 785 HA GLU1016 HA GLU1016 4.446 21.490 -9.426 786 1HB GLU1016 HB1 GLU1016 5.818 23.484 -9.276 787 2HB GLU1016 HB2 GLU1016 6.226 23.116 -7.605 788 1HG GLU1016 HG1 GLU1016 7.422 21.123 -8.322 789 2HG GLU1016 HG2 GLU1016 6.986 21.455 -9.994 790 H TYR1017 H TYR1017 5.295 21.861 -6.038 791 HA TYR1017 HA TYR1017 6.219 19.240 -5.639 792 1HB TYR1017 HB1 TYR1017 5.334 21.407 -3.814 793 2HB TYR1017 HB2 TYR1017 5.392 19.775 -3.149 794 HD1 TYR1017 HD1 TYR1017 7.252 20.055 -1.654 795 HD2 TYR1017 HD2 TYR1017 7.647 21.086 -5.770 796 HE1 TYR1017 HE1 TYR1017 9.684 20.217 -1.385 797 HE2 TYR1017 HE2 TYR1017 10.081 21.259 -5.495 798 HH TYR1017 HH TYR1017 11.674 21.746 -3.494 799 H LYS1018 H LYS1018 2.931 20.540 -5.313 800 HA LYS1018 HA LYS1018 1.649 18.162 -4.631 801 1HB LYS1018 HB1 LYS1018 0.654 20.485 -4.739 802 2HB LYS1018 HB2 LYS1018 0.535 20.281 -6.479 803 1HG LYS1018 HG1 LYS1018 -0.736 18.287 -4.650 804 2HG LYS1018 HG2 LYS1018 -1.527 19.829 -4.970 805 1HD LYS1018 HD1 LYS1018 -1.496 19.355 -7.365 806 2HD LYS1018 HD2 LYS1018 -0.669 17.826 -7.060 807 1HE LYS1018 HE1 LYS1018 -2.984 17.350 -7.388 808 2HE LYS1018 HE2 LYS1018 -2.627 17.131 -5.677 809 1HZ LYS1018 HZ1 LYS1018 -4.711 18.304 -6.012 810 2HZ LYS1018 HZ2 LYS1018 -3.589 19.307 -5.237 811 3HZ LYS1018 HZ3 LYS1018 -3.917 19.525 -6.885 812 H LYS1019 H LYS1019 2.699 19.324 -7.806 813 HA LYS1019 HA LYS1019 1.575 17.274 -9.383 814 1HB LYS1019 HB1 LYS1019 2.450 19.232 -10.465 815 2HB LYS1019 HB2 LYS1019 4.036 18.992 -9.746 816 1HG LYS1019 HG1 LYS1019 4.294 18.318 -11.960 817 2HG LYS1019 HG2 LYS1019 4.107 16.808 -11.068 818 1HD LYS1019 HD1 LYS1019 2.747 16.590 -12.982 819 2HD LYS1019 HD2 LYS1019 1.640 16.942 -11.652 820 1HE LYS1019 HE1 LYS1019 1.557 19.278 -12.313 821 2HE LYS1019 HE2 LYS1019 2.715 18.972 -13.606 822 1HZ LYS1019 HZ1 LYS1019 0.620 18.969 -14.616 823 2HZ LYS1019 HZ2 LYS1019 1.034 17.328 -14.475 824 3HZ LYS1019 HZ3 LYS1019 -0.074 18.017 -13.393 825 H GLN1020 H GLN1020 4.896 17.634 -8.218 826 HA GLN1020 HA GLN1020 5.890 15.113 -8.675 827 1HB GLN1020 HB1 GLN1020 6.422 16.563 -6.083 828 2HB GLN1020 HB2 GLN1020 7.508 15.507 -6.973 829 1HG GLN1020 HG1 GLN1020 6.566 18.212 -7.889 830 2HG GLN1020 HG2 GLN1020 8.127 17.869 -7.155 831 1HE2 GLN1020 2HE2 GLN1020 9.192 18.672 -8.957 832 2HE2 GLN1020 1HE2 GLN1020 9.268 17.794 -10.454 833 H MET1021 H MET1021 3.831 16.177 -6.051 834 HA MET1021 HA MET1021 3.773 13.772 -4.589 835 1HB MET1021 HB1 MET1021 3.073 15.704 -3.453 836 2HB MET1021 HB2 MET1021 1.978 16.178 -4.739 837 1HG MET1021 HG1 MET1021 1.459 13.658 -3.245 838 2HG MET1021 HG2 MET1021 1.079 15.206 -2.494 839 1HE MET1021 HE1 MET1021 -1.070 12.929 -3.017 840 2HE MET1021 HE2 MET1021 -1.500 14.480 -2.295 841 3HE MET1021 HE3 MET1021 -2.427 13.854 -3.660 842 H LEU1022 H LEU1022 1.712 15.004 -7.211 843 HA LEU1022 HA LEU1022 -0.211 12.965 -7.159 844 1HB LEU1022 HB1 LEU1022 0.790 14.694 -9.410 845 2HB LEU1022 HB2 LEU1022 -0.512 13.541 -9.620 846 HG LEU1022 HG LEU1022 -0.549 15.880 -7.711 847 1HD1 LEU1022 1HD1 LEU1022 -0.627 16.558 -10.063 848 2HD1 LEU1022 2HD1 LEU1022 -1.978 15.458 -10.334 849 3HD1 LEU1022 3HD1 LEU1022 -2.169 16.838 -9.253 850 1HD2 LEU1022 1HD2 LEU1022 -2.905 15.313 -7.422 851 2HD2 LEU1022 2HD2 LEU1022 -2.705 13.912 -8.474 852 3HD2 LEU1022 3HD2 LEU1022 -1.868 13.977 -6.922 853 H THR1023 H THR1023 2.840 13.182 -8.948 854 HA THR1023 HA THR1023 2.555 10.711 -10.307 855 HB THR1023 HB THR1023 5.134 12.095 -9.533 856 HG1 THR1023 HG1 THR1023 3.125 12.835 -11.219 857 1HG2 THR1023 1HG2 THR1023 4.463 10.204 -11.793 858 2HG2 THR1023 2HG2 THR1023 6.015 11.009 -11.556 859 3HG2 THR1023 3HG2 THR1023 5.447 9.823 -10.379 860 H ALA1024 H ALA1024 4.237 11.639 -7.348 861 HA ALA1024 HA ALA1024 5.204 9.098 -6.646 862 1HB ALA1024 HB1 ALA1024 5.495 10.008 -4.405 863 2HB ALA1024 HB2 ALA1024 6.019 11.166 -5.630 864 3HB ALA1024 HB3 ALA1024 4.466 11.379 -4.820 865 H ALA1025 H ALA1025 2.162 10.734 -5.815 866 HA ALA1025 HA ALA1025 1.197 8.832 -3.994 867 1HB ALA1025 HB1 ALA1025 0.211 11.054 -4.223 868 2HB ALA1025 HB2 ALA1025 -0.384 10.633 -5.830 869 3HB ALA1025 HB3 ALA1025 -1.014 9.799 -4.410 870 H HIS1026 H HIS1026 1.129 8.916 -7.503 871 HA HIS1026 HA HIS1026 -0.613 6.654 -7.696 872 1HB HIS1026 HB1 HIS1026 -0.418 8.275 -9.560 873 2HB HIS1026 HB2 HIS1026 1.260 7.791 -9.790 874 HD1 HIS1026 HD1 HIS1026 1.285 6.520 -11.944 875 HD2 HIS1026 HD2 HIS1026 -1.912 5.430 -9.513 876 HE1 HIS1026 HE1 HIS1026 0.122 4.642 -13.142 877 HE2 HIS1026 HE2 HIS1026 -1.939 4.175 -11.774 878 H ALA1027 H ALA1027 2.861 7.180 -7.645 879 HA ALA1027 HA ALA1027 3.659 4.547 -8.197 880 1HB ALA1027 HB1 ALA1027 5.752 5.124 -7.089 881 2HB ALA1027 HB2 ALA1027 5.218 6.442 -8.133 882 3HB ALA1027 HB3 ALA1027 5.000 6.555 -6.386 883 H LEU1028 H LEU1028 2.994 6.158 -5.074 884 HA LEU1028 HA LEU1028 3.084 3.977 -3.380 885 1HB LEU1028 HB1 LEU1028 2.767 6.226 -2.558 886 2HB LEU1028 HB2 LEU1028 1.251 6.373 -3.415 887 HG LEU1028 HG LEU1028 1.213 4.147 -1.517 888 1HD1 LEU1028 1HD1 LEU1028 1.146 5.546 0.485 889 2HD1 LEU1028 2HD1 LEU1028 2.735 5.606 -0.278 890 3HD1 LEU1028 3HD1 LEU1028 1.611 6.952 -0.472 891 1HD2 LEU1028 1HD2 LEU1028 -0.474 6.628 -1.830 892 2HD2 LEU1028 2HD2 LEU1028 -0.758 5.085 -2.637 893 3HD2 LEU1028 3HD2 LEU1028 -0.884 5.199 -0.881 894 H ALA1029 H ALA1029 0.119 5.266 -4.871 895 HA ALA1029 HA ALA1029 -1.537 3.202 -4.374 896 1HB ALA1029 HB1 ALA1029 -2.852 3.827 -6.326 897 2HB ALA1029 HB2 ALA1029 -2.247 5.259 -5.491 898 3HB ALA1029 HB3 ALA1029 -1.477 4.715 -6.983 899 H VAL1030 H VAL1030 0.987 3.211 -6.821 900 HA VAL1030 HA VAL1030 0.257 0.698 -7.949 901 HB VAL1030 HB VAL1030 2.871 2.212 -8.043 902 1HG1 VAL1030 1HG1 VAL1030 2.073 -0.296 -9.518 903 2HG1 VAL1030 2HG1 VAL1030 3.510 0.667 -9.853 904 3HG1 VAL1030 3HG1 VAL1030 3.343 -0.157 -8.302 905 1HG2 VAL1030 1HG2 VAL1030 0.732 1.765 -10.125 906 2HG2 VAL1030 2HG2 VAL1030 1.000 3.262 -9.230 907 3HG2 VAL1030 3HG2 VAL1030 2.227 2.672 -10.352 908 H ASP1031 H ASP1031 2.589 1.635 -5.405 909 HA ASP1031 HA ASP1031 3.515 -0.995 -4.996 910 1HB ASP1031 HB1 ASP1031 4.450 -0.340 -2.902 911 2HB ASP1031 HB2 ASP1031 4.648 1.001 -4.008 912 H ALA1032 H ALA1032 0.927 0.723 -3.212 913 HA ALA1032 HA ALA1032 -0.234 -1.370 -1.889 914 1HB ALA1032 HB1 ALA1032 -2.353 -0.188 -2.099 915 2HB ALA1032 HB2 ALA1032 -1.030 0.933 -1.771 916 3HB ALA1032 HB3 ALA1032 -1.685 0.794 -3.403 917 H LYS1033 H LYS1033 -0.430 -0.705 -5.339 918 HA LYS1033 HA LYS1033 -2.636 -2.551 -5.709 919 1HB LYS1033 HB1 LYS1033 -2.445 -0.531 -7.128 920 2HB LYS1033 HB2 LYS1033 -0.960 -1.177 -7.817 921 1HG LYS1033 HG1 LYS1033 -2.187 -3.073 -8.725 922 2HG LYS1033 HG2 LYS1033 -3.677 -2.465 -8.003 923 1HD LYS1033 HD1 LYS1033 -3.527 -0.453 -9.382 924 2HD LYS1033 HD2 LYS1033 -2.029 -1.053 -10.097 925 1HE LYS1033 HE1 LYS1033 -3.241 -3.004 -10.964 926 2HE LYS1033 HE2 LYS1033 -4.735 -2.374 -10.274 927 1HZ LYS1033 HZ1 LYS1033 -4.524 -0.431 -11.702 928 2HZ LYS1033 HZ2 LYS1033 -3.100 -1.057 -12.376 929 3HZ LYS1033 HZ3 LYS1033 -4.577 -1.858 -12.615 930 H ASN1034 H ASN1034 0.819 -2.502 -6.159 931 HA ASN1034 HA ASN1034 0.902 -5.004 -7.540 932 1HB ASN1034 HB1 ASN1034 2.664 -3.190 -7.692 933 2HB ASN1034 HB2 ASN1034 3.186 -3.673 -6.080 934 1HD2 ASN1034 2HD2 ASN1034 5.207 -4.277 -6.852 935 2HD2 ASN1034 1HD2 ASN1034 5.455 -5.715 -7.780 936 H LEU1035 H LEU1035 1.509 -3.946 -4.210 937 HA LEU1035 HA LEU1035 2.229 -6.547 -3.283 938 1HB LEU1035 HB1 LEU1035 2.913 -4.464 -2.150 939 2HB LEU1035 HB2 LEU1035 1.245 -4.166 -1.695 940 HG LEU1035 HG LEU1035 2.818 -5.060 0.089 941 1HD1 LEU1035 1HD1 LEU1035 0.399 -5.050 0.356 942 2HD1 LEU1035 2HD1 LEU1035 0.308 -6.628 -0.426 943 3HD1 LEU1035 3HD1 LEU1035 1.142 -6.457 1.119 944 1HD2 LEU1035 1HD2 LEU1035 3.963 -6.738 -1.222 945 2HD2 LEU1035 2HD2 LEU1035 3.143 -7.485 0.150 946 3HD2 LEU1035 3HD2 LEU1035 2.450 -7.610 -1.467 947 H LEU1036 H LEU1036 -0.897 -4.884 -3.492 948 HA LEU1036 HA LEU1036 -2.318 -6.818 -2.022 949 1HB LEU1036 HB1 LEU1036 -4.347 -5.963 -2.973 950 2HB LEU1036 HB2 LEU1036 -3.308 -4.624 -2.557 951 HG LEU1036 HG LEU1036 -2.682 -4.645 -5.087 952 1HD1 LEU1036 1HD1 LEU1036 -5.344 -6.061 -5.146 953 2HD1 LEU1036 2HD1 LEU1036 -4.505 -5.373 -6.537 954 3HD1 LEU1036 3HD1 LEU1036 -3.799 -6.735 -5.666 955 1HD2 LEU1036 1HD2 LEU1036 -5.375 -3.732 -4.092 956 2HD2 LEU1036 2HD2 LEU1036 -3.857 -2.845 -3.959 957 3HD2 LEU1036 3HD2 LEU1036 -4.563 -3.151 -5.546 958 H ASP1037 H ASP1037 -1.120 -6.684 -5.262 959 HA ASP1037 HA ASP1037 -2.556 -9.051 -6.127 960 1HB ASP1037 HB1 ASP1037 -1.957 -7.134 -7.649 961 2HB ASP1037 HB2 ASP1037 -0.268 -7.585 -7.468 962 H VAL1038 H VAL1038 0.674 -8.099 -5.188 963 HA VAL1038 HA VAL1038 2.138 -10.433 -5.362 964 HB VAL1038 HB VAL1038 2.159 -8.128 -3.437 965 1HG1 VAL1038 1HG1 VAL1038 2.866 -10.055 -2.115 966 2HG1 VAL1038 2HG1 VAL1038 4.057 -10.468 -3.348 967 3HG1 VAL1038 3HG1 VAL1038 4.217 -8.968 -2.434 968 1HG2 VAL1038 1HG2 VAL1038 4.306 -7.670 -4.531 969 2HG2 VAL1038 2HG2 VAL1038 4.103 -9.117 -5.519 970 3HG2 VAL1038 3HG2 VAL1038 2.984 -7.767 -5.695 971 H ILE1039 H ILE1039 0.182 -9.376 -2.568 972 HA ILE1039 HA ILE1039 0.490 -12.016 -1.431 973 HB ILE1039 HB ILE1039 -0.588 -11.186 0.566 974 1HG1 ILE1039 1HG1 ILE1039 -0.757 -8.561 -0.927 975 2HG1 ILE1039 2HG1 ILE1039 -2.116 -9.550 -0.392 976 1HG2 ILE1039 1HG2 ILE1039 1.638 -9.443 -0.482 977 2HG2 ILE1039 2HG2 ILE1039 1.177 -9.592 1.215 978 3HG2 ILE1039 3HG2 ILE1039 1.809 -10.991 0.345 979 1HD1 ILE1039 1HD1 ILE1039 -1.434 -9.209 1.927 980 2HD1 ILE1039 2HD1 ILE1039 -0.105 -8.188 1.374 981 3HD1 ILE1039 3HD1 ILE1039 -1.775 -7.691 1.103 982 H ASP1040 H ASP1040 -2.175 -10.070 -2.828 983 HA ASP1040 HA ASP1040 -4.172 -11.871 -2.908 984 1HB ASP1040 HB1 ASP1040 -4.116 -9.969 -4.493 985 2HB ASP1040 HB2 ASP1040 -2.861 -10.772 -5.425 986 H GLN1041 H GLN1041 -1.203 -12.141 -4.711 987 HA GLN1041 HA GLN1041 -1.689 -14.878 -5.434 988 1HB GLN1041 HB1 GLN1041 0.714 -13.109 -5.758 989 2HB GLN1041 HB2 GLN1041 0.700 -14.806 -6.227 990 1HG GLN1041 HG1 GLN1041 -1.088 -14.399 -7.798 991 2HG GLN1041 HG2 GLN1041 -1.199 -12.717 -7.285 992 1HE2 GLN1041 2HE2 GLN1041 1.836 -14.368 -7.634 993 2HE2 GLN1041 1HE2 GLN1041 2.377 -13.497 -9.026 994 H ALA1042 H ALA1042 0.045 -13.227 -2.837 995 HA ALA1042 HA ALA1042 1.588 -15.285 -1.863 996 1HB ALA1042 HB1 ALA1042 1.572 -13.044 -0.901 997 2HB ALA1042 HB2 ALA1042 -0.026 -13.353 -0.222 998 3HB ALA1042 HB3 ALA1042 1.364 -14.286 0.332 999 H ARG1043 H ARG1043 -1.770 -14.569 -0.816 1000 HA ARG1043 HA ARG1043 -2.138 -16.914 0.620 1001 1HB ARG1043 HB1 ARG1043 -3.717 -14.733 -0.226 1002 2HB ARG1043 HB2 ARG1043 -4.575 -16.189 -0.713 1003 1HG ARG1043 HG1 ARG1043 -5.266 -15.410 1.497 1004 2HG ARG1043 HG2 ARG1043 -4.540 -17.015 1.563 1005 1HD ARG1043 HD1 ARG1043 -2.546 -16.178 2.514 1006 2HD ARG1043 HD2 ARG1043 -2.962 -14.512 2.111 1007 HE ARG1043 HE ARG1043 -4.845 -14.831 3.779 1008 1HH1 ARG1043 2HH1 ARG1043 -1.791 -16.526 4.074 1009 2HH1 ARG1043 1HH1 ARG1043 -1.921 -16.722 5.795 1010 1HH2 ARG1043 2HH2 ARG1043 -5.020 -15.054 6.008 1011 2HH2 ARG1043 1HH2 ARG1043 -3.772 -15.883 6.901 1012 H LEU1044 H LEU1044 -2.379 -16.321 -2.843 1013 HA LEU1044 HA LEU1044 -3.301 -18.981 -3.421 1014 1HB LEU1044 HB1 LEU1044 -2.179 -16.812 -5.180 1015 2HB LEU1044 HB2 LEU1044 -2.756 -18.349 -5.782 1016 HG LEU1044 HG LEU1044 -4.423 -16.288 -4.336 1017 1HD1 LEU1044 1HD1 LEU1044 -3.781 -15.608 -6.594 1018 2HD1 LEU1044 2HD1 LEU1044 -4.411 -17.127 -7.231 1019 3HD1 LEU1044 3HD1 LEU1044 -5.505 -15.960 -6.487 1020 1HD2 LEU1044 1HD2 LEU1044 -5.222 -18.905 -5.610 1021 2HD2 LEU1044 2HD2 LEU1044 -5.184 -18.565 -3.880 1022 3HD2 LEU1044 3HD2 LEU1044 -6.321 -17.710 -4.923 1023 H LYS1045 H LYS1045 -0.245 -17.628 -2.682 1024 HA LYS1045 HA LYS1045 1.376 -19.600 -3.977 1025 1HB LYS1045 HB1 LYS1045 1.953 -17.912 -1.524 1026 2HB LYS1045 HB2 LYS1045 3.132 -18.917 -2.346 1027 1HG LYS1045 HG1 LYS1045 1.747 -16.500 -3.454 1028 2HG LYS1045 HG2 LYS1045 3.437 -16.639 -2.964 1029 1HD LYS1045 HD1 LYS1045 3.946 -18.087 -4.760 1030 2HD LYS1045 HD2 LYS1045 2.243 -18.391 -5.098 1031 1HE LYS1045 HE1 LYS1045 3.149 -16.925 -6.785 1032 2HE LYS1045 HE2 LYS1045 1.990 -16.041 -5.796 1033 1HZ LYS1045 HZ1 LYS1045 4.939 -15.919 -5.528 1034 2HZ LYS1045 HZ2 LYS1045 3.968 -14.721 -6.229 1035 3HZ LYS1045 HZ3 LYS1045 3.832 -15.072 -4.577 1036 H MET1046 H MET1046 -0.216 -19.224 -0.909 1037 HA MET1046 HA MET1046 0.686 -21.666 0.237 1038 1HB MET1046 HB1 MET1046 -0.396 -19.870 1.558 1039 2HB MET1046 HB2 MET1046 -1.909 -20.200 0.727 1040 1HG MET1046 HG1 MET1046 -1.949 -22.448 1.651 1041 2HG MET1046 HG2 MET1046 -0.407 -22.146 2.452 1042 1HE MET1046 HE1 MET1046 -0.564 -19.313 3.650 1043 2HE MET1046 HE2 MET1046 -1.315 -19.594 5.221 1044 3HE MET1046 HE3 MET1046 -0.102 -20.720 4.610 1045 H ILE1047 H ILE1047 -2.095 -20.752 -1.720 1046 HA ILE1047 HA ILE1047 -3.279 -23.272 -2.028 1047 HB ILE1047 HB ILE1047 -3.168 -20.959 -3.970 1048 1HG1 ILE1047 1HG1 ILE1047 -4.215 -20.392 -1.834 1049 2HG1 ILE1047 2HG1 ILE1047 -5.423 -20.457 -3.111 1050 1HG2 ILE1047 1HG2 ILE1047 -3.708 -22.998 -5.162 1051 2HG2 ILE1047 2HG2 ILE1047 -4.963 -23.382 -3.983 1052 3HG2 ILE1047 3HG2 ILE1047 -5.138 -21.975 -5.031 1053 1HD1 ILE1047 1HD1 ILE1047 -6.112 -22.670 -2.348 1054 2HD1 ILE1047 2HD1 ILE1047 -4.902 -22.603 -1.066 1055 3HD1 ILE1047 3HD1 ILE1047 -6.250 -21.465 -1.067 1056 H SER1048 H SER1048 -0.564 -21.726 -3.597 1057 HA SER1048 HA SER1048 -0.191 -23.609 -5.683 1058 1HB SER1048 HB1 SER1048 0.702 -21.266 -5.680 1059 2HB SER1048 HB2 SER1048 1.865 -21.748 -4.442 1060 HG SER1048 HG SER1048 2.882 -23.040 -5.892 1061 H GLN1049 H GLN1049 0.960 -23.382 -2.378 1062 HA GLN1049 HA GLN1049 2.910 -25.462 -2.697 1063 1HB GLN1049 HB1 GLN1049 3.131 -23.615 -1.037 1064 2HB GLN1049 HB2 GLN1049 1.787 -24.304 -0.141 1065 1HG GLN1049 HG1 GLN1049 3.965 -24.892 0.818 1066 2HG GLN1049 HG2 GLN1049 3.049 -26.309 0.303 1067 1HE2 GLN1049 2HE2 GLN1049 3.767 -27.507 -1.451 1068 2HE2 GLN1049 1HE2 GLN1049 5.357 -27.330 -2.104 1069 H SER1050 H SER1050 -0.420 -25.250 -1.601 1070 HA SER1050 HA SER1050 -0.504 -28.018 -0.799 1071 1HB SER1050 HB1 SER1050 -2.753 -26.044 -1.267 1072 2HB SER1050 HB2 SER1050 -2.914 -27.623 -0.496 1073 HG SER1050 HG SER1050 -1.113 -26.650 0.927 1074 H ARG1051 H ARG1051 -1.300 -26.100 -3.598 1075 HA ARG1051 HA ARG1051 -1.575 -26.608 -5.779 1076 1HB ARG1051 HB1 ARG1051 -1.044 -29.469 -4.963 1077 2HB ARG1051 HB2 ARG1051 -1.149 -28.887 -6.619 1078 1HG ARG1051 HG1 ARG1051 0.785 -27.452 -6.248 1079 2HG ARG1051 HG2 ARG1051 0.889 -28.017 -4.580 1080 1HD ARG1051 HD1 ARG1051 2.492 -29.213 -5.906 1081 2HD ARG1051 HD2 ARG1051 1.203 -30.319 -5.435 1082 HE ARG1051 HE ARG1051 1.044 -29.040 -8.064 1083 1HH1 ARG1051 2HH1 ARG1051 1.728 -31.904 -6.168 1084 2HH1 ARG1051 1HH1 ARG1051 1.545 -32.996 -7.513 1085 1HH2 ARG1051 2HH2 ARG1051 0.822 -30.450 -9.829 1086 2HH2 ARG1051 1HH2 ARG1051 1.046 -32.161 -9.612 1087 HA PRO1052 HA PRO1052 -5.947 -27.160 -5.842 1088 1HB PRO1052 HB1 PRO1052 -5.536 -27.525 -8.760 1089 2HB PRO1052 HB2 PRO1052 -6.556 -26.365 -7.903 1090 1HG PRO1052 HG1 PRO1052 -4.284 -25.589 -9.061 1091 2HG PRO1052 HG2 PRO1052 -4.800 -24.908 -7.506 1092 1HD PRO1052 HD1 PRO1052 -2.717 -26.980 -8.072 1093 2HD PRO1052 HD2 PRO1052 -2.700 -25.652 -6.892 1094 H HIS1053 H HIS1053 -7.434 -28.790 -6.012 1095 HA HIS1053 HA HIS1053 -6.360 -31.457 -6.153 1096 1HB HIS1053 HB1 HIS1053 -8.019 -30.780 -4.432 1097 2HB HIS1053 HB2 HIS1053 -9.210 -30.533 -5.702 1098 HD1 HIS1053 HD1 HIS1053 -10.850 -32.378 -5.523 1099 HD2 HIS1053 HD2 HIS1053 -6.943 -33.709 -4.973 1100 HE1 HIS1053 HE1 HIS1053 -11.009 -34.874 -5.244 1101 HE2 HIS1053 HE2 HIS1053 -8.652 -35.640 -4.785 Start of MODEL 12 1 1H ARG 920 H ARG 920 -7.527 -19.820 -3.158 2 HA ARG 920 HA ARG 920 -8.364 -20.211 -0.531 3 1HB ARG 920 HB1 ARG 920 -6.042 -19.844 -1.297 4 2HB ARG 920 HB2 ARG 920 -6.429 -18.156 -1.590 5 1HG ARG 920 HG1 ARG 920 -5.310 -18.191 0.454 6 2HG ARG 920 HG2 ARG 920 -7.014 -18.004 0.857 7 1HD ARG 920 HD1 ARG 920 -5.513 -20.623 0.888 8 2HD ARG 920 HD2 ARG 920 -5.780 -19.618 2.307 9 HE ARG 920 HE ARG 920 -7.844 -21.101 0.807 10 1HH1 ARG 920 2HH1 ARG 920 -6.880 -19.311 3.678 11 2HH1 ARG 920 1HH1 ARG 920 -8.270 -19.804 4.596 12 1HH2 ARG 920 2HH2 ARG 920 -9.634 -21.759 2.025 13 2HH2 ARG 920 1HH2 ARG 920 -9.821 -21.218 3.664 14 H SER 921 H SER 921 -9.402 -17.814 -2.721 15 HA SER 921 HA SER 921 -10.990 -16.213 -2.553 16 1HB SER 921 HB1 SER 921 -12.133 -17.670 -0.948 17 2HB SER 921 HB2 SER 921 -11.163 -17.003 0.363 18 HG SER 921 HG SER 921 -12.143 -14.899 -0.624 19 H ASN 922 H ASN 922 -8.066 -16.132 -1.157 20 HA ASN 922 HA ASN 922 -6.620 -14.517 -0.490 21 1HB ASN 922 HB1 ASN 922 -8.185 -12.370 -1.784 22 2HB ASN 922 HB2 ASN 922 -6.475 -12.759 -1.924 23 1HD2 ASN 922 2HD2 ASN 922 -5.872 -14.601 -3.195 24 2HD2 ASN 922 1HD2 ASN 922 -6.851 -15.087 -4.532 25 H ASP 923 H ASP 923 -7.570 -15.005 1.493 26 HA ASP 923 HA ASP 923 -9.331 -13.741 3.080 27 1HB ASP 923 HB1 ASP 923 -7.832 -15.718 3.532 28 2HB ASP 923 HB2 ASP 923 -6.543 -14.579 3.892 29 H LYS 924 H LYS 924 -8.302 -12.532 5.180 30 HA LYS 924 HA LYS 924 -8.250 -9.879 4.910 31 1HB LYS 924 HB1 LYS 924 -7.865 -11.480 6.978 32 2HB LYS 924 HB2 LYS 924 -6.197 -10.971 6.769 33 1HG LYS 924 HG1 LYS 924 -8.315 -8.887 6.879 34 2HG LYS 924 HG2 LYS 924 -7.836 -9.691 8.371 35 1HD LYS 924 HD1 LYS 924 -5.509 -9.043 7.967 36 2HD LYS 924 HD2 LYS 924 -5.995 -8.230 6.478 37 1HE LYS 924 HE1 LYS 924 -5.718 -6.670 8.362 38 2HE LYS 924 HE2 LYS 924 -7.362 -6.679 7.723 39 1HZ LYS 924 HZ1 LYS 924 -7.219 -6.679 10.185 40 2HZ LYS 924 HZ2 LYS 924 -8.094 -7.990 9.557 41 3HZ LYS 924 HZ3 LYS 924 -6.510 -8.221 10.120 42 H VAL 925 H VAL 925 -5.618 -11.884 3.893 43 HA VAL 925 HA VAL 925 -3.551 -10.089 3.605 44 HB VAL 925 HB VAL 925 -3.095 -11.570 1.465 45 1HG1 VAL 925 1HG1 VAL 925 -3.127 -12.680 4.283 46 2HG1 VAL 925 2HG1 VAL 925 -2.204 -13.351 2.939 47 3HG1 VAL 925 3HG1 VAL 925 -1.831 -11.738 3.549 48 1HG2 VAL 925 1HG2 VAL 925 -5.186 -13.199 2.894 49 2HG2 VAL 925 2HG2 VAL 925 -5.370 -12.447 1.310 50 3HG2 VAL 925 3HG2 VAL 925 -4.185 -13.730 1.545 51 H TYR 926 H TYR 926 -6.109 -10.841 1.117 52 HA TYR 926 HA TYR 926 -5.028 -8.723 -0.582 53 1HB TYR 926 HB1 TYR 926 -5.920 -10.568 -1.761 54 2HB TYR 926 HB2 TYR 926 -7.352 -10.655 -0.746 55 HD1 TYR 926 HD1 TYR 926 -5.710 -8.302 -3.155 56 HD2 TYR 926 HD2 TYR 926 -9.325 -9.913 -1.602 57 HE1 TYR 926 HE1 TYR 926 -6.988 -7.035 -4.834 58 HE2 TYR 926 HE2 TYR 926 -10.613 -8.648 -3.270 59 HH TYR 926 HH TYR 926 -9.076 -6.961 -5.906 60 H GLU 927 H GLU 927 -7.517 -9.263 1.730 61 HA GLU 927 HA GLU 927 -9.250 -7.123 1.295 62 1HB GLU 927 HB1 GLU 927 -8.483 -8.671 3.763 63 2HB GLU 927 HB2 GLU 927 -9.749 -7.463 3.772 64 1HG GLU 927 HG1 GLU 927 -11.010 -8.732 2.141 65 2HG GLU 927 HG2 GLU 927 -9.704 -9.913 2.035 66 H ASN 928 H ASN 928 -6.440 -7.355 3.465 67 HA ASN 928 HA ASN 928 -6.787 -4.796 4.616 68 1HB ASN 928 HB1 ASN 928 -5.412 -6.784 5.482 69 2HB ASN 928 HB2 ASN 928 -4.142 -6.202 4.412 70 1HD2 ASN 928 2HD2 ASN 928 -3.982 -6.430 7.208 71 2HD2 ASN 928 1HD2 ASN 928 -3.740 -4.838 7.856 72 H VAL 929 H VAL 929 -4.620 -5.947 2.016 73 HA VAL 929 HA VAL 929 -3.389 -3.468 1.600 74 HB VAL 929 HB VAL 929 -3.860 -5.423 -0.641 75 1HG1 VAL 929 1HG1 VAL 929 -1.574 -3.572 0.036 76 2HG1 VAL 929 2HG1 VAL 929 -1.683 -4.614 -1.383 77 3HG1 VAL 929 3HG1 VAL 929 -2.813 -3.276 -1.185 78 1HG2 VAL 929 1HG2 VAL 929 -1.835 -6.595 0.100 79 2HG2 VAL 929 2HG2 VAL 929 -1.791 -5.594 1.550 80 3HG2 VAL 929 3HG2 VAL 929 -3.131 -6.712 1.292 81 H THR 930 H THR 930 -6.445 -4.718 0.385 82 HA THR 930 HA THR 930 -7.062 -2.570 -1.345 83 HB THR 930 HB THR 930 -8.983 -4.218 0.329 84 HG1 THR 930 HG1 THR 930 -7.780 -5.590 -0.996 85 1HG2 THR 930 1HG2 THR 930 -10.626 -3.650 -1.401 86 2HG2 THR 930 2HG2 THR 930 -10.011 -2.199 -0.609 87 3HG2 THR 930 3HG2 THR 930 -9.429 -2.643 -2.213 88 H GLY 931 H GLY 931 -7.394 -3.068 2.102 89 1HA GLY 931 HA1 GLY 931 -8.625 -0.679 2.850 90 2HA GLY 931 HA2 GLY 931 -7.478 -1.564 3.844 91 H LEU 932 H LEU 932 -5.318 -1.216 1.768 92 HA LEU 932 HA LEU 932 -4.245 1.198 2.803 93 1HB LEU 932 HB1 LEU 932 -3.032 -0.899 1.829 94 2HB LEU 932 HB2 LEU 932 -3.223 -0.086 0.290 95 HG LEU 932 HG LEU 932 -1.770 1.090 2.672 96 1HD1 LEU 932 1HD1 LEU 932 -0.670 -0.215 0.191 97 2HD1 LEU 932 2HD1 LEU 932 0.275 0.623 1.423 98 3HD1 LEU 932 3HD1 LEU 932 -0.593 -0.855 1.833 99 1HD2 LEU 932 1HD2 LEU 932 -1.891 1.989 -0.208 100 2HD2 LEU 932 2HD2 LEU 932 -2.667 2.787 1.161 101 3HD2 LEU 932 3HD2 LEU 932 -0.908 2.715 1.064 102 H VAL 933 H VAL 933 -5.510 0.344 -0.448 103 HA VAL 933 HA VAL 933 -5.262 2.967 -1.453 104 HB VAL 933 HB VAL 933 -7.092 2.299 -3.102 105 1HG1 VAL 933 1HG1 VAL 933 -4.553 0.686 -2.896 106 2HG1 VAL 933 2HG1 VAL 933 -5.539 0.847 -4.349 107 3HG1 VAL 933 3HG1 VAL 933 -4.741 2.262 -3.663 108 1HG2 VAL 933 1HG2 VAL 933 -8.115 0.540 -1.767 109 2HG2 VAL 933 2HG2 VAL 933 -7.541 -0.074 -3.316 110 3HG2 VAL 933 3HG2 VAL 933 -6.622 -0.393 -1.846 111 H LYS 934 H LYS 934 -7.795 1.430 0.402 112 HA LYS 934 HA LYS 934 -9.687 3.504 0.273 113 1HB LYS 934 HB1 LYS 934 -9.206 1.173 2.030 114 2HB LYS 934 HB2 LYS 934 -10.136 2.482 2.742 115 1HG LYS 934 HG1 LYS 934 -11.669 0.919 1.818 116 2HG LYS 934 HG2 LYS 934 -11.679 2.352 0.794 117 1HD LYS 934 HD1 LYS 934 -9.917 0.049 0.097 118 2HD LYS 934 HD2 LYS 934 -11.638 -0.015 -0.281 119 1HE LYS 934 HE1 LYS 934 -9.746 2.167 -1.133 120 2HE LYS 934 HE2 LYS 934 -10.283 0.836 -2.157 121 1HZ LYS 934 HZ1 LYS 934 -11.936 3.026 -1.017 122 2HZ LYS 934 HZ2 LYS 934 -11.613 2.716 -2.656 123 3HZ LYS 934 HZ3 LYS 934 -12.596 1.655 -1.769 124 H ALA 935 H ALA 935 -6.753 3.133 2.105 125 HA ALA 935 HA ALA 935 -7.356 5.302 3.900 126 1HB ALA 935 HB1 ALA 935 -4.767 3.846 3.439 127 2HB ALA 935 HB2 ALA 935 -5.098 4.985 4.744 128 3HB ALA 935 HB3 ALA 935 -5.976 3.456 4.662 129 H VAL 936 H VAL 936 -5.685 4.910 0.827 130 HA VAL 936 HA VAL 936 -4.709 7.614 0.958 131 HB VAL 936 HB VAL 936 -3.503 5.907 -0.371 132 1HG1 VAL 936 1HG1 VAL 936 -5.805 6.186 -2.301 133 2HG1 VAL 936 2HG1 VAL 936 -4.305 5.308 -2.599 134 3HG1 VAL 936 3HG1 VAL 936 -5.419 4.752 -1.351 135 1HG2 VAL 936 1HG2 VAL 936 -3.116 8.274 -0.763 136 2HG2 VAL 936 2HG2 VAL 936 -2.981 7.360 -2.267 137 3HG2 VAL 936 3HG2 VAL 936 -4.431 8.309 -1.938 138 H ILE 937 H ILE 937 -7.644 6.106 0.301 139 HA ILE 937 HA ILE 937 -8.875 8.274 -1.075 140 HB ILE 937 HB ILE 937 -10.079 6.170 0.733 141 1HG1 ILE 937 1HG1 ILE 937 -9.105 5.271 -1.320 142 2HG1 ILE 937 2HG1 ILE 937 -10.861 5.164 -1.374 143 1HG2 ILE 937 1HG2 ILE 937 -11.500 8.145 0.708 144 2HG2 ILE 937 2HG2 ILE 937 -11.477 8.156 -1.055 145 3HG2 ILE 937 3HG2 ILE 937 -12.250 6.826 -0.191 146 1HD1 ILE 937 1HD1 ILE 937 -10.922 7.151 -2.808 147 2HD1 ILE 937 2HD1 ILE 937 -9.161 7.223 -2.768 148 3HD1 ILE 937 3HD1 ILE 937 -9.971 5.847 -3.519 149 H GLU 938 H GLU 938 -8.369 7.399 2.311 150 HA GLU 938 HA GLU 938 -9.476 9.620 3.568 151 1HB GLU 938 HB1 GLU 938 -6.882 8.242 4.331 152 2HB GLU 938 HB2 GLU 938 -7.890 9.226 5.387 153 1HG GLU 938 HG1 GLU 938 -9.732 7.579 5.073 154 2HG GLU 938 HG2 GLU 938 -8.603 6.562 4.182 155 H MET 939 H MET 939 -6.259 9.172 2.183 156 HA MET 939 HA MET 939 -5.228 11.724 2.662 157 1HB MET 939 HB1 MET 939 -3.727 10.030 1.955 158 2HB MET 939 HB2 MET 939 -4.677 9.670 0.523 159 1HG MET 939 HG1 MET 939 -3.414 12.358 0.838 160 2HG MET 939 HG2 MET 939 -2.447 10.979 0.319 161 1HE MET 939 HE1 MET 939 -2.818 13.660 -1.360 162 2HE MET 939 HE2 MET 939 -1.846 12.311 -1.950 163 3HE MET 939 HE3 MET 939 -3.076 13.031 -2.988 164 H SER 940 H SER 940 -7.101 10.482 -0.069 165 HA SER 940 HA SER 940 -6.964 12.796 -1.653 166 1HB SER 940 HB1 SER 940 -7.648 10.513 -2.431 167 2HB SER 940 HB2 SER 940 -9.193 10.757 -1.621 168 HG SER 940 HG SER 940 -8.523 11.500 -4.056 169 H SER 941 H SER 941 -9.190 11.850 0.930 170 HA SER 941 HA SER 941 -11.050 13.964 0.270 171 1HB SER 941 HB1 SER 941 -11.976 13.243 2.619 172 2HB SER 941 HB2 SER 941 -12.171 12.163 1.239 173 HG SER 941 HG SER 941 -10.531 10.896 1.983 174 H LYS 942 H LYS 942 -8.572 13.241 2.585 175 HA LYS 942 HA LYS 942 -8.587 15.434 4.233 176 1HB LYS 942 HB1 LYS 942 -6.720 13.375 3.395 177 2HB LYS 942 HB2 LYS 942 -5.903 14.889 3.755 178 1HG LYS 942 HG1 LYS 942 -7.867 13.642 5.642 179 2HG LYS 942 HG2 LYS 942 -6.143 13.252 5.657 180 1HD LYS 942 HD1 LYS 942 -5.549 15.491 6.108 181 2HD LYS 942 HD2 LYS 942 -7.191 16.056 5.788 182 1HE LYS 942 HE1 LYS 942 -6.723 16.013 8.185 183 2HE LYS 942 HE2 LYS 942 -7.991 14.865 7.764 184 1HZ LYS 942 HZ1 LYS 942 -5.162 14.043 8.040 185 2HZ LYS 942 HZ2 LYS 942 -6.216 14.086 9.359 186 3HZ LYS 942 HZ3 LYS 942 -6.545 13.067 8.047 187 H ILE 943 H ILE 943 -6.923 15.113 1.086 188 HA ILE 943 HA ILE 943 -5.794 17.711 1.263 189 HB ILE 943 HB ILE 943 -4.734 15.955 -0.074 190 1HG1 ILE 943 1HG1 ILE 943 -5.582 18.323 -1.758 191 2HG1 ILE 943 2HG1 ILE 943 -4.268 18.324 -0.589 192 1HG2 ILE 943 1HG2 ILE 943 -5.623 15.325 -2.266 193 2HG2 ILE 943 2HG2 ILE 943 -6.701 14.853 -0.953 194 3HG2 ILE 943 3HG2 ILE 943 -7.078 16.267 -1.938 195 1HD1 ILE 943 1HD1 ILE 943 -3.076 16.669 -1.925 196 2HD1 ILE 943 2HD1 ILE 943 -4.396 16.666 -3.096 197 3HD1 ILE 943 3HD1 ILE 943 -3.434 18.124 -2.857 198 H GLN 944 H GLN 944 -8.891 16.569 0.179 199 HA GLN 944 HA GLN 944 -9.447 18.499 -1.765 200 1HB GLN 944 HB1 GLN 944 -11.366 17.060 0.066 201 2HB GLN 944 HB2 GLN 944 -11.855 18.034 -1.315 202 1HG GLN 944 HG1 GLN 944 -10.200 15.526 -1.368 203 2HG GLN 944 HG2 GLN 944 -11.871 15.705 -1.898 204 1HE2 GLN 944 2HE2 GLN 944 -9.428 14.852 -3.301 205 2HE2 GLN 944 1HE2 GLN 944 -9.292 15.882 -4.687 206 HA PRO 945 HA PRO 945 -11.266 21.556 1.189 207 1HB PRO 945 HB1 PRO 945 -12.414 20.902 3.510 208 2HB PRO 945 HB2 PRO 945 -13.126 20.419 1.966 209 1HG PRO 945 HG1 PRO 945 -11.756 18.774 3.990 210 2HG PRO 945 HG2 PRO 945 -12.899 18.285 2.729 211 1HD PRO 945 HD1 PRO 945 -9.999 18.178 2.691 212 2HD PRO 945 HD2 PRO 945 -11.149 17.540 1.499 213 H ALA 946 H ALA 946 -8.616 19.973 2.310 214 HA ALA 946 HA ALA 946 -8.335 21.698 4.678 215 1HB ALA 946 HB1 ALA 946 -6.774 20.053 5.552 216 2HB ALA 946 HB2 ALA 946 -8.330 19.315 5.173 217 3HB ALA 946 HB3 ALA 946 -6.958 19.088 4.088 218 HA PRO 947 HA PRO 947 -4.758 23.643 2.892 219 1HB PRO 947 HB1 PRO 947 -3.486 24.465 5.098 220 2HB PRO 947 HB2 PRO 947 -5.068 25.125 4.660 221 1HG PRO 947 HG1 PRO 947 -4.398 22.986 6.650 222 2HG PRO 947 HG2 PRO 947 -5.496 24.369 6.826 223 1HD PRO 947 HD1 PRO 947 -6.341 21.845 6.219 224 2HD PRO 947 HD2 PRO 947 -7.200 23.312 5.709 225 HA PRO 948 HA PRO 948 -1.042 21.166 2.742 226 1HB PRO 948 HB1 PRO 948 0.455 23.421 3.996 227 2HB PRO 948 HB2 PRO 948 0.817 22.506 2.528 228 1HG PRO 948 HG1 PRO 948 -0.196 24.944 2.352 229 2HG PRO 948 HG2 PRO 948 -0.757 23.659 1.264 230 1HD PRO 948 HD1 PRO 948 -2.093 24.830 3.667 231 2HD PRO 948 HD2 PRO 948 -2.802 24.292 2.130 232 H GLU 949 H GLU 949 -1.744 22.798 5.746 233 HA GLU 949 HA GLU 949 -0.098 21.448 7.521 234 1HB GLU 949 HB1 GLU 949 -2.968 22.330 7.891 235 2HB GLU 949 HB2 GLU 949 -1.904 21.830 9.198 236 1HG GLU 949 HG1 GLU 949 -0.403 23.680 8.692 237 2HG GLU 949 HG2 GLU 949 -1.463 24.182 7.376 238 H GLU 950 H GLU 950 -2.983 20.388 5.840 239 HA GLU 950 HA GLU 950 -2.886 17.834 7.268 240 1HB GLU 950 HB1 GLU 950 -4.975 18.839 5.338 241 2HB GLU 950 HB2 GLU 950 -5.048 17.351 6.277 242 1HG GLU 950 HG1 GLU 950 -4.962 20.127 7.439 243 2HG GLU 950 HG2 GLU 950 -6.422 19.168 7.214 244 H TYR 951 H TYR 951 -1.502 19.156 4.579 245 HA TYR 951 HA TYR 951 -1.734 17.039 2.709 246 1HB TYR 951 HB1 TYR 951 0.453 19.068 3.170 247 2HB TYR 951 HB2 TYR 951 0.580 17.830 1.930 248 HD1 TYR 951 HD1 TYR 951 -2.734 18.330 1.787 249 HD2 TYR 951 HD2 TYR 951 0.848 20.507 1.085 250 HE1 TYR 951 HE1 TYR 951 -3.931 19.782 0.207 251 HE2 TYR 951 HE2 TYR 951 -0.333 21.970 -0.484 252 HH TYR 951 HH TYR 951 -3.775 21.938 -0.791 253 H VAL 952 H VAL 952 0.410 17.664 5.442 254 HA VAL 952 HA VAL 952 1.749 15.173 5.040 255 HB VAL 952 HB VAL 952 3.211 16.476 6.157 256 1HG1 VAL 952 1HG1 VAL 952 1.814 18.385 6.550 257 2HG1 VAL 952 2HG1 VAL 952 0.964 17.557 7.856 258 3HG1 VAL 952 3HG1 VAL 952 2.664 17.988 8.043 259 1HG2 VAL 952 1HG2 VAL 952 3.411 15.787 8.517 260 2HG2 VAL 952 2HG2 VAL 952 1.789 15.099 8.436 261 3HG2 VAL 952 3HG2 VAL 952 3.078 14.434 7.434 262 HA PRO 953 HA PRO 953 -1.333 13.566 8.620 263 1HB PRO 953 HB1 PRO 953 -3.499 15.377 7.664 264 2HB PRO 953 HB2 PRO 953 -3.280 14.636 9.259 265 1HG PRO 953 HG1 PRO 953 -2.622 17.161 8.923 266 2HG PRO 953 HG2 PRO 953 -1.543 16.085 9.833 267 1HD PRO 953 HD1 PRO 953 -1.270 17.131 7.050 268 2HD PRO 953 HD2 PRO 953 -0.019 16.836 8.272 269 H MET 954 H MET 954 -2.402 14.741 5.391 270 HA MET 954 HA MET 954 -4.281 12.674 5.006 271 1HB MET 954 HB1 MET 954 -4.367 13.295 2.694 272 2HB MET 954 HB2 MET 954 -4.193 14.766 3.636 273 1HG MET 954 HG1 MET 954 -1.825 14.842 3.085 274 2HG MET 954 HG2 MET 954 -1.991 13.357 2.152 275 1HE MET 954 HE1 MET 954 -0.685 15.974 0.933 276 2HE MET 954 HE2 MET 954 -0.908 14.469 0.043 277 3HE MET 954 HE3 MET 954 -1.446 15.995 -0.658 278 H VAL 955 H VAL 955 -0.926 12.971 3.854 279 HA VAL 955 HA VAL 955 -0.788 10.302 2.989 280 HB VAL 955 HB VAL 955 1.469 12.128 3.842 281 1HG1 VAL 955 1HG1 VAL 955 2.925 10.607 2.601 282 2HG1 VAL 955 2HG1 VAL 955 2.147 9.780 3.951 283 3HG1 VAL 955 3HG1 VAL 955 1.561 9.530 2.306 284 1HG2 VAL 955 1HG2 VAL 955 0.194 12.996 1.973 285 2HG2 VAL 955 2HG2 VAL 955 1.755 12.404 1.403 286 3HG2 VAL 955 3HG2 VAL 955 0.298 11.442 1.144 287 H LYS 956 H LYS 956 -0.510 11.705 6.157 288 HA LYS 956 HA LYS 956 0.743 9.554 7.484 289 1HB LYS 956 HB1 LYS 956 0.215 11.778 8.511 290 2HB LYS 956 HB2 LYS 956 -1.480 11.312 8.547 291 1HG LYS 956 HG1 LYS 956 -0.955 9.473 10.057 292 2HG LYS 956 HG2 LYS 956 0.753 9.917 10.010 293 1HD LYS 956 HD1 LYS 956 0.171 12.128 10.945 294 2HD LYS 956 HD2 LYS 956 -1.514 11.612 11.057 295 1HE LYS 956 HE1 LYS 956 -0.862 9.811 12.572 296 2HE LYS 956 HE2 LYS 956 0.823 10.315 12.452 297 1HZ LYS 956 HZ1 LYS 956 0.055 12.524 13.330 298 2HZ LYS 956 HZ2 LYS 956 -1.432 11.786 13.689 299 3HZ LYS 956 HZ3 LYS 956 -0.013 11.236 14.431 300 H GLU 957 H GLU 957 -2.585 10.182 6.583 301 HA GLU 957 HA GLU 957 -3.869 7.944 7.554 302 1HB GLU 957 HB1 GLU 957 -4.389 9.166 4.829 303 2HB GLU 957 HB2 GLU 957 -5.529 8.260 5.814 304 1HG GLU 957 HG1 GLU 957 -4.323 10.898 6.612 305 2HG GLU 957 HG2 GLU 957 -5.881 10.716 5.813 306 H VAL 958 H VAL 958 -2.147 8.225 4.398 307 HA VAL 958 HA VAL 958 -2.512 5.451 3.803 308 HB VAL 958 HB VAL 958 -1.246 5.742 1.865 309 1HG1 VAL 958 1HG1 VAL 958 -2.064 7.795 0.869 310 2HG1 VAL 958 2HG1 VAL 958 -3.300 7.047 1.880 311 3HG1 VAL 958 3HG1 VAL 958 -2.411 8.450 2.471 312 1HG2 VAL 958 1HG2 VAL 958 0.045 8.155 3.129 313 2HG2 VAL 958 2HG2 VAL 958 0.805 6.593 2.826 314 3HG2 VAL 958 3HG2 VAL 958 0.304 7.608 1.472 315 H GLY 959 H GLY 959 -0.166 7.179 5.689 316 1HA GLY 959 HA1 GLY 959 1.908 5.228 5.567 317 2HA GLY 959 HA2 GLY 959 1.709 6.446 6.822 318 H LEU 960 H LEU 960 -0.655 5.833 7.951 319 HA LEU 960 HA LEU 960 -0.277 3.477 9.417 320 1HB LEU 960 HB1 LEU 960 -2.613 5.291 9.001 321 2HB LEU 960 HB2 LEU 960 -2.854 3.766 9.831 322 HG LEU 960 HG LEU 960 -2.550 5.526 11.449 323 1HD1 LEU 960 1HD1 LEU 960 -0.666 4.627 12.716 324 2HD1 LEU 960 2HD1 LEU 960 -1.655 3.345 12.018 325 3HD1 LEU 960 3HD1 LEU 960 -0.109 3.769 11.281 326 1HD2 LEU 960 1HD2 LEU 960 -1.299 7.100 10.058 327 2HD2 LEU 960 2HD2 LEU 960 -0.497 6.824 11.604 328 3HD2 LEU 960 3HD2 LEU 960 0.116 6.052 10.140 329 H ALA 961 H ALA 961 -1.829 4.049 6.383 330 HA ALA 961 HA ALA 961 -3.336 1.714 6.109 331 1HB ALA 961 HB1 ALA 961 -1.829 3.156 3.938 332 2HB ALA 961 HB2 ALA 961 -3.169 2.031 3.711 333 3HB ALA 961 HB3 ALA 961 -3.440 3.573 4.524 334 H LEU 962 H LEU 962 0.000 2.274 4.875 335 HA LEU 962 HA LEU 962 0.453 -0.419 4.252 336 1HB LEU 962 HB1 LEU 962 1.811 1.219 3.248 337 2HB LEU 962 HB2 LEU 962 2.290 1.891 4.794 338 HG LEU 962 HG LEU 962 3.087 -0.917 4.134 339 1HD1 LEU 962 1HD1 LEU 962 3.636 0.364 2.128 340 2HD1 LEU 962 2HD1 LEU 962 4.475 1.561 3.117 341 3HD1 LEU 962 3HD1 LEU 962 5.092 -0.088 3.014 342 1HD2 LEU 962 1HD2 LEU 962 3.559 0.024 6.358 343 2HD2 LEU 962 2HD2 LEU 962 5.039 -0.331 5.467 344 3HD2 LEU 962 3HD2 LEU 962 4.469 1.333 5.602 345 H ARG 963 H ARG 963 1.065 1.392 7.260 346 HA ARG 963 HA ARG 963 2.368 -0.633 8.646 347 1HB ARG 963 HB1 ARG 963 2.101 1.685 9.469 348 2HB ARG 963 HB2 ARG 963 0.406 1.349 9.806 349 1HG ARG 963 HG1 ARG 963 1.026 -0.331 11.429 350 2HG ARG 963 HG2 ARG 963 2.733 -0.100 11.047 351 1HD ARG 963 HD1 ARG 963 2.564 2.234 11.809 352 2HD ARG 963 HD2 ARG 963 0.877 1.953 12.244 353 HE ARG 963 HE ARG 963 2.011 0.064 13.676 354 1HH1 ARG 963 2HH1 ARG 963 3.088 3.352 13.175 355 2HH1 ARG 963 1HH1 ARG 963 3.872 3.478 14.719 356 1HH2 ARG 963 2HH2 ARG 963 3.055 0.201 15.711 357 2HH2 ARG 963 1HH2 ARG 963 3.876 1.674 16.152 358 H THR 964 H THR 964 -1.147 0.040 8.744 359 HA THR 964 HA THR 964 -1.937 -2.256 10.095 360 HB THR 964 HB THR 964 -3.458 -0.950 7.824 361 HG1 THR 964 HG1 THR 964 -4.000 0.603 9.200 362 1HG2 THR 964 1HG2 THR 964 -4.418 -2.549 10.202 363 2HG2 THR 964 2HG2 THR 964 -5.449 -1.757 9.010 364 3HG2 THR 964 3HG2 THR 964 -4.406 -3.093 8.524 365 H LEU 965 H LEU 965 -1.318 -1.744 6.690 366 HA LEU 965 HA LEU 965 -1.982 -4.276 5.695 367 1HB LEU 965 HB1 LEU 965 -1.709 -2.527 4.161 368 2HB LEU 965 HB2 LEU 965 -0.150 -2.078 4.815 369 HG LEU 965 HG LEU 965 -0.341 -4.753 3.546 370 1HD1 LEU 965 1HD1 LEU 965 -1.641 -3.320 2.041 371 2HD1 LEU 965 2HD1 LEU 965 -0.306 -2.170 1.991 372 3HD1 LEU 965 3HD1 LEU 965 -0.100 -3.790 1.325 373 1HD2 LEU 965 1HD2 LEU 965 1.681 -2.506 3.474 374 2HD2 LEU 965 2HD2 LEU 965 1.760 -3.938 4.501 375 3HD2 LEU 965 3HD2 LEU 965 1.889 -4.102 2.750 376 H LEU 966 H LEU 966 0.776 -3.116 7.406 377 HA LEU 966 HA LEU 966 2.616 -5.174 6.701 378 1HB LEU 966 HB1 LEU 966 3.332 -3.003 7.607 379 2HB LEU 966 HB2 LEU 966 2.573 -3.391 9.138 380 HG LEU 966 HG LEU 966 4.163 -5.275 9.416 381 1HD1 LEU 966 1HD1 LEU 966 4.640 -5.700 7.070 382 2HD1 LEU 966 2HD1 LEU 966 5.443 -4.135 6.940 383 3HD1 LEU 966 3HD1 LEU 966 6.126 -5.392 7.972 384 1HD2 LEU 966 1HD2 LEU 966 6.123 -3.881 9.898 385 2HD2 LEU 966 2HD2 LEU 966 5.404 -2.565 8.971 386 3HD2 LEU 966 3HD2 LEU 966 4.626 -3.130 10.450 387 H ALA 967 H ALA 967 0.155 -4.851 9.179 388 HA ALA 967 HA ALA 967 0.801 -7.168 10.664 389 1HB ALA 967 HB1 ALA 967 -0.796 -5.532 11.493 390 2HB ALA 967 HB2 ALA 967 -1.900 -5.913 10.172 391 3HB ALA 967 HB3 ALA 967 -1.544 -7.127 11.401 392 H THR 968 H THR 968 -1.108 -6.624 7.767 393 HA THR 968 HA THR 968 -1.826 -9.367 7.388 394 HB THR 968 HB THR 968 -1.939 -6.906 5.719 395 HG1 THR 968 HG1 THR 968 -4.082 -8.540 5.715 396 1HG2 THR 968 1HG2 THR 968 -2.820 -8.197 3.809 397 2HG2 THR 968 2HG2 THR 968 -1.115 -8.529 4.107 398 3HG2 THR 968 3HG2 THR 968 -2.340 -9.691 4.614 399 H VAL 969 H VAL 969 0.836 -7.358 6.287 400 HA VAL 969 HA VAL 969 2.176 -9.159 4.674 401 HB VAL 969 HB VAL 969 3.375 -7.189 6.633 402 1HG1 VAL 969 1HG1 VAL 969 4.716 -8.619 4.337 403 2HG1 VAL 969 2HG1 VAL 969 5.438 -7.367 5.349 404 3HG1 VAL 969 3HG1 VAL 969 5.007 -8.926 6.050 405 1HG2 VAL 969 1HG2 VAL 969 2.872 -7.027 3.662 406 2HG2 VAL 969 2HG2 VAL 969 1.972 -6.176 4.917 407 3HG2 VAL 969 3HG2 VAL 969 3.671 -5.794 4.639 408 H ASP 970 H ASP 970 1.857 -9.171 8.178 409 HA ASP 970 HA ASP 970 3.768 -11.293 8.544 410 1HB ASP 970 HB1 ASP 970 3.339 -9.703 10.368 411 2HB ASP 970 HB2 ASP 970 1.663 -10.235 10.439 412 H GLU 971 H GLU 971 0.362 -11.111 7.975 413 HA GLU 971 HA GLU 971 -0.234 -13.857 8.417 414 1HB GLU 971 HB1 GLU 971 -1.435 -12.026 6.320 415 2HB GLU 971 HB2 GLU 971 -2.160 -13.489 6.966 416 1HG GLU 971 HG1 GLU 971 -1.555 -11.025 8.575 417 2HG GLU 971 HG2 GLU 971 -3.140 -11.412 7.875 418 H SER 972 H SER 972 0.547 -12.039 5.519 419 HA SER 972 HA SER 972 0.906 -14.229 3.817 420 1HB SER 972 HB1 SER 972 0.493 -11.977 2.988 421 2HB SER 972 HB2 SER 972 2.038 -11.427 3.649 422 HG SER 972 HG SER 972 2.852 -13.295 2.231 423 H LEU 973 H LEU 973 2.977 -12.823 6.230 424 HA LEU 973 HA LEU 973 5.485 -13.406 5.157 425 1HB LEU 973 HB1 LEU 973 4.849 -12.008 7.222 426 2HB LEU 973 HB2 LEU 973 4.928 -13.512 8.113 427 HG LEU 973 HG LEU 973 7.257 -12.453 6.511 428 1HD1 LEU 973 1HD1 LEU 973 8.144 -11.560 8.596 429 2HD1 LEU 973 2HD1 LEU 973 6.620 -10.784 8.170 430 3HD1 LEU 973 3HD1 LEU 973 6.656 -12.014 9.433 431 1HD2 LEU 973 1HD2 LEU 973 7.097 -14.419 8.796 432 2HD2 LEU 973 2HD2 LEU 973 7.361 -14.824 7.100 433 3HD2 LEU 973 3HD2 LEU 973 8.571 -13.891 7.982 434 HA PRO 974 HA PRO 974 5.378 -17.829 7.292 435 1HB PRO 974 HB1 PRO 974 2.416 -18.143 7.281 436 2HB PRO 974 HB2 PRO 974 3.611 -18.815 8.398 437 1HG PRO 974 HG1 PRO 974 2.077 -16.769 9.123 438 2HG PRO 974 HG2 PRO 974 3.781 -16.851 9.609 439 1HD PRO 974 HD1 PRO 974 2.491 -15.185 7.496 440 2HD PRO 974 HD2 PRO 974 3.834 -14.789 8.584 441 H VAL 975 H VAL 975 2.921 -16.463 5.155 442 HA VAL 975 HA VAL 975 3.053 -18.718 3.330 443 HB VAL 975 HB VAL 975 2.007 -16.027 2.535 444 1HG1 VAL 975 1HG1 VAL 975 2.144 -17.789 0.854 445 2HG1 VAL 975 2HG1 VAL 975 1.208 -18.863 1.894 446 3HG1 VAL 975 3HG1 VAL 975 0.464 -17.407 1.231 447 1HG2 VAL 975 1HG2 VAL 975 -0.158 -16.633 3.498 448 2HG2 VAL 975 2HG2 VAL 975 0.555 -18.086 4.198 449 3HG2 VAL 975 3HG2 VAL 975 1.074 -16.495 4.752 450 H LEU 976 H LEU 976 5.070 -15.983 3.842 451 HA LEU 976 HA LEU 976 6.164 -15.673 1.272 452 1HB LEU 976 HB1 LEU 976 7.236 -15.111 4.006 453 2HB LEU 976 HB2 LEU 976 8.345 -15.111 2.650 454 HG LEU 976 HG LEU 976 7.333 -13.249 1.655 455 1HD1 LEU 976 1HD1 LEU 976 4.994 -13.899 1.963 456 2HD1 LEU 976 2HD1 LEU 976 5.102 -13.439 3.662 457 3HD1 LEU 976 3HD1 LEU 976 5.286 -12.217 2.403 458 1HD2 LEU 976 1HD2 LEU 976 7.436 -11.561 3.420 459 2HD2 LEU 976 2HD2 LEU 976 7.350 -12.832 4.638 460 3HD2 LEU 976 3HD2 LEU 976 8.744 -12.736 3.563 461 HA PRO 977 HA PRO 977 9.566 -18.984 2.318 462 1HB PRO 977 HB1 PRO 977 8.892 -20.698 4.388 463 2HB PRO 977 HB2 PRO 977 10.050 -19.369 4.512 464 1HG PRO 977 HG1 PRO 977 7.173 -19.461 5.315 465 2HG PRO 977 HG2 PRO 977 8.547 -18.703 6.143 466 1HD PRO 977 HD1 PRO 977 6.807 -17.244 4.737 467 2HD PRO 977 HD2 PRO 977 8.539 -16.859 4.737 468 H ALA 978 H ALA 978 6.163 -19.567 2.990 469 HA ALA 978 HA ALA 978 5.916 -22.105 1.849 470 1HB ALA 978 HB1 ALA 978 3.568 -21.593 1.555 471 2HB ALA 978 HB2 ALA 978 4.126 -20.983 3.113 472 3HB ALA 978 HB3 ALA 978 3.892 -19.872 1.763 473 H SER 979 H SER 979 5.577 -18.889 0.295 474 HA SER 979 HA SER 979 6.654 -19.797 -2.171 475 1HB SER 979 HB1 SER 979 4.278 -20.857 -2.012 476 2HB SER 979 HB2 SER 979 3.707 -19.222 -2.362 477 HG SER 979 HG SER 979 5.700 -20.393 -3.979 478 H THR 980 H THR 980 4.754 -17.465 -0.419 479 HA THR 980 HA THR 980 4.512 -15.461 -2.358 480 HB THR 980 HB THR 980 4.570 -15.045 0.625 481 HG1 THR 980 HG1 THR 980 3.032 -16.551 0.401 482 1HG2 THR 980 1HG2 THR 980 4.561 -12.993 -0.707 483 2HG2 THR 980 2HG2 THR 980 3.162 -13.578 -1.607 484 3HG2 THR 980 3HG2 THR 980 3.016 -13.219 0.114 485 H HIS 981 H HIS 981 7.259 -16.238 -0.385 486 HA HIS 981 HA HIS 981 8.396 -13.766 0.053 487 1HB HIS 981 HB1 HIS 981 9.272 -15.830 1.022 488 2HB HIS 981 HB2 HIS 981 9.823 -16.360 -0.561 489 HD1 HIS 981 HD1 HIS 981 12.279 -16.236 -0.579 490 HD2 HIS 981 HD2 HIS 981 10.589 -12.976 1.376 491 HE1 HIS 981 HE1 HIS 981 14.211 -14.755 0.070 492 HE2 HIS 981 HE2 HIS 981 13.171 -12.821 1.321 493 H ARG 982 H ARG 982 8.105 -15.390 -2.989 494 HA ARG 982 HA ARG 982 10.193 -13.889 -4.283 495 1HB ARG 982 HB1 ARG 982 7.862 -15.451 -5.403 496 2HB ARG 982 HB2 ARG 982 9.105 -14.698 -6.391 497 1HG ARG 982 HG1 ARG 982 10.792 -16.124 -5.447 498 2HG ARG 982 HG2 ARG 982 9.628 -16.804 -4.305 499 1HD ARG 982 HD1 ARG 982 9.367 -16.987 -7.302 500 2HD ARG 982 HD2 ARG 982 10.094 -18.240 -6.299 501 HE ARG 982 HE ARG 982 7.944 -18.581 -5.265 502 1HH1 ARG 982 2HH1 ARG 982 7.917 -16.537 -8.114 503 2HH1 ARG 982 1HH1 ARG 982 6.242 -16.841 -8.473 504 1HH2 ARG 982 2HH2 ARG 982 5.754 -18.989 -5.730 505 2HH2 ARG 982 1HH2 ARG 982 5.014 -18.260 -7.129 506 H GLU 983 H GLU 983 6.605 -13.743 -4.501 507 HA GLU 983 HA GLU 983 6.687 -11.282 -5.934 508 1HB GLU 983 HB1 GLU 983 4.743 -13.080 -5.673 509 2HB GLU 983 HB2 GLU 983 4.259 -11.988 -4.388 510 1HG GLU 983 HG1 GLU 983 3.131 -10.996 -6.075 511 2HG GLU 983 HG2 GLU 983 4.689 -10.185 -6.287 512 H ILE 984 H ILE 984 6.116 -12.100 -2.547 513 HA ILE 984 HA ILE 984 5.154 -9.586 -1.772 514 HB ILE 984 HB ILE 984 5.219 -11.887 -0.516 515 1HG1 ILE 984 1HG1 ILE 984 4.107 -9.728 0.217 516 2HG1 ILE 984 2HG1 ILE 984 4.579 -10.824 1.505 517 1HG2 ILE 984 1HG2 ILE 984 7.605 -12.094 -0.324 518 2HG2 ILE 984 2HG2 ILE 984 7.716 -10.543 0.509 519 3HG2 ILE 984 3HG2 ILE 984 6.912 -11.907 1.286 520 1HD1 ILE 984 1HD1 ILE 984 6.064 -8.351 0.662 521 2HD1 ILE 984 2HD1 ILE 984 5.042 -8.523 2.089 522 3HD1 ILE 984 3HD1 ILE 984 6.536 -9.449 1.957 523 H GLU 985 H GLU 985 8.426 -10.907 -1.952 524 HA GLU 985 HA GLU 985 9.829 -8.725 -0.937 525 1HB GLU 985 HB1 GLU 985 10.467 -10.894 -2.856 526 2HB GLU 985 HB2 GLU 985 11.549 -9.509 -2.824 527 1HG GLU 985 HG1 GLU 985 10.792 -11.092 -0.385 528 2HG GLU 985 HG2 GLU 985 12.219 -11.420 -1.367 529 H MET 986 H MET 986 8.611 -9.229 -4.271 530 HA MET 986 HA MET 986 9.874 -6.935 -5.298 531 1HB MET 986 HB1 MET 986 8.696 -7.205 -7.279 532 2HB MET 986 HB2 MET 986 8.785 -8.835 -6.635 533 1HG MET 986 HG1 MET 986 6.519 -8.765 -5.931 534 2HG MET 986 HG2 MET 986 6.400 -7.040 -6.271 535 1HE MET 986 HE1 MET 986 6.524 -6.033 -8.735 536 2HE MET 986 HE2 MET 986 7.989 -6.940 -9.109 537 3HE MET 986 HE3 MET 986 6.604 -7.013 -10.199 538 H ALA 987 H ALA 987 6.617 -7.328 -3.964 539 HA ALA 987 HA ALA 987 5.921 -4.608 -4.509 540 1HB ALA 987 HB1 ALA 987 4.411 -6.552 -2.801 541 2HB ALA 987 HB2 ALA 987 3.794 -5.116 -3.620 542 3HB ALA 987 HB3 ALA 987 4.313 -6.515 -4.560 543 H GLN 988 H GLN 988 6.731 -6.475 -1.593 544 HA GLN 988 HA GLN 988 6.029 -4.472 0.226 545 1HB GLN 988 HB1 GLN 988 6.427 -6.742 0.970 546 2HB GLN 988 HB2 GLN 988 8.116 -6.641 0.493 547 1HG GLN 988 HG1 GLN 988 8.487 -4.910 2.186 548 2HG GLN 988 HG2 GLN 988 6.798 -5.037 2.674 549 1HE2 GLN 988 2HE2 GLN 988 7.414 -5.594 4.772 550 2HE2 GLN 988 1HE2 GLN 988 8.004 -7.178 5.146 551 H LYS 989 H LYS 989 9.197 -5.153 -1.278 552 HA LYS 989 HA LYS 989 10.527 -2.999 0.009 553 1HB LYS 989 HB1 LYS 989 11.673 -4.928 -1.135 554 2HB LYS 989 HB2 LYS 989 11.225 -4.207 -2.678 555 1HG LYS 989 HG1 LYS 989 12.541 -2.245 -2.188 556 2HG LYS 989 HG2 LYS 989 12.918 -2.861 -0.578 557 1HD LYS 989 HD1 LYS 989 13.992 -4.835 -1.703 558 2HD LYS 989 HD2 LYS 989 13.789 -3.981 -3.235 559 1HE LYS 989 HE1 LYS 989 15.272 -2.887 -0.852 560 2HE LYS 989 HE2 LYS 989 16.040 -3.711 -2.206 561 1HZ LYS 989 HZ1 LYS 989 15.353 -1.995 -3.681 562 2HZ LYS 989 HZ2 LYS 989 14.395 -1.256 -2.497 563 3HZ LYS 989 HZ3 LYS 989 16.079 -1.251 -2.346 564 H LEU 990 H LEU 990 8.580 -3.334 -2.849 565 HA LEU 990 HA LEU 990 9.026 -0.781 -3.966 566 1HB LEU 990 HB1 LEU 990 8.056 -2.154 -5.485 567 2HB LEU 990 HB2 LEU 990 7.141 -3.025 -4.280 568 HG LEU 990 HG LEU 990 5.498 -1.191 -4.236 569 1HD1 LEU 990 1HD1 LEU 990 5.547 0.478 -6.051 570 2HD1 LEU 990 2HD1 LEU 990 6.928 0.649 -4.967 571 3HD1 LEU 990 3HD1 LEU 990 7.133 -0.119 -6.542 572 1HD2 LEU 990 1HD2 LEU 990 4.500 -1.712 -6.402 573 2HD2 LEU 990 2HD2 LEU 990 6.035 -2.388 -6.947 574 3HD2 LEU 990 3HD2 LEU 990 5.154 -3.153 -5.624 575 H LEU 991 H LEU 991 6.723 -1.993 -1.570 576 HA LEU 991 HA LEU 991 5.092 0.256 -1.251 577 1HB LEU 991 HB1 LEU 991 6.041 -1.558 0.959 578 2HB LEU 991 HB2 LEU 991 4.585 -0.584 0.949 579 HG LEU 991 HG LEU 991 5.017 -2.809 -1.007 580 1HD1 LEU 991 1HD1 LEU 991 5.233 -3.723 1.251 581 2HD1 LEU 991 2HD1 LEU 991 3.731 -2.930 1.727 582 3HD1 LEU 991 3HD1 LEU 991 3.706 -4.218 0.522 583 1HD2 LEU 991 1HD2 LEU 991 3.266 -1.218 -1.546 584 2HD2 LEU 991 2HD2 LEU 991 2.562 -2.767 -1.078 585 3HD2 LEU 991 3HD2 LEU 991 2.566 -1.418 0.059 586 H ASN 992 H ASN 992 7.941 -0.735 0.616 587 HA ASN 992 HA ASN 992 8.054 1.455 2.320 588 1HB ASN 992 HB1 ASN 992 9.342 -0.541 2.771 589 2HB ASN 992 HB2 ASN 992 10.271 -0.329 1.292 590 1HD2 ASN 992 2HD2 ASN 992 9.731 0.828 4.531 591 2HD2 ASN 992 1HD2 ASN 992 11.191 1.750 4.665 592 H SER 993 H SER 993 9.138 1.086 -0.962 593 HA SER 993 HA SER 993 10.856 3.370 -0.909 594 1HB SER 993 HB1 SER 993 9.740 1.840 -3.267 595 2HB SER 993 HB2 SER 993 11.079 2.991 -3.313 596 HG SER 993 HG SER 993 10.972 0.462 -2.029 597 H ASP 994 H ASP 994 7.458 2.800 -1.827 598 HA ASP 994 HA ASP 994 7.428 5.559 -2.834 599 1HB ASP 994 HB1 ASP 994 5.683 3.213 -3.464 600 2HB ASP 994 HB2 ASP 994 5.143 4.858 -3.802 601 H LEU 995 H LEU 995 5.782 3.517 -0.424 602 HA LEU 995 HA LEU 995 4.070 5.537 0.537 603 1HB LEU 995 HB1 LEU 995 3.797 3.312 1.430 604 2HB LEU 995 HB2 LEU 995 5.452 3.267 1.997 605 HG LEU 995 HG LEU 995 3.575 3.515 3.710 606 1HD1 LEU 995 1HD1 LEU 995 4.895 5.004 5.138 607 2HD1 LEU 995 2HD1 LEU 995 5.895 3.811 4.311 608 3HD1 LEU 995 3HD1 LEU 995 5.856 5.478 3.737 609 1HD2 LEU 995 1HD2 LEU 995 2.860 5.833 4.152 610 2HD2 LEU 995 2HD2 LEU 995 3.614 6.325 2.636 611 3HD2 LEU 995 3HD2 LEU 995 2.256 5.201 2.620 612 H ALA 996 H ALA 996 7.479 4.877 1.109 613 HA ALA 996 HA ALA 996 7.912 6.924 3.009 614 1HB ALA 996 HB1 ALA 996 9.529 5.121 2.647 615 2HB ALA 996 HB2 ALA 996 9.918 5.800 1.067 616 3HB ALA 996 HB3 ALA 996 10.279 6.712 2.532 617 H GLU 997 H GLU 997 8.421 6.944 -0.526 618 HA GLU 997 HA GLU 997 9.058 9.574 -0.849 619 1HB GLU 997 HB1 GLU 997 7.439 7.722 -2.535 620 2HB GLU 997 HB2 GLU 997 7.618 9.414 -2.997 621 1HG GLU 997 HG1 GLU 997 9.945 7.645 -2.378 622 2HG GLU 997 HG2 GLU 997 9.263 7.798 -4.000 623 H LEU 998 H LEU 998 5.779 8.257 -0.395 624 HA LEU 998 HA LEU 998 4.550 10.804 -0.743 625 1HB LEU 998 HB1 LEU 998 3.671 8.135 -0.062 626 2HB LEU 998 HB2 LEU 998 2.888 9.330 0.955 627 HG LEU 998 HG LEU 998 2.776 9.088 -2.041 628 1HD1 LEU 998 1HD1 LEU 998 0.658 9.223 0.099 629 2HD1 LEU 998 2HD1 LEU 998 0.366 9.089 -1.635 630 3HD1 LEU 998 3HD1 LEU 998 1.169 7.776 -0.772 631 1HD2 LEU 998 1HD2 LEU 998 3.192 11.436 -1.528 632 2HD2 LEU 998 2HD2 LEU 998 1.536 11.192 -2.084 633 3HD2 LEU 998 3HD2 LEU 998 1.864 11.426 -0.368 634 H ILE 999 H ILE 999 6.066 9.159 1.895 635 HA ILE 999 HA ILE 999 5.091 10.819 3.997 636 HB ILE 999 HB ILE 999 7.668 9.244 3.818 637 1HG1 ILE 999 1HG1 ILE 999 5.690 7.832 3.721 638 2HG1 ILE 999 2HG1 ILE 999 6.494 7.636 5.274 639 1HG2 ILE 999 1HG2 ILE 999 7.798 9.461 6.251 640 2HG2 ILE 999 2HG2 ILE 999 7.898 11.029 5.450 641 3HG2 ILE 999 3HG2 ILE 999 6.396 10.530 6.230 642 1HD1 ILE 999 1HD1 ILE 999 4.092 7.704 5.542 643 2HD1 ILE 999 2HD1 ILE 999 4.838 9.107 6.306 644 3HD1 ILE 999 3HD1 ILE 999 4.028 9.279 4.749 645 H ASN1000 H ASN1000 7.984 10.960 1.948 646 HA ASN1000 HA ASN1000 8.853 13.491 3.030 647 1HB ASN1000 HB1 ASN1000 9.689 12.159 0.439 648 2HB ASN1000 HB2 ASN1000 10.555 13.423 1.300 649 1HD2 ASN1000 2HD2 ASN1000 11.327 10.709 0.456 650 2HD2 ASN1000 1HD2 ASN1000 11.889 9.926 1.891 651 H LYS1001 H LYS1001 6.543 12.540 0.749 652 HA LYS1001 HA LYS1001 6.672 15.048 -0.706 653 1HB LYS1001 HB1 LYS1001 5.301 12.474 -1.105 654 2HB LYS1001 HB2 LYS1001 4.407 13.894 -1.636 655 1HG LYS1001 HG1 LYS1001 5.841 12.809 -3.386 656 2HG LYS1001 HG2 LYS1001 6.126 14.532 -3.141 657 1HD LYS1001 HD1 LYS1001 8.053 13.935 -1.676 658 2HD LYS1001 HD2 LYS1001 7.799 12.244 -2.102 659 1HE LYS1001 HE1 LYS1001 8.284 14.398 -4.148 660 2HE LYS1001 HE2 LYS1001 9.585 13.471 -3.406 661 1HZ LYS1001 HZ1 LYS1001 7.324 12.207 -4.848 662 2HZ LYS1001 HZ2 LYS1001 8.779 12.631 -5.600 663 3HZ LYS1001 HZ3 LYS1001 8.775 11.478 -4.356 664 H MET1002 H MET1002 4.515 13.474 1.643 665 HA MET1002 HA MET1002 2.762 15.665 1.950 666 1HB MET1002 HB1 MET1002 2.080 14.645 3.995 667 2HB MET1002 HB2 MET1002 2.452 13.321 2.904 668 1HG MET1002 HG1 MET1002 4.634 13.053 3.990 669 2HG MET1002 HG2 MET1002 4.236 14.366 5.095 670 1HE MET1002 HE1 MET1002 5.222 11.661 6.256 671 2HE MET1002 HE2 MET1002 4.650 12.998 7.255 672 3HE MET1002 HE3 MET1002 4.038 11.368 7.529 673 H LYS1003 H LYS1003 5.806 14.696 3.335 674 HA LYS1003 HA LYS1003 6.236 16.838 5.080 675 1HB LYS1003 HB1 LYS1003 7.507 14.673 4.981 676 2HB LYS1003 HB2 LYS1003 8.280 15.241 3.513 677 1HG LYS1003 HG1 LYS1003 9.445 16.937 4.676 678 2HG LYS1003 HG2 LYS1003 8.473 16.700 6.135 679 1HD LYS1003 HD1 LYS1003 9.385 14.352 6.224 680 2HD LYS1003 HD2 LYS1003 10.495 14.812 4.933 681 1HE LYS1003 HE1 LYS1003 10.314 16.267 7.563 682 2HE LYS1003 HE2 LYS1003 11.424 14.930 7.268 683 1HZ LYS1003 HZ1 LYS1003 12.490 17.072 6.952 684 2HZ LYS1003 HZ2 LYS1003 12.445 16.204 5.495 685 3HZ LYS1003 HZ3 LYS1003 11.365 17.486 5.757 686 H LEU1004 H LEU1004 7.414 16.261 1.790 687 HA LEU1004 HA LEU1004 8.587 18.596 1.123 688 1HB LEU1004 HB1 LEU1004 8.330 16.534 -0.267 689 2HB LEU1004 HB2 LEU1004 6.715 17.077 -0.671 690 HG LEU1004 HG LEU1004 7.790 19.154 -1.651 691 1HD1 LEU1004 1HD1 LEU1004 9.954 18.931 -0.520 692 2HD1 LEU1004 2HD1 LEU1004 10.268 17.451 -1.427 693 3HD1 LEU1004 3HD1 LEU1004 10.131 18.993 -2.274 694 1HD2 LEU1004 1HD2 LEU1004 6.895 17.354 -3.012 695 2HD2 LEU1004 2HD2 LEU1004 8.375 17.997 -3.728 696 3HD2 LEU1004 3HD2 LEU1004 8.411 16.465 -2.856 697 H ALA1005 H ALA1005 5.121 17.967 0.515 698 HA ALA1005 HA ALA1005 4.536 20.512 -0.496 699 1HB ALA1005 HB1 ALA1005 3.034 18.620 -0.775 700 2HB ALA1005 HB2 ALA1005 2.723 18.589 0.959 701 3HB ALA1005 HB3 ALA1005 2.188 19.965 -0.008 702 H GLN1006 H GLN1006 4.314 19.219 2.767 703 HA GLN1006 HA GLN1006 3.417 21.683 3.916 704 1HB GLN1006 HB1 GLN1006 3.075 20.423 5.794 705 2HB GLN1006 HB2 GLN1006 3.167 19.122 4.613 706 1HG GLN1006 HG1 GLN1006 4.521 18.274 6.205 707 2HG GLN1006 HG2 GLN1006 5.715 19.165 5.264 708 1HE2 GLN1006 2HE2 GLN1006 7.057 19.255 7.099 709 2HE2 GLN1006 1HE2 GLN1006 6.749 20.370 8.381 710 H GLN1007 H GLN1007 6.350 20.546 2.834 711 HA GLN1007 HA GLN1007 8.086 21.730 4.796 712 1HB GLN1007 HB1 GLN1007 8.387 19.669 3.112 713 2HB GLN1007 HB2 GLN1007 9.031 20.939 2.084 714 1HG GLN1007 HG1 GLN1007 10.870 19.981 3.131 715 2HG GLN1007 HG2 GLN1007 10.596 21.497 4.000 716 1HE2 GLN1007 2HE2 GLN1007 8.180 19.992 5.282 717 2HE2 GLN1007 1HE2 GLN1007 8.946 19.104 6.561 718 H TYR1008 H TYR1008 6.987 22.488 1.526 719 HA TYR1008 HA TYR1008 8.138 25.193 1.851 720 1HB TYR1008 HB1 TYR1008 7.300 24.007 -0.779 721 2HB TYR1008 HB2 TYR1008 8.350 25.382 -0.491 722 HD1 TYR1008 HD1 TYR1008 8.323 22.281 -1.746 723 HD2 TYR1008 HD2 TYR1008 10.512 24.518 1.127 724 HE1 TYR1008 HE1 TYR1008 10.250 20.838 -2.142 725 HE2 TYR1008 HE2 TYR1008 12.467 23.057 0.780 726 HH TYR1008 HH TYR1008 12.704 20.909 -1.846 727 H VAL1009 H VAL1009 5.558 23.944 2.691 728 HA VAL1009 HA VAL1009 3.272 24.365 1.544 729 HB VAL1009 HB VAL1009 3.160 23.801 3.786 730 1HG1 VAL1009 1HG1 VAL1009 3.957 25.231 5.628 731 2HG1 VAL1009 2HG1 VAL1009 5.257 24.782 4.525 732 3HG1 VAL1009 3HG1 VAL1009 4.556 26.398 4.449 733 1HG2 VAL1009 1HG2 VAL1009 2.130 26.638 3.672 734 2HG2 VAL1009 2HG2 VAL1009 1.260 25.197 3.147 735 3HG2 VAL1009 3HG2 VAL1009 1.661 25.413 4.851 736 H MET1010 H MET1010 2.590 25.734 0.114 737 HA MET1010 HA MET1010 1.233 27.476 -0.425 738 1HB MET1010 HB1 MET1010 0.902 27.848 2.008 739 2HB MET1010 HB2 MET1010 2.312 28.894 2.016 740 1HG MET1010 HG1 MET1010 0.157 30.106 1.967 741 2HG MET1010 HG2 MET1010 1.222 30.491 0.615 742 1HE MET1010 HE1 MET1010 -0.876 31.615 -0.585 743 2HE MET1010 HE2 MET1010 -2.385 30.767 -0.927 744 3HE MET1010 HE3 MET1010 -1.943 31.148 0.738 745 H THR1011 H THR1011 1.365 29.640 -1.323 746 HA THR1011 HA THR1011 2.314 31.435 -2.321 747 HB THR1011 HB THR1011 4.987 30.626 -1.171 748 HG1 THR1011 HG1 THR1011 4.135 31.108 0.698 749 1HG2 THR1011 1HG2 THR1011 3.877 33.297 -2.047 750 2HG2 THR1011 2HG2 THR1011 5.474 33.021 -1.351 751 3HG2 THR1011 3HG2 THR1011 5.070 32.337 -2.925 752 H SER1012 H SER1012 1.755 30.005 -4.155 753 HA SER1012 HA SER1012 2.141 29.540 -6.325 754 1HB SER1012 HB1 SER1012 4.807 30.840 -5.772 755 2HB SER1012 HB2 SER1012 4.198 30.439 -7.379 756 HG SER1012 HG SER1012 2.293 31.762 -6.693 757 H LEU1013 H LEU1013 5.344 28.925 -4.881 758 HA LEU1013 HA LEU1013 6.002 26.958 -6.774 759 1HB LEU1013 HB1 LEU1013 7.197 27.686 -4.117 760 2HB LEU1013 HB2 LEU1013 7.844 26.381 -5.089 761 HG LEU1013 HG LEU1013 9.185 28.292 -5.508 762 1HD1 LEU1013 1HD1 LEU1013 7.254 27.964 -7.794 763 2HD1 LEU1013 2HD1 LEU1013 8.870 28.665 -7.896 764 3HD1 LEU1013 3HD1 LEU1013 8.671 26.965 -7.474 765 1HD2 LEU1013 1HD2 LEU1013 7.736 30.032 -4.688 766 2HD2 LEU1013 2HD2 LEU1013 8.251 30.419 -6.330 767 3HD2 LEU1013 3HD2 LEU1013 6.629 29.794 -6.042 768 H GLN1014 H GLN1014 4.024 26.692 -4.035 769 HA GLN1014 HA GLN1014 4.632 24.208 -2.983 770 1HB GLN1014 HB1 GLN1014 2.865 25.921 -2.216 771 2HB GLN1014 HB2 GLN1014 1.795 25.148 -3.374 772 1HG GLN1014 HG1 GLN1014 3.150 23.597 -1.190 773 2HG GLN1014 HG2 GLN1014 1.612 24.422 -0.949 774 1HE2 GLN1014 2HE2 GLN1014 3.239 21.796 -2.470 775 2HE2 GLN1014 1HE2 GLN1014 1.826 21.003 -3.064 776 H GLN1015 H GLN1015 2.670 24.985 -5.832 777 HA GLN1015 HA GLN1015 1.448 22.508 -6.163 778 1HB GLN1015 HB1 GLN1015 2.216 24.567 -8.179 779 2HB GLN1015 HB2 GLN1015 1.196 23.191 -8.561 780 1HG GLN1015 HG1 GLN1015 -0.366 23.981 -6.774 781 2HG GLN1015 HG2 GLN1015 0.619 25.436 -6.641 782 1HE2 GLN1015 2HE2 GLN1015 -1.037 26.788 -7.278 783 2HE2 GLN1015 1HE2 GLN1015 -1.623 26.852 -8.907 784 H GLU1016 H GLU1016 4.602 23.573 -7.493 785 HA GLU1016 HA GLU1016 5.498 21.376 -8.789 786 1HB GLU1016 HB1 GLU1016 7.086 23.072 -8.491 787 2HB GLU1016 HB2 GLU1016 6.825 23.141 -6.755 788 1HG GLU1016 HG1 GLU1016 8.809 22.085 -6.711 789 2HG GLU1016 HG2 GLU1016 7.812 20.661 -6.928 790 H TYR1017 H TYR1017 5.389 21.754 -5.307 791 HA TYR1017 HA TYR1017 6.434 19.131 -4.773 792 1HB TYR1017 HB1 TYR1017 5.212 21.076 -2.804 793 2HB TYR1017 HB2 TYR1017 6.452 19.844 -2.505 794 HD1 TYR1017 HD1 TYR1017 6.007 23.258 -2.902 795 HD2 TYR1017 HD2 TYR1017 8.533 20.096 -4.210 796 HE1 TYR1017 HE1 TYR1017 7.739 24.901 -3.513 797 HE2 TYR1017 HE2 TYR1017 10.276 21.721 -4.806 798 HH TYR1017 HH TYR1017 10.469 24.064 -5.399 799 H LYS1018 H LYS1018 3.384 20.663 -5.117 800 HA LYS1018 HA LYS1018 1.770 18.559 -4.069 801 1HB LYS1018 HB1 LYS1018 1.033 20.942 -4.595 802 2HB LYS1018 HB2 LYS1018 1.037 20.481 -6.290 803 1HG LYS1018 HG1 LYS1018 -0.583 18.630 -5.614 804 2HG LYS1018 HG2 LYS1018 -0.749 19.505 -4.090 805 1HD LYS1018 HD1 LYS1018 -1.291 20.623 -6.842 806 2HD LYS1018 HD2 LYS1018 -2.513 20.120 -5.677 807 1HE LYS1018 HE1 LYS1018 -0.488 22.288 -5.142 808 2HE LYS1018 HE2 LYS1018 -2.090 22.597 -5.804 809 1HZ LYS1018 HZ1 LYS1018 -1.497 21.384 -3.159 810 2HZ LYS1018 HZ2 LYS1018 -2.075 22.947 -3.432 811 3HZ LYS1018 HZ3 LYS1018 -3.050 21.604 -3.797 812 H LYS1019 H LYS1019 3.374 19.210 -7.118 813 HA LYS1019 HA LYS1019 2.028 17.149 -8.595 814 1HB LYS1019 HB1 LYS1019 4.340 18.973 -9.081 815 2HB LYS1019 HB2 LYS1019 4.180 17.543 -10.091 816 1HG LYS1019 HG1 LYS1019 1.962 19.539 -9.722 817 2HG LYS1019 HG2 LYS1019 3.170 19.657 -11.005 818 1HD LYS1019 HD1 LYS1019 1.280 17.345 -10.545 819 2HD LYS1019 HD2 LYS1019 1.136 18.564 -11.812 820 1HE LYS1019 HE1 LYS1019 3.296 17.845 -12.731 821 2HE LYS1019 HE2 LYS1019 3.410 16.611 -11.479 822 1HZ LYS1019 HZ1 LYS1019 1.407 16.765 -13.664 823 2HZ LYS1019 HZ2 LYS1019 2.618 15.597 -13.455 824 3HZ LYS1019 HZ3 LYS1019 1.315 15.662 -12.376 825 H GLN1020 H GLN1020 5.424 17.466 -7.570 826 HA GLN1020 HA GLN1020 6.233 14.869 -7.786 827 1HB GLN1020 HB1 GLN1020 6.941 16.541 -5.375 828 2HB GLN1020 HB2 GLN1020 7.916 15.296 -6.145 829 1HG GLN1020 HG1 GLN1020 7.991 16.772 -8.181 830 2HG GLN1020 HG2 GLN1020 7.256 18.035 -7.196 831 1HE2 GLN1020 2HE2 GLN1020 9.802 18.163 -8.469 832 2HE2 GLN1020 1HE2 GLN1020 10.990 18.338 -7.212 833 H MET1021 H MET1021 4.149 16.222 -5.307 834 HA MET1021 HA MET1021 4.054 13.941 -3.628 835 1HB MET1021 HB1 MET1021 3.334 16.195 -2.911 836 2HB MET1021 HB2 MET1021 1.977 16.107 -4.021 837 1HG MET1021 HG1 MET1021 2.345 14.065 -1.867 838 2HG MET1021 HG2 MET1021 1.589 15.619 -1.530 839 1HE MET1021 HE1 MET1021 -1.504 15.495 -3.975 840 2HE MET1021 HE2 MET1021 -0.685 16.441 -2.730 841 3HE MET1021 HE3 MET1021 0.096 16.169 -4.288 842 H LEU1022 H LEU1022 1.982 15.056 -6.293 843 HA LEU1022 HA LEU1022 0.157 12.927 -6.260 844 1HB LEU1022 HB1 LEU1022 1.115 14.643 -8.553 845 2HB LEU1022 HB2 LEU1022 -0.217 13.510 -8.675 846 HG LEU1022 HG LEU1022 -0.144 15.887 -6.815 847 1HD1 LEU1022 1HD1 LEU1022 -1.806 16.849 -8.342 848 2HD1 LEU1022 2HD1 LEU1022 -0.241 16.607 -9.121 849 3HD1 LEU1022 3HD1 LEU1022 -1.567 15.489 -9.439 850 1HD2 LEU1022 1HD2 LEU1022 -2.350 13.949 -7.503 851 2HD2 LEU1022 2HD2 LEU1022 -1.518 14.086 -5.954 852 3HD2 LEU1022 3HD2 LEU1022 -2.535 15.408 -6.529 853 H THR1023 H THR1023 3.269 13.291 -7.900 854 HA THR1023 HA THR1023 3.226 10.884 -9.352 855 HB THR1023 HB THR1023 5.660 12.252 -8.190 856 HG1 THR1023 HG1 THR1023 4.117 12.798 -10.523 857 1HG2 THR1023 1HG2 THR1023 6.793 11.312 -10.161 858 2HG2 THR1023 2HG2 THR1023 6.109 10.047 -9.139 859 3HG2 THR1023 3HG2 THR1023 5.294 10.511 -10.633 860 H ALA1024 H ALA1024 4.016 11.623 -6.035 861 HA ALA1024 HA ALA1024 5.150 9.030 -5.477 862 1HB ALA1024 HB1 ALA1024 5.233 9.788 -3.155 863 2HB ALA1024 HB2 ALA1024 5.929 10.988 -4.245 864 3HB ALA1024 HB3 ALA1024 4.309 11.226 -3.587 865 H ALA1025 H ALA1025 2.118 10.739 -4.876 866 HA ALA1025 HA ALA1025 0.839 8.758 -3.359 867 1HB ALA1025 HB1 ALA1025 -1.240 9.897 -3.951 868 2HB ALA1025 HB2 ALA1025 0.020 11.053 -3.516 869 3HB ALA1025 HB3 ALA1025 -0.395 10.794 -5.211 870 H HIS1026 H HIS1026 1.044 9.253 -6.852 871 HA HIS1026 HA HIS1026 -0.742 7.152 -7.506 872 1HB HIS1026 HB1 HIS1026 -0.257 8.864 -9.164 873 2HB HIS1026 HB2 HIS1026 1.453 8.446 -9.146 874 HD1 HIS1026 HD1 HIS1026 2.067 7.211 -11.192 875 HD2 HIS1026 HD2 HIS1026 -1.774 6.245 -9.913 876 HE1 HIS1026 HE1 HIS1026 1.195 5.537 -12.856 877 HE2 HIS1026 HE2 HIS1026 -1.089 4.882 -12.003 878 H ALA1027 H ALA1027 2.794 7.340 -7.358 879 HA ALA1027 HA ALA1027 3.299 4.674 -8.061 880 1HB ALA1027 HB1 ALA1027 5.020 6.408 -8.047 881 2HB ALA1027 HB2 ALA1027 4.931 6.484 -6.286 882 3HB ALA1027 HB3 ALA1027 5.499 5.014 -7.080 883 H LEU1028 H LEU1028 2.569 6.206 -4.994 884 HA LEU1028 HA LEU1028 2.908 3.996 -3.293 885 1HB LEU1028 HB1 LEU1028 2.594 6.231 -2.412 886 2HB LEU1028 HB2 LEU1028 1.002 6.328 -3.133 887 HG LEU1028 HG LEU1028 1.123 4.019 -1.437 888 1HD1 LEU1028 1HD1 LEU1028 1.870 6.629 -0.133 889 2HD1 LEU1028 2HD1 LEU1028 1.375 5.165 0.715 890 3HD1 LEU1028 3HD1 LEU1028 2.866 5.177 -0.225 891 1HD2 LEU1028 1HD2 LEU1028 -0.912 5.155 -2.162 892 2HD2 LEU1028 2HD2 LEU1028 -0.808 5.094 -0.402 893 3HD2 LEU1028 3HD2 LEU1028 -0.440 6.593 -1.255 894 H ALA1029 H ALA1029 0.004 5.250 -4.880 895 HA ALA1029 HA ALA1029 -1.733 3.226 -4.157 896 1HB ALA1029 HB1 ALA1029 -3.065 3.813 -6.125 897 2HB ALA1029 HB2 ALA1029 -2.461 5.257 -5.313 898 3HB ALA1029 HB3 ALA1029 -1.693 4.694 -6.798 899 H VAL1030 H VAL1030 0.585 3.316 -6.844 900 HA VAL1030 HA VAL1030 -0.022 0.784 -7.883 901 HB VAL1030 HB VAL1030 2.610 2.266 -7.988 902 1HG1 VAL1030 1HG1 VAL1030 1.535 0.076 -9.757 903 2HG1 VAL1030 2HG1 VAL1030 3.049 0.948 -9.993 904 3HG1 VAL1030 3HG1 VAL1030 2.840 -0.094 -8.584 905 1HG2 VAL1030 1HG2 VAL1030 0.264 2.276 -9.884 906 2HG2 VAL1030 2HG2 VAL1030 0.796 3.615 -8.866 907 3HG2 VAL1030 3HG2 VAL1030 1.822 3.046 -10.182 908 H ASP1031 H ASP1031 1.946 1.702 -5.100 909 HA ASP1031 HA ASP1031 3.227 -0.890 -5.031 910 1HB ASP1031 HB1 ASP1031 4.302 -0.279 -2.989 911 2HB ASP1031 HB2 ASP1031 4.384 1.103 -4.059 912 H ALA1032 H ALA1032 0.553 0.707 -3.407 913 HA ALA1032 HA ALA1032 -0.277 -1.443 -1.795 914 1HB ALA1032 HB1 ALA1032 -2.469 -0.352 -1.809 915 2HB ALA1032 HB2 ALA1032 -1.171 0.815 -1.548 916 3HB ALA1032 HB3 ALA1032 -1.941 0.691 -3.130 917 H LYS1033 H LYS1033 -1.297 -0.477 -5.086 918 HA LYS1033 HA LYS1033 -3.090 -2.605 -5.453 919 1HB LYS1033 HB1 LYS1033 -1.674 -0.775 -7.362 920 2HB LYS1033 HB2 LYS1033 -2.689 -2.085 -7.951 921 1HG LYS1033 HG1 LYS1033 -4.599 -1.167 -6.749 922 2HG LYS1033 HG2 LYS1033 -3.586 0.137 -6.122 923 1HD LYS1033 HD1 LYS1033 -4.934 0.850 -8.059 924 2HD LYS1033 HD2 LYS1033 -3.202 0.958 -8.376 925 1HE LYS1033 HE1 LYS1033 -4.284 0.024 -10.306 926 2HE LYS1033 HE2 LYS1033 -3.321 -1.231 -9.529 927 1HZ LYS1033 HZ1 LYS1033 -5.396 -2.174 -10.119 928 2HZ LYS1033 HZ2 LYS1033 -5.414 -1.988 -8.438 929 3HZ LYS1033 HZ3 LYS1033 -6.270 -0.902 -9.417 930 H ASN1034 H ASN1034 0.365 -2.341 -6.219 931 HA ASN1034 HA ASN1034 0.440 -4.790 -7.653 932 1HB ASN1034 HB1 ASN1034 2.183 -2.966 -7.780 933 2HB ASN1034 HB2 ASN1034 2.764 -3.511 -6.209 934 1HD2 ASN1034 2HD2 ASN1034 3.896 -5.425 -6.065 935 2HD2 ASN1034 1HD2 ASN1034 4.451 -6.300 -7.446 936 H LEU1035 H LEU1035 0.798 -3.950 -4.247 937 HA LEU1035 HA LEU1035 1.799 -6.586 -3.550 938 1HB LEU1035 HB1 LEU1035 2.566 -4.715 -2.215 939 2HB LEU1035 HB2 LEU1035 0.906 -4.293 -1.797 940 HG LEU1035 HG LEU1035 0.808 -6.680 -0.790 941 1HD1 LEU1035 1HD1 LEU1035 2.949 -7.494 0.059 942 2HD1 LEU1035 2HD1 LEU1035 2.889 -7.504 -1.704 943 3HD1 LEU1035 3HD1 LEU1035 3.785 -6.242 -0.859 944 1HD2 LEU1035 1HD2 LEU1035 0.658 -4.681 0.535 945 2HD2 LEU1035 2HD2 LEU1035 1.699 -5.856 1.336 946 3HD2 LEU1035 3HD2 LEU1035 2.408 -4.482 0.488 947 H LEU1036 H LEU1036 -1.323 -5.027 -3.747 948 HA LEU1036 HA LEU1036 -2.630 -6.963 -2.106 949 1HB LEU1036 HB1 LEU1036 -4.756 -6.052 -2.948 950 2HB LEU1036 HB2 LEU1036 -3.701 -4.831 -2.278 951 HG LEU1036 HG LEU1036 -3.051 -4.353 -4.740 952 1HD1 LEU1036 1HD1 LEU1036 -5.714 -5.700 -5.155 953 2HD1 LEU1036 2HD1 LEU1036 -4.775 -4.837 -6.368 954 3HD1 LEU1036 3HD1 LEU1036 -4.158 -6.340 -5.686 955 1HD2 LEU1036 1HD2 LEU1036 -4.955 -2.815 -4.943 956 2HD2 LEU1036 2HD2 LEU1036 -5.773 -3.671 -3.637 957 3HD2 LEU1036 3HD2 LEU1036 -4.266 -2.810 -3.320 958 H ASP1037 H ASP1037 -1.667 -6.750 -5.367 959 HA ASP1037 HA ASP1037 -3.075 -9.129 -6.183 960 1HB ASP1037 HB1 ASP1037 -0.983 -7.376 -7.438 961 2HB ASP1037 HB2 ASP1037 -1.281 -8.982 -8.093 962 H VAL1038 H VAL1038 0.237 -8.217 -5.356 963 HA VAL1038 HA VAL1038 1.576 -10.629 -5.423 964 HB VAL1038 HB VAL1038 1.761 -8.297 -3.518 965 1HG1 VAL1038 1HG1 VAL1038 3.892 -9.172 -2.736 966 2HG1 VAL1038 2HG1 VAL1038 2.572 -10.272 -2.341 967 3HG1 VAL1038 3HG1 VAL1038 3.649 -10.636 -3.688 968 1HG2 VAL1038 1HG2 VAL1038 3.824 -7.832 -4.783 969 2HG2 VAL1038 2HG2 VAL1038 3.472 -9.210 -5.824 970 3HG2 VAL1038 3HG2 VAL1038 2.385 -7.822 -5.804 971 H ILE1039 H ILE1039 -0.040 -9.235 -2.647 972 HA ILE1039 HA ILE1039 0.198 -11.508 -0.973 973 HB ILE1039 HB ILE1039 -1.248 -8.886 -0.775 974 1HG1 ILE1039 1HG1 ILE1039 1.084 -10.107 0.699 975 2HG1 ILE1039 2HG1 ILE1039 1.132 -8.755 -0.431 976 1HG2 ILE1039 1HG2 ILE1039 -1.296 -11.133 1.192 977 2HG2 ILE1039 2HG2 ILE1039 -1.756 -9.469 1.562 978 3HG2 ILE1039 3HG2 ILE1039 -2.664 -10.391 0.361 979 1HD1 ILE1039 1HD1 ILE1039 -0.190 -7.410 1.101 980 2HD1 ILE1039 2HD1 ILE1039 -0.274 -8.764 2.229 981 3HD1 ILE1039 3HD1 ILE1039 1.281 -7.999 1.883 982 H ASP1040 H ASP1040 -2.545 -10.112 -2.814 983 HA ASP1040 HA ASP1040 -4.481 -12.003 -2.310 984 1HB ASP1040 HB1 ASP1040 -4.867 -10.200 -3.906 985 2HB ASP1040 HB2 ASP1040 -3.646 -10.841 -4.992 986 H GLN1041 H GLN1041 -1.714 -12.218 -4.465 987 HA GLN1041 HA GLN1041 -2.153 -14.950 -5.193 988 1HB GLN1041 HB1 GLN1041 0.354 -13.283 -5.377 989 2HB GLN1041 HB2 GLN1041 0.170 -14.904 -6.029 990 1HG GLN1041 HG1 GLN1041 -1.424 -14.169 -7.630 991 2HG GLN1041 HG2 GLN1041 -1.556 -12.586 -6.865 992 1HE2 GLN1041 2HE2 GLN1041 1.475 -14.250 -7.339 993 2HE2 GLN1041 1HE2 GLN1041 2.109 -13.169 -8.527 994 H ALA1042 H ALA1042 -0.376 -13.269 -2.644 995 HA ALA1042 HA ALA1042 1.221 -15.239 -1.677 996 1HB ALA1042 HB1 ALA1042 1.099 -12.961 -0.784 997 2HB ALA1042 HB2 ALA1042 -0.433 -13.365 -0.007 998 3HB ALA1042 HB3 ALA1042 1.051 -14.184 0.486 999 H ARG1043 H ARG1043 -2.071 -14.615 -0.474 1000 HA ARG1043 HA ARG1043 -2.278 -16.974 1.002 1001 1HB ARG1043 HB1 ARG1043 -3.899 -14.814 0.560 1002 2HB ARG1043 HB2 ARG1043 -4.799 -16.105 -0.224 1003 1HG ARG1043 HG1 ARG1043 -5.499 -15.800 2.091 1004 2HG ARG1043 HG2 ARG1043 -4.788 -17.394 1.838 1005 1HD ARG1043 HD1 ARG1043 -2.816 -16.816 2.972 1006 2HD ARG1043 HD2 ARG1043 -3.156 -15.089 2.860 1007 HE ARG1043 HE ARG1043 -5.221 -16.233 4.331 1008 1HH1 ARG1043 2HH1 ARG1043 -1.743 -15.920 4.699 1009 2HH1 ARG1043 1HH1 ARG1043 -1.824 -15.762 6.427 1010 1HH2 ARG1043 2HH2 ARG1043 -5.305 -15.976 6.602 1011 2HH2 ARG1043 1HH2 ARG1043 -3.822 -15.790 7.496 1012 H LEU1044 H LEU1044 -2.716 -16.407 -2.420 1013 HA LEU1044 HA LEU1044 -3.763 -19.026 -2.973 1014 1HB LEU1044 HB1 LEU1044 -4.158 -17.053 -4.430 1015 2HB LEU1044 HB2 LEU1044 -2.458 -17.050 -4.846 1016 HG LEU1044 HG LEU1044 -2.719 -19.278 -5.880 1017 1HD1 LEU1044 1HD1 LEU1044 -5.645 -18.881 -5.275 1018 2HD1 LEU1044 2HD1 LEU1044 -4.958 -20.173 -6.260 1019 3HD1 LEU1044 3HD1 LEU1044 -4.587 -20.083 -4.539 1020 1HD2 LEU1044 1HD2 LEU1044 -4.625 -17.171 -6.891 1021 2HD2 LEU1044 2HD2 LEU1044 -2.901 -17.279 -7.249 1022 3HD2 LEU1044 3HD2 LEU1044 -4.001 -18.529 -7.830 1023 H LYS1045 H LYS1045 -0.619 -17.591 -2.638 1024 HA LYS1045 HA LYS1045 1.007 -19.560 -3.838 1025 1HB LYS1045 HB1 LYS1045 1.497 -17.701 -1.496 1026 2HB LYS1045 HB2 LYS1045 2.738 -18.752 -2.158 1027 1HG LYS1045 HG1 LYS1045 1.323 -16.553 -3.633 1028 2HG LYS1045 HG2 LYS1045 2.942 -16.470 -2.937 1029 1HD LYS1045 HD1 LYS1045 3.764 -17.278 -4.841 1030 2HD LYS1045 HD2 LYS1045 2.879 -18.775 -4.555 1031 1HE LYS1045 HE1 LYS1045 1.745 -16.353 -5.947 1032 2HE LYS1045 HE2 LYS1045 2.438 -17.745 -6.775 1033 1HZ LYS1045 HZ1 LYS1045 0.736 -19.142 -5.787 1034 2HZ LYS1045 HZ2 LYS1045 0.082 -17.811 -4.969 1035 3HZ LYS1045 HZ3 LYS1045 0.027 -17.872 -6.662 1036 H MET1046 H MET1046 -0.546 -19.218 -0.771 1037 HA MET1046 HA MET1046 0.634 -21.439 0.524 1038 1HB MET1046 HB1 MET1046 -0.651 -19.655 1.671 1039 2HB MET1046 HB2 MET1046 -2.117 -20.278 0.932 1040 1HG MET1046 HG1 MET1046 -1.825 -22.392 2.101 1041 2HG MET1046 HG2 MET1046 -0.327 -21.786 2.812 1042 1HE MET1046 HE1 MET1046 -2.820 -21.908 5.861 1043 2HE MET1046 HE2 MET1046 -2.758 -23.032 4.504 1044 3HE MET1046 HE3 MET1046 -1.262 -22.452 5.237 1045 H ILE1047 H ILE1047 -2.328 -21.070 -1.383 1046 HA ILE1047 HA ILE1047 -3.111 -23.764 -1.474 1047 HB ILE1047 HB ILE1047 -3.408 -21.671 -3.631 1048 1HG1 ILE1047 1HG1 ILE1047 -4.379 -20.969 -1.504 1049 2HG1 ILE1047 2HG1 ILE1047 -5.649 -21.325 -2.671 1050 1HG2 ILE1047 1HG2 ILE1047 -5.267 -23.042 -4.439 1051 2HG2 ILE1047 2HG2 ILE1047 -3.743 -23.927 -4.491 1052 3HG2 ILE1047 3HG2 ILE1047 -4.909 -24.254 -3.209 1053 1HD1 ILE1047 1HD1 ILE1047 -6.011 -23.494 -1.604 1054 2HD1 ILE1047 2HD1 ILE1047 -4.743 -23.126 -0.434 1055 3HD1 ILE1047 3HD1 ILE1047 -6.219 -22.161 -0.468 1056 H SER1048 H SER1048 -0.922 -21.876 -3.475 1057 HA SER1048 HA SER1048 -0.299 -23.647 -5.493 1058 1HB SER1048 HB1 SER1048 1.473 -21.596 -4.131 1059 2HB SER1048 HB2 SER1048 1.824 -22.347 -5.692 1060 HG SER1048 HG SER1048 -0.537 -21.471 -6.051 1061 H GLN1049 H GLN1049 0.810 -23.670 -2.178 1062 HA GLN1049 HA GLN1049 2.729 -25.790 -2.848 1063 1HB GLN1049 HB1 GLN1049 2.615 -23.844 -0.562 1064 2HB GLN1049 HB2 GLN1049 3.664 -25.257 -0.541 1065 1HG GLN1049 HG1 GLN1049 3.713 -23.137 -2.673 1066 2HG GLN1049 HG2 GLN1049 4.784 -23.171 -1.269 1067 1HE2 GLN1049 2HE2 GLN1049 3.972 -24.677 -4.294 1068 2HE2 GLN1049 1HE2 GLN1049 5.410 -25.634 -4.433 1069 H SER1050 H SER1050 -0.105 -25.079 -0.949 1070 HA SER1050 HA SER1050 0.132 -27.326 0.788 1071 1HB SER1050 HB1 SER1050 -1.187 -25.334 1.403 1072 2HB SER1050 HB2 SER1050 -2.317 -25.679 0.096 1073 HG SER1050 HG SER1050 -2.238 -27.890 1.414 1074 H ARG1051 H ARG1051 -0.971 -26.924 -2.456 1075 HA ARG1051 HA ARG1051 -2.075 -29.650 -2.354 1076 1HB ARG1051 HB1 ARG1051 -3.793 -27.755 -2.583 1077 2HB ARG1051 HB2 ARG1051 -3.142 -27.527 -4.202 1078 1HG ARG1051 HG1 ARG1051 -5.120 -28.920 -4.270 1079 2HG ARG1051 HG2 ARG1051 -3.696 -29.853 -4.743 1080 1HD ARG1051 HD1 ARG1051 -3.548 -30.676 -2.397 1081 2HD ARG1051 HD2 ARG1051 -5.078 -29.870 -2.065 1082 HE ARG1051 HE ARG1051 -5.110 -31.757 -4.271 1083 1HH1 ARG1051 2HH1 ARG1051 -5.640 -31.202 -0.851 1084 2HH1 ARG1051 1HH1 ARG1051 -6.656 -32.602 -0.648 1085 1HH2 ARG1051 2HH2 ARG1051 -6.411 -33.620 -4.001 1086 2HH2 ARG1051 1HH2 ARG1051 -7.096 -33.980 -2.444 1087 HA PRO1052 HA PRO1052 1.046 -30.064 -5.629 1088 1HB PRO1052 HB1 PRO1052 0.480 -32.915 -5.242 1089 2HB PRO1052 HB2 PRO1052 2.009 -32.050 -5.076 1090 1HG PRO1052 HG1 PRO1052 0.685 -33.043 -2.947 1091 2HG PRO1052 HG2 PRO1052 1.638 -31.549 -2.857 1092 1HD PRO1052 HD1 PRO1052 -1.329 -31.897 -3.106 1093 2HD PRO1052 HD2 PRO1052 -0.407 -30.753 -2.106 1094 H HIS1053 H HIS1053 -1.963 -31.893 -5.244 1095 HA HIS1053 HA HIS1053 -2.641 -31.278 -8.008 1096 1HB HIS1053 HB1 HIS1053 -1.638 -33.554 -8.047 1097 2HB HIS1053 HB2 HIS1053 -2.847 -34.085 -6.883 1098 HD1 HIS1053 HD1 HIS1053 -2.302 -33.512 -10.489 1099 HD2 HIS1053 HD2 HIS1053 -5.524 -34.174 -7.938 1100 HE1 HIS1053 HE1 HIS1053 -4.234 -34.103 -11.977 1101 HE2 HIS1053 HE2 HIS1053 -6.218 -34.241 -10.433 Start of MODEL 13 1 1H ARG 920 H ARG 920 -7.708 -19.299 -2.983 2 HA ARG 920 HA ARG 920 -7.735 -19.467 -0.218 3 1HB ARG 920 HB1 ARG 920 -6.511 -17.409 -0.106 4 2HB ARG 920 HB2 ARG 920 -5.836 -18.476 -1.327 5 1HG ARG 920 HG1 ARG 920 -7.723 -16.245 -1.986 6 2HG ARG 920 HG2 ARG 920 -5.997 -15.976 -1.782 7 1HD ARG 920 HD1 ARG 920 -5.589 -17.683 -3.537 8 2HD ARG 920 HD2 ARG 920 -7.336 -17.766 -3.785 9 HE ARG 920 HE ARG 920 -6.168 -15.104 -3.974 10 1HH1 ARG 920 2HH1 ARG 920 -7.168 -17.981 -5.722 11 2HH1 ARG 920 1HH1 ARG 920 -7.314 -17.150 -7.245 12 1HH2 ARG 920 2HH2 ARG 920 -6.358 -14.013 -5.960 13 2HH2 ARG 920 1HH2 ARG 920 -6.855 -14.896 -7.376 14 H SER 921 H SER 921 -9.679 -17.525 -2.298 15 HA SER 921 HA SER 921 -11.428 -16.195 -1.962 16 1HB SER 921 HB1 SER 921 -11.244 -16.932 0.954 17 2HB SER 921 HB2 SER 921 -12.598 -16.103 0.190 18 HG SER 921 HG SER 921 -13.340 -17.998 -0.253 19 H ASN 922 H ASN 922 -8.604 -15.464 -1.645 20 HA ASN 922 HA ASN 922 -7.275 -13.660 -1.183 21 1HB ASN 922 HB1 ASN 922 -9.443 -11.720 -1.432 22 2HB ASN 922 HB2 ASN 922 -7.948 -11.854 -2.340 23 1HD2 ASN 922 2HD2 ASN 922 -7.830 -13.317 -4.066 24 2HD2 ASN 922 1HD2 ASN 922 -9.266 -13.738 -4.961 25 H ASP 923 H ASP 923 -7.737 -14.612 1.103 26 HA ASP 923 HA ASP 923 -9.192 -13.439 3.071 27 1HB ASP 923 HB1 ASP 923 -6.417 -14.602 3.127 28 2HB ASP 923 HB2 ASP 923 -7.225 -14.064 4.592 29 H LYS 924 H LYS 924 -7.888 -12.378 4.986 30 HA LYS 924 HA LYS 924 -7.846 -9.735 4.922 31 1HB LYS 924 HB1 LYS 924 -6.984 -11.620 6.689 32 2HB LYS 924 HB2 LYS 924 -5.488 -10.764 6.351 33 1HG LYS 924 HG1 LYS 924 -8.014 -9.371 7.196 34 2HG LYS 924 HG2 LYS 924 -6.806 -9.963 8.336 35 1HD LYS 924 HD1 LYS 924 -5.113 -8.557 7.230 36 2HD LYS 924 HD2 LYS 924 -6.362 -7.937 6.146 37 1HE LYS 924 HE1 LYS 924 -5.914 -6.395 7.992 38 2HE LYS 924 HE2 LYS 924 -7.567 -7.004 8.038 39 1HZ LYS 924 HZ1 LYS 924 -5.341 -8.115 9.668 40 2HZ LYS 924 HZ2 LYS 924 -6.445 -6.963 10.233 41 3HZ LYS 924 HZ3 LYS 924 -6.986 -8.505 9.790 42 H VAL 925 H VAL 925 -5.379 -11.649 3.422 43 HA VAL 925 HA VAL 925 -3.409 -9.711 3.016 44 HB VAL 925 HB VAL 925 -2.803 -11.143 0.989 45 1HG1 VAL 925 1HG1 VAL 925 -1.747 -11.379 3.191 46 2HG1 VAL 925 2HG1 VAL 925 -3.028 -12.486 3.684 47 3HG1 VAL 925 3HG1 VAL 925 -1.924 -12.939 2.386 48 1HG2 VAL 925 1HG2 VAL 925 -4.983 -12.098 0.533 49 2HG2 VAL 925 2HG2 VAL 925 -3.844 -13.381 0.938 50 3HG2 VAL 925 3HG2 VAL 925 -5.023 -12.841 2.132 51 H TYR 926 H TYR 926 -6.158 -10.664 0.797 52 HA TYR 926 HA TYR 926 -5.344 -8.524 -1.029 53 1HB TYR 926 HB1 TYR 926 -6.297 -10.481 -2.035 54 2HB TYR 926 HB2 TYR 926 -7.698 -10.435 -0.973 55 HD1 TYR 926 HD1 TYR 926 -9.625 -9.254 -1.573 56 HD2 TYR 926 HD2 TYR 926 -6.028 -8.632 -3.764 57 HE1 TYR 926 HE1 TYR 926 -10.874 -7.954 -3.246 58 HE2 TYR 926 HE2 TYR 926 -7.269 -7.329 -5.442 59 HH TYR 926 HH TYR 926 -9.690 -7.204 -6.256 60 H GLU 927 H GLU 927 -7.464 -9.082 1.623 61 HA GLU 927 HA GLU 927 -9.337 -7.025 1.239 62 1HB GLU 927 HB1 GLU 927 -8.392 -8.437 3.731 63 2HB GLU 927 HB2 GLU 927 -9.746 -7.327 3.704 64 1HG GLU 927 HG1 GLU 927 -10.785 -8.817 1.957 65 2HG GLU 927 HG2 GLU 927 -9.506 -9.975 2.317 66 H ASN 928 H ASN 928 -6.529 -7.107 3.467 67 HA ASN 928 HA ASN 928 -6.974 -4.416 4.289 68 1HB ASN 928 HB1 ASN 928 -5.806 -6.325 5.571 69 2HB ASN 928 HB2 ASN 928 -4.375 -5.875 4.654 70 1HD2 ASN 928 2HD2 ASN 928 -5.023 -3.005 4.682 71 2HD2 ASN 928 1HD2 ASN 928 -4.710 -2.478 6.297 72 H VAL 929 H VAL 929 -4.767 -5.914 1.955 73 HA VAL 929 HA VAL 929 -3.319 -3.596 1.372 74 HB VAL 929 HB VAL 929 -2.691 -5.847 0.568 75 1HG1 VAL 929 1HG1 VAL 929 -4.902 -5.425 -1.427 76 2HG1 VAL 929 2HG1 VAL 929 -3.709 -6.724 -1.467 77 3HG1 VAL 929 3HG1 VAL 929 -4.866 -6.630 -0.140 78 1HG2 VAL 929 1HG2 VAL 929 -1.673 -3.846 -0.376 79 2HG2 VAL 929 2HG2 VAL 929 -1.825 -5.118 -1.588 80 3HG2 VAL 929 3HG2 VAL 929 -2.950 -3.760 -1.590 81 H THR 930 H THR 930 -6.463 -4.691 0.113 82 HA THR 930 HA THR 930 -6.846 -2.460 -1.594 83 HB THR 930 HB THR 930 -8.968 -4.076 -0.150 84 HG1 THR 930 HG1 THR 930 -7.925 -5.528 -1.414 85 1HG2 THR 930 1HG2 THR 930 -10.430 -3.356 -1.996 86 2HG2 THR 930 2HG2 THR 930 -9.835 -1.983 -1.063 87 3HG2 THR 930 3HG2 THR 930 -9.123 -2.357 -2.632 88 H GLY 931 H GLY 931 -7.463 -3.096 1.800 89 1HA GLY 931 HA1 GLY 931 -8.631 -0.681 2.567 90 2HA GLY 931 HA2 GLY 931 -7.604 -1.670 3.596 91 H LEU 932 H LEU 932 -5.274 -1.394 1.778 92 HA LEU 932 HA LEU 932 -4.116 0.976 2.783 93 1HB LEU 932 HB1 LEU 932 -3.002 -1.162 1.844 94 2HB LEU 932 HB2 LEU 932 -3.239 -0.440 0.268 95 HG LEU 932 HG LEU 932 -1.654 0.894 2.466 96 1HD1 LEU 932 1HD1 LEU 932 -0.620 -1.239 1.929 97 2HD1 LEU 932 2HD1 LEU 932 -0.678 -0.852 0.209 98 3HD1 LEU 932 3HD1 LEU 932 0.342 0.094 1.293 99 1HD2 LEU 932 1HD2 LEU 932 -0.702 2.190 0.621 100 2HD2 LEU 932 2HD2 LEU 932 -1.747 1.343 -0.518 101 3HD2 LEU 932 3HD2 LEU 932 -2.452 2.397 0.707 102 H VAL 933 H VAL 933 -5.575 0.116 -0.311 103 HA VAL 933 HA VAL 933 -5.297 2.615 -1.581 104 HB VAL 933 HB VAL 933 -7.495 0.579 -2.006 105 1HG1 VAL 933 1HG1 VAL 933 -6.377 2.684 -3.853 106 2HG1 VAL 933 2HG1 VAL 933 -7.620 1.500 -4.261 107 3HG1 VAL 933 3HG1 VAL 933 -7.947 2.740 -3.049 108 1HG2 VAL 933 1HG2 VAL 933 -6.072 -0.368 -3.747 109 2HG2 VAL 933 2HG2 VAL 933 -4.792 0.771 -3.329 110 3HG2 VAL 933 3HG2 VAL 933 -5.290 -0.460 -2.169 111 H LYS 934 H LYS 934 -7.798 1.276 0.508 112 HA LYS 934 HA LYS 934 -9.628 3.401 0.326 113 1HB LYS 934 HB1 LYS 934 -9.198 1.659 2.752 114 2HB LYS 934 HB2 LYS 934 -10.664 2.514 2.305 115 1HG LYS 934 HG1 LYS 934 -9.474 0.228 0.746 116 2HG LYS 934 HG2 LYS 934 -10.769 0.074 1.925 117 1HD LYS 934 HD1 LYS 934 -11.929 0.151 -0.074 118 2HD LYS 934 HD2 LYS 934 -11.983 1.832 0.451 119 1HE LYS 934 HE1 LYS 934 -10.214 2.423 -1.051 120 2HE LYS 934 HE2 LYS 934 -9.934 0.733 -1.469 121 1HZ LYS 934 HZ1 LYS 934 -11.249 2.074 -3.115 122 2HZ LYS 934 HZ2 LYS 934 -11.976 0.625 -2.620 123 3HZ LYS 934 HZ3 LYS 934 -12.515 2.106 -1.985 124 H ALA 935 H ALA 935 -6.788 2.888 2.306 125 HA ALA 935 HA ALA 935 -7.252 5.146 3.997 126 1HB ALA 935 HB1 ALA 935 -5.006 4.729 4.841 127 2HB ALA 935 HB2 ALA 935 -5.957 3.244 4.773 128 3HB ALA 935 HB3 ALA 935 -4.733 3.565 3.546 129 H VAL 936 H VAL 936 -5.623 4.655 0.922 130 HA VAL 936 HA VAL 936 -4.559 7.330 1.026 131 HB VAL 936 HB VAL 936 -3.323 5.606 -0.210 132 1HG1 VAL 936 1HG1 VAL 936 -5.197 4.366 -1.157 133 2HG1 VAL 936 2HG1 VAL 936 -5.590 5.735 -2.197 134 3HG1 VAL 936 3HG1 VAL 936 -4.067 4.870 -2.412 135 1HG2 VAL 936 1HG2 VAL 936 -4.256 7.901 -1.922 136 2HG2 VAL 936 2HG2 VAL 936 -2.956 7.945 -0.729 137 3HG2 VAL 936 3HG2 VAL 936 -2.793 6.951 -2.178 138 H ILE 937 H ILE 937 -7.507 5.847 0.203 139 HA ILE 937 HA ILE 937 -8.608 8.029 -1.255 140 HB ILE 937 HB ILE 937 -9.968 5.970 0.499 141 1HG1 ILE 937 1HG1 ILE 937 -8.917 5.008 -1.475 142 2HG1 ILE 937 2HG1 ILE 937 -10.668 4.987 -1.658 143 1HG2 ILE 937 1HG2 ILE 937 -11.353 7.952 0.397 144 2HG2 ILE 937 2HG2 ILE 937 -11.206 7.997 -1.360 145 3HG2 ILE 937 3HG2 ILE 937 -12.068 6.670 -0.581 146 1HD1 ILE 937 1HD1 ILE 937 -10.562 6.913 -3.121 147 2HD1 ILE 937 2HD1 ILE 937 -8.816 7.013 -2.892 148 3HD1 ILE 937 3HD1 ILE 937 -9.519 5.625 -3.721 149 H GLU 938 H GLU 938 -8.297 7.193 2.153 150 HA GLU 938 HA GLU 938 -9.460 9.391 3.363 151 1HB GLU 938 HB1 GLU 938 -6.915 7.936 4.125 152 2HB GLU 938 HB2 GLU 938 -7.718 9.119 5.155 153 1HG GLU 938 HG1 GLU 938 -9.721 7.761 5.238 154 2HG GLU 938 HG2 GLU 938 -9.010 6.597 4.126 155 H MET 939 H MET 939 -6.222 9.098 1.982 156 HA MET 939 HA MET 939 -5.281 11.670 2.531 157 1HB MET 939 HB1 MET 939 -3.877 9.847 1.620 158 2HB MET 939 HB2 MET 939 -4.726 9.974 0.084 159 1HG MET 939 HG1 MET 939 -3.947 12.401 0.054 160 2HG MET 939 HG2 MET 939 -2.850 11.935 1.352 161 1HE MET 939 HE1 MET 939 -4.054 9.992 -1.897 162 2HE MET 939 HE2 MET 939 -3.771 11.660 -2.393 163 3HE MET 939 HE3 MET 939 -2.715 10.372 -2.978 164 H SER 940 H SER 940 -7.192 10.443 -0.175 165 HA SER 940 HA SER 940 -7.202 12.827 -1.689 166 1HB SER 940 HB1 SER 940 -9.264 10.611 -1.698 167 2HB SER 940 HB2 SER 940 -8.954 11.770 -2.993 168 HG SER 940 HG SER 940 -6.792 10.251 -2.106 169 H SER 941 H SER 941 -9.268 11.636 0.898 170 HA SER 941 HA SER 941 -11.303 13.638 0.448 171 1HB SER 941 HB1 SER 941 -10.900 11.867 2.876 172 2HB SER 941 HB2 SER 941 -12.384 12.690 2.394 173 HG SER 941 HG SER 941 -11.078 10.558 1.039 174 H LYS 942 H LYS 942 -8.729 12.939 2.677 175 HA LYS 942 HA LYS 942 -8.805 14.999 4.470 176 1HB LYS 942 HB1 LYS 942 -6.815 13.174 3.377 177 2HB LYS 942 HB2 LYS 942 -6.116 14.703 3.884 178 1HG LYS 942 HG1 LYS 942 -7.904 13.112 5.688 179 2HG LYS 942 HG2 LYS 942 -6.166 12.811 5.578 180 1HD LYS 942 HD1 LYS 942 -5.765 15.192 6.107 181 2HD LYS 942 HD2 LYS 942 -7.506 15.397 6.325 182 1HE LYS 942 HE1 LYS 942 -5.684 13.594 7.926 183 2HE LYS 942 HE2 LYS 942 -6.425 15.094 8.482 184 1HZ LYS 942 HZ1 LYS 942 -7.681 13.277 9.329 185 2HZ LYS 942 HZ2 LYS 942 -8.614 14.013 8.118 186 3HZ LYS 942 HZ3 LYS 942 -7.809 12.557 7.799 187 H ILE 943 H ILE 943 -7.014 14.985 1.380 188 HA ILE 943 HA ILE 943 -6.016 17.585 1.695 189 HB ILE 943 HB ILE 943 -4.974 15.988 0.169 190 1HG1 ILE 943 1HG1 ILE 943 -5.975 18.452 -1.276 191 2HG1 ILE 943 2HG1 ILE 943 -4.592 18.392 -0.192 192 1HG2 ILE 943 1HG2 ILE 943 -5.961 15.515 -2.033 193 2HG2 ILE 943 2HG2 ILE 943 -6.925 14.870 -0.704 194 3HG2 ILE 943 3HG2 ILE 943 -7.432 16.344 -1.530 195 1HD1 ILE 943 1HD1 ILE 943 -3.868 18.395 -2.496 196 2HD1 ILE 943 2HD1 ILE 943 -3.467 16.854 -1.736 197 3HD1 ILE 943 3HD1 ILE 943 -4.846 16.966 -2.828 198 H GLN 944 H GLN 944 -9.066 16.443 0.385 199 HA GLN 944 HA GLN 944 -9.802 18.544 -1.230 200 1HB GLN 944 HB1 GLN 944 -11.504 16.853 0.586 201 2HB GLN 944 HB2 GLN 944 -12.181 18.023 -0.537 202 1HG GLN 944 HG1 GLN 944 -11.196 16.847 -2.407 203 2HG GLN 944 HG2 GLN 944 -10.434 15.699 -1.304 204 1HE2 GLN 944 2HE2 GLN 944 -11.491 13.959 -2.248 205 2HE2 GLN 944 1HE2 GLN 944 -13.180 13.668 -1.998 206 HA PRO 945 HA PRO 945 -11.209 21.340 2.225 207 1HB PRO 945 HB1 PRO 945 -11.625 20.382 4.772 208 2HB PRO 945 HB2 PRO 945 -12.844 20.427 3.499 209 1HG PRO 945 HG1 PRO 945 -11.599 18.131 4.692 210 2HG PRO 945 HG2 PRO 945 -12.865 18.176 3.456 211 1HD PRO 945 HD1 PRO 945 -9.964 17.763 3.159 212 2HD PRO 945 HD2 PRO 945 -11.284 17.339 2.051 213 H ALA 946 H ALA 946 -8.444 19.558 2.608 214 HA ALA 946 HA ALA 946 -7.550 20.766 5.095 215 1HB ALA 946 HB1 ALA 946 -7.128 18.400 4.696 216 2HB ALA 946 HB2 ALA 946 -6.139 18.816 3.296 217 3HB ALA 946 HB3 ALA 946 -5.631 19.305 4.911 218 HA PRO 947 HA PRO 947 -4.571 23.525 3.128 219 1HB PRO 947 HB1 PRO 947 -3.399 23.993 5.691 220 2HB PRO 947 HB2 PRO 947 -4.524 25.039 4.825 221 1HG PRO 947 HG1 PRO 947 -5.070 23.718 7.201 222 2HG PRO 947 HG2 PRO 947 -6.284 24.363 6.084 223 1HD PRO 947 HD1 PRO 947 -5.301 21.564 6.406 224 2HD PRO 947 HD2 PRO 947 -6.937 22.154 6.046 225 HA PRO 948 HA PRO 948 -0.720 21.232 2.873 226 1HB PRO 948 HB1 PRO 948 1.127 22.974 4.057 227 2HB PRO 948 HB2 PRO 948 0.688 22.931 2.348 228 1HG PRO 948 HG1 PRO 948 -0.315 24.711 4.524 229 2HG PRO 948 HG2 PRO 948 0.011 25.089 2.822 230 1HD PRO 948 HD1 PRO 948 -2.487 24.773 3.698 231 2HD PRO 948 HD2 PRO 948 -2.000 24.150 2.106 232 H GLU 949 H GLU 949 -1.398 22.778 5.931 233 HA GLU 949 HA GLU 949 0.293 21.350 7.608 234 1HB GLU 949 HB1 GLU 949 -2.455 22.468 8.139 235 2HB GLU 949 HB2 GLU 949 -1.341 21.921 9.387 236 1HG GLU 949 HG1 GLU 949 0.274 23.618 8.680 237 2HG GLU 949 HG2 GLU 949 -0.854 24.164 7.439 238 H GLU 950 H GLU 950 -2.840 20.458 6.230 239 HA GLU 950 HA GLU 950 -2.702 17.874 7.613 240 1HB GLU 950 HB1 GLU 950 -4.901 19.272 6.148 241 2HB GLU 950 HB2 GLU 950 -4.930 17.521 6.328 242 1HG GLU 950 HG1 GLU 950 -6.252 18.598 8.052 243 2HG GLU 950 HG2 GLU 950 -4.876 17.749 8.749 244 H TYR 951 H TYR 951 -1.514 19.176 4.848 245 HA TYR 951 HA TYR 951 -2.042 17.113 2.985 246 1HB TYR 951 HB1 TYR 951 0.162 19.152 3.187 247 2HB TYR 951 HB2 TYR 951 0.190 17.900 1.951 248 HD1 TYR 951 HD1 TYR 951 0.287 20.198 0.630 249 HD2 TYR 951 HD2 TYR 951 -3.163 18.676 2.596 250 HE1 TYR 951 HE1 TYR 951 -1.137 21.588 -0.809 251 HE2 TYR 951 HE2 TYR 951 -4.599 20.061 1.163 252 HH TYR 951 HH TYR 951 -4.376 22.182 -0.151 253 H VAL 952 H VAL 952 0.469 17.572 5.446 254 HA VAL 952 HA VAL 952 1.565 14.990 4.809 255 HB VAL 952 HB VAL 952 3.263 16.271 5.626 256 1HG1 VAL 952 1HG1 VAL 952 3.171 17.662 7.663 257 2HG1 VAL 952 2HG1 VAL 952 1.998 18.160 6.446 258 3HG1 VAL 952 3HG1 VAL 952 1.469 17.238 7.855 259 1HG2 VAL 952 1HG2 VAL 952 3.953 15.377 7.799 260 2HG2 VAL 952 2HG2 VAL 952 2.315 14.786 8.077 261 3HG2 VAL 952 3HG2 VAL 952 3.281 14.121 6.759 262 HA PRO 953 HA PRO 953 -1.034 13.620 8.810 263 1HB PRO 953 HB1 PRO 953 -3.249 15.498 8.146 264 2HB PRO 953 HB2 PRO 953 -2.811 14.788 9.710 265 1HG PRO 953 HG1 PRO 953 -2.144 17.286 9.194 266 2HG PRO 953 HG2 PRO 953 -0.972 16.205 9.977 267 1HD PRO 953 HD1 PRO 953 -1.090 17.137 7.138 268 2HD PRO 953 HD2 PRO 953 0.320 16.875 8.180 269 H MET 954 H MET 954 -2.256 14.743 5.667 270 HA MET 954 HA MET 954 -4.188 12.655 5.522 271 1HB MET 954 HB1 MET 954 -4.666 13.353 3.338 272 2HB MET 954 HB2 MET 954 -4.202 14.826 4.172 273 1HG MET 954 HG1 MET 954 -2.027 14.760 3.147 274 2HG MET 954 HG2 MET 954 -2.409 13.220 2.376 275 1HE MET 954 HE1 MET 954 -2.017 13.841 -0.077 276 2HE MET 954 HE2 MET 954 -2.489 15.383 -0.793 277 3HE MET 954 HE3 MET 954 -1.305 15.342 0.514 278 H VAL 955 H VAL 955 -0.899 13.074 4.257 279 HA VAL 955 HA VAL 955 -0.670 10.506 3.217 280 HB VAL 955 HB VAL 955 1.034 12.570 3.223 281 1HG1 VAL 955 1HG1 VAL 955 3.055 12.015 4.471 282 2HG1 VAL 955 2HG1 VAL 955 1.698 12.347 5.548 283 3HG1 VAL 955 3HG1 VAL 955 2.205 10.684 5.257 284 1HG2 VAL 955 1HG2 VAL 955 1.015 10.675 1.707 285 2HG2 VAL 955 2HG2 VAL 955 2.657 11.043 2.237 286 3HG2 VAL 955 3HG2 VAL 955 1.790 9.674 2.935 287 H LYS 956 H LYS 956 -0.615 11.625 6.502 288 HA LYS 956 HA LYS 956 0.520 9.393 7.776 289 1HB LYS 956 HB1 LYS 956 -0.047 11.349 9.066 290 2HB LYS 956 HB2 LYS 956 -1.742 11.206 8.615 291 1HG LYS 956 HG1 LYS 956 -1.596 8.907 9.809 292 2HG LYS 956 HG2 LYS 956 -0.175 9.615 10.586 293 1HD LYS 956 HD1 LYS 956 -1.484 11.453 11.416 294 2HD LYS 956 HD2 LYS 956 -2.895 10.908 10.511 295 1HE LYS 956 HE1 LYS 956 -2.813 8.790 11.850 296 2HE LYS 956 HE2 LYS 956 -1.576 9.551 12.850 297 1HZ LYS 956 HZ1 LYS 956 -3.684 9.840 13.891 298 2HZ LYS 956 HZ2 LYS 956 -3.196 11.350 13.299 299 3HZ LYS 956 HZ3 LYS 956 -4.376 10.459 12.471 300 H GLU 957 H GLU 957 -2.735 10.026 6.643 301 HA GLU 957 HA GLU 957 -4.019 7.717 7.431 302 1HB GLU 957 HB1 GLU 957 -4.494 8.986 4.737 303 2HB GLU 957 HB2 GLU 957 -5.661 8.184 5.776 304 1HG GLU 957 HG1 GLU 957 -4.302 10.783 6.454 305 2HG GLU 957 HG2 GLU 957 -5.875 10.659 5.675 306 H VAL 958 H VAL 958 -2.177 8.262 4.394 307 HA VAL 958 HA VAL 958 -2.403 5.535 3.575 308 HB VAL 958 HB VAL 958 -1.054 6.009 1.746 309 1HG1 VAL 958 1HG1 VAL 958 -1.759 8.153 0.887 310 2HG1 VAL 958 2HG1 VAL 958 -3.067 7.412 1.805 311 3HG1 VAL 958 3HG1 VAL 958 -2.130 8.717 2.517 312 1HG2 VAL 958 1HG2 VAL 958 0.952 6.696 2.932 313 2HG2 VAL 958 2HG2 VAL 958 0.586 7.821 1.625 314 3HG2 VAL 958 3HG2 VAL 958 0.224 8.261 3.294 315 H GLY 959 H GLY 959 -0.279 7.189 5.754 316 1HA GLY 959 HA1 GLY 959 1.861 5.310 5.693 317 2HA GLY 959 HA2 GLY 959 1.513 6.436 6.997 318 H LEU 960 H LEU 960 -0.916 5.708 7.854 319 HA LEU 960 HA LEU 960 -0.610 3.298 9.245 320 1HB LEU 960 HB1 LEU 960 -2.925 5.098 8.698 321 2HB LEU 960 HB2 LEU 960 -3.242 3.514 9.378 322 HG LEU 960 HG LEU 960 -3.139 5.139 11.152 323 1HD1 LEU 960 1HD1 LEU 960 -0.671 3.412 11.118 324 2HD1 LEU 960 2HD1 LEU 960 -1.402 4.146 12.546 325 3HD1 LEU 960 3HD1 LEU 960 -2.284 2.921 11.635 326 1HD2 LEU 960 1HD2 LEU 960 -1.137 6.426 11.636 327 2HD2 LEU 960 2HD2 LEU 960 -0.352 5.776 10.197 328 3HD2 LEU 960 3HD2 LEU 960 -1.763 6.822 10.036 329 H ALA 961 H ALA 961 -1.744 3.931 6.064 330 HA ALA 961 HA ALA 961 -3.270 1.633 5.584 331 1HB ALA 961 HB1 ALA 961 -3.216 3.526 4.046 332 2HB ALA 961 HB2 ALA 961 -1.545 3.144 3.627 333 3HB ALA 961 HB3 ALA 961 -2.839 2.016 3.217 334 H LEU 962 H LEU 962 0.186 2.164 4.673 335 HA LEU 962 HA LEU 962 0.573 -0.586 4.115 336 1HB LEU 962 HB1 LEU 962 2.035 0.862 3.038 337 2HB LEU 962 HB2 LEU 962 2.441 1.713 4.519 338 HG LEU 962 HG LEU 962 3.647 -0.355 5.286 339 1HD1 LEU 962 1HD1 LEU 962 3.223 -1.219 2.433 340 2HD1 LEU 962 2HD1 LEU 962 4.242 -2.027 3.624 341 3HD1 LEU 962 3HD1 LEU 962 2.494 -1.964 3.854 342 1HD2 LEU 962 1HD2 LEU 962 4.840 1.548 4.337 343 2HD2 LEU 962 2HD2 LEU 962 5.603 0.026 3.875 344 3HD2 LEU 962 3HD2 LEU 962 4.600 0.898 2.715 345 H ARG 963 H ARG 963 1.132 1.298 7.099 346 HA ARG 963 HA ARG 963 2.422 -0.693 8.544 347 1HB ARG 963 HB1 ARG 963 0.491 1.419 9.477 348 2HB ARG 963 HB2 ARG 963 1.420 0.400 10.567 349 1HG ARG 963 HG1 ARG 963 3.495 1.252 9.457 350 2HG ARG 963 HG2 ARG 963 2.475 2.410 8.598 351 1HD ARG 963 HD1 ARG 963 3.483 3.393 10.605 352 2HD ARG 963 HD2 ARG 963 1.723 3.343 10.708 353 HE ARG 963 HE ARG 963 2.902 1.031 11.881 354 1HH1 ARG 963 2HH1 ARG 963 2.285 4.426 12.458 355 2HH1 ARG 963 1HH1 ARG 963 2.182 4.257 14.182 356 1HH2 ARG 963 2HH2 ARG 963 2.780 0.790 14.145 357 2HH2 ARG 963 1HH2 ARG 963 2.502 2.184 15.148 358 H THR 964 H THR 964 -1.099 -0.053 8.627 359 HA THR 964 HA THR 964 -1.845 -2.385 9.955 360 HB THR 964 HB THR 964 -3.467 -1.076 7.760 361 HG1 THR 964 HG1 THR 964 -3.123 0.626 9.030 362 1HG2 THR 964 1HG2 THR 964 -5.378 -1.783 9.115 363 2HG2 THR 964 2HG2 THR 964 -4.389 -3.170 8.655 364 3HG2 THR 964 3HG2 THR 964 -4.284 -2.514 10.288 365 H LEU 965 H LEU 965 -1.135 -1.824 6.577 366 HA LEU 965 HA LEU 965 -1.840 -4.343 5.538 367 1HB LEU 965 HB1 LEU 965 -1.456 -2.372 4.164 368 2HB LEU 965 HB2 LEU 965 0.223 -2.328 4.654 369 HG LEU 965 HG LEU 965 -0.309 -3.186 2.323 370 1HD1 LEU 965 1HD1 LEU 965 1.867 -3.445 3.376 371 2HD1 LEU 965 2HD1 LEU 965 1.322 -4.925 4.166 372 3HD1 LEU 965 3HD1 LEU 965 1.457 -4.860 2.408 373 1HD2 LEU 965 1HD2 LEU 965 -1.168 -5.602 3.908 374 2HD2 LEU 965 2HD2 LEU 965 -2.193 -4.603 2.878 375 3HD2 LEU 965 3HD2 LEU 965 -0.898 -5.565 2.165 376 H LEU 966 H LEU 966 0.854 -3.224 7.346 377 HA LEU 966 HA LEU 966 2.717 -5.288 6.698 378 1HB LEU 966 HB1 LEU 966 2.843 -2.939 8.137 379 2HB LEU 966 HB2 LEU 966 2.992 -4.158 9.386 380 HG LEU 966 HG LEU 966 5.182 -3.405 8.617 381 1HD1 LEU 966 1HD1 LEU 966 4.981 -5.699 9.399 382 2HD1 LEU 966 2HD1 LEU 966 4.589 -6.234 7.766 383 3HD1 LEU 966 3HD1 LEU 966 6.186 -5.570 8.118 384 1HD2 LEU 966 1HD2 LEU 966 4.352 -4.470 5.922 385 2HD2 LEU 966 2HD2 LEU 966 4.576 -2.772 6.342 386 3HD2 LEU 966 3HD2 LEU 966 5.955 -3.871 6.351 387 H ALA 967 H ALA 967 0.111 -4.976 9.011 388 HA ALA 967 HA ALA 967 0.617 -7.347 10.480 389 1HB ALA 967 HB1 ALA 967 -2.043 -6.072 9.842 390 2HB ALA 967 HB2 ALA 967 -1.732 -7.251 11.117 391 3HB ALA 967 HB3 ALA 967 -1.002 -5.649 11.202 392 H THR 968 H THR 968 -1.283 -6.704 7.564 393 HA THR 968 HA THR 968 -2.043 -9.338 6.958 394 HB THR 968 HB THR 968 -1.530 -6.918 5.255 395 HG1 THR 968 HG1 THR 968 -3.956 -8.171 5.151 396 1HG2 THR 968 1HG2 THR 968 -2.396 -8.129 3.312 397 2HG2 THR 968 2HG2 THR 968 -0.886 -8.836 3.881 398 3HG2 THR 968 3HG2 THR 968 -2.420 -9.622 4.250 399 H VAL 969 H VAL 969 0.874 -7.533 6.142 400 HA VAL 969 HA VAL 969 2.258 -9.411 4.701 401 HB VAL 969 HB VAL 969 3.368 -7.475 6.743 402 1HG1 VAL 969 1HG1 VAL 969 4.981 -9.270 6.345 403 2HG1 VAL 969 2HG1 VAL 969 4.848 -9.006 4.606 404 3HG1 VAL 969 3HG1 VAL 969 5.530 -7.749 5.637 405 1HG2 VAL 969 1HG2 VAL 969 3.156 -7.323 3.739 406 2HG2 VAL 969 2HG2 VAL 969 2.174 -6.424 4.898 407 3HG2 VAL 969 3HG2 VAL 969 3.907 -6.117 4.784 408 H ASP 970 H ASP 970 1.635 -9.423 8.158 409 HA ASP 970 HA ASP 970 3.533 -11.498 8.732 410 1HB ASP 970 HB1 ASP 970 2.953 -10.008 10.517 411 2HB ASP 970 HB2 ASP 970 1.239 -10.343 10.314 412 H GLU 971 H GLU 971 0.251 -11.447 7.707 413 HA GLU 971 HA GLU 971 -0.200 -14.267 8.078 414 1HB GLU 971 HB1 GLU 971 -1.414 -12.295 6.128 415 2HB GLU 971 HB2 GLU 971 -1.974 -13.950 6.337 416 1HG GLU 971 HG1 GLU 971 -1.823 -12.038 8.627 417 2HG GLU 971 HG2 GLU 971 -3.229 -12.098 7.550 418 H SER 972 H SER 972 0.715 -12.261 5.360 419 HA SER 972 HA SER 972 1.264 -14.340 3.552 420 1HB SER 972 HB1 SER 972 0.760 -12.023 2.879 421 2HB SER 972 HB2 SER 972 2.310 -11.501 3.563 422 HG SER 972 HG SER 972 3.256 -13.102 2.059 423 H LEU 973 H LEU 973 3.100 -13.006 6.155 424 HA LEU 973 HA LEU 973 5.690 -13.508 5.182 425 1HB LEU 973 HB1 LEU 973 5.120 -12.029 7.117 426 2HB LEU 973 HB2 LEU 973 4.839 -13.467 8.080 427 HG LEU 973 HG LEU 973 7.209 -14.125 7.728 428 1HD1 LEU 973 1HD1 LEU 973 7.591 -12.950 5.621 429 2HD1 LEU 973 2HD1 LEU 973 7.429 -11.401 6.450 430 3HD1 LEU 973 3HD1 LEU 973 8.775 -12.473 6.838 431 1HD2 LEU 973 1HD2 LEU 973 6.535 -12.921 9.742 432 2HD2 LEU 973 2HD2 LEU 973 8.160 -12.452 9.239 433 3HD2 LEU 973 3HD2 LEU 973 6.793 -11.384 8.917 434 HA PRO 974 HA PRO 974 5.493 -17.883 7.349 435 1HB PRO 974 HB1 PRO 974 2.541 -18.258 7.287 436 2HB PRO 974 HB2 PRO 974 3.723 -18.843 8.464 437 1HG PRO 974 HG1 PRO 974 2.120 -16.808 9.061 438 2HG PRO 974 HG2 PRO 974 3.820 -16.807 9.578 439 1HD PRO 974 HD1 PRO 974 2.519 -15.348 7.311 440 2HD PRO 974 HD2 PRO 974 3.767 -14.789 8.441 441 H VAL 975 H VAL 975 3.178 -16.552 5.075 442 HA VAL 975 HA VAL 975 3.288 -18.818 3.280 443 HB VAL 975 HB VAL 975 2.483 -15.987 2.617 444 1HG1 VAL 975 1HG1 VAL 975 1.884 -18.624 1.286 445 2HG1 VAL 975 2HG1 VAL 975 1.206 -17.065 0.819 446 3HG1 VAL 975 3HG1 VAL 975 2.939 -17.355 0.665 447 1HG2 VAL 975 1HG2 VAL 975 1.158 -16.827 4.484 448 2HG2 VAL 975 2HG2 VAL 975 0.183 -16.737 3.018 449 3HG2 VAL 975 3HG2 VAL 975 0.791 -18.294 3.577 450 H LEU 976 H LEU 976 5.371 -16.187 3.933 451 HA LEU 976 HA LEU 976 6.705 -16.019 1.469 452 1HB LEU 976 HB1 LEU 976 7.137 -14.224 2.814 453 2HB LEU 976 HB2 LEU 976 7.395 -15.199 4.250 454 HG LEU 976 HG LEU 976 9.430 -15.590 2.167 455 1HD1 LEU 976 1HD1 LEU 976 8.948 -13.211 1.811 456 2HD1 LEU 976 2HD1 LEU 976 9.178 -12.912 3.535 457 3HD1 LEU 976 3HD1 LEU 976 10.533 -13.452 2.545 458 1HD2 LEU 976 1HD2 LEU 976 10.919 -15.298 4.107 459 2HD2 LEU 976 2HD2 LEU 976 9.525 -14.876 5.100 460 3HD2 LEU 976 3HD2 LEU 976 9.661 -16.496 4.415 461 HA PRO 977 HA PRO 977 9.847 -19.369 3.011 462 1HB PRO 977 HB1 PRO 977 8.270 -20.792 5.072 463 2HB PRO 977 HB2 PRO 977 9.989 -20.382 5.058 464 1HG PRO 977 HG1 PRO 977 8.272 -19.102 6.653 465 2HG PRO 977 HG2 PRO 977 9.626 -18.257 5.878 466 1HD PRO 977 HD1 PRO 977 6.730 -18.286 5.125 467 2HD PRO 977 HD2 PRO 977 7.876 -16.931 5.131 468 H ALA 978 H ALA 978 6.384 -19.696 3.128 469 HA ALA 978 HA ALA 978 6.189 -22.263 1.973 470 1HB ALA 978 HB1 ALA 978 4.353 -21.212 3.181 471 2HB ALA 978 HB2 ALA 978 4.222 -19.977 1.928 472 3HB ALA 978 HB3 ALA 978 3.859 -21.661 1.547 473 H SER 979 H SER 979 5.681 -19.046 0.441 474 HA SER 979 HA SER 979 6.809 -19.922 -2.046 475 1HB SER 979 HB1 SER 979 3.837 -19.905 -1.640 476 2HB SER 979 HB2 SER 979 4.516 -19.567 -3.241 477 HG SER 979 HG SER 979 5.500 -21.795 -1.877 478 H THR 980 H THR 980 4.536 -17.560 -0.634 479 HA THR 980 HA THR 980 4.581 -15.653 -2.633 480 HB THR 980 HB THR 980 3.056 -15.703 -0.613 481 HG1 THR 980 HG1 THR 980 3.047 -13.265 -0.642 482 1HG2 THR 980 1HG2 THR 980 5.309 -14.081 0.575 483 2HG2 THR 980 2HG2 THR 980 3.709 -14.310 1.281 484 3HG2 THR 980 3HG2 THR 980 4.803 -15.683 1.113 485 H HIS 981 H HIS 981 7.197 -16.335 -0.553 486 HA HIS 981 HA HIS 981 8.365 -13.961 0.035 487 1HB HIS 981 HB1 HIS 981 10.544 -15.081 -0.019 488 2HB HIS 981 HB2 HIS 981 9.319 -16.097 0.725 489 HD1 HIS 981 HD1 HIS 981 9.198 -18.420 -0.113 490 HD2 HIS 981 HD2 HIS 981 11.105 -15.912 -2.818 491 HE1 HIS 981 HE1 HIS 981 10.011 -19.914 -1.959 492 HE2 HIS 981 HE2 HIS 981 10.966 -18.351 -3.684 493 H ARG 982 H ARG 982 7.958 -15.148 -3.191 494 HA ARG 982 HA ARG 982 10.160 -13.596 -4.245 495 1HB ARG 982 HB1 ARG 982 9.267 -15.669 -5.369 496 2HB ARG 982 HB2 ARG 982 7.853 -14.727 -5.833 497 1HG ARG 982 HG1 ARG 982 9.402 -14.782 -7.670 498 2HG ARG 982 HG2 ARG 982 9.353 -13.144 -7.012 499 1HD ARG 982 HD1 ARG 982 11.360 -13.840 -5.600 500 2HD ARG 982 HD2 ARG 982 11.478 -15.239 -6.662 501 HE ARG 982 HE ARG 982 11.487 -12.567 -7.864 502 1HH1 ARG 982 2HH1 ARG 982 13.155 -15.551 -7.118 503 2HH1 ARG 982 1HH1 ARG 982 14.591 -15.132 -8.011 504 1HH2 ARG 982 2HH2 ARG 982 13.339 -11.998 -9.042 505 2HH2 ARG 982 1HH2 ARG 982 14.691 -13.096 -9.126 506 H GLU 983 H GLU 983 6.580 -13.305 -4.427 507 HA GLU 983 HA GLU 983 6.791 -10.667 -5.518 508 1HB GLU 983 HB1 GLU 983 4.662 -12.481 -5.210 509 2HB GLU 983 HB2 GLU 983 4.240 -11.066 -4.285 510 1HG GLU 983 HG1 GLU 983 3.387 -10.675 -6.406 511 2HG GLU 983 HG2 GLU 983 4.838 -9.688 -6.276 512 H ILE 984 H ILE 984 6.217 -11.959 -2.291 513 HA ILE 984 HA ILE 984 5.389 -9.510 -1.173 514 HB ILE 984 HB ILE 984 5.060 -11.741 -0.090 515 1HG1 ILE 984 1HG1 ILE 984 6.401 -9.591 1.575 516 2HG1 ILE 984 2HG1 ILE 984 4.696 -9.654 1.142 517 1HG2 ILE 984 1HG2 ILE 984 7.313 -12.625 -0.402 518 2HG2 ILE 984 2HG2 ILE 984 7.959 -11.401 0.691 519 3HG2 ILE 984 3HG2 ILE 984 6.860 -12.638 1.301 520 1HD1 ILE 984 1HD1 ILE 984 6.170 -11.593 2.907 521 2HD1 ILE 984 2HD1 ILE 984 5.004 -10.370 3.417 522 3HD1 ILE 984 3HD1 ILE 984 4.476 -11.735 2.432 523 H GLU 985 H GLU 985 8.551 -10.791 -1.920 524 HA GLU 985 HA GLU 985 9.939 -8.727 -0.522 525 1HB GLU 985 HB1 GLU 985 10.759 -10.685 -2.634 526 2HB GLU 985 HB2 GLU 985 11.815 -9.342 -2.214 527 1HG GLU 985 HG1 GLU 985 11.552 -10.128 0.202 528 2HG GLU 985 HG2 GLU 985 10.902 -11.615 -0.488 529 H MET 986 H MET 986 8.642 -9.024 -3.833 530 HA MET 986 HA MET 986 10.105 -6.745 -4.712 531 1HB MET 986 HB1 MET 986 8.930 -6.857 -6.790 532 2HB MET 986 HB2 MET 986 9.404 -8.470 -6.296 533 1HG MET 986 HG1 MET 986 7.178 -9.028 -5.696 534 2HG MET 986 HG2 MET 986 6.649 -7.355 -5.878 535 1HE MET 986 HE1 MET 986 8.064 -9.943 -9.424 536 2HE MET 986 HE2 MET 986 9.171 -9.122 -8.325 537 3HE MET 986 HE3 MET 986 8.163 -10.445 -7.736 538 H ALA 987 H ALA 987 6.693 -7.139 -3.808 539 HA ALA 987 HA ALA 987 6.125 -4.396 -4.380 540 1HB ALA 987 HB1 ALA 987 3.890 -4.875 -3.833 541 2HB ALA 987 HB2 ALA 987 4.509 -6.294 -4.679 542 3HB ALA 987 HB3 ALA 987 4.346 -6.317 -2.927 543 H GLN 988 H GLN 988 6.599 -6.349 -1.447 544 HA GLN 988 HA GLN 988 5.687 -4.398 0.345 545 1HB GLN 988 HB1 GLN 988 5.985 -6.641 1.126 546 2HB GLN 988 HB2 GLN 988 7.696 -6.615 0.724 547 1HG GLN 988 HG1 GLN 988 7.992 -4.835 2.443 548 2HG GLN 988 HG2 GLN 988 6.311 -5.089 2.913 549 1HE2 GLN 988 2HE2 GLN 988 8.332 -7.704 1.837 550 2HE2 GLN 988 1HE2 GLN 988 8.497 -8.478 3.374 551 H LYS 989 H LYS 989 8.970 -5.037 -0.886 552 HA LYS 989 HA LYS 989 10.206 -2.924 0.586 553 1HB LYS 989 HB1 LYS 989 11.127 -4.203 -2.001 554 2HB LYS 989 HB2 LYS 989 12.112 -3.239 -0.912 555 1HG LYS 989 HG1 LYS 989 11.909 -4.932 0.812 556 2HG LYS 989 HG2 LYS 989 10.866 -5.894 -0.236 557 1HD LYS 989 HD1 LYS 989 12.747 -5.949 -1.897 558 2HD LYS 989 HD2 LYS 989 13.768 -5.210 -0.662 559 1HE LYS 989 HE1 LYS 989 13.410 -7.100 0.808 560 2HE LYS 989 HE2 LYS 989 12.292 -7.820 -0.349 561 1HZ LYS 989 HZ1 LYS 989 15.215 -7.429 -0.666 562 2HZ LYS 989 HZ2 LYS 989 14.358 -8.896 -0.629 563 3HZ LYS 989 HZ3 LYS 989 14.194 -7.852 -1.954 564 H LEU 990 H LEU 990 8.424 -3.205 -2.310 565 HA LEU 990 HA LEU 990 9.176 -0.747 -3.533 566 1HB LEU 990 HB1 LEU 990 8.390 -2.357 -4.995 567 2HB LEU 990 HB2 LEU 990 7.129 -2.886 -3.909 568 HG LEU 990 HG LEU 990 5.817 -0.920 -4.466 569 1HD1 LEU 990 1HD1 LEU 990 6.509 0.513 -6.351 570 2HD1 LEU 990 2HD1 LEU 990 7.638 0.634 -5.001 571 3HD1 LEU 990 3HD1 LEU 990 8.054 -0.333 -6.418 572 1HD2 LEU 990 1HD2 LEU 990 5.258 -1.564 -6.756 573 2HD2 LEU 990 2HD2 LEU 990 6.758 -2.486 -6.854 574 3HD2 LEU 990 3HD2 LEU 990 5.500 -2.970 -5.717 575 H LEU 991 H LEU 991 6.607 -1.821 -1.382 576 HA LEU 991 HA LEU 991 5.054 0.510 -1.272 577 1HB LEU 991 HB1 LEU 991 5.637 -1.465 0.935 578 2HB LEU 991 HB2 LEU 991 4.308 -0.322 0.915 579 HG LEU 991 HG LEU 991 4.525 -2.277 -1.319 580 1HD1 LEU 991 1HD1 LEU 991 3.487 -2.910 1.450 581 2HD1 LEU 991 2HD1 LEU 991 3.263 -3.920 0.022 582 3HD1 LEU 991 3HD1 LEU 991 4.884 -3.648 0.664 583 1HD2 LEU 991 1HD2 LEU 991 2.789 -0.471 -1.210 584 2HD2 LEU 991 2HD2 LEU 991 2.128 -2.103 -1.288 585 3HD2 LEU 991 3HD2 LEU 991 2.159 -1.234 0.247 586 H ASN 992 H ASN 992 7.718 -0.577 0.819 587 HA ASN 992 HA ASN 992 7.594 1.531 2.635 588 1HB ASN 992 HB1 ASN 992 8.841 -0.583 2.993 589 2HB ASN 992 HB2 ASN 992 10.035 -0.054 1.813 590 1HD2 ASN 992 2HD2 ASN 992 11.698 -0.104 3.300 591 2HD2 ASN 992 1HD2 ASN 992 11.852 1.083 4.551 592 H SER 993 H SER 993 9.230 1.244 -0.453 593 HA SER 993 HA SER 993 10.843 3.550 -0.095 594 1HB SER 993 HB1 SER 993 11.108 3.284 -2.655 595 2HB SER 993 HB2 SER 993 11.740 2.026 -1.596 596 HG SER 993 HG SER 993 9.112 1.823 -2.587 597 H ASP 994 H ASP 994 7.604 3.076 -1.541 598 HA ASP 994 HA ASP 994 7.802 5.885 -2.413 599 1HB ASP 994 HB1 ASP 994 6.355 3.571 -3.600 600 2HB ASP 994 HB2 ASP 994 5.723 5.197 -3.852 601 H LEU 995 H LEU 995 5.712 3.674 -0.584 602 HA LEU 995 HA LEU 995 3.739 5.550 0.066 603 1HB LEU 995 HB1 LEU 995 3.739 3.087 0.701 604 2HB LEU 995 HB2 LEU 995 4.844 3.503 1.994 605 HG LEU 995 HG LEU 995 2.534 5.202 2.130 606 1HD1 LEU 995 1HD1 LEU 995 1.975 2.244 2.127 607 2HD1 LEU 995 2HD1 LEU 995 0.850 3.512 2.612 608 3HD1 LEU 995 3HD1 LEU 995 1.394 3.408 0.936 609 1HD2 LEU 995 1HD2 LEU 995 2.402 4.221 4.378 610 2HD2 LEU 995 2HD2 LEU 995 3.642 3.053 3.926 611 3HD2 LEU 995 3HD2 LEU 995 4.028 4.774 3.980 612 H ALA 996 H ALA 996 6.834 4.843 1.584 613 HA ALA 996 HA ALA 996 6.747 6.964 3.469 614 1HB ALA 996 HB1 ALA 996 8.326 5.116 3.712 615 2HB ALA 996 HB2 ALA 996 9.195 5.664 2.278 616 3HB ALA 996 HB3 ALA 996 9.154 6.672 3.726 617 H GLU 997 H GLU 997 8.205 6.793 0.218 618 HA GLU 997 HA GLU 997 9.115 9.360 -0.006 619 1HB GLU 997 HB1 GLU 997 9.524 7.910 -1.825 620 2HB GLU 997 HB2 GLU 997 7.816 7.571 -2.052 621 1HG GLU 997 HG1 GLU 997 8.446 8.954 -3.842 622 2HG GLU 997 HG2 GLU 997 7.542 9.981 -2.736 623 H LEU 998 H LEU 998 5.733 8.284 -0.372 624 HA LEU 998 HA LEU 998 4.825 10.880 -1.096 625 1HB LEU 998 HB1 LEU 998 3.512 8.826 -1.530 626 2HB LEU 998 HB2 LEU 998 3.247 8.653 0.197 627 HG LEU 998 HG LEU 998 2.002 10.762 0.239 628 1HD1 LEU 998 1HD1 LEU 998 3.137 11.942 -1.544 629 2HD1 LEU 998 2HD1 LEU 998 2.488 10.813 -2.734 630 3HD1 LEU 998 3HD1 LEU 998 1.402 11.885 -1.852 631 1HD2 LEU 998 1HD2 LEU 998 0.042 10.037 -1.032 632 2HD2 LEU 998 2HD2 LEU 998 1.034 8.854 -1.887 633 3HD2 LEU 998 3HD2 LEU 998 0.775 8.697 -0.149 634 H ILE 999 H ILE 999 5.198 9.208 1.991 635 HA ILE 999 HA ILE 999 3.888 11.031 3.647 636 HB ILE 999 HB ILE 999 6.310 9.329 4.266 637 1HG1 ILE 999 1HG1 ILE 999 3.365 8.874 4.798 638 2HG1 ILE 999 2HG1 ILE 999 4.310 8.076 3.544 639 1HG2 ILE 999 1HG2 ILE 999 5.669 9.600 6.627 640 2HG2 ILE 999 2HG2 ILE 999 6.135 11.128 5.880 641 3HG2 ILE 999 3HG2 ILE 999 4.431 10.759 6.142 642 1HD1 ILE 999 1HD1 ILE 999 4.781 7.837 6.507 643 2HD1 ILE 999 2HD1 ILE 999 3.974 6.644 5.487 644 3HD1 ILE 999 3HD1 ILE 999 5.682 7.007 5.237 645 H ASN1000 H ASN1000 7.288 10.879 2.728 646 HA ASN1000 HA ASN1000 7.940 13.378 4.035 647 1HB ASN1000 HB1 ASN1000 10.075 12.657 3.768 648 2HB ASN1000 HB2 ASN1000 9.346 11.140 3.249 649 1HD2 ASN1000 2HD2 ASN1000 8.838 10.998 0.912 650 2HD2 ASN1000 1HD2 ASN1000 10.022 11.624 -0.190 651 H LYS1001 H LYS1001 6.519 12.542 1.112 652 HA LYS1001 HA LYS1001 7.544 14.825 -0.356 653 1HB LYS1001 HB1 LYS1001 6.485 12.420 -1.182 654 2HB LYS1001 HB2 LYS1001 5.152 13.537 -1.449 655 1HG LYS1001 HG1 LYS1001 6.662 13.225 -3.414 656 2HG LYS1001 HG2 LYS1001 6.480 14.900 -2.885 657 1HD LYS1001 HD1 LYS1001 8.595 14.752 -1.670 658 2HD LYS1001 HD2 LYS1001 8.777 13.075 -2.180 659 1HE LYS1001 HE1 LYS1001 8.528 15.354 -4.125 660 2HE LYS1001 HE2 LYS1001 10.079 14.809 -3.488 661 1HZ LYS1001 HZ1 LYS1001 9.665 13.768 -5.587 662 2HZ LYS1001 HZ2 LYS1001 9.568 12.583 -4.374 663 3HZ LYS1001 HZ3 LYS1001 8.154 13.194 -5.075 664 H MET1002 H MET1002 4.694 13.852 1.442 665 HA MET1002 HA MET1002 3.282 16.288 0.903 666 1HB MET1002 HB1 MET1002 2.860 14.230 3.072 667 2HB MET1002 HB2 MET1002 1.718 15.482 2.593 668 1HG MET1002 HG1 MET1002 2.593 13.057 1.074 669 2HG MET1002 HG2 MET1002 0.961 13.516 1.577 670 1HE MET1002 HE1 MET1002 0.620 16.808 -0.759 671 2HE MET1002 HE2 MET1002 -0.071 15.992 0.644 672 3HE MET1002 HE3 MET1002 1.500 16.783 0.767 673 H LYS1003 H LYS1003 5.190 14.883 3.486 674 HA LYS1003 HA LYS1003 5.330 17.048 5.208 675 1HB LYS1003 HB1 LYS1003 6.307 14.865 5.736 676 2HB LYS1003 HB2 LYS1003 7.482 15.054 4.441 677 1HG LYS1003 HG1 LYS1003 8.580 16.825 5.596 678 2HG LYS1003 HG2 LYS1003 7.306 16.897 6.813 679 1HD LYS1003 HD1 LYS1003 7.898 14.575 7.479 680 2HD LYS1003 HD2 LYS1003 9.253 14.642 6.350 681 1HE LYS1003 HE1 LYS1003 10.230 16.482 7.570 682 2HE LYS1003 HE2 LYS1003 8.834 16.547 8.646 683 1HZ LYS1003 HZ1 LYS1003 9.391 14.272 9.360 684 2HZ LYS1003 HZ2 LYS1003 10.799 14.334 8.420 685 3HZ LYS1003 HZ3 LYS1003 10.607 15.394 9.729 686 H LEU1004 H LEU1004 7.485 16.233 2.489 687 HA LEU1004 HA LEU1004 8.910 18.565 2.274 688 1HB LEU1004 HB1 LEU1004 9.104 16.368 0.987 689 2HB LEU1004 HB2 LEU1004 7.931 17.052 -0.118 690 HG LEU1004 HG LEU1004 9.482 18.928 -0.573 691 1HD1 LEU1004 1HD1 LEU1004 10.722 18.951 1.499 692 2HD1 LEU1004 2HD1 LEU1004 11.360 17.340 1.170 693 3HD1 LEU1004 3HD1 LEU1004 11.829 18.701 0.149 694 1HD2 LEU1004 1HD2 LEU1004 9.435 16.974 -2.035 695 2HD2 LEU1004 2HD2 LEU1004 11.061 17.646 -1.916 696 3HD2 LEU1004 3HD2 LEU1004 10.647 16.182 -1.025 697 H ALA1005 H ALA1005 5.778 17.889 0.668 698 HA ALA1005 HA ALA1005 5.608 20.328 -0.709 699 1HB ALA1005 HB1 ALA1005 3.190 19.899 -0.829 700 2HB ALA1005 HB2 ALA1005 4.134 18.460 -1.217 701 3HB ALA1005 HB3 ALA1005 3.366 18.614 0.364 702 H GLN1006 H GLN1006 4.448 19.397 2.483 703 HA GLN1006 HA GLN1006 3.519 22.033 3.120 704 1HB GLN1006 HB1 GLN1006 2.678 21.060 5.024 705 2HB GLN1006 HB2 GLN1006 2.837 19.634 4.007 706 1HG GLN1006 HG1 GLN1006 3.692 18.880 5.971 707 2HG GLN1006 HG2 GLN1006 5.160 19.410 5.154 708 1HE2 GLN1006 2HE2 GLN1006 6.191 19.603 7.141 709 2HE2 GLN1006 1HE2 GLN1006 5.899 20.943 8.192 710 H GLN1007 H GLN1007 6.497 20.583 2.885 711 HA GLN1007 HA GLN1007 7.852 22.075 4.955 712 1HB GLN1007 HB1 GLN1007 8.362 19.651 4.024 713 2HB GLN1007 HB2 GLN1007 9.241 20.547 2.792 714 1HG GLN1007 HG1 GLN1007 10.690 19.773 4.583 715 2HG GLN1007 HG2 GLN1007 10.668 21.537 4.471 716 1HE2 GLN1007 2HE2 GLN1007 8.050 19.691 5.851 717 2HE2 GLN1007 1HE2 GLN1007 8.304 20.198 7.490 718 H TYR1008 H TYR1008 6.918 22.492 1.749 719 HA TYR1008 HA TYR1008 8.794 24.731 1.383 720 1HB TYR1008 HB1 TYR1008 9.523 22.862 0.017 721 2HB TYR1008 HB2 TYR1008 7.906 22.651 -0.633 722 HD1 TYR1008 HD1 TYR1008 10.515 25.342 -0.419 723 HD2 TYR1008 HD2 TYR1008 7.547 23.393 -2.768 724 HE1 TYR1008 HE1 TYR1008 11.120 26.751 -2.342 725 HE2 TYR1008 HE2 TYR1008 8.146 24.799 -4.699 726 HH TYR1008 HH TYR1008 9.201 26.998 -5.118 727 H VAL1009 H VAL1009 5.790 24.107 2.095 728 HA VAL1009 HA VAL1009 4.106 25.175 0.209 729 HB VAL1009 HB VAL1009 3.160 24.183 2.162 730 1HG1 VAL1009 1HG1 VAL1009 3.272 25.222 4.383 731 2HG1 VAL1009 2HG1 VAL1009 4.866 24.746 3.795 732 3HG1 VAL1009 3HG1 VAL1009 4.379 26.440 3.748 733 1HG2 VAL1009 1HG2 VAL1009 1.503 25.881 2.821 734 2HG2 VAL1009 2HG2 VAL1009 2.505 27.129 2.082 735 3HG2 VAL1009 3HG2 VAL1009 1.787 25.867 1.081 736 H MET1010 H MET1010 4.359 26.942 -0.894 737 HA MET1010 HA MET1010 4.483 29.488 0.486 738 1HB MET1010 HB1 MET1010 6.310 30.354 -0.897 739 2HB MET1010 HB2 MET1010 6.851 28.986 0.066 740 1HG MET1010 HG1 MET1010 6.693 27.531 -1.862 741 2HG MET1010 HG2 MET1010 6.066 28.858 -2.838 742 1HE MET1010 HE1 MET1010 7.870 31.275 -1.743 743 2HE MET1010 HE2 MET1010 9.188 31.272 -2.914 744 3HE MET1010 HE3 MET1010 7.525 31.043 -3.456 745 H THR1011 H THR1011 4.270 31.296 -1.217 746 HA THR1011 HA THR1011 1.807 30.940 -2.461 747 HB THR1011 HB THR1011 3.819 33.074 -3.168 748 HG1 THR1011 HG1 THR1011 2.768 34.209 -1.369 749 1HG2 THR1011 1HG2 THR1011 1.820 34.450 -3.508 750 2HG2 THR1011 2HG2 THR1011 1.789 33.023 -4.545 751 3HG2 THR1011 3HG2 THR1011 0.798 33.074 -3.086 752 H SER1012 H SER1012 1.396 29.680 -4.132 753 HA SER1012 HA SER1012 1.194 29.112 -6.312 754 1HB SER1012 HB1 SER1012 3.429 31.066 -6.876 755 2HB SER1012 HB2 SER1012 2.331 30.359 -8.061 756 HG SER1012 HG SER1012 0.598 31.378 -6.873 757 H LEU1013 H LEU1013 4.455 29.137 -4.993 758 HA LEU1013 HA LEU1013 5.387 27.176 -6.898 759 1HB LEU1013 HB1 LEU1013 6.615 28.557 -4.545 760 2HB LEU1013 HB2 LEU1013 7.372 27.116 -5.193 761 HG LEU1013 HG LEU1013 8.451 29.054 -6.112 762 1HD1 LEU1013 1HD1 LEU1013 6.679 27.779 -8.185 763 2HD1 LEU1013 2HD1 LEU1013 8.188 28.639 -8.492 764 3HD1 LEU1013 3HD1 LEU1013 8.203 27.128 -7.582 765 1HD2 LEU1013 1HD2 LEU1013 5.728 29.900 -7.083 766 2HD2 LEU1013 2HD2 LEU1013 6.683 30.683 -5.823 767 3HD2 LEU1013 3HD2 LEU1013 7.255 30.683 -7.491 768 H GLN1014 H GLN1014 3.517 27.003 -4.148 769 HA GLN1014 HA GLN1014 4.525 24.672 -2.907 770 1HB GLN1014 HB1 GLN1014 2.776 26.354 -2.031 771 2HB GLN1014 HB2 GLN1014 1.610 25.442 -2.977 772 1HG GLN1014 HG1 GLN1014 3.315 23.906 -1.112 773 2HG GLN1014 HG2 GLN1014 2.091 24.962 -0.409 774 1HE2 GLN1014 2HE2 GLN1014 2.674 22.121 -2.311 775 2HE2 GLN1014 1HE2 GLN1014 1.048 21.542 -2.294 776 H GLN1015 H GLN1015 2.350 25.221 -5.595 777 HA GLN1015 HA GLN1015 1.315 22.620 -5.819 778 1HB GLN1015 HB1 GLN1015 0.627 23.204 -8.059 779 2HB GLN1015 HB2 GLN1015 0.315 24.542 -6.966 780 1HG GLN1015 HG1 GLN1015 2.270 25.707 -7.789 781 2HG GLN1015 HG2 GLN1015 2.662 24.345 -8.840 782 1HE2 GLN1015 2HE2 GLN1015 1.380 23.946 -10.646 783 2HE2 GLN1015 1HE2 GLN1015 0.314 25.139 -11.304 784 H GLU1016 H GLU1016 4.262 24.039 -7.208 785 HA GLU1016 HA GLU1016 5.196 21.986 -8.707 786 1HB GLU1016 HB1 GLU1016 6.519 23.981 -8.416 787 2HB GLU1016 HB2 GLU1016 6.793 23.603 -6.718 788 1HG GLU1016 HG1 GLU1016 8.171 21.759 -7.255 789 2HG GLU1016 HG2 GLU1016 7.684 21.806 -8.944 790 H TYR1017 H TYR1017 5.262 22.073 -5.159 791 HA TYR1017 HA TYR1017 6.420 19.417 -5.082 792 1HB TYR1017 HB1 TYR1017 5.687 21.445 -2.996 793 2HB TYR1017 HB2 TYR1017 5.908 19.763 -2.531 794 HD1 TYR1017 HD1 TYR1017 7.810 20.372 -1.074 795 HD2 TYR1017 HD2 TYR1017 7.880 21.128 -5.277 796 HE1 TYR1017 HE1 TYR1017 10.247 20.683 -0.993 797 HE2 TYR1017 HE2 TYR1017 10.311 21.448 -5.182 798 HH TYR1017 HH TYR1017 12.182 20.545 -2.511 799 H LYS1018 H LYS1018 3.342 20.879 -5.116 800 HA LYS1018 HA LYS1018 1.870 18.711 -3.984 801 1HB LYS1018 HB1 LYS1018 0.965 20.969 -3.994 802 2HB LYS1018 HB2 LYS1018 1.000 21.004 -5.750 803 1HG LYS1018 HG1 LYS1018 -0.693 19.278 -5.854 804 2HG LYS1018 HG2 LYS1018 -0.692 19.145 -4.093 805 1HD LYS1018 HD1 LYS1018 -1.534 21.376 -3.865 806 2HD LYS1018 HD2 LYS1018 -1.347 21.675 -5.593 807 1HE LYS1018 HE1 LYS1018 -3.212 19.651 -4.358 808 2HE LYS1018 HE2 LYS1018 -3.684 21.236 -4.972 809 1HZ LYS1018 HZ1 LYS1018 -4.144 19.614 -6.635 810 2HZ LYS1018 HZ2 LYS1018 -2.818 20.529 -7.166 811 3HZ LYS1018 HZ3 LYS1018 -2.575 18.968 -6.542 812 H LYS1019 H LYS1019 2.910 19.541 -7.266 813 HA LYS1019 HA LYS1019 1.373 17.420 -8.447 814 1HB LYS1019 HB1 LYS1019 2.641 17.865 -10.503 815 2HB LYS1019 HB2 LYS1019 1.965 19.334 -9.819 816 1HG LYS1019 HG1 LYS1019 4.184 19.857 -8.860 817 2HG LYS1019 HG2 LYS1019 4.831 18.429 -9.673 818 1HD LYS1019 HD1 LYS1019 3.473 20.737 -11.061 819 2HD LYS1019 HD2 LYS1019 5.220 20.534 -10.927 820 1HE LYS1019 HE1 LYS1019 3.360 18.546 -12.226 821 2HE LYS1019 HE2 LYS1019 4.273 19.775 -13.098 822 1HZ LYS1019 HZ1 LYS1019 5.493 17.770 -13.222 823 2HZ LYS1019 HZ2 LYS1019 6.316 18.754 -12.111 824 3HZ LYS1019 HZ3 LYS1019 5.350 17.475 -11.557 825 H GLN1020 H GLN1020 4.828 17.835 -7.651 826 HA GLN1020 HA GLN1020 5.762 15.302 -7.904 827 1HB GLN1020 HB1 GLN1020 6.138 17.133 -5.529 828 2HB GLN1020 HB2 GLN1020 7.087 15.679 -5.811 829 1HG GLN1020 HG1 GLN1020 7.932 16.599 -7.885 830 2HG GLN1020 HG2 GLN1020 6.936 18.038 -7.670 831 1HE2 GLN1020 2HE2 GLN1020 8.713 19.396 -7.689 832 2HE2 GLN1020 1HE2 GLN1020 9.816 19.492 -6.364 833 H MET1021 H MET1021 3.637 16.456 -5.310 834 HA MET1021 HA MET1021 3.340 14.093 -3.879 835 1HB MET1021 HB1 MET1021 2.363 15.939 -2.874 836 2HB MET1021 HB2 MET1021 1.578 16.461 -4.355 837 1HG MET1021 HG1 MET1021 0.715 13.896 -3.125 838 2HG MET1021 HG2 MET1021 0.222 15.402 -2.360 839 1HE MET1021 HE1 MET1021 -2.306 14.564 -2.699 840 2HE MET1021 HE2 MET1021 -3.004 14.172 -4.271 841 3HE MET1021 HE3 MET1021 -1.774 13.122 -3.566 842 H LEU1022 H LEU1022 1.546 15.217 -6.720 843 HA LEU1022 HA LEU1022 -0.274 13.080 -6.828 844 1HB LEU1022 HB1 LEU1022 -0.462 15.266 -8.038 845 2HB LEU1022 HB2 LEU1022 0.775 14.705 -9.145 846 HG LEU1022 HG LEU1022 -0.718 12.843 -9.824 847 1HD1 LEU1022 1HD1 LEU1022 -2.029 12.704 -7.759 848 2HD1 LEU1022 2HD1 LEU1022 -2.759 14.268 -8.122 849 3HD1 LEU1022 3HD1 LEU1022 -3.060 12.888 -9.178 850 1HD2 LEU1022 1HD2 LEU1022 -0.641 14.907 -11.121 851 2HD2 LEU1022 2HD2 LEU1022 -2.265 14.220 -11.127 852 3HD2 LEU1022 3HD2 LEU1022 -1.898 15.607 -10.101 853 H THR1023 H THR1023 2.928 13.536 -8.209 854 HA THR1023 HA THR1023 2.985 11.163 -9.758 855 HB THR1023 HB THR1023 5.355 12.620 -8.572 856 HG1 THR1023 HG1 THR1023 3.521 13.358 -10.521 857 1HG2 THR1023 1HG2 THR1023 5.060 10.982 -11.099 858 2HG2 THR1023 2HG2 THR1023 6.526 11.806 -10.565 859 3HG2 THR1023 3HG2 THR1023 5.877 10.463 -9.625 860 H ALA1024 H ALA1024 3.804 11.916 -6.434 861 HA ALA1024 HA ALA1024 5.125 9.401 -5.935 862 1HB ALA1024 HB1 ALA1024 4.205 11.518 -3.993 863 2HB ALA1024 HB2 ALA1024 5.270 10.163 -3.623 864 3HB ALA1024 HB3 ALA1024 5.802 11.424 -4.735 865 H ALA1025 H ALA1025 1.996 10.870 -5.181 866 HA ALA1025 HA ALA1025 0.952 8.757 -3.645 867 1HB ALA1025 HB1 ALA1025 -1.229 9.746 -4.080 868 2HB ALA1025 HB2 ALA1025 -0.045 11.005 -3.729 869 3HB ALA1025 HB3 ALA1025 -0.551 10.708 -5.391 870 H HIS1026 H HIS1026 1.190 9.293 -7.078 871 HA HIS1026 HA HIS1026 -0.556 7.181 -7.838 872 1HB HIS1026 HB1 HIS1026 0.076 9.115 -9.310 873 2HB HIS1026 HB2 HIS1026 1.690 8.430 -9.446 874 HD1 HIS1026 HD1 HIS1026 -1.259 8.670 -11.325 875 HD2 HIS1026 HD2 HIS1026 1.358 5.549 -10.493 876 HE1 HIS1026 HE1 HIS1026 -1.621 6.973 -13.148 877 HE2 HIS1026 HE2 HIS1026 0.115 5.193 -12.727 878 H ALA1027 H ALA1027 2.950 7.498 -7.506 879 HA ALA1027 HA ALA1027 3.654 4.883 -8.228 880 1HB ALA1027 HB1 ALA1027 5.009 6.689 -6.222 881 2HB ALA1027 HB2 ALA1027 5.728 5.287 -7.015 882 3HB ALA1027 HB3 ALA1027 5.284 6.705 -7.964 883 H LEU1028 H LEU1028 2.802 6.330 -5.148 884 HA LEU1028 HA LEU1028 3.141 4.176 -3.425 885 1HB LEU1028 HB1 LEU1028 2.689 6.403 -2.625 886 2HB LEU1028 HB2 LEU1028 1.132 6.422 -3.418 887 HG LEU1028 HG LEU1028 1.472 4.257 -1.443 888 1HD1 LEU1028 1HD1 LEU1028 0.973 7.032 -0.424 889 2HD1 LEU1028 2HD1 LEU1028 1.389 5.575 0.479 890 3HD1 LEU1028 3HD1 LEU1028 2.608 6.381 -0.504 891 1HD2 LEU1028 1HD2 LEU1028 -0.781 4.928 -0.850 892 2HD2 LEU1028 2HD2 LEU1028 -0.671 6.298 -1.957 893 3HD2 LEU1028 3HD2 LEU1028 -0.621 4.650 -2.583 894 H ALA1029 H ALA1029 0.186 5.242 -5.033 895 HA ALA1029 HA ALA1029 -1.446 3.188 -4.207 896 1HB ALA1029 HB1 ALA1029 -2.918 3.733 -6.076 897 2HB ALA1029 HB2 ALA1029 -2.280 5.198 -5.328 898 3HB ALA1029 HB3 ALA1029 -1.610 4.626 -6.856 899 H VAL1030 H VAL1030 0.860 3.204 -6.875 900 HA VAL1030 HA VAL1030 0.136 0.722 -7.991 901 HB VAL1030 HB VAL1030 2.821 2.114 -7.941 902 1HG1 VAL1030 1HG1 VAL1030 1.931 -0.198 -9.665 903 2HG1 VAL1030 2HG1 VAL1030 3.479 0.643 -9.756 904 3HG1 VAL1030 3HG1 VAL1030 3.072 -0.301 -8.324 905 1HG2 VAL1030 1HG2 VAL1030 2.239 2.747 -10.244 906 2HG2 VAL1030 2HG2 VAL1030 0.667 1.971 -10.049 907 3HG2 VAL1030 3HG2 VAL1030 1.081 3.380 -9.074 908 H ASP1031 H ASP1031 2.495 1.578 -5.480 909 HA ASP1031 HA ASP1031 3.539 -0.901 -4.872 910 1HB ASP1031 HB1 ASP1031 2.644 1.015 -2.711 911 2HB ASP1031 HB2 ASP1031 3.953 -0.150 -2.637 912 H ALA1032 H ALA1032 0.520 0.518 -3.660 913 HA ALA1032 HA ALA1032 -0.376 -1.665 -2.134 914 1HB ALA1032 HB1 ALA1032 -1.346 0.576 -1.995 915 2HB ALA1032 HB2 ALA1032 -2.017 0.385 -3.615 916 3HB ALA1032 HB3 ALA1032 -2.578 -0.649 -2.301 917 H LYS1033 H LYS1033 -1.133 -0.773 -5.522 918 HA LYS1033 HA LYS1033 -2.894 -2.955 -5.902 919 1HB LYS1033 HB1 LYS1033 -3.000 -2.355 -8.215 920 2HB LYS1033 HB2 LYS1033 -2.949 -0.875 -7.269 921 1HG LYS1033 HG1 LYS1033 -0.533 -0.696 -7.770 922 2HG LYS1033 HG2 LYS1033 -0.679 -2.113 -8.810 923 1HD LYS1033 HD1 LYS1033 -2.210 0.465 -9.158 924 2HD LYS1033 HD2 LYS1033 -0.760 0.020 -10.058 925 1HE LYS1033 HE1 LYS1033 -3.373 -1.486 -10.068 926 2HE LYS1033 HE2 LYS1033 -2.814 -0.400 -11.338 927 1HZ LYS1033 HZ1 LYS1033 -0.825 -1.924 -11.518 928 2HZ LYS1033 HZ2 LYS1033 -1.683 -3.022 -10.546 929 3HZ LYS1033 HZ3 LYS1033 -2.307 -2.560 -12.052 930 H ASN1034 H ASN1034 0.571 -2.653 -6.388 931 HA ASN1034 HA ASN1034 0.777 -5.067 -7.915 932 1HB ASN1034 HB1 ASN1034 2.475 -3.118 -7.790 933 2HB ASN1034 HB2 ASN1034 3.037 -3.891 -6.310 934 1HD2 ASN1034 2HD2 ASN1034 4.120 -5.841 -6.436 935 2HD2 ASN1034 1HD2 ASN1034 4.710 -6.489 -7.922 936 H LEU1035 H LEU1035 0.911 -4.235 -4.519 937 HA LEU1035 HA LEU1035 1.837 -6.887 -3.713 938 1HB LEU1035 HB1 LEU1035 2.512 -4.945 -2.377 939 2HB LEU1035 HB2 LEU1035 0.828 -4.516 -2.098 940 HG LEU1035 HG LEU1035 0.713 -6.914 -1.033 941 1HD1 LEU1035 1HD1 LEU1035 2.795 -7.538 0.076 942 2HD1 LEU1035 2HD1 LEU1035 2.967 -7.582 -1.679 943 3HD1 LEU1035 3HD1 LEU1035 3.637 -6.233 -0.762 944 1HD2 LEU1035 1HD2 LEU1035 1.247 -5.918 1.128 945 2HD2 LEU1035 2HD2 LEU1035 2.022 -4.561 0.309 946 3HD2 LEU1035 3HD2 LEU1035 0.288 -4.828 0.127 947 H LEU1036 H LEU1036 -1.262 -5.203 -4.096 948 HA LEU1036 HA LEU1036 -2.795 -7.045 -2.603 949 1HB LEU1036 HB1 LEU1036 -4.761 -6.205 -3.686 950 2HB LEU1036 HB2 LEU1036 -3.713 -4.866 -3.299 951 HG LEU1036 HG LEU1036 -3.000 -4.963 -5.778 952 1HD1 LEU1036 1HD1 LEU1036 -5.589 -6.510 -5.905 953 2HD1 LEU1036 2HD1 LEU1036 -4.737 -5.825 -7.289 954 3HD1 LEU1036 3HD1 LEU1036 -3.991 -7.116 -6.344 955 1HD2 LEU1036 1HD2 LEU1036 -4.346 -3.191 -4.743 956 2HD2 LEU1036 2HD2 LEU1036 -4.874 -3.536 -6.390 957 3HD2 LEU1036 3HD2 LEU1036 -5.803 -4.144 -5.020 958 H ASP1037 H ASP1037 -1.453 -7.042 -5.705 959 HA ASP1037 HA ASP1037 -2.624 -9.520 -6.566 960 1HB ASP1037 HB1 ASP1037 -1.726 -7.999 -8.254 961 2HB ASP1037 HB2 ASP1037 -0.127 -8.094 -7.520 962 H VAL1038 H VAL1038 0.406 -8.482 -5.125 963 HA VAL1038 HA VAL1038 1.835 -10.835 -4.971 964 HB VAL1038 HB VAL1038 1.703 -8.518 -3.043 965 1HG1 VAL1038 1HG1 VAL1038 3.677 -10.788 -3.107 966 2HG1 VAL1038 2HG1 VAL1038 3.874 -9.304 -2.174 967 3HG1 VAL1038 3HG1 VAL1038 2.541 -10.402 -1.816 968 1HG2 VAL1038 1HG2 VAL1038 2.478 -7.961 -5.281 969 2HG2 VAL1038 2HG2 VAL1038 3.781 -7.823 -4.102 970 3HG2 VAL1038 3HG2 VAL1038 3.706 -9.220 -5.174 971 H ILE1039 H ILE1039 -0.117 -9.478 -2.366 972 HA ILE1039 HA ILE1039 0.241 -11.862 -0.822 973 HB ILE1039 HB ILE1039 -1.135 -10.686 0.911 974 1HG1 ILE1039 1HG1 ILE1039 -1.008 -8.507 -1.172 975 2HG1 ILE1039 2HG1 ILE1039 -2.433 -9.145 -0.356 976 1HG2 ILE1039 1HG2 ILE1039 1.344 -9.324 -0.139 977 2HG2 ILE1039 2HG2 ILE1039 0.693 -9.151 1.492 978 3HG2 ILE1039 3HG2 ILE1039 1.292 -10.716 0.943 979 1HD1 ILE1039 1HD1 ILE1039 -1.825 -6.934 0.465 980 2HD1 ILE1039 2HD1 ILE1039 -1.690 -8.152 1.734 981 3HD1 ILE1039 3HD1 ILE1039 -0.239 -7.542 0.939 982 H ASP1040 H ASP1040 -2.588 -10.387 -2.463 983 HA ASP1040 HA ASP1040 -4.419 -12.381 -1.847 984 1HB ASP1040 HB1 ASP1040 -5.177 -10.639 -3.309 985 2HB ASP1040 HB2 ASP1040 -3.968 -11.051 -4.524 986 H GLN1041 H GLN1041 -1.782 -12.457 -4.190 987 HA GLN1041 HA GLN1041 -2.375 -15.213 -4.811 988 1HB GLN1041 HB1 GLN1041 -0.541 -15.295 -6.279 989 2HB GLN1041 HB2 GLN1041 -1.358 -13.767 -6.563 990 1HG GLN1041 HG1 GLN1041 0.363 -12.595 -5.348 991 2HG GLN1041 HG2 GLN1041 1.152 -14.125 -4.962 992 1HE2 GLN1041 2HE2 GLN1041 1.981 -11.716 -6.513 993 2HE2 GLN1041 1HE2 GLN1041 2.550 -12.337 -8.019 994 H ALA1042 H ALA1042 -0.300 -13.469 -2.571 995 HA ALA1042 HA ALA1042 1.292 -15.497 -1.674 996 1HB ALA1042 HB1 ALA1042 -0.228 -13.534 0.027 997 2HB ALA1042 HB2 ALA1042 1.169 -14.479 0.545 998 3HB ALA1042 HB3 ALA1042 1.348 -13.260 -0.718 999 H ARG1043 H ARG1043 -1.972 -14.744 -0.481 1000 HA ARG1043 HA ARG1043 -2.388 -17.045 1.011 1001 1HB ARG1043 HB1 ARG1043 -3.867 -14.870 0.509 1002 2HB ARG1043 HB2 ARG1043 -4.690 -16.001 -0.558 1003 1HG ARG1043 HG1 ARG1043 -5.829 -15.997 1.526 1004 2HG ARG1043 HG2 ARG1043 -4.961 -17.528 1.393 1005 1HD ARG1043 HD1 ARG1043 -3.220 -16.727 2.848 1006 2HD ARG1043 HD2 ARG1043 -3.936 -15.114 2.878 1007 HE ARG1043 HE ARG1043 -5.780 -17.082 3.785 1008 1HH1 ARG1043 2HH1 ARG1043 -2.973 -15.242 4.829 1009 2HH1 ARG1043 1HH1 ARG1043 -3.432 -15.257 6.508 1010 1HH2 ARG1043 2HH2 ARG1043 -6.353 -17.119 6.002 1011 2HH2 ARG1043 1HH2 ARG1043 -5.323 -16.330 7.162 1012 H LEU1044 H LEU1044 -2.699 -16.530 -2.455 1013 HA LEU1044 HA LEU1044 -3.670 -19.167 -3.022 1014 1HB LEU1044 HB1 LEU1044 -4.116 -17.315 -4.529 1015 2HB LEU1044 HB2 LEU1044 -2.401 -17.095 -4.803 1016 HG LEU1044 HG LEU1044 -2.309 -19.325 -5.883 1017 1HD1 LEU1044 1HD1 LEU1044 -4.382 -20.456 -6.484 1018 2HD1 LEU1044 2HD1 LEU1044 -4.211 -20.344 -4.731 1019 3HD1 LEU1044 3HD1 LEU1044 -5.308 -19.257 -5.582 1020 1HD2 LEU1044 1HD2 LEU1044 -2.579 -17.318 -7.243 1021 2HD2 LEU1044 2HD2 LEU1044 -3.473 -18.672 -7.936 1022 3HD2 LEU1044 3HD2 LEU1044 -4.331 -17.413 -7.049 1023 H LYS1045 H LYS1045 -0.506 -17.727 -2.666 1024 HA LYS1045 HA LYS1045 1.086 -19.761 -3.804 1025 1HB LYS1045 HB1 LYS1045 1.655 -17.906 -1.465 1026 2HB LYS1045 HB2 LYS1045 2.853 -18.938 -2.215 1027 1HG LYS1045 HG1 LYS1045 1.458 -16.579 -3.424 1028 2HG LYS1045 HG2 LYS1045 3.170 -16.749 -3.029 1029 1HD LYS1045 HD1 LYS1045 3.364 -18.520 -4.736 1030 2HD LYS1045 HD2 LYS1045 1.661 -18.291 -5.145 1031 1HE LYS1045 HE1 LYS1045 2.218 -15.885 -5.638 1032 2HE LYS1045 HE2 LYS1045 3.917 -16.325 -5.479 1033 1HZ LYS1045 HZ1 LYS1045 3.305 -16.384 -7.778 1034 2HZ LYS1045 HZ2 LYS1045 3.560 -17.982 -7.266 1035 3HZ LYS1045 HZ3 LYS1045 1.980 -17.395 -7.461 1036 H MET1046 H MET1046 -0.469 -19.273 -0.775 1037 HA MET1046 HA MET1046 0.644 -21.540 0.568 1038 1HB MET1046 HB1 MET1046 -0.365 -19.566 1.706 1039 2HB MET1046 HB2 MET1046 -1.938 -20.081 1.126 1040 1HG MET1046 HG1 MET1046 -1.689 -22.179 2.386 1041 2HG MET1046 HG2 MET1046 -0.136 -21.597 2.991 1042 1HE MET1046 HE1 MET1046 -4.055 -21.060 3.032 1043 2HE MET1046 HE2 MET1046 -4.170 -19.553 3.940 1044 3HE MET1046 HE3 MET1046 -3.421 -19.564 2.344 1045 H ILE1047 H ILE1047 -2.337 -20.892 -1.204 1046 HA ILE1047 HA ILE1047 -3.480 -23.452 -1.094 1047 HB ILE1047 HB ILE1047 -3.647 -21.394 -3.298 1048 1HG1 ILE1047 1HG1 ILE1047 -4.406 -20.528 -1.140 1049 2HG1 ILE1047 2HG1 ILE1047 -5.771 -20.751 -2.228 1050 1HG2 ILE1047 1HG2 ILE1047 -5.450 -23.744 -2.732 1051 2HG2 ILE1047 2HG2 ILE1047 -5.701 -22.520 -3.976 1052 3HG2 ILE1047 3HG2 ILE1047 -4.318 -23.608 -4.078 1053 1HD1 ILE1047 1HD1 ILE1047 -6.310 -21.462 0.030 1054 2HD1 ILE1047 2HD1 ILE1047 -6.341 -22.828 -1.085 1055 3HD1 ILE1047 3HD1 ILE1047 -4.969 -22.607 0.001 1056 H SER1048 H SER1048 -0.985 -22.035 -3.062 1057 HA SER1048 HA SER1048 -0.890 -23.823 -5.195 1058 1HB SER1048 HB1 SER1048 0.192 -21.599 -5.174 1059 2HB SER1048 HB2 SER1048 1.381 -22.193 -4.014 1060 HG SER1048 HG SER1048 2.462 -22.799 -5.704 1061 H GLN1049 H GLN1049 0.760 -23.954 -2.055 1062 HA GLN1049 HA GLN1049 2.242 -26.298 -2.926 1063 1HB GLN1049 HB1 GLN1049 2.290 -24.710 -0.372 1064 2HB GLN1049 HB2 GLN1049 3.187 -26.210 -0.578 1065 1HG GLN1049 HG1 GLN1049 3.494 -23.727 -2.255 1066 2HG GLN1049 HG2 GLN1049 4.594 -24.264 -0.986 1067 1HE2 GLN1049 2HE2 GLN1049 4.341 -27.082 -1.716 1068 2HE2 GLN1049 1HE2 GLN1049 5.245 -27.287 -3.183 1069 H SER1050 H SER1050 -0.656 -25.595 -1.223 1070 HA SER1050 HA SER1050 -0.927 -28.150 0.008 1071 1HB SER1050 HB1 SER1050 -3.039 -26.161 -0.869 1072 2HB SER1050 HB2 SER1050 -3.329 -27.558 0.167 1073 HG SER1050 HG SER1050 -2.742 -26.358 1.767 1074 H ARG1051 H ARG1051 -1.579 -26.791 -3.123 1075 HA ARG1051 HA ARG1051 -2.256 -27.619 -5.105 1076 1HB ARG1051 HB1 ARG1051 -0.880 -30.046 -3.973 1077 2HB ARG1051 HB2 ARG1051 -1.509 -29.987 -5.614 1078 1HG ARG1051 HG1 ARG1051 -0.080 -27.980 -6.006 1079 2HG ARG1051 HG2 ARG1051 0.640 -28.257 -4.421 1080 1HD ARG1051 HD1 ARG1051 1.482 -30.395 -5.110 1081 2HD ARG1051 HD2 ARG1051 0.614 -30.293 -6.641 1082 HE ARG1051 HE ARG1051 2.715 -28.337 -5.975 1083 1HH1 ARG1051 2HH1 ARG1051 1.395 -30.798 -8.083 1084 2HH1 ARG1051 1HH1 ARG1051 2.573 -30.555 -9.334 1085 1HH2 ARG1051 2HH2 ARG1051 4.251 -27.982 -7.630 1086 2HH2 ARG1051 1HH2 ARG1051 4.196 -28.948 -9.078 1087 HA PRO1052 HA PRO1052 -6.093 -29.522 -3.576 1088 1HB PRO1052 HB1 PRO1052 -7.755 -27.539 -4.168 1089 2HB PRO1052 HB2 PRO1052 -6.657 -27.412 -2.789 1090 1HG PRO1052 HG1 PRO1052 -6.457 -26.158 -5.488 1091 2HG PRO1052 HG2 PRO1052 -6.017 -25.495 -3.905 1092 1HD PRO1052 HD1 PRO1052 -4.263 -26.664 -5.762 1093 2HD PRO1052 HD2 PRO1052 -3.908 -26.317 -4.058 1094 H HIS1053 H HIS1053 -4.747 -29.254 -6.461 1095 HA HIS1053 HA HIS1053 -7.191 -29.675 -8.029 1096 1HB HIS1053 HB1 HIS1053 -5.592 -27.928 -8.817 1097 2HB HIS1053 HB2 HIS1053 -4.373 -29.180 -9.017 1098 HD1 HIS1053 HD1 HIS1053 -4.377 -30.450 -11.181 1099 HD2 HIS1053 HD2 HIS1053 -7.829 -28.193 -10.634 1100 HE1 HIS1053 HE1 HIS1053 -5.605 -30.542 -13.375 1101 HE2 HIS1053 HE2 HIS1053 -7.760 -29.295 -12.978 Start of MODEL 14 1 1H ARG 920 H ARG 920 -8.449 -19.926 -2.384 2 HA ARG 920 HA ARG 920 -8.993 -19.294 0.438 3 1HB ARG 920 HB1 ARG 920 -6.581 -19.521 -0.353 4 2HB ARG 920 HB2 ARG 920 -6.857 -18.054 -1.286 5 1HG ARG 920 HG1 ARG 920 -5.824 -17.369 0.702 6 2HG ARG 920 HG2 ARG 920 -7.539 -16.954 0.874 7 1HD ARG 920 HD1 ARG 920 -7.849 -19.104 2.115 8 2HD ARG 920 HD2 ARG 920 -6.107 -19.337 2.031 9 HE ARG 920 HE ARG 920 -7.272 -17.003 3.396 10 1HH1 ARG 920 2HH1 ARG 920 -5.164 -19.800 3.374 11 2HH1 ARG 920 1HH1 ARG 920 -4.540 -19.498 4.964 12 1HH2 ARG 920 2HH2 ARG 920 -6.467 -16.630 5.507 13 2HH2 ARG 920 1HH2 ARG 920 -5.282 -17.726 6.173 14 H SER 921 H SER 921 -10.349 -17.708 0.830 15 HA SER 921 HA SER 921 -11.514 -16.165 -1.277 16 1HB SER 921 HB1 SER 921 -11.834 -15.877 1.711 17 2HB SER 921 HB2 SER 921 -12.947 -15.298 0.471 18 HG SER 921 HG SER 921 -13.795 -17.207 1.107 19 H ASN 922 H ASN 922 -8.783 -15.650 -1.140 20 HA ASN 922 HA ASN 922 -7.152 -14.072 -0.909 21 1HB ASN 922 HB1 ASN 922 -8.958 -11.830 -1.451 22 2HB ASN 922 HB2 ASN 922 -7.537 -12.369 -2.338 23 1HD2 ASN 922 2HD2 ASN 922 -7.755 -14.160 -3.752 24 2HD2 ASN 922 1HD2 ASN 922 -9.267 -14.496 -4.515 25 H ASP 923 H ASP 923 -7.090 -14.444 1.281 26 HA ASP 923 HA ASP 923 -8.537 -13.426 3.334 27 1HB ASP 923 HB1 ASP 923 -6.521 -15.119 3.185 28 2HB ASP 923 HB2 ASP 923 -5.584 -13.709 3.665 29 H LYS 924 H LYS 924 -7.154 -12.140 5.114 30 HA LYS 924 HA LYS 924 -7.543 -9.454 4.707 31 1HB LYS 924 HB1 LYS 924 -6.814 -10.955 6.815 32 2HB LYS 924 HB2 LYS 924 -5.270 -10.192 6.472 33 1HG LYS 924 HG1 LYS 924 -7.540 -8.346 6.525 34 2HG LYS 924 HG2 LYS 924 -7.214 -9.152 8.059 35 1HD LYS 924 HD1 LYS 924 -4.922 -8.378 8.016 36 2HD LYS 924 HD2 LYS 924 -5.166 -7.659 6.423 37 1HE LYS 924 HE1 LYS 924 -5.262 -5.969 8.180 38 2HE LYS 924 HE2 LYS 924 -6.812 -6.123 7.351 39 1HZ LYS 924 HZ1 LYS 924 -6.111 -7.273 10.002 40 2HZ LYS 924 HZ2 LYS 924 -7.136 -5.953 9.717 41 3HZ LYS 924 HZ3 LYS 924 -7.591 -7.503 9.202 42 H VAL 925 H VAL 925 -5.059 -11.333 3.381 43 HA VAL 925 HA VAL 925 -3.109 -9.389 2.851 44 HB VAL 925 HB VAL 925 -2.623 -10.911 0.810 45 1HG1 VAL 925 1HG1 VAL 925 -2.512 -12.004 3.631 46 2HG1 VAL 925 2HG1 VAL 925 -1.553 -12.587 2.269 47 3HG1 VAL 925 3HG1 VAL 925 -1.320 -10.946 2.874 48 1HG2 VAL 925 1HG2 VAL 925 -4.594 -12.652 2.301 49 2HG2 VAL 925 2HG2 VAL 925 -4.814 -11.977 0.686 50 3HG2 VAL 925 3HG2 VAL 925 -3.552 -13.173 0.977 51 H TYR 926 H TYR 926 -5.899 -10.524 0.782 52 HA TYR 926 HA TYR 926 -5.164 -8.496 -1.202 53 1HB TYR 926 HB1 TYR 926 -6.102 -10.685 -1.874 54 2HB TYR 926 HB2 TYR 926 -7.588 -10.330 -1.003 55 HD1 TYR 926 HD1 TYR 926 -5.439 -8.644 -3.566 56 HD2 TYR 926 HD2 TYR 926 -9.362 -9.713 -2.316 57 HE1 TYR 926 HE1 TYR 926 -6.359 -7.614 -5.598 58 HE2 TYR 926 HE2 TYR 926 -10.295 -8.680 -4.349 59 HH TYR 926 HH TYR 926 -8.357 -7.769 -6.997 60 H GLU 927 H GLU 927 -7.308 -8.975 1.469 61 HA GLU 927 HA GLU 927 -9.189 -6.939 0.999 62 1HB GLU 927 HB1 GLU 927 -8.256 -8.307 3.515 63 2HB GLU 927 HB2 GLU 927 -9.561 -7.142 3.504 64 1HG GLU 927 HG1 GLU 927 -10.687 -8.638 1.791 65 2HG GLU 927 HG2 GLU 927 -9.464 -9.840 2.201 66 H ASN 928 H ASN 928 -6.430 -6.950 3.263 67 HA ASN 928 HA ASN 928 -6.926 -4.256 4.049 68 1HB ASN 928 HB1 ASN 928 -5.962 -5.967 5.540 69 2HB ASN 928 HB2 ASN 928 -4.506 -5.979 4.552 70 1HD2 ASN 928 2HD2 ASN 928 -3.274 -5.425 6.298 71 2HD2 ASN 928 1HD2 ASN 928 -3.246 -3.818 6.936 72 H VAL 929 H VAL 929 -4.627 -5.762 1.827 73 HA VAL 929 HA VAL 929 -3.077 -3.506 1.308 74 HB VAL 929 HB VAL 929 -2.539 -5.768 0.456 75 1HG1 VAL 929 1HG1 VAL 929 -4.707 -5.208 -1.550 76 2HG1 VAL 929 2HG1 VAL 929 -3.588 -6.571 -1.586 77 3HG1 VAL 929 3HG1 VAL 929 -4.755 -6.424 -0.272 78 1HG2 VAL 929 1HG2 VAL 929 -1.646 -5.030 -1.705 79 2HG2 VAL 929 2HG2 VAL 929 -2.686 -3.607 -1.641 80 3HG2 VAL 929 3HG2 VAL 929 -1.407 -3.818 -0.445 81 H THR 930 H THR 930 -6.195 -4.486 -0.075 82 HA THR 930 HA THR 930 -6.488 -2.267 -1.807 83 HB THR 930 HB THR 930 -8.667 -3.820 -0.384 84 HG1 THR 930 HG1 THR 930 -7.618 -5.321 -1.589 85 1HG2 THR 930 1HG2 THR 930 -8.735 -2.153 -2.902 86 2HG2 THR 930 2HG2 THR 930 -10.072 -3.116 -2.276 87 3HG2 THR 930 3HG2 THR 930 -9.475 -1.734 -1.357 88 H GLY 931 H GLY 931 -7.106 -2.849 1.560 89 1HA GLY 931 HA1 GLY 931 -8.376 -0.501 2.327 90 2HA GLY 931 HA2 GLY 931 -7.290 -1.426 3.352 91 H LEU 932 H LEU 932 -4.917 -1.038 1.694 92 HA LEU 932 HA LEU 932 -4.025 1.484 2.592 93 1HB LEU 932 HB1 LEU 932 -2.361 -0.148 2.150 94 2HB LEU 932 HB2 LEU 932 -2.975 -0.446 0.534 95 HG LEU 932 HG LEU 932 -2.141 1.741 -0.207 96 1HD1 LEU 932 1HD1 LEU 932 -1.082 1.993 2.603 97 2HD1 LEU 932 2HD1 LEU 932 -0.672 3.056 1.255 98 3HD1 LEU 932 3HD1 LEU 932 -2.330 2.991 1.855 99 1HD2 LEU 932 1HD2 LEU 932 -0.684 -0.189 -0.416 100 2HD2 LEU 932 2HD2 LEU 932 0.252 1.262 -0.060 101 3HD2 LEU 932 3HD2 LEU 932 -0.064 0.083 1.213 102 H VAL 933 H VAL 933 -5.228 0.366 -0.542 103 HA VAL 933 HA VAL 933 -5.011 2.830 -1.891 104 HB VAL 933 HB VAL 933 -7.092 0.696 -2.381 105 1HG1 VAL 933 1HG1 VAL 933 -5.887 2.772 -4.204 106 2HG1 VAL 933 2HG1 VAL 933 -7.017 1.511 -4.695 107 3HG1 VAL 933 3HG1 VAL 933 -7.531 2.766 -3.568 108 1HG2 VAL 933 1HG2 VAL 933 -4.868 -0.301 -2.317 109 2HG2 VAL 933 2HG2 VAL 933 -5.497 -0.279 -3.965 110 3HG2 VAL 933 3HG2 VAL 933 -4.285 0.902 -3.467 111 H LYS 934 H LYS 934 -7.671 1.421 -0.014 112 HA LYS 934 HA LYS 934 -9.498 3.525 -0.365 113 1HB LYS 934 HB1 LYS 934 -9.303 1.781 2.092 114 2HB LYS 934 HB2 LYS 934 -10.723 2.617 1.494 115 1HG LYS 934 HG1 LYS 934 -9.351 0.280 0.181 116 2HG LYS 934 HG2 LYS 934 -10.865 0.236 1.076 117 1HD LYS 934 HD1 LYS 934 -11.774 0.400 -0.982 118 2HD LYS 934 HD2 LYS 934 -11.452 2.122 -0.765 119 1HE LYS 934 HE1 LYS 934 -9.427 1.977 -2.018 120 2HE LYS 934 HE2 LYS 934 -9.497 0.216 -2.041 121 1HZ LYS 934 HZ1 LYS 934 -11.520 0.372 -3.389 122 2HZ LYS 934 HZ2 LYS 934 -11.382 2.065 -3.416 123 3HZ LYS 934 HZ3 LYS 934 -10.194 1.104 -4.155 124 H ALA 935 H ALA 935 -6.807 3.093 1.807 125 HA ALA 935 HA ALA 935 -7.525 5.285 3.511 126 1HB ALA 935 HB1 ALA 935 -4.913 3.815 3.308 127 2HB ALA 935 HB2 ALA 935 -5.416 4.896 4.608 128 3HB ALA 935 HB3 ALA 935 -6.265 3.373 4.351 129 H VAL 936 H VAL 936 -5.587 4.897 0.610 130 HA VAL 936 HA VAL 936 -4.629 7.594 0.850 131 HB VAL 936 HB VAL 936 -3.236 5.955 -0.306 132 1HG1 VAL 936 1HG1 VAL 936 -4.951 4.625 -1.402 133 2HG1 VAL 936 2HG1 VAL 936 -5.374 5.989 -2.438 134 3HG1 VAL 936 3HG1 VAL 936 -3.790 5.227 -2.585 135 1HG2 VAL 936 1HG2 VAL 936 -2.941 8.314 -0.786 136 2HG2 VAL 936 2HG2 VAL 936 -2.605 7.335 -2.213 137 3HG2 VAL 936 3HG2 VAL 936 -4.128 8.216 -2.087 138 H ILE 937 H ILE 937 -7.479 6.075 -0.135 139 HA ILE 937 HA ILE 937 -8.561 8.286 -1.575 140 HB ILE 937 HB ILE 937 -9.980 6.160 0.049 141 1HG1 ILE 937 1HG1 ILE 937 -8.768 5.227 -1.848 142 2HG1 ILE 937 2HG1 ILE 937 -10.500 5.173 -2.156 143 1HG2 ILE 937 1HG2 ILE 937 -11.372 8.143 -0.163 144 2HG2 ILE 937 2HG2 ILE 937 -11.121 8.153 -1.908 145 3HG2 ILE 937 3HG2 ILE 937 -12.009 6.829 -1.153 146 1HD1 ILE 937 1HD1 ILE 937 -10.307 7.141 -3.580 147 2HD1 ILE 937 2HD1 ILE 937 -8.573 7.199 -3.266 148 3HD1 ILE 937 3HD1 ILE 937 -9.266 5.831 -4.139 149 H GLU 938 H GLU 938 -8.408 7.305 1.816 150 HA GLU 938 HA GLU 938 -9.659 9.413 3.084 151 1HB GLU 938 HB1 GLU 938 -7.041 8.122 3.899 152 2HB GLU 938 HB2 GLU 938 -8.043 9.123 4.941 153 1HG GLU 938 HG1 GLU 938 -8.839 6.482 3.733 154 2HG GLU 938 HG2 GLU 938 -8.378 6.766 5.412 155 H MET 939 H MET 939 -6.463 9.314 1.619 156 HA MET 939 HA MET 939 -5.513 11.813 2.439 157 1HB MET 939 HB1 MET 939 -4.150 10.103 1.257 158 2HB MET 939 HB2 MET 939 -5.039 10.443 -0.220 159 1HG MET 939 HG1 MET 939 -4.207 12.774 -0.127 160 2HG MET 939 HG2 MET 939 -3.233 12.329 1.273 161 1HE MET 939 HE1 MET 939 -3.792 11.940 -2.565 162 2HE MET 939 HE2 MET 939 -2.645 10.668 -2.989 163 3HE MET 939 HE3 MET 939 -4.055 10.291 -1.999 164 H SER 940 H SER 940 -7.432 10.891 -0.397 165 HA SER 940 HA SER 940 -7.704 13.485 -1.462 166 1HB SER 940 HB1 SER 940 -9.532 11.092 -1.762 167 2HB SER 940 HB2 SER 940 -9.533 12.525 -2.794 168 HG SER 940 HG SER 940 -7.224 11.979 -3.153 169 H SER 941 H SER 941 -9.467 11.807 1.073 170 HA SER 941 HA SER 941 -11.716 13.623 0.988 171 1HB SER 941 HB1 SER 941 -10.955 11.655 3.165 172 2HB SER 941 HB2 SER 941 -12.539 12.385 2.900 173 HG SER 941 HG SER 941 -11.405 10.947 0.789 174 H LYS 942 H LYS 942 -8.785 13.123 2.740 175 HA LYS 942 HA LYS 942 -9.225 14.963 4.836 176 1HB LYS 942 HB1 LYS 942 -7.187 13.119 3.950 177 2HB LYS 942 HB2 LYS 942 -6.471 14.631 4.502 178 1HG LYS 942 HG1 LYS 942 -8.473 13.058 6.097 179 2HG LYS 942 HG2 LYS 942 -6.718 12.885 6.260 180 1HD LYS 942 HD1 LYS 942 -6.462 15.106 6.961 181 2HD LYS 942 HD2 LYS 942 -8.098 15.538 6.449 182 1HE LYS 942 HE1 LYS 942 -7.891 15.318 8.910 183 2HE LYS 942 HE2 LYS 942 -9.048 14.182 8.221 184 1HZ LYS 942 HZ1 LYS 942 -7.438 12.420 8.409 185 2HZ LYS 942 HZ2 LYS 942 -6.238 13.495 8.935 186 3HZ LYS 942 HZ3 LYS 942 -7.584 13.185 9.913 187 H ILE 943 H ILE 943 -7.890 15.244 1.610 188 HA ILE 943 HA ILE 943 -6.810 17.850 2.120 189 HB ILE 943 HB ILE 943 -5.843 16.338 0.383 190 1HG1 ILE 943 1HG1 ILE 943 -6.821 18.991 -0.697 191 2HG1 ILE 943 2HG1 ILE 943 -5.424 18.776 0.351 192 1HG2 ILE 943 1HG2 ILE 943 -7.894 15.431 -0.534 193 2HG2 ILE 943 2HG2 ILE 943 -8.340 17.020 -1.156 194 3HG2 ILE 943 3HG2 ILE 943 -6.929 16.182 -1.805 195 1HD1 ILE 943 1HD1 ILE 943 -5.726 17.635 -2.416 196 2HD1 ILE 943 2HD1 ILE 943 -4.779 19.057 -1.980 197 3HD1 ILE 943 3HD1 ILE 943 -4.316 17.467 -1.371 198 H GLN 944 H GLN 944 -9.843 16.543 1.163 199 HA GLN 944 HA GLN 944 -11.019 18.652 -0.183 200 1HB GLN 944 HB1 GLN 944 -12.224 16.638 1.701 201 2HB GLN 944 HB2 GLN 944 -13.192 17.792 0.795 202 1HG GLN 944 HG1 GLN 944 -11.350 15.732 -0.401 203 2HG GLN 944 HG2 GLN 944 -13.105 15.602 -0.284 204 1HE2 GLN 944 2HE2 GLN 944 -11.346 15.621 -2.637 205 2HE2 GLN 944 1HE2 GLN 944 -11.908 16.926 -3.631 206 HA PRO 945 HA PRO 945 -12.677 20.666 3.670 207 1HB PRO 945 HB1 PRO 945 -12.160 19.580 6.168 208 2HB PRO 945 HB2 PRO 945 -13.540 19.198 5.140 209 1HG PRO 945 HG1 PRO 945 -11.387 17.482 5.870 210 2HG PRO 945 HG2 PRO 945 -12.727 17.130 4.767 211 1HD PRO 945 HD1 PRO 945 -9.947 17.966 4.161 212 2HD PRO 945 HD2 PRO 945 -11.085 17.016 3.182 213 H ALA 946 H ALA 946 -9.314 20.155 3.664 214 HA ALA 946 HA ALA 946 -8.973 22.403 5.543 215 1HB ALA 946 HB1 ALA 946 -8.415 20.296 6.653 216 2HB ALA 946 HB2 ALA 946 -7.216 19.961 5.404 217 3HB ALA 946 HB3 ALA 946 -7.005 21.342 6.481 218 HA PRO 947 HA PRO 947 -5.858 23.963 2.598 219 1HB PRO 947 HB1 PRO 947 -4.504 25.307 4.793 220 2HB PRO 947 HB2 PRO 947 -5.497 26.014 3.518 221 1HG PRO 947 HG1 PRO 947 -6.252 25.966 6.125 222 2HG PRO 947 HG2 PRO 947 -7.407 25.933 4.779 223 1HD PRO 947 HD1 PRO 947 -6.369 23.654 6.435 224 2HD PRO 947 HD2 PRO 947 -8.037 24.006 5.927 225 HA PRO 948 HA PRO 948 -2.101 21.775 2.362 226 1HB PRO 948 HB1 PRO 948 -0.023 23.418 3.327 227 2HB PRO 948 HB2 PRO 948 -0.581 23.269 1.659 228 1HG PRO 948 HG1 PRO 948 -1.279 25.302 3.720 229 2HG PRO 948 HG2 PRO 948 -1.089 25.491 1.967 230 1HD PRO 948 HD1 PRO 948 -3.507 25.468 3.063 231 2HD PRO 948 HD2 PRO 948 -3.210 24.626 1.524 232 H GLU 949 H GLU 949 -2.519 23.163 5.516 233 HA GLU 949 HA GLU 949 -0.784 21.492 6.958 234 1HB GLU 949 HB1 GLU 949 -3.443 22.676 7.758 235 2HB GLU 949 HB2 GLU 949 -2.315 21.913 8.869 236 1HG GLU 949 HG1 GLU 949 -0.641 23.609 8.348 237 2HG GLU 949 HG2 GLU 949 -1.756 24.367 7.214 238 H GLU 950 H GLU 950 -3.367 20.660 4.980 239 HA GLU 950 HA GLU 950 -3.890 18.185 6.439 240 1HB GLU 950 HB1 GLU 950 -5.765 17.878 5.186 241 2HB GLU 950 HB2 GLU 950 -5.668 19.631 5.104 242 1HG GLU 950 HG1 GLU 950 -4.566 17.806 2.980 243 2HG GLU 950 HG2 GLU 950 -6.210 18.424 2.960 244 H TYR 951 H TYR 951 -2.193 19.420 3.642 245 HA TYR 951 HA TYR 951 -1.580 17.250 2.143 246 1HB TYR 951 HB1 TYR 951 0.042 19.596 3.005 247 2HB TYR 951 HB2 TYR 951 0.902 18.263 2.252 248 HD1 TYR 951 HD1 TYR 951 0.752 17.843 -0.065 249 HD2 TYR 951 HD2 TYR 951 -1.663 20.844 1.722 250 HE1 TYR 951 HE1 TYR 951 0.211 18.717 -2.288 251 HE2 TYR 951 HE2 TYR 951 -2.218 21.732 -0.494 252 HH TYR 951 HH TYR 951 -1.494 21.727 -2.713 253 H VAL 952 H VAL 952 -0.064 18.153 5.202 254 HA VAL 952 HA VAL 952 1.479 15.753 5.262 255 HB VAL 952 HB VAL 952 2.609 17.131 6.573 256 1HG1 VAL 952 1HG1 VAL 952 1.223 19.049 6.359 257 2HG1 VAL 952 2HG1 VAL 952 0.028 18.387 7.475 258 3HG1 VAL 952 3HG1 VAL 952 1.621 18.863 8.066 259 1HG2 VAL 952 1HG2 VAL 952 0.693 16.027 8.618 260 2HG2 VAL 952 2HG2 VAL 952 2.197 15.293 8.061 261 3HG2 VAL 952 3HG2 VAL 952 2.239 16.790 8.994 262 HA PRO 953 HA PRO 953 -1.701 13.968 8.522 263 1HB PRO 953 HB1 PRO 953 -4.105 15.564 7.819 264 2HB PRO 953 HB2 PRO 953 -3.578 14.944 9.389 265 1HG PRO 953 HG1 PRO 953 -3.293 17.505 8.827 266 2HG PRO 953 HG2 PRO 953 -1.994 16.628 9.664 267 1HD PRO 953 HD1 PRO 953 -2.200 17.403 6.772 268 2HD PRO 953 HD2 PRO 953 -0.806 17.506 7.866 269 H MET 954 H MET 954 -2.982 15.093 5.370 270 HA MET 954 HA MET 954 -4.763 12.913 5.061 271 1HB MET 954 HB1 MET 954 -4.959 13.521 2.738 272 2HB MET 954 HB2 MET 954 -4.946 14.978 3.714 273 1HG MET 954 HG1 MET 954 -2.684 15.455 3.067 274 2HG MET 954 HG2 MET 954 -2.557 13.909 2.227 275 1HE MET 954 HE1 MET 954 -1.654 15.315 0.092 276 2HE MET 954 HE2 MET 954 -2.559 16.643 -0.635 277 3HE MET 954 HE3 MET 954 -1.879 16.821 0.983 278 H VAL 955 H VAL 955 -1.501 13.440 3.744 279 HA VAL 955 HA VAL 955 -1.229 10.829 2.771 280 HB VAL 955 HB VAL 955 0.948 12.724 3.673 281 1HG1 VAL 955 1HG1 VAL 955 1.720 10.401 3.544 282 2HG1 VAL 955 2HG1 VAL 955 1.105 10.295 1.894 283 3HG1 VAL 955 3HG1 VAL 955 2.430 11.397 2.273 284 1HG2 VAL 955 1HG2 VAL 955 -0.468 13.665 1.922 285 2HG2 VAL 955 2HG2 VAL 955 1.127 13.265 1.283 286 3HG2 VAL 955 3HG2 VAL 955 -0.247 12.212 0.947 287 H LYS 956 H LYS 956 -0.962 12.148 5.967 288 HA LYS 956 HA LYS 956 0.548 10.063 7.158 289 1HB LYS 956 HB1 LYS 956 0.074 12.219 8.284 290 2HB LYS 956 HB2 LYS 956 -1.622 11.760 8.407 291 1HG LYS 956 HG1 LYS 956 -1.002 9.849 9.806 292 2HG LYS 956 HG2 LYS 956 0.693 10.325 9.695 293 1HD LYS 956 HD1 LYS 956 0.183 12.433 10.807 294 2HD LYS 956 HD2 LYS 956 -1.523 11.987 10.893 295 1HE LYS 956 HE1 LYS 956 -0.957 10.068 12.289 296 2HE LYS 956 HE2 LYS 956 0.752 10.488 12.186 297 1HZ LYS 956 HZ1 LYS 956 0.228 12.604 13.283 298 2HZ LYS 956 HZ2 LYS 956 -1.387 12.120 13.449 299 3HZ LYS 956 HZ3 LYS 956 -0.163 11.266 14.251 300 H GLU 957 H GLU 957 -2.888 10.532 6.610 301 HA GLU 957 HA GLU 957 -3.945 8.238 7.713 302 1HB GLU 957 HB1 GLU 957 -4.784 9.284 4.996 303 2HB GLU 957 HB2 GLU 957 -5.777 8.427 6.164 304 1HG GLU 957 HG1 GLU 957 -4.602 11.151 6.642 305 2HG GLU 957 HG2 GLU 957 -6.213 10.872 5.988 306 H VAL 958 H VAL 958 -2.498 8.621 4.481 307 HA VAL 958 HA VAL 958 -2.705 5.884 3.770 308 HB VAL 958 HB VAL 958 -0.575 7.622 2.616 309 1HG1 VAL 958 1HG1 VAL 958 -1.310 6.550 0.536 310 2HG1 VAL 958 2HG1 VAL 958 -0.837 5.379 1.766 311 3HG1 VAL 958 3HG1 VAL 958 -2.545 5.674 1.440 312 1HG2 VAL 958 1HG2 VAL 958 -3.526 8.060 2.313 313 2HG2 VAL 958 2HG2 VAL 958 -2.286 9.226 2.752 314 3HG2 VAL 958 3HG2 VAL 958 -2.357 8.600 1.107 315 H GLY 959 H GLY 959 -0.414 7.618 5.738 316 1HA GLY 959 HA1 GLY 959 1.787 5.847 5.291 317 2HA GLY 959 HA2 GLY 959 1.643 6.999 6.607 318 H LEU 960 H LEU 960 -0.476 6.186 8.009 319 HA LEU 960 HA LEU 960 0.195 3.758 9.249 320 1HB LEU 960 HB1 LEU 960 -2.331 5.390 9.275 321 2HB LEU 960 HB2 LEU 960 -2.205 3.883 10.159 322 HG LEU 960 HG LEU 960 -1.817 5.670 11.691 323 1HD1 LEU 960 1HD1 LEU 960 0.423 5.164 12.505 324 2HD1 LEU 960 2HD1 LEU 960 -0.432 3.704 12.004 325 3HD1 LEU 960 3HD1 LEU 960 0.812 4.398 10.963 326 1HD2 LEU 960 1HD2 LEU 960 -0.021 7.305 11.403 327 2HD2 LEU 960 2HD2 LEU 960 0.318 6.648 9.802 328 3HD2 LEU 960 3HD2 LEU 960 -1.231 7.429 10.126 329 H ALA 961 H ALA 961 -1.609 4.423 6.436 330 HA ALA 961 HA ALA 961 -3.182 2.114 6.264 331 1HB ALA 961 HB1 ALA 961 -3.335 2.554 3.892 332 2HB ALA 961 HB2 ALA 961 -3.477 4.054 4.812 333 3HB ALA 961 HB3 ALA 961 -1.967 3.661 3.990 334 H LEU 962 H LEU 962 0.034 2.671 4.653 335 HA LEU 962 HA LEU 962 0.183 -0.079 3.957 336 1HB LEU 962 HB1 LEU 962 1.353 1.616 2.628 337 2HB LEU 962 HB2 LEU 962 2.362 2.013 4.016 338 HG LEU 962 HG LEU 962 2.431 -0.812 3.122 339 1HD1 LEU 962 1HD1 LEU 962 3.993 -0.307 1.312 340 2HD1 LEU 962 2HD1 LEU 962 2.394 0.363 0.989 341 3HD1 LEU 962 3HD1 LEU 962 3.697 1.416 1.536 342 1HD2 LEU 962 1HD2 LEU 962 3.806 0.018 4.979 343 2HD2 LEU 962 2HD2 LEU 962 4.795 -0.559 3.637 344 3HD2 LEU 962 3HD2 LEU 962 4.571 1.173 3.888 345 H ARG 963 H ARG 963 1.278 1.778 6.770 346 HA ARG 963 HA ARG 963 2.759 -0.150 8.084 347 1HB ARG 963 HB1 ARG 963 1.890 2.287 8.753 348 2HB ARG 963 HB2 ARG 963 0.690 1.353 9.628 349 1HG ARG 963 HG1 ARG 963 3.676 1.151 9.983 350 2HG ARG 963 HG2 ARG 963 2.560 1.996 11.052 351 1HD ARG 963 HD1 ARG 963 2.594 -0.964 10.485 352 2HD ARG 963 HD2 ARG 963 3.171 -0.181 11.953 353 HE ARG 963 HE ARG 963 0.549 0.603 11.727 354 1HH1 ARG 963 2HH1 ARG 963 2.259 -2.440 11.905 355 2HH1 ARG 963 1HH1 ARG 963 0.944 -3.291 12.660 356 1HH2 ARG 963 2HH2 ARG 963 -1.186 -0.494 12.720 357 2HH2 ARG 963 1HH2 ARG 963 -1.024 -2.178 13.138 358 H THR 964 H THR 964 -0.763 0.342 8.359 359 HA THR 964 HA THR 964 -1.451 -2.000 9.657 360 HB THR 964 HB THR 964 -3.079 -0.760 7.430 361 HG1 THR 964 HG1 THR 964 -2.614 0.880 8.865 362 1HG2 THR 964 1HG2 THR 964 -3.942 -2.906 8.207 363 2HG2 THR 964 2HG2 THR 964 -3.881 -2.339 9.876 364 3HG2 THR 964 3HG2 THR 964 -4.993 -1.590 8.730 365 H LEU 965 H LEU 965 -0.808 -1.494 6.243 366 HA LEU 965 HA LEU 965 -1.559 -4.048 5.300 367 1HB LEU 965 HB1 LEU 965 -0.622 -1.695 4.185 368 2HB LEU 965 HB2 LEU 965 0.676 -2.833 3.881 369 HG LEU 965 HG LEU 965 -2.190 -3.062 2.988 370 1HD1 LEU 965 1HD1 LEU 965 0.400 -2.786 1.481 371 2HD1 LEU 965 2HD1 LEU 965 -1.195 -2.996 0.758 372 3HD1 LEU 965 3HD1 LEU 965 -0.831 -1.539 1.684 373 1HD2 LEU 965 1HD2 LEU 965 -1.516 -5.146 1.889 374 2HD2 LEU 965 2HD2 LEU 965 0.063 -5.041 2.668 375 3HD2 LEU 965 3HD2 LEU 965 -1.390 -5.263 3.644 376 H LEU 966 H LEU 966 1.280 -2.810 6.819 377 HA LEU 966 HA LEU 966 3.093 -4.883 6.180 378 1HB LEU 966 HB1 LEU 966 3.729 -2.672 7.112 379 2HB LEU 966 HB2 LEU 966 3.064 -3.161 8.658 380 HG LEU 966 HG LEU 966 4.748 -4.940 8.829 381 1HD1 LEU 966 1HD1 LEU 966 5.044 -5.384 6.444 382 2HD1 LEU 966 2HD1 LEU 966 5.815 -3.810 6.244 383 3HD1 LEU 966 3HD1 LEU 966 6.587 -5.051 7.231 384 1HD2 LEU 966 1HD2 LEU 966 5.912 -2.222 8.224 385 2HD2 LEU 966 2HD2 LEU 966 5.221 -2.733 9.764 386 3HD2 LEU 966 3HD2 LEU 966 6.692 -3.498 9.160 387 H ALA 967 H ALA 967 0.664 -4.555 8.707 388 HA ALA 967 HA ALA 967 1.288 -6.915 10.142 389 1HB ALA 967 HB1 ALA 967 -1.406 -5.616 9.727 390 2HB ALA 967 HB2 ALA 967 -1.017 -6.818 10.958 391 3HB ALA 967 HB3 ALA 967 -0.256 -5.228 11.006 392 H THR 968 H THR 968 -0.696 -6.285 7.320 393 HA THR 968 HA THR 968 -1.601 -8.919 6.854 394 HB THR 968 HB THR 968 -1.198 -6.532 5.078 395 HG1 THR 968 HG1 THR 968 -3.631 -7.817 5.192 396 1HG2 THR 968 1HG2 THR 968 -2.195 -7.753 3.222 397 2HG2 THR 968 2HG2 THR 968 -0.666 -8.490 3.704 398 3HG2 THR 968 3HG2 THR 968 -2.195 -9.234 4.179 399 H VAL 969 H VAL 969 1.297 -7.190 5.814 400 HA VAL 969 HA VAL 969 2.501 -9.138 4.289 401 HB VAL 969 HB VAL 969 3.868 -7.240 6.203 402 1HG1 VAL 969 1HG1 VAL 969 5.850 -7.546 4.777 403 2HG1 VAL 969 2HG1 VAL 969 5.379 -9.040 5.587 404 3HG1 VAL 969 3HG1 VAL 969 4.996 -8.802 3.882 405 1HG2 VAL 969 1HG2 VAL 969 2.431 -6.176 4.506 406 2HG2 VAL 969 2HG2 VAL 969 4.140 -5.805 4.272 407 3HG2 VAL 969 3HG2 VAL 969 3.344 -6.998 3.242 408 H ASP 970 H ASP 970 2.234 -9.014 7.801 409 HA ASP 970 HA ASP 970 3.988 -11.235 8.255 410 1HB ASP 970 HB1 ASP 970 2.132 -9.616 9.913 411 2HB ASP 970 HB2 ASP 970 2.475 -11.243 10.482 412 H GLU 971 H GLU 971 0.638 -10.940 7.452 413 HA GLU 971 HA GLU 971 -0.104 -13.648 7.985 414 1HB GLU 971 HB1 GLU 971 -1.127 -11.880 5.746 415 2HB GLU 971 HB2 GLU 971 -1.944 -13.270 6.446 416 1HG GLU 971 HG1 GLU 971 -1.250 -10.829 8.042 417 2HG GLU 971 HG2 GLU 971 -2.762 -10.986 7.145 418 H SER 972 H SER 972 0.943 -12.001 5.053 419 HA SER 972 HA SER 972 1.282 -14.312 3.509 420 1HB SER 972 HB1 SER 972 2.623 -12.677 2.070 421 2HB SER 972 HB2 SER 972 0.916 -12.309 2.356 422 HG SER 972 HG SER 972 2.967 -11.271 4.014 423 H LEU 973 H LEU 973 3.273 -12.809 5.909 424 HA LEU 973 HA LEU 973 5.809 -13.594 5.092 425 1HB LEU 973 HB1 LEU 973 5.355 -12.084 6.994 426 2HB LEU 973 HB2 LEU 973 4.817 -13.459 7.939 427 HG LEU 973 HG LEU 973 7.075 -14.436 7.798 428 1HD1 LEU 973 1HD1 LEU 973 8.926 -13.050 6.959 429 2HD1 LEU 973 2HD1 LEU 973 7.796 -13.504 5.683 430 3HD1 LEU 973 3HD1 LEU 973 7.756 -11.874 6.362 431 1HD2 LEU 973 1HD2 LEU 973 6.457 -13.000 9.685 432 2HD2 LEU 973 2HD2 LEU 973 8.171 -12.869 9.294 433 3HD2 LEU 973 3HD2 LEU 973 7.053 -11.595 8.805 434 HA PRO 974 HA PRO 974 5.218 -17.959 7.208 435 1HB PRO 974 HB1 PRO 974 2.253 -18.093 7.267 436 2HB PRO 974 HB2 PRO 974 3.432 -18.737 8.417 437 1HG PRO 974 HG1 PRO 974 2.001 -16.575 9.011 438 2HG PRO 974 HG2 PRO 974 3.708 -16.695 9.476 439 1HD PRO 974 HD1 PRO 974 2.465 -15.184 7.213 440 2HD PRO 974 HD2 PRO 974 3.777 -14.698 8.305 441 H VAL 975 H VAL 975 2.989 -16.433 4.975 442 HA VAL 975 HA VAL 975 2.760 -18.745 3.251 443 HB VAL 975 HB VAL 975 2.295 -15.851 2.522 444 1HG1 VAL 975 1HG1 VAL 975 0.835 -16.773 0.792 445 2HG1 VAL 975 2HG1 VAL 975 2.495 -17.339 0.603 446 3HG1 VAL 975 3HG1 VAL 975 1.272 -18.406 1.293 447 1HG2 VAL 975 1HG2 VAL 975 0.370 -17.887 3.642 448 2HG2 VAL 975 2HG2 VAL 975 0.943 -16.431 4.452 449 3HG2 VAL 975 3HG2 VAL 975 -0.077 -16.300 3.018 450 H LEU 976 H LEU 976 5.232 -16.494 3.847 451 HA LEU 976 HA LEU 976 6.457 -16.511 1.286 452 1HB LEU 976 HB1 LEU 976 7.019 -14.697 2.621 453 2HB LEU 976 HB2 LEU 976 7.386 -15.691 4.016 454 HG LEU 976 HG LEU 976 9.139 -15.902 1.593 455 1HD1 LEU 976 1HD1 LEU 976 10.498 -14.032 2.437 456 2HD1 LEU 976 2HD1 LEU 976 8.904 -13.505 1.898 457 3HD1 LEU 976 3HD1 LEU 976 9.243 -13.670 3.621 458 1HD2 LEU 976 1HD2 LEU 976 9.689 -15.966 4.560 459 2HD2 LEU 976 2HD2 LEU 976 9.504 -17.379 3.520 460 3HD2 LEU 976 3HD2 LEU 976 10.859 -16.275 3.277 461 HA PRO 977 HA PRO 977 9.243 -20.104 3.016 462 1HB PRO 977 HB1 PRO 977 7.481 -21.180 5.144 463 2HB PRO 977 HB2 PRO 977 9.241 -21.026 5.113 464 1HG PRO 977 HG1 PRO 977 7.751 -19.407 6.619 465 2HG PRO 977 HG2 PRO 977 9.195 -18.813 5.777 466 1HD PRO 977 HD1 PRO 977 6.309 -18.490 5.052 467 2HD PRO 977 HD2 PRO 977 7.634 -17.313 4.953 468 H ALA 978 H ALA 978 5.744 -20.050 3.090 469 HA ALA 978 HA ALA 978 5.335 -22.634 2.010 470 1HB ALA 978 HB1 ALA 978 3.558 -20.209 1.804 471 2HB ALA 978 HB2 ALA 978 3.075 -21.883 1.535 472 3HB ALA 978 HB3 ALA 978 3.572 -21.355 3.143 473 H SER 979 H SER 979 5.038 -19.443 0.363 474 HA SER 979 HA SER 979 6.247 -20.450 -2.041 475 1HB SER 979 HB1 SER 979 3.248 -20.224 -1.849 476 2HB SER 979 HB2 SER 979 4.091 -20.126 -3.400 477 HG SER 979 HG SER 979 4.815 -22.249 -1.766 478 H THR 980 H THR 980 4.382 -17.910 -0.470 479 HA THR 980 HA THR 980 4.306 -16.104 -2.609 480 HB THR 980 HB THR 980 2.960 -16.053 -0.389 481 HG1 THR 980 HG1 THR 980 3.165 -13.506 -0.854 482 1HG2 THR 980 1HG2 THR 980 4.909 -15.676 1.082 483 2HG2 THR 980 2HG2 THR 980 5.211 -14.145 0.261 484 3HG2 THR 980 3HG2 THR 980 3.728 -14.369 1.189 485 H HIS 981 H HIS 981 7.029 -16.948 -0.811 486 HA HIS 981 HA HIS 981 8.313 -14.596 -0.221 487 1HB HIS 981 HB1 HIS 981 10.450 -15.810 -0.381 488 2HB HIS 981 HB2 HIS 981 9.228 -16.707 0.503 489 HD1 HIS 981 HD1 HIS 981 8.863 -19.055 -0.199 490 HD2 HIS 981 HD2 HIS 981 10.891 -16.853 -3.085 491 HE1 HIS 981 HE1 HIS 981 9.554 -20.717 -1.960 492 HE2 HIS 981 HE2 HIS 981 10.990 -19.397 -3.556 493 H ARG 982 H ARG 982 7.712 -15.769 -3.385 494 HA ARG 982 HA ARG 982 9.818 -14.267 -4.654 495 1HB ARG 982 HB1 ARG 982 8.874 -16.166 -5.833 496 2HB ARG 982 HB2 ARG 982 7.276 -15.437 -5.796 497 1HG ARG 982 HG1 ARG 982 8.149 -15.161 -7.988 498 2HG ARG 982 HG2 ARG 982 8.164 -13.582 -7.209 499 1HD ARG 982 HD1 ARG 982 10.568 -15.395 -7.390 500 2HD ARG 982 HD2 ARG 982 10.211 -14.122 -8.550 501 HE ARG 982 HE ARG 982 10.983 -13.734 -5.734 502 1HH1 ARG 982 2HH1 ARG 982 10.449 -12.412 -8.954 503 2HH1 ARG 982 1HH1 ARG 982 11.196 -10.888 -8.569 504 1HH2 ARG 982 2HH2 ARG 982 11.940 -11.732 -5.255 505 2HH2 ARG 982 1HH2 ARG 982 12.029 -10.495 -6.481 506 H GLU 983 H GLU 983 6.263 -13.755 -4.395 507 HA GLU 983 HA GLU 983 6.508 -11.097 -5.410 508 1HB GLU 983 HB1 GLU 983 4.269 -12.754 -4.514 509 2HB GLU 983 HB2 GLU 983 4.085 -11.048 -4.202 510 1HG GLU 983 HG1 GLU 983 3.149 -11.348 -6.280 511 2HG GLU 983 HG2 GLU 983 4.750 -10.666 -6.583 512 H ILE 984 H ILE 984 6.069 -12.421 -2.164 513 HA ILE 984 HA ILE 984 5.401 -10.004 -0.940 514 HB ILE 984 HB ILE 984 5.167 -12.231 0.130 515 1HG1 ILE 984 1HG1 ILE 984 5.749 -11.471 2.407 516 2HG1 ILE 984 2HG1 ILE 984 6.751 -10.195 1.724 517 1HG2 ILE 984 1HG2 ILE 984 7.344 -13.156 -0.459 518 2HG2 ILE 984 2HG2 ILE 984 8.141 -11.982 0.590 519 3HG2 ILE 984 3HG2 ILE 984 7.086 -13.214 1.285 520 1HD1 ILE 984 1HD1 ILE 984 3.768 -10.468 1.425 521 2HD1 ILE 984 2HD1 ILE 984 4.623 -9.313 2.449 522 3HD1 ILE 984 3HD1 ILE 984 4.760 -9.206 0.694 523 H GLU 985 H GLU 985 8.470 -11.343 -1.864 524 HA GLU 985 HA GLU 985 10.056 -9.309 -0.668 525 1HB GLU 985 HB1 GLU 985 10.551 -11.365 -2.800 526 2HB GLU 985 HB2 GLU 985 11.752 -10.135 -2.425 527 1HG GLU 985 HG1 GLU 985 10.586 -11.926 -0.321 528 2HG GLU 985 HG2 GLU 985 11.995 -12.382 -1.279 529 H MET 986 H MET 986 8.564 -9.712 -3.907 530 HA MET 986 HA MET 986 10.155 -7.721 -5.096 531 1HB MET 986 HB1 MET 986 8.772 -7.823 -7.027 532 2HB MET 986 HB2 MET 986 8.997 -9.449 -6.412 533 1HG MET 986 HG1 MET 986 6.788 -9.546 -5.596 534 2HG MET 986 HG2 MET 986 6.554 -7.812 -5.822 535 1HE MET 986 HE1 MET 986 8.399 -10.189 -8.302 536 2HE MET 986 HE2 MET 986 7.134 -11.253 -7.685 537 3HE MET 986 HE3 MET 986 7.095 -10.716 -9.365 538 H ALA 987 H ALA 987 6.787 -7.535 -3.962 539 HA ALA 987 HA ALA 987 6.625 -4.767 -4.604 540 1HB ALA 987 HB1 ALA 987 4.653 -6.206 -4.660 541 2HB ALA 987 HB2 ALA 987 4.777 -6.434 -2.915 542 3HB ALA 987 HB3 ALA 987 4.437 -4.833 -3.573 543 H GLN 988 H GLN 988 7.297 -6.631 -1.679 544 HA GLN 988 HA GLN 988 6.843 -4.565 0.138 545 1HB GLN 988 HB1 GLN 988 7.136 -6.843 0.897 546 2HB GLN 988 HB2 GLN 988 8.797 -6.864 0.328 547 1HG GLN 988 HG1 GLN 988 8.735 -6.629 2.725 548 2HG GLN 988 HG2 GLN 988 9.381 -5.165 1.990 549 1HE2 GLN 988 2HE2 GLN 988 6.696 -6.578 3.676 550 2HE2 GLN 988 1HE2 GLN 988 5.930 -5.093 4.112 551 H LYS 989 H LYS 989 9.829 -5.363 -1.670 552 HA LYS 989 HA LYS 989 11.462 -3.396 -0.472 553 1HB LYS 989 HB1 LYS 989 11.618 -4.103 -3.399 554 2HB LYS 989 HB2 LYS 989 12.920 -3.594 -2.339 555 1HG LYS 989 HG1 LYS 989 11.506 -6.245 -2.318 556 2HG LYS 989 HG2 LYS 989 13.148 -5.923 -2.865 557 1HD LYS 989 HD1 LYS 989 13.758 -5.268 -0.571 558 2HD LYS 989 HD2 LYS 989 12.119 -5.660 -0.042 559 1HE LYS 989 HE1 LYS 989 12.479 -7.978 -0.907 560 2HE LYS 989 HE2 LYS 989 14.161 -7.549 -1.212 561 1HZ LYS 989 HZ1 LYS 989 14.333 -7.016 1.199 562 2HZ LYS 989 HZ2 LYS 989 12.781 -7.667 1.408 563 3HZ LYS 989 HZ3 LYS 989 14.043 -8.654 0.864 564 H LEU 990 H LEU 990 9.249 -3.376 -3.179 565 HA LEU 990 HA LEU 990 9.627 -0.703 -3.990 566 1HB LEU 990 HB1 LEU 990 8.592 -1.743 -5.672 567 2HB LEU 990 HB2 LEU 990 7.951 -2.981 -4.616 568 HG LEU 990 HG LEU 990 6.116 -1.372 -4.009 569 1HD1 LEU 990 1HD1 LEU 990 5.673 0.431 -5.639 570 2HD1 LEU 990 2HD1 LEU 990 7.170 0.702 -4.745 571 3HD1 LEU 990 3HD1 LEU 990 7.229 0.104 -6.404 572 1HD2 LEU 990 1HD2 LEU 990 4.870 -1.808 -6.085 573 2HD2 LEU 990 2HD2 LEU 990 6.376 -2.298 -6.862 574 3HD2 LEU 990 3HD2 LEU 990 5.746 -3.223 -5.499 575 H LEU 991 H LEU 991 7.419 -2.192 -1.656 576 HA LEU 991 HA LEU 991 5.747 0.025 -1.168 577 1HB LEU 991 HB1 LEU 991 6.617 -2.016 0.875 578 2HB LEU 991 HB2 LEU 991 5.158 -1.048 0.902 579 HG LEU 991 HG LEU 991 5.707 -3.091 -1.225 580 1HD1 LEU 991 1HD1 LEU 991 5.721 -4.203 0.942 581 2HD1 LEU 991 2HD1 LEU 991 4.204 -3.412 1.374 582 3HD1 LEU 991 3HD1 LEU 991 4.241 -4.590 0.063 583 1HD2 LEU 991 1HD2 LEU 991 3.176 -1.770 -0.257 584 2HD2 LEU 991 2HD2 LEU 991 4.029 -1.407 -1.757 585 3HD2 LEU 991 3HD2 LEU 991 3.285 -2.988 -1.527 586 H ASN 992 H ASN 992 8.727 -1.088 0.347 587 HA ASN 992 HA ASN 992 8.854 0.761 2.424 588 1HB ASN 992 HB1 ASN 992 10.259 -1.259 2.291 589 2HB ASN 992 HB2 ASN 992 11.133 -0.555 0.934 590 1HD2 ASN 992 2HD2 ASN 992 10.055 1.275 3.724 591 2HD2 ASN 992 1HD2 ASN 992 11.629 1.600 4.361 592 H SER 993 H SER 993 10.171 0.907 -0.865 593 HA SER 993 HA SER 993 11.466 3.397 -0.449 594 1HB SER 993 HB1 SER 993 11.536 3.356 -3.030 595 2HB SER 993 HB2 SER 993 12.386 2.083 -2.156 596 HG SER 993 HG SER 993 9.855 1.927 -3.447 597 H ASP 994 H ASP 994 8.248 2.496 -1.601 598 HA ASP 994 HA ASP 994 7.912 5.178 -2.691 599 1HB ASP 994 HB1 ASP 994 6.354 2.638 -3.029 600 2HB ASP 994 HB2 ASP 994 5.708 4.190 -3.556 601 H LEU 995 H LEU 995 6.242 3.116 -0.257 602 HA LEU 995 HA LEU 995 4.480 5.115 0.642 603 1HB LEU 995 HB1 LEU 995 4.144 2.876 1.418 604 2HB LEU 995 HB2 LEU 995 5.761 2.782 2.078 605 HG LEU 995 HG LEU 995 3.832 2.933 3.711 606 1HD1 LEU 995 1HD1 LEU 995 5.008 4.404 5.264 607 2HD1 LEU 995 2HD1 LEU 995 6.112 3.311 4.431 608 3HD1 LEU 995 3HD1 LEU 995 6.006 5.001 3.939 609 1HD2 LEU 995 1HD2 LEU 995 2.497 4.603 2.617 610 2HD2 LEU 995 2HD2 LEU 995 2.992 5.189 4.204 611 3HD2 LEU 995 3HD2 LEU 995 3.798 5.786 2.755 612 H ALA 996 H ALA 996 7.821 4.428 1.438 613 HA ALA 996 HA ALA 996 8.146 6.283 3.505 614 1HB ALA 996 HB1 ALA 996 10.533 6.232 3.075 615 2HB ALA 996 HB2 ALA 996 9.856 4.607 2.972 616 3HB ALA 996 HB3 ALA 996 10.248 5.494 1.499 617 H GLU 997 H GLU 997 8.830 6.766 0.023 618 HA GLU 997 HA GLU 997 9.310 9.508 0.449 619 1HB GLU 997 HB1 GLU 997 9.100 9.751 -2.023 620 2HB GLU 997 HB2 GLU 997 10.283 8.573 -1.484 621 1HG GLU 997 HG1 GLU 997 8.590 6.799 -1.936 622 2HG GLU 997 HG2 GLU 997 7.576 8.047 -2.666 623 H LEU 998 H LEU 998 6.400 7.680 -0.091 624 HA LEU 998 HA LEU 998 4.658 9.763 -0.781 625 1HB LEU 998 HB1 LEU 998 3.913 7.451 -0.771 626 2HB LEU 998 HB2 LEU 998 4.145 7.356 0.967 627 HG LEU 998 HG LEU 998 2.423 9.494 0.687 628 1HD1 LEU 998 1HD1 LEU 998 0.607 8.709 -0.728 629 2HD1 LEU 998 2HD1 LEU 998 2.075 8.997 -1.663 630 3HD1 LEU 998 3HD1 LEU 998 1.598 7.350 -1.255 631 1HD2 LEU 998 1HD2 LEU 998 1.784 6.598 1.217 632 2HD2 LEU 998 2HD2 LEU 998 2.305 7.793 2.404 633 3HD2 LEU 998 3HD2 LEU 998 0.743 7.967 1.606 634 H ILE 999 H ILE 999 5.621 8.600 2.468 635 HA ILE 999 HA ILE 999 4.116 10.653 3.778 636 HB ILE 999 HB ILE 999 5.286 9.958 5.852 637 1HG1 ILE 999 1HG1 ILE 999 6.655 7.964 4.034 638 2HG1 ILE 999 2HG1 ILE 999 7.437 9.316 4.846 639 1HG2 ILE 999 1HG2 ILE 999 3.210 8.888 5.124 640 2HG2 ILE 999 2HG2 ILE 999 4.141 7.695 4.219 641 3HG2 ILE 999 3HG2 ILE 999 4.258 7.753 5.977 642 1HD1 ILE 999 1HD1 ILE 999 7.874 7.244 6.006 643 2HD1 ILE 999 2HD1 ILE 999 6.891 8.310 7.010 644 3HD1 ILE 999 3HD1 ILE 999 6.144 6.948 6.176 645 H ASN1000 H ASN1000 7.380 10.454 2.565 646 HA ASN1000 HA ASN1000 8.082 13.018 3.788 647 1HB ASN1000 HB1 ASN1000 9.531 11.238 1.807 648 2HB ASN1000 HB2 ASN1000 10.141 12.804 2.331 649 1HD2 ASN1000 2HD2 ASN1000 9.588 9.506 3.205 650 2HD2 ASN1000 1HD2 ASN1000 10.468 9.543 4.689 651 H LYS1001 H LYS1001 6.197 12.033 1.259 652 HA LYS1001 HA LYS1001 6.680 14.314 -0.424 653 1HB LYS1001 HB1 LYS1001 5.764 12.255 -1.379 654 2HB LYS1001 HB2 LYS1001 4.365 12.369 -0.322 655 1HG LYS1001 HG1 LYS1001 3.839 14.559 -1.439 656 2HG LYS1001 HG2 LYS1001 5.096 14.166 -2.613 657 1HD LYS1001 HD1 LYS1001 3.091 13.440 -3.601 658 2HD LYS1001 HD2 LYS1001 3.853 11.976 -2.980 659 1HE LYS1001 HE1 LYS1001 1.764 13.509 -1.443 660 2HE LYS1001 HE2 LYS1001 1.361 12.220 -2.575 661 1HZ LYS1001 HZ1 LYS1001 1.470 11.418 -0.304 662 2HZ LYS1001 HZ2 LYS1001 2.669 10.694 -1.249 663 3HZ LYS1001 HZ3 LYS1001 3.079 11.928 -0.169 664 H MET1002 H MET1002 4.405 13.379 2.114 665 HA MET1002 HA MET1002 3.008 15.873 2.052 666 1HB MET1002 HB1 MET1002 2.012 15.195 4.160 667 2HB MET1002 HB2 MET1002 1.937 13.879 3.005 668 1HG MET1002 HG1 MET1002 2.533 12.764 4.904 669 2HG MET1002 HG2 MET1002 4.119 13.091 4.209 670 1HE MET1002 HE1 MET1002 3.443 12.324 7.324 671 2HE MET1002 HE2 MET1002 5.072 12.480 6.664 672 3HE MET1002 HE3 MET1002 4.621 13.361 8.125 673 H LYS1003 H LYS1003 5.644 14.429 3.836 674 HA LYS1003 HA LYS1003 6.344 16.544 5.475 675 1HB LYS1003 HB1 LYS1003 7.410 14.295 5.478 676 2HB LYS1003 HB2 LYS1003 8.174 14.676 3.945 677 1HG LYS1003 HG1 LYS1003 9.833 14.991 5.556 678 2HG LYS1003 HG2 LYS1003 9.280 16.616 5.150 679 1HD LYS1003 HD1 LYS1003 7.975 16.749 7.145 680 2HD LYS1003 HD2 LYS1003 8.257 15.043 7.506 681 1HE LYS1003 HE1 LYS1003 10.657 15.516 7.756 682 2HE LYS1003 HE2 LYS1003 10.344 17.222 7.437 683 1HZ LYS1003 HZ1 LYS1003 9.222 15.670 9.709 684 2HZ LYS1003 HZ2 LYS1003 10.529 16.748 9.808 685 3HZ LYS1003 HZ3 LYS1003 8.983 17.323 9.409 686 H LEU1004 H LEU1004 7.645 15.768 2.264 687 HA LEU1004 HA LEU1004 9.006 18.068 1.726 688 1HB LEU1004 HB1 LEU1004 8.691 15.818 0.419 689 2HB LEU1004 HB2 LEU1004 7.498 16.739 -0.473 690 HG LEU1004 HG LEU1004 9.259 18.382 -1.064 691 1HD1 LEU1004 1HD1 LEU1004 10.767 18.037 0.801 692 2HD1 LEU1004 2HD1 LEU1004 11.085 16.387 0.267 693 3HD1 LEU1004 3HD1 LEU1004 11.608 17.750 -0.723 694 1HD2 LEU1004 1HD2 LEU1004 10.389 16.953 -2.696 695 2HD2 LEU1004 2HD2 LEU1004 9.845 15.522 -1.820 696 3HD2 LEU1004 3HD2 LEU1004 8.667 16.580 -2.599 697 H ALA1005 H ALA1005 5.637 17.462 0.654 698 HA ALA1005 HA ALA1005 5.297 19.908 -0.649 699 1HB ALA1005 HB1 ALA1005 3.757 18.037 -0.923 700 2HB ALA1005 HB2 ALA1005 3.203 18.235 0.739 701 3HB ALA1005 HB3 ALA1005 2.892 19.499 -0.452 702 H GLN1006 H GLN1006 4.513 18.995 2.686 703 HA GLN1006 HA GLN1006 3.679 21.644 3.389 704 1HB GLN1006 HB1 GLN1006 2.929 20.669 5.290 705 2HB GLN1006 HB2 GLN1006 3.181 19.189 4.375 706 1HG GLN1006 HG1 GLN1006 4.394 18.498 6.096 707 2HG GLN1006 HG2 GLN1006 5.636 19.615 5.533 708 1HE2 GLN1006 2HE2 GLN1006 6.413 19.957 7.620 709 2HE2 GLN1006 1HE2 GLN1006 5.547 20.895 8.786 710 H GLN1007 H GLN1007 6.640 20.095 3.014 711 HA GLN1007 HA GLN1007 8.164 21.590 4.924 712 1HB GLN1007 HB1 GLN1007 8.554 19.260 3.599 713 2HB GLN1007 HB2 GLN1007 9.466 20.357 2.574 714 1HG GLN1007 HG1 GLN1007 10.853 19.255 4.242 715 2HG GLN1007 HG2 GLN1007 10.843 21.011 4.457 716 1HE2 GLN1007 2HE2 GLN1007 8.133 18.982 5.376 717 2HE2 GLN1007 1HE2 GLN1007 8.354 19.161 7.094 718 H TYR1008 H TYR1008 7.209 21.881 1.618 719 HA TYR1008 HA TYR1008 8.822 24.328 1.315 720 1HB TYR1008 HB1 TYR1008 9.620 22.559 -0.126 721 2HB TYR1008 HB2 TYR1008 7.996 22.233 -0.701 722 HD1 TYR1008 HD1 TYR1008 10.472 25.034 -0.603 723 HD2 TYR1008 HD2 TYR1008 7.389 23.029 -2.761 724 HE1 TYR1008 HE1 TYR1008 10.860 26.520 -2.522 725 HE2 TYR1008 HE2 TYR1008 7.773 24.520 -4.686 726 HH TYR1008 HH TYR1008 10.493 26.420 -5.027 727 H VAL1009 H VAL1009 5.948 23.649 2.228 728 HA VAL1009 HA VAL1009 4.130 24.719 0.428 729 HB VAL1009 HB VAL1009 3.369 23.541 2.394 730 1HG1 VAL1009 1HG1 VAL1009 4.348 25.893 4.013 731 2HG1 VAL1009 2HG1 VAL1009 3.430 24.516 4.627 732 3HG1 VAL1009 3HG1 VAL1009 5.058 24.278 3.993 733 1HG2 VAL1009 1HG2 VAL1009 2.427 26.405 2.350 734 2HG2 VAL1009 2HG2 VAL1009 1.813 25.073 1.370 735 3HG2 VAL1009 3HG2 VAL1009 1.575 25.063 3.116 736 H MET1010 H MET1010 4.788 26.466 -0.642 737 HA MET1010 HA MET1010 5.184 28.950 0.887 738 1HB MET1010 HB1 MET1010 7.171 28.092 -0.424 739 2HB MET1010 HB2 MET1010 6.228 28.328 -1.887 740 1HG MET1010 HG1 MET1010 6.085 30.716 -1.419 741 2HG MET1010 HG2 MET1010 7.013 30.486 0.061 742 1HE MET1010 HE1 MET1010 10.496 29.363 -1.335 743 2HE MET1010 HE2 MET1010 9.581 29.790 0.113 744 3HE MET1010 HE3 MET1010 9.158 28.346 -0.805 745 H THR1011 H THR1011 2.682 28.161 0.492 746 HA THR1011 HA THR1011 0.649 28.721 -0.301 747 HB THR1011 HB THR1011 1.983 31.191 -1.413 748 HG1 THR1011 HG1 THR1011 1.785 30.312 1.143 749 1HG2 THR1011 1HG2 THR1011 -0.825 30.675 -0.415 750 2HG2 THR1011 2HG2 THR1011 -0.198 32.230 -0.961 751 3HG2 THR1011 3HG2 THR1011 -0.346 30.892 -2.099 752 H SER1012 H SER1012 2.126 30.445 -2.996 753 HA SER1012 HA SER1012 0.605 28.781 -4.811 754 1HB SER1012 HB1 SER1012 2.304 31.232 -5.331 755 2HB SER1012 HB2 SER1012 1.261 30.445 -6.516 756 HG SER1012 HG SER1012 -0.524 30.935 -5.185 757 H LEU1013 H LEU1013 3.942 29.296 -3.909 758 HA LEU1013 HA LEU1013 5.027 27.949 -6.209 759 1HB LEU1013 HB1 LEU1013 6.286 28.762 -3.586 760 2HB LEU1013 HB2 LEU1013 7.168 27.995 -4.889 761 HG LEU1013 HG LEU1013 7.633 30.319 -5.006 762 1HD1 LEU1013 1HD1 LEU1013 5.557 29.683 -7.093 763 2HD1 LEU1013 2HD1 LEU1013 6.811 30.919 -7.204 764 3HD1 LEU1013 3HD1 LEU1013 7.255 29.212 -7.151 765 1HD2 LEU1013 1HD2 LEU1013 5.773 31.140 -3.662 766 2HD2 LEU1013 2HD2 LEU1013 5.902 32.031 -5.179 767 3HD2 LEU1013 3HD2 LEU1013 4.657 30.798 -4.984 768 H GLN1014 H GLN1014 3.458 26.940 -3.485 769 HA GLN1014 HA GLN1014 4.898 24.591 -2.815 770 1HB GLN1014 HB1 GLN1014 3.313 25.702 -1.297 771 2HB GLN1014 HB2 GLN1014 1.992 25.312 -2.384 772 1HG GLN1014 HG1 GLN1014 3.565 23.015 -1.441 773 2HG GLN1014 HG2 GLN1014 2.655 23.881 -0.205 774 1HE2 GLN1014 2HE2 GLN1014 2.468 21.887 -3.021 775 2HE2 GLN1014 1HE2 GLN1014 0.767 21.585 -2.940 776 H GLN1015 H GLN1015 2.805 25.419 -5.387 777 HA GLN1015 HA GLN1015 1.554 22.973 -5.926 778 1HB GLN1015 HB1 GLN1015 0.725 24.966 -6.924 779 2HB GLN1015 HB2 GLN1015 2.267 25.295 -7.681 780 1HG GLN1015 HG1 GLN1015 1.977 23.316 -9.107 781 2HG GLN1015 HG2 GLN1015 0.402 23.040 -8.365 782 1HE2 GLN1015 2HE2 GLN1015 2.258 25.081 -10.477 783 2HE2 GLN1015 1HE2 GLN1015 0.915 25.909 -11.183 784 H GLU1016 H GLU1016 4.699 24.218 -7.112 785 HA GLU1016 HA GLU1016 5.577 22.201 -8.629 786 1HB GLU1016 HB1 GLU1016 7.089 23.954 -7.979 787 2HB GLU1016 HB2 GLU1016 7.071 23.422 -6.303 788 1HG GLU1016 HG1 GLU1016 8.177 21.340 -6.955 789 2HG GLU1016 HG2 GLU1016 8.200 21.881 -8.632 790 H TYR1017 H TYR1017 5.261 21.962 -5.104 791 HA TYR1017 HA TYR1017 6.093 19.180 -5.177 792 1HB TYR1017 HB1 TYR1017 5.492 21.130 -2.974 793 2HB TYR1017 HB2 TYR1017 5.579 19.407 -2.634 794 HD1 TYR1017 HD1 TYR1017 7.474 20.191 -1.069 795 HD2 TYR1017 HD2 TYR1017 7.708 20.391 -5.318 796 HE1 TYR1017 HE1 TYR1017 9.923 20.332 -0.937 797 HE2 TYR1017 HE2 TYR1017 10.155 20.537 -5.185 798 HH TYR1017 HH TYR1017 11.852 21.269 -3.536 799 H LYS1018 H LYS1018 3.277 20.933 -5.546 800 HA LYS1018 HA LYS1018 1.398 18.917 -4.764 801 1HB LYS1018 HB1 LYS1018 0.378 20.983 -4.911 802 2HB LYS1018 HB2 LYS1018 1.334 21.478 -6.294 803 1HG LYS1018 HG1 LYS1018 -0.830 21.300 -7.115 804 2HG LYS1018 HG2 LYS1018 -0.050 19.806 -7.632 805 1HD LYS1018 HD1 LYS1018 -1.077 18.636 -5.729 806 2HD LYS1018 HD2 LYS1018 -1.884 20.136 -5.258 807 1HE LYS1018 HE1 LYS1018 -2.985 20.187 -7.474 808 2HE LYS1018 HE2 LYS1018 -2.244 18.633 -7.848 809 1HZ LYS1018 HZ1 LYS1018 -4.220 19.193 -5.699 810 2HZ LYS1018 HZ2 LYS1018 -4.471 18.283 -7.111 811 3HZ LYS1018 HZ3 LYS1018 -3.429 17.703 -5.910 812 H LYS1019 H LYS1019 3.372 19.579 -7.565 813 HA LYS1019 HA LYS1019 2.085 17.718 -9.305 814 1HB LYS1019 HB1 LYS1019 4.905 18.815 -9.335 815 2HB LYS1019 HB2 LYS1019 4.172 17.889 -10.640 816 1HG LYS1019 HG1 LYS1019 2.515 19.625 -10.981 817 2HG LYS1019 HG2 LYS1019 3.170 20.540 -9.621 818 1HD LYS1019 HD1 LYS1019 5.288 20.800 -10.791 819 2HD LYS1019 HD2 LYS1019 4.676 19.848 -12.146 820 1HE LYS1019 HE1 LYS1019 3.548 22.475 -11.182 821 2HE LYS1019 HE2 LYS1019 4.590 22.266 -12.586 822 1HZ LYS1019 HZ1 LYS1019 2.884 20.871 -13.593 823 2HZ LYS1019 HZ2 LYS1019 1.880 21.092 -12.244 824 3HZ LYS1019 HZ3 LYS1019 2.275 22.412 -13.231 825 H GLN1020 H GLN1020 5.273 17.524 -7.707 826 HA GLN1020 HA GLN1020 5.679 14.842 -7.645 827 1HB GLN1020 HB1 GLN1020 6.242 16.917 -5.551 828 2HB GLN1020 HB2 GLN1020 6.618 15.227 -5.244 829 1HG GLN1020 HG1 GLN1020 8.591 16.301 -6.030 830 2HG GLN1020 HG2 GLN1020 8.013 15.219 -7.293 831 1HE2 GLN1020 2HE2 GLN1020 8.545 18.500 -6.355 832 2HE2 GLN1020 1HE2 GLN1020 8.244 19.213 -7.898 833 H MET1021 H MET1021 3.404 16.601 -5.616 834 HA MET1021 HA MET1021 2.585 14.650 -3.854 835 1HB MET1021 HB1 MET1021 1.637 16.732 -3.490 836 2HB MET1021 HB2 MET1021 1.207 16.946 -5.178 837 1HG MET1021 HG1 MET1021 -0.778 16.684 -3.867 838 2HG MET1021 HG2 MET1021 -0.579 15.284 -4.916 839 1HE MET1021 HE1 MET1021 -2.318 13.861 -3.566 840 2HE MET1021 HE2 MET1021 -2.317 13.739 -1.808 841 3HE MET1021 HE3 MET1021 -2.617 15.295 -2.584 842 H LEU1022 H LEU1022 1.389 15.180 -7.169 843 HA LEU1022 HA LEU1022 -0.450 13.020 -7.077 844 1HB LEU1022 HB1 LEU1022 -0.744 14.831 -8.654 845 2HB LEU1022 HB2 LEU1022 0.794 14.470 -9.412 846 HG LEU1022 HG LEU1022 -0.108 12.307 -10.193 847 1HD1 LEU1022 1HD1 LEU1022 -2.505 11.861 -10.030 848 2HD1 LEU1022 2HD1 LEU1022 -1.745 11.917 -8.439 849 3HD1 LEU1022 3HD1 LEU1022 -2.700 13.286 -9.009 850 1HD2 LEU1022 1HD2 LEU1022 -1.733 14.735 -10.940 851 2HD2 LEU1022 2HD2 LEU1022 -0.217 14.212 -11.674 852 3HD2 LEU1022 3HD2 LEU1022 -1.670 13.233 -11.862 853 H THR1023 H THR1023 2.756 13.358 -8.576 854 HA THR1023 HA THR1023 2.852 10.819 -9.735 855 HB THR1023 HB THR1023 5.242 12.397 -8.779 856 HG1 THR1023 HG1 THR1023 4.838 13.796 -10.317 857 1HG2 THR1023 1HG2 THR1023 5.723 10.132 -9.598 858 2HG2 THR1023 2HG2 THR1023 4.873 10.495 -11.099 859 3HG2 THR1023 3HG2 THR1023 6.356 11.360 -10.697 860 H ALA1024 H ALA1024 4.033 11.918 -6.562 861 HA ALA1024 HA ALA1024 5.340 9.417 -6.026 862 1HB ALA1024 HB1 ALA1024 5.819 10.336 -3.824 863 2HB ALA1024 HB2 ALA1024 6.197 11.502 -5.094 864 3HB ALA1024 HB3 ALA1024 4.725 11.683 -4.139 865 H ALA1025 H ALA1025 2.204 10.796 -5.253 866 HA ALA1025 HA ALA1025 1.534 8.758 -3.337 867 1HB ALA1025 HB1 ALA1025 0.470 10.966 -3.260 868 2HB ALA1025 HB2 ALA1025 -0.269 10.666 -4.833 869 3HB ALA1025 HB3 ALA1025 -0.726 9.683 -3.442 870 H HIS1026 H HIS1026 1.010 9.290 -6.776 871 HA HIS1026 HA HIS1026 -0.696 7.046 -7.136 872 1HB HIS1026 HB1 HIS1026 -0.667 8.916 -8.723 873 2HB HIS1026 HB2 HIS1026 1.008 8.568 -9.126 874 HD1 HIS1026 HD1 HIS1026 -2.455 7.686 -10.009 875 HD2 HIS1026 HD2 HIS1026 1.360 6.152 -10.647 876 HE1 HIS1026 HE1 HIS1026 -2.686 6.042 -11.900 877 HE2 HIS1026 HE2 HIS1026 -0.341 5.237 -12.361 878 H ALA1027 H ALA1027 2.764 7.511 -7.130 879 HA ALA1027 HA ALA1027 3.444 4.978 -8.214 880 1HB ALA1027 HB1 ALA1027 5.668 5.406 -7.273 881 2HB ALA1027 HB2 ALA1027 5.045 6.797 -8.159 882 3HB ALA1027 HB3 ALA1027 5.021 6.791 -6.394 883 H LEU1028 H LEU1028 2.787 6.149 -4.956 884 HA LEU1028 HA LEU1028 3.359 3.772 -3.551 885 1HB LEU1028 HB1 LEU1028 2.972 5.842 -2.361 886 2HB LEU1028 HB2 LEU1028 1.352 5.955 -3.015 887 HG LEU1028 HG LEU1028 1.606 3.445 -1.624 888 1HD1 LEU1028 1HD1 LEU1028 1.897 4.294 0.634 889 2HD1 LEU1028 2HD1 LEU1028 3.354 4.498 -0.339 890 3HD1 LEU1028 3HD1 LEU1028 2.307 5.880 -0.015 891 1HD2 LEU1028 1HD2 LEU1028 -0.484 4.592 -2.140 892 2HD2 LEU1028 2HD2 LEU1028 -0.314 4.313 -0.406 893 3HD2 LEU1028 3HD2 LEU1028 -0.025 5.920 -1.074 894 H ALA1029 H ALA1029 0.440 5.012 -5.058 895 HA ALA1029 HA ALA1029 -1.262 2.920 -4.472 896 1HB ALA1029 HB1 ALA1029 -2.009 4.977 -5.575 897 2HB ALA1029 HB2 ALA1029 -1.185 4.485 -7.055 898 3HB ALA1029 HB3 ALA1029 -2.553 3.547 -6.453 899 H VAL1030 H VAL1030 1.187 3.135 -7.035 900 HA VAL1030 HA VAL1030 0.751 0.615 -8.170 901 HB VAL1030 HB VAL1030 3.333 2.165 -7.945 902 1HG1 VAL1030 1HG1 VAL1030 2.594 -0.083 -9.821 903 2HG1 VAL1030 2HG1 VAL1030 4.083 0.860 -9.874 904 3HG1 VAL1030 3HG1 VAL1030 3.748 -0.182 -8.491 905 1HG2 VAL1030 1HG2 VAL1030 2.799 2.937 -10.207 906 2HG2 VAL1030 2HG2 VAL1030 1.259 2.080 -10.133 907 3HG2 VAL1030 3HG2 VAL1030 1.572 3.431 -9.042 908 H ASP1031 H ASP1031 2.505 1.507 -5.220 909 HA ASP1031 HA ASP1031 3.761 -1.079 -5.052 910 1HB ASP1031 HB1 ASP1031 4.627 -0.489 -2.912 911 2HB ASP1031 HB2 ASP1031 4.779 0.923 -3.938 912 H ALA1032 H ALA1032 0.921 0.471 -3.692 913 HA ALA1032 HA ALA1032 -0.081 -1.700 -2.217 914 1HB ALA1032 HB1 ALA1032 -2.275 -0.638 -2.528 915 2HB ALA1032 HB2 ALA1032 -1.041 0.543 -2.089 916 3HB ALA1032 HB3 ALA1032 -1.585 0.417 -3.762 917 H LYS1033 H LYS1033 -0.391 -0.794 -5.638 918 HA LYS1033 HA LYS1033 -2.244 -2.784 -6.353 919 1HB LYS1033 HB1 LYS1033 -1.898 -0.829 -7.749 920 2HB LYS1033 HB2 LYS1033 -0.231 -1.299 -8.049 921 1HG LYS1033 HG1 LYS1033 -1.010 -3.304 -9.214 922 2HG LYS1033 HG2 LYS1033 -2.680 -2.816 -8.930 923 1HD LYS1033 HD1 LYS1033 -2.341 -0.807 -10.254 924 2HD LYS1033 HD2 LYS1033 -0.640 -1.228 -10.483 925 1HE LYS1033 HE1 LYS1033 -2.989 -2.874 -11.422 926 2HE LYS1033 HE2 LYS1033 -2.026 -1.801 -12.440 927 1HZ LYS1033 HZ1 LYS1033 -0.131 -3.159 -12.164 928 2HZ LYS1033 HZ2 LYS1033 -0.853 -4.076 -10.933 929 3HZ LYS1033 HZ3 LYS1033 -1.404 -4.213 -12.526 930 H ASN1034 H ASN1034 1.315 -2.761 -6.440 931 HA ASN1034 HA ASN1034 1.413 -5.297 -7.760 932 1HB ASN1034 HB1 ASN1034 3.271 -3.594 -7.841 933 2HB ASN1034 HB2 ASN1034 3.660 -4.039 -6.181 934 1HD2 ASN1034 2HD2 ASN1034 5.715 -4.793 -6.810 935 2HD2 ASN1034 1HD2 ASN1034 5.911 -6.288 -7.646 936 H LEU1035 H LEU1035 1.545 -4.233 -4.402 937 HA LEU1035 HA LEU1035 2.308 -6.851 -3.418 938 1HB LEU1035 HB1 LEU1035 2.947 -4.894 -2.114 939 2HB LEU1035 HB2 LEU1035 1.263 -4.389 -1.977 940 HG LEU1035 HG LEU1035 0.907 -6.632 -0.751 941 1HD1 LEU1035 1HD1 LEU1035 2.888 -7.481 0.400 942 2HD1 LEU1035 2HD1 LEU1035 3.019 -7.658 -1.350 943 3HD1 LEU1035 3HD1 LEU1035 3.898 -6.370 -0.524 944 1HD2 LEU1035 1HD2 LEU1035 0.780 -4.469 0.341 945 2HD2 LEU1035 2HD2 LEU1035 1.603 -5.638 1.375 946 3HD2 LEU1035 3HD2 LEU1035 2.536 -4.426 0.497 947 H LEU1036 H LEU1036 -0.757 -5.141 -3.945 948 HA LEU1036 HA LEU1036 -2.384 -6.909 -2.504 949 1HB LEU1036 HB1 LEU1036 -4.273 -6.086 -3.755 950 2HB LEU1036 HB2 LEU1036 -3.244 -4.748 -3.310 951 HG LEU1036 HG LEU1036 -2.344 -4.975 -5.757 952 1HD1 LEU1036 1HD1 LEU1036 -5.065 -6.249 -6.017 953 2HD1 LEU1036 2HD1 LEU1036 -4.007 -5.760 -7.340 954 3HD1 LEU1036 3HD1 LEU1036 -3.525 -7.072 -6.265 955 1HD2 LEU1036 1HD2 LEU1036 -4.086 -3.435 -6.503 956 2HD2 LEU1036 2HD2 LEU1036 -5.090 -3.900 -5.129 957 3HD2 LEU1036 3HD2 LEU1036 -3.562 -3.061 -4.861 958 H ASP1037 H ASP1037 -1.097 -6.933 -5.670 959 HA ASP1037 HA ASP1037 -2.346 -9.373 -6.507 960 1HB ASP1037 HB1 ASP1037 -1.629 -7.717 -8.156 961 2HB ASP1037 HB2 ASP1037 0.038 -7.870 -7.613 962 H VAL1038 H VAL1038 0.744 -8.388 -5.191 963 HA VAL1038 HA VAL1038 2.181 -10.737 -5.111 964 HB VAL1038 HB VAL1038 2.016 -8.373 -3.274 965 1HG1 VAL1038 1HG1 VAL1038 2.522 -10.240 -1.794 966 2HG1 VAL1038 2HG1 VAL1038 3.846 -10.729 -2.854 967 3HG1 VAL1038 3HG1 VAL1038 3.927 -9.190 -1.995 968 1HG2 VAL1038 1HG2 VAL1038 4.199 -9.449 -5.046 969 2HG2 VAL1038 2HG2 VAL1038 3.126 -8.101 -5.418 970 3HG2 VAL1038 3HG2 VAL1038 4.282 -7.968 -4.093 971 H ILE1039 H ILE1039 0.107 -9.504 -2.557 972 HA ILE1039 HA ILE1039 0.292 -11.970 -1.098 973 HB ILE1039 HB ILE1039 -1.028 -10.791 0.647 974 1HG1 ILE1039 1HG1 ILE1039 -0.913 -8.585 -1.397 975 2HG1 ILE1039 2HG1 ILE1039 -2.310 -9.197 -0.519 976 1HG2 ILE1039 1HG2 ILE1039 0.810 -9.293 1.294 977 2HG2 ILE1039 2HG2 ILE1039 1.396 -10.847 0.704 978 3HG2 ILE1039 3HG2 ILE1039 1.478 -9.424 -0.334 979 1HD1 ILE1039 1HD1 ILE1039 -1.484 -8.206 1.528 980 2HD1 ILE1039 2HD1 ILE1039 -0.037 -7.641 0.691 981 3HD1 ILE1039 3HD1 ILE1039 -1.618 -6.990 0.259 982 H ASP1040 H ASP1040 -2.231 -10.283 -2.961 983 HA ASP1040 HA ASP1040 -4.181 -12.244 -2.537 984 1HB ASP1040 HB1 ASP1040 -4.759 -10.379 -3.955 985 2HB ASP1040 HB2 ASP1040 -3.509 -10.814 -5.117 986 H GLN1041 H GLN1041 -1.335 -12.251 -4.644 987 HA GLN1041 HA GLN1041 -1.735 -14.934 -5.488 988 1HB GLN1041 HB1 GLN1041 0.666 -13.149 -5.455 989 2HB GLN1041 HB2 GLN1041 0.851 -14.871 -5.767 990 1HG GLN1041 HG1 GLN1041 -0.782 -14.648 -7.625 991 2HG GLN1041 HG2 GLN1041 -0.778 -12.905 -7.359 992 1HE2 GLN1041 2HE2 GLN1041 0.996 -11.701 -7.968 993 2HE2 GLN1041 1HE2 GLN1041 2.272 -12.345 -8.941 994 H ALA1042 H ALA1042 -0.127 -13.452 -2.711 995 HA ALA1042 HA ALA1042 0.994 -15.667 -1.546 996 1HB ALA1042 HB1 ALA1042 0.746 -14.577 0.604 997 2HB ALA1042 HB2 ALA1042 1.232 -13.416 -0.630 998 3HB ALA1042 HB3 ALA1042 -0.444 -13.470 -0.083 999 H ARG1043 H ARG1043 -2.290 -14.437 -1.053 1000 HA ARG1043 HA ARG1043 -3.453 -16.443 0.385 1001 1HB ARG1043 HB1 ARG1043 -5.062 -14.912 -0.012 1002 2HB ARG1043 HB2 ARG1043 -4.353 -14.436 -1.543 1003 1HG ARG1043 HG1 ARG1043 -5.833 -17.009 -1.450 1004 2HG ARG1043 HG2 ARG1043 -6.760 -15.510 -1.368 1005 1HD ARG1043 HD1 ARG1043 -5.738 -14.744 -3.427 1006 2HD ARG1043 HD2 ARG1043 -4.739 -16.193 -3.492 1007 HE ARG1043 HE ARG1043 -7.322 -17.114 -3.461 1008 1HH1 ARG1043 2HH1 ARG1043 -5.524 -14.850 -5.418 1009 2HH1 ARG1043 1HH1 ARG1043 -6.351 -15.250 -6.891 1010 1HH2 ARG1043 2HH2 ARG1043 -8.433 -17.658 -5.401 1011 2HH2 ARG1043 1HH2 ARG1043 -7.997 -16.855 -6.888 1012 H LEU1044 H LEU1044 -2.752 -16.459 -3.059 1013 HA LEU1044 HA LEU1044 -3.860 -19.078 -3.492 1014 1HB LEU1044 HB1 LEU1044 -3.749 -17.241 -5.174 1015 2HB LEU1044 HB2 LEU1044 -2.026 -17.496 -5.274 1016 HG LEU1044 HG LEU1044 -2.443 -19.819 -6.041 1017 1HD1 LEU1044 1HD1 LEU1044 -4.636 -20.149 -5.038 1018 2HD1 LEU1044 2HD1 LEU1044 -5.323 -18.933 -6.116 1019 3HD1 LEU1044 3HD1 LEU1044 -4.687 -20.439 -6.778 1020 1HD2 LEU1044 1HD2 LEU1044 -2.039 -18.019 -7.643 1021 2HD2 LEU1044 2HD2 LEU1044 -3.162 -19.216 -8.292 1022 3HD2 LEU1044 3HD2 LEU1044 -3.767 -17.671 -7.693 1023 H LYS1045 H LYS1045 -0.715 -17.703 -2.872 1024 HA LYS1045 HA LYS1045 0.898 -19.887 -3.590 1025 1HB LYS1045 HB1 LYS1045 1.326 -17.756 -1.487 1026 2HB LYS1045 HB2 LYS1045 2.568 -18.866 -2.031 1027 1HG LYS1045 HG1 LYS1045 1.218 -16.706 -3.614 1028 2HG LYS1045 HG2 LYS1045 2.900 -16.780 -3.094 1029 1HD LYS1045 HD1 LYS1045 3.337 -18.623 -4.575 1030 2HD LYS1045 HD2 LYS1045 1.628 -18.751 -4.993 1031 1HE LYS1045 HE1 LYS1045 2.851 -17.631 -6.767 1032 2HE LYS1045 HE2 LYS1045 1.717 -16.516 -6.009 1033 1HZ LYS1045 HZ1 LYS1045 3.578 -15.635 -4.696 1034 2HZ LYS1045 HZ2 LYS1045 4.641 -16.650 -5.528 1035 3HZ LYS1045 HZ3 LYS1045 3.820 -15.423 -6.359 1036 H MET1046 H MET1046 -0.673 -18.966 -0.579 1037 HA MET1046 HA MET1046 0.365 -21.150 0.919 1038 1HB MET1046 HB1 MET1046 -0.568 -19.029 1.884 1039 2HB MET1046 HB2 MET1046 -2.170 -19.605 1.448 1040 1HG MET1046 HG1 MET1046 -1.901 -21.528 2.900 1041 2HG MET1046 HG2 MET1046 -0.266 -21.007 3.300 1042 1HE MET1046 HE1 MET1046 -2.352 -21.716 5.532 1043 2HE MET1046 HE2 MET1046 -0.739 -21.101 5.893 1044 3HE MET1046 HE3 MET1046 -2.152 -20.371 6.653 1045 H ILE1047 H ILE1047 -2.513 -20.662 -1.053 1046 HA ILE1047 HA ILE1047 -3.699 -23.187 -0.501 1047 HB ILE1047 HB ILE1047 -4.001 -21.325 -2.857 1048 1HG1 ILE1047 1HG1 ILE1047 -4.865 -20.441 -0.769 1049 2HG1 ILE1047 2HG1 ILE1047 -6.205 -20.875 -1.822 1050 1HG2 ILE1047 1HG2 ILE1047 -5.566 -23.829 -2.239 1051 2HG2 ILE1047 2HG2 ILE1047 -5.980 -22.647 -3.480 1052 3HG2 ILE1047 3HG2 ILE1047 -4.489 -23.579 -3.612 1053 1HD1 ILE1047 1HD1 ILE1047 -6.662 -21.519 0.461 1054 2HD1 ILE1047 2HD1 ILE1047 -6.509 -22.950 -0.559 1055 3HD1 ILE1047 3HD1 ILE1047 -5.183 -22.481 0.507 1056 H SER1048 H SER1048 -1.525 -21.981 -3.024 1057 HA SER1048 HA SER1048 -1.134 -24.283 -4.513 1058 1HB SER1048 HB1 SER1048 0.903 -22.168 -3.747 1059 2HB SER1048 HB2 SER1048 1.122 -23.359 -5.033 1060 HG SER1048 HG SER1048 -0.996 -21.465 -4.916 1061 H GLN1049 H GLN1049 0.038 -23.561 -1.302 1062 HA GLN1049 HA GLN1049 1.850 -25.838 -1.296 1063 1HB GLN1049 HB1 GLN1049 2.029 -23.473 -0.049 1064 2HB GLN1049 HB2 GLN1049 1.183 -24.365 1.206 1065 1HG GLN1049 HG1 GLN1049 3.818 -25.144 -0.025 1066 2HG GLN1049 HG2 GLN1049 3.606 -24.351 1.532 1067 1HE2 GLN1049 2HE2 GLN1049 2.729 -25.532 3.257 1068 2HE2 GLN1049 1HE2 GLN1049 2.723 -27.258 3.258 1069 H SER1050 H SER1050 -1.150 -24.806 0.305 1070 HA SER1050 HA SER1050 -1.530 -27.097 1.880 1071 1HB SER1050 HB1 SER1050 -3.674 -25.309 0.712 1072 2HB SER1050 HB2 SER1050 -3.828 -26.351 2.126 1073 HG SER1050 HG SER1050 -2.256 -24.016 1.828 1074 H ARG1051 H ARG1051 -2.533 -26.338 -1.427 1075 HA ARG1051 HA ARG1051 -3.714 -28.943 -1.807 1076 1HB ARG1051 HB1 ARG1051 -3.621 -26.475 -3.261 1077 2HB ARG1051 HB2 ARG1051 -3.052 -27.769 -4.305 1078 1HG ARG1051 HG1 ARG1051 -5.142 -29.037 -3.649 1079 2HG ARG1051 HG2 ARG1051 -5.715 -27.524 -2.942 1080 1HD ARG1051 HD1 ARG1051 -6.557 -27.796 -5.214 1081 2HD ARG1051 HD2 ARG1051 -5.463 -26.413 -5.108 1082 HE ARG1051 HE ARG1051 -4.194 -28.878 -5.906 1083 1HH1 ARG1051 2HH1 ARG1051 -5.912 -26.035 -7.040 1084 2HH1 ARG1051 1HH1 ARG1051 -5.223 -26.107 -8.636 1085 1HH2 ARG1051 2HH2 ARG1051 -3.259 -28.956 -7.992 1086 2HH2 ARG1051 1HH2 ARG1051 -3.705 -27.755 -9.176 1087 HA PRO1052 HA PRO1052 0.294 -30.798 -2.360 1088 1HB PRO1052 HB1 PRO1052 -1.175 -33.218 -3.099 1089 2HB PRO1052 HB2 PRO1052 -0.168 -32.911 -1.683 1090 1HG PRO1052 HG1 PRO1052 -2.847 -33.172 -1.515 1091 2HG PRO1052 HG2 PRO1052 -1.932 -32.097 -0.443 1092 1HD PRO1052 HD1 PRO1052 -3.520 -31.418 -2.894 1093 2HD PRO1052 HD2 PRO1052 -3.459 -30.585 -1.323 1094 H HIS1053 H HIS1053 -0.617 -29.294 -4.565 1095 HA HIS1053 HA HIS1053 -0.217 -29.003 -6.776 1096 1HB HIS1053 HB1 HIS1053 1.306 -31.605 -6.517 1097 2HB HIS1053 HB2 HIS1053 1.321 -30.580 -7.946 1098 HD1 HIS1053 HD1 HIS1053 3.158 -28.939 -8.053 1099 HD2 HIS1053 HD2 HIS1053 2.391 -30.155 -4.148 1100 HE1 HIS1053 HE1 HIS1053 4.941 -27.865 -6.640 1101 HE2 HIS1053 HE2 HIS1053 4.591 -28.801 -4.326 Start of MODEL 15 1 1H ARG 920 H ARG 920 -6.983 -20.818 -3.052 2 HA ARG 920 HA ARG 920 -8.162 -20.228 -0.551 3 1HB ARG 920 HB1 ARG 920 -5.736 -19.917 -1.301 4 2HB ARG 920 HB2 ARG 920 -6.291 -18.446 -2.087 5 1HG ARG 920 HG1 ARG 920 -5.462 -17.731 -0.046 6 2HG ARG 920 HG2 ARG 920 -7.212 -17.784 0.190 7 1HD ARG 920 HD1 ARG 920 -5.505 -20.147 0.883 8 2HD ARG 920 HD2 ARG 920 -5.623 -18.794 1.999 9 HE ARG 920 HE ARG 920 -8.103 -20.070 1.067 10 1HH1 ARG 920 2HH1 ARG 920 -5.812 -19.510 3.669 11 2HH1 ARG 920 1HH1 ARG 920 -6.879 -20.093 4.911 12 1HH2 ARG 920 2HH2 ARG 920 -9.489 -20.863 2.686 13 2HH2 ARG 920 1HH2 ARG 920 -8.948 -20.922 4.340 14 H SER 921 H SER 921 -8.932 -18.041 0.050 15 HA SER 921 HA SER 921 -10.613 -16.928 -2.087 16 1HB SER 921 HB1 SER 921 -11.341 -17.417 0.801 17 2HB SER 921 HB2 SER 921 -12.401 -16.710 -0.420 18 HG SER 921 HG SER 921 -12.209 -18.688 -1.588 19 H ASN 922 H ASN 922 -8.169 -15.815 -1.530 20 HA ASN 922 HA ASN 922 -7.088 -13.873 -1.020 21 1HB ASN 922 HB1 ASN 922 -9.330 -12.094 -1.337 22 2HB ASN 922 HB2 ASN 922 -7.919 -12.306 -2.365 23 1HD2 ASN 922 2HD2 ASN 922 -7.936 -14.165 -3.793 24 2HD2 ASN 922 1HD2 ASN 922 -9.441 -14.640 -4.538 25 H ASP 923 H ASP 923 -7.434 -14.857 1.185 26 HA ASP 923 HA ASP 923 -8.953 -13.909 3.233 27 1HB ASP 923 HB1 ASP 923 -7.414 -15.810 3.362 28 2HB ASP 923 HB2 ASP 923 -6.036 -14.725 3.263 29 H LYS 924 H LYS 924 -7.623 -12.730 5.173 30 HA LYS 924 HA LYS 924 -7.898 -10.069 5.010 31 1HB LYS 924 HB1 LYS 924 -6.923 -11.751 6.891 32 2HB LYS 924 HB2 LYS 924 -5.471 -10.843 6.504 33 1HG LYS 924 HG1 LYS 924 -8.094 -9.643 7.383 34 2HG LYS 924 HG2 LYS 924 -6.691 -9.907 8.417 35 1HD LYS 924 HD1 LYS 924 -5.380 -8.411 6.949 36 2HD LYS 924 HD2 LYS 924 -6.838 -8.095 6.012 37 1HE LYS 924 HE1 LYS 924 -6.431 -7.473 8.932 38 2HE LYS 924 HE2 LYS 924 -6.389 -6.308 7.610 39 1HZ LYS 924 HZ1 LYS 924 -8.516 -6.218 8.676 40 2HZ LYS 924 HZ2 LYS 924 -8.732 -6.894 7.136 41 3HZ LYS 924 HZ3 LYS 924 -8.745 -7.890 8.505 42 H VAL 925 H VAL 925 -5.312 -11.778 3.441 43 HA VAL 925 HA VAL 925 -3.502 -9.693 3.041 44 HB VAL 925 HB VAL 925 -2.896 -10.980 0.928 45 1HG1 VAL 925 1HG1 VAL 925 -1.713 -11.313 3.027 46 2HG1 VAL 925 2HG1 VAL 925 -2.950 -12.447 3.572 47 3HG1 VAL 925 3HG1 VAL 925 -1.921 -12.855 2.198 48 1HG2 VAL 925 1HG2 VAL 925 -5.049 -12.013 0.492 49 2HG2 VAL 925 2HG2 VAL 925 -3.823 -13.255 0.747 50 3HG2 VAL 925 3HG2 VAL 925 -4.974 -12.876 2.028 51 H TYR 926 H TYR 926 -6.387 -10.706 1.064 52 HA TYR 926 HA TYR 926 -5.725 -8.696 -0.948 53 1HB TYR 926 HB1 TYR 926 -6.813 -10.730 -1.650 54 2HB TYR 926 HB2 TYR 926 -8.096 -10.538 -0.464 55 HD1 TYR 926 HD1 TYR 926 -9.838 -8.806 -0.797 56 HD2 TYR 926 HD2 TYR 926 -6.904 -9.673 -3.761 57 HE1 TYR 926 HE1 TYR 926 -11.220 -7.672 -2.501 58 HE2 TYR 926 HE2 TYR 926 -8.268 -8.534 -5.465 59 HH TYR 926 HH TYR 926 -10.623 -7.947 -5.842 60 H GLU 927 H GLU 927 -7.673 -9.104 1.862 61 HA GLU 927 HA GLU 927 -9.569 -7.066 1.499 62 1HB GLU 927 HB1 GLU 927 -9.408 -9.082 3.164 63 2HB GLU 927 HB2 GLU 927 -8.593 -7.914 4.194 64 1HG GLU 927 HG1 GLU 927 -10.680 -6.444 3.621 65 2HG GLU 927 HG2 GLU 927 -11.402 -8.016 3.286 66 H ASN 928 H ASN 928 -6.633 -7.110 3.533 67 HA ASN 928 HA ASN 928 -7.044 -4.416 4.359 68 1HB ASN 928 HB1 ASN 928 -5.743 -6.298 5.580 69 2HB ASN 928 HB2 ASN 928 -4.386 -5.782 4.579 70 1HD2 ASN 928 2HD2 ASN 928 -3.663 -3.593 4.773 71 2HD2 ASN 928 1HD2 ASN 928 -3.916 -2.725 6.241 72 H VAL 929 H VAL 929 -5.175 -5.917 1.808 73 HA VAL 929 HA VAL 929 -3.674 -3.593 1.160 74 HB VAL 929 HB VAL 929 -4.484 -5.795 -0.751 75 1HG1 VAL 929 1HG1 VAL 929 -2.607 -4.967 -2.081 76 2HG1 VAL 929 2HG1 VAL 929 -3.829 -3.716 -1.852 77 3HG1 VAL 929 3HG1 VAL 929 -2.340 -3.680 -0.907 78 1HG2 VAL 929 1HG2 VAL 929 -2.255 -6.685 -0.343 79 2HG2 VAL 929 2HG2 VAL 929 -1.947 -5.408 0.833 80 3HG2 VAL 929 3HG2 VAL 929 -3.183 -6.624 1.156 81 H THR 930 H THR 930 -6.790 -4.839 -0.036 82 HA THR 930 HA THR 930 -7.481 -2.615 -1.601 83 HB THR 930 HB THR 930 -9.338 -4.312 0.100 84 HG1 THR 930 HG1 THR 930 -8.353 -5.702 -1.297 85 1HG2 THR 930 1HG2 THR 930 -9.905 -2.627 -2.343 86 2HG2 THR 930 2HG2 THR 930 -11.069 -3.649 -1.503 87 3HG2 THR 930 3HG2 THR 930 -10.386 -2.240 -0.692 88 H GLY 931 H GLY 931 -7.633 -3.257 1.831 89 1HA GLY 931 HA1 GLY 931 -8.898 -0.937 2.748 90 2HA GLY 931 HA2 GLY 931 -7.721 -1.873 3.657 91 H LEU 932 H LEU 932 -5.509 -1.468 1.818 92 HA LEU 932 HA LEU 932 -4.540 1.043 2.674 93 1HB LEU 932 HB1 LEU 932 -3.204 -0.998 1.838 94 2HB LEU 932 HB2 LEU 932 -3.554 -0.414 0.223 95 HG LEU 932 HG LEU 932 -2.069 1.197 2.313 96 1HD1 LEU 932 1HD1 LEU 932 -0.988 -0.433 0.025 97 2HD1 LEU 932 2HD1 LEU 932 -0.051 0.661 1.045 98 3HD1 LEU 932 3HD1 LEU 932 -0.795 -0.780 1.743 99 1HD2 LEU 932 1HD2 LEU 932 -1.383 2.586 0.436 100 2HD2 LEU 932 2HD2 LEU 932 -2.335 1.593 -0.667 101 3HD2 LEU 932 3HD2 LEU 932 -3.140 2.553 0.575 102 H VAL 933 H VAL 933 -5.888 -0.091 -0.395 103 HA VAL 933 HA VAL 933 -5.802 2.305 -1.817 104 HB VAL 933 HB VAL 933 -7.978 0.207 -1.981 105 1HG1 VAL 933 1HG1 VAL 933 -8.221 0.968 -4.295 106 2HG1 VAL 933 2HG1 VAL 933 -8.542 2.265 -3.145 107 3HG1 VAL 933 3HG1 VAL 933 -7.007 2.215 -4.010 108 1HG2 VAL 933 1HG2 VAL 933 -5.349 0.352 -3.460 109 2HG2 VAL 933 2HG2 VAL 933 -5.755 -0.801 -2.188 110 3HG2 VAL 933 3HG2 VAL 933 -6.623 -0.838 -3.724 111 H LYS 934 H LYS 934 -8.236 1.038 0.394 112 HA LYS 934 HA LYS 934 -10.093 3.135 0.179 113 1HB LYS 934 HB1 LYS 934 -9.591 1.491 2.663 114 2HB LYS 934 HB2 LYS 934 -11.080 2.303 2.212 115 1HG LYS 934 HG1 LYS 934 -9.877 -0.054 0.754 116 2HG LYS 934 HG2 LYS 934 -11.179 -0.149 1.937 117 1HD LYS 934 HD1 LYS 934 -12.327 -0.182 -0.068 118 2HD LYS 934 HD2 LYS 934 -12.389 1.529 0.360 119 1HE LYS 934 HE1 LYS 934 -10.571 2.016 -1.149 120 2HE LYS 934 HE2 LYS 934 -10.346 0.302 -1.492 121 1HZ LYS 934 HZ1 LYS 934 -11.596 1.569 -3.214 122 2HZ LYS 934 HZ2 LYS 934 -12.423 0.216 -2.610 123 3HZ LYS 934 HZ3 LYS 934 -12.853 1.776 -2.095 124 H ALA 935 H ALA 935 -7.292 2.670 2.272 125 HA ALA 935 HA ALA 935 -7.831 5.040 3.804 126 1HB ALA 935 HB1 ALA 935 -5.775 4.543 4.970 127 2HB ALA 935 HB2 ALA 935 -6.753 3.086 4.799 128 3HB ALA 935 HB3 ALA 935 -5.354 3.335 3.755 129 H VAL 936 H VAL 936 -5.858 4.279 0.989 130 HA VAL 936 HA VAL 936 -4.608 6.861 1.061 131 HB VAL 936 HB VAL 936 -3.456 5.003 -0.070 132 1HG1 VAL 936 1HG1 VAL 936 -5.411 3.891 -1.040 133 2HG1 VAL 936 2HG1 VAL 936 -5.616 5.234 -2.165 134 3HG1 VAL 936 3HG1 VAL 936 -4.176 4.219 -2.256 135 1HG2 VAL 936 1HG2 VAL 936 -2.890 7.284 -0.672 136 2HG2 VAL 936 2HG2 VAL 936 -2.742 6.210 -2.063 137 3HG2 VAL 936 3HG2 VAL 936 -4.136 7.282 -1.920 138 H ILE 937 H ILE 937 -7.631 5.611 0.085 139 HA ILE 937 HA ILE 937 -8.438 7.799 -1.538 140 HB ILE 937 HB ILE 937 -10.035 5.859 0.138 141 1HG1 ILE 937 1HG1 ILE 937 -9.006 4.923 -1.867 142 2HG1 ILE 937 2HG1 ILE 937 -10.754 5.002 -2.057 143 1HG2 ILE 937 1HG2 ILE 937 -12.062 6.738 -0.928 144 2HG2 ILE 937 2HG2 ILE 937 -11.272 7.945 0.088 145 3HG2 ILE 937 3HG2 ILE 937 -11.108 8.023 -1.666 146 1HD1 ILE 937 1HD1 ILE 937 -10.496 7.026 -3.414 147 2HD1 ILE 937 2HD1 ILE 937 -8.744 6.907 -3.242 148 3HD1 ILE 937 3HD1 ILE 937 -9.636 5.648 -4.099 149 H GLU 938 H GLU 938 -8.216 7.205 1.897 150 HA GLU 938 HA GLU 938 -9.543 9.493 2.870 151 1HB GLU 938 HB1 GLU 938 -7.110 8.118 4.045 152 2HB GLU 938 HB2 GLU 938 -8.191 9.217 4.899 153 1HG GLU 938 HG1 GLU 938 -10.067 7.623 4.415 154 2HG GLU 938 HG2 GLU 938 -8.862 6.498 3.799 155 H MET 939 H MET 939 -6.176 8.966 1.970 156 HA MET 939 HA MET 939 -5.073 11.418 2.234 157 1HB MET 939 HB1 MET 939 -3.837 9.564 1.287 158 2HB MET 939 HB2 MET 939 -4.862 9.550 -0.137 159 1HG MET 939 HG1 MET 939 -4.002 11.895 -0.588 160 2HG MET 939 HG2 MET 939 -2.784 11.562 0.640 161 1HE MET 939 HE1 MET 939 -4.447 9.362 -2.180 162 2HE MET 939 HE2 MET 939 -4.051 10.895 -2.956 163 3HE MET 939 HE3 MET 939 -3.190 9.427 -3.418 164 H SER 940 H SER 940 -7.105 10.398 -0.516 165 HA SER 940 HA SER 940 -7.109 12.983 -1.724 166 1HB SER 940 HB1 SER 940 -7.550 10.876 -2.974 167 2HB SER 940 HB2 SER 940 -9.084 10.737 -2.119 168 HG SER 940 HG SER 940 -9.730 11.807 -3.833 169 H SER 941 H SER 941 -9.182 11.373 0.616 170 HA SER 941 HA SER 941 -11.417 13.070 0.094 171 1HB SER 941 HB1 SER 941 -10.897 11.224 2.434 172 2HB SER 941 HB2 SER 941 -12.448 11.958 2.026 173 HG SER 941 HG SER 941 -10.967 10.140 0.411 174 H LYS 942 H LYS 942 -9.046 12.807 2.707 175 HA LYS 942 HA LYS 942 -10.236 15.061 4.046 176 1HB LYS 942 HB1 LYS 942 -9.040 14.441 5.915 177 2HB LYS 942 HB2 LYS 942 -9.236 12.902 5.105 178 1HG LYS 942 HG1 LYS 942 -7.060 12.725 5.590 179 2HG LYS 942 HG2 LYS 942 -6.884 13.632 4.084 180 1HD LYS 942 HD1 LYS 942 -5.528 14.676 5.762 181 2HD LYS 942 HD2 LYS 942 -6.905 15.724 5.400 182 1HE LYS 942 HE1 LYS 942 -6.527 15.643 7.800 183 2HE LYS 942 HE2 LYS 942 -8.058 14.868 7.397 184 1HZ LYS 942 HZ1 LYS 942 -6.858 12.701 7.509 185 2HZ LYS 942 HZ2 LYS 942 -5.505 13.530 8.090 186 3HZ LYS 942 HZ3 LYS 942 -6.934 13.522 8.988 187 H ILE 943 H ILE 943 -7.870 14.711 1.610 188 HA ILE 943 HA ILE 943 -6.253 16.944 2.424 189 HB ILE 943 HB ILE 943 -5.426 15.090 0.923 190 1HG1 ILE 943 1HG1 ILE 943 -4.424 17.484 1.208 191 2HG1 ILE 943 2HG1 ILE 943 -3.813 16.435 -0.062 192 1HG2 ILE 943 1HG2 ILE 943 -5.805 15.255 -1.474 193 2HG2 ILE 943 2HG2 ILE 943 -7.311 14.956 -0.607 194 3HG2 ILE 943 3HG2 ILE 943 -6.948 16.572 -1.211 195 1HD1 ILE 943 1HD1 ILE 943 -4.103 18.722 -0.838 196 2HD1 ILE 943 2HD1 ILE 943 -5.170 17.615 -1.702 197 3HD1 ILE 943 3HD1 ILE 943 -5.818 18.650 -0.431 198 H GLN 944 H GLN 944 -8.902 16.504 0.099 199 HA GLN 944 HA GLN 944 -8.636 18.990 -1.144 200 1HB GLN 944 HB1 GLN 944 -11.361 18.388 -1.329 201 2HB GLN 944 HB2 GLN 944 -10.100 18.018 -2.493 202 1HG GLN 944 HG1 GLN 944 -9.725 15.878 -1.419 203 2HG GLN 944 HG2 GLN 944 -10.990 16.241 -0.248 204 1HE2 GLN 944 2HE2 GLN 944 -12.045 14.367 -0.897 205 2HE2 GLN 944 1HE2 GLN 944 -12.971 14.298 -2.354 206 HA PRO 945 HA PRO 945 -11.661 21.002 1.854 207 1HB PRO 945 HB1 PRO 945 -12.678 19.760 3.975 208 2HB PRO 945 HB2 PRO 945 -13.317 19.458 2.354 209 1HG PRO 945 HG1 PRO 945 -11.466 17.793 4.002 210 2HG PRO 945 HG2 PRO 945 -12.797 17.284 2.949 211 1HD PRO 945 HD1 PRO 945 -10.098 17.290 2.262 212 2HD PRO 945 HD2 PRO 945 -11.452 17.225 1.118 213 H ALA 946 H ALA 946 -8.720 19.944 2.505 214 HA ALA 946 HA ALA 946 -8.612 21.207 5.169 215 1HB ALA 946 HB1 ALA 946 -6.994 18.852 4.230 216 2HB ALA 946 HB2 ALA 946 -6.862 19.645 5.800 217 3HB ALA 946 HB3 ALA 946 -8.347 18.799 5.359 218 HA PRO 947 HA PRO 947 -5.302 23.717 3.566 219 1HB PRO 947 HB1 PRO 947 -4.140 24.488 5.860 220 2HB PRO 947 HB2 PRO 947 -5.767 25.026 5.428 221 1HG PRO 947 HG1 PRO 947 -4.926 22.850 7.302 222 2HG PRO 947 HG2 PRO 947 -6.191 24.077 7.505 223 1HD PRO 947 HD1 PRO 947 -6.679 21.499 6.720 224 2HD PRO 947 HD2 PRO 947 -7.722 22.872 6.308 225 HA PRO 948 HA PRO 948 -1.362 21.685 3.138 226 1HB PRO 948 HB1 PRO 948 -0.109 23.814 4.806 227 2HB PRO 948 HB2 PRO 948 0.393 23.181 3.232 228 1HG PRO 948 HG1 PRO 948 -0.838 25.531 3.394 229 2HG PRO 948 HG2 PRO 948 -1.222 24.400 2.082 230 1HD PRO 948 HD1 PRO 948 -2.791 25.081 4.518 231 2HD PRO 948 HD2 PRO 948 -3.356 24.650 2.892 232 H GLU 949 H GLU 949 -1.961 22.948 6.359 233 HA GLU 949 HA GLU 949 -0.207 21.418 7.857 234 1HB GLU 949 HB1 GLU 949 -2.971 22.405 8.543 235 2HB GLU 949 HB2 GLU 949 -1.847 21.728 9.713 236 1HG GLU 949 HG1 GLU 949 -0.252 23.527 9.173 237 2HG GLU 949 HG2 GLU 949 -1.453 24.226 8.086 238 H GLU 950 H GLU 950 -3.108 20.503 6.226 239 HA GLU 950 HA GLU 950 -3.093 17.912 7.609 240 1HB GLU 950 HB1 GLU 950 -5.284 19.145 5.942 241 2HB GLU 950 HB2 GLU 950 -5.343 17.562 6.711 242 1HG GLU 950 HG1 GLU 950 -5.049 20.165 8.197 243 2HG GLU 950 HG2 GLU 950 -6.579 19.330 7.930 244 H TYR 951 H TYR 951 -2.020 19.363 4.841 245 HA TYR 951 HA TYR 951 -2.484 17.377 2.901 246 1HB TYR 951 HB1 TYR 951 -0.212 19.319 3.292 247 2HB TYR 951 HB2 TYR 951 -0.234 18.175 1.959 248 HD1 TYR 951 HD1 TYR 951 0.030 20.477 0.780 249 HD2 TYR 951 HD2 TYR 951 -3.548 19.187 2.679 250 HE1 TYR 951 HE1 TYR 951 -1.240 22.080 -0.558 251 HE2 TYR 951 HE2 TYR 951 -4.840 20.793 1.338 252 HH TYR 951 HH TYR 951 -4.576 22.768 0.071 253 H VAL 952 H VAL 952 0.148 17.803 5.275 254 HA VAL 952 HA VAL 952 1.234 15.260 4.552 255 HB VAL 952 HB VAL 952 2.972 16.404 5.399 256 1HG1 VAL 952 1HG1 VAL 952 1.810 18.395 6.072 257 2HG1 VAL 952 2HG1 VAL 952 1.155 17.591 7.499 258 3HG1 VAL 952 3HG1 VAL 952 2.887 17.902 7.379 259 1HG2 VAL 952 1HG2 VAL 952 2.864 14.323 6.671 260 2HG2 VAL 952 2HG2 VAL 952 3.598 15.612 7.626 261 3HG2 VAL 952 3HG2 VAL 952 1.931 15.126 7.932 262 HA PRO 953 HA PRO 953 -1.230 13.649 8.520 263 1HB PRO 953 HB1 PRO 953 -3.534 15.467 8.032 264 2HB PRO 953 HB2 PRO 953 -2.994 14.713 9.541 265 1HG PRO 953 HG1 PRO 953 -2.444 17.254 9.094 266 2HG PRO 953 HG2 PRO 953 -1.211 16.188 9.799 267 1HD PRO 953 HD1 PRO 953 -1.446 17.227 7.003 268 2HD PRO 953 HD2 PRO 953 0.004 16.970 7.991 269 H MET 954 H MET 954 -2.662 14.819 5.450 270 HA MET 954 HA MET 954 -4.506 12.634 5.385 271 1HB MET 954 HB1 MET 954 -4.966 13.245 3.062 272 2HB MET 954 HB2 MET 954 -5.038 14.633 4.127 273 1HG MET 954 HG1 MET 954 -3.999 15.421 2.225 274 2HG MET 954 HG2 MET 954 -2.673 15.134 3.346 275 1HE MET 954 HE1 MET 954 -2.867 15.414 0.017 276 2HE MET 954 HE2 MET 954 -1.319 15.458 0.860 277 3HE MET 954 HE3 MET 954 -1.571 14.316 -0.459 278 H VAL 955 H VAL 955 -1.230 13.172 4.283 279 HA VAL 955 HA VAL 955 -1.080 10.703 2.880 280 HB VAL 955 HB VAL 955 0.643 12.739 2.792 281 1HG1 VAL 955 1HG1 VAL 955 1.369 12.592 5.096 282 2HG1 VAL 955 2HG1 VAL 955 1.894 10.929 4.839 283 3HG1 VAL 955 3HG1 VAL 955 2.700 12.249 3.991 284 1HG2 VAL 955 1HG2 VAL 955 2.269 11.203 1.814 285 2HG2 VAL 955 2HG2 VAL 955 1.410 9.843 2.540 286 3HG2 VAL 955 3HG2 VAL 955 0.621 10.830 1.310 287 H LYS 956 H LYS 956 -0.864 11.678 6.172 288 HA LYS 956 HA LYS 956 0.352 9.424 7.315 289 1HB LYS 956 HB1 LYS 956 -1.810 11.245 8.336 290 2HB LYS 956 HB2 LYS 956 -1.177 9.919 9.300 291 1HG LYS 956 HG1 LYS 956 1.116 11.024 8.857 292 2HG LYS 956 HG2 LYS 956 0.157 12.443 8.433 293 1HD LYS 956 HD1 LYS 956 0.010 10.944 11.053 294 2HD LYS 956 HD2 LYS 956 0.873 12.456 10.795 295 1HE LYS 956 HE1 LYS 956 -1.151 13.087 11.786 296 2HE LYS 956 HE2 LYS 956 -1.370 13.426 10.073 297 1HZ LYS 956 HZ1 LYS 956 -2.361 10.970 11.434 298 2HZ LYS 956 HZ2 LYS 956 -3.305 12.341 11.129 299 3HZ LYS 956 HZ3 LYS 956 -2.679 11.446 9.841 300 H GLU 957 H GLU 957 -2.997 10.005 6.359 301 HA GLU 957 HA GLU 957 -4.179 7.660 7.206 302 1HB GLU 957 HB1 GLU 957 -4.832 8.706 4.479 303 2HB GLU 957 HB2 GLU 957 -5.914 8.107 5.726 304 1HG GLU 957 HG1 GLU 957 -4.438 10.726 5.849 305 2HG GLU 957 HG2 GLU 957 -6.100 10.534 5.307 306 H VAL 958 H VAL 958 -2.463 8.277 4.129 307 HA VAL 958 HA VAL 958 -2.590 5.604 3.202 308 HB VAL 958 HB VAL 958 -0.213 7.305 2.557 309 1HG1 VAL 958 1HG1 VAL 958 -0.385 5.076 1.601 310 2HG1 VAL 958 2HG1 VAL 958 -1.956 5.484 0.909 311 3HG1 VAL 958 3HG1 VAL 958 -0.504 6.315 0.348 312 1HG2 VAL 958 1HG2 VAL 958 -2.037 8.891 2.484 313 2HG2 VAL 958 2HG2 VAL 958 -1.538 8.482 0.844 314 3HG2 VAL 958 3HG2 VAL 958 -3.003 7.776 1.518 315 H GLY 959 H GLY 959 -0.380 7.249 5.375 316 1HA GLY 959 HA1 GLY 959 1.637 5.269 5.499 317 2HA GLY 959 HA2 GLY 959 1.300 6.469 6.740 318 H LEU 960 H LEU 960 -1.301 5.772 7.409 319 HA LEU 960 HA LEU 960 -0.907 3.527 9.107 320 1HB LEU 960 HB1 LEU 960 -2.409 5.378 9.678 321 2HB LEU 960 HB2 LEU 960 -3.434 4.980 8.314 322 HG LEU 960 HG LEU 960 -3.984 2.819 9.372 323 1HD1 LEU 960 1HD1 LEU 960 -2.384 3.887 11.697 324 2HD1 LEU 960 2HD1 LEU 960 -3.378 2.431 11.709 325 3HD1 LEU 960 3HD1 LEU 960 -1.949 2.512 10.680 326 1HD2 LEU 960 1HD2 LEU 960 -5.395 3.730 11.144 327 2HD2 LEU 960 2HD2 LEU 960 -4.475 5.235 11.107 328 3HD2 LEU 960 3HD2 LEU 960 -5.429 4.748 9.705 329 H ALA 961 H ALA 961 -2.423 4.066 6.038 330 HA ALA 961 HA ALA 961 -3.778 1.711 5.578 331 1HB ALA 961 HB1 ALA 961 -2.142 3.231 3.556 332 2HB ALA 961 HB2 ALA 961 -3.455 2.107 3.207 333 3HB ALA 961 HB3 ALA 961 -3.791 3.622 4.045 334 H LEU 962 H LEU 962 -0.354 2.321 4.615 335 HA LEU 962 HA LEU 962 -0.007 -0.448 4.007 336 1HB LEU 962 HB1 LEU 962 1.766 0.269 2.885 337 2HB LEU 962 HB2 LEU 962 1.374 1.894 3.411 338 HG LEU 962 HG LEU 962 3.100 0.105 5.112 339 1HD1 LEU 962 1HD1 LEU 962 5.062 1.059 4.047 340 2HD1 LEU 962 2HD1 LEU 962 4.093 0.165 2.877 341 3HD1 LEU 962 3HD1 LEU 962 4.037 1.926 2.902 342 1HD2 LEU 962 1HD2 LEU 962 2.226 2.145 6.133 343 2HD2 LEU 962 2HD2 LEU 962 3.974 2.243 5.914 344 3HD2 LEU 962 3HD2 LEU 962 2.896 3.100 4.811 345 H ARG 963 H ARG 963 0.286 1.385 6.924 346 HA ARG 963 HA ARG 963 2.131 -0.338 8.248 347 1HB ARG 963 HB1 ARG 963 1.050 2.102 8.836 348 2HB ARG 963 HB2 ARG 963 0.172 1.060 9.946 349 1HG ARG 963 HG1 ARG 963 3.170 1.277 9.734 350 2HG ARG 963 HG2 ARG 963 2.164 2.005 10.986 351 1HD ARG 963 HD1 ARG 963 1.509 -0.173 11.788 352 2HD ARG 963 HD2 ARG 963 2.350 -0.960 10.452 353 HE ARG 963 HE ARG 963 4.224 0.590 11.818 354 1HH1 ARG 963 2HH1 ARG 963 2.215 -2.229 12.421 355 2HH1 ARG 963 1HH1 ARG 963 3.301 -2.900 13.600 356 1HH2 ARG 963 2HH2 ARG 963 5.661 -0.309 13.337 357 2HH2 ARG 963 1HH2 ARG 963 5.262 -1.809 14.123 358 H THR 964 H THR 964 -1.417 0.007 8.590 359 HA THR 964 HA THR 964 -1.870 -2.336 10.037 360 HB THR 964 HB THR 964 -3.748 -1.305 7.902 361 HG1 THR 964 HG1 THR 964 -3.380 0.529 9.020 362 1HG2 THR 964 1HG2 THR 964 -4.384 -3.389 9.052 363 2HG2 THR 964 2HG2 THR 964 -4.256 -2.562 10.604 364 3HG2 THR 964 3HG2 THR 964 -5.484 -2.067 9.438 365 H LEU 965 H LEU 965 -1.176 -1.789 6.709 366 HA LEU 965 HA LEU 965 -1.925 -4.354 5.732 367 1HB LEU 965 HB1 LEU 965 -1.687 -2.369 4.291 368 2HB LEU 965 HB2 LEU 965 0.048 -2.396 4.561 369 HG LEU 965 HG LEU 965 0.284 -4.456 3.374 370 1HD1 LEU 965 1HD1 LEU 965 -2.728 -4.510 3.209 371 2HD1 LEU 965 2HD1 LEU 965 -1.626 -5.668 2.464 372 3HD1 LEU 965 3HD1 LEU 965 -1.732 -5.558 4.221 373 1HD2 LEU 965 1HD2 LEU 965 -0.545 -3.839 1.166 374 2HD2 LEU 965 2HD2 LEU 965 -1.640 -2.663 1.893 375 3HD2 LEU 965 3HD2 LEU 965 0.105 -2.431 2.005 376 H LEU 966 H LEU 966 1.155 -2.976 6.834 377 HA LEU 966 HA LEU 966 2.833 -5.108 6.565 378 1HB LEU 966 HB1 LEU 966 3.475 -2.940 7.533 379 2HB LEU 966 HB2 LEU 966 2.589 -3.323 8.992 380 HG LEU 966 HG LEU 966 4.797 -5.157 8.167 381 1HD1 LEU 966 1HD1 LEU 966 5.772 -2.936 7.905 382 2HD1 LEU 966 2HD1 LEU 966 5.197 -2.483 9.509 383 3HD1 LEU 966 3HD1 LEU 966 6.421 -3.739 9.334 384 1HD2 LEU 966 1HD2 LEU 966 3.434 -5.716 10.110 385 2HD2 LEU 966 2HD2 LEU 966 5.079 -5.316 10.608 386 3HD2 LEU 966 3HD2 LEU 966 3.781 -4.142 10.824 387 H ALA 967 H ALA 967 0.227 -4.781 8.931 388 HA ALA 967 HA ALA 967 0.765 -7.128 10.403 389 1HB ALA 967 HB1 ALA 967 -1.558 -7.057 11.097 390 2HB ALA 967 HB2 ALA 967 -0.868 -5.434 11.117 391 3HB ALA 967 HB3 ALA 967 -1.933 -5.922 9.799 392 H THR 968 H THR 968 -1.356 -6.630 7.552 393 HA THR 968 HA THR 968 -1.983 -9.304 7.077 394 HB THR 968 HB THR 968 -1.774 -6.872 5.338 395 HG1 THR 968 HG1 THR 968 -4.096 -8.338 5.409 396 1HG2 THR 968 1HG2 THR 968 -2.531 -9.625 4.354 397 2HG2 THR 968 2HG2 THR 968 -2.656 -8.121 3.441 398 3HG2 THR 968 3HG2 THR 968 -1.072 -8.740 3.910 399 H VAL 969 H VAL 969 0.705 -7.365 5.712 400 HA VAL 969 HA VAL 969 2.048 -9.260 4.328 401 HB VAL 969 HB VAL 969 3.256 -7.119 6.083 402 1HG1 VAL 969 1HG1 VAL 969 5.233 -7.281 4.634 403 2HG1 VAL 969 2HG1 VAL 969 4.944 -8.774 5.528 404 3HG1 VAL 969 3HG1 VAL 969 4.510 -8.672 3.823 405 1HG2 VAL 969 1HG2 VAL 969 2.588 -7.127 3.142 406 2HG2 VAL 969 2HG2 VAL 969 1.692 -6.280 4.403 407 3HG2 VAL 969 3HG2 VAL 969 3.349 -5.806 4.031 408 H ASP 970 H ASP 970 1.885 -9.025 7.830 409 HA ASP 970 HA ASP 970 4.006 -10.880 8.301 410 1HB ASP 970 HB1 ASP 970 3.263 -9.274 10.027 411 2HB ASP 970 HB2 ASP 970 1.710 -10.097 10.113 412 H GLU 971 H GLU 971 0.582 -11.233 7.688 413 HA GLU 971 HA GLU 971 0.423 -14.000 8.313 414 1HB GLU 971 HB1 GLU 971 -1.074 -12.561 6.112 415 2HB GLU 971 HB2 GLU 971 -1.572 -14.019 6.958 416 1HG GLU 971 HG1 GLU 971 -1.263 -11.327 8.257 417 2HG GLU 971 HG2 GLU 971 -2.789 -11.964 7.632 418 H SER 972 H SER 972 0.723 -12.390 5.138 419 HA SER 972 HA SER 972 1.583 -14.526 3.684 420 1HB SER 972 HB1 SER 972 2.467 -12.772 2.149 421 2HB SER 972 HB2 SER 972 0.793 -12.524 2.672 422 HG SER 972 HG SER 972 2.803 -11.344 4.209 423 H LEU 973 H LEU 973 3.427 -12.737 6.034 424 HA LEU 973 HA LEU 973 5.989 -13.090 4.989 425 1HB LEU 973 HB1 LEU 973 5.477 -11.660 6.930 426 2HB LEU 973 HB2 LEU 973 5.203 -13.091 7.905 427 HG LEU 973 HG LEU 973 7.559 -13.742 7.617 428 1HD1 LEU 973 1HD1 LEU 973 7.828 -11.107 6.168 429 2HD1 LEU 973 2HD1 LEU 973 9.151 -12.177 6.627 430 3HD1 LEU 973 3HD1 LEU 973 7.962 -12.706 5.438 431 1HD2 LEU 973 1HD2 LEU 973 6.866 -12.379 9.534 432 2HD2 LEU 973 2HD2 LEU 973 8.520 -12.020 9.036 433 3HD2 LEU 973 3HD2 LEU 973 7.210 -10.918 8.611 434 HA PRO 974 HA PRO 974 6.183 -17.537 7.090 435 1HB PRO 974 HB1 PRO 974 3.239 -17.968 7.308 436 2HB PRO 974 HB2 PRO 974 4.545 -18.581 8.332 437 1HG PRO 974 HG1 PRO 974 3.007 -16.594 9.176 438 2HG PRO 974 HG2 PRO 974 4.753 -16.574 9.485 439 1HD PRO 974 HD1 PRO 974 3.170 -15.061 7.452 440 2HD PRO 974 HD2 PRO 974 4.548 -14.528 8.432 441 H VAL 975 H VAL 975 3.693 -16.235 4.996 442 HA VAL 975 HA VAL 975 3.622 -18.551 3.247 443 HB VAL 975 HB VAL 975 2.781 -15.725 2.619 444 1HG1 VAL 975 1HG1 VAL 975 1.373 -16.789 0.919 445 2HG1 VAL 975 2HG1 VAL 975 3.086 -17.106 0.638 446 3HG1 VAL 975 3HG1 VAL 975 2.061 -18.357 1.340 447 1HG2 VAL 975 1HG2 VAL 975 0.526 -16.471 3.206 448 2HG2 VAL 975 2HG2 VAL 975 1.172 -18.035 3.701 449 3HG2 VAL 975 3HG2 VAL 975 1.619 -16.575 4.586 450 H LEU 976 H LEU 976 5.817 -15.960 3.671 451 HA LEU 976 HA LEU 976 6.911 -15.934 1.062 452 1HB LEU 976 HB1 LEU 976 7.412 -14.029 2.221 453 2HB LEU 976 HB2 LEU 976 7.813 -14.878 3.703 454 HG LEU 976 HG LEU 976 9.624 -15.184 1.338 455 1HD1 LEU 976 1HD1 LEU 976 9.208 -12.790 1.413 456 2HD1 LEU 976 2HD1 LEU 976 9.541 -12.769 3.146 457 3HD1 LEU 976 3HD1 LEU 976 10.830 -13.150 2.004 458 1HD2 LEU 976 1HD2 LEU 976 11.328 -15.307 3.059 459 2HD2 LEU 976 2HD2 LEU 976 10.139 -14.916 4.301 460 3HD2 LEU 976 3HD2 LEU 976 10.027 -16.441 3.422 461 HA PRO 977 HA PRO 977 10.062 -19.270 2.726 462 1HB PRO 977 HB1 PRO 977 8.338 -20.477 4.825 463 2HB PRO 977 HB2 PRO 977 10.092 -20.274 4.792 464 1HG PRO 977 HG1 PRO 977 8.580 -18.735 6.342 465 2HG PRO 977 HG2 PRO 977 9.985 -18.069 5.485 466 1HD PRO 977 HD1 PRO 977 7.075 -17.844 4.822 467 2HD PRO 977 HD2 PRO 977 8.352 -16.618 4.714 468 H ALA 978 H ALA 978 6.560 -19.450 2.804 469 HA ALA 978 HA ALA 978 6.333 -22.050 1.696 470 1HB ALA 978 HB1 ALA 978 4.499 -20.964 2.900 471 2HB ALA 978 HB2 ALA 978 4.345 -19.787 1.596 472 3HB ALA 978 HB3 ALA 978 4.008 -21.490 1.289 473 H SER 979 H SER 979 5.659 -18.899 0.103 474 HA SER 979 HA SER 979 6.915 -19.705 -2.335 475 1HB SER 979 HB1 SER 979 3.936 -19.991 -2.053 476 2HB SER 979 HB2 SER 979 4.662 -19.640 -3.627 477 HG SER 979 HG SER 979 5.781 -21.725 -2.146 478 H THR 980 H THR 980 4.952 -17.428 -0.561 479 HA THR 980 HA THR 980 4.461 -15.626 -2.673 480 HB THR 980 HB THR 980 3.221 -15.674 -0.442 481 HG1 THR 980 HG1 THR 980 3.798 -13.026 -0.955 482 1HG2 THR 980 1HG2 THR 980 5.468 -13.794 0.291 483 2HG2 THR 980 2HG2 THR 980 3.999 -14.076 1.227 484 3HG2 THR 980 3HG2 THR 980 5.177 -15.372 1.023 485 H HIS 981 H HIS 981 7.371 -16.263 -1.182 486 HA HIS 981 HA HIS 981 8.510 -13.927 -0.400 487 1HB HIS 981 HB1 HIS 981 9.604 -16.132 -0.255 488 2HB HIS 981 HB2 HIS 981 9.848 -16.137 -1.994 489 HD1 HIS 981 HD1 HIS 981 11.835 -15.897 0.780 490 HD2 HIS 981 HD2 HIS 981 11.400 -13.400 -2.515 491 HE1 HIS 981 HE1 HIS 981 13.939 -14.527 0.679 492 HE2 HIS 981 HE2 HIS 981 13.525 -12.854 -1.159 493 H ARG 982 H ARG 982 8.430 -15.109 -3.780 494 HA ARG 982 HA ARG 982 9.890 -13.075 -4.962 495 1HB ARG 982 HB1 ARG 982 7.532 -14.637 -5.996 496 2HB ARG 982 HB2 ARG 982 8.421 -13.499 -6.995 497 1HG ARG 982 HG1 ARG 982 10.443 -14.791 -6.737 498 2HG ARG 982 HG2 ARG 982 9.620 -15.898 -5.635 499 1HD ARG 982 HD1 ARG 982 9.822 -16.769 -7.951 500 2HD ARG 982 HD2 ARG 982 8.158 -16.646 -7.386 501 HE ARG 982 HE ARG 982 8.545 -14.296 -8.680 502 1HH1 ARG 982 2HH1 ARG 982 8.962 -17.656 -9.584 503 2HH1 ARG 982 1HH1 ARG 982 8.701 -17.360 -11.279 504 1HH2 ARG 982 2HH2 ARG 982 8.175 -13.909 -10.875 505 2HH2 ARG 982 1HH2 ARG 982 8.248 -15.220 -12.013 506 H GLU 983 H GLU 983 6.345 -13.150 -4.645 507 HA GLU 983 HA GLU 983 6.097 -10.450 -5.497 508 1HB GLU 983 HB1 GLU 983 4.205 -12.492 -4.625 509 2HB GLU 983 HB2 GLU 983 3.740 -10.858 -4.223 510 1HG GLU 983 HG1 GLU 983 2.815 -11.232 -6.302 511 2HG GLU 983 HG2 GLU 983 4.258 -10.254 -6.589 512 H ILE 984 H ILE 984 6.004 -11.901 -2.266 513 HA ILE 984 HA ILE 984 5.106 -9.542 -1.012 514 HB ILE 984 HB ILE 984 5.047 -11.822 0.031 515 1HG1 ILE 984 1HG1 ILE 984 5.567 -11.011 2.325 516 2HG1 ILE 984 2HG1 ILE 984 6.370 -9.607 1.626 517 1HG2 ILE 984 1HG2 ILE 984 7.981 -11.275 0.503 518 2HG2 ILE 984 2HG2 ILE 984 7.055 -12.586 1.236 519 3HG2 ILE 984 3HG2 ILE 984 7.302 -12.549 -0.510 520 1HD1 ILE 984 1HD1 ILE 984 4.280 -8.869 0.655 521 2HD1 ILE 984 2HD1 ILE 984 3.465 -10.304 1.278 522 3HD1 ILE 984 3HD1 ILE 984 4.109 -9.101 2.395 523 H GLU 985 H GLU 985 8.254 -10.620 -2.069 524 HA GLU 985 HA GLU 985 9.653 -8.466 -0.832 525 1HB GLU 985 HB1 GLU 985 10.362 -10.340 -3.072 526 2HB GLU 985 HB2 GLU 985 11.426 -9.029 -2.576 527 1HG GLU 985 HG1 GLU 985 10.617 -10.443 -0.253 528 2HG GLU 985 HG2 GLU 985 11.159 -11.611 -1.457 529 H MET 986 H MET 986 7.986 -8.864 -3.970 530 HA MET 986 HA MET 986 9.246 -6.605 -5.101 531 1HB MET 986 HB1 MET 986 7.739 -6.696 -6.944 532 2HB MET 986 HB2 MET 986 8.242 -8.322 -6.532 533 1HG MET 986 HG1 MET 986 6.136 -8.867 -5.668 534 2HG MET 986 HG2 MET 986 5.639 -7.178 -5.591 535 1HE MET 986 HE1 MET 986 6.307 -9.334 -9.618 536 2HE MET 986 HE2 MET 986 7.602 -8.763 -8.569 537 3HE MET 986 HE3 MET 986 6.598 -10.122 -8.067 538 H ALA 987 H ALA 987 5.911 -6.920 -3.961 539 HA ALA 987 HA ALA 987 5.497 -4.111 -4.183 540 1HB ALA 987 HB1 ALA 987 3.748 -5.736 -4.698 541 2HB ALA 987 HB2 ALA 987 3.678 -6.171 -2.989 542 3HB ALA 987 HB3 ALA 987 3.247 -4.540 -3.503 543 H GLN 988 H GLN 988 6.096 -6.299 -1.430 544 HA GLN 988 HA GLN 988 5.163 -4.380 0.457 545 1HB GLN 988 HB1 GLN 988 5.188 -6.715 1.072 546 2HB GLN 988 HB2 GLN 988 6.927 -6.801 0.854 547 1HG GLN 988 HG1 GLN 988 6.009 -4.793 2.792 548 2HG GLN 988 HG2 GLN 988 5.691 -6.470 3.231 549 1HE2 GLN 988 2HE2 GLN 988 7.421 -7.868 3.563 550 2HE2 GLN 988 1HE2 GLN 988 9.026 -7.297 3.837 551 H LYS 989 H LYS 989 8.418 -5.274 -0.696 552 HA LYS 989 HA LYS 989 9.784 -3.286 0.800 553 1HB LYS 989 HB1 LYS 989 10.499 -4.587 -1.838 554 2HB LYS 989 HB2 LYS 989 11.585 -3.565 -0.909 555 1HG LYS 989 HG1 LYS 989 10.404 -6.159 0.069 556 2HG LYS 989 HG2 LYS 989 12.020 -5.970 -0.614 557 1HD LYS 989 HD1 LYS 989 12.559 -4.366 1.183 558 2HD LYS 989 HD2 LYS 989 10.965 -4.652 1.884 559 1HE LYS 989 HE1 LYS 989 12.713 -5.955 3.008 560 2HE LYS 989 HE2 LYS 989 11.512 -6.990 2.235 561 1HZ LYS 989 HZ1 LYS 989 13.972 -7.558 1.946 562 2HZ LYS 989 HZ2 LYS 989 12.993 -7.593 0.563 563 3HZ LYS 989 HZ3 LYS 989 14.019 -6.270 0.848 564 H LEU 990 H LEU 990 7.920 -3.298 -2.085 565 HA LEU 990 HA LEU 990 8.773 -0.807 -3.161 566 1HB LEU 990 HB1 LEU 990 7.879 -2.415 -4.627 567 2HB LEU 990 HB2 LEU 990 6.485 -2.696 -3.615 568 HG LEU 990 HG LEU 990 5.463 -0.668 -4.324 569 1HD1 LEU 990 1HD1 LEU 990 7.441 0.772 -4.440 570 2HD1 LEU 990 2HD1 LEU 990 8.033 -0.128 -5.836 571 3HD1 LEU 990 3HD1 LEU 990 6.557 0.828 -5.964 572 1HD2 LEU 990 1HD2 LEU 990 5.190 -2.574 -5.783 573 2HD2 LEU 990 2HD2 LEU 990 5.263 -1.090 -6.733 574 3HD2 LEU 990 3HD2 LEU 990 6.668 -2.154 -6.650 575 H LEU 991 H LEU 991 6.121 -1.843 -1.062 576 HA LEU 991 HA LEU 991 4.685 0.553 -0.911 577 1HB LEU 991 HB1 LEU 991 5.112 -1.520 1.244 578 2HB LEU 991 HB2 LEU 991 3.844 -0.311 1.229 579 HG LEU 991 HG LEU 991 4.100 -2.375 -0.933 580 1HD1 LEU 991 1HD1 LEU 991 3.923 -3.545 1.200 581 2HD1 LEU 991 2HD1 LEU 991 2.533 -2.553 1.644 582 3HD1 LEU 991 3HD1 LEU 991 2.418 -3.679 0.291 583 1HD2 LEU 991 1HD2 LEU 991 1.725 -1.881 -1.247 584 2HD2 LEU 991 2HD2 LEU 991 1.786 -0.713 0.074 585 3HD2 LEU 991 3HD2 LEU 991 2.703 -0.421 -1.405 586 H ASN 992 H ASN 992 6.941 -0.747 1.525 587 HA ASN 992 HA ASN 992 7.300 1.424 3.107 588 1HB ASN 992 HB1 ASN 992 8.329 -0.763 3.523 589 2HB ASN 992 HB2 ASN 992 9.447 -0.503 2.189 590 1HD2 ASN 992 2HD2 ASN 992 11.267 -0.655 3.454 591 2HD2 ASN 992 1HD2 ASN 992 11.721 0.557 4.606 592 H SER 993 H SER 993 8.778 0.855 -0.030 593 HA SER 993 HA SER 993 10.574 3.037 0.053 594 1HB SER 993 HB1 SER 993 9.400 1.540 -2.303 595 2HB SER 993 HB2 SER 993 10.723 2.699 -2.411 596 HG SER 993 HG SER 993 10.673 0.128 -1.257 597 H ASP 994 H ASP 994 7.385 2.702 -1.626 598 HA ASP 994 HA ASP 994 7.659 5.536 -2.235 599 1HB ASP 994 HB1 ASP 994 6.071 3.357 -3.478 600 2HB ASP 994 HB2 ASP 994 5.536 5.026 -3.679 601 H LEU 995 H LEU 995 5.648 3.621 -0.033 602 HA LEU 995 HA LEU 995 3.863 5.703 0.536 603 1HB LEU 995 HB1 LEU 995 3.620 3.509 1.590 604 2HB LEU 995 HB2 LEU 995 5.156 3.700 2.407 605 HG LEU 995 HG LEU 995 2.988 4.003 3.752 606 1HD1 LEU 995 1HD1 LEU 995 5.172 4.554 4.654 607 2HD1 LEU 995 2HD1 LEU 995 5.108 6.139 3.884 608 3HD1 LEU 995 3HD1 LEU 995 3.966 5.733 5.165 609 1HD2 LEU 995 1HD2 LEU 995 2.072 6.277 3.755 610 2HD2 LEU 995 2HD2 LEU 995 3.072 6.668 2.355 611 3HD2 LEU 995 3HD2 LEU 995 1.806 5.448 2.221 612 H ALA 996 H ALA 996 7.083 5.004 1.974 613 HA ALA 996 HA ALA 996 7.498 7.369 3.261 614 1HB ALA 996 HB1 ALA 996 9.541 5.828 1.672 615 2HB ALA 996 HB2 ALA 996 9.906 7.055 2.886 616 3HB ALA 996 HB3 ALA 996 9.104 5.554 3.358 617 H GLU 997 H GLU 997 7.482 6.845 -0.187 618 HA GLU 997 HA GLU 997 8.794 9.271 -0.877 619 1HB GLU 997 HB1 GLU 997 8.576 7.565 -2.553 620 2HB GLU 997 HB2 GLU 997 6.826 7.557 -2.398 621 1HG GLU 997 HG1 GLU 997 7.402 8.699 -4.408 622 2HG GLU 997 HG2 GLU 997 6.794 9.883 -3.253 623 H LEU 998 H LEU 998 5.442 8.338 -0.315 624 HA LEU 998 HA LEU 998 4.446 10.931 -1.061 625 1HB LEU 998 HB1 LEU 998 3.244 8.391 -0.098 626 2HB LEU 998 HB2 LEU 998 2.320 9.867 0.105 627 HG LEU 998 HG LEU 998 1.654 8.787 -1.941 628 1HD1 LEU 998 1HD1 LEU 998 2.045 10.609 -3.503 629 2HD1 LEU 998 2HD1 LEU 998 1.726 11.237 -1.887 630 3HD1 LEU 998 3HD1 LEU 998 3.376 11.197 -2.506 631 1HD2 LEU 998 1HD2 LEU 998 4.553 8.982 -2.748 632 2HD2 LEU 998 2HD2 LEU 998 3.692 7.497 -2.338 633 3HD2 LEU 998 3HD2 LEU 998 3.230 8.421 -3.769 634 H ILE 999 H ILE 999 4.675 9.104 1.961 635 HA ILE 999 HA ILE 999 3.575 11.039 3.659 636 HB ILE 999 HB ILE 999 4.093 8.668 4.296 637 1HG1 ILE 999 1HG1 ILE 999 5.159 10.767 6.196 638 2HG1 ILE 999 2HG1 ILE 999 3.454 10.393 5.956 639 1HG2 ILE 999 1HG2 ILE 999 6.883 9.750 4.640 640 2HG2 ILE 999 2HG2 ILE 999 6.319 8.182 5.221 641 3HG2 ILE 999 3HG2 ILE 999 6.367 8.517 3.490 642 1HD1 ILE 999 1HD1 ILE 999 5.540 8.504 7.023 643 2HD1 ILE 999 2HD1 ILE 999 4.314 9.349 7.970 644 3HD1 ILE 999 3HD1 ILE 999 3.833 8.133 6.786 645 H ASN1000 H ASN1000 6.423 11.128 1.955 646 HA ASN1000 HA ASN1000 7.676 13.049 3.816 647 1HB ASN1000 HB1 ASN1000 9.293 11.421 3.805 648 2HB ASN1000 HB2 ASN1000 8.827 10.810 2.226 649 1HD2 ASN1000 2HD2 ASN1000 9.771 11.638 0.405 650 2HD2 ASN1000 1HD2 ASN1000 11.170 12.647 0.458 651 H LYS1001 H LYS1001 6.518 12.401 0.619 652 HA LYS1001 HA LYS1001 7.736 14.758 -0.500 653 1HB LYS1001 HB1 LYS1001 7.000 12.550 -1.718 654 2HB LYS1001 HB2 LYS1001 5.452 13.373 -1.838 655 1HG LYS1001 HG1 LYS1001 6.941 13.630 -3.827 656 2HG LYS1001 HG2 LYS1001 6.402 15.150 -3.105 657 1HD LYS1001 HD1 LYS1001 8.496 15.550 -2.117 658 2HD LYS1001 HD2 LYS1001 9.016 13.880 -2.343 659 1HE LYS1001 HE1 LYS1001 8.433 15.712 -4.652 660 2HE LYS1001 HE2 LYS1001 10.020 15.631 -3.890 661 1HZ LYS1001 HZ1 LYS1001 8.580 13.375 -5.173 662 2HZ LYS1001 HZ2 LYS1001 9.937 14.178 -5.789 663 3HZ LYS1001 HZ3 LYS1001 10.068 13.248 -4.374 664 H MET1002 H MET1002 4.532 13.885 0.742 665 HA MET1002 HA MET1002 3.510 16.485 0.080 666 1HB MET1002 HB1 MET1002 1.981 14.538 0.253 667 2HB MET1002 HB2 MET1002 2.361 14.424 1.970 668 1HG MET1002 HG1 MET1002 0.425 15.625 2.031 669 2HG MET1002 HG2 MET1002 1.633 16.909 2.024 670 1HE MET1002 HE1 MET1002 1.392 18.282 -1.635 671 2HE MET1002 HE2 MET1002 2.098 18.502 -0.035 672 3HE MET1002 HE3 MET1002 2.560 17.111 -1.018 673 H LYS1003 H LYS1003 4.799 14.750 2.903 674 HA LYS1003 HA LYS1003 4.791 16.923 4.649 675 1HB LYS1003 HB1 LYS1003 5.500 14.689 5.353 676 2HB LYS1003 HB2 LYS1003 6.913 14.795 4.308 677 1HG LYS1003 HG1 LYS1003 7.728 16.688 5.603 678 2HG LYS1003 HG2 LYS1003 6.321 16.565 6.659 679 1HD LYS1003 HD1 LYS1003 8.190 15.504 7.741 680 2HD LYS1003 HD2 LYS1003 7.045 14.256 7.247 681 1HE LYS1003 HE1 LYS1003 8.396 13.625 5.401 682 2HE LYS1003 HE2 LYS1003 9.432 15.041 5.588 683 1HZ LYS1003 HZ1 LYS1003 9.214 12.784 7.514 684 2HZ LYS1003 HZ2 LYS1003 10.503 13.061 6.444 685 3HZ LYS1003 HZ3 LYS1003 10.199 14.154 7.706 686 H LEU1004 H LEU1004 6.801 16.140 1.911 687 HA LEU1004 HA LEU1004 8.896 18.011 2.423 688 1HB LEU1004 HB1 LEU1004 9.065 15.979 0.949 689 2HB LEU1004 HB2 LEU1004 8.084 16.825 -0.226 690 HG LEU1004 HG LEU1004 10.693 18.003 0.707 691 1HD1 LEU1004 1HD1 LEU1004 11.197 15.736 -0.019 692 2HD1 LEU1004 2HD1 LEU1004 10.316 16.009 -1.522 693 3HD1 LEU1004 3HD1 LEU1004 11.792 16.915 -1.189 694 1HD2 LEU1004 1HD2 LEU1004 9.171 18.226 -1.895 695 2HD2 LEU1004 2HD2 LEU1004 9.171 19.430 -0.606 696 3HD2 LEU1004 3HD2 LEU1004 10.660 19.077 -1.484 697 H ALA1005 H ALA1005 6.140 17.990 0.180 698 HA ALA1005 HA ALA1005 6.536 20.501 -0.926 699 1HB ALA1005 HB1 ALA1005 3.921 19.117 -0.330 700 2HB ALA1005 HB2 ALA1005 4.141 20.462 -1.450 701 3HB ALA1005 HB3 ALA1005 4.902 18.906 -1.782 702 H GLN1006 H GLN1006 4.759 19.531 1.921 703 HA GLN1006 HA GLN1006 3.978 22.182 2.617 704 1HB GLN1006 HB1 GLN1006 3.852 19.527 4.050 705 2HB GLN1006 HB2 GLN1006 3.221 21.021 4.745 706 1HG GLN1006 HG1 GLN1006 2.036 19.218 2.872 707 2HG GLN1006 HG2 GLN1006 1.309 20.559 3.753 708 1HE2 GLN1006 2HE2 GLN1006 1.415 22.673 2.775 709 2HE2 GLN1006 1HE2 GLN1006 1.529 22.832 1.056 710 H GLN1007 H GLN1007 6.838 20.397 2.971 711 HA GLN1007 HA GLN1007 7.671 21.826 5.334 712 1HB GLN1007 HB1 GLN1007 8.102 19.264 4.376 713 2HB GLN1007 HB2 GLN1007 9.611 20.088 4.053 714 1HG GLN1007 HG1 GLN1007 9.665 18.935 6.183 715 2HG GLN1007 HG2 GLN1007 9.800 20.680 6.417 716 1HE2 GLN1007 2HE2 GLN1007 6.761 19.101 5.624 717 2HE2 GLN1007 1HE2 GLN1007 6.021 19.367 7.170 718 H TYR1008 H TYR1008 8.433 21.511 1.964 719 HA TYR1008 HA TYR1008 10.688 23.351 2.126 720 1HB TYR1008 HB1 TYR1008 10.846 21.288 0.822 721 2HB TYR1008 HB2 TYR1008 9.432 21.739 -0.110 722 HD1 TYR1008 HD1 TYR1008 12.755 23.280 0.728 723 HD2 TYR1008 HD2 TYR1008 9.832 22.359 -2.231 724 HE1 TYR1008 HE1 TYR1008 14.218 24.247 -0.999 725 HE2 TYR1008 HE2 TYR1008 11.294 23.318 -3.974 726 HH TYR1008 HH TYR1008 14.571 24.054 -3.433 727 H VAL1009 H VAL1009 7.513 23.578 2.133 728 HA VAL1009 HA VAL1009 6.297 25.020 0.340 729 HB VAL1009 HB VAL1009 5.250 24.570 2.442 730 1HG1 VAL1009 1HG1 VAL1009 7.124 24.913 3.936 731 2HG1 VAL1009 2HG1 VAL1009 7.087 26.648 3.624 732 3HG1 VAL1009 3HG1 VAL1009 5.745 25.874 4.467 733 1HG2 VAL1009 1HG2 VAL1009 4.054 26.643 2.841 734 2HG2 VAL1009 2HG2 VAL1009 5.319 27.558 2.021 735 3HG2 VAL1009 3HG2 VAL1009 4.321 26.422 1.111 736 H MET1010 H MET1010 6.583 26.657 -0.881 737 HA MET1010 HA MET1010 7.760 29.117 0.216 738 1HB MET1010 HB1 MET1010 9.389 28.020 -1.321 739 2HB MET1010 HB2 MET1010 8.182 28.076 -2.599 740 1HG MET1010 HG1 MET1010 8.182 30.545 -2.425 741 2HG MET1010 HG2 MET1010 9.484 30.428 -1.241 742 1HE MET1010 HE1 MET1010 11.032 27.848 -2.559 743 2HE MET1010 HE2 MET1010 12.294 28.708 -3.442 744 3HE MET1010 HE3 MET1010 11.845 29.226 -1.817 745 H THR1011 H THR1011 6.787 31.022 -0.561 746 HA THR1011 HA THR1011 4.066 31.013 -0.959 747 HB THR1011 HB THR1011 5.891 33.153 -2.057 748 HG1 THR1011 HG1 THR1011 5.260 32.439 0.609 749 1HG2 THR1011 1HG2 THR1011 3.152 33.306 -0.788 750 2HG2 THR1011 2HG2 THR1011 4.074 34.656 -1.447 751 3HG2 THR1011 3HG2 THR1011 3.477 33.393 -2.522 752 H SER1012 H SER1012 2.987 30.050 -2.531 753 HA SER1012 HA SER1012 2.042 29.742 -4.559 754 1HB SER1012 HB1 SER1012 2.616 32.138 -4.997 755 2HB SER1012 HB2 SER1012 4.121 31.591 -5.738 756 HG SER1012 HG SER1012 2.610 31.843 -7.356 757 H LEU1013 H LEU1013 5.593 29.631 -4.587 758 HA LEU1013 HA LEU1013 5.723 27.743 -6.729 759 1HB LEU1013 HB1 LEU1013 7.729 28.698 -4.705 760 2HB LEU1013 HB2 LEU1013 8.105 27.385 -5.803 761 HG LEU1013 HG LEU1013 7.545 28.976 -7.701 762 1HD1 LEU1013 1HD1 LEU1013 7.705 31.362 -7.217 763 2HD1 LEU1013 2HD1 LEU1013 6.302 30.635 -6.433 764 3HD1 LEU1013 3HD1 LEU1013 7.743 31.011 -5.489 765 1HD2 LEU1013 1HD2 LEU1013 9.737 30.048 -7.616 766 2HD2 LEU1013 2HD2 LEU1013 9.876 29.636 -5.907 767 3HD2 LEU1013 3HD2 LEU1013 9.825 28.358 -7.122 768 H GLN1014 H GLN1014 4.759 27.451 -3.568 769 HA GLN1014 HA GLN1014 5.733 25.021 -2.660 770 1HB GLN1014 HB1 GLN1014 4.137 26.755 -1.562 771 2HB GLN1014 HB2 GLN1014 2.857 25.818 -2.317 772 1HG GLN1014 HG1 GLN1014 4.874 24.468 -0.590 773 2HG GLN1014 HG2 GLN1014 3.522 25.342 0.129 774 1HE2 GLN1014 2HE2 GLN1014 4.525 22.580 -1.687 775 2HE2 GLN1014 1HE2 GLN1014 2.987 21.772 -1.675 776 H GLN1015 H GLN1015 3.164 25.691 -4.965 777 HA GLN1015 HA GLN1015 1.908 23.200 -4.936 778 1HB GLN1015 HB1 GLN1015 0.874 23.872 -7.027 779 2HB GLN1015 HB2 GLN1015 0.873 25.200 -5.877 780 1HG GLN1015 HG1 GLN1015 2.887 26.109 -7.019 781 2HG GLN1015 HG2 GLN1015 2.703 24.853 -8.239 782 1HE2 GLN1015 2HE2 GLN1015 -0.204 24.962 -8.187 783 2HE2 GLN1015 1HE2 GLN1015 -0.645 26.424 -9.008 784 H GLU1016 H GLU1016 4.806 24.258 -6.602 785 HA GLU1016 HA GLU1016 5.127 22.260 -8.486 786 1HB GLU1016 HB1 GLU1016 6.668 24.072 -8.383 787 2HB GLU1016 HB2 GLU1016 7.067 23.734 -6.710 788 1HG GLU1016 HG1 GLU1016 8.864 23.143 -8.244 789 2HG GLU1016 HG2 GLU1016 8.270 21.745 -7.354 790 H TYR1017 H TYR1017 6.429 22.271 -5.197 791 HA TYR1017 HA TYR1017 7.182 19.647 -4.975 792 1HB TYR1017 HB1 TYR1017 5.943 20.806 -2.527 793 2HB TYR1017 HB2 TYR1017 7.521 20.061 -2.742 794 HD1 TYR1017 HD1 TYR1017 8.272 22.085 -5.068 795 HD2 TYR1017 HD2 TYR1017 6.770 22.520 -1.083 796 HE1 TYR1017 HE1 TYR1017 9.226 24.338 -4.961 797 HE2 TYR1017 HE2 TYR1017 7.708 24.779 -1.006 798 HH TYR1017 HH TYR1017 9.517 26.063 -2.084 799 H LYS1018 H LYS1018 3.988 21.024 -4.708 800 HA LYS1018 HA LYS1018 2.730 18.772 -3.504 801 1HB LYS1018 HB1 LYS1018 1.733 20.948 -3.262 802 2HB LYS1018 HB2 LYS1018 1.608 21.138 -5.004 803 1HG LYS1018 HG1 LYS1018 -0.037 19.354 -5.101 804 2HG LYS1018 HG2 LYS1018 0.114 19.103 -3.360 805 1HD LYS1018 HD1 LYS1018 -0.747 21.309 -2.921 806 2HD LYS1018 HD2 LYS1018 -0.764 21.687 -4.645 807 1HE LYS1018 HE1 LYS1018 -2.372 19.477 -3.374 808 2HE LYS1018 HE2 LYS1018 -2.994 21.094 -3.697 809 1HZ LYS1018 HZ1 LYS1018 -1.938 19.232 -5.761 810 2HZ LYS1018 HZ2 LYS1018 -3.579 19.503 -5.446 811 3HZ LYS1018 HZ3 LYS1018 -2.610 20.760 -6.046 812 H LYS1019 H LYS1019 2.953 19.907 -6.883 813 HA LYS1019 HA LYS1019 1.248 17.836 -7.846 814 1HB LYS1019 HB1 LYS1019 1.913 18.531 -10.088 815 2HB LYS1019 HB2 LYS1019 1.475 19.911 -9.096 816 1HG LYS1019 HG1 LYS1019 3.823 20.444 -8.768 817 2HG LYS1019 HG2 LYS1019 4.284 19.026 -9.714 818 1HD LYS1019 HD1 LYS1019 3.079 19.958 -11.650 819 2HD LYS1019 HD2 LYS1019 2.704 21.397 -10.702 820 1HE LYS1019 HE1 LYS1019 4.617 21.746 -12.188 821 2HE LYS1019 HE2 LYS1019 5.059 21.907 -10.490 822 1HZ LYS1019 HZ1 LYS1019 5.384 19.286 -11.758 823 2HZ LYS1019 HZ2 LYS1019 6.494 20.502 -12.152 824 3HZ LYS1019 HZ3 LYS1019 6.305 20.020 -10.535 825 H GLN1020 H GLN1020 4.728 18.099 -7.373 826 HA GLN1020 HA GLN1020 5.497 15.710 -8.604 827 1HB GLN1020 HB1 GLN1020 6.507 16.946 -6.036 828 2HB GLN1020 HB2 GLN1020 7.315 15.652 -6.908 829 1HG GLN1020 HG1 GLN1020 7.671 17.111 -8.803 830 2HG GLN1020 HG2 GLN1020 6.775 18.403 -8.003 831 1HE2 GLN1020 2HE2 GLN1020 8.529 19.797 -8.065 832 2HE2 GLN1020 1HE2 GLN1020 9.909 19.587 -7.027 833 H MET1021 H MET1021 4.187 16.333 -5.376 834 HA MET1021 HA MET1021 4.214 13.689 -4.433 835 1HB MET1021 HB1 MET1021 3.909 15.500 -2.889 836 2HB MET1021 HB2 MET1021 2.470 16.053 -3.729 837 1HG MET1021 HG1 MET1021 2.561 13.335 -2.485 838 2HG MET1021 HG2 MET1021 2.226 14.766 -1.513 839 1HE MET1021 HE1 MET1021 0.355 12.114 -2.042 840 2HE MET1021 HE2 MET1021 -0.075 13.368 -0.879 841 3HE MET1021 HE3 MET1021 -1.240 12.866 -2.105 842 H LEU1022 H LEU1022 1.777 15.510 -6.235 843 HA LEU1022 HA LEU1022 -0.304 13.659 -6.142 844 1HB LEU1022 HB1 LEU1022 -0.536 15.966 -6.971 845 2HB LEU1022 HB2 LEU1022 0.407 15.549 -8.390 846 HG LEU1022 HG LEU1022 -1.365 13.922 -9.038 847 1HD1 LEU1022 1HD1 LEU1022 -2.308 13.515 -6.828 848 2HD1 LEU1022 2HD1 LEU1022 -2.885 15.180 -6.758 849 3HD1 LEU1022 3HD1 LEU1022 -3.546 14.066 -7.955 850 1HD2 LEU1022 1HD2 LEU1022 -2.315 16.756 -8.651 851 2HD2 LEU1022 2HD2 LEU1022 -1.279 16.192 -9.962 852 3HD2 LEU1022 3HD2 LEU1022 -2.934 15.597 -9.828 853 H THR1023 H THR1023 2.448 13.887 -8.338 854 HA THR1023 HA THR1023 1.654 11.742 -10.028 855 HB THR1023 HB THR1023 4.456 12.771 -9.517 856 HG1 THR1023 HG1 THR1023 3.379 14.524 -10.252 857 1HG2 THR1023 1HG2 THR1023 3.274 11.333 -11.901 858 2HG2 THR1023 2HG2 THR1023 4.931 11.924 -11.762 859 3HG2 THR1023 3HG2 THR1023 4.367 10.625 -10.711 860 H ALA1024 H ALA1024 3.908 11.988 -7.297 861 HA ALA1024 HA ALA1024 4.662 9.305 -7.162 862 1HB ALA1024 HB1 ALA1024 5.807 11.106 -5.967 863 2HB ALA1024 HB2 ALA1024 4.418 11.273 -4.892 864 3HB ALA1024 HB3 ALA1024 5.366 9.785 -4.886 865 H ALA1025 H ALA1025 1.856 10.961 -5.816 866 HA ALA1025 HA ALA1025 0.911 8.961 -4.110 867 1HB ALA1025 HB1 ALA1025 -0.703 10.937 -5.721 868 2HB ALA1025 HB2 ALA1025 -1.273 10.035 -4.318 869 3HB ALA1025 HB3 ALA1025 0.008 11.235 -4.135 870 H HIS1026 H HIS1026 0.543 9.411 -7.569 871 HA HIS1026 HA HIS1026 -1.309 7.304 -7.989 872 1HB HIS1026 HB1 HIS1026 -0.671 9.204 -9.590 873 2HB HIS1026 HB2 HIS1026 0.747 8.246 -9.991 874 HD1 HIS1026 HD1 HIS1026 -0.481 8.451 -12.430 875 HD2 HIS1026 HD2 HIS1026 -2.242 5.938 -9.617 876 HE1 HIS1026 HE1 HIS1026 -2.034 6.954 -13.729 877 HE2 HIS1026 HE2 HIS1026 -3.231 5.579 -11.986 878 H ALA1027 H ALA1027 2.155 7.466 -7.650 879 HA ALA1027 HA ALA1027 2.718 4.869 -8.676 880 1HB ALA1027 HB1 ALA1027 4.397 6.654 -8.621 881 2HB ALA1027 HB2 ALA1027 4.400 6.584 -6.859 882 3HB ALA1027 HB3 ALA1027 4.952 5.197 -7.797 883 H LEU1028 H LEU1028 2.768 6.106 -5.309 884 HA LEU1028 HA LEU1028 3.134 3.617 -4.095 885 1HB LEU1028 HB1 LEU1028 3.527 5.470 -2.745 886 2HB LEU1028 HB2 LEU1028 1.976 6.199 -3.068 887 HG LEU1028 HG LEU1028 0.929 4.342 -1.721 888 1HD1 LEU1028 1HD1 LEU1028 2.722 2.718 -1.939 889 2HD1 LEU1028 2HD1 LEU1028 3.771 3.756 -0.973 890 3HD1 LEU1028 3HD1 LEU1028 2.327 3.045 -0.251 891 1HD2 LEU1028 1HD2 LEU1028 2.929 6.129 -0.386 892 2HD2 LEU1028 2HD2 LEU1028 1.265 6.534 -0.810 893 3HD2 LEU1028 3HD2 LEU1028 1.589 5.312 0.420 894 H ALA1029 H ALA1029 0.072 5.219 -4.930 895 HA ALA1029 HA ALA1029 -1.710 3.293 -4.101 896 1HB ALA1029 HB1 ALA1029 -3.184 4.009 -5.885 897 2HB ALA1029 HB2 ALA1029 -2.355 5.402 -5.193 898 3HB ALA1029 HB3 ALA1029 -1.830 4.744 -6.743 899 H VAL1030 H VAL1030 0.351 3.218 -6.944 900 HA VAL1030 HA VAL1030 -0.608 0.801 -8.064 901 HB VAL1030 HB VAL1030 2.149 2.028 -8.280 902 1HG1 VAL1030 1HG1 VAL1030 2.477 0.589 -10.228 903 2HG1 VAL1030 2HG1 VAL1030 2.244 -0.366 -8.763 904 3HG1 VAL1030 3HG1 VAL1030 0.925 -0.191 -9.919 905 1HG2 VAL1030 1HG2 VAL1030 0.393 3.432 -9.191 906 2HG2 VAL1030 2HG2 VAL1030 1.370 2.751 -10.493 907 3HG2 VAL1030 3HG2 VAL1030 -0.221 2.078 -10.139 908 H ASP1031 H ASP1031 1.807 1.457 -5.586 909 HA ASP1031 HA ASP1031 2.884 -1.112 -5.313 910 1HB ASP1031 HB1 ASP1031 2.395 0.814 -3.037 911 2HB ASP1031 HB2 ASP1031 3.630 -0.436 -3.128 912 H ALA1032 H ALA1032 0.121 0.400 -3.734 913 HA ALA1032 HA ALA1032 -0.717 -1.785 -2.152 914 1HB ALA1032 HB1 ALA1032 -2.391 0.367 -3.452 915 2HB ALA1032 HB2 ALA1032 -2.913 -0.698 -2.146 916 3HB ALA1032 HB3 ALA1032 -1.622 0.470 -1.868 917 H LYS1033 H LYS1033 -1.802 -0.714 -5.366 918 HA LYS1033 HA LYS1033 -3.512 -2.802 -5.967 919 1HB LYS1033 HB1 LYS1033 -3.149 -0.680 -7.285 920 2HB LYS1033 HB2 LYS1033 -1.713 -1.421 -7.968 921 1HG LYS1033 HG1 LYS1033 -4.374 -2.766 -8.200 922 2HG LYS1033 HG2 LYS1033 -3.923 -1.466 -9.301 923 1HD LYS1033 HD1 LYS1033 -1.976 -2.716 -10.028 924 2HD LYS1033 HD2 LYS1033 -2.322 -3.989 -8.855 925 1HE LYS1033 HE1 LYS1033 -3.051 -4.628 -11.098 926 2HE LYS1033 HE2 LYS1033 -4.418 -4.488 -9.994 927 1HZ LYS1033 HZ1 LYS1033 -3.578 -2.420 -11.957 928 2HZ LYS1033 HZ2 LYS1033 -4.881 -3.482 -12.151 929 3HZ LYS1033 HZ3 LYS1033 -4.917 -2.324 -10.921 930 H ASN1034 H ASN1034 0.014 -2.668 -6.269 931 HA ASN1034 HA ASN1034 0.205 -5.132 -7.687 932 1HB ASN1034 HB1 ASN1034 1.969 -3.410 -7.786 933 2HB ASN1034 HB2 ASN1034 2.337 -3.703 -6.087 934 1HD2 ASN1034 2HD2 ASN1034 4.467 -4.259 -6.682 935 2HD2 ASN1034 1HD2 ASN1034 4.827 -5.801 -7.377 936 H LEU1035 H LEU1035 0.977 -4.307 -4.273 937 HA LEU1035 HA LEU1035 1.477 -6.934 -3.448 938 1HB LEU1035 HB1 LEU1035 1.913 -4.889 -2.051 939 2HB LEU1035 HB2 LEU1035 0.187 -4.796 -1.722 940 HG LEU1035 HG LEU1035 0.451 -7.211 -0.822 941 1HD1 LEU1035 1HD1 LEU1035 2.662 -7.721 0.068 942 2HD1 LEU1035 2HD1 LEU1035 2.690 -7.597 -1.693 943 3HD1 LEU1035 3HD1 LEU1035 3.310 -6.274 -0.705 944 1HD2 LEU1035 1HD2 LEU1035 1.676 -4.896 0.661 945 2HD2 LEU1035 2HD2 LEU1035 -0.044 -5.278 0.577 946 3HD2 LEU1035 3HD2 LEU1035 1.069 -6.387 1.379 947 H LEU1036 H LEU1036 -1.597 -5.276 -3.834 948 HA LEU1036 HA LEU1036 -3.362 -7.014 -2.611 949 1HB LEU1036 HB1 LEU1036 -3.926 -4.859 -3.736 950 2HB LEU1036 HB2 LEU1036 -3.722 -5.649 -5.287 951 HG LEU1036 HG LEU1036 -5.604 -7.135 -4.785 952 1HD1 LEU1036 1HD1 LEU1036 -5.853 -5.502 -2.263 953 2HD1 LEU1036 2HD1 LEU1036 -7.000 -6.716 -2.831 954 3HD1 LEU1036 3HD1 LEU1036 -5.370 -7.196 -2.361 955 1HD2 LEU1036 1HD2 LEU1036 -6.251 -4.216 -4.397 956 2HD2 LEU1036 2HD2 LEU1036 -5.985 -5.014 -5.946 957 3HD2 LEU1036 3HD2 LEU1036 -7.365 -5.468 -4.946 958 H ASP1037 H ASP1037 -2.078 -7.095 -5.811 959 HA ASP1037 HA ASP1037 -3.061 -9.659 -6.586 960 1HB ASP1037 HB1 ASP1037 -2.268 -7.907 -8.197 961 2HB ASP1037 HB2 ASP1037 -0.624 -8.201 -7.645 962 H VAL1038 H VAL1038 -0.068 -8.466 -5.204 963 HA VAL1038 HA VAL1038 1.554 -10.701 -5.206 964 HB VAL1038 HB VAL1038 1.276 -8.409 -3.295 965 1HG1 VAL1038 1HG1 VAL1038 2.102 -10.228 -1.941 966 2HG1 VAL1038 2HG1 VAL1038 3.348 -10.588 -3.136 967 3HG1 VAL1038 3HG1 VAL1038 3.394 -9.067 -2.243 968 1HG2 VAL1038 1HG2 VAL1038 3.371 -9.154 -5.325 969 2HG2 VAL1038 2HG2 VAL1038 2.146 -7.896 -5.491 970 3HG2 VAL1038 3HG2 VAL1038 3.419 -7.733 -4.282 971 H ILE1039 H ILE1039 -0.447 -9.643 -2.494 972 HA ILE1039 HA ILE1039 0.116 -12.077 -1.091 973 HB ILE1039 HB ILE1039 -1.435 -11.020 0.695 974 1HG1 ILE1039 1HG1 ILE1039 -1.473 -8.571 0.655 975 2HG1 ILE1039 2HG1 ILE1039 -0.729 -8.569 -0.938 976 1HG2 ILE1039 1HG2 ILE1039 0.466 -9.747 1.558 977 2HG2 ILE1039 2HG2 ILE1039 0.960 -11.311 0.911 978 3HG2 ILE1039 3HG2 ILE1039 1.240 -9.842 -0.023 979 1HD1 ILE1039 1HD1 ILE1039 -3.456 -9.639 -0.256 980 2HD1 ILE1039 2HD1 ILE1039 -3.100 -8.111 -1.064 981 3HD1 ILE1039 3HD1 ILE1039 -2.717 -9.639 -1.858 982 H ASP1040 H ASP1040 -2.826 -10.711 -2.590 983 HA ASP1040 HA ASP1040 -4.515 -12.833 -2.009 984 1HB ASP1040 HB1 ASP1040 -5.206 -10.894 -3.399 985 2HB ASP1040 HB2 ASP1040 -4.223 -11.509 -4.724 986 H GLN1041 H GLN1041 -1.900 -12.571 -4.261 987 HA GLN1041 HA GLN1041 -2.072 -15.292 -5.172 988 1HB GLN1041 HB1 GLN1041 -0.230 -13.058 -5.623 989 2HB GLN1041 HB2 GLN1041 0.544 -14.638 -5.572 990 1HG GLN1041 HG1 GLN1041 -0.125 -13.881 -7.847 991 2HG GLN1041 HG2 GLN1041 -0.780 -15.444 -7.368 992 1HE2 GLN1041 2HE2 GLN1041 -1.507 -12.116 -8.053 993 2HE2 GLN1041 1HE2 GLN1041 -3.228 -12.305 -8.145 994 H ALA1042 H ALA1042 -0.270 -13.562 -2.636 995 HA ALA1042 HA ALA1042 1.351 -15.549 -1.700 996 1HB ALA1042 HB1 ALA1042 -0.214 -13.603 -0.026 997 2HB ALA1042 HB2 ALA1042 1.207 -14.505 0.500 998 3HB ALA1042 HB3 ALA1042 1.350 -13.299 -0.779 999 H ARG1043 H ARG1043 -1.986 -14.914 -0.652 1000 HA ARG1043 HA ARG1043 -2.196 -17.112 1.040 1001 1HB ARG1043 HB1 ARG1043 -3.889 -15.066 0.098 1002 2HB ARG1043 HB2 ARG1043 -4.727 -16.583 -0.205 1003 1HG ARG1043 HG1 ARG1043 -5.267 -15.589 1.991 1004 2HG ARG1043 HG2 ARG1043 -4.565 -17.202 2.111 1005 1HD ARG1043 HD1 ARG1043 -2.402 -16.250 2.674 1006 2HD ARG1043 HD2 ARG1043 -3.045 -14.620 2.473 1007 HE ARG1043 HE ARG1043 -4.656 -15.440 4.365 1008 1HH1 ARG1043 2HH1 ARG1043 -1.212 -16.109 4.116 1009 2HH1 ARG1043 1HH1 ARG1043 -0.995 -16.223 5.832 1010 1HH2 ARG1043 2HH2 ARG1043 -4.366 -15.599 6.591 1011 2HH2 ARG1043 1HH2 ARG1043 -2.780 -15.933 7.244 1012 H LEU1044 H LEU1044 -2.621 -16.913 -2.463 1013 HA LEU1044 HA LEU1044 -3.345 -19.687 -2.714 1014 1HB LEU1044 HB1 LEU1044 -2.548 -17.554 -4.639 1015 2HB LEU1044 HB2 LEU1044 -2.493 -19.221 -5.156 1016 HG LEU1044 HG LEU1044 -4.906 -19.437 -4.592 1017 1HD1 LEU1044 1HD1 LEU1044 -5.084 -17.646 -2.948 1018 2HD1 LEU1044 2HD1 LEU1044 -4.765 -16.452 -4.207 1019 3HD1 LEU1044 3HD1 LEU1044 -6.236 -17.422 -4.266 1020 1HD2 LEU1044 1HD2 LEU1044 -4.178 -17.283 -6.568 1021 2HD2 LEU1044 2HD2 LEU1044 -4.195 -19.020 -6.870 1022 3HD2 LEU1044 3HD2 LEU1044 -5.703 -18.169 -6.532 1023 H LYS1045 H LYS1045 -0.333 -17.867 -2.726 1024 HA LYS1045 HA LYS1045 1.429 -19.865 -3.608 1025 1HB LYS1045 HB1 LYS1045 1.935 -17.774 -1.466 1026 2HB LYS1045 HB2 LYS1045 3.170 -18.689 -2.301 1027 1HG LYS1045 HG1 LYS1045 1.352 -16.617 -3.479 1028 2HG LYS1045 HG2 LYS1045 3.084 -16.485 -3.176 1029 1HD LYS1045 HD1 LYS1045 3.547 -18.166 -4.847 1030 2HD LYS1045 HD2 LYS1045 1.825 -18.463 -5.083 1031 1HE LYS1045 HE1 LYS1045 2.576 -17.094 -6.888 1032 2HE LYS1045 HE2 LYS1045 1.597 -16.086 -5.827 1033 1HZ LYS1045 HZ1 LYS1045 3.587 -14.919 -6.535 1034 2HZ LYS1045 HZ2 LYS1045 3.645 -15.206 -4.866 1035 3HZ LYS1045 HZ3 LYS1045 4.570 -16.160 -5.915 1036 H MET1046 H MET1046 -0.052 -19.175 -0.538 1037 HA MET1046 HA MET1046 1.401 -21.097 0.975 1038 1HB MET1046 HB1 MET1046 0.112 -19.106 1.846 1039 2HB MET1046 HB2 MET1046 -1.354 -20.021 1.533 1040 1HG MET1046 HG1 MET1046 -0.698 -21.705 3.118 1041 2HG MET1046 HG2 MET1046 0.865 -20.919 3.342 1042 1HE MET1046 HE1 MET1046 -3.030 -20.588 3.877 1043 2HE MET1046 HE2 MET1046 -3.135 -19.000 4.636 1044 3HE MET1046 HE3 MET1046 -2.619 -19.141 2.955 1045 H ILE1047 H ILE1047 -1.643 -21.124 -0.794 1046 HA ILE1047 HA ILE1047 -2.396 -23.792 -0.272 1047 HB ILE1047 HB ILE1047 -2.933 -22.099 -2.719 1048 1HG1 ILE1047 1HG1 ILE1047 -3.796 -21.071 -0.685 1049 2HG1 ILE1047 2HG1 ILE1047 -5.128 -21.690 -1.656 1050 1HG2 ILE1047 1HG2 ILE1047 -4.814 -23.618 -3.128 1051 2HG2 ILE1047 2HG2 ILE1047 -3.262 -24.452 -3.211 1052 3HG2 ILE1047 3HG2 ILE1047 -4.282 -24.627 -1.783 1053 1HD1 ILE1047 1HD1 ILE1047 -5.299 -23.630 -0.191 1054 2HD1 ILE1047 2HD1 ILE1047 -3.950 -23.028 0.771 1055 3HD1 ILE1047 3HD1 ILE1047 -5.464 -22.125 0.714 1056 H SER1048 H SER1048 -0.397 -22.268 -2.735 1057 HA SER1048 HA SER1048 0.147 -24.426 -4.387 1058 1HB SER1048 HB1 SER1048 2.003 -22.142 -3.655 1059 2HB SER1048 HB2 SER1048 2.132 -23.163 -5.090 1060 HG SER1048 HG SER1048 -0.249 -21.745 -4.548 1061 H GLN1049 H GLN1049 1.935 -23.375 -1.479 1062 HA GLN1049 HA GLN1049 4.001 -25.248 -1.665 1063 1HB GLN1049 HB1 GLN1049 4.286 -23.451 -0.129 1064 2HB GLN1049 HB2 GLN1049 2.811 -23.867 0.738 1065 1HG GLN1049 HG1 GLN1049 3.838 -25.927 1.533 1066 2HG GLN1049 HG2 GLN1049 5.303 -25.557 0.631 1067 1HE2 GLN1049 2HE2 GLN1049 3.329 -24.692 3.372 1068 2HE2 GLN1049 1HE2 GLN1049 4.538 -23.777 4.201 1069 H SER1050 H SER1050 1.008 -25.472 0.276 1070 HA SER1050 HA SER1050 0.993 -28.330 -0.026 1071 1HB SER1050 HB1 SER1050 2.693 -28.043 1.738 1072 2HB SER1050 HB2 SER1050 1.526 -27.153 2.712 1073 HG SER1050 HG SER1050 0.202 -29.146 2.526 1074 H ARG1051 H ARG1051 -0.550 -25.417 0.593 1075 HA ARG1051 HA ARG1051 -2.643 -24.784 1.184 1076 1HB ARG1051 HB1 ARG1051 -3.392 -26.184 -0.606 1077 2HB ARG1051 HB2 ARG1051 -3.209 -27.634 0.368 1078 1HG ARG1051 HG1 ARG1051 -5.063 -26.988 1.763 1079 2HG ARG1051 HG2 ARG1051 -5.196 -25.440 0.926 1080 1HD ARG1051 HD1 ARG1051 -6.856 -27.161 0.203 1081 2HD ARG1051 HD2 ARG1051 -5.863 -26.502 -1.096 1082 HE ARG1051 HE ARG1051 -4.468 -28.648 -0.590 1083 1HH1 ARG1051 2HH1 ARG1051 -7.951 -28.381 -0.505 1084 2HH1 ARG1051 1HH1 ARG1051 -8.223 -30.000 -1.086 1085 1HH2 ARG1051 2HH2 ARG1051 -4.795 -30.748 -1.376 1086 2HH2 ARG1051 1HH2 ARG1051 -6.415 -31.355 -1.585 1087 HA PRO1052 HA PRO1052 -2.019 -25.930 5.513 1088 1HB PRO1052 HB1 PRO1052 -3.853 -23.611 5.816 1089 2HB PRO1052 HB2 PRO1052 -2.305 -23.936 6.605 1090 1HG PRO1052 HG1 PRO1052 -2.470 -22.125 4.673 1091 2HG PRO1052 HG2 PRO1052 -1.073 -23.214 4.779 1092 1HD PRO1052 HD1 PRO1052 -3.436 -23.334 2.945 1093 2HD PRO1052 HD2 PRO1052 -1.723 -23.650 2.598 1094 H HIS1053 H HIS1053 -3.098 -27.466 6.469 1095 HA HIS1053 HA HIS1053 -6.017 -27.291 6.639 1096 1HB HIS1053 HB1 HIS1053 -6.089 -29.815 6.457 1097 2HB HIS1053 HB2 HIS1053 -5.712 -28.962 4.968 1098 HD1 HIS1053 HD1 HIS1053 -4.190 -31.234 7.536 1099 HD2 HIS1053 HD2 HIS1053 -3.181 -29.455 3.914 1100 HE1 HIS1053 HE1 HIS1053 -2.082 -32.377 6.780 1101 HE2 HIS1053 HE2 HIS1053 -1.550 -31.370 4.534 Start of MODEL 16 1 1H ARG 920 H ARG 920 -7.712 -19.017 -1.652 2 HA ARG 920 HA ARG 920 -8.348 -19.321 1.133 3 1HB ARG 920 HB1 ARG 920 -6.942 -16.997 -0.158 4 2HB ARG 920 HB2 ARG 920 -6.840 -17.510 1.519 5 1HG ARG 920 HG1 ARG 920 -5.918 -19.153 -0.795 6 2HG ARG 920 HG2 ARG 920 -4.880 -18.073 0.118 7 1HD ARG 920 HD1 ARG 920 -4.502 -20.165 1.073 8 2HD ARG 920 HD2 ARG 920 -5.594 -19.358 2.182 9 HE ARG 920 HE ARG 920 -7.121 -20.886 0.413 10 1HH1 ARG 920 2HH1 ARG 920 -4.810 -21.330 3.004 11 2HH1 ARG 920 1HH1 ARG 920 -5.365 -22.927 3.396 12 1HH2 ARG 920 2HH2 ARG 920 -7.851 -22.988 0.919 13 2HH2 ARG 920 1HH2 ARG 920 -7.112 -23.863 2.235 14 H SER 921 H SER 921 -10.284 -18.027 -1.149 15 HA SER 921 HA SER 921 -11.752 -16.307 -1.385 16 1HB SER 921 HB1 SER 921 -12.599 -17.125 0.811 17 2HB SER 921 HB2 SER 921 -11.471 -16.044 1.627 18 HG SER 921 HG SER 921 -12.650 -14.334 1.060 19 H ASN 922 H ASN 922 -8.778 -16.035 -1.212 20 HA ASN 922 HA ASN 922 -7.083 -14.528 -1.189 21 1HB ASN 922 HB1 ASN 922 -9.032 -12.311 -1.693 22 2HB ASN 922 HB2 ASN 922 -7.416 -12.528 -2.346 23 1HD2 ASN 922 2HD2 ASN 922 -7.759 -15.235 -3.161 24 2HD2 ASN 922 1HD2 ASN 922 -8.815 -15.251 -4.520 25 H ASP 923 H ASP 923 -6.906 -14.966 0.958 26 HA ASP 923 HA ASP 923 -8.347 -14.073 3.080 27 1HB ASP 923 HB1 ASP 923 -6.421 -15.790 2.885 28 2HB ASP 923 HB2 ASP 923 -5.370 -14.435 3.274 29 H LYS 924 H LYS 924 -6.934 -12.863 4.933 30 HA LYS 924 HA LYS 924 -7.500 -10.194 4.690 31 1HB LYS 924 HB1 LYS 924 -6.588 -11.802 6.676 32 2HB LYS 924 HB2 LYS 924 -5.172 -10.804 6.398 33 1HG LYS 924 HG1 LYS 924 -7.928 -9.783 7.072 34 2HG LYS 924 HG2 LYS 924 -6.582 -9.935 8.198 35 1HD LYS 924 HD1 LYS 924 -5.305 -8.409 6.609 36 2HD LYS 924 HD2 LYS 924 -6.863 -8.079 5.855 37 1HE LYS 924 HE1 LYS 924 -6.251 -7.673 8.771 38 2HE LYS 924 HE2 LYS 924 -6.172 -6.405 7.550 39 1HZ LYS 924 HZ1 LYS 924 -8.263 -6.319 8.713 40 2HZ LYS 924 HZ2 LYS 924 -8.547 -6.774 7.108 41 3HZ LYS 924 HZ3 LYS 924 -8.598 -7.936 8.342 42 H VAL 925 H VAL 925 -5.063 -11.739 3.048 43 HA VAL 925 HA VAL 925 -3.139 -9.640 2.871 44 HB VAL 925 HB VAL 925 -2.598 -11.062 0.676 45 1HG1 VAL 925 1HG1 VAL 925 -1.130 -10.808 2.627 46 2HG1 VAL 925 2HG1 VAL 925 -2.068 -12.022 3.498 47 3HG1 VAL 925 3HG1 VAL 925 -1.149 -12.479 2.064 48 1HG2 VAL 925 1HG2 VAL 925 -4.642 -12.418 0.868 49 2HG2 VAL 925 2HG2 VAL 925 -3.177 -13.396 0.960 50 3HG2 VAL 925 3HG2 VAL 925 -4.080 -13.021 2.428 51 H TYR 926 H TYR 926 -5.830 -10.816 0.730 52 HA TYR 926 HA TYR 926 -5.265 -8.737 -1.230 53 1HB TYR 926 HB1 TYR 926 -6.298 -10.655 -2.126 54 2HB TYR 926 HB2 TYR 926 -7.426 -10.807 -0.788 55 HD1 TYR 926 HD1 TYR 926 -9.562 -9.751 -0.853 56 HD2 TYR 926 HD2 TYR 926 -6.687 -8.935 -3.882 57 HE1 TYR 926 HE1 TYR 926 -11.296 -8.638 -2.194 58 HE2 TYR 926 HE2 TYR 926 -8.414 -7.817 -5.223 59 HH TYR 926 HH TYR 926 -11.581 -7.135 -3.953 60 H GLU 927 H GLU 927 -7.068 -9.146 1.655 61 HA GLU 927 HA GLU 927 -8.970 -7.060 1.323 62 1HB GLU 927 HB1 GLU 927 -7.958 -8.548 3.751 63 2HB GLU 927 HB2 GLU 927 -9.316 -7.442 3.786 64 1HG GLU 927 HG1 GLU 927 -10.583 -8.871 2.333 65 2HG GLU 927 HG2 GLU 927 -9.188 -9.924 2.095 66 H ASN 928 H ASN 928 -6.053 -7.318 3.363 67 HA ASN 928 HA ASN 928 -6.385 -4.740 4.492 68 1HB ASN 928 HB1 ASN 928 -5.033 -6.791 5.331 69 2HB ASN 928 HB2 ASN 928 -3.736 -6.126 4.348 70 1HD2 ASN 928 2HD2 ASN 928 -3.830 -6.504 7.180 71 2HD2 ASN 928 1HD2 ASN 928 -3.608 -4.945 7.902 72 H VAL 929 H VAL 929 -4.583 -5.907 1.718 73 HA VAL 929 HA VAL 929 -3.150 -3.499 1.312 74 HB VAL 929 HB VAL 929 -2.467 -5.618 0.268 75 1HG1 VAL 929 1HG1 VAL 929 -4.841 -5.277 -1.547 76 2HG1 VAL 929 2HG1 VAL 929 -3.615 -6.540 -1.628 77 3HG1 VAL 929 3HG1 VAL 929 -4.711 -6.466 -0.249 78 1HG2 VAL 929 1HG2 VAL 929 -3.084 -3.410 -1.690 79 2HG2 VAL 929 2HG2 VAL 929 -1.666 -3.523 -0.648 80 3HG2 VAL 929 3HG2 VAL 929 -1.907 -4.702 -1.937 81 H THR 930 H THR 930 -6.202 -4.709 -0.140 82 HA THR 930 HA THR 930 -7.101 -2.442 -1.325 83 HB THR 930 HB THR 930 -8.775 -4.255 0.432 84 HG1 THR 930 HG1 THR 930 -7.978 -5.600 -1.072 85 1HG2 THR 930 1HG2 THR 930 -10.633 -3.593 -1.032 86 2HG2 THR 930 2HG2 THR 930 -9.955 -2.200 -0.187 87 3HG2 THR 930 3HG2 THR 930 -9.563 -2.478 -1.884 88 H GLY 931 H GLY 931 -6.813 -3.060 2.107 89 1HA GLY 931 HA1 GLY 931 -8.232 -0.779 3.046 90 2HA GLY 931 HA2 GLY 931 -7.027 -1.691 3.944 91 H LEU 932 H LEU 932 -4.925 -1.331 2.013 92 HA LEU 932 HA LEU 932 -3.826 1.145 2.752 93 1HB LEU 932 HB1 LEU 932 -2.374 -0.610 2.074 94 2HB LEU 932 HB2 LEU 932 -3.209 -0.803 0.546 95 HG LEU 932 HG LEU 932 -2.271 1.257 -0.298 96 1HD1 LEU 932 1HD1 LEU 932 -0.951 1.545 2.394 97 2HD1 LEU 932 2HD1 LEU 932 -0.665 2.565 0.984 98 3HD1 LEU 932 3HD1 LEU 932 -2.249 2.559 1.759 99 1HD2 LEU 932 1HD2 LEU 932 0.082 0.646 -0.340 100 2HD2 LEU 932 2HD2 LEU 932 -0.161 -0.426 1.041 101 3HD2 LEU 932 3HD2 LEU 932 -0.943 -0.781 -0.500 102 H VAL 933 H VAL 933 -5.250 0.108 -0.358 103 HA VAL 933 HA VAL 933 -5.342 2.646 -1.550 104 HB VAL 933 HB VAL 933 -7.299 0.381 -1.975 105 1HG1 VAL 933 1HG1 VAL 933 -8.096 2.462 -2.927 106 2HG1 VAL 933 2HG1 VAL 933 -6.544 2.721 -3.726 107 3HG1 VAL 933 3HG1 VAL 933 -7.576 1.376 -4.214 108 1HG2 VAL 933 1HG2 VAL 933 -5.004 -0.376 -2.261 109 2HG2 VAL 933 2HG2 VAL 933 -5.831 -0.292 -3.816 110 3HG2 VAL 933 3HG2 VAL 933 -4.683 0.968 -3.358 111 H LYS 934 H LYS 934 -7.392 1.169 0.813 112 HA LYS 934 HA LYS 934 -9.619 2.947 0.526 113 1HB LYS 934 HB1 LYS 934 -8.923 0.656 2.167 114 2HB LYS 934 HB2 LYS 934 -9.730 1.897 3.108 115 1HG LYS 934 HG1 LYS 934 -11.376 0.375 2.336 116 2HG LYS 934 HG2 LYS 934 -11.577 1.874 1.438 117 1HD LYS 934 HD1 LYS 934 -10.105 -0.540 0.389 118 2HD LYS 934 HD2 LYS 934 -11.815 -0.235 0.095 119 1HE LYS 934 HE1 LYS 934 -11.039 2.023 -0.850 120 2HE LYS 934 HE2 LYS 934 -9.427 1.305 -0.874 121 1HZ LYS 934 HZ1 LYS 934 -10.223 -0.425 -2.328 122 2HZ LYS 934 HZ2 LYS 934 -11.812 0.165 -2.236 123 3HZ LYS 934 HZ3 LYS 934 -10.611 1.083 -2.996 124 H ALA 935 H ALA 935 -6.868 2.764 2.766 125 HA ALA 935 HA ALA 935 -7.694 5.089 4.211 126 1HB ALA 935 HB1 ALA 935 -5.024 3.712 4.205 127 2HB ALA 935 HB2 ALA 935 -5.578 4.911 5.374 128 3HB ALA 935 HB3 ALA 935 -6.377 3.344 5.273 129 H VAL 936 H VAL 936 -5.685 4.540 1.377 130 HA VAL 936 HA VAL 936 -4.690 7.225 1.422 131 HB VAL 936 HB VAL 936 -3.511 5.409 0.187 132 1HG1 VAL 936 1HG1 VAL 936 -5.705 5.766 -1.850 133 2HG1 VAL 936 2HG1 VAL 936 -4.251 4.788 -2.042 134 3HG1 VAL 936 3HG1 VAL 936 -5.462 4.340 -0.841 135 1HG2 VAL 936 1HG2 VAL 936 -2.970 7.726 -0.240 136 2HG2 VAL 936 2HG2 VAL 936 -2.881 6.798 -1.737 137 3HG2 VAL 936 3HG2 VAL 936 -4.271 7.837 -1.425 138 H ILE 937 H ILE 937 -7.674 5.783 0.623 139 HA ILE 937 HA ILE 937 -8.702 7.916 -0.968 140 HB ILE 937 HB ILE 937 -10.141 5.923 0.799 141 1HG1 ILE 937 1HG1 ILE 937 -9.035 4.926 -1.139 142 2HG1 ILE 937 2HG1 ILE 937 -10.784 4.885 -1.339 143 1HG2 ILE 937 1HG2 ILE 937 -11.473 7.961 0.577 144 2HG2 ILE 937 2HG2 ILE 937 -11.325 7.869 -1.179 145 3HG2 ILE 937 3HG2 ILE 937 -12.204 6.617 -0.301 146 1HD1 ILE 937 1HD1 ILE 937 -9.640 5.473 -3.408 147 2HD1 ILE 937 2HD1 ILE 937 -10.668 6.790 -2.845 148 3HD1 ILE 937 3HD1 ILE 937 -8.921 6.876 -2.616 149 H GLU 938 H GLU 938 -8.293 7.319 2.459 150 HA GLU 938 HA GLU 938 -9.675 9.525 3.525 151 1HB GLU 938 HB1 GLU 938 -7.064 8.282 4.429 152 2HB GLU 938 HB2 GLU 938 -7.975 9.464 5.360 153 1HG GLU 938 HG1 GLU 938 -9.112 6.817 4.499 154 2HG GLU 938 HG2 GLU 938 -8.303 7.079 6.045 155 H MET 939 H MET 939 -6.478 9.196 2.208 156 HA MET 939 HA MET 939 -5.482 11.773 2.589 157 1HB MET 939 HB1 MET 939 -4.127 9.923 1.686 158 2HB MET 939 HB2 MET 939 -5.014 10.019 0.172 159 1HG MET 939 HG1 MET 939 -4.210 12.415 0.015 160 2HG MET 939 HG2 MET 939 -3.115 12.027 1.341 161 1HE MET 939 HE1 MET 939 -2.976 10.176 -2.876 162 2HE MET 939 HE2 MET 939 -4.324 9.903 -1.771 163 3HE MET 939 HE3 MET 939 -4.013 11.521 -2.399 164 H SER 940 H SER 940 -7.472 10.547 -0.095 165 HA SER 940 HA SER 940 -7.476 13.054 -1.453 166 1HB SER 940 HB1 SER 940 -9.324 11.973 -2.825 167 2HB SER 940 HB2 SER 940 -7.768 11.147 -2.820 168 HG SER 940 HG SER 940 -9.495 10.346 -0.820 169 H SER 941 H SER 941 -9.526 11.660 1.038 170 HA SER 941 HA SER 941 -11.703 13.489 0.453 171 1HB SER 941 HB1 SER 941 -12.595 12.551 2.676 172 2HB SER 941 HB2 SER 941 -12.444 11.416 1.336 173 HG SER 941 HG SER 941 -11.367 11.235 3.737 174 H LYS 942 H LYS 942 -9.169 13.004 2.773 175 HA LYS 942 HA LYS 942 -9.468 15.115 4.499 176 1HB LYS 942 HB1 LYS 942 -7.328 13.377 3.561 177 2HB LYS 942 HB2 LYS 942 -6.743 14.963 4.043 178 1HG LYS 942 HG1 LYS 942 -8.596 13.508 5.854 179 2HG LYS 942 HG2 LYS 942 -6.900 13.014 5.768 180 1HD LYS 942 HD1 LYS 942 -6.130 15.084 6.487 181 2HD LYS 942 HD2 LYS 942 -7.658 15.882 6.093 182 1HE LYS 942 HE1 LYS 942 -7.438 15.668 8.501 183 2HE LYS 942 HE2 LYS 942 -8.748 14.640 7.926 184 1HZ LYS 942 HZ1 LYS 942 -7.257 12.727 8.063 185 2HZ LYS 942 HZ2 LYS 942 -6.008 13.731 8.618 186 3HZ LYS 942 HZ3 LYS 942 -7.395 13.512 9.563 187 H ILE 943 H ILE 943 -7.855 15.103 1.329 188 HA ILE 943 HA ILE 943 -6.977 17.785 1.585 189 HB ILE 943 HB ILE 943 -5.877 16.081 0.114 190 1HG1 ILE 943 1HG1 ILE 943 -6.684 18.623 -1.316 191 2HG1 ILE 943 2HG1 ILE 943 -5.438 18.526 -0.075 192 1HG2 ILE 943 1HG2 ILE 943 -8.189 16.657 -1.728 193 2HG2 ILE 943 2HG2 ILE 943 -6.740 15.743 -2.148 194 3HG2 ILE 943 3HG2 ILE 943 -7.851 15.123 -0.926 195 1HD1 ILE 943 1HD1 ILE 943 -4.470 18.563 -2.303 196 2HD1 ILE 943 2HD1 ILE 943 -4.139 17.030 -1.499 197 3HD1 ILE 943 3HD1 ILE 943 -5.389 17.123 -2.740 198 H GLN 944 H GLN 944 -9.967 16.373 0.543 199 HA GLN 944 HA GLN 944 -10.926 18.365 -1.143 200 1HB GLN 944 HB1 GLN 944 -12.482 16.672 0.814 201 2HB GLN 944 HB2 GLN 944 -13.215 17.679 -0.425 202 1HG GLN 944 HG1 GLN 944 -11.449 15.280 -0.834 203 2HG GLN 944 HG2 GLN 944 -13.163 15.421 -1.202 204 1HE2 GLN 944 2HE2 GLN 944 -9.978 16.071 -2.215 205 2HE2 GLN 944 1HE2 GLN 944 -10.351 16.696 -3.784 206 HA PRO 945 HA PRO 945 -12.435 21.063 2.362 207 1HB PRO 945 HB1 PRO 945 -12.615 20.040 4.936 208 2HB PRO 945 HB2 PRO 945 -13.905 20.040 3.736 209 1HG PRO 945 HG1 PRO 945 -12.529 17.791 4.805 210 2HG PRO 945 HG2 PRO 945 -13.759 17.801 3.533 211 1HD PRO 945 HD1 PRO 945 -10.809 17.666 3.307 212 2HD PRO 945 HD2 PRO 945 -12.060 17.068 2.198 213 H ALA 946 H ALA 946 -9.751 19.097 3.550 214 HA ALA 946 HA ALA 946 -9.002 21.086 5.511 215 1HB ALA 946 HB1 ALA 946 -7.649 18.495 4.790 216 2HB ALA 946 HB2 ALA 946 -7.309 19.499 6.200 217 3HB ALA 946 HB3 ALA 946 -8.875 18.700 6.041 218 HA PRO 947 HA PRO 947 -5.985 23.139 3.047 219 1HB PRO 947 HB1 PRO 947 -4.651 24.441 4.955 220 2HB PRO 947 HB2 PRO 947 -6.367 24.760 4.669 221 1HG PRO 947 HG1 PRO 947 -5.076 23.087 6.785 222 2HG PRO 947 HG2 PRO 947 -6.419 24.235 6.931 223 1HD PRO 947 HD1 PRO 947 -6.711 21.503 6.712 224 2HD PRO 947 HD2 PRO 947 -7.958 22.690 6.282 225 HA PRO 948 HA PRO 948 -1.858 21.466 2.593 226 1HB PRO 948 HB1 PRO 948 -0.256 23.498 3.723 227 2HB PRO 948 HB2 PRO 948 -0.684 23.305 2.024 228 1HG PRO 948 HG1 PRO 948 -1.909 25.039 4.105 229 2HG PRO 948 HG2 PRO 948 -1.712 25.332 2.367 230 1HD PRO 948 HD1 PRO 948 -4.089 24.702 3.378 231 2HD PRO 948 HD2 PRO 948 -3.563 24.030 1.819 232 H GLU 949 H GLU 949 -2.336 23.002 5.721 233 HA GLU 949 HA GLU 949 -0.370 21.754 7.226 234 1HB GLU 949 HB1 GLU 949 -3.177 22.436 8.092 235 2HB GLU 949 HB2 GLU 949 -1.794 22.207 9.154 236 1HG GLU 949 HG1 GLU 949 -0.712 24.158 8.152 237 2HG GLU 949 HG2 GLU 949 -2.110 24.385 7.101 238 H GLU 950 H GLU 950 -3.158 20.468 5.778 239 HA GLU 950 HA GLU 950 -3.014 18.028 7.390 240 1HB GLU 950 HB1 GLU 950 -5.259 19.160 5.737 241 2HB GLU 950 HB2 GLU 950 -5.252 17.508 6.350 242 1HG GLU 950 HG1 GLU 950 -5.084 19.987 8.056 243 2HG GLU 950 HG2 GLU 950 -6.549 19.052 7.759 244 H TYR 951 H TYR 951 -2.032 19.295 4.443 245 HA TYR 951 HA TYR 951 -2.346 17.123 2.695 246 1HB TYR 951 HB1 TYR 951 -0.060 19.078 2.966 247 2HB TYR 951 HB2 TYR 951 -0.111 17.849 1.717 248 HD1 TYR 951 HD1 TYR 951 -3.422 18.721 1.992 249 HD2 TYR 951 HD2 TYR 951 0.287 20.355 0.721 250 HE1 TYR 951 HE1 TYR 951 -4.618 20.302 0.532 251 HE2 TYR 951 HE2 TYR 951 -0.879 21.934 -0.724 252 HH TYR 951 HH TYR 951 -2.930 22.337 -1.757 253 H VAL 952 H VAL 952 0.063 17.828 5.186 254 HA VAL 952 HA VAL 952 1.333 15.288 4.703 255 HB VAL 952 HB VAL 952 2.978 16.594 5.481 256 1HG1 VAL 952 1HG1 VAL 952 1.691 18.575 5.922 257 2HG1 VAL 952 2HG1 VAL 952 1.051 17.883 7.413 258 3HG1 VAL 952 3HG1 VAL 952 2.765 18.280 7.288 259 1HG2 VAL 952 1HG2 VAL 952 2.970 14.657 6.941 260 2HG2 VAL 952 2HG2 VAL 952 3.563 16.076 7.803 261 3HG2 VAL 952 3HG2 VAL 952 1.922 15.495 8.086 262 HA PRO 953 HA PRO 953 -1.092 13.876 8.746 263 1HB PRO 953 HB1 PRO 953 -3.459 15.610 8.284 264 2HB PRO 953 HB2 PRO 953 -2.800 14.980 9.802 265 1HG PRO 953 HG1 PRO 953 -2.380 17.507 9.147 266 2HG PRO 953 HG2 PRO 953 -1.069 16.540 9.855 267 1HD PRO 953 HD1 PRO 953 -1.512 17.338 7.004 268 2HD PRO 953 HD2 PRO 953 0.002 17.254 7.927 269 H MET 954 H MET 954 -2.608 14.900 5.691 270 HA MET 954 HA MET 954 -4.459 12.724 5.724 271 1HB MET 954 HB1 MET 954 -5.085 13.344 3.511 272 2HB MET 954 HB2 MET 954 -4.801 14.832 4.399 273 1HG MET 954 HG1 MET 954 -2.587 15.006 3.354 274 2HG MET 954 HG2 MET 954 -2.928 13.545 2.430 275 1HE MET 954 HE1 MET 954 -3.995 17.249 3.123 276 2HE MET 954 HE2 MET 954 -5.317 17.463 1.975 277 3HE MET 954 HE3 MET 954 -5.502 16.363 3.342 278 H VAL 955 H VAL 955 -1.240 13.241 4.464 279 HA VAL 955 HA VAL 955 -1.103 10.732 3.154 280 HB VAL 955 HB VAL 955 0.479 12.862 2.981 281 1HG1 VAL 955 1HG1 VAL 955 1.382 12.674 5.233 282 2HG1 VAL 955 2HG1 VAL 955 1.986 11.061 4.856 283 3HG1 VAL 955 3HG1 VAL 955 2.639 12.464 4.011 284 1HG2 VAL 955 1HG2 VAL 955 1.349 10.012 2.603 285 2HG2 VAL 955 2HG2 VAL 955 0.396 10.973 1.472 286 3HG2 VAL 955 3HG2 VAL 955 2.066 11.420 1.823 287 H LYS 956 H LYS 956 -0.747 11.836 6.417 288 HA LYS 956 HA LYS 956 0.555 9.604 7.544 289 1HB LYS 956 HB1 LYS 956 0.085 11.615 8.859 290 2HB LYS 956 HB2 LYS 956 -1.642 11.328 8.705 291 1HG LYS 956 HG1 LYS 956 -0.900 10.679 10.901 292 2HG LYS 956 HG2 LYS 956 -1.405 9.254 9.995 293 1HD LYS 956 HD1 LYS 956 0.606 8.720 11.175 294 2HD LYS 956 HD2 LYS 956 0.993 8.831 9.458 295 1HE LYS 956 HE1 LYS 956 1.845 11.098 9.804 296 2HE LYS 956 HE2 LYS 956 1.458 10.984 11.521 297 1HZ LYS 956 HZ1 LYS 956 3.379 9.239 10.077 298 2HZ LYS 956 HZ2 LYS 956 3.799 10.542 11.082 299 3HZ LYS 956 HZ3 LYS 956 3.036 9.179 11.740 300 H GLU 957 H GLU 957 -2.875 10.228 6.865 301 HA GLU 957 HA GLU 957 -4.039 7.911 7.663 302 1HB GLU 957 HB1 GLU 957 -4.691 9.187 4.999 303 2HB GLU 957 HB2 GLU 957 -5.787 8.356 6.092 304 1HG GLU 957 HG1 GLU 957 -4.409 10.839 6.996 305 2HG GLU 957 HG2 GLU 957 -5.789 10.952 5.914 306 H VAL 958 H VAL 958 -2.409 8.459 4.511 307 HA VAL 958 HA VAL 958 -2.812 5.814 3.583 308 HB VAL 958 HB VAL 958 -1.574 6.327 1.727 309 1HG1 VAL 958 1HG1 VAL 958 -3.275 8.054 2.036 310 2HG1 VAL 958 2HG1 VAL 958 -2.087 9.075 2.842 311 3HG1 VAL 958 3HG1 VAL 958 -1.880 8.655 1.143 312 1HG2 VAL 958 1HG2 VAL 958 0.209 8.115 3.377 313 2HG2 VAL 958 2HG2 VAL 958 0.596 6.492 2.806 314 3HG2 VAL 958 3HG2 VAL 958 0.378 7.806 1.649 315 H GLY 959 H GLY 959 -0.393 7.220 5.680 316 1HA GLY 959 HA1 GLY 959 1.538 5.142 5.489 317 2HA GLY 959 HA2 GLY 959 1.391 6.293 6.810 318 H LEU 960 H LEU 960 -1.138 5.725 7.690 319 HA LEU 960 HA LEU 960 -0.825 3.447 9.321 320 1HB LEU 960 HB1 LEU 960 -3.164 5.167 8.609 321 2HB LEU 960 HB2 LEU 960 -3.451 3.655 9.447 322 HG LEU 960 HG LEU 960 -1.974 4.415 11.285 323 1HD1 LEU 960 1HD1 LEU 960 -0.552 5.949 10.048 324 2HD1 LEU 960 2HD1 LEU 960 -1.926 7.019 9.770 325 3HD1 LEU 960 3HD1 LEU 960 -1.321 6.769 11.407 326 1HD2 LEU 960 1HD2 LEU 960 -4.389 4.737 11.412 327 2HD2 LEU 960 2HD2 LEU 960 -3.525 6.048 12.215 328 3HD2 LEU 960 3HD2 LEU 960 -4.226 6.303 10.618 329 H ALA 961 H ALA 961 -2.687 3.908 6.360 330 HA ALA 961 HA ALA 961 -3.670 1.477 5.840 331 1HB ALA 961 HB1 ALA 961 -2.162 3.055 3.779 332 2HB ALA 961 HB2 ALA 961 -3.488 1.924 3.507 333 3HB ALA 961 HB3 ALA 961 -3.785 3.442 4.350 334 H LEU 962 H LEU 962 -0.256 2.251 4.741 335 HA LEU 962 HA LEU 962 0.190 -0.518 4.257 336 1HB LEU 962 HB1 LEU 962 1.512 1.005 3.042 337 2HB LEU 962 HB2 LEU 962 2.063 1.811 4.499 338 HG LEU 962 HG LEU 962 2.809 -1.054 4.163 339 1HD1 LEU 962 1HD1 LEU 962 3.213 -0.178 1.946 340 2HD1 LEU 962 2HD1 LEU 962 4.054 1.218 2.624 341 3HD1 LEU 962 3HD1 LEU 962 4.746 -0.399 2.789 342 1HD2 LEU 962 1HD2 LEU 962 4.276 1.395 5.153 343 2HD2 LEU 962 2HD2 LEU 962 3.469 0.196 6.165 344 3HD2 LEU 962 3HD2 LEU 962 4.877 -0.262 5.208 345 H ARG 963 H ARG 963 0.634 1.472 7.107 346 HA ARG 963 HA ARG 963 2.205 -0.243 8.640 347 1HB ARG 963 HB1 ARG 963 1.599 1.979 9.426 348 2HB ARG 963 HB2 ARG 963 -0.091 1.507 9.542 349 1HG ARG 963 HG1 ARG 963 0.965 1.554 11.727 350 2HG ARG 963 HG2 ARG 963 0.464 -0.084 11.300 351 1HD ARG 963 HD1 ARG 963 2.819 -0.494 10.527 352 2HD ARG 963 HD2 ARG 963 3.248 1.069 11.228 353 HE ARG 963 HE ARG 963 1.904 -0.776 13.017 354 1HH1 ARG 963 2HH1 ARG 963 4.994 0.388 11.823 355 2HH1 ARG 963 1HH1 ARG 963 5.870 -0.132 13.235 356 1HH2 ARG 963 2HH2 ARG 963 3.043 -1.445 14.862 357 2HH2 ARG 963 1HH2 ARG 963 4.764 -1.213 14.953 358 H THR 964 H THR 964 -1.378 -0.123 8.643 359 HA THR 964 HA THR 964 -1.784 -2.536 10.010 360 HB THR 964 HB THR 964 -3.978 -2.588 8.583 361 HG1 THR 964 HG1 THR 964 -3.072 0.080 8.097 362 1HG2 THR 964 1HG2 THR 964 -4.996 -0.906 10.025 363 2HG2 THR 964 2HG2 THR 964 -3.881 -1.931 10.930 364 3HG2 THR 964 3HG2 THR 964 -3.396 -0.302 10.460 365 H LEU 965 H LEU 965 -1.669 -1.899 6.558 366 HA LEU 965 HA LEU 965 -1.826 -4.383 5.491 367 1HB LEU 965 HB1 LEU 965 -1.593 -2.421 4.129 368 2HB LEU 965 HB2 LEU 965 0.046 -2.166 4.693 369 HG LEU 965 HG LEU 965 0.765 -4.208 3.539 370 1HD1 LEU 965 1HD1 LEU 965 -2.090 -4.323 2.578 371 2HD1 LEU 965 2HD1 LEU 965 -0.769 -5.333 1.995 372 3HD1 LEU 965 3HD1 LEU 965 -1.312 -5.470 3.666 373 1HD2 LEU 965 1HD2 LEU 965 0.870 -2.050 2.401 374 2HD2 LEU 965 2HD2 LEU 965 0.526 -3.353 1.264 375 3HD2 LEU 965 3HD2 LEU 965 -0.771 -2.283 1.798 376 H LEU 966 H LEU 966 1.180 -2.991 6.842 377 HA LEU 966 HA LEU 966 2.881 -5.120 6.429 378 1HB LEU 966 HB1 LEU 966 2.722 -3.248 8.783 379 2HB LEU 966 HB2 LEU 966 4.024 -4.401 8.564 380 HG LEU 966 HG LEU 966 3.349 -2.131 6.692 381 1HD1 LEU 966 1HD1 LEU 966 5.666 -2.521 8.580 382 2HD1 LEU 966 2HD1 LEU 966 5.463 -1.181 7.450 383 3HD1 LEU 966 3HD1 LEU 966 4.337 -1.382 8.792 384 1HD2 LEU 966 1HD2 LEU 966 4.238 -4.048 5.480 385 2HD2 LEU 966 2HD2 LEU 966 5.430 -2.751 5.548 386 3HD2 LEU 966 3HD2 LEU 966 5.591 -4.151 6.608 387 H ALA 967 H ALA 967 0.447 -4.801 8.988 388 HA ALA 967 HA ALA 967 1.125 -7.123 10.418 389 1HB ALA 967 HB1 ALA 967 -0.513 -5.496 11.243 390 2HB ALA 967 HB2 ALA 967 -1.634 -5.987 9.974 391 3HB ALA 967 HB3 ALA 967 -1.173 -7.133 11.232 392 H THR 968 H THR 968 -1.078 -6.692 7.656 393 HA THR 968 HA THR 968 -1.626 -9.412 7.238 394 HB THR 968 HB THR 968 -1.843 -6.932 5.633 395 HG1 THR 968 HG1 THR 968 -3.914 -8.588 5.463 396 1HG2 THR 968 1HG2 THR 968 -2.569 -8.145 3.642 397 2HG2 THR 968 2HG2 THR 968 -0.874 -8.476 4.000 398 3HG2 THR 968 3HG2 THR 968 -2.109 -9.671 4.395 399 H VAL 969 H VAL 969 0.988 -7.351 5.891 400 HA VAL 969 HA VAL 969 2.267 -9.219 4.344 401 HB VAL 969 HB VAL 969 3.506 -7.119 6.138 402 1HG1 VAL 969 1HG1 VAL 969 5.165 -8.813 5.537 403 2HG1 VAL 969 2HG1 VAL 969 4.759 -8.608 3.832 404 3HG1 VAL 969 3HG1 VAL 969 5.492 -7.279 4.730 405 1HG2 VAL 969 1HG2 VAL 969 3.621 -5.790 4.082 406 2HG2 VAL 969 2HG2 VAL 969 2.815 -7.089 3.201 407 3HG2 VAL 969 3HG2 VAL 969 1.960 -6.227 4.481 408 H ASP 970 H ASP 970 2.209 -8.964 7.847 409 HA ASP 970 HA ASP 970 4.164 -11.001 8.296 410 1HB ASP 970 HB1 ASP 970 2.214 -9.514 9.986 411 2HB ASP 970 HB2 ASP 970 2.797 -11.056 10.598 412 H GLU 971 H GLU 971 0.768 -11.063 7.604 413 HA GLU 971 HA GLU 971 0.410 -13.820 8.309 414 1HB GLU 971 HB1 GLU 971 -1.119 -12.311 6.186 415 2HB GLU 971 HB2 GLU 971 -1.667 -13.684 7.138 416 1HG GLU 971 HG1 GLU 971 -1.057 -10.966 8.268 417 2HG GLU 971 HG2 GLU 971 -2.664 -11.519 7.799 418 H SER 972 H SER 972 1.160 -12.016 5.369 419 HA SER 972 HA SER 972 1.448 -14.282 3.704 420 1HB SER 972 HB1 SER 972 0.945 -12.147 2.729 421 2HB SER 972 HB2 SER 972 2.405 -11.429 3.427 422 HG SER 972 HG SER 972 3.445 -13.269 2.125 423 H LEU 973 H LEU 973 3.502 -12.728 6.001 424 HA LEU 973 HA LEU 973 6.015 -13.439 5.012 425 1HB LEU 973 HB1 LEU 973 5.683 -11.833 6.835 426 2HB LEU 973 HB2 LEU 973 5.160 -13.128 7.895 427 HG LEU 973 HG LEU 973 7.417 -14.147 7.708 428 1HD1 LEU 973 1HD1 LEU 973 9.239 -12.849 6.754 429 2HD1 LEU 973 2HD1 LEU 973 8.023 -13.214 5.528 430 3HD1 LEU 973 3HD1 LEU 973 8.099 -11.603 6.243 431 1HD2 LEU 973 1HD2 LEU 973 7.343 -11.286 8.660 432 2HD2 LEU 973 2HD2 LEU 973 6.884 -12.711 9.593 433 3HD2 LEU 973 3HD2 LEU 973 8.562 -12.481 9.101 434 HA PRO 974 HA PRO 974 5.759 -17.673 7.347 435 1HB PRO 974 HB1 PRO 974 3.143 -18.557 7.673 436 2HB PRO 974 HB2 PRO 974 4.208 -18.011 8.970 437 1HG PRO 974 HG1 PRO 974 2.033 -16.559 7.564 438 2HG PRO 974 HG2 PRO 974 2.558 -16.445 9.253 439 1HD PRO 974 HD1 PRO 974 3.165 -14.561 7.412 440 2HD PRO 974 HD2 PRO 974 4.245 -14.959 8.761 441 H VAL 975 H VAL 975 3.329 -16.386 5.149 442 HA VAL 975 HA VAL 975 3.318 -18.802 3.524 443 HB VAL 975 HB VAL 975 2.454 -16.114 2.475 444 1HG1 VAL 975 1HG1 VAL 975 1.504 -18.941 2.011 445 2HG1 VAL 975 2HG1 VAL 975 0.866 -17.496 1.229 446 3HG1 VAL 975 3HG1 VAL 975 2.530 -18.000 0.929 447 1HG2 VAL 975 1HG2 VAL 975 0.853 -17.954 4.261 448 2HG2 VAL 975 2HG2 VAL 975 1.420 -16.336 4.675 449 3HG2 VAL 975 3HG2 VAL 975 0.220 -16.550 3.400 450 H LEU 976 H LEU 976 5.498 -16.305 3.983 451 HA LEU 976 HA LEU 976 6.603 -16.113 1.387 452 1HB LEU 976 HB1 LEU 976 7.030 -14.291 2.731 453 2HB LEU 976 HB2 LEU 976 7.494 -15.261 4.111 454 HG LEU 976 HG LEU 976 9.250 -15.164 1.672 455 1HD1 LEU 976 1HD1 LEU 976 8.733 -12.837 2.267 456 2HD1 LEU 976 2HD1 LEU 976 9.230 -13.160 3.928 457 3HD1 LEU 976 3HD1 LEU 976 10.411 -13.251 2.622 458 1HD2 LEU 976 1HD2 LEU 976 9.833 -15.469 4.619 459 2HD2 LEU 976 2HD2 LEU 976 9.790 -16.779 3.439 460 3HD2 LEU 976 3HD2 LEU 976 11.017 -15.519 3.315 461 HA PRO 977 HA PRO 977 9.812 -19.427 2.715 462 1HB PRO 977 HB1 PRO 977 9.244 -20.984 4.870 463 2HB PRO 977 HB2 PRO 977 10.243 -19.529 4.971 464 1HG PRO 977 HG1 PRO 977 7.352 -19.893 5.644 465 2HG PRO 977 HG2 PRO 977 8.601 -18.991 6.522 466 1HD PRO 977 HD1 PRO 977 6.788 -17.781 4.922 467 2HD PRO 977 HD2 PRO 977 8.436 -17.161 5.131 468 H ALA 978 H ALA 978 6.381 -19.754 3.223 469 HA ALA 978 HA ALA 978 6.113 -22.398 2.251 470 1HB ALA 978 HB1 ALA 978 3.769 -21.819 1.866 471 2HB ALA 978 HB2 ALA 978 4.316 -21.268 3.450 472 3HB ALA 978 HB3 ALA 978 4.144 -20.115 2.126 473 H SER 979 H SER 979 5.742 -19.248 0.588 474 HA SER 979 HA SER 979 6.789 -20.263 -1.868 475 1HB SER 979 HB1 SER 979 3.794 -19.974 -1.553 476 2HB SER 979 HB2 SER 979 4.584 -19.880 -3.133 477 HG SER 979 HG SER 979 5.342 -22.045 -1.597 478 H THR 980 H THR 980 5.075 -17.725 -0.151 479 HA THR 980 HA THR 980 4.819 -15.884 -2.253 480 HB THR 980 HB THR 980 4.869 -15.239 0.693 481 HG1 THR 980 HG1 THR 980 2.667 -15.726 0.611 482 1HG2 THR 980 1HG2 THR 980 3.342 -13.427 0.031 483 2HG2 THR 980 2HG2 THR 980 4.913 -13.266 -0.752 484 3HG2 THR 980 3HG2 THR 980 3.535 -13.890 -1.659 485 H HIS 981 H HIS 981 7.633 -16.594 -0.419 486 HA HIS 981 HA HIS 981 8.817 -14.189 0.079 487 1HB HIS 981 HB1 HIS 981 9.801 -16.306 0.774 488 2HB HIS 981 HB2 HIS 981 10.162 -16.721 -0.896 489 HD1 HIS 981 HD1 HIS 981 12.666 -16.830 -0.765 490 HD2 HIS 981 HD2 HIS 981 11.152 -13.289 0.802 491 HE1 HIS 981 HE1 HIS 981 14.663 -15.362 -0.352 492 HE2 HIS 981 HE2 HIS 981 13.710 -13.166 0.443 493 H ARG 982 H ARG 982 8.485 -15.634 -3.090 494 HA ARG 982 HA ARG 982 10.396 -13.905 -4.330 495 1HB ARG 982 HB1 ARG 982 9.739 -15.969 -5.417 496 2HB ARG 982 HB2 ARG 982 8.067 -15.431 -5.504 497 1HG ARG 982 HG1 ARG 982 9.269 -15.276 -7.653 498 2HG ARG 982 HG2 ARG 982 8.634 -13.729 -7.092 499 1HD ARG 982 HD1 ARG 982 10.890 -13.489 -7.989 500 2HD ARG 982 HD2 ARG 982 10.837 -13.105 -6.272 501 HE ARG 982 HE ARG 982 11.556 -15.833 -6.743 502 1HH1 ARG 982 2HH1 ARG 982 12.771 -12.547 -6.624 503 2HH1 ARG 982 1HH1 ARG 982 14.419 -13.032 -6.361 504 1HH2 ARG 982 2HH2 ARG 982 13.734 -16.473 -6.391 505 2HH2 ARG 982 1HH2 ARG 982 14.961 -15.252 -6.219 506 H GLU 983 H GLU 983 6.782 -13.804 -4.486 507 HA GLU 983 HA GLU 983 6.782 -11.227 -5.600 508 1HB GLU 983 HB1 GLU 983 4.892 -13.158 -5.224 509 2HB GLU 983 HB2 GLU 983 4.379 -11.923 -4.088 510 1HG GLU 983 HG1 GLU 983 3.281 -11.182 -5.918 511 2HG GLU 983 HG2 GLU 983 4.822 -10.345 -6.159 512 H ILE 984 H ILE 984 6.379 -12.300 -2.245 513 HA ILE 984 HA ILE 984 5.358 -9.881 -1.270 514 HB ILE 984 HB ILE 984 5.303 -12.003 0.001 515 1HG1 ILE 984 1HG1 ILE 984 6.595 -9.674 1.443 516 2HG1 ILE 984 2HG1 ILE 984 4.875 -9.869 1.129 517 1HG2 ILE 984 1HG2 ILE 984 7.540 -12.815 -0.390 518 2HG2 ILE 984 2HG2 ILE 984 8.229 -11.433 0.465 519 3HG2 ILE 984 3HG2 ILE 984 7.282 -12.633 1.345 520 1HD1 ILE 984 1HD1 ILE 984 5.416 -10.419 3.426 521 2HD1 ILE 984 2HD1 ILE 984 4.841 -11.847 2.564 522 3HD1 ILE 984 3HD1 ILE 984 6.564 -11.642 2.879 523 H GLU 985 H GLU 985 8.625 -10.906 -1.928 524 HA GLU 985 HA GLU 985 9.867 -8.689 -0.645 525 1HB GLU 985 HB1 GLU 985 10.831 -10.679 -2.683 526 2HB GLU 985 HB2 GLU 985 11.837 -9.346 -2.132 527 1HG GLU 985 HG1 GLU 985 10.636 -11.467 -0.370 528 2HG GLU 985 HG2 GLU 985 12.306 -11.423 -0.934 529 H MET 986 H MET 986 8.663 -9.285 -3.947 530 HA MET 986 HA MET 986 9.976 -7.012 -5.000 531 1HB MET 986 HB1 MET 986 8.741 -7.256 -7.010 532 2HB MET 986 HB2 MET 986 9.195 -8.851 -6.441 533 1HG MET 986 HG1 MET 986 6.991 -9.361 -5.804 534 2HG MET 986 HG2 MET 986 6.483 -7.673 -5.919 535 1HE MET 986 HE1 MET 986 7.667 -10.835 -7.959 536 2HE MET 986 HE2 MET 986 7.593 -10.219 -9.611 537 3HE MET 986 HE3 MET 986 8.786 -9.576 -8.482 538 H ALA 987 H ALA 987 6.493 -7.392 -4.278 539 HA ALA 987 HA ALA 987 5.945 -4.677 -4.651 540 1HB ALA 987 HB1 ALA 987 4.261 -6.430 -4.809 541 2HB ALA 987 HB2 ALA 987 4.362 -6.673 -3.065 542 3HB ALA 987 HB3 ALA 987 3.780 -5.138 -3.710 543 H GLN 988 H GLN 988 6.534 -6.512 -1.640 544 HA GLN 988 HA GLN 988 5.790 -4.461 0.100 545 1HB GLN 988 HB1 GLN 988 6.192 -6.764 0.844 546 2HB GLN 988 HB2 GLN 988 7.914 -6.559 0.563 547 1HG GLN 988 HG1 GLN 988 7.768 -4.635 2.240 548 2HG GLN 988 HG2 GLN 988 6.196 -5.308 2.671 549 1HE2 GLN 988 2HE2 GLN 988 7.143 -8.046 2.090 550 2HE2 GLN 988 1HE2 GLN 988 8.144 -8.491 3.432 551 H LYS 989 H LYS 989 8.980 -5.194 -1.256 552 HA LYS 989 HA LYS 989 10.421 -3.133 -0.005 553 1HB LYS 989 HB1 LYS 989 11.521 -4.971 -1.137 554 2HB LYS 989 HB2 LYS 989 10.804 -4.507 -2.670 555 1HG LYS 989 HG1 LYS 989 12.127 -2.457 -2.674 556 2HG LYS 989 HG2 LYS 989 12.845 -2.918 -1.126 557 1HD LYS 989 HD1 LYS 989 13.823 -4.889 -2.114 558 2HD LYS 989 HD2 LYS 989 13.002 -4.573 -3.641 559 1HE LYS 989 HE1 LYS 989 14.293 -2.501 -3.893 560 2HE LYS 989 HE2 LYS 989 15.119 -2.842 -2.371 561 1HZ LYS 989 HZ1 LYS 989 15.204 -4.569 -4.788 562 2HZ LYS 989 HZ2 LYS 989 16.440 -3.514 -4.292 563 3HZ LYS 989 HZ3 LYS 989 16.025 -4.850 -3.333 564 H LEU 990 H LEU 990 8.400 -3.242 -2.830 565 HA LEU 990 HA LEU 990 9.006 -0.624 -3.787 566 1HB LEU 990 HB1 LEU 990 8.223 -1.811 -5.528 567 2HB LEU 990 HB2 LEU 990 7.340 -2.915 -4.502 568 HG LEU 990 HG LEU 990 5.508 -1.242 -4.372 569 1HD1 LEU 990 1HD1 LEU 990 7.111 0.144 -6.531 570 2HD1 LEU 990 2HD1 LEU 990 5.459 0.547 -6.058 571 3HD1 LEU 990 3HD1 LEU 990 6.783 0.776 -4.916 572 1HD2 LEU 990 1HD2 LEU 990 4.658 -1.708 -6.607 573 2HD2 LEU 990 2HD2 LEU 990 6.274 -2.186 -7.127 574 3HD2 LEU 990 3HD2 LEU 990 5.425 -3.129 -5.901 575 H LEU 991 H LEU 991 6.363 -2.033 -1.898 576 HA LEU 991 HA LEU 991 4.765 0.179 -1.412 577 1HB LEU 991 HB1 LEU 991 5.554 -1.845 0.679 578 2HB LEU 991 HB2 LEU 991 4.110 -0.853 0.668 579 HG LEU 991 HG LEU 991 4.616 -2.846 -1.505 580 1HD1 LEU 991 1HD1 LEU 991 4.836 -4.007 0.652 581 2HD1 LEU 991 2HD1 LEU 991 3.287 -3.335 1.165 582 3HD1 LEU 991 3HD1 LEU 991 3.354 -4.471 -0.183 583 1HD2 LEU 991 1HD2 LEU 991 2.107 -1.711 -0.272 584 2HD2 LEU 991 2HD2 LEU 991 2.823 -1.194 -1.798 585 3HD2 LEU 991 3HD2 LEU 991 2.186 -2.829 -1.632 586 H ASN 992 H ASN 992 7.399 -0.987 0.652 587 HA ASN 992 HA ASN 992 7.522 0.933 2.555 588 1HB ASN 992 HB1 ASN 992 8.981 -1.028 2.540 589 2HB ASN 992 HB2 ASN 992 9.875 -0.376 1.171 590 1HD2 ASN 992 2HD2 ASN 992 11.836 -0.224 2.117 591 2HD2 ASN 992 1HD2 ASN 992 12.187 0.834 3.444 592 H SER 993 H SER 993 9.088 1.107 -0.627 593 HA SER 993 HA SER 993 10.263 3.639 -0.088 594 1HB SER 993 HB1 SER 993 10.642 3.552 -2.648 595 2HB SER 993 HB2 SER 993 11.456 2.365 -1.631 596 HG SER 993 HG SER 993 8.994 1.936 -3.005 597 H ASP 994 H ASP 994 7.401 2.612 -1.998 598 HA ASP 994 HA ASP 994 7.085 5.317 -2.926 599 1HB ASP 994 HB1 ASP 994 5.540 2.796 -3.465 600 2HB ASP 994 HB2 ASP 994 5.057 4.364 -4.110 601 H LEU 995 H LEU 995 5.188 3.233 -0.677 602 HA LEU 995 HA LEU 995 3.240 5.100 -0.017 603 1HB LEU 995 HB1 LEU 995 3.271 2.823 0.928 604 2HB LEU 995 HB2 LEU 995 4.681 3.242 1.884 605 HG LEU 995 HG LEU 995 2.772 5.170 2.549 606 1HD1 LEU 995 1HD1 LEU 995 1.514 2.459 2.420 607 2HD1 LEU 995 2HD1 LEU 995 0.836 3.886 3.204 608 3HD1 LEU 995 3HD1 LEU 995 1.073 3.868 1.455 609 1HD2 LEU 995 1HD2 LEU 995 2.772 4.046 4.723 610 2HD2 LEU 995 2HD2 LEU 995 3.579 2.660 3.996 611 3HD2 LEU 995 3HD2 LEU 995 4.399 4.218 4.069 612 H ALA 996 H ALA 996 6.264 4.576 1.819 613 HA ALA 996 HA ALA 996 6.263 6.956 3.205 614 1HB ALA 996 HB1 ALA 996 8.668 6.686 3.498 615 2HB ALA 996 HB2 ALA 996 7.828 5.146 3.685 616 3HB ALA 996 HB3 ALA 996 8.698 5.501 2.193 617 H GLU 997 H GLU 997 6.949 6.476 -0.125 618 HA GLU 997 HA GLU 997 8.342 8.960 -0.449 619 1HB GLU 997 HB1 GLU 997 8.300 7.050 -2.183 620 2HB GLU 997 HB2 GLU 997 6.763 7.749 -2.694 621 1HG GLU 997 HG1 GLU 997 7.977 9.951 -2.875 622 2HG GLU 997 HG2 GLU 997 9.470 9.039 -2.691 623 H LEU 998 H LEU 998 4.990 7.912 -0.735 624 HA LEU 998 HA LEU 998 3.937 10.364 -1.659 625 1HB LEU 998 HB1 LEU 998 2.895 7.896 -1.167 626 2HB LEU 998 HB2 LEU 998 2.267 8.786 0.206 627 HG LEU 998 HG LEU 998 1.747 9.279 -2.719 628 1HD1 LEU 998 1HD1 LEU 998 -0.077 8.757 -0.382 629 2HD1 LEU 998 2HD1 LEU 998 -0.575 9.009 -2.055 630 3HD1 LEU 998 3HD1 LEU 998 0.379 7.590 -1.623 631 1HD2 LEU 998 1HD2 LEU 998 1.046 11.071 -0.401 632 2HD2 LEU 998 2HD2 LEU 998 2.139 11.450 -1.733 633 3HD2 LEU 998 3HD2 LEU 998 0.416 11.229 -2.040 634 H ILE 999 H ILE 999 4.359 9.005 1.563 635 HA ILE 999 HA ILE 999 3.240 11.039 3.099 636 HB ILE 999 HB ILE 999 5.596 9.266 3.786 637 1HG1 ILE 999 1HG1 ILE 999 2.647 8.939 4.387 638 2HG1 ILE 999 2HG1 ILE 999 3.529 8.057 3.146 639 1HG2 ILE 999 1HG2 ILE 999 3.784 10.857 5.602 640 2HG2 ILE 999 2HG2 ILE 999 5.003 9.699 6.132 641 3HG2 ILE 999 3HG2 ILE 999 5.491 11.170 5.290 642 1HD1 ILE 999 1HD1 ILE 999 4.935 7.051 4.884 643 2HD1 ILE 999 2HD1 ILE 999 4.002 7.906 6.113 644 3HD1 ILE 999 3HD1 ILE 999 3.224 6.685 5.106 645 H ASN1000 H ASN1000 6.666 10.478 2.811 646 HA ASN1000 HA ASN1000 7.629 12.939 3.571 647 1HB ASN1000 HB1 ASN1000 9.537 11.817 3.300 648 2HB ASN1000 HB2 ASN1000 8.618 10.530 2.536 649 1HD2 ASN1000 2HD2 ASN1000 8.269 10.735 0.191 650 2HD2 ASN1000 1HD2 ASN1000 9.569 11.377 -0.752 651 H LYS1001 H LYS1001 6.002 12.293 0.569 652 HA LYS1001 HA LYS1001 7.317 14.491 -0.799 653 1HB LYS1001 HB1 LYS1001 5.283 12.456 -1.600 654 2HB LYS1001 HB2 LYS1001 5.390 13.952 -2.514 655 1HG LYS1001 HG1 LYS1001 7.727 12.118 -2.032 656 2HG LYS1001 HG2 LYS1001 6.691 12.047 -3.458 657 1HD LYS1001 HD1 LYS1001 7.288 14.364 -3.993 658 2HD LYS1001 HD2 LYS1001 8.332 14.417 -2.571 659 1HE LYS1001 HE1 LYS1001 9.660 14.018 -4.553 660 2HE LYS1001 HE2 LYS1001 9.682 12.591 -3.520 661 1HZ LYS1001 HZ1 LYS1001 9.371 12.219 -5.983 662 2HZ LYS1001 HZ2 LYS1001 8.253 11.441 -4.972 663 3HZ LYS1001 HZ3 LYS1001 7.814 12.851 -5.804 664 H MET1002 H MET1002 4.221 13.810 0.758 665 HA MET1002 HA MET1002 3.128 16.378 -0.005 666 1HB MET1002 HB1 MET1002 2.138 14.434 2.094 667 2HB MET1002 HB2 MET1002 1.227 15.758 1.374 668 1HG MET1002 HG1 MET1002 1.536 14.592 -0.842 669 2HG MET1002 HG2 MET1002 2.141 13.210 0.073 670 1HE MET1002 HE1 MET1002 -0.776 15.757 0.914 671 2HE MET1002 HE2 MET1002 -0.900 15.452 -0.818 672 3HE MET1002 HE3 MET1002 -2.156 14.865 0.274 673 H LYS1003 H LYS1003 4.610 14.788 2.680 674 HA LYS1003 HA LYS1003 4.713 16.919 4.506 675 1HB LYS1003 HB1 LYS1003 5.291 14.442 4.834 676 2HB LYS1003 HB2 LYS1003 6.831 14.804 4.076 677 1HG LYS1003 HG1 LYS1003 7.429 16.282 5.845 678 2HG LYS1003 HG2 LYS1003 5.820 16.153 6.561 679 1HD LYS1003 HD1 LYS1003 6.267 13.661 6.754 680 2HD LYS1003 HD2 LYS1003 7.944 14.032 6.358 681 1HE LYS1003 HE1 LYS1003 6.406 15.159 8.694 682 2HE LYS1003 HE2 LYS1003 7.570 13.840 8.780 683 1HZ LYS1003 HZ1 LYS1003 8.623 15.861 9.439 684 2HZ LYS1003 HZ2 LYS1003 9.266 15.398 7.937 685 3HZ LYS1003 HZ3 LYS1003 8.129 16.655 8.024 686 H LEU1004 H LEU1004 6.861 15.848 1.937 687 HA LEU1004 HA LEU1004 8.780 17.860 1.975 688 1HB LEU1004 HB1 LEU1004 8.651 15.727 0.558 689 2HB LEU1004 HB2 LEU1004 7.722 16.686 -0.574 690 HG LEU1004 HG LEU1004 9.630 18.228 -0.831 691 1HD1 LEU1004 1HD1 LEU1004 11.809 17.620 0.086 692 2HD1 LEU1004 2HD1 LEU1004 10.637 17.942 1.365 693 3HD1 LEU1004 3HD1 LEU1004 11.069 16.280 0.963 694 1HD2 LEU1004 1HD2 LEU1004 9.369 16.348 -2.365 695 2HD2 LEU1004 2HD2 LEU1004 11.072 16.708 -2.085 696 3HD2 LEU1004 3HD2 LEU1004 10.320 15.327 -1.286 697 H ALA1005 H ALA1005 5.728 17.815 0.116 698 HA ALA1005 HA ALA1005 5.998 20.339 -1.067 699 1HB ALA1005 HB1 ALA1005 4.271 18.714 -1.711 700 2HB ALA1005 HB2 ALA1005 3.454 18.988 -0.173 701 3HB ALA1005 HB3 ALA1005 3.578 20.295 -1.349 702 H GLN1006 H GLN1006 4.559 19.372 1.971 703 HA GLN1006 HA GLN1006 4.036 22.054 2.795 704 1HB GLN1006 HB1 GLN1006 3.836 19.375 4.171 705 2HB GLN1006 HB2 GLN1006 3.401 20.900 4.961 706 1HG GLN1006 HG1 GLN1006 2.213 19.727 2.471 707 2HG GLN1006 HG2 GLN1006 1.433 19.943 4.046 708 1HE2 GLN1006 2HE2 GLN1006 2.356 22.481 4.693 709 2HE2 GLN1006 1HE2 GLN1006 1.674 23.626 3.591 710 H GLN1007 H GLN1007 6.790 20.248 2.602 711 HA GLN1007 HA GLN1007 8.173 21.511 4.806 712 1HB GLN1007 HB1 GLN1007 8.455 19.087 3.633 713 2HB GLN1007 HB2 GLN1007 9.623 20.011 2.702 714 1HG GLN1007 HG1 GLN1007 10.684 18.878 4.549 715 2HG GLN1007 HG2 GLN1007 10.776 20.631 4.774 716 1HE2 GLN1007 2HE2 GLN1007 7.860 18.784 5.258 717 2HE2 GLN1007 1HE2 GLN1007 7.793 18.955 6.984 718 H TYR1008 H TYR1008 7.503 21.930 1.508 719 HA TYR1008 HA TYR1008 9.520 24.060 1.239 720 1HB TYR1008 HB1 TYR1008 10.030 22.094 -0.136 721 2HB TYR1008 HB2 TYR1008 8.430 22.157 -0.849 722 HD1 TYR1008 HD1 TYR1008 8.265 23.022 -2.953 723 HD2 TYR1008 HD2 TYR1008 11.415 24.398 -0.443 724 HE1 TYR1008 HE1 TYR1008 9.160 24.349 -4.817 725 HE2 TYR1008 HE2 TYR1008 12.315 25.738 -2.302 726 HH TYR1008 HH TYR1008 10.570 26.165 -5.282 727 H VAL1009 H VAL1009 6.598 23.856 2.085 728 HA VAL1009 HA VAL1009 4.998 25.173 0.218 729 HB VAL1009 HB VAL1009 3.992 24.099 2.120 730 1HG1 VAL1009 1HG1 VAL1009 5.355 26.147 3.854 731 2HG1 VAL1009 2HG1 VAL1009 4.194 24.935 4.395 732 3HG1 VAL1009 3HG1 VAL1009 5.758 24.432 3.754 733 1HG2 VAL1009 1HG2 VAL1009 2.766 25.973 1.153 734 2HG2 VAL1009 2HG2 VAL1009 2.452 25.831 2.883 735 3HG2 VAL1009 3HG2 VAL1009 3.548 27.075 2.284 736 H MET1010 H MET1010 6.154 26.770 -0.772 737 HA MET1010 HA MET1010 6.725 29.146 0.867 738 1HB MET1010 HB1 MET1010 8.723 27.907 -0.110 739 2HB MET1010 HB2 MET1010 8.143 28.408 -1.691 740 1HG MET1010 HG1 MET1010 9.889 29.881 -0.910 741 2HG MET1010 HG2 MET1010 8.358 30.746 -1.033 742 1HE MET1010 HE1 MET1010 11.036 31.652 0.606 743 2HE MET1010 HE2 MET1010 9.604 32.665 0.423 744 3HE MET1010 HE3 MET1010 10.277 32.375 2.027 745 H THR1011 H THR1011 4.365 29.369 0.324 746 HA THR1011 HA THR1011 2.724 30.555 -0.662 747 HB THR1011 HB THR1011 4.878 31.959 -2.240 748 HG1 THR1011 HG1 THR1011 4.252 31.990 0.487 749 1HG2 THR1011 1HG2 THR1011 3.345 33.857 -2.140 750 2HG2 THR1011 2HG2 THR1011 2.555 32.467 -2.884 751 3HG2 THR1011 3HG2 THR1011 2.194 32.898 -1.213 752 H SER1012 H SER1012 4.725 30.824 -3.574 753 HA SER1012 HA SER1012 2.657 29.268 -4.970 754 1HB SER1012 HB1 SER1012 2.998 31.664 -5.648 755 2HB SER1012 HB2 SER1012 4.616 31.223 -6.191 756 HG SER1012 HG SER1012 2.252 29.949 -7.118 757 H LEU1013 H LEU1013 5.814 29.041 -3.881 758 HA LEU1013 HA LEU1013 6.818 27.389 -6.038 759 1HB LEU1013 HB1 LEU1013 7.920 27.838 -3.260 760 2HB LEU1013 HB2 LEU1013 8.759 27.041 -4.576 761 HG LEU1013 HG LEU1013 7.940 29.947 -4.526 762 1HD1 LEU1013 1HD1 LEU1013 10.658 28.664 -4.284 763 2HD1 LEU1013 2HD1 LEU1013 10.327 30.395 -4.342 764 3HD1 LEU1013 3HD1 LEU1013 9.760 29.435 -2.976 765 1HD2 LEU1013 1HD2 LEU1013 7.905 29.045 -6.782 766 2HD2 LEU1013 2HD2 LEU1013 9.286 30.122 -6.571 767 3HD2 LEU1013 3HD2 LEU1013 9.520 28.375 -6.557 768 H GLN1014 H GLN1014 4.679 26.968 -3.571 769 HA GLN1014 HA GLN1014 5.430 24.471 -2.467 770 1HB GLN1014 HB1 GLN1014 3.859 26.209 -1.478 771 2HB GLN1014 HB2 GLN1014 2.647 25.636 -2.611 772 1HG GLN1014 HG1 GLN1014 3.945 23.659 -0.820 773 2HG GLN1014 HG2 GLN1014 2.758 24.765 -0.136 774 1HE2 GLN1014 2HE2 GLN1014 3.294 22.120 -2.298 775 2HE2 GLN1014 1HE2 GLN1014 1.630 21.739 -2.561 776 H GLN1015 H GLN1015 3.162 25.406 -5.022 777 HA GLN1015 HA GLN1015 1.933 23.003 -5.492 778 1HB GLN1015 HB1 GLN1015 1.303 25.172 -6.503 779 2HB GLN1015 HB2 GLN1015 2.668 25.021 -7.594 780 1HG GLN1015 HG1 GLN1015 1.703 22.984 -8.531 781 2HG GLN1015 HG2 GLN1015 0.333 23.137 -7.435 782 1HE2 GLN1015 2HE2 GLN1015 1.872 25.852 -9.045 783 2HE2 GLN1015 1HE2 GLN1015 0.538 26.223 -10.081 784 H GLU1016 H GLU1016 5.059 24.047 -6.860 785 HA GLU1016 HA GLU1016 5.559 22.010 -8.616 786 1HB GLU1016 HB1 GLU1016 7.105 23.832 -8.287 787 2HB GLU1016 HB2 GLU1016 7.445 23.305 -6.646 788 1HG GLU1016 HG1 GLU1016 8.661 21.440 -7.380 789 2HG GLU1016 HG2 GLU1016 8.042 21.582 -9.024 790 H TYR1017 H TYR1017 6.552 21.940 -5.243 791 HA TYR1017 HA TYR1017 7.125 19.181 -5.165 792 1HB TYR1017 HB1 TYR1017 6.626 21.204 -3.024 793 2HB TYR1017 HB2 TYR1017 6.662 19.492 -2.606 794 HD1 TYR1017 HD1 TYR1017 8.744 20.713 -5.341 795 HD2 TYR1017 HD2 TYR1017 8.627 19.834 -1.172 796 HE1 TYR1017 HE1 TYR1017 11.202 20.756 -5.268 797 HE2 TYR1017 HE2 TYR1017 11.083 19.872 -1.102 798 HH TYR1017 HH TYR1017 12.994 21.132 -3.575 799 H LYS1018 H LYS1018 4.123 20.915 -4.406 800 HA LYS1018 HA LYS1018 2.491 18.816 -3.722 801 1HB LYS1018 HB1 LYS1018 1.745 21.132 -3.750 802 2HB LYS1018 HB2 LYS1018 1.838 21.169 -5.503 803 1HG LYS1018 HG1 LYS1018 0.075 19.428 -5.583 804 2HG LYS1018 HG2 LYS1018 -0.061 19.551 -3.827 805 1HD LYS1018 HD1 LYS1018 -0.647 21.914 -4.034 806 2HD LYS1018 HD2 LYS1018 -0.509 21.800 -5.791 807 1HE LYS1018 HE1 LYS1018 -2.299 20.099 -5.781 808 2HE LYS1018 HE2 LYS1018 -2.459 20.309 -4.038 809 1HZ LYS1018 HZ1 LYS1018 -3.026 22.643 -4.434 810 2HZ LYS1018 HZ2 LYS1018 -2.952 22.380 -6.108 811 3HZ LYS1018 HZ3 LYS1018 -4.126 21.587 -5.179 812 H LYS1019 H LYS1019 3.507 19.749 -6.994 813 HA LYS1019 HA LYS1019 1.893 17.829 -8.326 814 1HB LYS1019 HB1 LYS1019 3.008 19.867 -9.349 815 2HB LYS1019 HB2 LYS1019 4.513 18.961 -9.312 816 1HG LYS1019 HG1 LYS1019 3.504 18.865 -11.508 817 2HG LYS1019 HG2 LYS1019 3.526 17.265 -10.767 818 1HD LYS1019 HD1 LYS1019 1.192 17.442 -10.196 819 2HD LYS1019 HD2 LYS1019 1.144 19.114 -10.757 820 1HE LYS1019 HE1 LYS1019 0.162 17.598 -12.402 821 2HE LYS1019 HE2 LYS1019 1.611 18.380 -13.031 822 1HZ LYS1019 HZ1 LYS1019 1.483 15.989 -13.543 823 2HZ LYS1019 HZ2 LYS1019 2.867 16.389 -12.646 824 3HZ LYS1019 HZ3 LYS1019 1.546 15.638 -11.885 825 H GLN1020 H GLN1020 5.276 17.867 -7.314 826 HA GLN1020 HA GLN1020 5.996 15.276 -7.996 827 1HB GLN1020 HB1 GLN1020 6.868 16.937 -5.636 828 2HB GLN1020 HB2 GLN1020 7.641 15.431 -6.113 829 1HG GLN1020 HG1 GLN1020 8.192 16.414 -8.287 830 2HG GLN1020 HG2 GLN1020 7.440 17.928 -7.783 831 1HE2 GLN1020 2HE2 GLN1020 9.377 19.046 -8.050 832 2HE2 GLN1020 1HE2 GLN1020 10.691 18.893 -6.931 833 H MET1021 H MET1021 4.113 16.374 -5.216 834 HA MET1021 HA MET1021 4.197 13.827 -3.902 835 1HB MET1021 HB1 MET1021 2.965 14.773 -2.215 836 2HB MET1021 HB2 MET1021 3.654 16.223 -2.924 837 1HG MET1021 HG1 MET1021 1.559 16.511 -4.219 838 2HG MET1021 HG2 MET1021 0.883 15.140 -3.340 839 1HE MET1021 HE1 MET1021 -0.584 17.914 -3.421 840 2HE MET1021 HE2 MET1021 -1.176 16.541 -2.488 841 3HE MET1021 HE3 MET1021 -1.032 18.128 -1.729 842 H LEU1022 H LEU1022 2.213 15.292 -6.353 843 HA LEU1022 HA LEU1022 0.081 13.405 -6.213 844 1HB LEU1022 HB1 LEU1022 1.022 15.131 -8.505 845 2HB LEU1022 HB2 LEU1022 -0.466 14.206 -8.496 846 HG LEU1022 HG LEU1022 0.189 16.497 -6.638 847 1HD1 LEU1022 1HD1 LEU1022 -1.721 16.299 -8.964 848 2HD1 LEU1022 2HD1 LEU1022 -1.588 17.669 -7.862 849 3HD1 LEU1022 3HD1 LEU1022 -0.235 17.246 -8.911 850 1HD2 LEU1022 1HD2 LEU1022 -2.330 14.862 -6.931 851 2HD2 LEU1022 2HD2 LEU1022 -1.220 14.819 -5.561 852 3HD2 LEU1022 3HD2 LEU1022 -2.138 16.285 -5.907 853 H THR1023 H THR1023 3.098 13.616 -8.052 854 HA THR1023 HA THR1023 2.882 11.221 -9.483 855 HB THR1023 HB THR1023 5.356 12.509 -8.300 856 HG1 THR1023 HG1 THR1023 3.800 12.966 -10.566 857 1HG2 THR1023 1HG2 THR1023 6.613 11.238 -9.960 858 2HG2 THR1023 2HG2 THR1023 5.742 10.150 -8.878 859 3HG2 THR1023 3HG2 THR1023 5.129 10.455 -10.504 860 H ALA1024 H ALA1024 4.025 11.880 -6.220 861 HA ALA1024 HA ALA1024 4.722 9.241 -5.526 862 1HB ALA1024 HB1 ALA1024 4.680 9.994 -3.234 863 2HB ALA1024 HB2 ALA1024 5.422 11.225 -4.257 864 3HB ALA1024 HB3 ALA1024 3.764 11.428 -3.694 865 H ALA1025 H ALA1025 1.664 11.012 -5.269 866 HA ALA1025 HA ALA1025 0.198 9.039 -3.907 867 1HB ALA1025 HB1 ALA1025 -0.589 11.347 -4.209 868 2HB ALA1025 HB2 ALA1025 -0.829 11.034 -5.927 869 3HB ALA1025 HB3 ALA1025 -1.793 10.168 -4.731 870 H HIS1026 H HIS1026 0.815 9.559 -7.334 871 HA HIS1026 HA HIS1026 -0.706 7.355 -8.283 872 1HB HIS1026 HB1 HIS1026 0.151 9.315 -9.649 873 2HB HIS1026 HB2 HIS1026 1.747 8.585 -9.572 874 HD1 HIS1026 HD1 HIS1026 0.166 9.123 -12.235 875 HD2 HIS1026 HD2 HIS1026 0.376 5.468 -10.257 876 HE1 HIS1026 HE1 HIS1026 -0.298 7.378 -13.981 877 HE2 HIS1026 HE2 HIS1026 0.066 5.179 -12.811 878 H ALA1027 H ALA1027 2.606 7.788 -7.217 879 HA ALA1027 HA ALA1027 3.645 5.310 -8.036 880 1HB ALA1027 HB1 ALA1027 5.493 5.795 -6.540 881 2HB ALA1027 HB2 ALA1027 5.031 7.237 -7.444 882 3HB ALA1027 HB3 ALA1027 4.548 7.061 -5.756 883 H LEU1028 H LEU1028 2.501 6.358 -4.832 884 HA LEU1028 HA LEU1028 2.779 3.860 -3.588 885 1HB LEU1028 HB1 LEU1028 2.520 5.516 -2.052 886 2HB LEU1028 HB2 LEU1028 1.319 6.367 -2.984 887 HG LEU1028 HG LEU1028 0.569 3.758 -1.709 888 1HD1 LEU1028 1HD1 LEU1028 1.709 5.016 0.050 889 2HD1 LEU1028 2HD1 LEU1028 0.689 6.413 -0.288 890 3HD1 LEU1028 3HD1 LEU1028 -0.028 4.931 0.342 891 1HD2 LEU1028 1HD2 LEU1028 -1.019 4.894 -3.198 892 2HD2 LEU1028 2HD2 LEU1028 -1.608 4.840 -1.536 893 3HD2 LEU1028 3HD2 LEU1028 -0.932 6.335 -2.184 894 H ALA1029 H ALA1029 -0.144 5.298 -5.080 895 HA ALA1029 HA ALA1029 -1.811 3.179 -4.907 896 1HB ALA1029 HB1 ALA1029 -1.466 4.900 -7.360 897 2HB ALA1029 HB2 ALA1029 -2.887 3.929 -6.968 898 3HB ALA1029 HB3 ALA1029 -2.438 5.295 -5.945 899 H VAL1030 H VAL1030 1.019 3.373 -6.979 900 HA VAL1030 HA VAL1030 0.422 1.006 -8.465 901 HB VAL1030 HB VAL1030 3.071 2.384 -7.996 902 1HG1 VAL1030 1HG1 VAL1030 2.382 0.172 -9.929 903 2HG1 VAL1030 2HG1 VAL1030 3.908 1.054 -9.881 904 3HG1 VAL1030 3HG1 VAL1030 3.435 0.035 -8.521 905 1HG2 VAL1030 1HG2 VAL1030 2.778 3.182 -10.300 906 2HG2 VAL1030 2HG2 VAL1030 1.193 2.410 -10.356 907 3HG2 VAL1030 3HG2 VAL1030 1.486 3.744 -9.240 908 H ASP1031 H ASP1031 2.468 1.659 -5.602 909 HA ASP1031 HA ASP1031 3.218 -1.045 -5.289 910 1HB ASP1031 HB1 ASP1031 4.040 -0.513 -3.101 911 2HB ASP1031 HB2 ASP1031 4.421 0.813 -4.173 912 H ALA1032 H ALA1032 0.666 0.767 -3.533 913 HA ALA1032 HA ALA1032 -0.690 -1.256 -2.355 914 1HB ALA1032 HB1 ALA1032 -1.328 1.091 -2.216 915 2HB ALA1032 HB2 ALA1032 -1.920 1.037 -3.877 916 3HB ALA1032 HB3 ALA1032 -2.716 0.083 -2.626 917 H LYS1033 H LYS1033 -0.446 -0.742 -5.776 918 HA LYS1033 HA LYS1033 -2.795 -2.374 -6.346 919 1HB LYS1033 HB1 LYS1033 -2.201 -0.392 -7.784 920 2HB LYS1033 HB2 LYS1033 -0.787 -1.284 -8.330 921 1HG LYS1033 HG1 LYS1033 -2.326 -3.077 -9.132 922 2HG LYS1033 HG2 LYS1033 -3.674 -2.008 -8.745 923 1HD LYS1033 HD1 LYS1033 -3.168 -1.817 -11.089 924 2HD LYS1033 HD2 LYS1033 -2.715 -0.314 -10.281 925 1HE LYS1033 HE1 LYS1033 -0.402 -0.923 -10.305 926 2HE LYS1033 HE2 LYS1033 -0.780 -2.544 -10.885 927 1HZ LYS1033 HZ1 LYS1033 -1.550 -1.608 -12.956 928 2HZ LYS1033 HZ2 LYS1033 -1.258 -0.032 -12.402 929 3HZ LYS1033 HZ3 LYS1033 0.038 -1.102 -12.652 930 H ASN1034 H ASN1034 0.703 -2.460 -6.807 931 HA ASN1034 HA ASN1034 0.800 -4.966 -8.061 932 1HB ASN1034 HB1 ASN1034 2.634 -3.094 -7.725 933 2HB ASN1034 HB2 ASN1034 3.058 -4.066 -6.317 934 1HD2 ASN1034 2HD2 ASN1034 3.815 -6.197 -6.644 935 2HD2 ASN1034 1HD2 ASN1034 4.427 -6.716 -8.174 936 H LEU1035 H LEU1035 1.173 -4.062 -4.624 937 HA LEU1035 HA LEU1035 1.699 -6.733 -3.791 938 1HB LEU1035 HB1 LEU1035 2.396 -4.857 -2.411 939 2HB LEU1035 HB2 LEU1035 0.711 -4.399 -2.149 940 HG LEU1035 HG LEU1035 0.499 -6.829 -1.192 941 1HD1 LEU1035 1HD1 LEU1035 2.547 -7.590 -0.088 942 2HD1 LEU1035 2HD1 LEU1035 2.690 -7.599 -1.846 943 3HD1 LEU1035 3HD1 LEU1035 3.450 -6.314 -0.907 944 1HD2 LEU1035 1HD2 LEU1035 0.166 -4.796 0.092 945 2HD2 LEU1035 2HD2 LEU1035 1.045 -6.006 1.028 946 3HD2 LEU1035 3HD2 LEU1035 1.908 -4.642 0.315 947 H LEU1036 H LEU1036 -1.309 -4.915 -4.130 948 HA LEU1036 HA LEU1036 -3.007 -6.644 -2.766 949 1HB LEU1036 HB1 LEU1036 -4.396 -4.990 -3.242 950 2HB LEU1036 HB2 LEU1036 -3.277 -4.321 -4.404 951 HG LEU1036 HG LEU1036 -5.473 -4.496 -5.354 952 1HD1 LEU1036 1HD1 LEU1036 -5.111 -5.833 -7.349 953 2HD1 LEU1036 2HD1 LEU1036 -3.691 -4.875 -6.928 954 3HD1 LEU1036 3HD1 LEU1036 -3.723 -6.604 -6.581 955 1HD2 LEU1036 1HD2 LEU1036 -6.410 -6.204 -3.956 956 2HD2 LEU1036 2HD2 LEU1036 -6.633 -6.619 -5.656 957 3HD2 LEU1036 3HD2 LEU1036 -5.382 -7.425 -4.707 958 H ASP1037 H ASP1037 -1.441 -6.899 -5.749 959 HA ASP1037 HA ASP1037 -2.961 -9.251 -6.581 960 1HB ASP1037 HB1 ASP1037 -2.266 -7.458 -8.228 961 2HB ASP1037 HB2 ASP1037 -0.598 -7.935 -7.944 962 H VAL1038 H VAL1038 0.135 -8.208 -5.367 963 HA VAL1038 HA VAL1038 1.612 -10.581 -5.578 964 HB VAL1038 HB VAL1038 1.823 -8.191 -3.791 965 1HG1 VAL1038 1HG1 VAL1038 4.003 -9.008 -3.022 966 2HG1 VAL1038 2HG1 VAL1038 2.677 -10.029 -2.470 967 3HG1 VAL1038 3HG1 VAL1038 3.689 -10.552 -3.815 968 1HG2 VAL1038 1HG2 VAL1038 3.841 -7.779 -5.129 969 2HG2 VAL1038 2HG2 VAL1038 3.510 -9.245 -6.051 970 3HG2 VAL1038 3HG2 VAL1038 2.391 -7.884 -6.126 971 H ILE1039 H ILE1039 -0.115 -9.298 -2.722 972 HA ILE1039 HA ILE1039 0.372 -11.757 -1.297 973 HB ILE1039 HB ILE1039 -1.033 -10.707 0.516 974 1HG1 ILE1039 1HG1 ILE1039 -0.828 -8.352 -1.361 975 2HG1 ILE1039 2HG1 ILE1039 -2.290 -9.060 -0.679 976 1HG2 ILE1039 1HG2 ILE1039 1.395 -10.785 0.533 977 2HG2 ILE1039 2HG2 ILE1039 1.464 -9.292 -0.403 978 3HG2 ILE1039 3HG2 ILE1039 0.810 -9.277 1.235 979 1HD1 ILE1039 1HD1 ILE1039 -0.154 -7.589 0.845 980 2HD1 ILE1039 2HD1 ILE1039 -1.751 -6.976 0.418 981 3HD1 ILE1039 3HD1 ILE1039 -1.596 -8.323 1.546 982 H ASP1040 H ASP1040 -2.659 -10.222 -2.704 983 HA ASP1040 HA ASP1040 -4.159 -12.471 -2.556 984 1HB ASP1040 HB1 ASP1040 -4.906 -10.547 -3.856 985 2HB ASP1040 HB2 ASP1040 -3.712 -10.903 -5.102 986 H GLN1041 H GLN1041 -1.169 -12.191 -4.399 987 HA GLN1041 HA GLN1041 -1.531 -14.919 -5.299 988 1HB GLN1041 HB1 GLN1041 0.864 -13.089 -5.507 989 2HB GLN1041 HB2 GLN1041 0.896 -14.773 -6.009 990 1HG GLN1041 HG1 GLN1041 -0.888 -14.309 -7.632 991 2HG GLN1041 HG2 GLN1041 -0.875 -12.615 -7.139 992 1HE2 GLN1041 2HE2 GLN1041 0.746 -15.098 -8.906 993 2HE2 GLN1041 1HE2 GLN1041 1.918 -14.082 -9.669 994 H ALA1042 H ALA1042 -0.065 -13.211 -2.642 995 HA ALA1042 HA ALA1042 1.512 -15.191 -1.572 996 1HB ALA1042 HB1 ALA1042 -0.244 -13.301 -0.026 997 2HB ALA1042 HB2 ALA1042 1.145 -14.187 0.605 998 3HB ALA1042 HB3 ALA1042 1.377 -12.947 -0.627 999 H ARG1043 H ARG1043 -1.955 -14.619 -0.839 1000 HA ARG1043 HA ARG1043 -2.224 -16.993 0.598 1001 1HB ARG1043 HB1 ARG1043 -4.722 -16.785 -0.109 1002 2HB ARG1043 HB2 ARG1043 -4.010 -15.696 1.058 1003 1HG ARG1043 HG1 ARG1043 -5.351 -14.379 -0.289 1004 2HG ARG1043 HG2 ARG1043 -3.717 -14.088 -0.871 1005 1HD ARG1043 HD1 ARG1043 -5.694 -14.491 -2.523 1006 2HD ARG1043 HD2 ARG1043 -4.090 -15.125 -2.848 1007 HE ARG1043 HE ARG1043 -5.477 -17.121 -1.533 1008 1HH1 ARG1043 2HH1 ARG1043 -5.772 -15.245 -4.470 1009 2HH1 ARG1043 1HH1 ARG1043 -6.421 -16.562 -5.406 1010 1HH2 ARG1043 2HH2 ARG1043 -6.272 -18.899 -2.797 1011 2HH2 ARG1043 1HH2 ARG1043 -6.707 -18.637 -4.462 1012 H LEU1044 H LEU1044 -2.466 -16.519 -2.903 1013 HA LEU1044 HA LEU1044 -3.314 -19.255 -3.272 1014 1HB LEU1044 HB1 LEU1044 -4.051 -18.006 -5.010 1015 2HB LEU1044 HB2 LEU1044 -2.654 -16.982 -5.003 1016 HG LEU1044 HG LEU1044 -1.397 -19.003 -6.001 1017 1HD1 LEU1044 1HD1 LEU1044 -3.091 -20.683 -5.550 1018 2HD1 LEU1044 2HD1 LEU1044 -4.250 -19.810 -6.553 1019 3HD1 LEU1044 3HD1 LEU1044 -2.818 -20.534 -7.286 1020 1HD2 LEU1044 1HD2 LEU1044 -1.952 -16.945 -7.222 1021 2HD2 LEU1044 2HD2 LEU1044 -2.040 -18.377 -8.247 1022 3HD2 LEU1044 3HD2 LEU1044 -3.520 -17.632 -7.640 1023 H LYS1045 H LYS1045 -0.281 -17.568 -3.022 1024 HA LYS1045 HA LYS1045 1.473 -19.649 -3.720 1025 1HB LYS1045 HB1 LYS1045 1.570 -17.189 -2.118 1026 2HB LYS1045 HB2 LYS1045 2.637 -18.447 -1.517 1027 1HG LYS1045 HG1 LYS1045 3.802 -16.957 -3.001 1028 2HG LYS1045 HG2 LYS1045 3.719 -18.578 -3.680 1029 1HD LYS1045 HD1 LYS1045 1.880 -17.879 -5.140 1030 2HD LYS1045 HD2 LYS1045 1.960 -16.252 -4.457 1031 1HE LYS1045 HE1 LYS1045 4.258 -16.034 -5.256 1032 2HE LYS1045 HE2 LYS1045 4.174 -17.656 -5.937 1033 1HZ LYS1045 HZ1 LYS1045 2.373 -16.883 -7.393 1034 2HZ LYS1045 HZ2 LYS1045 2.555 -15.313 -6.779 1035 3HZ LYS1045 HZ3 LYS1045 3.816 -16.028 -7.649 1036 H MET1046 H MET1046 -0.351 -18.898 -0.830 1037 HA MET1046 HA MET1046 0.541 -21.091 0.725 1038 1HB MET1046 HB1 MET1046 -0.652 -19.064 1.589 1039 2HB MET1046 HB2 MET1046 -2.126 -19.686 0.865 1040 1HG MET1046 HG1 MET1046 -1.902 -21.709 2.274 1041 2HG MET1046 HG2 MET1046 -0.504 -20.955 3.046 1042 1HE MET1046 HE1 MET1046 -2.941 -22.019 4.747 1043 2HE MET1046 HE2 MET1046 -1.558 -21.187 5.457 1044 3HE MET1046 HE3 MET1046 -3.197 -20.678 5.864 1045 H ILE1047 H ILE1047 -2.078 -20.621 -1.587 1046 HA ILE1047 HA ILE1047 -3.290 -23.152 -1.451 1047 HB ILE1047 HB ILE1047 -2.949 -21.232 -3.760 1048 1HG1 ILE1047 1HG1 ILE1047 -4.363 -20.473 -1.902 1049 2HG1 ILE1047 2HG1 ILE1047 -5.306 -20.732 -3.367 1050 1HG2 ILE1047 1HG2 ILE1047 -4.655 -22.505 -4.973 1051 2HG2 ILE1047 2HG2 ILE1047 -3.197 -23.460 -4.701 1052 3HG2 ILE1047 3HG2 ILE1047 -4.628 -23.736 -3.709 1053 1HD1 ILE1047 1HD1 ILE1047 -6.044 -22.892 -2.489 1054 2HD1 ILE1047 2HD1 ILE1047 -5.128 -22.593 -1.012 1055 3HD1 ILE1047 3HD1 ILE1047 -6.488 -21.553 -1.433 1056 H SER1048 H SER1048 -0.602 -21.936 -3.406 1057 HA SER1048 HA SER1048 0.161 -24.133 -4.841 1058 1HB SER1048 HB1 SER1048 1.311 -22.013 -5.045 1059 2HB SER1048 HB2 SER1048 1.920 -22.136 -3.398 1060 HG SER1048 HG SER1048 3.579 -23.047 -4.283 1061 H GLN1049 H GLN1049 0.753 -23.584 -1.392 1062 HA GLN1049 HA GLN1049 2.146 -26.135 -1.184 1063 1HB GLN1049 HB1 GLN1049 1.546 -24.012 0.880 1064 2HB GLN1049 HB2 GLN1049 2.418 -25.500 1.217 1065 1HG GLN1049 HG1 GLN1049 3.274 -23.306 -0.658 1066 2HG GLN1049 HG2 GLN1049 3.968 -23.679 0.921 1067 1HE2 GLN1049 2HE2 GLN1049 3.740 -24.613 -2.401 1068 2HE2 GLN1049 1HE2 GLN1049 4.999 -25.797 -2.382 1069 H SER1050 H SER1050 -0.720 -24.587 0.265 1070 HA SER1050 HA SER1050 -1.821 -27.277 0.689 1071 1HB SER1050 HB1 SER1050 -0.983 -26.333 2.832 1072 2HB SER1050 HB2 SER1050 -2.064 -24.958 2.624 1073 HG SER1050 HG SER1050 -3.706 -26.133 3.236 1074 H ARG1051 H ARG1051 -2.802 -26.728 -1.400 1075 HA ARG1051 HA ARG1051 -4.803 -24.774 -1.647 1076 1HB ARG1051 HB1 ARG1051 -3.909 -25.753 -3.627 1077 2HB ARG1051 HB2 ARG1051 -4.346 -27.374 -3.103 1078 1HG ARG1051 HG1 ARG1051 -6.719 -26.794 -3.319 1079 2HG ARG1051 HG2 ARG1051 -6.262 -25.179 -3.866 1080 1HD ARG1051 HD1 ARG1051 -5.248 -26.042 -5.831 1081 2HD ARG1051 HD2 ARG1051 -5.369 -27.699 -5.242 1082 HE ARG1051 HE ARG1051 -7.949 -26.901 -5.319 1083 1HH1 ARG1051 2HH1 ARG1051 -5.361 -26.783 -7.680 1084 2HH1 ARG1051 1HH1 ARG1051 -6.431 -26.978 -9.042 1085 1HH2 ARG1051 2HH2 ARG1051 -9.343 -27.192 -7.093 1086 2HH2 ARG1051 1HH2 ARG1051 -8.694 -27.236 -8.705 1087 HA PRO1052 HA PRO1052 -8.077 -28.197 -0.748 1088 1HB PRO1052 HB1 PRO1052 -6.662 -30.318 0.716 1089 2HB PRO1052 HB2 PRO1052 -7.748 -30.443 -0.672 1090 1HG PRO1052 HG1 PRO1052 -5.109 -30.879 -0.907 1091 2HG PRO1052 HG2 PRO1052 -6.050 -30.111 -2.200 1092 1HD PRO1052 HD1 PRO1052 -4.271 -28.843 -0.145 1093 2HD PRO1052 HD2 PRO1052 -4.402 -28.503 -1.885 1094 H HIS1053 H HIS1053 -5.599 -27.357 1.509 1095 HA HIS1053 HA HIS1053 -7.583 -27.398 3.688 1096 1HB HIS1053 HB1 HIS1053 -4.587 -27.745 3.951 1097 2HB HIS1053 HB2 HIS1053 -5.740 -27.731 5.276 1098 HD1 HIS1053 HD1 HIS1053 -3.725 -30.067 3.977 1099 HD2 HIS1053 HD2 HIS1053 -7.879 -29.928 4.178 1100 HE1 HIS1053 HE1 HIS1053 -4.498 -32.455 3.797 1101 HE2 HIS1053 HE2 HIS1053 -6.999 -32.362 4.082 Start of MODEL 17 1 1H ARG 920 H ARG 920 -7.457 -19.838 -2.986 2 HA ARG 920 HA ARG 920 -8.681 -19.849 -0.326 3 1HB ARG 920 HB1 ARG 920 -6.225 -19.690 -0.551 4 2HB ARG 920 HB2 ARG 920 -6.426 -18.199 -1.457 5 1HG ARG 920 HG1 ARG 920 -5.878 -17.474 0.642 6 2HG ARG 920 HG2 ARG 920 -7.644 -17.332 0.627 7 1HD ARG 920 HD1 ARG 920 -7.639 -19.669 1.673 8 2HD ARG 920 HD2 ARG 920 -5.916 -19.405 1.924 9 HE ARG 920 HE ARG 920 -8.027 -17.724 3.118 10 1HH1 ARG 920 2HH1 ARG 920 -4.846 -19.199 3.225 11 2HH1 ARG 920 1HH1 ARG 920 -4.511 -18.660 4.834 12 1HH2 ARG 920 2HH2 ARG 920 -7.595 -17.039 5.240 13 2HH2 ARG 920 1HH2 ARG 920 -6.083 -17.442 6.001 14 H SER 921 H SER 921 -9.961 -18.207 0.419 15 HA SER 921 HA SER 921 -11.239 -16.596 -1.577 16 1HB SER 921 HB1 SER 921 -12.628 -15.882 0.471 17 2HB SER 921 HB2 SER 921 -12.703 -17.572 -0.029 18 HG SER 921 HG SER 921 -12.263 -16.896 2.328 19 H ASN 922 H ASN 922 -8.558 -15.866 -1.170 20 HA ASN 922 HA ASN 922 -7.201 -14.055 -0.974 21 1HB ASN 922 HB1 ASN 922 -9.466 -12.188 -1.394 22 2HB ASN 922 HB2 ASN 922 -7.919 -12.280 -2.228 23 1HD2 ASN 922 2HD2 ASN 922 -7.627 -13.784 -3.865 24 2HD2 ASN 922 1HD2 ASN 922 -8.973 -14.510 -4.682 25 H ASP 923 H ASP 923 -7.445 -14.735 1.326 26 HA ASP 923 HA ASP 923 -8.884 -13.553 3.302 27 1HB ASP 923 HB1 ASP 923 -7.113 -14.291 4.821 28 2HB ASP 923 HB2 ASP 923 -7.465 -15.513 3.612 29 H LYS 924 H LYS 924 -7.354 -12.503 5.163 30 HA LYS 924 HA LYS 924 -7.573 -9.814 4.988 31 1HB LYS 924 HB1 LYS 924 -6.729 -11.571 6.873 32 2HB LYS 924 HB2 LYS 924 -5.228 -10.721 6.539 33 1HG LYS 924 HG1 LYS 924 -7.745 -9.217 7.143 34 2HG LYS 924 HG2 LYS 924 -6.746 -9.886 8.435 35 1HD LYS 924 HD1 LYS 924 -4.832 -8.616 7.623 36 2HD LYS 924 HD2 LYS 924 -5.806 -7.972 6.301 37 1HE LYS 924 HE1 LYS 924 -5.596 -6.358 8.112 38 2HE LYS 924 HE2 LYS 924 -7.273 -6.868 7.903 39 1HZ LYS 924 HZ1 LYS 924 -5.392 -7.880 9.977 40 2HZ LYS 924 HZ2 LYS 924 -6.656 -6.785 10.242 41 3HZ LYS 924 HZ3 LYS 924 -7.000 -8.382 9.784 42 H VAL 925 H VAL 925 -5.334 -11.545 3.169 43 HA VAL 925 HA VAL 925 -3.276 -9.577 2.947 44 HB VAL 925 HB VAL 925 -2.769 -10.899 0.774 45 1HG1 VAL 925 1HG1 VAL 925 -2.687 -12.281 3.466 46 2HG1 VAL 925 2HG1 VAL 925 -1.724 -12.728 2.058 47 3HG1 VAL 925 3HG1 VAL 925 -1.481 -11.162 2.830 48 1HG2 VAL 925 1HG2 VAL 925 -3.702 -13.165 0.717 49 2HG2 VAL 925 2HG2 VAL 925 -4.781 -12.748 2.048 50 3HG2 VAL 925 3HG2 VAL 925 -4.939 -11.929 0.494 51 H TYR 926 H TYR 926 -6.079 -10.572 0.882 52 HA TYR 926 HA TYR 926 -5.348 -8.588 -1.135 53 1HB TYR 926 HB1 TYR 926 -6.318 -10.663 -1.859 54 2HB TYR 926 HB2 TYR 926 -7.657 -10.524 -0.732 55 HD1 TYR 926 HD1 TYR 926 -9.630 -9.384 -1.308 56 HD2 TYR 926 HD2 TYR 926 -6.242 -9.177 -3.868 57 HE1 TYR 926 HE1 TYR 926 -11.030 -8.386 -3.070 58 HE2 TYR 926 HE2 TYR 926 -7.624 -8.173 -5.636 59 HH TYR 926 HH TYR 926 -10.061 -8.167 -6.271 60 H GLU 927 H GLU 927 -7.423 -8.920 1.600 61 HA GLU 927 HA GLU 927 -9.206 -6.766 1.056 62 1HB GLU 927 HB1 GLU 927 -8.596 -8.524 3.402 63 2HB GLU 927 HB2 GLU 927 -9.681 -7.163 3.582 64 1HG GLU 927 HG1 GLU 927 -10.013 -9.437 1.639 65 2HG GLU 927 HG2 GLU 927 -10.889 -9.240 3.156 66 H ASN 928 H ASN 928 -6.466 -7.130 3.312 67 HA ASN 928 HA ASN 928 -6.833 -4.497 4.348 68 1HB ASN 928 HB1 ASN 928 -5.912 -6.349 5.693 69 2HB ASN 928 HB2 ASN 928 -4.475 -6.346 4.680 70 1HD2 ASN 928 2HD2 ASN 928 -3.205 -5.968 6.476 71 2HD2 ASN 928 1HD2 ASN 928 -3.098 -4.402 7.210 72 H VAL 929 H VAL 929 -4.764 -5.873 1.852 73 HA VAL 929 HA VAL 929 -3.136 -3.574 1.576 74 HB VAL 929 HB VAL 929 -2.576 -5.767 0.539 75 1HG1 VAL 929 1HG1 VAL 929 -4.648 -5.030 -1.506 76 2HG1 VAL 929 2HG1 VAL 929 -3.567 -6.419 -1.546 77 3HG1 VAL 929 3HG1 VAL 929 -4.810 -6.310 -0.302 78 1HG2 VAL 929 1HG2 VAL 929 -2.695 -3.394 -1.313 79 2HG2 VAL 929 2HG2 VAL 929 -1.419 -3.763 -0.153 80 3HG2 VAL 929 3HG2 VAL 929 -1.677 -4.816 -1.544 81 H THR 930 H THR 930 -6.137 -4.542 -0.168 82 HA THR 930 HA THR 930 -6.773 -2.218 -1.401 83 HB THR 930 HB THR 930 -8.692 -3.898 0.236 84 HG1 THR 930 HG1 THR 930 -8.023 -5.322 -1.221 85 1HG2 THR 930 1HG2 THR 930 -10.401 -3.093 -1.335 86 2HG2 THR 930 2HG2 THR 930 -9.677 -1.761 -0.434 87 3HG2 THR 930 3HG2 THR 930 -9.200 -2.054 -2.106 88 H GLY 931 H GLY 931 -6.736 -2.841 2.031 89 1HA GLY 931 HA1 GLY 931 -8.103 -0.567 2.960 90 2HA GLY 931 HA2 GLY 931 -6.867 -1.449 3.845 91 H LEU 932 H LEU 932 -4.760 -0.992 1.839 92 HA LEU 932 HA LEU 932 -3.861 1.576 2.669 93 1HB LEU 932 HB1 LEU 932 -2.621 -0.576 1.642 94 2HB LEU 932 HB2 LEU 932 -2.792 0.362 0.171 95 HG LEU 932 HG LEU 932 -1.374 1.271 2.682 96 1HD1 LEU 932 1HD1 LEU 932 -0.282 0.446 -0.002 97 2HD1 LEU 932 2HD1 LEU 932 0.657 1.077 1.351 98 3HD1 LEU 932 3HD1 LEU 932 -0.164 -0.476 1.497 99 1HD2 LEU 932 1HD2 LEU 932 -0.626 3.169 1.356 100 2HD2 LEU 932 2HD2 LEU 932 -1.591 2.610 -0.009 101 3HD2 LEU 932 3HD2 LEU 932 -2.386 3.138 1.473 102 H VAL 933 H VAL 933 -5.348 0.313 -0.262 103 HA VAL 933 HA VAL 933 -5.368 2.702 -1.757 104 HB VAL 933 HB VAL 933 -7.374 0.441 -1.910 105 1HG1 VAL 933 1HG1 VAL 933 -8.080 2.424 -3.122 106 2HG1 VAL 933 2HG1 VAL 933 -6.523 2.495 -3.949 107 3HG1 VAL 933 3HG1 VAL 933 -7.622 1.149 -4.250 108 1HG2 VAL 933 1HG2 VAL 933 -5.098 -0.424 -2.073 109 2HG2 VAL 933 2HG2 VAL 933 -5.921 -0.520 -3.630 110 3HG2 VAL 933 3HG2 VAL 933 -4.734 0.750 -3.339 111 H LYS 934 H LYS 934 -7.455 1.434 0.725 112 HA LYS 934 HA LYS 934 -9.586 3.314 0.326 113 1HB LYS 934 HB1 LYS 934 -8.967 1.716 2.819 114 2HB LYS 934 HB2 LYS 934 -10.492 2.485 2.420 115 1HG LYS 934 HG1 LYS 934 -9.259 0.186 0.918 116 2HG LYS 934 HG2 LYS 934 -10.532 0.045 2.126 117 1HD LYS 934 HD1 LYS 934 -11.746 0.012 0.166 118 2HD LYS 934 HD2 LYS 934 -11.800 1.726 0.578 119 1HE LYS 934 HE1 LYS 934 -9.979 2.175 -0.972 120 2HE LYS 934 HE2 LYS 934 -9.845 0.457 -1.345 121 1HZ LYS 934 HZ1 LYS 934 -12.194 2.193 -1.908 122 2HZ LYS 934 HZ2 LYS 934 -11.087 1.603 -3.053 123 3HZ LYS 934 HZ3 LYS 934 -12.105 0.528 -2.226 124 H ALA 935 H ALA 935 -6.643 3.149 2.172 125 HA ALA 935 HA ALA 935 -7.222 5.428 3.811 126 1HB ALA 935 HB1 ALA 935 -4.598 4.068 3.272 127 2HB ALA 935 HB2 ALA 935 -4.931 5.225 4.561 128 3HB ALA 935 HB3 ALA 935 -5.727 3.651 4.561 129 H VAL 936 H VAL 936 -5.582 4.865 0.750 130 HA VAL 936 HA VAL 936 -4.671 7.581 0.635 131 HB VAL 936 HB VAL 936 -3.457 5.778 -0.524 132 1HG1 VAL 936 1HG1 VAL 936 -5.797 5.792 -2.430 133 2HG1 VAL 936 2HG1 VAL 936 -4.275 4.935 -2.673 134 3HG1 VAL 936 3HG1 VAL 936 -5.344 4.477 -1.346 135 1HG2 VAL 936 1HG2 VAL 936 -3.044 7.025 -2.624 136 2HG2 VAL 936 2HG2 VAL 936 -4.447 8.029 -2.267 137 3HG2 VAL 936 3HG2 VAL 936 -3.052 8.051 -1.189 138 H ILE 937 H ILE 937 -7.603 5.951 0.029 139 HA ILE 937 HA ILE 937 -8.848 8.025 -1.469 140 HB ILE 937 HB ILE 937 -10.046 6.037 0.474 141 1HG1 ILE 937 1HG1 ILE 937 -9.085 5.005 -1.516 142 2HG1 ILE 937 2HG1 ILE 937 -10.841 4.910 -1.565 143 1HG2 ILE 937 1HG2 ILE 937 -12.222 6.631 -0.482 144 2HG2 ILE 937 2HG2 ILE 937 -11.469 8.006 0.327 145 3HG2 ILE 937 3HG2 ILE 937 -11.454 7.902 -1.433 146 1HD1 ILE 937 1HD1 ILE 937 -9.906 5.452 -3.745 147 2HD1 ILE 937 2HD1 ILE 937 -10.906 6.772 -3.137 148 3HD1 ILE 937 3HD1 ILE 937 -9.146 6.893 -3.071 149 H GLU 938 H GLU 938 -8.333 7.375 1.968 150 HA GLU 938 HA GLU 938 -9.555 9.669 3.042 151 1HB GLU 938 HB1 GLU 938 -7.077 8.209 4.024 152 2HB GLU 938 HB2 GLU 938 -8.036 9.344 4.968 153 1HG GLU 938 HG1 GLU 938 -9.985 7.847 4.770 154 2HG GLU 938 HG2 GLU 938 -8.988 6.699 3.880 155 H MET 939 H MET 939 -6.284 9.037 1.967 156 HA MET 939 HA MET 939 -5.146 11.546 2.335 157 1HB MET 939 HB1 MET 939 -3.840 9.588 1.656 158 2HB MET 939 HB2 MET 939 -4.615 9.609 0.077 159 1HG MET 939 HG1 MET 939 -3.642 11.812 -0.357 160 2HG MET 939 HG2 MET 939 -2.836 11.750 1.209 161 1HE MET 939 HE1 MET 939 -1.224 12.356 -1.370 162 2HE MET 939 HE2 MET 939 -0.475 12.158 0.215 163 3HE MET 939 HE3 MET 939 0.171 11.295 -1.180 164 H SER 940 H SER 940 -6.923 10.329 -0.497 165 HA SER 940 HA SER 940 -6.759 12.723 -1.985 166 1HB SER 940 HB1 SER 940 -7.358 10.451 -2.900 167 2HB SER 940 HB2 SER 940 -8.945 10.636 -2.154 168 HG SER 940 HG SER 940 -9.468 11.646 -3.923 169 H SER 941 H SER 941 -8.950 11.611 0.530 170 HA SER 941 HA SER 941 -10.939 13.637 -0.002 171 1HB SER 941 HB1 SER 941 -10.569 11.847 2.418 172 2HB SER 941 HB2 SER 941 -11.999 12.817 2.064 173 HG SER 941 HG SER 941 -10.976 10.648 0.529 174 H LYS 942 H LYS 942 -8.154 13.198 1.934 175 HA LYS 942 HA LYS 942 -8.430 15.411 3.666 176 1HB LYS 942 HB1 LYS 942 -6.278 13.562 2.793 177 2HB LYS 942 HB2 LYS 942 -5.787 15.074 3.541 178 1HG LYS 942 HG1 LYS 942 -7.793 13.286 4.846 179 2HG LYS 942 HG2 LYS 942 -6.052 13.016 5.022 180 1HD LYS 942 HD1 LYS 942 -5.774 15.293 5.815 181 2HD LYS 942 HD2 LYS 942 -7.511 15.571 5.643 182 1HE LYS 942 HE1 LYS 942 -6.187 13.570 7.482 183 2HE LYS 942 HE2 LYS 942 -6.939 15.086 7.969 184 1HZ LYS 942 HZ1 LYS 942 -9.068 14.269 7.272 185 2HZ LYS 942 HZ2 LYS 942 -8.382 12.847 6.658 186 3HZ LYS 942 HZ3 LYS 942 -8.374 13.138 8.328 187 H ILE 943 H ILE 943 -6.404 14.928 0.793 188 HA ILE 943 HA ILE 943 -5.197 17.418 0.989 189 HB ILE 943 HB ILE 943 -4.242 15.496 -0.214 190 1HG1 ILE 943 1HG1 ILE 943 -3.683 18.009 -0.749 191 2HG1 ILE 943 2HG1 ILE 943 -2.992 16.714 -1.715 192 1HG2 ILE 943 1HG2 ILE 943 -4.954 14.949 -2.495 193 2HG2 ILE 943 2HG2 ILE 943 -6.221 14.654 -1.306 194 3HG2 ILE 943 3HG2 ILE 943 -6.296 16.083 -2.337 195 1HD1 ILE 943 1HD1 ILE 943 -5.379 18.393 -2.461 196 2HD1 ILE 943 2HD1 ILE 943 -3.745 18.553 -3.105 197 3HD1 ILE 943 3HD1 ILE 943 -4.684 17.097 -3.435 198 H GLN 944 H GLN 944 -8.190 16.512 -0.630 199 HA GLN 944 HA GLN 944 -8.199 18.809 -2.328 200 1HB GLN 944 HB1 GLN 944 -10.365 16.823 -1.665 201 2HB GLN 944 HB2 GLN 944 -10.572 18.136 -2.815 202 1HG GLN 944 HG1 GLN 944 -8.810 17.242 -4.204 203 2HG GLN 944 HG2 GLN 944 -8.478 15.987 -3.020 204 1HE2 GLN 944 2HE2 GLN 944 -9.777 14.241 -2.894 205 2HE2 GLN 944 1HE2 GLN 944 -10.999 13.867 -4.066 206 HA PRO 945 HA PRO 945 -11.158 20.936 0.573 207 1HB PRO 945 HB1 PRO 945 -12.611 19.732 2.457 208 2HB PRO 945 HB2 PRO 945 -13.017 19.596 0.742 209 1HG PRO 945 HG1 PRO 945 -11.691 17.629 2.535 210 2HG PRO 945 HG2 PRO 945 -12.836 17.354 1.210 211 1HD PRO 945 HD1 PRO 945 -10.050 17.095 1.067 212 2HD PRO 945 HD2 PRO 945 -11.163 17.186 -0.310 213 H ALA 946 H ALA 946 -8.515 19.453 1.750 214 HA ALA 946 HA ALA 946 -8.611 21.120 4.180 215 1HB ALA 946 HB1 ALA 946 -7.196 18.468 3.917 216 2HB ALA 946 HB2 ALA 946 -7.192 19.513 5.338 217 3HB ALA 946 HB3 ALA 946 -8.693 18.758 4.803 218 HA PRO 947 HA PRO 947 -4.984 23.059 2.615 219 1HB PRO 947 HB1 PRO 947 -4.113 23.832 5.250 220 2HB PRO 947 HB2 PRO 947 -4.994 24.795 4.064 221 1HG PRO 947 HG1 PRO 947 -6.045 23.956 6.456 222 2HG PRO 947 HG2 PRO 947 -7.018 24.342 5.026 223 1HD PRO 947 HD1 PRO 947 -6.127 21.677 6.054 224 2HD PRO 947 HD2 PRO 947 -7.703 22.158 5.383 225 HA PRO 948 HA PRO 948 -1.110 20.973 2.768 226 1HB PRO 948 HB1 PRO 948 0.143 23.278 4.177 227 2HB PRO 948 HB2 PRO 948 0.681 22.418 2.728 228 1HG PRO 948 HG1 PRO 948 -0.487 24.778 2.491 229 2HG PRO 948 HG2 PRO 948 -0.895 23.468 1.365 230 1HD PRO 948 HD1 PRO 948 -2.450 24.522 3.689 231 2HD PRO 948 HD2 PRO 948 -3.028 23.958 2.108 232 H GLU 949 H GLU 949 -1.841 22.513 5.847 233 HA GLU 949 HA GLU 949 -0.177 20.992 7.462 234 1HB GLU 949 HB1 GLU 949 -2.137 21.259 9.154 235 2HB GLU 949 HB2 GLU 949 -1.211 22.653 8.627 236 1HG GLU 949 HG1 GLU 949 -3.631 21.989 7.079 237 2HG GLU 949 HG2 GLU 949 -3.861 22.629 8.708 238 H GLU 950 H GLU 950 -3.223 20.128 5.942 239 HA GLU 950 HA GLU 950 -3.187 17.545 7.278 240 1HB GLU 950 HB1 GLU 950 -5.165 18.958 5.562 241 2HB GLU 950 HB2 GLU 950 -5.196 17.198 5.617 242 1HG GLU 950 HG1 GLU 950 -6.756 18.219 7.206 243 2HG GLU 950 HG2 GLU 950 -5.535 17.231 7.998 244 H TYR 951 H TYR 951 -1.671 18.856 4.634 245 HA TYR 951 HA TYR 951 -1.830 16.683 2.816 246 1HB TYR 951 HB1 TYR 951 0.327 18.757 3.247 247 2HB TYR 951 HB2 TYR 951 0.420 17.531 1.989 248 HD1 TYR 951 HD1 TYR 951 0.682 20.058 0.962 249 HD2 TYR 951 HD2 TYR 951 -2.938 18.183 2.164 250 HE1 TYR 951 HE1 TYR 951 -0.567 21.523 -0.556 251 HE2 TYR 951 HE2 TYR 951 -4.206 19.640 0.645 252 HH TYR 951 HH TYR 951 -3.917 21.884 -0.432 253 H VAL 952 H VAL 952 0.099 17.375 5.668 254 HA VAL 952 HA VAL 952 1.515 14.909 5.339 255 HB VAL 952 HB VAL 952 2.911 16.231 6.497 256 1HG1 VAL 952 1HG1 VAL 952 2.283 17.744 8.349 257 2HG1 VAL 952 2HG1 VAL 952 1.463 18.116 6.834 258 3HG1 VAL 952 3HG1 VAL 952 0.597 17.282 8.123 259 1HG2 VAL 952 1HG2 VAL 952 1.434 14.888 8.768 260 2HG2 VAL 952 2HG2 VAL 952 2.690 14.159 7.766 261 3HG2 VAL 952 3HG2 VAL 952 3.083 15.510 8.828 262 HA PRO 953 HA PRO 953 -1.748 13.205 8.678 263 1HB PRO 953 HB1 PRO 953 -3.900 15.032 7.726 264 2HB PRO 953 HB2 PRO 953 -3.700 14.250 9.303 265 1HG PRO 953 HG1 PRO 953 -3.077 16.802 9.018 266 2HG PRO 953 HG2 PRO 953 -2.040 15.727 9.976 267 1HD PRO 953 HD1 PRO 953 -1.617 16.821 7.235 268 2HD PRO 953 HD2 PRO 953 -0.435 16.500 8.517 269 H MET 954 H MET 954 -2.507 14.444 5.403 270 HA MET 954 HA MET 954 -4.378 12.409 4.806 271 1HB MET 954 HB1 MET 954 -4.204 13.024 2.505 272 2HB MET 954 HB2 MET 954 -4.092 14.501 3.446 273 1HG MET 954 HG1 MET 954 -1.714 14.569 3.130 274 2HG MET 954 HG2 MET 954 -1.751 13.022 2.285 275 1HE MET 954 HE1 MET 954 -0.377 15.692 1.200 276 2HE MET 954 HE2 MET 954 -0.352 14.163 0.319 277 3HE MET 954 HE3 MET 954 -0.856 15.643 -0.498 278 H VAL 955 H VAL 955 -0.904 12.680 4.310 279 HA VAL 955 HA VAL 955 -0.708 10.044 3.221 280 HB VAL 955 HB VAL 955 1.448 11.851 4.360 281 1HG1 VAL 955 1HG1 VAL 955 2.108 9.510 4.567 282 2HG1 VAL 955 2HG1 VAL 955 1.731 9.246 2.865 283 3HG1 VAL 955 3HG1 VAL 955 3.050 10.324 3.317 284 1HG2 VAL 955 1HG2 VAL 955 0.727 11.144 1.516 285 2HG2 VAL 955 2HG2 VAL 955 0.363 12.674 2.317 286 3HG2 VAL 955 3HG2 VAL 955 2.039 12.205 2.025 287 H LYS 956 H LYS 956 -0.767 11.423 6.394 288 HA LYS 956 HA LYS 956 0.327 9.348 7.907 289 1HB LYS 956 HB1 LYS 956 -0.467 11.518 8.821 290 2HB LYS 956 HB2 LYS 956 -2.122 11.025 8.524 291 1HG LYS 956 HG1 LYS 956 -0.305 9.497 10.355 292 2HG LYS 956 HG2 LYS 956 -1.261 10.874 10.900 293 1HD LYS 956 HD1 LYS 956 -3.271 9.635 9.910 294 2HD LYS 956 HD2 LYS 956 -2.215 8.223 9.856 295 1HE LYS 956 HE1 LYS 956 -3.400 8.077 11.888 296 2HE LYS 956 HE2 LYS 956 -1.773 8.616 12.306 297 1HZ LYS 956 HZ1 LYS 956 -4.136 10.392 12.002 298 2HZ LYS 956 HZ2 LYS 956 -3.500 9.856 13.481 299 3HZ LYS 956 HZ3 LYS 956 -2.580 10.871 12.480 300 H GLU 957 H GLU 957 -2.974 9.783 6.661 301 HA GLU 957 HA GLU 957 -4.126 7.437 7.446 302 1HB GLU 957 HB1 GLU 957 -4.572 8.686 4.728 303 2HB GLU 957 HB2 GLU 957 -5.728 7.785 5.696 304 1HG GLU 957 HG1 GLU 957 -4.556 10.432 6.516 305 2HG GLU 957 HG2 GLU 957 -6.076 10.253 5.645 306 H VAL 958 H VAL 958 -2.270 7.932 4.378 307 HA VAL 958 HA VAL 958 -2.556 5.185 3.632 308 HB VAL 958 HB VAL 958 -1.164 5.607 1.767 309 1HG1 VAL 958 1HG1 VAL 958 -2.117 7.648 0.819 310 2HG1 VAL 958 2HG1 VAL 958 -3.327 6.683 1.665 311 3HG1 VAL 958 3HG1 VAL 958 -2.667 8.132 2.424 312 1HG2 VAL 958 1HG2 VAL 958 0.735 6.634 2.885 313 2HG2 VAL 958 2HG2 VAL 958 0.218 7.615 1.514 314 3HG2 VAL 958 3HG2 VAL 958 -0.196 8.106 3.158 315 H GLY 959 H GLY 959 -0.171 6.915 5.534 316 1HA GLY 959 HA1 GLY 959 1.874 4.923 5.319 317 2HA GLY 959 HA2 GLY 959 1.795 6.203 6.522 318 H LEU 960 H LEU 960 -0.507 5.695 7.767 319 HA LEU 960 HA LEU 960 -0.042 3.464 9.429 320 1HB LEU 960 HB1 LEU 960 -2.344 5.313 9.043 321 2HB LEU 960 HB2 LEU 960 -2.646 3.805 9.885 322 HG LEU 960 HG LEU 960 -2.199 5.601 11.468 323 1HD1 LEU 960 1HD1 LEU 960 -1.514 3.325 12.040 324 2HD1 LEU 960 2HD1 LEU 960 0.072 3.622 11.327 325 3HD1 LEU 960 3HD1 LEU 960 -0.435 4.523 12.754 326 1HD2 LEU 960 1HD2 LEU 960 -0.796 7.013 10.049 327 2HD2 LEU 960 2HD2 LEU 960 -0.005 6.669 11.588 328 3HD2 LEU 960 3HD2 LEU 960 0.496 5.817 10.126 329 H ALA 961 H ALA 961 -2.234 3.859 6.662 330 HA ALA 961 HA ALA 961 -3.253 1.366 6.412 331 1HB ALA 961 HB1 ALA 961 -2.064 2.946 4.146 332 2HB ALA 961 HB2 ALA 961 -3.284 1.678 4.019 333 3HB ALA 961 HB3 ALA 961 -3.667 3.189 4.842 334 H LEU 962 H LEU 962 -0.013 2.248 5.032 335 HA LEU 962 HA LEU 962 0.549 -0.431 4.343 336 1HB LEU 962 HB1 LEU 962 1.622 1.367 3.183 337 2HB LEU 962 HB2 LEU 962 2.322 1.987 4.666 338 HG LEU 962 HG LEU 962 3.869 0.798 3.023 339 1HD1 LEU 962 1HD1 LEU 962 3.794 -0.159 5.880 340 2HD1 LEU 962 2HD1 LEU 962 5.178 -0.284 4.794 341 3HD1 LEU 962 3HD1 LEU 962 4.581 1.302 5.280 342 1HD2 LEU 962 1HD2 LEU 962 3.959 -1.640 3.176 343 2HD2 LEU 962 2HD2 LEU 962 2.500 -1.631 4.164 344 3HD2 LEU 962 3HD2 LEU 962 2.431 -1.081 2.490 345 H ARG 963 H ARG 963 1.293 1.468 7.260 346 HA ARG 963 HA ARG 963 2.785 -0.437 8.631 347 1HB ARG 963 HB1 ARG 963 0.875 1.671 9.545 348 2HB ARG 963 HB2 ARG 963 1.493 0.512 10.715 349 1HG ARG 963 HG1 ARG 963 3.118 2.389 9.012 350 2HG ARG 963 HG2 ARG 963 2.829 2.516 10.748 351 1HD ARG 963 HD1 ARG 963 4.383 0.366 9.307 352 2HD ARG 963 HD2 ARG 963 5.022 1.595 10.397 353 HE ARG 963 HE ARG 963 3.187 0.222 11.902 354 1HH1 ARG 963 2HH1 ARG 963 6.102 -0.600 10.138 355 2HH1 ARG 963 1HH1 ARG 963 6.448 -2.004 11.102 356 1HH2 ARG 963 2HH2 ARG 963 3.649 -1.600 13.185 357 2HH2 ARG 963 1HH2 ARG 963 5.050 -2.571 12.843 358 H THR 964 H THR 964 -0.775 -0.083 8.703 359 HA THR 964 HA THR 964 -1.217 -2.475 10.146 360 HB THR 964 HB THR 964 -3.119 -1.178 8.185 361 HG1 THR 964 HG1 THR 964 -3.772 0.111 9.880 362 1HG2 THR 964 1HG2 THR 964 -3.608 -2.920 10.606 363 2HG2 THR 964 2HG2 THR 964 -4.857 -2.163 9.616 364 3HG2 THR 964 3HG2 THR 964 -3.815 -3.406 8.922 365 H LEU 965 H LEU 965 -1.255 -1.780 6.683 366 HA LEU 965 HA LEU 965 -1.618 -4.270 5.631 367 1HB LEU 965 HB1 LEU 965 -1.326 -2.257 4.288 368 2HB LEU 965 HB2 LEU 965 0.384 -2.237 4.676 369 HG LEU 965 HG LEU 965 0.772 -4.235 3.402 370 1HD1 LEU 965 1HD1 LEU 965 -2.222 -4.327 3.025 371 2HD1 LEU 965 2HD1 LEU 965 -1.061 -5.377 2.213 372 3HD1 LEU 965 3HD1 LEU 965 -1.254 -5.460 3.965 373 1HD2 LEU 965 1HD2 LEU 965 0.666 -2.122 2.169 374 2HD2 LEU 965 2HD2 LEU 965 0.127 -3.478 1.179 375 3HD2 LEU 965 3HD2 LEU 965 -1.056 -2.379 1.887 376 H LEU 966 H LEU 966 1.473 -3.015 6.894 377 HA LEU 966 HA LEU 966 3.033 -5.263 6.476 378 1HB LEU 966 HB1 LEU 966 3.166 -2.894 8.102 379 2HB LEU 966 HB2 LEU 966 3.786 -4.271 8.995 380 HG LEU 966 HG LEU 966 4.746 -3.485 6.241 381 1HD1 LEU 966 1HD1 LEU 966 6.749 -2.644 7.405 382 2HD1 LEU 966 2HD1 LEU 966 5.300 -1.717 7.791 383 3HD1 LEU 966 3HD1 LEU 966 5.933 -2.888 8.948 384 1HD2 LEU 966 1HD2 LEU 966 6.608 -4.984 6.768 385 2HD2 LEU 966 2HD2 LEU 966 5.846 -5.392 8.304 386 3HD2 LEU 966 3HD2 LEU 966 5.066 -5.837 6.786 387 H ALA 967 H ALA 967 0.555 -4.791 8.933 388 HA ALA 967 HA ALA 967 1.134 -7.131 10.423 389 1HB ALA 967 HB1 ALA 967 -1.170 -7.016 11.207 390 2HB ALA 967 HB2 ALA 967 -0.425 -5.418 11.223 391 3HB ALA 967 HB3 ALA 967 -1.556 -5.852 9.941 392 H THR 968 H THR 968 -0.944 -6.582 7.581 393 HA THR 968 HA THR 968 -1.642 -9.255 7.097 394 HB THR 968 HB THR 968 -1.367 -6.851 5.327 395 HG1 THR 968 HG1 THR 968 -3.690 -8.318 5.352 396 1HG2 THR 968 1HG2 THR 968 -2.205 -8.126 3.425 397 2HG2 THR 968 2HG2 THR 968 -0.642 -8.754 3.948 398 3HG2 THR 968 3HG2 THR 968 -2.123 -9.613 4.368 399 H VAL 969 H VAL 969 1.189 -7.366 6.007 400 HA VAL 969 HA VAL 969 2.486 -9.280 4.560 401 HB VAL 969 HB VAL 969 3.677 -7.225 6.431 402 1HG1 VAL 969 1HG1 VAL 969 5.739 -7.441 5.129 403 2HG1 VAL 969 2HG1 VAL 969 5.330 -8.953 5.940 404 3HG1 VAL 969 3HG1 VAL 969 5.023 -8.770 4.214 405 1HG2 VAL 969 1HG2 VAL 969 3.110 -7.185 3.470 406 2HG2 VAL 969 2HG2 VAL 969 2.300 -6.238 4.718 407 3HG2 VAL 969 3HG2 VAL 969 3.996 -5.933 4.348 408 H ASP 970 H ASP 970 2.146 -9.108 8.053 409 HA ASP 970 HA ASP 970 4.084 -11.167 8.563 410 1HB ASP 970 HB1 ASP 970 3.578 -9.514 10.287 411 2HB ASP 970 HB2 ASP 970 1.895 -10.025 10.314 412 H GLU 971 H GLU 971 0.703 -11.099 7.815 413 HA GLU 971 HA GLU 971 0.178 -13.840 8.499 414 1HB GLU 971 HB1 GLU 971 -1.203 -12.200 6.362 415 2HB GLU 971 HB2 GLU 971 -1.846 -13.591 7.220 416 1HG GLU 971 HG1 GLU 971 -1.157 -10.992 8.554 417 2HG GLU 971 HG2 GLU 971 -2.758 -11.372 7.918 418 H SER 972 H SER 972 0.984 -12.050 5.563 419 HA SER 972 HA SER 972 1.231 -14.353 3.945 420 1HB SER 972 HB1 SER 972 0.682 -12.250 2.901 421 2HB SER 972 HB2 SER 972 2.155 -11.502 3.544 422 HG SER 972 HG SER 972 3.173 -13.382 2.296 423 H LEU 973 H LEU 973 3.308 -12.785 6.221 424 HA LEU 973 HA LEU 973 5.841 -13.341 5.202 425 1HB LEU 973 HB1 LEU 973 5.158 -12.001 7.289 426 2HB LEU 973 HB2 LEU 973 5.170 -13.529 8.139 427 HG LEU 973 HG LEU 973 7.224 -12.188 8.475 428 1HD1 LEU 973 1HD1 LEU 973 7.332 -14.594 8.761 429 2HD1 LEU 973 2HD1 LEU 973 7.671 -14.796 7.042 430 3HD1 LEU 973 3HD1 LEU 973 8.838 -13.976 8.079 431 1HD2 LEU 973 1HD2 LEU 973 7.673 -12.693 5.542 432 2HD2 LEU 973 2HD2 LEU 973 7.348 -11.131 6.297 433 3HD2 LEU 973 3HD2 LEU 973 8.843 -11.994 6.659 434 HA PRO 974 HA PRO 974 5.750 -17.795 7.169 435 1HB PRO 974 HB1 PRO 974 3.124 -18.710 7.450 436 2HB PRO 974 HB2 PRO 974 4.228 -18.323 8.772 437 1HG PRO 974 HG1 PRO 974 2.036 -16.700 7.595 438 2HG PRO 974 HG2 PRO 974 2.606 -16.779 9.273 439 1HD PRO 974 HD1 PRO 974 3.185 -14.702 7.658 440 2HD PRO 974 HD2 PRO 974 4.325 -15.284 8.888 441 H VAL 975 H VAL 975 3.232 -16.355 5.170 442 HA VAL 975 HA VAL 975 3.186 -18.597 3.332 443 HB VAL 975 HB VAL 975 2.259 -15.824 2.634 444 1HG1 VAL 975 1HG1 VAL 975 0.650 -17.055 1.262 445 2HG1 VAL 975 2HG1 VAL 975 2.313 -17.460 0.831 446 3HG1 VAL 975 3HG1 VAL 975 1.355 -18.577 1.804 447 1HG2 VAL 975 1HG2 VAL 975 0.735 -17.930 4.169 448 2HG2 VAL 975 2HG2 VAL 975 1.313 -16.396 4.819 449 3HG2 VAL 975 3HG2 VAL 975 0.073 -16.411 3.564 450 H LEU 976 H LEU 976 5.358 -15.912 3.742 451 HA LEU 976 HA LEU 976 6.433 -15.749 1.163 452 1HB LEU 976 HB1 LEU 976 7.637 -15.255 3.860 453 2HB LEU 976 HB2 LEU 976 8.682 -15.341 2.463 454 HG LEU 976 HG LEU 976 7.399 -13.510 1.421 455 1HD1 LEU 976 1HD1 LEU 976 5.992 -12.123 2.822 456 2HD1 LEU 976 2HD1 LEU 976 5.320 -13.745 2.649 457 3HD1 LEU 976 3HD1 LEU 976 6.144 -13.286 4.140 458 1HD2 LEU 976 1HD2 LEU 976 9.509 -13.113 2.535 459 2HD2 LEU 976 2HD2 LEU 976 8.406 -11.767 2.820 460 3HD2 LEU 976 3HD2 LEU 976 8.687 -12.958 4.087 461 HA PRO 977 HA PRO 977 9.563 -19.333 2.297 462 1HB PRO 977 HB1 PRO 977 8.053 -20.632 4.504 463 2HB PRO 977 HB2 PRO 977 9.798 -20.439 4.295 464 1HG PRO 977 HG1 PRO 977 8.478 -18.952 6.059 465 2HG PRO 977 HG2 PRO 977 9.784 -18.259 5.078 466 1HD PRO 977 HD1 PRO 977 6.824 -17.987 4.762 467 2HD PRO 977 HD2 PRO 977 8.098 -16.770 4.544 468 H ALA 978 H ALA 978 6.105 -19.685 2.855 469 HA ALA 978 HA ALA 978 5.737 -22.165 1.612 470 1HB ALA 978 HB1 ALA 978 3.994 -21.069 2.926 471 2HB ALA 978 HB2 ALA 978 3.836 -19.823 1.688 472 3HB ALA 978 HB3 ALA 978 3.410 -21.495 1.317 473 H SER 979 H SER 979 5.462 -18.877 0.212 474 HA SER 979 HA SER 979 6.496 -19.665 -2.306 475 1HB SER 979 HB1 SER 979 3.531 -19.756 -1.915 476 2HB SER 979 HB2 SER 979 4.157 -19.183 -3.467 477 HG SER 979 HG SER 979 5.093 -21.591 -2.318 478 H THR 980 H THR 980 4.564 -17.333 -0.495 479 HA THR 980 HA THR 980 4.282 -15.342 -2.429 480 HB THR 980 HB THR 980 4.461 -14.904 0.544 481 HG1 THR 980 HG1 THR 980 2.158 -15.252 0.390 482 1HG2 THR 980 1HG2 THR 980 2.940 -13.031 0.079 483 2HG2 THR 980 2HG2 THR 980 4.474 -12.840 -0.771 484 3HG2 THR 980 3HG2 THR 980 3.041 -13.381 -1.647 485 H HIS 981 H HIS 981 7.144 -16.051 -0.579 486 HA HIS 981 HA HIS 981 8.171 -13.534 -0.204 487 1HB HIS 981 HB1 HIS 981 10.454 -14.554 -0.226 488 2HB HIS 981 HB2 HIS 981 9.301 -15.336 0.838 489 HD1 HIS 981 HD1 HIS 981 10.824 -17.429 0.821 490 HD2 HIS 981 HD2 HIS 981 9.190 -16.464 -2.881 491 HE1 HIS 981 HE1 HIS 981 11.165 -19.460 -0.627 492 HE2 HIS 981 HE2 HIS 981 9.981 -18.928 -2.787 493 H ARG 982 H ARG 982 7.854 -15.092 -3.277 494 HA ARG 982 HA ARG 982 9.892 -13.576 -4.577 495 1HB ARG 982 HB1 ARG 982 7.397 -14.847 -5.727 496 2HB ARG 982 HB2 ARG 982 8.756 -14.238 -6.665 497 1HG ARG 982 HG1 ARG 982 10.218 -15.893 -5.669 498 2HG ARG 982 HG2 ARG 982 8.896 -16.481 -4.660 499 1HD ARG 982 HD1 ARG 982 9.216 -17.933 -6.578 500 2HD ARG 982 HD2 ARG 982 7.657 -17.115 -6.679 501 HE ARG 982 HE ARG 982 8.494 -15.780 -8.441 502 1HH1 ARG 982 2HH1 ARG 982 10.795 -18.178 -7.314 503 2HH1 ARG 982 1HH1 ARG 982 11.753 -18.130 -8.765 504 1HH2 ARG 982 2HH2 ARG 982 9.770 -15.694 -10.347 505 2HH2 ARG 982 1HH2 ARG 982 11.180 -16.709 -10.479 506 H GLU 983 H GLU 983 6.287 -13.181 -4.713 507 HA GLU 983 HA GLU 983 6.524 -10.577 -5.741 508 1HB GLU 983 HB1 GLU 983 4.361 -12.322 -5.144 509 2HB GLU 983 HB2 GLU 983 4.046 -10.762 -4.431 510 1HG GLU 983 HG1 GLU 983 3.135 -10.720 -6.593 511 2HG GLU 983 HG2 GLU 983 4.584 -9.711 -6.590 512 H ILE 984 H ILE 984 5.968 -11.695 -2.412 513 HA ILE 984 HA ILE 984 5.152 -9.157 -1.520 514 HB ILE 984 HB ILE 984 4.846 -11.302 -0.221 515 1HG1 ILE 984 1HG1 ILE 984 6.175 -9.102 1.374 516 2HG1 ILE 984 2HG1 ILE 984 4.583 -8.912 0.647 517 1HG2 ILE 984 1HG2 ILE 984 7.730 -10.770 0.480 518 2HG2 ILE 984 2HG2 ILE 984 6.683 -11.946 1.275 519 3HG2 ILE 984 3HG2 ILE 984 7.108 -12.148 -0.425 520 1HD1 ILE 984 1HD1 ILE 984 5.327 -11.017 2.659 521 2HD1 ILE 984 2HD1 ILE 984 4.473 -9.514 3.014 522 3HD1 ILE 984 3HD1 ILE 984 3.724 -10.734 1.980 523 H GLU 985 H GLU 985 8.341 -10.684 -1.759 524 HA GLU 985 HA GLU 985 9.797 -8.534 -0.746 525 1HB GLU 985 HB1 GLU 985 10.474 -10.610 -2.792 526 2HB GLU 985 HB2 GLU 985 11.602 -9.313 -2.419 527 1HG GLU 985 HG1 GLU 985 10.483 -11.301 -0.456 528 2HG GLU 985 HG2 GLU 985 12.106 -11.321 -1.147 529 H MET 986 H MET 986 8.420 -8.935 -4.051 530 HA MET 986 HA MET 986 9.825 -6.655 -4.978 531 1HB MET 986 HB1 MET 986 8.562 -6.691 -6.991 532 2HB MET 986 HB2 MET 986 8.999 -8.331 -6.562 533 1HG MET 986 HG1 MET 986 6.809 -8.895 -6.019 534 2HG MET 986 HG2 MET 986 6.311 -7.208 -5.889 535 1HE MET 986 HE1 MET 986 7.778 -9.831 -8.448 536 2HE MET 986 HE2 MET 986 7.506 -8.982 -9.969 537 3HE MET 986 HE3 MET 986 8.645 -8.334 -8.789 538 H ALA 987 H ALA 987 6.312 -6.917 -4.275 539 HA ALA 987 HA ALA 987 6.059 -4.091 -4.491 540 1HB ALA 987 HB1 ALA 987 4.276 -5.596 -5.217 541 2HB ALA 987 HB2 ALA 987 4.003 -6.061 -3.537 542 3HB ALA 987 HB3 ALA 987 3.719 -4.397 -4.050 543 H GLN 988 H GLN 988 6.342 -6.273 -1.685 544 HA GLN 988 HA GLN 988 5.307 -4.287 0.103 545 1HB GLN 988 HB1 GLN 988 5.319 -6.743 0.612 546 2HB GLN 988 HB2 GLN 988 7.057 -6.641 0.836 547 1HG GLN 988 HG1 GLN 988 5.199 -4.914 2.419 548 2HG GLN 988 HG2 GLN 988 5.522 -6.578 2.893 549 1HE2 GLN 988 2HE2 GLN 988 6.139 -4.047 4.227 550 2HE2 GLN 988 1HE2 GLN 988 7.845 -4.066 4.499 551 H LYS 989 H LYS 989 8.583 -5.308 -0.843 552 HA LYS 989 HA LYS 989 9.872 -3.323 0.757 553 1HB LYS 989 HB1 LYS 989 10.868 -4.766 -1.709 554 2HB LYS 989 HB2 LYS 989 11.863 -3.804 -0.625 555 1HG LYS 989 HG1 LYS 989 10.409 -6.350 0.048 556 2HG LYS 989 HG2 LYS 989 12.153 -6.135 -0.125 557 1HD LYS 989 HD1 LYS 989 12.187 -4.651 1.791 558 2HD LYS 989 HD2 LYS 989 10.431 -4.751 1.931 559 1HE LYS 989 HE1 LYS 989 11.520 -6.195 3.561 560 2HE LYS 989 HE2 LYS 989 10.601 -7.142 2.392 561 1HZ LYS 989 HZ1 LYS 989 12.516 -7.894 1.365 562 2HZ LYS 989 HZ2 LYS 989 13.485 -6.650 2.001 563 3HZ LYS 989 HZ3 LYS 989 12.942 -7.905 3.005 564 H LEU 990 H LEU 990 8.259 -3.389 -2.248 565 HA LEU 990 HA LEU 990 9.272 -0.969 -3.345 566 1HB LEU 990 HB1 LEU 990 8.285 -2.500 -4.825 567 2HB LEU 990 HB2 LEU 990 6.892 -2.735 -3.800 568 HG LEU 990 HG LEU 990 5.884 -0.726 -4.525 569 1HD1 LEU 990 1HD1 LEU 990 7.004 0.889 -5.967 570 2HD1 LEU 990 2HD1 LEU 990 7.938 0.678 -4.484 571 3HD1 LEU 990 3HD1 LEU 990 8.467 -0.095 -5.978 572 1HD2 LEU 990 1HD2 LEU 990 7.243 -2.039 -6.874 573 2HD2 LEU 990 2HD2 LEU 990 5.791 -2.618 -6.060 574 3HD2 LEU 990 3HD2 LEU 990 5.761 -1.081 -6.923 575 H LEU 991 H LEU 991 6.308 -1.826 -1.609 576 HA LEU 991 HA LEU 991 5.214 0.654 -1.176 577 1HB LEU 991 HB1 LEU 991 5.316 -1.639 0.781 578 2HB LEU 991 HB2 LEU 991 4.188 -0.297 0.838 579 HG LEU 991 HG LEU 991 4.365 -2.293 -1.417 580 1HD1 LEU 991 1HD1 LEU 991 2.374 -2.092 0.841 581 2HD1 LEU 991 2HD1 LEU 991 2.285 -3.206 -0.523 582 3HD1 LEU 991 3HD1 LEU 991 3.598 -3.346 0.647 583 1HD2 LEU 991 1HD2 LEU 991 2.348 -0.134 -0.790 584 2HD2 LEU 991 2HD2 LEU 991 3.520 -0.119 -2.108 585 3HD2 LEU 991 3HD2 LEU 991 2.221 -1.312 -2.098 586 H ASN 992 H ASN 992 7.661 -0.981 0.817 587 HA ASN 992 HA ASN 992 8.139 0.935 2.714 588 1HB ASN 992 HB1 ASN 992 9.311 -1.285 2.476 589 2HB ASN 992 HB2 ASN 992 10.337 -0.543 1.252 590 1HD2 ASN 992 2HD2 ASN 992 12.217 -0.816 2.432 591 2HD2 ASN 992 1HD2 ASN 992 12.552 0.104 3.858 592 H SER 993 H SER 993 9.212 0.919 -0.644 593 HA SER 993 HA SER 993 10.725 3.342 -0.390 594 1HB SER 993 HB1 SER 993 11.330 1.635 -2.051 595 2HB SER 993 HB2 SER 993 9.787 1.880 -2.870 596 HG SER 993 HG SER 993 11.930 3.093 -3.488 597 H ASP 994 H ASP 994 7.553 2.509 -1.877 598 HA ASP 994 HA ASP 994 7.175 5.201 -2.754 599 1HB ASP 994 HB1 ASP 994 4.835 4.485 -3.311 600 2HB ASP 994 HB2 ASP 994 6.113 3.553 -4.079 601 H LEU 995 H LEU 995 5.798 3.366 -0.002 602 HA LEU 995 HA LEU 995 4.283 5.475 1.025 603 1HB LEU 995 HB1 LEU 995 4.119 3.272 2.017 604 2HB LEU 995 HB2 LEU 995 5.810 3.295 2.477 605 HG LEU 995 HG LEU 995 4.015 3.612 4.284 606 1HD1 LEU 995 1HD1 LEU 995 6.265 5.605 4.099 607 2HD1 LEU 995 2HD1 LEU 995 5.423 5.121 5.570 608 3HD1 LEU 995 3HD1 LEU 995 6.397 3.948 4.685 609 1HD2 LEU 995 1HD2 LEU 995 4.010 6.378 3.090 610 2HD2 LEU 995 2HD2 LEU 995 2.651 5.254 3.139 611 3HD2 LEU 995 3HD2 LEU 995 3.292 5.930 4.637 612 H ALA 996 H ALA 996 7.682 4.699 1.738 613 HA ALA 996 HA ALA 996 8.471 6.979 3.000 614 1HB ALA 996 HB1 ALA 996 10.103 5.614 0.873 615 2HB ALA 996 HB2 ALA 996 10.718 6.642 2.167 616 3HB ALA 996 HB3 ALA 996 9.968 5.092 2.552 617 H GLU 997 H GLU 997 7.587 6.780 -0.320 618 HA GLU 997 HA GLU 997 8.656 9.399 -0.981 619 1HB GLU 997 HB1 GLU 997 6.725 7.661 -2.506 620 2HB GLU 997 HB2 GLU 997 7.318 9.231 -3.057 621 1HG GLU 997 HG1 GLU 997 9.308 7.195 -2.265 622 2HG GLU 997 HG2 GLU 997 8.451 6.959 -3.789 623 H LEU 998 H LEU 998 5.607 8.039 0.051 624 HA LEU 998 HA LEU 998 4.245 10.543 -0.395 625 1HB LEU 998 HB1 LEU 998 3.432 7.884 0.656 626 2HB LEU 998 HB2 LEU 998 2.465 9.281 1.096 627 HG LEU 998 HG LEU 998 2.261 9.801 -1.354 628 1HD1 LEU 998 1HD1 LEU 998 2.696 7.978 -2.926 629 2HD1 LEU 998 2HD1 LEU 998 4.172 8.560 -2.157 630 3HD1 LEU 998 3HD1 LEU 998 3.439 7.047 -1.626 631 1HD2 LEU 998 1HD2 LEU 998 0.458 8.753 -0.110 632 2HD2 LEU 998 2HD2 LEU 998 0.544 8.114 -1.752 633 3HD2 LEU 998 3HD2 LEU 998 1.166 7.164 -0.402 634 H ILE 999 H ILE 999 5.757 8.828 2.227 635 HA ILE 999 HA ILE 999 4.884 10.700 4.218 636 HB ILE 999 HB ILE 999 6.643 9.910 5.687 637 1HG1 ILE 999 1HG1 ILE 999 7.601 8.220 3.374 638 2HG1 ILE 999 2HG1 ILE 999 8.418 9.658 3.977 639 1HG2 ILE 999 1HG2 ILE 999 5.978 7.556 5.816 640 2HG2 ILE 999 2HG2 ILE 999 4.604 8.628 5.545 641 3HG2 ILE 999 3HG2 ILE 999 5.262 7.682 4.210 642 1HD1 ILE 999 1HD1 ILE 999 9.466 7.636 4.809 643 2HD1 ILE 999 2HD1 ILE 999 8.757 8.564 6.130 644 3HD1 ILE 999 3HD1 ILE 999 7.939 7.122 5.527 645 H ASN1000 H ASN1000 7.318 10.778 1.776 646 HA ASN1000 HA ASN1000 8.303 13.311 2.853 647 1HB ASN1000 HB1 ASN1000 10.124 13.174 1.404 648 2HB ASN1000 HB2 ASN1000 9.819 11.494 1.795 649 1HD2 ASN1000 2HD2 ASN1000 10.418 10.368 0.107 650 2HD2 ASN1000 1HD2 ASN1000 9.947 10.662 -1.534 651 H LYS1001 H LYS1001 6.113 12.079 0.529 652 HA LYS1001 HA LYS1001 5.555 14.447 -0.858 653 1HB LYS1001 HB1 LYS1001 4.498 12.607 -1.772 654 2HB LYS1001 HB2 LYS1001 4.043 11.956 -0.210 655 1HG LYS1001 HG1 LYS1001 2.069 12.600 -1.387 656 2HG LYS1001 HG2 LYS1001 2.300 13.707 -0.036 657 1HD LYS1001 HD1 LYS1001 3.035 15.441 -1.459 658 2HD LYS1001 HD2 LYS1001 3.236 14.335 -2.822 659 1HE LYS1001 HE1 LYS1001 0.834 14.001 -2.932 660 2HE LYS1001 HE2 LYS1001 0.605 15.034 -1.520 661 1HZ LYS1001 HZ1 LYS1001 1.307 16.916 -2.733 662 2HZ LYS1001 HZ2 LYS1001 1.842 15.987 -4.043 663 3HZ LYS1001 HZ3 LYS1001 0.189 16.115 -3.714 664 H MET1002 H MET1002 4.426 13.228 2.239 665 HA MET1002 HA MET1002 2.759 15.522 2.743 666 1HB MET1002 HB1 MET1002 2.367 14.566 4.907 667 2HB MET1002 HB2 MET1002 2.298 13.264 3.729 668 1HG MET1002 HG1 MET1002 4.535 12.561 4.359 669 2HG MET1002 HG2 MET1002 4.643 13.893 5.507 670 1HE MET1002 HE1 MET1002 5.311 11.032 6.464 671 2HE MET1002 HE2 MET1002 5.207 12.388 7.587 672 3HE MET1002 HE3 MET1002 4.367 10.879 7.947 673 H LYS1003 H LYS1003 5.926 14.346 3.474 674 HA LYS1003 HA LYS1003 6.805 16.277 5.293 675 1HB LYS1003 HB1 LYS1003 7.856 14.049 4.267 676 2HB LYS1003 HB2 LYS1003 8.616 15.197 3.178 677 1HG LYS1003 HG1 LYS1003 9.539 16.362 5.151 678 2HG LYS1003 HG2 LYS1003 8.875 15.073 6.157 679 1HD LYS1003 HD1 LYS1003 10.173 13.441 4.768 680 2HD LYS1003 HD2 LYS1003 10.952 14.817 3.990 681 1HE LYS1003 HE1 LYS1003 12.415 14.042 5.698 682 2HE LYS1003 HE2 LYS1003 11.711 15.562 6.252 683 1HZ LYS1003 HZ1 LYS1003 10.724 12.872 7.040 684 2HZ LYS1003 HZ2 LYS1003 11.773 13.815 7.975 685 3HZ LYS1003 HZ3 LYS1003 10.200 14.365 7.655 686 H LEU1004 H LEU1004 7.148 16.031 1.828 687 HA LEU1004 HA LEU1004 8.561 18.453 1.481 688 1HB LEU1004 HB1 LEU1004 7.298 16.494 -0.367 689 2HB LEU1004 HB2 LEU1004 7.805 18.050 -1.008 690 HG LEU1004 HG LEU1004 9.556 15.967 0.302 691 1HD1 LEU1004 1HD1 LEU1004 10.640 15.858 -1.866 692 2HD1 LEU1004 2HD1 LEU1004 8.919 15.497 -2.014 693 3HD1 LEU1004 3HD1 LEU1004 9.535 17.078 -2.499 694 1HD2 LEU1004 1HD2 LEU1004 10.301 18.704 -0.717 695 2HD2 LEU1004 2HD2 LEU1004 10.291 18.192 0.972 696 3HD2 LEU1004 3HD2 LEU1004 11.429 17.466 -0.164 697 H ALA1005 H ALA1005 5.158 17.670 0.790 698 HA ALA1005 HA ALA1005 4.509 20.172 -0.304 699 1HB ALA1005 HB1 ALA1005 3.082 18.197 -0.527 700 2HB ALA1005 HB2 ALA1005 2.714 18.269 1.196 701 3HB ALA1005 HB3 ALA1005 2.186 19.568 0.127 702 H GLN1006 H GLN1006 4.239 18.946 3.000 703 HA GLN1006 HA GLN1006 3.283 21.449 4.019 704 1HB GLN1006 HB1 GLN1006 2.715 20.235 5.823 705 2HB GLN1006 HB2 GLN1006 3.094 18.857 4.807 706 1HG GLN1006 HG1 GLN1006 4.385 18.227 6.506 707 2HG GLN1006 HG2 GLN1006 5.527 19.415 5.877 708 1HE2 GLN1006 2HE2 GLN1006 6.390 19.789 7.933 709 2HE2 GLN1006 1HE2 GLN1006 5.533 20.695 9.136 710 H GLN1007 H GLN1007 6.322 20.155 3.269 711 HA GLN1007 HA GLN1007 7.876 21.648 5.165 712 1HB GLN1007 HB1 GLN1007 8.333 19.455 3.594 713 2HB GLN1007 HB2 GLN1007 9.131 20.716 2.675 714 1HG GLN1007 HG1 GLN1007 10.676 19.575 4.144 715 2HG GLN1007 HG2 GLN1007 10.500 21.267 4.623 716 1HE2 GLN1007 2HE2 GLN1007 8.050 18.857 5.270 717 2HE2 GLN1007 1HE2 GLN1007 8.293 18.787 6.989 718 H TYR1008 H TYR1008 6.997 21.892 1.757 719 HA TYR1008 HA TYR1008 8.269 24.545 1.625 720 1HB TYR1008 HB1 TYR1008 7.211 22.874 -0.644 721 2HB TYR1008 HB2 TYR1008 8.129 24.361 -0.773 722 HD1 TYR1008 HD1 TYR1008 8.554 21.716 -2.050 723 HD2 TYR1008 HD2 TYR1008 10.245 23.436 1.428 724 HE1 TYR1008 HE1 TYR1008 10.561 20.412 -2.452 725 HE2 TYR1008 HE2 TYR1008 12.300 22.108 1.088 726 HH TYR1008 HH TYR1008 12.949 20.481 -1.841 727 H VAL1009 H VAL1009 5.484 23.749 2.703 728 HA VAL1009 HA VAL1009 3.504 24.811 1.119 729 HB VAL1009 HB VAL1009 2.898 23.799 3.190 730 1HG1 VAL1009 1HG1 VAL1009 3.394 24.799 5.377 731 2HG1 VAL1009 2HG1 VAL1009 4.862 24.353 4.510 732 3HG1 VAL1009 3HG1 VAL1009 4.361 26.043 4.585 733 1HG2 VAL1009 1HG2 VAL1009 2.218 26.740 3.292 734 2HG2 VAL1009 2HG2 VAL1009 1.355 25.499 2.385 735 3HG2 VAL1009 3HG2 VAL1009 1.363 25.458 4.147 736 H MET1010 H MET1010 4.385 26.446 -0.151 737 HA MET1010 HA MET1010 4.242 29.085 1.076 738 1HB MET1010 HB1 MET1010 6.601 28.424 1.340 739 2HB MET1010 HB2 MET1010 6.715 28.154 -0.394 740 1HG MET1010 HG1 MET1010 7.700 30.276 0.207 741 2HG MET1010 HG2 MET1010 6.268 30.524 -0.791 742 1HE MET1010 HE1 MET1010 6.193 33.075 -0.096 743 2HE MET1010 HE2 MET1010 6.204 33.634 1.577 744 3HE MET1010 HE3 MET1010 7.631 32.849 0.901 745 H THR1011 H THR1011 2.654 29.812 -0.151 746 HA THR1011 HA THR1011 1.478 30.524 -1.958 747 HB THR1011 HB THR1011 2.820 32.058 -3.421 748 HG1 THR1011 HG1 THR1011 5.054 32.353 -2.352 749 1HG2 THR1011 1HG2 THR1011 3.359 33.622 -1.600 750 2HG2 THR1011 2HG2 THR1011 1.795 32.845 -1.356 751 3HG2 THR1011 3HG2 THR1011 3.201 32.308 -0.435 752 H SER1012 H SER1012 3.992 30.566 -4.242 753 HA SER1012 HA SER1012 2.387 28.803 -5.916 754 1HB SER1012 HB1 SER1012 4.751 30.492 -6.734 755 2HB SER1012 HB2 SER1012 3.477 29.843 -7.766 756 HG SER1012 HG SER1012 2.375 31.576 -7.360 757 H LEU1013 H LEU1013 5.389 28.808 -4.239 758 HA LEU1013 HA LEU1013 6.769 26.952 -5.916 759 1HB LEU1013 HB1 LEU1013 7.227 27.789 -3.053 760 2HB LEU1013 HB2 LEU1013 8.271 26.673 -3.909 761 HG LEU1013 HG LEU1013 8.638 28.548 -5.604 762 1HD1 LEU1013 1HD1 LEU1013 7.476 30.183 -3.357 763 2HD1 LEU1013 2HD1 LEU1013 8.280 30.818 -4.793 764 3HD1 LEU1013 3HD1 LEU1013 6.753 29.948 -4.947 765 1HD2 LEU1013 1HD2 LEU1013 10.341 29.610 -4.205 766 2HD2 LEU1013 2HD2 LEU1013 9.604 28.892 -2.772 767 3HD2 LEU1013 3HD2 LEU1013 10.326 27.859 -4.004 768 H GLN1014 H GLN1014 4.565 26.746 -3.258 769 HA GLN1014 HA GLN1014 5.002 24.132 -2.394 770 1HB GLN1014 HB1 GLN1014 3.463 25.973 -1.429 771 2HB GLN1014 HB2 GLN1014 2.269 25.383 -2.572 772 1HG GLN1014 HG1 GLN1014 3.568 23.555 -0.591 773 2HG GLN1014 HG2 GLN1014 2.161 24.530 -0.175 774 1HE2 GLN1014 2HE2 GLN1014 3.358 21.859 -2.002 775 2HE2 GLN1014 1HE2 GLN1014 1.823 21.285 -2.553 776 H GLN1015 H GLN1015 2.875 25.366 -4.955 777 HA GLN1015 HA GLN1015 1.458 23.062 -5.479 778 1HB GLN1015 HB1 GLN1015 1.891 25.586 -6.783 779 2HB GLN1015 HB2 GLN1015 1.759 24.289 -7.955 780 1HG GLN1015 HG1 GLN1015 -0.410 25.106 -7.697 781 2HG GLN1015 HG2 GLN1015 -0.365 23.604 -6.784 782 1HE2 GLN1015 2HE2 GLN1015 1.027 24.765 -4.505 783 2HE2 GLN1015 1HE2 GLN1015 -0.119 25.771 -3.687 784 H GLU1016 H GLU1016 4.625 23.946 -6.886 785 HA GLU1016 HA GLU1016 5.057 21.907 -8.657 786 1HB GLU1016 HB1 GLU1016 6.925 23.245 -8.419 787 2HB GLU1016 HB2 GLU1016 6.768 23.333 -6.671 788 1HG GLU1016 HG1 GLU1016 8.642 22.054 -6.796 789 2HG GLU1016 HG2 GLU1016 7.449 20.778 -6.823 790 H TYR1017 H TYR1017 5.792 21.820 -5.301 791 HA TYR1017 HA TYR1017 6.358 19.064 -5.185 792 1HB TYR1017 HB1 TYR1017 5.877 21.096 -2.984 793 2HB TYR1017 HB2 TYR1017 6.603 19.482 -2.762 794 HD1 TYR1017 HD1 TYR1017 8.689 18.907 -4.080 795 HD2 TYR1017 HD2 TYR1017 7.206 22.885 -3.775 796 HE1 TYR1017 HE1 TYR1017 10.857 19.763 -4.856 797 HE2 TYR1017 HE2 TYR1017 9.378 23.757 -4.545 798 HH TYR1017 HH TYR1017 11.736 23.041 -4.609 799 H LYS1018 H LYS1018 3.447 20.904 -4.379 800 HA LYS1018 HA LYS1018 1.811 18.796 -3.704 801 1HB LYS1018 HB1 LYS1018 1.165 21.207 -3.813 802 2HB LYS1018 HB2 LYS1018 1.073 21.061 -5.561 803 1HG LYS1018 HG1 LYS1018 -0.739 19.494 -5.386 804 2HG LYS1018 HG2 LYS1018 -0.584 19.460 -3.627 805 1HD LYS1018 HD1 LYS1018 -1.076 21.904 -3.608 806 2HD LYS1018 HD2 LYS1018 -1.401 21.804 -5.340 807 1HE LYS1018 HE1 LYS1018 -3.245 20.326 -4.976 808 2HE LYS1018 HE2 LYS1018 -2.835 20.147 -3.271 809 1HZ LYS1018 HZ1 LYS1018 -3.909 22.559 -4.628 810 2HZ LYS1018 HZ2 LYS1018 -4.631 21.648 -3.396 811 3HZ LYS1018 HZ3 LYS1018 -3.262 22.590 -3.058 812 H LYS1019 H LYS1019 2.842 19.794 -6.985 813 HA LYS1019 HA LYS1019 1.016 17.951 -8.261 814 1HB LYS1019 HB1 LYS1019 3.216 19.741 -9.267 815 2HB LYS1019 HB2 LYS1019 2.388 18.618 -10.333 816 1HG LYS1019 HG1 LYS1019 0.998 20.754 -8.735 817 2HG LYS1019 HG2 LYS1019 1.528 20.949 -10.407 818 1HD LYS1019 HD1 LYS1019 0.149 18.828 -10.869 819 2HD LYS1019 HD2 LYS1019 -0.594 19.141 -9.299 820 1HE LYS1019 HE1 LYS1019 -1.972 20.127 -10.995 821 2HE LYS1019 HE2 LYS1019 -1.176 21.423 -10.104 822 1HZ LYS1019 HZ1 LYS1019 0.440 21.620 -11.888 823 2HZ LYS1019 HZ2 LYS1019 -0.302 20.357 -12.739 824 3HZ LYS1019 HZ3 LYS1019 -1.132 21.815 -12.496 825 H GLN1020 H GLN1020 4.571 18.189 -8.279 826 HA GLN1020 HA GLN1020 5.038 15.808 -9.620 827 1HB GLN1020 HB1 GLN1020 6.754 17.520 -9.303 828 2HB GLN1020 HB2 GLN1020 6.803 17.168 -7.581 829 1HG GLN1020 HG1 GLN1020 7.584 14.908 -8.064 830 2HG GLN1020 HG2 GLN1020 7.538 15.263 -9.789 831 1HE2 GLN1020 2HE2 GLN1020 8.542 17.633 -7.452 832 2HE2 GLN1020 1HE2 GLN1020 10.224 17.627 -7.867 833 H MET1021 H MET1021 4.884 16.401 -6.132 834 HA MET1021 HA MET1021 5.523 13.687 -5.513 835 1HB MET1021 HB1 MET1021 4.522 15.956 -3.808 836 2HB MET1021 HB2 MET1021 4.874 14.355 -3.173 837 1HG MET1021 HG1 MET1021 6.863 16.121 -4.578 838 2HG MET1021 HG2 MET1021 6.699 15.975 -2.831 839 1HE MET1021 HE1 MET1021 8.278 14.564 -6.039 840 2HE MET1021 HE2 MET1021 8.518 12.852 -5.689 841 3HE MET1021 HE3 MET1021 6.891 13.481 -5.954 842 H LEU1022 H LEU1022 2.607 15.314 -6.354 843 HA LEU1022 HA LEU1022 0.833 13.434 -5.119 844 1HB LEU1022 HB1 LEU1022 0.117 15.687 -5.938 845 2HB LEU1022 HB2 LEU1022 0.331 15.113 -7.580 846 HG LEU1022 HG LEU1022 -1.425 13.428 -7.230 847 1HD1 LEU1022 1HD1 LEU1022 -1.689 14.702 -4.509 848 2HD1 LEU1022 2HD1 LEU1022 -2.818 13.538 -5.202 849 3HD1 LEU1022 3HD1 LEU1022 -1.156 13.056 -4.851 850 1HD2 LEU1022 1HD2 LEU1022 -3.328 14.978 -7.093 851 2HD2 LEU1022 2HD2 LEU1022 -2.242 16.246 -6.527 852 3HD2 LEU1022 3HD2 LEU1022 -2.052 15.583 -8.149 853 H THR1023 H THR1023 2.615 13.612 -8.126 854 HA THR1023 HA THR1023 1.505 11.342 -9.378 855 HB THR1023 HB THR1023 4.360 12.324 -9.608 856 HG1 THR1023 HG1 THR1023 3.539 14.040 -10.520 857 1HG2 THR1023 1HG2 THR1023 3.967 10.160 -10.667 858 2HG2 THR1023 2HG2 THR1023 2.581 10.817 -11.537 859 3HG2 THR1023 3HG2 THR1023 4.206 11.406 -11.892 860 H ALA1024 H ALA1024 4.154 11.784 -7.082 861 HA ALA1024 HA ALA1024 4.901 9.061 -6.882 862 1HB ALA1024 HB1 ALA1024 6.027 9.703 -4.820 863 2HB ALA1024 HB2 ALA1024 6.334 10.890 -6.088 864 3HB ALA1024 HB3 ALA1024 5.168 11.243 -4.812 865 H ALA1025 H ALA1025 2.522 11.053 -5.226 866 HA ALA1025 HA ALA1025 1.707 9.189 -3.282 867 1HB ALA1025 HB1 ALA1025 0.113 11.383 -4.606 868 2HB ALA1025 HB2 ALA1025 -0.324 10.548 -3.114 869 3HB ALA1025 HB3 ALA1025 1.124 11.552 -3.170 870 H HIS1026 H HIS1026 0.743 9.701 -6.618 871 HA HIS1026 HA HIS1026 -1.326 7.763 -6.654 872 1HB HIS1026 HB1 HIS1026 -1.164 9.455 -8.404 873 2HB HIS1026 HB2 HIS1026 0.407 8.838 -8.897 874 HD1 HIS1026 HD1 HIS1026 0.372 7.266 -10.798 875 HD2 HIS1026 HD2 HIS1026 -3.295 7.402 -8.835 876 HE1 HIS1026 HE1 HIS1026 -1.184 5.825 -12.158 877 HE2 HIS1026 HE2 HIS1026 -3.353 5.802 -10.871 878 H ALA1027 H ALA1027 2.149 7.632 -6.950 879 HA ALA1027 HA ALA1027 2.410 5.086 -8.097 880 1HB ALA1027 HB1 ALA1027 4.690 5.104 -7.252 881 2HB ALA1027 HB2 ALA1027 4.267 6.672 -7.942 882 3HB ALA1027 HB3 ALA1027 4.301 6.457 -6.191 883 H LEU1028 H LEU1028 2.560 6.021 -4.629 884 HA LEU1028 HA LEU1028 2.769 3.425 -3.642 885 1HB LEU1028 HB1 LEU1028 3.200 4.970 -2.007 886 2HB LEU1028 HB2 LEU1028 1.855 6.000 -2.425 887 HG LEU1028 HG LEU1028 1.251 3.314 -1.250 888 1HD1 LEU1028 1HD1 LEU1028 3.063 4.177 0.152 889 2HD1 LEU1028 2HD1 LEU1028 2.172 5.685 0.368 890 3HD1 LEU1028 3HD1 LEU1028 1.521 4.174 1.007 891 1HD2 LEU1028 1HD2 LEU1028 -0.577 4.774 -1.945 892 2HD2 LEU1028 2HD2 LEU1028 -0.570 4.565 -0.192 893 3HD2 LEU1028 3HD2 LEU1028 0.040 6.059 -0.905 894 H ALA1029 H ALA1029 -0.234 5.336 -4.032 895 HA ALA1029 HA ALA1029 -2.054 3.425 -3.398 896 1HB ALA1029 HB1 ALA1029 -2.624 5.731 -3.993 897 2HB ALA1029 HB2 ALA1029 -2.312 5.369 -5.691 898 3HB ALA1029 HB3 ALA1029 -3.638 4.569 -4.849 899 H VAL1030 H VAL1030 -0.174 3.568 -6.358 900 HA VAL1030 HA VAL1030 -1.737 1.462 -7.583 901 HB VAL1030 HB VAL1030 0.742 2.882 -8.559 902 1HG1 VAL1030 1HG1 VAL1030 -0.959 0.827 -9.965 903 2HG1 VAL1030 2HG1 VAL1030 0.324 1.776 -10.714 904 3HG1 VAL1030 3HG1 VAL1030 0.711 0.615 -9.441 905 1HG2 VAL1030 1HG2 VAL1030 -1.264 4.264 -8.541 906 2HG2 VAL1030 2HG2 VAL1030 -0.792 3.873 -10.194 907 3HG2 VAL1030 3HG2 VAL1030 -2.139 3.022 -9.437 908 H ASP1031 H ASP1031 1.444 1.876 -6.163 909 HA ASP1031 HA ASP1031 2.186 -0.816 -6.582 910 1HB ASP1031 HB1 ASP1031 3.306 1.298 -4.760 911 2HB ASP1031 HB2 ASP1031 4.020 -0.306 -4.940 912 H ALA1032 H ALA1032 0.582 0.757 -3.730 913 HA ALA1032 HA ALA1032 0.158 -1.472 -2.193 914 1HB ALA1032 HB1 ALA1032 -2.044 -0.547 -1.683 915 2HB ALA1032 HB2 ALA1032 -0.817 0.720 -1.720 916 3HB ALA1032 HB3 ALA1032 -1.925 0.524 -3.079 917 H LYS1033 H LYS1033 -1.927 -0.517 -4.938 918 HA LYS1033 HA LYS1033 -3.262 -2.849 -5.358 919 1HB LYS1033 HB1 LYS1033 -3.745 -0.807 -6.581 920 2HB LYS1033 HB2 LYS1033 -2.234 -0.946 -7.465 921 1HG LYS1033 HG1 LYS1033 -4.113 -3.225 -7.663 922 2HG LYS1033 HG2 LYS1033 -4.580 -1.721 -8.460 923 1HD LYS1033 HD1 LYS1033 -1.946 -3.137 -8.866 924 2HD LYS1033 HD2 LYS1033 -3.339 -3.282 -9.941 925 1HE LYS1033 HE1 LYS1033 -2.019 -0.662 -9.260 926 2HE LYS1033 HE2 LYS1033 -1.577 -1.637 -10.659 927 1HZ LYS1033 HZ1 LYS1033 -3.707 -1.346 -11.598 928 2HZ LYS1033 HZ2 LYS1033 -4.345 -0.673 -10.178 929 3HZ LYS1033 HZ3 LYS1033 -3.207 0.191 -11.094 930 H ASN1034 H ASN1034 0.142 -2.299 -6.188 931 HA ASN1034 HA ASN1034 0.347 -4.608 -7.849 932 1HB ASN1034 HB1 ASN1034 2.052 -2.783 -7.813 933 2HB ASN1034 HB2 ASN1034 2.540 -3.318 -6.207 934 1HD2 ASN1034 2HD2 ASN1034 4.624 -3.775 -6.917 935 2HD2 ASN1034 1HD2 ASN1034 4.986 -5.147 -7.899 936 H LEU1035 H LEU1035 1.106 -4.007 -4.436 937 HA LEU1035 HA LEU1035 1.598 -6.721 -3.751 938 1HB LEU1035 HB1 LEU1035 2.154 -4.708 -2.322 939 2HB LEU1035 HB2 LEU1035 0.450 -4.593 -1.914 940 HG LEU1035 HG LEU1035 0.769 -7.091 -1.159 941 1HD1 LEU1035 1HD1 LEU1035 3.033 -7.336 -1.985 942 2HD1 LEU1035 2HD1 LEU1035 3.570 -6.006 -0.958 943 3HD1 LEU1035 3HD1 LEU1035 2.989 -7.505 -0.231 944 1HD2 LEU1035 1HD2 LEU1035 0.144 -5.230 0.303 945 2HD2 LEU1035 2HD2 LEU1035 1.263 -6.341 1.092 946 3HD2 LEU1035 3HD2 LEU1035 1.844 -4.797 0.468 947 H LEU1036 H LEU1036 -1.357 -4.821 -3.973 948 HA LEU1036 HA LEU1036 -3.304 -6.433 -2.919 949 1HB LEU1036 HB1 LEU1036 -3.709 -4.231 -3.920 950 2HB LEU1036 HB2 LEU1036 -3.347 -4.862 -5.505 951 HG LEU1036 HG LEU1036 -5.775 -4.401 -4.968 952 1HD1 LEU1036 1HD1 LEU1036 -4.984 -7.139 -5.928 953 2HD1 LEU1036 2HD1 LEU1036 -6.583 -6.421 -6.123 954 3HD1 LEU1036 3HD1 LEU1036 -5.182 -5.683 -6.903 955 1HD2 LEU1036 1HD2 LEU1036 -7.001 -6.107 -3.762 956 2HD2 LEU1036 2HD2 LEU1036 -5.494 -6.939 -3.379 957 3HD2 LEU1036 3HD2 LEU1036 -5.806 -5.332 -2.722 958 H ASP1037 H ASP1037 -1.409 -6.875 -5.735 959 HA ASP1037 HA ASP1037 -2.903 -9.242 -6.596 960 1HB ASP1037 HB1 ASP1037 -2.147 -7.584 -8.325 961 2HB ASP1037 HB2 ASP1037 -0.481 -7.967 -7.902 962 H VAL1038 H VAL1038 0.150 -8.151 -5.315 963 HA VAL1038 HA VAL1038 1.690 -10.463 -5.335 964 HB VAL1038 HB VAL1038 1.547 -8.181 -3.383 965 1HG1 VAL1038 1HG1 VAL1038 3.571 -10.407 -3.425 966 2HG1 VAL1038 2HG1 VAL1038 3.683 -8.938 -2.458 967 3HG1 VAL1038 3HG1 VAL1038 2.385 -10.093 -2.158 968 1HG2 VAL1038 1HG2 VAL1038 3.537 -8.899 -5.525 969 2HG2 VAL1038 2HG2 VAL1038 2.334 -7.612 -5.605 970 3HG2 VAL1038 3HG2 VAL1038 3.655 -7.515 -4.440 971 H ILE1039 H ILE1039 -0.148 -9.233 -2.578 972 HA ILE1039 HA ILE1039 0.083 -11.697 -1.169 973 HB ILE1039 HB ILE1039 -1.570 -10.543 0.458 974 1HG1 ILE1039 1HG1 ILE1039 -1.405 -8.074 0.413 975 2HG1 ILE1039 2HG1 ILE1039 -0.614 -8.169 -1.155 976 1HG2 ILE1039 1HG2 ILE1039 0.758 -10.964 0.919 977 2HG2 ILE1039 2HG2 ILE1039 1.231 -9.543 -0.013 978 3HG2 ILE1039 3HG2 ILE1039 0.317 -9.353 1.484 979 1HD1 ILE1039 1HD1 ILE1039 -3.417 -9.045 -0.537 980 2HD1 ILE1039 2HD1 ILE1039 -2.941 -7.571 -1.378 981 3HD1 ILE1039 3HD1 ILE1039 -2.625 -9.143 -2.110 982 H ASP1040 H ASP1040 -2.793 -10.108 -2.787 983 HA ASP1040 HA ASP1040 -4.420 -12.246 -2.612 984 1HB ASP1040 HB1 ASP1040 -5.039 -10.304 -3.954 985 2HB ASP1040 HB2 ASP1040 -3.856 -10.747 -5.183 986 H GLN1041 H GLN1041 -1.422 -12.114 -4.434 987 HA GLN1041 HA GLN1041 -1.858 -14.783 -5.463 988 1HB GLN1041 HB1 GLN1041 0.619 -13.064 -5.410 989 2HB GLN1041 HB2 GLN1041 0.639 -14.740 -5.937 990 1HG GLN1041 HG1 GLN1041 -1.191 -14.031 -7.591 991 2HG GLN1041 HG2 GLN1041 -0.690 -12.381 -7.218 992 1HE2 GLN1041 2HE2 GLN1041 0.126 -11.909 -9.205 993 2HE2 GLN1041 1HE2 GLN1041 1.553 -12.662 -9.847 994 H ALA1042 H ALA1042 -0.370 -13.216 -2.705 995 HA ALA1042 HA ALA1042 1.045 -15.299 -1.588 996 1HB ALA1042 HB1 ALA1042 1.063 -13.026 -0.694 997 2HB ALA1042 HB2 ALA1042 -0.587 -13.250 -0.112 998 3HB ALA1042 HB3 ALA1042 0.724 -14.218 0.562 999 H ARG1043 H ARG1043 -2.294 -14.355 -0.844 1000 HA ARG1043 HA ARG1043 -3.205 -16.478 0.547 1001 1HB ARG1043 HB1 ARG1043 -4.964 -15.108 0.347 1002 2HB ARG1043 HB2 ARG1043 -4.330 -14.408 -1.130 1003 1HG ARG1043 HG1 ARG1043 -5.674 -17.049 -1.295 1004 2HG ARG1043 HG2 ARG1043 -6.664 -15.614 -1.044 1005 1HD ARG1043 HD1 ARG1043 -5.707 -14.603 -3.042 1006 2HD ARG1043 HD2 ARG1043 -4.693 -16.024 -3.280 1007 HE ARG1043 HE ARG1043 -7.480 -16.675 -3.187 1008 1HH1 ARG1043 2HH1 ARG1043 -4.979 -15.337 -5.236 1009 2HH1 ARG1043 1HH1 ARG1043 -5.714 -15.881 -6.711 1010 1HH2 ARG1043 2HH2 ARG1043 -8.493 -17.348 -5.138 1011 2HH2 ARG1043 1HH2 ARG1043 -7.692 -17.062 -6.659 1012 H LEU1044 H LEU1044 -2.820 -16.399 -2.998 1013 HA LEU1044 HA LEU1044 -3.720 -19.127 -3.274 1014 1HB LEU1044 HB1 LEU1044 -4.078 -17.511 -5.061 1015 2HB LEU1044 HB2 LEU1044 -2.354 -17.298 -5.235 1016 HG LEU1044 HG LEU1044 -2.164 -19.674 -5.937 1017 1HD1 LEU1044 1HD1 LEU1044 -4.139 -20.551 -4.836 1018 2HD1 LEU1044 2HD1 LEU1044 -5.176 -19.573 -5.874 1019 3HD1 LEU1044 3HD1 LEU1044 -4.205 -20.873 -6.569 1020 1HD2 LEU1044 1HD2 LEU1044 -3.151 -19.352 -8.162 1021 2HD2 LEU1044 2HD2 LEU1044 -4.050 -17.963 -7.550 1022 3HD2 LEU1044 3HD2 LEU1044 -2.289 -17.918 -7.605 1023 H LYS1045 H LYS1045 -0.649 -17.501 -2.901 1024 HA LYS1045 HA LYS1045 1.134 -19.535 -3.647 1025 1HB LYS1045 HB1 LYS1045 1.421 -17.530 -1.394 1026 2HB LYS1045 HB2 LYS1045 2.728 -18.471 -2.074 1027 1HG LYS1045 HG1 LYS1045 1.175 -16.281 -3.398 1028 2HG LYS1045 HG2 LYS1045 2.859 -16.253 -2.883 1029 1HD LYS1045 HD1 LYS1045 3.401 -17.952 -4.560 1030 2HD LYS1045 HD2 LYS1045 1.707 -18.002 -5.063 1031 1HE LYS1045 HE1 LYS1045 1.869 -15.570 -5.596 1032 2HE LYS1045 HE2 LYS1045 3.595 -15.659 -5.257 1033 1HZ LYS1045 HZ1 LYS1045 3.008 -15.826 -7.637 1034 2HZ LYS1045 HZ2 LYS1045 3.900 -17.151 -7.074 1035 3HZ LYS1045 HZ3 LYS1045 2.225 -17.294 -7.323 1036 H MET1046 H MET1046 -0.468 -18.776 -0.633 1037 HA MET1046 HA MET1046 0.664 -20.812 0.948 1038 1HB MET1046 HB1 MET1046 -0.680 -18.749 1.652 1039 2HB MET1046 HB2 MET1046 -2.106 -19.694 1.266 1040 1HG MET1046 HG1 MET1046 -1.417 -21.380 2.907 1041 2HG MET1046 HG2 MET1046 -0.011 -20.391 3.302 1042 1HE MET1046 HE1 MET1046 -2.106 -19.834 6.524 1043 2HE MET1046 HE2 MET1046 -1.834 -21.331 5.632 1044 3HE MET1046 HE3 MET1046 -0.510 -20.187 5.860 1045 H ILE1047 H ILE1047 -2.158 -20.674 -1.146 1046 HA ILE1047 HA ILE1047 -3.156 -23.260 -0.686 1047 HB ILE1047 HB ILE1047 -3.185 -21.730 -3.295 1048 1HG1 ILE1047 1HG1 ILE1047 -4.166 -20.361 -1.582 1049 2HG1 ILE1047 2HG1 ILE1047 -5.467 -21.032 -2.559 1050 1HG2 ILE1047 1HG2 ILE1047 -4.947 -23.969 -2.309 1051 2HG2 ILE1047 2HG2 ILE1047 -5.171 -23.072 -3.811 1052 3HG2 ILE1047 3HG2 ILE1047 -3.738 -24.075 -3.588 1053 1HD1 ILE1047 1HD1 ILE1047 -5.895 -22.704 -0.842 1054 2HD1 ILE1047 2HD1 ILE1047 -4.585 -22.039 0.135 1055 3HD1 ILE1047 3HD1 ILE1047 -6.018 -21.066 -0.200 1056 H SER1048 H SER1048 -0.894 -21.990 -3.079 1057 HA SER1048 HA SER1048 -0.239 -24.250 -4.505 1058 1HB SER1048 HB1 SER1048 0.498 -22.032 -5.170 1059 2HB SER1048 HB2 SER1048 1.505 -21.892 -3.729 1060 HG SER1048 HG SER1048 3.011 -22.958 -4.712 1061 H GLN1049 H GLN1049 1.088 -23.148 -1.420 1062 HA GLN1049 HA GLN1049 3.218 -24.969 -1.289 1063 1HB GLN1049 HB1 GLN1049 3.065 -22.984 0.146 1064 2HB GLN1049 HB2 GLN1049 1.697 -23.699 0.991 1065 1HG GLN1049 HG1 GLN1049 3.821 -23.890 2.227 1066 2HG GLN1049 HG2 GLN1049 3.079 -25.448 1.872 1067 1HE2 GLN1049 2HE2 GLN1049 5.034 -26.524 2.094 1068 2HE2 GLN1049 1HE2 GLN1049 6.278 -26.433 0.893 1069 H SER1050 H SER1050 0.220 -25.154 0.669 1070 HA SER1050 HA SER1050 -0.091 -27.954 0.064 1071 1HB SER1050 HB1 SER1050 0.690 -27.142 2.878 1072 2HB SER1050 HB2 SER1050 0.161 -28.750 2.391 1073 HG SER1050 HG SER1050 2.134 -28.076 0.776 1074 H ARG1051 H ARG1051 -1.514 -25.125 0.538 1075 HA ARG1051 HA ARG1051 -3.410 -24.271 1.481 1076 1HB ARG1051 HB1 ARG1051 -4.489 -25.771 -0.097 1077 2HB ARG1051 HB2 ARG1051 -4.319 -27.125 1.009 1078 1HG ARG1051 HG1 ARG1051 -6.588 -26.406 1.068 1079 2HG ARG1051 HG2 ARG1051 -5.838 -25.934 2.593 1080 1HD ARG1051 HD1 ARG1051 -5.465 -23.664 1.575 1081 2HD ARG1051 HD2 ARG1051 -6.474 -24.187 0.228 1082 HE ARG1051 HE ARG1051 -7.519 -24.229 2.989 1083 1HH1 ARG1051 2HH1 ARG1051 -7.746 -23.137 -0.342 1084 2HH1 ARG1051 1HH1 ARG1051 -9.275 -22.346 -0.107 1085 1HH2 ARG1051 2HH2 ARG1051 -9.533 -23.216 3.285 1086 2HH2 ARG1051 1HH2 ARG1051 -10.285 -22.379 1.961 1087 HA PRO1052 HA PRO1052 -2.412 -25.984 5.680 1088 1HB PRO1052 HB1 PRO1052 -1.371 -23.395 6.396 1089 2HB PRO1052 HB2 PRO1052 -0.492 -24.913 6.214 1090 1HG PRO1052 HG1 PRO1052 -0.182 -22.757 4.549 1091 2HG PRO1052 HG2 PRO1052 0.143 -24.436 4.077 1092 1HD PRO1052 HD1 PRO1052 -2.282 -22.753 3.545 1093 2HD PRO1052 HD2 PRO1052 -1.420 -23.867 2.458 1094 H HIS1053 H HIS1053 -4.944 -25.006 4.788 1095 HA HIS1053 HA HIS1053 -5.981 -24.060 7.280 1096 1HB HIS1053 HB1 HIS1053 -5.196 -21.947 6.080 1097 2HB HIS1053 HB2 HIS1053 -6.451 -22.271 4.889 1098 HD1 HIS1053 HD1 HIS1053 -5.870 -20.776 8.186 1099 HD2 HIS1053 HD2 HIS1053 -9.139 -22.115 5.984 1100 HE1 HIS1053 HE1 HIS1053 -7.901 -19.777 9.297 1101 HE2 HIS1053 HE2 HIS1053 -9.844 -20.475 7.852 Start of MODEL 18 1 1H ARG 920 H ARG 920 -7.792 -19.583 -3.049 2 HA ARG 920 HA ARG 920 -8.327 -18.896 -0.394 3 1HB ARG 920 HB1 ARG 920 -6.943 -17.033 -0.645 4 2HB ARG 920 HB2 ARG 920 -6.281 -18.239 -1.741 5 1HG ARG 920 HG1 ARG 920 -8.201 -16.133 -2.665 6 2HG ARG 920 HG2 ARG 920 -6.459 -15.859 -2.583 7 1HD ARG 920 HD1 ARG 920 -6.032 -17.638 -4.100 8 2HD ARG 920 HD2 ARG 920 -7.707 -18.168 -4.045 9 HE ARG 920 HE ARG 920 -8.154 -16.723 -5.735 10 1HH1 ARG 920 2HH1 ARG 920 -5.364 -15.438 -4.026 11 2HH1 ARG 920 1HH1 ARG 920 -5.202 -14.075 -5.092 12 1HH2 ARG 920 2HH2 ARG 920 -7.880 -14.940 -7.138 13 2HH2 ARG 920 1HH2 ARG 920 -6.602 -13.803 -6.835 14 H SER 921 H SER 921 -9.168 -16.845 0.383 15 HA SER 921 HA SER 921 -11.561 -16.013 -1.111 16 1HB SER 921 HB1 SER 921 -12.359 -15.334 1.206 17 2HB SER 921 HB2 SER 921 -12.170 -17.070 0.940 18 HG SER 921 HG SER 921 -10.983 -15.530 2.784 19 H ASN 922 H ASN 922 -8.711 -15.037 -1.191 20 HA ASN 922 HA ASN 922 -7.420 -13.157 -1.055 21 1HB ASN 922 HB1 ASN 922 -9.625 -11.253 -1.182 22 2HB ASN 922 HB2 ASN 922 -8.230 -11.421 -2.236 23 1HD2 ASN 922 2HD2 ASN 922 -8.271 -12.968 -3.897 24 2HD2 ASN 922 1HD2 ASN 922 -9.780 -13.473 -4.599 25 H ASP 923 H ASP 923 -7.634 -14.049 1.219 26 HA ASP 923 HA ASP 923 -9.100 -13.028 3.273 27 1HB ASP 923 HB1 ASP 923 -7.552 -14.986 3.315 28 2HB ASP 923 HB2 ASP 923 -6.196 -13.873 3.400 29 H LYS 924 H LYS 924 -7.760 -11.943 5.196 30 HA LYS 924 HA LYS 924 -7.832 -9.270 5.127 31 1HB LYS 924 HB1 LYS 924 -7.032 -11.063 6.948 32 2HB LYS 924 HB2 LYS 924 -5.462 -10.399 6.530 33 1HG LYS 924 HG1 LYS 924 -7.796 -8.737 7.450 34 2HG LYS 924 HG2 LYS 924 -6.546 -9.371 8.521 35 1HD LYS 924 HD1 LYS 924 -4.862 -8.178 7.106 36 2HD LYS 924 HD2 LYS 924 -6.208 -7.420 6.253 37 1HE LYS 924 HE1 LYS 924 -5.368 -5.927 7.950 38 2HE LYS 924 HE2 LYS 924 -6.986 -6.477 8.389 39 1HZ LYS 924 HZ1 LYS 924 -6.145 -7.886 10.034 40 2HZ LYS 924 HZ2 LYS 924 -4.557 -7.816 9.433 41 3HZ LYS 924 HZ3 LYS 924 -5.234 -6.464 10.203 42 H VAL 925 H VAL 925 -5.368 -11.178 3.621 43 HA VAL 925 HA VAL 925 -3.384 -9.295 3.153 44 HB VAL 925 HB VAL 925 -2.907 -10.706 1.074 45 1HG1 VAL 925 1HG1 VAL 925 -2.031 -12.554 2.423 46 2HG1 VAL 925 2HG1 VAL 925 -1.744 -10.996 3.201 47 3HG1 VAL 925 3HG1 VAL 925 -3.041 -12.045 3.777 48 1HG2 VAL 925 1HG2 VAL 925 -4.012 -12.905 1.019 49 2HG2 VAL 925 2HG2 VAL 925 -5.105 -12.374 2.299 50 3HG2 VAL 925 3HG2 VAL 925 -5.146 -11.586 0.723 51 H TYR 926 H TYR 926 -6.236 -10.119 1.054 52 HA TYR 926 HA TYR 926 -5.417 -8.077 -0.860 53 1HB TYR 926 HB1 TYR 926 -6.558 -10.083 -1.636 54 2HB TYR 926 HB2 TYR 926 -7.929 -9.766 -0.583 55 HD1 TYR 926 HD1 TYR 926 -6.050 -8.308 -3.449 56 HD2 TYR 926 HD2 TYR 926 -9.760 -8.618 -1.395 57 HE1 TYR 926 HE1 TYR 926 -7.151 -7.072 -5.265 58 HE2 TYR 926 HE2 TYR 926 -10.875 -7.378 -3.206 59 HH TYR 926 HH TYR 926 -9.369 -6.794 -6.214 60 H GLU 927 H GLU 927 -7.196 -8.290 2.021 61 HA GLU 927 HA GLU 927 -9.041 -6.160 1.524 62 1HB GLU 927 HB1 GLU 927 -8.351 -7.891 3.877 63 2HB GLU 927 HB2 GLU 927 -9.438 -6.531 4.062 64 1HG GLU 927 HG1 GLU 927 -10.848 -7.521 2.252 65 2HG GLU 927 HG2 GLU 927 -9.797 -8.937 2.305 66 H ASN 928 H ASN 928 -6.254 -6.478 3.783 67 HA ASN 928 HA ASN 928 -6.523 -3.742 4.579 68 1HB ASN 928 HB1 ASN 928 -5.406 -5.685 5.878 69 2HB ASN 928 HB2 ASN 928 -3.986 -5.323 4.906 70 1HD2 ASN 928 2HD2 ASN 928 -4.354 -2.454 4.850 71 2HD2 ASN 928 1HD2 ASN 928 -4.009 -1.881 6.449 72 H VAL 929 H VAL 929 -4.594 -5.460 2.201 73 HA VAL 929 HA VAL 929 -2.966 -3.316 1.456 74 HB VAL 929 HB VAL 929 -2.672 -5.704 0.749 75 1HG1 VAL 929 1HG1 VAL 929 -4.738 -4.954 -1.301 76 2HG1 VAL 929 2HG1 VAL 929 -3.726 -6.397 -1.347 77 3HG1 VAL 929 3HG1 VAL 929 -4.894 -6.182 -0.045 78 1HG2 VAL 929 1HG2 VAL 929 -1.648 -5.099 -1.382 79 2HG2 VAL 929 2HG2 VAL 929 -2.537 -3.575 -1.370 80 3HG2 VAL 929 3HG2 VAL 929 -1.323 -3.900 -0.131 81 H THR 930 H THR 930 -6.240 -4.190 0.283 82 HA THR 930 HA THR 930 -6.395 -1.940 -1.464 83 HB THR 930 HB THR 930 -8.933 -2.243 -1.156 84 HG1 THR 930 HG1 THR 930 -8.336 -4.808 -0.192 85 1HG2 THR 930 1HG2 THR 930 -7.276 -4.527 -2.218 86 2HG2 THR 930 2HG2 THR 930 -8.978 -4.240 -2.586 87 3HG2 THR 930 3HG2 THR 930 -7.753 -3.080 -3.106 88 H GLY 931 H GLY 931 -6.969 -2.515 1.904 89 1HA GLY 931 HA1 GLY 931 -8.050 -0.082 2.705 90 2HA GLY 931 HA2 GLY 931 -6.954 -1.053 3.678 91 H LEU 932 H LEU 932 -4.719 -0.838 1.760 92 HA LEU 932 HA LEU 932 -3.619 1.645 2.604 93 1HB LEU 932 HB1 LEU 932 -2.407 -0.547 1.893 94 2HB LEU 932 HB2 LEU 932 -2.584 0.061 0.261 95 HG LEU 932 HG LEU 932 -1.114 1.512 2.474 96 1HD1 LEU 932 1HD1 LEU 932 -0.039 -0.114 0.178 97 2HD1 LEU 932 2HD1 LEU 932 0.923 0.845 1.304 98 3HD1 LEU 932 3HD1 LEU 932 0.020 -0.555 1.884 99 1HD2 LEU 932 1HD2 LEU 932 -1.227 2.026 -0.496 100 2HD2 LEU 932 2HD2 LEU 932 -1.986 3.010 0.754 101 3HD2 LEU 932 3HD2 LEU 932 -0.228 2.899 0.667 102 H VAL 933 H VAL 933 -4.784 0.463 -0.551 103 HA VAL 933 HA VAL 933 -4.642 2.869 -1.956 104 HB VAL 933 HB VAL 933 -6.816 0.793 -2.243 105 1HG1 VAL 933 1HG1 VAL 933 -6.866 1.522 -4.582 106 2HG1 VAL 933 2HG1 VAL 933 -7.254 2.841 -3.478 107 3HG1 VAL 933 3HG1 VAL 933 -5.658 2.754 -4.222 108 1HG2 VAL 933 1HG2 VAL 933 -5.368 -0.307 -3.865 109 2HG2 VAL 933 2HG2 VAL 933 -4.092 0.864 -3.533 110 3HG2 VAL 933 3HG2 VAL 933 -4.609 -0.257 -2.274 111 H LYS 934 H LYS 934 -7.272 1.569 0.017 112 HA LYS 934 HA LYS 934 -9.085 3.657 -0.220 113 1HB LYS 934 HB1 LYS 934 -8.657 1.391 1.569 114 2HB LYS 934 HB2 LYS 934 -9.389 2.759 2.387 115 1HG LYS 934 HG1 LYS 934 -11.195 1.487 1.686 116 2HG LYS 934 HG2 LYS 934 -11.093 2.765 0.481 117 1HD LYS 934 HD1 LYS 934 -9.931 0.006 0.116 118 2HD LYS 934 HD2 LYS 934 -11.547 0.466 -0.415 119 1HE LYS 934 HE1 LYS 934 -10.417 2.312 -1.742 120 2HE LYS 934 HE2 LYS 934 -8.896 1.486 -1.400 121 1HZ LYS 934 HZ1 LYS 934 -9.472 0.546 -3.389 122 2HZ LYS 934 HZ2 LYS 934 -10.206 -0.554 -2.330 123 3HZ LYS 934 HZ3 LYS 934 -11.140 0.633 -3.089 124 H ALA 935 H ALA 935 -6.208 3.365 1.756 125 HA ALA 935 HA ALA 935 -6.828 5.658 3.372 126 1HB ALA 935 HB1 ALA 935 -5.498 3.802 4.243 127 2HB ALA 935 HB2 ALA 935 -4.223 4.184 3.085 128 3HB ALA 935 HB3 ALA 935 -4.642 5.342 4.347 129 H VAL 936 H VAL 936 -5.028 5.077 0.402 130 HA VAL 936 HA VAL 936 -4.125 7.818 0.409 131 HB VAL 936 HB VAL 936 -2.709 6.122 -0.664 132 1HG1 VAL 936 1HG1 VAL 936 -4.457 4.685 -1.593 133 2HG1 VAL 936 2HG1 VAL 936 -4.890 5.947 -2.746 134 3HG1 VAL 936 3HG1 VAL 936 -3.304 5.180 -2.834 135 1HG2 VAL 936 1HG2 VAL 936 -3.730 8.211 -2.591 136 2HG2 VAL 936 2HG2 VAL 936 -2.508 8.454 -1.343 137 3HG2 VAL 936 3HG2 VAL 936 -2.181 7.371 -2.696 138 H ILE 937 H ILE 937 -6.932 6.099 -0.427 139 HA ILE 937 HA ILE 937 -8.124 8.209 -1.939 140 HB ILE 937 HB ILE 937 -9.431 6.069 -0.251 141 1HG1 ILE 937 1HG1 ILE 937 -8.201 5.149 -2.145 142 2HG1 ILE 937 2HG1 ILE 937 -9.934 5.008 -2.425 143 1HG2 ILE 937 1HG2 ILE 937 -10.677 7.975 -2.230 144 2HG2 ILE 937 2HG2 ILE 937 -11.498 6.617 -1.460 145 3HG2 ILE 937 3HG2 ILE 937 -10.920 7.968 -0.482 146 1HD1 ILE 937 1HD1 ILE 937 -9.855 6.943 -3.905 147 2HD1 ILE 937 2HD1 ILE 937 -8.122 7.098 -3.613 148 3HD1 ILE 937 3HD1 ILE 937 -8.755 5.673 -4.441 149 H GLU 938 H GLU 938 -8.020 7.303 1.486 150 HA GLU 938 HA GLU 938 -9.276 9.438 2.688 151 1HB GLU 938 HB1 GLU 938 -6.656 8.178 3.552 152 2HB GLU 938 HB2 GLU 938 -7.694 9.165 4.572 153 1HG GLU 938 HG1 GLU 938 -8.594 6.590 3.308 154 2HG GLU 938 HG2 GLU 938 -7.874 6.690 4.914 155 H MET 939 H MET 939 -6.145 9.335 1.141 156 HA MET 939 HA MET 939 -5.166 11.862 1.902 157 1HB MET 939 HB1 MET 939 -3.629 10.424 0.832 158 2HB MET 939 HB2 MET 939 -4.713 10.130 -0.521 159 1HG MET 939 HG1 MET 939 -4.401 12.462 -1.245 160 2HG MET 939 HG2 MET 939 -3.264 12.701 0.080 161 1HE MET 939 HE1 MET 939 -0.907 11.521 0.240 162 2HE MET 939 HE2 MET 939 -1.738 9.968 0.170 163 3HE MET 939 HE3 MET 939 -0.363 10.280 -0.889 164 H SER 940 H SER 940 -7.157 10.845 -0.841 165 HA SER 940 HA SER 940 -7.434 13.443 -1.946 166 1HB SER 940 HB1 SER 940 -9.195 11.004 -2.267 167 2HB SER 940 HB2 SER 940 -9.249 12.445 -3.281 168 HG SER 940 HG SER 940 -6.847 10.999 -2.939 169 H SER 941 H SER 941 -9.096 11.741 0.616 170 HA SER 941 HA SER 941 -11.443 13.425 0.524 171 1HB SER 941 HB1 SER 941 -10.495 11.574 2.730 172 2HB SER 941 HB2 SER 941 -12.120 12.232 2.539 173 HG SER 941 HG SER 941 -11.145 9.996 1.518 174 H LYS 942 H LYS 942 -8.422 13.235 2.168 175 HA LYS 942 HA LYS 942 -8.792 15.027 4.265 176 1HB LYS 942 HB1 LYS 942 -6.570 13.749 2.858 177 2HB LYS 942 HB2 LYS 942 -6.157 15.305 3.573 178 1HG LYS 942 HG1 LYS 942 -7.535 13.130 5.109 179 2HG LYS 942 HG2 LYS 942 -5.774 13.289 5.019 180 1HD LYS 942 HD1 LYS 942 -5.821 15.420 6.008 181 2HD LYS 942 HD2 LYS 942 -7.578 15.542 5.830 182 1HE LYS 942 HE1 LYS 942 -7.796 13.617 7.397 183 2HE LYS 942 HE2 LYS 942 -6.051 13.663 7.639 184 1HZ LYS 942 HZ1 LYS 942 -6.358 16.016 8.387 185 2HZ LYS 942 HZ2 LYS 942 -8.031 15.742 8.366 186 3HZ LYS 942 HZ3 LYS 942 -7.042 14.847 9.409 187 H ILE 943 H ILE 943 -7.481 15.604 1.018 188 HA ILE 943 HA ILE 943 -7.001 18.338 1.520 189 HB ILE 943 HB ILE 943 -5.720 17.190 -0.179 190 1HG1 ILE 943 1HG1 ILE 943 -5.952 18.763 -2.081 191 2HG1 ILE 943 2HG1 ILE 943 -7.489 19.313 -1.420 192 1HG2 ILE 943 1HG2 ILE 943 -6.678 16.426 -2.276 193 2HG2 ILE 943 2HG2 ILE 943 -7.419 15.602 -0.906 194 3HG2 ILE 943 3HG2 ILE 943 -8.287 16.898 -1.728 195 1HD1 ILE 943 1HD1 ILE 943 -4.799 19.585 -0.097 196 2HD1 ILE 943 2HD1 ILE 943 -5.695 20.868 -0.909 197 3HD1 ILE 943 3HD1 ILE 943 -6.335 20.141 0.566 198 H GLN 944 H GLN 944 -9.813 16.580 0.508 199 HA GLN 944 HA GLN 944 -11.257 18.512 -0.839 200 1HB GLN 944 HB1 GLN 944 -12.225 16.376 1.051 201 2HB GLN 944 HB2 GLN 944 -13.315 17.392 0.117 202 1HG GLN 944 HG1 GLN 944 -12.358 16.566 -1.946 203 2HG GLN 944 HG2 GLN 944 -11.199 15.594 -1.043 204 1HE2 GLN 944 2HE2 GLN 944 -11.896 13.683 -1.919 205 2HE2 GLN 944 1HE2 GLN 944 -13.418 12.960 -1.528 206 HA PRO 945 HA PRO 945 -12.872 20.642 2.950 207 1HB PRO 945 HB1 PRO 945 -13.010 19.480 5.371 208 2HB PRO 945 HB2 PRO 945 -14.090 19.040 4.044 209 1HG PRO 945 HG1 PRO 945 -11.900 17.511 5.241 210 2HG PRO 945 HG2 PRO 945 -13.224 16.951 4.210 211 1HD PRO 945 HD1 PRO 945 -10.484 17.610 3.484 212 2HD PRO 945 HD2 PRO 945 -11.736 16.815 2.511 213 H ALA 946 H ALA 946 -9.643 19.894 3.040 214 HA ALA 946 HA ALA 946 -9.206 21.914 5.130 215 1HB ALA 946 HB1 ALA 946 -7.644 19.343 5.015 216 2HB ALA 946 HB2 ALA 946 -7.506 20.624 6.220 217 3HB ALA 946 HB3 ALA 946 -8.977 19.657 6.129 218 HA PRO 947 HA PRO 947 -5.905 23.346 2.435 219 1HB PRO 947 HB1 PRO 947 -4.510 24.613 4.589 220 2HB PRO 947 HB2 PRO 947 -5.640 25.353 3.456 221 1HG PRO 947 HG1 PRO 947 -6.085 25.030 6.170 222 2HG PRO 947 HG2 PRO 947 -7.345 25.297 4.953 223 1HD PRO 947 HD1 PRO 947 -6.463 22.751 6.244 224 2HD PRO 947 HD2 PRO 947 -8.094 23.273 5.772 225 HA PRO 948 HA PRO 948 -2.269 20.938 2.237 226 1HB PRO 948 HB1 PRO 948 -0.554 23.239 3.084 227 2HB PRO 948 HB2 PRO 948 -0.359 22.131 1.719 228 1HG PRO 948 HG1 PRO 948 -1.320 24.545 1.292 229 2HG PRO 948 HG2 PRO 948 -2.057 23.148 0.485 230 1HD PRO 948 HD1 PRO 948 -3.046 24.728 2.822 231 2HD PRO 948 HD2 PRO 948 -3.961 24.003 1.484 232 H GLU 949 H GLU 949 -2.595 22.667 5.242 233 HA GLU 949 HA GLU 949 -0.803 21.318 6.871 234 1HB GLU 949 HB1 GLU 949 -3.574 22.388 7.340 235 2HB GLU 949 HB2 GLU 949 -2.709 21.550 8.618 236 1HG GLU 949 HG1 GLU 949 -2.522 23.997 8.759 237 2HG GLU 949 HG2 GLU 949 -0.964 23.191 8.598 238 H GLU 950 H GLU 950 -3.518 20.105 5.122 239 HA GLU 950 HA GLU 950 -3.504 17.626 6.662 240 1HB GLU 950 HB1 GLU 950 -5.350 16.908 5.118 241 2HB GLU 950 HB2 GLU 950 -5.719 18.254 6.182 242 1HG GLU 950 HG1 GLU 950 -6.632 18.543 3.933 243 2HG GLU 950 HG2 GLU 950 -5.497 19.815 4.370 244 H TYR 951 H TYR 951 -2.112 18.933 3.816 245 HA TYR 951 HA TYR 951 -1.667 16.751 2.199 246 1HB TYR 951 HB1 TYR 951 0.148 19.009 2.994 247 2HB TYR 951 HB2 TYR 951 0.753 17.710 1.980 248 HD1 TYR 951 HD1 TYR 951 -2.463 17.814 0.950 249 HD2 TYR 951 HD2 TYR 951 1.008 20.263 0.911 250 HE1 TYR 951 HE1 TYR 951 -3.301 18.958 -1.055 251 HE2 TYR 951 HE2 TYR 951 0.187 21.423 -1.077 252 HH TYR 951 HH TYR 951 -2.982 21.204 -2.175 253 H VAL 952 H VAL 952 -0.012 17.691 5.147 254 HA VAL 952 HA VAL 952 1.637 15.366 5.134 255 HB VAL 952 HB VAL 952 2.762 16.813 6.389 256 1HG1 VAL 952 1HG1 VAL 952 0.145 17.944 7.364 257 2HG1 VAL 952 2HG1 VAL 952 1.721 18.500 7.927 258 3HG1 VAL 952 3HG1 VAL 952 1.284 18.664 6.226 259 1HG2 VAL 952 1HG2 VAL 952 0.980 15.638 8.523 260 2HG2 VAL 952 2HG2 VAL 952 2.497 14.973 7.915 261 3HG2 VAL 952 3HG2 VAL 952 2.497 16.482 8.828 262 HA PRO 953 HA PRO 953 -1.532 13.484 8.437 263 1HB PRO 953 HB1 PRO 953 -3.887 15.050 7.506 264 2HB PRO 953 HB2 PRO 953 -3.541 14.382 9.110 265 1HG PRO 953 HG1 PRO 953 -3.192 16.957 8.690 266 2HG PRO 953 HG2 PRO 953 -1.969 16.041 9.599 267 1HD PRO 953 HD1 PRO 953 -1.914 16.972 6.752 268 2HD PRO 953 HD2 PRO 953 -0.615 16.964 7.960 269 H MET 954 H MET 954 -2.634 14.540 5.185 270 HA MET 954 HA MET 954 -4.308 12.294 4.813 271 1HB MET 954 HB1 MET 954 -4.487 12.893 2.516 272 2HB MET 954 HB2 MET 954 -4.456 14.378 3.446 273 1HG MET 954 HG1 MET 954 -2.151 14.757 2.808 274 2HG MET 954 HG2 MET 954 -2.125 13.225 1.933 275 1HE MET 954 HE1 MET 954 -1.231 15.852 0.477 276 2HE MET 954 HE2 MET 954 -1.370 14.304 -0.357 277 3HE MET 954 HE3 MET 954 -2.115 15.747 -1.045 278 H VAL 955 H VAL 955 -0.977 12.929 3.774 279 HA VAL 955 HA VAL 955 -0.514 10.305 2.909 280 HB VAL 955 HB VAL 955 1.452 12.327 3.986 281 1HG1 VAL 955 1HG1 VAL 955 3.183 10.940 2.935 282 2HG1 VAL 955 2HG1 VAL 955 2.366 10.089 4.246 283 3HG1 VAL 955 3HG1 VAL 955 1.967 9.715 2.569 284 1HG2 VAL 955 1HG2 VAL 955 0.279 12.987 1.947 285 2HG2 VAL 955 2HG2 VAL 955 1.982 12.655 1.624 286 3HG2 VAL 955 3HG2 VAL 955 0.750 11.471 1.180 287 H LYS 956 H LYS 956 -0.578 11.698 6.111 288 HA LYS 956 HA LYS 956 0.707 9.582 7.489 289 1HB LYS 956 HB1 LYS 956 0.047 11.765 8.511 290 2HB LYS 956 HB2 LYS 956 -1.631 11.254 8.440 291 1HG LYS 956 HG1 LYS 956 -0.151 9.237 9.782 292 2HG LYS 956 HG2 LYS 956 0.268 10.799 10.484 293 1HD LYS 956 HD1 LYS 956 -1.587 10.098 11.725 294 2HD LYS 956 HD2 LYS 956 -2.262 11.227 10.549 295 1HE LYS 956 HE1 LYS 956 -2.791 9.242 9.104 296 2HE LYS 956 HE2 LYS 956 -2.331 8.218 10.463 297 1HZ LYS 956 HZ1 LYS 956 -4.654 8.457 10.559 298 2HZ LYS 956 HZ2 LYS 956 -4.050 9.475 11.778 299 3HZ LYS 956 HZ3 LYS 956 -4.583 10.130 10.305 300 H GLU 957 H GLU 957 -2.615 10.108 6.472 301 HA GLU 957 HA GLU 957 -3.839 7.799 7.353 302 1HB GLU 957 HB1 GLU 957 -4.313 9.045 4.626 303 2HB GLU 957 HB2 GLU 957 -5.447 8.071 5.546 304 1HG GLU 957 HG1 GLU 957 -4.434 10.800 6.308 305 2HG GLU 957 HG2 GLU 957 -6.015 10.430 5.625 306 H VAL 958 H VAL 958 -1.972 8.242 4.340 307 HA VAL 958 HA VAL 958 -2.245 5.520 3.531 308 HB VAL 958 HB VAL 958 -0.023 7.226 2.492 309 1HG1 VAL 958 1HG1 VAL 958 -0.666 6.184 0.376 310 2HG1 VAL 958 2HG1 VAL 958 -0.312 4.984 1.620 311 3HG1 VAL 958 3HG1 VAL 958 -1.985 5.348 1.195 312 1HG2 VAL 958 1HG2 VAL 958 -2.945 7.677 1.931 313 2HG2 VAL 958 2HG2 VAL 958 -1.805 8.824 2.627 314 3HG2 VAL 958 3HG2 VAL 958 -1.632 8.324 0.945 315 H GLY 959 H GLY 959 0.137 7.279 5.446 316 1HA GLY 959 HA1 GLY 959 2.198 5.327 5.241 317 2HA GLY 959 HA2 GLY 959 2.055 6.537 6.509 318 H LEU 960 H LEU 960 -0.241 5.903 7.755 319 HA LEU 960 HA LEU 960 0.193 3.529 9.180 320 1HB LEU 960 HB1 LEU 960 -2.162 5.350 8.875 321 2HB LEU 960 HB2 LEU 960 -2.352 3.834 9.731 322 HG LEU 960 HG LEU 960 -0.612 4.518 11.333 323 1HD1 LEU 960 1HD1 LEU 960 0.725 5.977 9.951 324 2HD1 LEU 960 2HD1 LEU 960 -0.615 7.112 9.801 325 3HD1 LEU 960 3HD1 LEU 960 0.152 6.857 11.367 326 1HD2 LEU 960 1HD2 LEU 960 -2.936 4.965 11.846 327 2HD2 LEU 960 2HD2 LEU 960 -1.916 6.267 12.459 328 3HD2 LEU 960 3HD2 LEU 960 -2.855 6.501 10.983 329 H ALA 961 H ALA 961 -1.282 4.094 6.159 330 HA ALA 961 HA ALA 961 -2.888 1.797 5.940 331 1HB ALA 961 HB1 ALA 961 -3.019 3.663 4.366 332 2HB ALA 961 HB2 ALA 961 -1.452 3.199 3.703 333 3HB ALA 961 HB3 ALA 961 -2.830 2.109 3.555 334 H LEU 962 H LEU 962 0.535 2.254 4.754 335 HA LEU 962 HA LEU 962 0.682 -0.553 4.212 336 1HB LEU 962 HB1 LEU 962 2.035 0.989 2.941 337 2HB LEU 962 HB2 LEU 962 2.846 1.538 4.396 338 HG LEU 962 HG LEU 962 4.110 -0.034 2.811 339 1HD1 LEU 962 1HD1 LEU 962 3.925 -0.752 5.728 340 2HD1 LEU 962 2HD1 LEU 962 5.246 -1.176 4.641 341 3HD1 LEU 962 3HD1 LEU 962 4.931 0.515 5.029 342 1HD2 LEU 962 1HD2 LEU 962 2.310 -2.038 4.158 343 2HD2 LEU 962 2HD2 LEU 962 2.361 -1.655 2.438 344 3HD2 LEU 962 3HD2 LEU 962 3.745 -2.430 3.211 345 H ARG 963 H ARG 963 1.498 1.438 7.064 346 HA ARG 963 HA ARG 963 2.713 -0.471 8.625 347 1HB ARG 963 HB1 ARG 963 0.735 1.685 9.295 348 2HB ARG 963 HB2 ARG 963 1.359 0.620 10.544 349 1HG ARG 963 HG1 ARG 963 3.641 1.339 10.006 350 2HG ARG 963 HG2 ARG 963 2.994 2.428 8.775 351 1HD ARG 963 HD1 ARG 963 3.512 3.530 10.962 352 2HD ARG 963 HD2 ARG 963 1.844 3.723 10.423 353 HE ARG 963 HE ARG 963 2.255 1.471 12.182 354 1HH1 ARG 963 2HH1 ARG 963 1.688 4.933 12.089 355 2HH1 ARG 963 1HH1 ARG 963 0.799 4.951 13.582 356 1HH2 ARG 963 2HH2 ARG 963 1.082 1.505 14.155 357 2HH2 ARG 963 1HH2 ARG 963 0.455 3.018 14.748 358 H THR 964 H THR 964 -0.822 0.094 8.637 359 HA THR 964 HA THR 964 -1.532 -2.254 9.933 360 HB THR 964 HB THR 964 -3.729 -2.099 8.646 361 HG1 THR 964 HG1 THR 964 -2.620 0.365 7.743 362 1HG2 THR 964 1HG2 THR 964 -4.444 -0.089 9.829 363 2HG2 THR 964 2HG2 THR 964 -3.411 -1.093 10.848 364 3HG2 THR 964 3HG2 THR 964 -2.759 0.362 10.092 365 H LEU 965 H LEU 965 -0.844 -1.706 6.551 366 HA LEU 965 HA LEU 965 -1.598 -4.245 5.594 367 1HB LEU 965 HB1 LEU 965 -1.316 -2.306 4.144 368 2HB LEU 965 HB2 LEU 965 0.401 -2.276 4.494 369 HG LEU 965 HG LEU 965 0.753 -4.335 3.308 370 1HD1 LEU 965 1HD1 LEU 965 -2.241 -4.421 2.975 371 2HD1 LEU 965 2HD1 LEU 965 -1.092 -5.518 2.212 372 3HD1 LEU 965 3HD1 LEU 965 -1.271 -5.508 3.966 373 1HD2 LEU 965 1HD2 LEU 965 0.670 -2.298 1.977 374 2HD2 LEU 965 2HD2 LEU 965 0.050 -3.674 1.063 375 3HD2 LEU 965 3HD2 LEU 965 -1.070 -2.500 1.759 376 H LEU 966 H LEU 966 1.249 -3.081 7.181 377 HA LEU 966 HA LEU 966 3.026 -5.161 6.467 378 1HB LEU 966 HB1 LEU 966 3.743 -3.020 7.478 379 2HB LEU 966 HB2 LEU 966 3.002 -3.501 8.990 380 HG LEU 966 HG LEU 966 4.584 -5.401 9.135 381 1HD1 LEU 966 1HD1 LEU 966 6.522 -5.458 7.652 382 2HD1 LEU 966 2HD1 LEU 966 5.023 -5.694 6.757 383 3HD1 LEU 966 3HD1 LEU 966 5.843 -4.134 6.705 384 1HD2 LEU 966 1HD2 LEU 966 5.054 -3.267 10.246 385 2HD2 LEU 966 2HD2 LEU 966 6.534 -4.067 9.717 386 3HD2 LEU 966 3HD2 LEU 966 5.891 -2.704 8.800 387 H ALA 967 H ALA 967 0.616 -4.825 9.021 388 HA ALA 967 HA ALA 967 1.153 -7.240 10.380 389 1HB ALA 967 HB1 ALA 967 -0.363 -5.504 11.247 390 2HB ALA 967 HB2 ALA 967 -1.523 -5.893 9.976 391 3HB ALA 967 HB3 ALA 967 -1.130 -7.091 11.210 392 H THR 968 H THR 968 -0.786 -6.470 7.563 393 HA THR 968 HA THR 968 -1.726 -9.088 7.020 394 HB THR 968 HB THR 968 -1.385 -6.612 5.358 395 HG1 THR 968 HG1 THR 968 -3.828 -7.829 5.530 396 1HG2 THR 968 1HG2 THR 968 -2.485 -9.245 4.390 397 2HG2 THR 968 2HG2 THR 968 -2.500 -7.720 3.506 398 3HG2 THR 968 3HG2 THR 968 -0.967 -8.511 3.867 399 H VAL 969 H VAL 969 1.109 -7.281 5.937 400 HA VAL 969 HA VAL 969 2.259 -9.136 4.255 401 HB VAL 969 HB VAL 969 3.646 -7.284 6.203 402 1HG1 VAL 969 1HG1 VAL 969 5.647 -7.561 4.809 403 2HG1 VAL 969 2HG1 VAL 969 5.171 -9.074 5.581 404 3HG1 VAL 969 3HG1 VAL 969 4.816 -8.803 3.874 405 1HG2 VAL 969 1HG2 VAL 969 3.980 -5.878 4.225 406 2HG2 VAL 969 2HG2 VAL 969 3.072 -7.034 3.253 407 3HG2 VAL 969 3HG2 VAL 969 2.268 -6.148 4.549 408 H ASP 970 H ASP 970 2.263 -9.079 7.781 409 HA ASP 970 HA ASP 970 4.053 -11.284 8.083 410 1HB ASP 970 HB1 ASP 970 3.710 -9.607 9.856 411 2HB ASP 970 HB2 ASP 970 2.042 -10.138 10.037 412 H GLU 971 H GLU 971 0.635 -11.058 7.563 413 HA GLU 971 HA GLU 971 -0.002 -13.786 8.104 414 1HB GLU 971 HB1 GLU 971 -1.162 -12.131 5.850 415 2HB GLU 971 HB2 GLU 971 -1.921 -13.472 6.691 416 1HG GLU 971 HG1 GLU 971 -1.185 -11.000 8.187 417 2HG GLU 971 HG2 GLU 971 -2.642 -11.034 7.193 418 H SER 972 H SER 972 0.898 -12.056 5.207 419 HA SER 972 HA SER 972 1.131 -14.280 3.510 420 1HB SER 972 HB1 SER 972 0.696 -12.071 2.638 421 2HB SER 972 HB2 SER 972 2.233 -11.476 3.286 422 HG SER 972 HG SER 972 3.143 -13.267 1.899 423 H LEU 973 H LEU 973 3.343 -12.876 5.799 424 HA LEU 973 HA LEU 973 5.763 -13.697 4.636 425 1HB LEU 973 HB1 LEU 973 5.020 -13.108 7.489 426 2HB LEU 973 HB2 LEU 973 6.637 -13.618 7.042 427 HG LEU 973 HG LEU 973 5.235 -11.144 6.024 428 1HD1 LEU 973 1HD1 LEU 973 6.872 -9.927 7.356 429 2HD1 LEU 973 2HD1 LEU 973 5.885 -10.975 8.374 430 3HD1 LEU 973 3HD1 LEU 973 7.531 -11.449 7.955 431 1HD2 LEU 973 1HD2 LEU 973 6.755 -12.100 4.369 432 2HD2 LEU 973 2HD2 LEU 973 7.385 -10.585 5.016 433 3HD2 LEU 973 3HD2 LEU 973 8.051 -12.125 5.565 434 HA PRO 974 HA PRO 974 5.439 -17.936 7.053 435 1HB PRO 974 HB1 PRO 974 2.461 -18.018 7.216 436 2HB PRO 974 HB2 PRO 974 3.665 -18.731 8.297 437 1HG PRO 974 HG1 PRO 974 2.359 -16.537 9.012 438 2HG PRO 974 HG2 PRO 974 4.088 -16.714 9.369 439 1HD PRO 974 HD1 PRO 974 2.749 -15.101 7.237 440 2HD PRO 974 HD2 PRO 974 4.177 -14.710 8.215 441 H VAL 975 H VAL 975 2.987 -16.544 4.919 442 HA VAL 975 HA VAL 975 2.854 -18.922 3.276 443 HB VAL 975 HB VAL 975 2.074 -16.190 2.320 444 1HG1 VAL 975 1HG1 VAL 975 1.052 -18.975 1.794 445 2HG1 VAL 975 2HG1 VAL 975 0.360 -17.498 1.122 446 3HG1 VAL 975 3HG1 VAL 975 2.006 -17.976 0.696 447 1HG2 VAL 975 1HG2 VAL 975 1.126 -16.468 4.564 448 2HG2 VAL 975 2HG2 VAL 975 -0.127 -16.518 3.323 449 3HG2 VAL 975 3HG2 VAL 975 0.430 -18.014 4.075 450 H LEU 976 H LEU 976 5.107 -16.410 3.583 451 HA LEU 976 HA LEU 976 6.189 -16.358 0.988 452 1HB LEU 976 HB1 LEU 976 6.752 -14.599 2.438 453 2HB LEU 976 HB2 LEU 976 7.325 -15.680 3.691 454 HG LEU 976 HG LEU 976 8.783 -15.511 1.070 455 1HD1 LEU 976 1HD1 LEU 976 9.119 -13.627 3.401 456 2HD1 LEU 976 2HD1 LEU 976 10.157 -13.714 1.978 457 3HD1 LEU 976 3HD1 LEU 976 8.478 -13.202 1.813 458 1HD2 LEU 976 1HD2 LEU 976 10.713 -16.027 2.485 459 2HD2 LEU 976 2HD2 LEU 976 9.673 -16.025 3.909 460 3HD2 LEU 976 3HD2 LEU 976 9.450 -17.246 2.656 461 HA PRO 977 HA PRO 977 9.264 -19.896 2.454 462 1HB PRO 977 HB1 PRO 977 7.538 -21.101 4.558 463 2HB PRO 977 HB2 PRO 977 9.299 -20.985 4.478 464 1HG PRO 977 HG1 PRO 977 7.912 -19.410 6.108 465 2HG PRO 977 HG2 PRO 977 9.319 -18.790 5.221 466 1HD PRO 977 HD1 PRO 977 6.408 -18.397 4.680 467 2HD PRO 977 HD2 PRO 977 7.750 -17.248 4.521 468 H ALA 978 H ALA 978 5.749 -20.168 2.770 469 HA ALA 978 HA ALA 978 5.471 -22.652 1.483 470 1HB ALA 978 HB1 ALA 978 3.153 -21.991 1.067 471 2HB ALA 978 HB2 ALA 978 3.645 -21.619 2.719 472 3HB ALA 978 HB3 ALA 978 3.545 -20.331 1.517 473 H SER 979 H SER 979 4.900 -19.408 0.036 474 HA SER 979 HA SER 979 6.121 -20.256 -2.439 475 1HB SER 979 HB1 SER 979 3.138 -20.069 -2.129 476 2HB SER 979 HB2 SER 979 3.901 -19.764 -3.697 477 HG SER 979 HG SER 979 4.783 -22.041 -2.415 478 H THR 980 H THR 980 4.253 -17.839 -0.701 479 HA THR 980 HA THR 980 4.192 -15.792 -2.560 480 HB THR 980 HB THR 980 4.476 -15.278 0.389 481 HG1 THR 980 HG1 THR 980 2.272 -15.760 0.516 482 1HG2 THR 980 1HG2 THR 980 4.378 -13.324 -1.107 483 2HG2 THR 980 2HG2 THR 980 2.884 -13.942 -1.808 484 3HG2 THR 980 3HG2 THR 980 2.924 -13.450 -0.115 485 H HIS 981 H HIS 981 6.996 -16.880 -0.860 486 HA HIS 981 HA HIS 981 8.484 -14.641 -0.409 487 1HB HIS 981 HB1 HIS 981 10.512 -15.994 -0.763 488 2HB HIS 981 HB2 HIS 981 9.299 -16.851 0.174 489 HD1 HIS 981 HD1 HIS 981 8.563 -19.089 -0.676 490 HD2 HIS 981 HD2 HIS 981 10.783 -16.972 -3.487 491 HE1 HIS 981 HE1 HIS 981 9.001 -20.707 -2.556 492 HE2 HIS 981 HE2 HIS 981 10.427 -19.437 -4.204 493 H ARG 982 H ARG 982 7.557 -15.751 -3.517 494 HA ARG 982 HA ARG 982 9.619 -14.295 -4.959 495 1HB ARG 982 HB1 ARG 982 6.981 -15.443 -5.903 496 2HB ARG 982 HB2 ARG 982 8.201 -14.742 -6.951 497 1HG ARG 982 HG1 ARG 982 9.740 -16.504 -6.448 498 2HG ARG 982 HG2 ARG 982 8.654 -17.161 -5.218 499 1HD ARG 982 HD1 ARG 982 6.998 -17.677 -6.904 500 2HD ARG 982 HD2 ARG 982 7.979 -16.907 -8.146 501 HE ARG 982 HE ARG 982 9.666 -18.743 -7.496 502 1HH1 ARG 982 2HH1 ARG 982 6.181 -19.129 -7.438 503 2HH1 ARG 982 1HH1 ARG 982 6.230 -20.805 -7.910 504 1HH2 ARG 982 2HH2 ARG 982 9.726 -20.950 -8.122 505 2HH2 ARG 982 1HH2 ARG 982 8.242 -21.836 -8.295 506 H GLU 983 H GLU 983 6.112 -13.931 -4.522 507 HA GLU 983 HA GLU 983 6.084 -11.349 -5.718 508 1HB GLU 983 HB1 GLU 983 4.201 -13.288 -5.271 509 2HB GLU 983 HB2 GLU 983 3.759 -12.053 -4.104 510 1HG GLU 983 HG1 GLU 983 2.627 -11.181 -5.833 511 2HG GLU 983 HG2 GLU 983 4.216 -10.515 -6.260 512 H ILE 984 H ILE 984 5.787 -12.525 -2.379 513 HA ILE 984 HA ILE 984 4.873 -10.129 -1.284 514 HB ILE 984 HB ILE 984 4.793 -12.256 -0.059 515 1HG1 ILE 984 1HG1 ILE 984 5.421 -11.377 2.162 516 2HG1 ILE 984 2HG1 ILE 984 6.348 -10.095 1.390 517 1HG2 ILE 984 1HG2 ILE 984 6.972 -13.145 -0.657 518 2HG2 ILE 984 2HG2 ILE 984 7.769 -11.874 0.268 519 3HG2 ILE 984 3HG2 ILE 984 6.795 -13.089 1.096 520 1HD1 ILE 984 1HD1 ILE 984 4.203 -9.287 2.167 521 2HD1 ILE 984 2HD1 ILE 984 4.306 -9.208 0.409 522 3HD1 ILE 984 3HD1 ILE 984 3.374 -10.492 1.181 523 H GLU 985 H GLU 985 8.121 -11.193 -2.058 524 HA GLU 985 HA GLU 985 9.341 -9.012 -0.676 525 1HB GLU 985 HB1 GLU 985 11.425 -9.728 -1.638 526 2HB GLU 985 HB2 GLU 985 10.540 -11.131 -1.065 527 1HG GLU 985 HG1 GLU 985 11.071 -12.012 -3.033 528 2HG GLU 985 HG2 GLU 985 9.756 -11.020 -3.663 529 H MET 986 H MET 986 8.154 -9.526 -3.987 530 HA MET 986 HA MET 986 9.629 -7.445 -5.137 531 1HB MET 986 HB1 MET 986 8.264 -7.536 -7.051 532 2HB MET 986 HB2 MET 986 8.429 -9.171 -6.443 533 1HG MET 986 HG1 MET 986 6.206 -9.130 -5.562 534 2HG MET 986 HG2 MET 986 6.034 -7.422 -5.963 535 1HE MET 986 HE1 MET 986 6.508 -10.700 -9.175 536 2HE MET 986 HE2 MET 986 7.838 -10.086 -8.192 537 3HE MET 986 HE3 MET 986 6.554 -11.035 -7.443 538 H ALA 987 H ALA 987 6.285 -7.251 -3.914 539 HA ALA 987 HA ALA 987 6.180 -4.443 -4.460 540 1HB ALA 987 HB1 ALA 987 4.185 -5.814 -4.773 541 2HB ALA 987 HB2 ALA 987 4.188 -6.208 -3.055 542 3HB ALA 987 HB3 ALA 987 3.919 -4.545 -3.577 543 H GLN 988 H GLN 988 6.695 -6.546 -1.681 544 HA GLN 988 HA GLN 988 6.124 -4.651 0.300 545 1HB GLN 988 HB1 GLN 988 6.404 -7.046 0.782 546 2HB GLN 988 HB2 GLN 988 8.121 -6.920 0.430 547 1HG GLN 988 HG1 GLN 988 8.306 -5.285 2.306 548 2HG GLN 988 HG2 GLN 988 6.628 -5.647 2.705 549 1HE2 GLN 988 2HE2 GLN 988 7.000 -8.465 1.874 550 2HE2 GLN 988 1HE2 GLN 988 7.849 -9.213 3.178 551 H LYS 989 H LYS 989 9.208 -5.507 -1.249 552 HA LYS 989 HA LYS 989 10.817 -3.582 0.037 553 1HB LYS 989 HB1 LYS 989 11.042 -4.868 -2.691 554 2HB LYS 989 HB2 LYS 989 12.284 -3.833 -2.001 555 1HG LYS 989 HG1 LYS 989 11.319 -6.249 -0.531 556 2HG LYS 989 HG2 LYS 989 12.532 -6.383 -1.805 557 1HD LYS 989 HD1 LYS 989 12.765 -4.583 0.603 558 2HD LYS 989 HD2 LYS 989 13.498 -6.185 0.470 559 1HE LYS 989 HE1 LYS 989 14.057 -3.808 -1.303 560 2HE LYS 989 HE2 LYS 989 15.122 -4.454 -0.055 561 1HZ LYS 989 HZ1 LYS 989 15.813 -5.215 -2.220 562 2HZ LYS 989 HZ2 LYS 989 15.242 -6.533 -1.323 563 3HZ LYS 989 HZ3 LYS 989 14.277 -5.858 -2.542 564 H LEU 990 H LEU 990 8.622 -3.469 -2.648 565 HA LEU 990 HA LEU 990 9.403 -0.878 -3.567 566 1HB LEU 990 HB1 LEU 990 8.514 -2.273 -5.201 567 2HB LEU 990 HB2 LEU 990 7.235 -2.851 -4.163 568 HG LEU 990 HG LEU 990 5.953 -0.890 -4.498 569 1HD1 LEU 990 1HD1 LEU 990 8.295 0.191 -6.083 570 2HD1 LEU 990 2HD1 LEU 990 6.720 0.967 -5.925 571 3HD1 LEU 990 3HD1 LEU 990 7.755 0.781 -4.511 572 1HD2 LEU 990 1HD2 LEU 990 7.132 -1.984 -7.034 573 2HD2 LEU 990 2HD2 LEU 990 5.644 -2.456 -6.221 574 3HD2 LEU 990 3HD2 LEU 990 5.752 -0.886 -7.004 575 H LEU 991 H LEU 991 7.013 -2.126 -1.293 576 HA LEU 991 HA LEU 991 5.488 0.218 -0.967 577 1HB LEU 991 HB1 LEU 991 6.087 -1.851 1.148 578 2HB LEU 991 HB2 LEU 991 4.773 -0.691 1.165 579 HG LEU 991 HG LEU 991 4.914 -2.640 -1.088 580 1HD1 LEU 991 1HD1 LEU 991 3.672 -4.268 0.242 581 2HD1 LEU 991 2HD1 LEU 991 5.282 -3.996 0.911 582 3HD1 LEU 991 3HD1 LEU 991 3.872 -3.260 1.674 583 1HD2 LEU 991 1HD2 LEU 991 2.478 -2.470 -0.909 584 2HD2 LEU 991 2HD2 LEU 991 2.648 -1.428 0.504 585 3HD2 LEU 991 3HD2 LEU 991 3.210 -0.873 -1.072 586 H ASN 992 H ASN 992 8.285 -1.025 0.808 587 HA ASN 992 HA ASN 992 8.558 1.074 2.640 588 1HB ASN 992 HB1 ASN 992 9.786 -1.100 2.735 589 2HB ASN 992 HB2 ASN 992 10.771 -0.570 1.377 590 1HD2 ASN 992 2HD2 ASN 992 10.107 -0.212 4.750 591 2HD2 ASN 992 1HD2 ASN 992 11.505 0.726 5.141 592 H SER 993 H SER 993 9.642 0.661 -0.653 593 HA SER 993 HA SER 993 11.365 2.852 -0.847 594 1HB SER 993 HB1 SER 993 11.546 1.300 -2.587 595 2HB SER 993 HB2 SER 993 9.802 1.214 -2.821 596 HG SER 993 HG SER 993 9.828 3.030 -3.982 597 H ASP 994 H ASP 994 7.828 2.664 -1.448 598 HA ASP 994 HA ASP 994 8.062 5.472 -2.282 599 1HB ASP 994 HB1 ASP 994 6.271 3.292 -3.275 600 2HB ASP 994 HB2 ASP 994 5.848 4.988 -3.516 601 H LEU 995 H LEU 995 6.179 3.330 -0.171 602 HA LEU 995 HA LEU 995 4.427 5.256 0.853 603 1HB LEU 995 HB1 LEU 995 4.541 2.829 1.582 604 2HB LEU 995 HB2 LEU 995 5.942 3.256 2.545 605 HG LEU 995 HG LEU 995 4.198 5.043 3.528 606 1HD1 LEU 995 1HD1 LEU 995 2.008 4.055 3.750 607 2HD1 LEU 995 2HD1 LEU 995 2.400 4.380 2.061 608 3HD1 LEU 995 3HD1 LEU 995 2.492 2.733 2.689 609 1HD2 LEU 995 1HD2 LEU 995 5.477 3.460 4.840 610 2HD2 LEU 995 2HD2 LEU 995 3.791 3.475 5.354 611 3HD2 LEU 995 3HD2 LEU 995 4.394 2.157 4.349 612 H ALA 996 H ALA 996 7.737 4.485 1.716 613 HA ALA 996 HA ALA 996 8.138 6.469 3.634 614 1HB ALA 996 HB1 ALA 996 9.718 4.643 3.304 615 2HB ALA 996 HB2 ALA 996 10.200 5.330 1.751 616 3HB ALA 996 HB3 ALA 996 10.534 6.206 3.247 617 H GLU 997 H GLU 997 8.811 6.662 0.115 618 HA GLU 997 HA GLU 997 9.671 9.308 0.210 619 1HB GLU 997 HB1 GLU 997 8.292 7.861 -2.037 620 2HB GLU 997 HB2 GLU 997 9.075 9.435 -2.181 621 1HG GLU 997 HG1 GLU 997 10.447 6.924 -1.287 622 2HG GLU 997 HG2 GLU 997 10.476 7.542 -2.940 623 H LEU 998 H LEU 998 6.415 7.993 0.046 624 HA LEU 998 HA LEU 998 5.192 10.494 -0.566 625 1HB LEU 998 HB1 LEU 998 4.048 8.322 -0.899 626 2HB LEU 998 HB2 LEU 998 3.983 8.107 0.842 627 HG LEU 998 HG LEU 998 2.570 10.109 1.038 628 1HD1 LEU 998 1HD1 LEU 998 3.404 11.311 -0.921 629 2HD1 LEU 998 2HD1 LEU 998 2.629 10.128 -1.976 630 3HD1 LEU 998 3HD1 LEU 998 1.647 11.168 -0.945 631 1HD2 LEU 998 1HD2 LEU 998 0.553 9.169 0.014 632 2HD2 LEU 998 2HD2 LEU 998 1.551 8.057 -0.922 633 3HD2 LEU 998 3HD2 LEU 998 1.509 7.938 0.837 634 H ILE 999 H ILE 999 6.159 8.826 2.317 635 HA ILE 999 HA ILE 999 5.021 10.557 4.249 636 HB ILE 999 HB ILE 999 7.571 8.932 4.379 637 1HG1 ILE 999 1HG1 ILE 999 4.808 8.413 5.508 638 2HG1 ILE 999 2HG1 ILE 999 5.496 7.627 4.090 639 1HG2 ILE 999 1HG2 ILE 999 7.476 9.214 6.806 640 2HG2 ILE 999 2HG2 ILE 999 7.666 10.765 5.990 641 3HG2 ILE 999 3HG2 ILE 999 6.092 10.291 6.630 642 1HD1 ILE 999 1HD1 ILE 999 5.615 6.191 6.040 643 2HD1 ILE 999 2HD1 ILE 999 7.231 6.630 5.485 644 3HD1 ILE 999 3HD1 ILE 999 6.540 7.417 6.905 645 H ASN1000 H ASN1000 7.946 10.746 2.336 646 HA ASN1000 HA ASN1000 8.754 13.254 3.616 647 1HB ASN1000 HB1 ASN1000 10.012 11.606 1.405 648 2HB ASN1000 HB2 ASN1000 10.656 13.146 1.957 649 1HD2 ASN1000 2HD2 ASN1000 10.212 9.793 2.696 650 2HD2 ASN1000 1HD2 ASN1000 11.273 9.748 4.063 651 H LYS1001 H LYS1001 6.671 12.312 1.188 652 HA LYS1001 HA LYS1001 7.032 14.740 -0.359 653 1HB LYS1001 HB1 LYS1001 4.949 12.568 -0.597 654 2HB LYS1001 HB2 LYS1001 5.042 13.974 -1.647 655 1HG LYS1001 HG1 LYS1001 6.974 11.693 -1.415 656 2HG LYS1001 HG2 LYS1001 6.050 12.210 -2.823 657 1HD LYS1001 HD1 LYS1001 7.377 14.250 -2.971 658 2HD LYS1001 HD2 LYS1001 8.275 13.789 -1.522 659 1HE LYS1001 HE1 LYS1001 8.950 11.694 -2.758 660 2HE LYS1001 HE2 LYS1001 8.263 12.424 -4.206 661 1HZ LYS1001 HZ1 LYS1001 9.820 14.318 -3.863 662 2HZ LYS1001 HZ2 LYS1001 10.544 13.440 -2.604 663 3HZ LYS1001 HZ3 LYS1001 10.592 12.841 -4.184 664 H MET1002 H MET1002 4.775 13.425 2.037 665 HA MET1002 HA MET1002 3.150 15.760 2.098 666 1HB MET1002 HB1 MET1002 2.270 14.907 4.200 667 2HB MET1002 HB2 MET1002 2.341 13.623 3.011 668 1HG MET1002 HG1 MET1002 3.077 12.559 4.899 669 2HG MET1002 HG2 MET1002 4.600 13.041 4.155 670 1HE MET1002 HE1 MET1002 5.716 12.518 6.550 671 2HE MET1002 HE2 MET1002 5.258 13.342 8.042 672 3HE MET1002 HE3 MET1002 4.154 12.187 7.294 673 H LYS1003 H LYS1003 5.939 14.565 3.797 674 HA LYS1003 HA LYS1003 6.414 16.732 5.469 675 1HB LYS1003 HB1 LYS1003 7.624 14.617 5.652 676 2HB LYS1003 HB2 LYS1003 8.354 14.876 4.075 677 1HG LYS1003 HG1 LYS1003 9.637 16.717 4.893 678 2HG LYS1003 HG2 LYS1003 8.788 16.679 6.442 679 1HD LYS1003 HD1 LYS1003 9.731 14.523 6.958 680 2HD LYS1003 HD2 LYS1003 10.463 14.420 5.355 681 1HE LYS1003 HE1 LYS1003 11.106 16.612 7.308 682 2HE LYS1003 HE2 LYS1003 12.001 15.095 7.245 683 1HZ LYS1003 HZ1 LYS1003 12.830 15.577 5.149 684 2HZ LYS1003 HZ2 LYS1003 11.649 16.748 4.821 685 3HZ LYS1003 HZ3 LYS1003 12.888 17.082 5.934 686 H LEU1004 H LEU1004 7.741 16.042 2.233 687 HA LEU1004 HA LEU1004 9.018 18.433 1.777 688 1HB LEU1004 HB1 LEU1004 9.011 16.265 0.417 689 2HB LEU1004 HB2 LEU1004 7.598 16.919 -0.385 690 HG LEU1004 HG LEU1004 8.971 18.889 -1.073 691 1HD1 LEU1004 1HD1 LEU1004 10.693 18.804 0.615 692 2HD1 LEU1004 2HD1 LEU1004 11.220 17.222 0.041 693 3HD1 LEU1004 3HD1 LEU1004 11.421 18.644 -0.984 694 1HD2 LEU1004 1HD2 LEU1004 10.178 17.682 -2.834 695 2HD2 LEU1004 2HD2 LEU1004 9.921 16.170 -1.964 696 3HD2 LEU1004 3HD2 LEU1004 8.543 17.063 -2.608 697 H ALA1005 H ALA1005 5.662 17.632 0.855 698 HA ALA1005 HA ALA1005 5.098 20.058 -0.432 699 1HB ALA1005 HB1 ALA1005 2.755 19.479 -0.152 700 2HB ALA1005 HB2 ALA1005 3.687 18.054 -0.610 701 3HB ALA1005 HB3 ALA1005 3.178 18.274 1.064 702 H GLN1006 H GLN1006 4.580 19.048 2.921 703 HA GLN1006 HA GLN1006 3.622 21.626 3.730 704 1HB GLN1006 HB1 GLN1006 3.210 20.633 5.757 705 2HB GLN1006 HB2 GLN1006 3.287 19.198 4.737 706 1HG GLN1006 HG1 GLN1006 5.332 18.550 5.550 707 2HG GLN1006 HG2 GLN1006 5.776 20.176 6.062 708 1HE2 GLN1006 2HE2 GLN1006 5.833 17.655 7.528 709 2HE2 GLN1006 1HE2 GLN1006 4.866 17.907 8.936 710 H GLN1007 H GLN1007 6.627 20.296 3.068 711 HA GLN1007 HA GLN1007 8.217 21.858 4.877 712 1HB GLN1007 HB1 GLN1007 8.629 19.539 3.536 713 2HB GLN1007 HB2 GLN1007 9.399 20.673 2.437 714 1HG GLN1007 HG1 GLN1007 10.957 19.628 4.013 715 2HG GLN1007 HG2 GLN1007 10.916 21.389 4.170 716 1HE2 GLN1007 2HE2 GLN1007 8.367 19.342 5.391 717 2HE2 GLN1007 1HE2 GLN1007 8.718 19.574 7.072 718 H TYR1008 H TYR1008 6.939 22.139 1.689 719 HA TYR1008 HA TYR1008 8.360 24.692 1.272 720 1HB TYR1008 HB1 TYR1008 8.939 22.895 -0.327 721 2HB TYR1008 HB2 TYR1008 7.246 22.741 -0.756 722 HD1 TYR1008 HD1 TYR1008 6.625 23.679 -2.761 723 HD2 TYR1008 HD2 TYR1008 9.830 25.442 -0.576 724 HE1 TYR1008 HE1 TYR1008 6.964 25.311 -4.572 725 HE2 TYR1008 HE2 TYR1008 10.171 27.075 -2.382 726 HH TYR1008 HH TYR1008 9.719 27.178 -4.864 727 H VAL1009 H VAL1009 5.688 23.716 2.508 728 HA VAL1009 HA VAL1009 3.495 24.354 1.045 729 HB VAL1009 HB VAL1009 3.334 23.347 3.235 730 1HG1 VAL1009 1HG1 VAL1009 5.050 24.597 4.414 731 2HG1 VAL1009 2HG1 VAL1009 4.063 26.057 4.339 732 3HG1 VAL1009 3HG1 VAL1009 3.519 24.673 5.287 733 1HG2 VAL1009 1HG2 VAL1009 1.814 25.942 3.038 734 2HG2 VAL1009 2HG2 VAL1009 1.350 24.393 2.335 735 3HG2 VAL1009 3HG2 VAL1009 1.390 24.589 4.087 736 H MET1010 H MET1010 3.288 26.037 -0.215 737 HA MET1010 HA MET1010 2.933 28.638 1.013 738 1HB MET1010 HB1 MET1010 5.318 28.649 0.350 739 2HB MET1010 HB2 MET1010 4.858 28.230 -1.295 740 1HG MET1010 HG1 MET1010 5.345 30.576 -1.162 741 2HG MET1010 HG2 MET1010 3.625 30.347 -1.469 742 1HE MET1010 HE1 MET1010 5.579 29.945 1.952 743 2HE MET1010 HE2 MET1010 6.361 31.309 1.154 744 3HE MET1010 HE3 MET1010 5.404 31.569 2.613 745 H THR1011 H THR1011 1.184 29.589 0.133 746 HA THR1011 HA THR1011 -0.536 28.299 -1.557 747 HB THR1011 HB THR1011 -1.276 30.189 -0.251 748 HG1 THR1011 HG1 THR1011 -1.579 30.831 -3.017 749 1HG2 THR1011 1HG2 THR1011 -0.737 32.499 -0.869 750 2HG2 THR1011 2HG2 THR1011 0.711 31.601 -0.412 751 3HG2 THR1011 3HG2 THR1011 0.365 31.910 -2.113 752 H SER1012 H SER1012 -0.653 27.858 -3.617 753 HA SER1012 HA SER1012 -0.520 28.001 -5.881 754 1HB SER1012 HB1 SER1012 0.994 30.592 -5.517 755 2HB SER1012 HB2 SER1012 0.214 30.015 -6.992 756 HG SER1012 HG SER1012 -1.789 30.066 -5.765 757 H LEU1013 H LEU1013 2.484 28.945 -4.243 758 HA LEU1013 HA LEU1013 4.176 27.909 -6.302 759 1HB LEU1013 HB1 LEU1013 4.806 28.611 -3.434 760 2HB LEU1013 HB2 LEU1013 5.996 28.271 -4.675 761 HG LEU1013 HG LEU1013 4.058 30.586 -4.707 762 1HD1 LEU1013 1HD1 LEU1013 7.022 30.506 -4.165 763 2HD1 LEU1013 2HD1 LEU1013 6.044 31.964 -4.323 764 3HD1 LEU1013 3HD1 LEU1013 5.755 30.848 -2.988 765 1HD2 LEU1013 1HD2 LEU1013 5.310 31.365 -6.629 766 2HD2 LEU1013 2HD2 LEU1013 6.361 29.950 -6.549 767 3HD2 LEU1013 3HD2 LEU1013 4.653 29.760 -6.947 768 H GLN1014 H GLN1014 2.655 26.587 -3.504 769 HA GLN1014 HA GLN1014 4.240 24.403 -2.861 770 1HB GLN1014 HB1 GLN1014 1.967 25.354 -1.892 771 2HB GLN1014 HB2 GLN1014 1.257 24.136 -2.936 772 1HG GLN1014 HG1 GLN1014 2.949 23.786 -0.505 773 2HG GLN1014 HG2 GLN1014 1.384 23.082 -0.887 774 1HE2 GLN1014 2HE2 GLN1014 1.361 21.452 -2.605 775 2HE2 GLN1014 1HE2 GLN1014 2.734 20.413 -2.761 776 H GLN1015 H GLN1015 2.163 24.909 -5.590 777 HA GLN1015 HA GLN1015 1.419 22.266 -6.171 778 1HB GLN1015 HB1 GLN1015 0.221 24.041 -7.178 779 2HB GLN1015 HB2 GLN1015 1.675 24.693 -7.904 780 1HG GLN1015 HG1 GLN1015 1.809 22.846 -9.433 781 2HG GLN1015 HG2 GLN1015 0.470 22.034 -8.621 782 1HE2 GLN1015 2HE2 GLN1015 1.395 24.642 -10.726 783 2HE2 GLN1015 1HE2 GLN1015 -0.199 25.012 -11.298 784 H GLU1016 H GLU1016 4.290 24.071 -7.049 785 HA GLU1016 HA GLU1016 5.575 22.351 -8.770 786 1HB GLU1016 HB1 GLU1016 6.521 24.492 -7.963 787 2HB GLU1016 HB2 GLU1016 6.837 23.749 -6.402 788 1HG GLU1016 HG1 GLU1016 8.366 22.164 -7.480 789 2HG GLU1016 HG2 GLU1016 8.073 22.955 -9.029 790 H TYR1017 H TYR1017 5.819 22.203 -5.208 791 HA TYR1017 HA TYR1017 6.998 19.605 -5.239 792 1HB TYR1017 HB1 TYR1017 5.973 21.413 -3.068 793 2HB TYR1017 HB2 TYR1017 6.405 19.743 -2.707 794 HD1 TYR1017 HD1 TYR1017 8.225 21.644 -5.261 795 HD2 TYR1017 HD2 TYR1017 8.194 20.415 -1.180 796 HE1 TYR1017 HE1 TYR1017 10.580 22.306 -5.050 797 HE2 TYR1017 HE2 TYR1017 10.553 21.071 -0.969 798 HH TYR1017 HH TYR1017 12.158 22.971 -3.291 799 H LYS1018 H LYS1018 3.778 20.821 -5.223 800 HA LYS1018 HA LYS1018 2.403 18.597 -4.167 801 1HB LYS1018 HB1 LYS1018 1.359 20.785 -4.457 802 2HB LYS1018 HB2 LYS1018 1.508 20.646 -6.201 803 1HG LYS1018 HG1 LYS1018 -0.029 18.736 -6.173 804 2HG LYS1018 HG2 LYS1018 -0.191 18.909 -4.421 805 1HD LYS1018 HD1 LYS1018 -1.078 21.170 -4.727 806 2HD LYS1018 HD2 LYS1018 -0.920 20.997 -6.477 807 1HE LYS1018 HE1 LYS1018 -3.217 20.610 -5.737 808 2HE LYS1018 HE2 LYS1018 -2.514 19.161 -6.455 809 1HZ LYS1018 HZ1 LYS1018 -2.187 18.219 -4.314 810 2HZ LYS1018 HZ2 LYS1018 -2.622 19.662 -3.533 811 3HZ LYS1018 HZ3 LYS1018 -3.790 18.769 -4.381 812 H LYS1019 H LYS1019 3.274 19.439 -7.517 813 HA LYS1019 HA LYS1019 2.127 17.212 -8.778 814 1HB LYS1019 HB1 LYS1019 4.638 18.723 -9.533 815 2HB LYS1019 HB2 LYS1019 3.779 17.607 -10.580 816 1HG LYS1019 HG1 LYS1019 1.816 19.081 -10.520 817 2HG LYS1019 HG2 LYS1019 2.717 20.209 -9.505 818 1HD LYS1019 HD1 LYS1019 4.392 20.455 -11.281 819 2HD LYS1019 HD2 LYS1019 3.466 19.353 -12.299 820 1HE LYS1019 HE1 LYS1019 1.561 20.930 -12.188 821 2HE LYS1019 HE2 LYS1019 2.575 22.042 -11.270 822 1HZ LYS1019 HZ1 LYS1019 3.127 21.080 -14.027 823 2HZ LYS1019 HZ2 LYS1019 2.528 22.613 -13.621 824 3HZ LYS1019 HZ3 LYS1019 4.092 22.161 -13.146 825 H GLN1020 H GLN1020 5.527 17.703 -7.895 826 HA GLN1020 HA GLN1020 6.489 15.154 -8.155 827 1HB GLN1020 HB1 GLN1020 7.155 17.168 -6.008 828 2HB GLN1020 HB2 GLN1020 8.114 15.736 -6.358 829 1HG GLN1020 HG1 GLN1020 8.613 16.539 -8.562 830 2HG GLN1020 HG2 GLN1020 7.528 17.912 -8.349 831 1HE2 GLN1020 2HE2 GLN1020 8.178 19.651 -7.113 832 2HE2 GLN1020 1HE2 GLN1020 9.816 19.860 -6.590 833 H MET1021 H MET1021 4.698 16.455 -5.402 834 HA MET1021 HA MET1021 4.895 14.222 -3.709 835 1HB MET1021 HB1 MET1021 4.103 16.462 -3.011 836 2HB MET1021 HB2 MET1021 2.634 16.219 -3.946 837 1HG MET1021 HG1 MET1021 2.103 14.273 -2.515 838 2HG MET1021 HG2 MET1021 3.517 14.657 -1.533 839 1HE MET1021 HE1 MET1021 0.928 14.355 -0.018 840 2HE MET1021 HE2 MET1021 2.392 15.004 0.721 841 3HE MET1021 HE3 MET1021 0.850 15.831 0.944 842 H LEU1022 H LEU1022 2.307 15.158 -5.973 843 HA LEU1022 HA LEU1022 0.692 12.893 -5.578 844 1HB LEU1022 HB1 LEU1022 -0.064 14.982 -6.642 845 2HB LEU1022 HB2 LEU1022 0.941 14.630 -8.034 846 HG LEU1022 HG LEU1022 -0.410 12.588 -8.454 847 1HD1 LEU1022 1HD1 LEU1022 -1.211 12.156 -6.215 848 2HD1 LEU1022 2HD1 LEU1022 -2.117 13.668 -6.219 849 3HD1 LEU1022 3HD1 LEU1022 -2.576 12.363 -7.313 850 1HD2 LEU1022 1HD2 LEU1022 -1.945 15.179 -8.328 851 2HD2 LEU1022 2HD2 LEU1022 -0.905 14.639 -9.649 852 3HD2 LEU1022 3HD2 LEU1022 -2.392 13.765 -9.283 853 H THR1023 H THR1023 3.392 13.487 -7.739 854 HA THR1023 HA THR1023 3.123 11.186 -9.340 855 HB THR1023 HB THR1023 5.681 12.626 -8.598 856 HG1 THR1023 HG1 THR1023 4.124 14.046 -9.514 857 1HG2 THR1023 1HG2 THR1023 6.070 10.460 -9.670 858 2HG2 THR1023 2HG2 THR1023 4.983 10.909 -10.983 859 3HG2 THR1023 3HG2 THR1023 6.497 11.783 -10.755 860 H ALA1024 H ALA1024 4.555 11.720 -6.194 861 HA ALA1024 HA ALA1024 5.786 9.108 -6.077 862 1HB ALA1024 HB1 ALA1024 6.795 11.007 -4.902 863 2HB ALA1024 HB2 ALA1024 5.364 11.124 -3.878 864 3HB ALA1024 HB3 ALA1024 6.390 9.691 -3.802 865 H ALA1025 H ALA1025 2.927 10.721 -4.783 866 HA ALA1025 HA ALA1025 1.917 8.629 -3.218 867 1HB ALA1025 HB1 ALA1025 -0.267 9.723 -3.492 868 2HB ALA1025 HB2 ALA1025 1.005 10.895 -3.144 869 3HB ALA1025 HB3 ALA1025 0.398 10.716 -4.789 870 H HIS1026 H HIS1026 1.473 9.408 -6.633 871 HA HIS1026 HA HIS1026 -0.270 7.336 -7.320 872 1HB HIS1026 HB1 HIS1026 0.282 9.269 -8.774 873 2HB HIS1026 HB2 HIS1026 1.891 8.605 -9.022 874 HD1 HIS1026 HD1 HIS1026 -1.694 8.124 -9.993 875 HD2 HIS1026 HD2 HIS1026 2.046 6.520 -10.876 876 HE1 HIS1026 HE1 HIS1026 -2.029 6.687 -12.038 877 HE2 HIS1026 HE2 HIS1026 0.240 5.697 -12.535 878 H ALA1027 H ALA1027 3.220 7.398 -6.952 879 HA ALA1027 HA ALA1027 3.678 4.856 -8.163 880 1HB ALA1027 HB1 ALA1027 5.942 5.068 -7.318 881 2HB ALA1027 HB2 ALA1027 5.411 6.591 -8.032 882 3HB ALA1027 HB3 ALA1027 5.452 6.404 -6.279 883 H LEU1028 H LEU1028 3.303 5.946 -4.799 884 HA LEU1028 HA LEU1028 3.766 3.305 -3.761 885 1HB LEU1028 HB1 LEU1028 4.314 4.811 -2.146 886 2HB LEU1028 HB2 LEU1028 3.029 5.925 -2.525 887 HG LEU1028 HG LEU1028 1.486 4.053 -1.540 888 1HD1 LEU1028 1HD1 LEU1028 3.119 2.313 -1.400 889 2HD1 LEU1028 2HD1 LEU1028 4.117 3.303 -0.334 890 3HD1 LEU1028 3HD1 LEU1028 2.535 2.741 0.208 891 1HD2 LEU1028 1HD2 LEU1028 1.919 4.952 0.759 892 2HD2 LEU1028 2HD2 LEU1028 3.250 5.867 0.047 893 3HD2 LEU1028 3HD2 LEU1028 1.601 6.146 -0.500 894 H ALA1029 H ALA1029 0.974 5.228 -4.661 895 HA ALA1029 HA ALA1029 -1.070 3.545 -3.820 896 1HB ALA1029 HB1 ALA1029 -1.455 5.757 -4.805 897 2HB ALA1029 HB2 ALA1029 -0.981 5.131 -6.385 898 3HB ALA1029 HB3 ALA1029 -2.429 4.514 -5.590 899 H VAL1030 H VAL1030 0.687 3.455 -6.934 900 HA VAL1030 HA VAL1030 -0.552 1.064 -7.832 901 HB VAL1030 HB VAL1030 2.061 2.322 -8.696 902 1HG1 VAL1030 1HG1 VAL1030 1.912 -0.050 -9.332 903 2HG1 VAL1030 2HG1 VAL1030 0.371 0.272 -10.127 904 3HG1 VAL1030 3HG1 VAL1030 1.849 1.018 -10.735 905 1HG2 VAL1030 1HG2 VAL1030 0.728 3.190 -10.585 906 2HG2 VAL1030 2HG2 VAL1030 -0.728 2.554 -9.818 907 3HG2 VAL1030 3HG2 VAL1030 0.202 3.827 -9.026 908 H ASP1031 H ASP1031 1.908 1.718 -5.644 909 HA ASP1031 HA ASP1031 3.219 -0.837 -5.761 910 1HB ASP1031 HB1 ASP1031 4.662 0.756 -4.965 911 2HB ASP1031 HB2 ASP1031 3.404 1.613 -4.084 912 H ALA1032 H ALA1032 0.874 0.750 -3.592 913 HA ALA1032 HA ALA1032 0.249 -1.438 -1.953 914 1HB ALA1032 HB1 ALA1032 -1.910 -0.339 -1.629 915 2HB ALA1032 HB2 ALA1032 -0.590 0.829 -1.557 916 3HB ALA1032 HB3 ALA1032 -1.588 0.714 -3.007 917 H LYS1033 H LYS1033 -0.931 -0.461 -5.142 918 HA LYS1033 HA LYS1033 -2.796 -2.541 -5.495 919 1HB LYS1033 HB1 LYS1033 -1.238 -0.941 -7.528 920 2HB LYS1033 HB2 LYS1033 -2.557 -2.029 -7.931 921 1HG LYS1033 HG1 LYS1033 -2.801 0.387 -6.151 922 2HG LYS1033 HG2 LYS1033 -3.229 0.337 -7.861 923 1HD LYS1033 HD1 LYS1033 -4.463 -1.386 -5.710 924 2HD LYS1033 HD2 LYS1033 -5.188 0.075 -6.377 925 1HE LYS1033 HE1 LYS1033 -4.554 -2.471 -7.870 926 2HE LYS1033 HE2 LYS1033 -6.155 -1.883 -7.427 927 1HZ LYS1033 HZ1 LYS1033 -4.269 -0.696 -9.383 928 2HZ LYS1033 HZ2 LYS1033 -5.800 -1.352 -9.688 929 3HZ LYS1033 HZ3 LYS1033 -5.661 0.106 -8.835 930 H ASN1034 H ASN1034 0.681 -2.372 -6.048 931 HA ASN1034 HA ASN1034 0.866 -4.784 -7.527 932 1HB ASN1034 HB1 ASN1034 2.670 -3.021 -7.398 933 2HB ASN1034 HB2 ASN1034 3.027 -3.604 -5.774 934 1HD2 ASN1034 2HD2 ASN1034 5.093 -4.289 -6.289 935 2HD2 ASN1034 1HD2 ASN1034 5.417 -5.637 -7.318 936 H LEU1035 H LEU1035 1.039 -4.016 -4.076 937 HA LEU1035 HA LEU1035 1.746 -6.744 -3.384 938 1HB LEU1035 HB1 LEU1035 2.492 -4.799 -1.968 939 2HB LEU1035 HB2 LEU1035 0.804 -4.546 -1.523 940 HG LEU1035 HG LEU1035 0.877 -6.986 -0.682 941 1HD1 LEU1035 1HD1 LEU1035 3.098 -7.730 0.043 942 2HD1 LEU1035 2HD1 LEU1035 2.963 -7.635 -1.713 943 3HD1 LEU1035 3HD1 LEU1035 3.823 -6.375 -0.825 944 1HD2 LEU1035 1HD2 LEU1035 2.429 -4.819 0.717 945 2HD2 LEU1035 2HD2 LEU1035 0.690 -5.097 0.811 946 3HD2 LEU1035 3HD2 LEU1035 1.810 -6.287 1.476 947 H LEU1036 H LEU1036 -1.122 -4.897 -3.874 948 HA LEU1036 HA LEU1036 -2.936 -6.445 -2.402 949 1HB LEU1036 HB1 LEU1036 -4.142 -4.661 -2.959 950 2HB LEU1036 HB2 LEU1036 -3.087 -4.260 -4.301 951 HG LEU1036 HG LEU1036 -5.274 -6.336 -4.550 952 1HD1 LEU1036 1HD1 LEU1036 -6.288 -4.256 -3.786 953 2HD1 LEU1036 2HD1 LEU1036 -5.460 -3.370 -5.066 954 3HD1 LEU1036 3HD1 LEU1036 -6.689 -4.568 -5.475 955 1HD2 LEU1036 1HD2 LEU1036 -3.900 -4.584 -6.592 956 2HD2 LEU1036 2HD2 LEU1036 -3.568 -6.296 -6.323 957 3HD2 LEU1036 3HD2 LEU1036 -5.147 -5.787 -6.921 958 H ASP1037 H ASP1037 -1.557 -6.798 -5.537 959 HA ASP1037 HA ASP1037 -3.144 -9.160 -6.123 960 1HB ASP1037 HB1 ASP1037 -2.408 -7.568 -7.936 961 2HB ASP1037 HB2 ASP1037 -0.754 -8.101 -7.654 962 H VAL1038 H VAL1038 0.086 -8.249 -5.136 963 HA VAL1038 HA VAL1038 1.432 -10.650 -5.153 964 HB VAL1038 HB VAL1038 1.577 -8.319 -3.256 965 1HG1 VAL1038 1HG1 VAL1038 3.673 -9.252 -2.384 966 2HG1 VAL1038 2HG1 VAL1038 2.282 -10.265 -1.991 967 3HG1 VAL1038 3HG1 VAL1038 3.377 -10.736 -3.293 968 1HG2 VAL1038 1HG2 VAL1038 3.413 -9.313 -5.433 969 2HG2 VAL1038 2HG2 VAL1038 2.343 -7.914 -5.524 970 3HG2 VAL1038 3HG2 VAL1038 3.708 -7.909 -4.408 971 H ILE1039 H ILE1039 -0.235 -9.317 -2.317 972 HA ILE1039 HA ILE1039 0.045 -11.805 -0.914 973 HB ILE1039 HB ILE1039 -1.070 -10.638 0.971 974 1HG1 ILE1039 1HG1 ILE1039 -1.191 -8.413 -1.052 975 2HG1 ILE1039 2HG1 ILE1039 -2.491 -9.060 -0.059 976 1HG2 ILE1039 1HG2 ILE1039 1.292 -9.240 -0.272 977 2HG2 ILE1039 2HG2 ILE1039 0.805 -9.118 1.418 978 3HG2 ILE1039 3HG2 ILE1039 1.342 -10.665 0.766 979 1HD1 ILE1039 1HD1 ILE1039 -1.438 -8.113 1.928 980 2HD1 ILE1039 2HD1 ILE1039 -0.152 -7.448 0.921 981 3HD1 ILE1039 3HD1 ILE1039 -1.810 -6.878 0.724 982 H ASP1040 H ASP1040 -2.686 -10.040 -2.408 983 HA ASP1040 HA ASP1040 -4.697 -11.852 -1.832 984 1HB ASP1040 HB1 ASP1040 -5.280 -10.108 -3.338 985 2HB ASP1040 HB2 ASP1040 -3.987 -10.536 -4.455 986 H GLN1041 H GLN1041 -2.108 -12.115 -4.206 987 HA GLN1041 HA GLN1041 -2.768 -14.803 -4.907 988 1HB GLN1041 HB1 GLN1041 -0.322 -13.141 -5.427 989 2HB GLN1041 HB2 GLN1041 -0.426 -14.832 -5.893 990 1HG GLN1041 HG1 GLN1041 -2.593 -14.096 -7.110 991 2HG GLN1041 HG2 GLN1041 -1.911 -12.475 -6.959 992 1HE2 GLN1041 2HE2 GLN1041 -1.514 -12.165 -9.093 993 2HE2 GLN1041 1HE2 GLN1041 -0.337 -13.062 -9.986 994 H ALA1042 H ALA1042 -0.736 -13.291 -2.458 995 HA ALA1042 HA ALA1042 0.811 -15.388 -1.663 996 1HB ALA1042 HB1 ALA1042 0.858 -13.180 -0.603 997 2HB ALA1042 HB2 ALA1042 -0.670 -13.546 0.199 998 3HB ALA1042 HB3 ALA1042 0.773 -14.484 0.581 999 H ARG1043 H ARG1043 -2.449 -14.711 -0.401 1000 HA ARG1043 HA ARG1043 -2.835 -17.108 0.939 1001 1HB ARG1043 HB1 ARG1043 -4.504 -14.954 -0.008 1002 2HB ARG1043 HB2 ARG1043 -5.334 -16.497 -0.164 1003 1HG ARG1043 HG1 ARG1043 -5.748 -15.329 1.985 1004 2HG ARG1043 HG2 ARG1043 -5.081 -16.952 2.164 1005 1HD ARG1043 HD1 ARG1043 -2.937 -16.110 2.715 1006 2HD ARG1043 HD2 ARG1043 -3.363 -14.482 2.182 1007 HE ARG1043 HE ARG1043 -5.060 -14.649 4.118 1008 1HH1 ARG1043 2HH1 ARG1043 -1.859 -16.084 4.189 1009 2HH1 ARG1043 1HH1 ARG1043 -1.699 -15.922 5.914 1010 1HH2 ARG1043 2HH2 ARG1043 -4.829 -14.398 6.341 1011 2HH2 ARG1043 1HH2 ARG1043 -3.369 -14.927 7.132 1012 H LEU1044 H LEU1044 -3.156 -16.443 -2.509 1013 HA LEU1044 HA LEU1044 -4.136 -19.044 -3.189 1014 1HB LEU1044 HB1 LEU1044 -4.398 -17.105 -4.675 1015 2HB LEU1044 HB2 LEU1044 -2.659 -17.035 -4.884 1016 HG LEU1044 HG LEU1044 -2.701 -19.237 -5.983 1017 1HD1 LEU1044 1HD1 LEU1044 -4.825 -20.242 -6.620 1018 2HD1 LEU1044 2HD1 LEU1044 -4.668 -20.157 -4.865 1019 3HD1 LEU1044 3HD1 LEU1044 -5.695 -19.002 -5.716 1020 1HD2 LEU1044 1HD2 LEU1044 -4.579 -17.194 -7.157 1021 2HD2 LEU1044 2HD2 LEU1044 -2.826 -17.229 -7.335 1022 3HD2 LEU1044 3HD2 LEU1044 -3.810 -18.507 -8.049 1023 H LYS1045 H LYS1045 -0.914 -17.600 -2.944 1024 HA LYS1045 HA LYS1045 0.649 -19.704 -3.930 1025 1HB LYS1045 HB1 LYS1045 1.387 -18.024 -1.524 1026 2HB LYS1045 HB2 LYS1045 2.473 -18.782 -2.667 1027 1HG LYS1045 HG1 LYS1045 0.704 -16.418 -3.175 1028 2HG LYS1045 HG2 LYS1045 2.440 -16.392 -2.908 1029 1HD LYS1045 HD1 LYS1045 2.681 -17.793 -4.986 1030 2HD LYS1045 HD2 LYS1045 0.958 -17.528 -5.279 1031 1HE LYS1045 HE1 LYS1045 1.420 -15.060 -5.134 1032 2HE LYS1045 HE2 LYS1045 3.137 -15.450 -5.100 1033 1HZ LYS1045 HZ1 LYS1045 2.658 -14.943 -7.312 1034 2HZ LYS1045 HZ2 LYS1045 2.696 -16.641 -7.284 1035 3HZ LYS1045 HZ3 LYS1045 1.211 -15.831 -7.317 1036 H MET1046 H MET1046 -0.997 -19.141 -0.943 1037 HA MET1046 HA MET1046 0.274 -21.227 0.550 1038 1HB MET1046 HB1 MET1046 -0.810 -19.191 1.530 1039 2HB MET1046 HB2 MET1046 -2.366 -19.863 1.078 1040 1HG MET1046 HG1 MET1046 -2.036 -21.736 2.558 1041 2HG MET1046 HG2 MET1046 -0.401 -21.183 2.929 1042 1HE MET1046 HE1 MET1046 -2.280 -20.552 6.303 1043 2HE MET1046 HE2 MET1046 -2.573 -21.886 5.186 1044 3HE MET1046 HE3 MET1046 -0.924 -21.353 5.510 1045 H ILE1047 H ILE1047 -2.722 -20.883 -1.278 1046 HA ILE1047 HA ILE1047 -3.738 -23.473 -0.884 1047 HB ILE1047 HB ILE1047 -3.901 -21.775 -3.391 1048 1HG1 ILE1047 1HG1 ILE1047 -4.760 -20.557 -1.464 1049 2HG1 ILE1047 2HG1 ILE1047 -6.086 -21.035 -2.515 1050 1HG2 ILE1047 1HG2 ILE1047 -5.912 -23.062 -3.903 1051 2HG2 ILE1047 2HG2 ILE1047 -4.489 -24.098 -3.807 1052 3HG2 ILE1047 3HG2 ILE1047 -5.639 -24.058 -2.472 1053 1HD1 ILE1047 1HD1 ILE1047 -5.282 -22.381 0.053 1054 2HD1 ILE1047 2HD1 ILE1047 -6.679 -21.330 -0.190 1055 3HD1 ILE1047 3HD1 ILE1047 -6.597 -22.893 -1.007 1056 H SER1048 H SER1048 -1.485 -22.111 -3.217 1057 HA SER1048 HA SER1048 -1.080 -24.294 -4.871 1058 1HB SER1048 HB1 SER1048 -0.315 -21.932 -5.241 1059 2HB SER1048 HB2 SER1048 1.001 -22.229 -4.105 1060 HG SER1048 HG SER1048 1.953 -23.543 -5.526 1061 H GLN1049 H GLN1049 1.053 -23.285 -2.178 1062 HA GLN1049 HA GLN1049 2.495 -25.789 -2.411 1063 1HB GLN1049 HB1 GLN1049 3.778 -23.760 -2.115 1064 2HB GLN1049 HB2 GLN1049 2.916 -23.394 -0.629 1065 1HG GLN1049 HG1 GLN1049 5.128 -24.261 -0.159 1066 2HG GLN1049 HG2 GLN1049 3.883 -25.358 0.434 1067 1HE2 GLN1049 2HE2 GLN1049 5.299 -27.090 0.456 1068 2HE2 GLN1049 1HE2 GLN1049 5.829 -27.865 -1.000 1069 H SER1050 H SER1050 0.770 -24.075 0.203 1070 HA SER1050 HA SER1050 1.231 -26.132 2.089 1071 1HB SER1050 HB1 SER1050 0.793 -23.744 2.664 1072 2HB SER1050 HB2 SER1050 -0.886 -23.971 2.178 1073 HG SER1050 HG SER1050 0.268 -24.520 4.525 1074 H ARG1051 H ARG1051 -1.573 -25.282 0.082 1075 HA ARG1051 HA ARG1051 -3.400 -26.450 -0.566 1076 1HB ARG1051 HB1 ARG1051 -1.744 -28.842 0.253 1077 2HB ARG1051 HB2 ARG1051 -3.228 -28.913 -0.691 1078 1HG ARG1051 HG1 ARG1051 -2.203 -27.699 -2.492 1079 2HG ARG1051 HG2 ARG1051 -0.745 -27.437 -1.534 1080 1HD ARG1051 HD1 ARG1051 -0.319 -29.833 -1.501 1081 2HD ARG1051 HD2 ARG1051 -1.799 -30.120 -2.416 1082 HE ARG1051 HE ARG1051 -0.336 -28.375 -3.944 1083 1HH1 ARG1051 2HH1 ARG1051 0.247 -31.551 -2.585 1084 2HH1 ARG1051 1HH1 ARG1051 1.250 -32.066 -3.905 1085 1HH2 ARG1051 2HH2 ARG1051 0.977 -29.049 -5.681 1086 2HH2 ARG1051 1HH2 ARG1051 1.666 -30.649 -5.662 1087 HA PRO1052 HA PRO1052 -5.237 -26.541 3.512 1088 1HB PRO1052 HB1 PRO1052 -7.596 -25.503 2.826 1089 2HB PRO1052 HB2 PRO1052 -6.126 -24.519 2.802 1090 1HG PRO1052 HG1 PRO1052 -7.556 -25.844 0.528 1091 2HG PRO1052 HG2 PRO1052 -6.867 -24.213 0.615 1092 1HD PRO1052 HD1 PRO1052 -5.608 -26.366 -0.549 1093 2HD PRO1052 HD2 PRO1052 -4.765 -24.947 0.102 1094 H HIS1053 H HIS1053 -5.216 -29.017 1.887 1095 HA HIS1053 HA HIS1053 -7.766 -30.122 2.830 1096 1HB HIS1053 HB1 HIS1053 -7.919 -29.683 0.370 1097 2HB HIS1053 HB2 HIS1053 -6.556 -30.769 0.126 1098 HD1 HIS1053 HD1 HIS1053 -10.197 -30.726 0.961 1099 HD2 HIS1053 HD2 HIS1053 -7.177 -33.508 0.285 1100 HE1 HIS1053 HE1 HIS1053 -11.356 -32.947 0.729 1101 HE2 HIS1053 HE2 HIS1053 -9.530 -34.573 0.109 Start of MODEL 19 1 1H ARG 920 H ARG 920 -7.128 -19.226 -4.298 2 HA ARG 920 HA ARG 920 -8.087 -19.250 -1.645 3 1HB ARG 920 HB1 ARG 920 -6.473 -17.646 -1.129 4 2HB ARG 920 HB2 ARG 920 -5.733 -18.583 -2.416 5 1HG ARG 920 HG1 ARG 920 -7.123 -15.942 -2.809 6 2HG ARG 920 HG2 ARG 920 -5.383 -16.139 -2.610 7 1HD ARG 920 HD1 ARG 920 -5.277 -17.483 -4.608 8 2HD ARG 920 HD2 ARG 920 -7.028 -17.399 -4.793 9 HE ARG 920 HE ARG 920 -5.716 -14.821 -4.723 10 1HH1 ARG 920 2HH1 ARG 920 -6.827 -17.456 -6.752 11 2HH1 ARG 920 1HH1 ARG 920 -6.900 -16.489 -8.186 12 1HH2 ARG 920 2HH2 ARG 920 -5.861 -13.530 -6.613 13 2HH2 ARG 920 1HH2 ARG 920 -6.358 -14.268 -8.111 14 H SER 921 H SER 921 -9.347 -17.785 -0.584 15 HA SER 921 HA SER 921 -11.168 -16.262 -2.237 16 1HB SER 921 HB1 SER 921 -11.036 -16.959 0.680 17 2HB SER 921 HB2 SER 921 -12.249 -15.846 0.046 18 HG SER 921 HG SER 921 -12.495 -18.393 0.155 19 H ASN 922 H ASN 922 -8.365 -15.446 -1.934 20 HA ASN 922 HA ASN 922 -7.029 -13.647 -1.479 21 1HB ASN 922 HB1 ASN 922 -9.122 -11.653 -1.751 22 2HB ASN 922 HB2 ASN 922 -7.663 -11.883 -2.701 23 1HD2 ASN 922 2HD2 ASN 922 -7.669 -13.435 -4.364 24 2HD2 ASN 922 1HD2 ASN 922 -9.144 -13.804 -5.215 25 H ASP 923 H ASP 923 -7.243 -14.484 0.720 26 HA ASP 923 HA ASP 923 -8.873 -13.729 2.737 27 1HB ASP 923 HB1 ASP 923 -6.728 -15.286 2.551 28 2HB ASP 923 HB2 ASP 923 -5.947 -13.898 3.292 29 H LYS 924 H LYS 924 -7.848 -12.558 4.724 30 HA LYS 924 HA LYS 924 -8.189 -9.900 4.722 31 1HB LYS 924 HB1 LYS 924 -7.578 -11.497 6.641 32 2HB LYS 924 HB2 LYS 924 -5.908 -11.109 6.279 33 1HG LYS 924 HG1 LYS 924 -7.868 -8.928 6.829 34 2HG LYS 924 HG2 LYS 924 -7.154 -9.843 8.154 35 1HD LYS 924 HD1 LYS 924 -4.919 -9.223 7.369 36 2HD LYS 924 HD2 LYS 924 -5.638 -8.305 6.044 37 1HE LYS 924 HE1 LYS 924 -5.046 -6.799 7.819 38 2HE LYS 924 HE2 LYS 924 -6.801 -6.897 7.697 39 1HZ LYS 924 HZ1 LYS 924 -6.012 -6.959 9.999 40 2HZ LYS 924 HZ2 LYS 924 -6.843 -8.381 9.586 41 3HZ LYS 924 HZ3 LYS 924 -5.147 -8.384 9.673 42 H VAL 925 H VAL 925 -5.412 -11.500 3.399 43 HA VAL 925 HA VAL 925 -3.610 -9.404 3.158 44 HB VAL 925 HB VAL 925 -2.815 -10.680 1.085 45 1HG1 VAL 925 1HG1 VAL 925 -1.909 -12.518 2.445 46 2HG1 VAL 925 2HG1 VAL 925 -1.825 -10.979 3.303 47 3HG1 VAL 925 3HG1 VAL 925 -3.075 -12.152 3.717 48 1HG2 VAL 925 1HG2 VAL 925 -4.955 -12.592 2.035 49 2HG2 VAL 925 2HG2 VAL 925 -4.919 -11.741 0.490 50 3HG2 VAL 925 3HG2 VAL 925 -3.702 -12.966 0.850 51 H TYR 926 H TYR 926 -6.201 -10.424 0.811 52 HA TYR 926 HA TYR 926 -5.430 -8.281 -1.018 53 1HB TYR 926 HB1 TYR 926 -6.347 -10.293 -1.946 54 2HB TYR 926 HB2 TYR 926 -7.738 -10.253 -0.874 55 HD1 TYR 926 HD1 TYR 926 -6.183 -8.621 -3.816 56 HD2 TYR 926 HD2 TYR 926 -9.695 -9.084 -1.460 57 HE1 TYR 926 HE1 TYR 926 -7.503 -7.504 -5.567 58 HE2 TYR 926 HE2 TYR 926 -11.022 -7.965 -3.200 59 HH TYR 926 HH TYR 926 -9.792 -7.359 -6.336 60 H GLU 927 H GLU 927 -7.505 -8.825 1.664 61 HA GLU 927 HA GLU 927 -9.430 -6.782 1.286 62 1HB GLU 927 HB1 GLU 927 -8.515 -8.385 3.659 63 2HB GLU 927 HB2 GLU 927 -9.784 -7.185 3.788 64 1HG GLU 927 HG1 GLU 927 -10.919 -8.475 1.886 65 2HG GLU 927 HG2 GLU 927 -9.775 -9.761 2.276 66 H ASN 928 H ASN 928 -6.621 -6.949 3.497 67 HA ASN 928 HA ASN 928 -7.046 -4.247 4.334 68 1HB ASN 928 HB1 ASN 928 -5.912 -6.184 5.626 69 2HB ASN 928 HB2 ASN 928 -4.469 -5.735 4.729 70 1HD2 ASN 928 2HD2 ASN 928 -5.109 -2.866 4.740 71 2HD2 ASN 928 1HD2 ASN 928 -4.824 -2.332 6.359 72 H VAL 929 H VAL 929 -4.916 -5.818 1.990 73 HA VAL 929 HA VAL 929 -3.379 -3.570 1.390 74 HB VAL 929 HB VAL 929 -2.991 -5.936 0.585 75 1HG1 VAL 929 1HG1 VAL 929 -4.890 -5.065 -1.581 76 2HG1 VAL 929 2HG1 VAL 929 -3.864 -6.499 -1.633 77 3HG1 VAL 929 3HG1 VAL 929 -5.144 -6.371 -0.425 78 1HG2 VAL 929 1HG2 VAL 929 -1.796 -5.179 -1.404 79 2HG2 VAL 929 2HG2 VAL 929 -2.717 -3.673 -1.383 80 3HG2 VAL 929 3HG2 VAL 929 -1.607 -4.049 -0.064 81 H THR 930 H THR 930 -6.580 -4.507 0.133 82 HA THR 930 HA THR 930 -6.752 -2.196 -1.539 83 HB THR 930 HB THR 930 -9.289 -2.621 -1.336 84 HG1 THR 930 HG1 THR 930 -8.500 -5.187 -0.440 85 1HG2 THR 930 1HG2 THR 930 -9.198 -4.482 -2.918 86 2HG2 THR 930 2HG2 THR 930 -7.966 -3.274 -3.284 87 3HG2 THR 930 3HG2 THR 930 -7.516 -4.778 -2.481 88 H GLY 931 H GLY 931 -7.529 -2.982 1.774 89 1HA GLY 931 HA1 GLY 931 -8.745 -0.619 2.607 90 2HA GLY 931 HA2 GLY 931 -7.739 -1.644 3.623 91 H LEU 932 H LEU 932 -5.334 -1.310 2.017 92 HA LEU 932 HA LEU 932 -4.276 1.080 3.044 93 1HB LEU 932 HB1 LEU 932 -2.638 -0.450 2.587 94 2HB LEU 932 HB2 LEU 932 -3.430 -1.026 1.134 95 HG LEU 932 HG LEU 932 -2.570 0.895 -0.118 96 1HD1 LEU 932 1HD1 LEU 932 -0.950 2.422 0.850 97 2HD1 LEU 932 2HD1 LEU 932 -2.498 2.547 1.683 98 3HD1 LEU 932 3HD1 LEU 932 -1.166 1.668 2.431 99 1HD2 LEU 932 1HD2 LEU 932 -0.457 -0.546 1.465 100 2HD2 LEU 932 2HD2 LEU 932 -1.250 -1.137 0.004 101 3HD2 LEU 932 3HD2 LEU 932 -0.213 0.287 -0.070 102 H VAL 933 H VAL 933 -5.433 0.235 -0.213 103 HA VAL 933 HA VAL 933 -5.184 2.810 -1.321 104 HB VAL 933 HB VAL 933 -7.220 0.684 -2.023 105 1HG1 VAL 933 1HG1 VAL 933 -7.832 2.843 -2.943 106 2HG1 VAL 933 2HG1 VAL 933 -6.210 3.048 -3.607 107 3HG1 VAL 933 3HG1 VAL 933 -7.265 1.777 -4.228 108 1HG2 VAL 933 1HG2 VAL 933 -5.630 0.034 -3.778 109 2HG2 VAL 933 2HG2 VAL 933 -4.464 1.191 -3.136 110 3HG2 VAL 933 3HG2 VAL 933 -4.964 -0.191 -2.159 111 H LYS 934 H LYS 934 -7.796 1.281 0.511 112 HA LYS 934 HA LYS 934 -9.696 3.339 0.311 113 1HB LYS 934 HB1 LYS 934 -9.295 1.595 2.749 114 2HB LYS 934 HB2 LYS 934 -10.771 2.398 2.250 115 1HG LYS 934 HG1 LYS 934 -9.444 0.111 0.806 116 2HG LYS 934 HG2 LYS 934 -10.834 -0.022 1.874 117 1HD LYS 934 HD1 LYS 934 -11.830 -0.009 -0.199 118 2HD LYS 934 HD2 LYS 934 -11.908 1.699 0.237 119 1HE LYS 934 HE1 LYS 934 -10.000 2.195 -1.131 120 2HE LYS 934 HE2 LYS 934 -9.714 0.481 -1.433 121 1HZ LYS 934 HZ1 LYS 934 -10.865 1.778 -3.246 122 2HZ LYS 934 HZ2 LYS 934 -11.613 0.334 -2.768 123 3HZ LYS 934 HZ3 LYS 934 -12.229 1.828 -2.235 124 H ALA 935 H ALA 935 -6.867 2.933 2.291 125 HA ALA 935 HA ALA 935 -7.509 5.120 4.046 126 1HB ALA 935 HB1 ALA 935 -6.254 3.189 4.868 127 2HB ALA 935 HB2 ALA 935 -4.934 3.595 3.770 128 3HB ALA 935 HB3 ALA 935 -5.366 4.698 5.075 129 H VAL 936 H VAL 936 -5.701 4.645 1.073 130 HA VAL 936 HA VAL 936 -4.613 7.288 1.247 131 HB VAL 936 HB VAL 936 -3.616 7.012 -0.787 132 1HG1 VAL 936 1HG1 VAL 936 -3.929 4.199 0.208 133 2HG1 VAL 936 2HG1 VAL 936 -2.673 4.771 -0.893 134 3HG1 VAL 936 3HG1 VAL 936 -2.747 5.387 0.759 135 1HG2 VAL 936 1HG2 VAL 936 -5.613 6.613 -2.136 136 2HG2 VAL 936 2HG2 VAL 936 -4.320 5.494 -2.574 137 3HG2 VAL 936 3HG2 VAL 936 -5.664 4.942 -1.573 138 H ILE 937 H ILE 937 -7.630 5.960 0.512 139 HA ILE 937 HA ILE 937 -8.661 8.200 -0.929 140 HB ILE 937 HB ILE 937 -10.093 6.145 0.770 141 1HG1 ILE 937 1HG1 ILE 937 -9.783 6.409 -2.231 142 2HG1 ILE 937 2HG1 ILE 937 -8.993 5.210 -1.214 143 1HG2 ILE 937 1HG2 ILE 937 -11.260 8.174 -1.138 144 2HG2 ILE 937 2HG2 ILE 937 -12.156 6.911 -0.294 145 3HG2 ILE 937 3HG2 ILE 937 -11.395 8.211 0.621 146 1HD1 ILE 937 1HD1 ILE 937 -11.166 4.253 -0.656 147 2HD1 ILE 937 2HD1 ILE 937 -11.955 5.453 -1.679 148 3HD1 ILE 937 3HD1 ILE 937 -10.880 4.254 -2.396 149 H GLU 938 H GLU 938 -8.228 7.323 2.432 150 HA GLU 938 HA GLU 938 -9.394 9.469 3.730 151 1HB GLU 938 HB1 GLU 938 -6.676 8.290 4.358 152 2HB GLU 938 HB2 GLU 938 -7.672 9.237 5.455 153 1HG GLU 938 HG1 GLU 938 -8.469 6.577 4.299 154 2HG GLU 938 HG2 GLU 938 -7.750 6.805 5.891 155 H MET 939 H MET 939 -6.202 9.277 2.177 156 HA MET 939 HA MET 939 -5.369 11.846 2.993 157 1HB MET 939 HB1 MET 939 -3.474 11.578 1.704 158 2HB MET 939 HB2 MET 939 -3.951 9.909 1.969 159 1HG MET 939 HG1 MET 939 -4.910 9.794 -0.241 160 2HG MET 939 HG2 MET 939 -4.572 11.503 -0.506 161 1HE MET 939 HE1 MET 939 -3.444 10.750 -2.820 162 2HE MET 939 HE2 MET 939 -2.097 9.614 -2.922 163 3HE MET 939 HE3 MET 939 -3.699 9.046 -2.449 164 H SER 940 H SER 940 -7.097 10.763 0.095 165 HA SER 940 HA SER 940 -6.957 13.273 -1.209 166 1HB SER 940 HB1 SER 940 -8.954 12.251 -2.527 167 2HB SER 940 HB2 SER 940 -7.362 11.507 -2.666 168 HG SER 940 HG SER 940 -9.683 10.536 -1.543 169 H SER 941 H SER 941 -9.105 11.943 1.195 170 HA SER 941 HA SER 941 -11.141 13.960 0.753 171 1HB SER 941 HB1 SER 941 -10.855 12.014 3.065 172 2HB SER 941 HB2 SER 941 -12.304 12.911 2.607 173 HG SER 941 HG SER 941 -11.056 10.747 1.281 174 H LYS 942 H LYS 942 -8.631 13.097 2.964 175 HA LYS 942 HA LYS 942 -8.896 15.055 4.914 176 1HB LYS 942 HB1 LYS 942 -7.594 13.036 5.198 177 2HB LYS 942 HB2 LYS 942 -6.515 13.496 3.896 178 1HG LYS 942 HG1 LYS 942 -5.519 13.755 6.107 179 2HG LYS 942 HG2 LYS 942 -5.605 15.280 5.221 180 1HD LYS 942 HD1 LYS 942 -6.222 15.637 7.492 181 2HD LYS 942 HD2 LYS 942 -7.645 15.836 6.452 182 1HE LYS 942 HE1 LYS 942 -8.310 14.599 8.403 183 2HE LYS 942 HE2 LYS 942 -8.295 13.496 7.028 184 1HZ LYS 942 HZ1 LYS 942 -6.170 13.751 9.088 185 2HZ LYS 942 HZ2 LYS 942 -7.281 12.475 8.954 186 3HZ LYS 942 HZ3 LYS 942 -6.117 12.711 7.751 187 H ILE 943 H ILE 943 -7.112 15.094 1.843 188 HA ILE 943 HA ILE 943 -5.867 17.607 2.372 189 HB ILE 943 HB ILE 943 -4.961 15.867 0.817 190 1HG1 ILE 943 1HG1 ILE 943 -4.385 18.408 0.793 191 2HG1 ILE 943 2HG1 ILE 943 -3.816 17.378 -0.511 192 1HG2 ILE 943 1HG2 ILE 943 -7.099 16.861 -1.050 193 2HG2 ILE 943 2HG2 ILE 943 -5.772 15.785 -1.485 194 3HG2 ILE 943 3HG2 ILE 943 -6.995 15.254 -0.331 195 1HD1 ILE 943 1HD1 ILE 943 -4.628 19.489 -1.362 196 2HD1 ILE 943 2HD1 ILE 943 -5.650 18.166 -1.923 197 3HD1 ILE 943 3HD1 ILE 943 -6.201 19.211 -0.614 198 H GLN 944 H GLN 944 -8.890 16.623 0.902 199 HA GLN 944 HA GLN 944 -9.514 18.786 -0.668 200 1HB GLN 944 HB1 GLN 944 -11.322 17.059 1.003 201 2HB GLN 944 HB2 GLN 944 -11.937 18.293 -0.087 202 1HG GLN 944 HG1 GLN 944 -10.905 17.178 -1.970 203 2HG GLN 944 HG2 GLN 944 -10.204 15.973 -0.892 204 1HE2 GLN 944 2HE2 GLN 944 -11.230 14.276 -1.892 205 2HE2 GLN 944 1HE2 GLN 944 -12.929 13.993 -1.747 206 HA PRO 945 HA PRO 945 -11.358 21.428 2.672 207 1HB PRO 945 HB1 PRO 945 -12.246 20.472 4.997 208 2HB PRO 945 HB2 PRO 945 -13.046 20.054 3.478 209 1HG PRO 945 HG1 PRO 945 -11.348 18.389 5.223 210 2HG PRO 945 HG2 PRO 945 -12.577 17.894 4.048 211 1HD PRO 945 HD1 PRO 945 -9.704 18.039 3.709 212 2HD PRO 945 HD2 PRO 945 -10.922 17.427 2.572 213 H ALA 946 H ALA 946 -8.462 20.227 3.168 214 HA ALA 946 HA ALA 946 -8.020 21.527 5.769 215 1HB ALA 946 HB1 ALA 946 -7.695 19.112 5.811 216 2HB ALA 946 HB2 ALA 946 -6.483 19.255 4.536 217 3HB ALA 946 HB3 ALA 946 -6.189 19.979 6.117 218 HA PRO 947 HA PRO 947 -4.815 24.019 3.834 219 1HB PRO 947 HB1 PRO 947 -3.697 24.503 6.451 220 2HB PRO 947 HB2 PRO 947 -4.675 25.594 5.468 221 1HG PRO 947 HG1 PRO 947 -5.514 24.499 7.836 222 2HG PRO 947 HG2 PRO 947 -6.608 25.031 6.546 223 1HD PRO 947 HD1 PRO 947 -5.652 22.269 7.203 224 2HD PRO 947 HD2 PRO 947 -7.276 22.818 6.727 225 HA PRO 948 HA PRO 948 -0.971 21.786 3.616 226 1HB PRO 948 HB1 PRO 948 0.907 23.382 4.927 227 2HB PRO 948 HB2 PRO 948 0.466 23.493 3.221 228 1HG PRO 948 HG1 PRO 948 -0.500 25.105 5.541 229 2HG PRO 948 HG2 PRO 948 -0.148 25.627 3.883 230 1HD PRO 948 HD1 PRO 948 -2.660 25.299 4.702 231 2HD PRO 948 HD2 PRO 948 -2.172 24.805 3.067 232 H GLU 949 H GLU 949 -1.825 23.000 6.771 233 HA GLU 949 HA GLU 949 -0.100 21.516 8.366 234 1HB GLU 949 HB1 GLU 949 -2.952 22.328 8.905 235 2HB GLU 949 HB2 GLU 949 -1.847 21.701 10.120 236 1HG GLU 949 HG1 GLU 949 -0.323 23.633 9.504 237 2HG GLU 949 HG2 GLU 949 -1.703 24.295 8.632 238 H GLU 950 H GLU 950 -3.289 20.606 7.025 239 HA GLU 950 HA GLU 950 -2.822 17.902 7.995 240 1HB GLU 950 HB1 GLU 950 -5.227 19.144 6.707 241 2HB GLU 950 HB2 GLU 950 -5.072 17.408 6.942 242 1HG GLU 950 HG1 GLU 950 -6.279 18.033 8.788 243 2HG GLU 950 HG2 GLU 950 -4.635 18.044 9.418 244 H TYR 951 H TYR 951 -1.943 19.615 5.340 245 HA TYR 951 HA TYR 951 -2.222 17.747 3.279 246 1HB TYR 951 HB1 TYR 951 -0.316 19.943 3.876 247 2HB TYR 951 HB2 TYR 951 0.240 18.719 2.740 248 HD1 TYR 951 HD1 TYR 951 0.201 19.709 0.654 249 HD2 TYR 951 HD2 TYR 951 -3.169 20.204 3.203 250 HE1 TYR 951 HE1 TYR 951 -1.010 20.806 -1.176 251 HE2 TYR 951 HE2 TYR 951 -4.394 21.309 1.376 252 HH TYR 951 HH TYR 951 -3.939 22.502 -0.703 253 H VAL 952 H VAL 952 0.259 18.028 5.833 254 HA VAL 952 HA VAL 952 1.443 15.560 5.004 255 HB VAL 952 HB VAL 952 3.039 16.807 6.040 256 1HG1 VAL 952 1HG1 VAL 952 2.824 17.935 8.218 257 2HG1 VAL 952 2HG1 VAL 952 1.677 18.530 7.020 258 3HG1 VAL 952 3HG1 VAL 952 1.135 17.430 8.289 259 1HG2 VAL 952 1HG2 VAL 952 3.159 14.555 6.897 260 2HG2 VAL 952 2HG2 VAL 952 3.676 15.697 8.136 261 3HG2 VAL 952 3HG2 VAL 952 2.073 14.970 8.224 262 HA PRO 953 HA PRO 953 -1.212 13.634 8.765 263 1HB PRO 953 HB1 PRO 953 -3.482 15.470 8.169 264 2HB PRO 953 HB2 PRO 953 -3.104 14.600 9.667 265 1HG PRO 953 HG1 PRO 953 -2.507 17.163 9.473 266 2HG PRO 953 HG2 PRO 953 -1.353 16.038 10.215 267 1HD PRO 953 HD1 PRO 953 -1.290 17.316 7.524 268 2HD PRO 953 HD2 PRO 953 0.050 16.900 8.608 269 H MET 954 H MET 954 -2.504 14.973 5.684 270 HA MET 954 HA MET 954 -4.288 12.816 5.312 271 1HB MET 954 HB1 MET 954 -4.579 13.486 3.065 272 2HB MET 954 HB2 MET 954 -4.276 14.974 3.945 273 1HG MET 954 HG1 MET 954 -2.298 15.341 2.930 274 2HG MET 954 HG2 MET 954 -1.953 13.626 2.716 275 1HE MET 954 HE1 MET 954 -1.065 15.212 0.389 276 2HE MET 954 HE2 MET 954 -1.216 13.456 0.310 277 3HE MET 954 HE3 MET 954 -1.863 14.455 -0.991 278 H VAL 955 H VAL 955 -1.012 13.391 4.134 279 HA VAL 955 HA VAL 955 -0.595 10.821 3.148 280 HB VAL 955 HB VAL 955 0.905 13.079 3.143 281 1HG1 VAL 955 1HG1 VAL 955 2.342 11.199 5.001 282 2HG1 VAL 955 2HG1 VAL 955 3.044 12.624 4.234 283 3HG1 VAL 955 3HG1 VAL 955 1.732 12.806 5.400 284 1HG2 VAL 955 1HG2 VAL 955 0.985 11.343 1.488 285 2HG2 VAL 955 2HG2 VAL 955 2.623 11.730 2.016 286 3HG2 VAL 955 3HG2 VAL 955 1.827 10.270 2.605 287 H LYS 956 H LYS 956 -0.677 11.989 6.416 288 HA LYS 956 HA LYS 956 0.787 9.876 7.639 289 1HB LYS 956 HB1 LYS 956 0.115 11.919 8.841 290 2HB LYS 956 HB2 LYS 956 -1.571 11.456 8.690 291 1HG LYS 956 HG1 LYS 956 -1.088 9.445 10.056 292 2HG LYS 956 HG2 LYS 956 0.552 10.058 10.296 293 1HD LYS 956 HD1 LYS 956 -1.974 11.531 11.044 294 2HD LYS 956 HD2 LYS 956 -0.976 10.608 12.168 295 1HE LYS 956 HE1 LYS 956 0.139 12.859 10.517 296 2HE LYS 956 HE2 LYS 956 -0.628 13.138 12.079 297 1HZ LYS 956 HZ1 LYS 956 1.857 12.883 12.098 298 2HZ LYS 956 HZ2 LYS 956 1.012 11.876 13.170 299 3HZ LYS 956 HZ3 LYS 956 1.627 11.244 11.720 300 H GLU 957 H GLU 957 -2.528 10.273 6.622 301 HA GLU 957 HA GLU 957 -3.628 7.908 7.549 302 1HB GLU 957 HB1 GLU 957 -4.346 9.330 4.984 303 2HB GLU 957 HB2 GLU 957 -5.358 8.184 5.852 304 1HG GLU 957 HG1 GLU 957 -4.502 10.919 6.761 305 2HG GLU 957 HG2 GLU 957 -6.128 10.389 6.333 306 H VAL 958 H VAL 958 -2.074 8.452 4.320 307 HA VAL 958 HA VAL 958 -2.311 5.749 3.548 308 HB VAL 958 HB VAL 958 -0.735 6.135 1.794 309 1HG1 VAL 958 1HG1 VAL 958 -2.356 8.617 2.329 310 2HG1 VAL 958 2HG1 VAL 958 -1.616 8.200 0.782 311 3HG1 VAL 958 3HG1 VAL 958 -2.874 7.171 1.466 312 1HG2 VAL 958 1HG2 VAL 958 1.045 7.207 3.063 313 2HG2 VAL 958 2HG2 VAL 958 0.629 8.150 1.632 314 3HG2 VAL 958 3HG2 VAL 958 0.068 8.667 3.221 315 H GLY 959 H GLY 959 0.018 7.331 5.630 316 1HA GLY 959 HA1 GLY 959 1.980 5.263 5.542 317 2HA GLY 959 HA2 GLY 959 1.821 6.483 6.798 318 H LEU 960 H LEU 960 -0.613 5.998 7.838 319 HA LEU 960 HA LEU 960 -0.484 3.721 9.432 320 1HB LEU 960 HB1 LEU 960 -1.956 5.561 9.953 321 2HB LEU 960 HB2 LEU 960 -2.856 5.321 8.469 322 HG LEU 960 HG LEU 960 -3.581 3.086 9.376 323 1HD1 LEU 960 1HD1 LEU 960 -1.830 2.757 11.017 324 2HD1 LEU 960 2HD1 LEU 960 -2.373 4.178 11.910 325 3HD1 LEU 960 3HD1 LEU 960 -3.410 2.756 11.798 326 1HD2 LEU 960 1HD2 LEU 960 -5.042 5.034 9.413 327 2HD2 LEU 960 2HD2 LEU 960 -5.274 4.044 10.855 328 3HD2 LEU 960 3HD2 LEU 960 -4.345 5.540 10.952 329 H ALA 961 H ALA 961 -1.877 4.207 6.292 330 HA ALA 961 HA ALA 961 -3.313 1.850 5.994 331 1HB ALA 961 HB1 ALA 961 -3.121 2.203 3.601 332 2HB ALA 961 HB2 ALA 961 -3.450 3.717 4.443 333 3HB ALA 961 HB3 ALA 961 -1.820 3.364 3.868 334 H LEU 962 H LEU 962 0.065 2.420 4.823 335 HA LEU 962 HA LEU 962 0.505 -0.279 4.187 336 1HB LEU 962 HB1 LEU 962 1.957 1.300 3.238 337 2HB LEU 962 HB2 LEU 962 2.372 1.984 4.801 338 HG LEU 962 HG LEU 962 3.550 -0.164 5.347 339 1HD1 LEU 962 1HD1 LEU 962 2.396 -1.634 3.813 340 2HD1 LEU 962 2HD1 LEU 962 3.043 -0.741 2.436 341 3HD1 LEU 962 3HD1 LEU 962 4.130 -1.649 3.485 342 1HD2 LEU 962 1HD2 LEU 962 4.527 1.304 2.904 343 2HD2 LEU 962 2HD2 LEU 962 4.770 1.804 4.577 344 3HD2 LEU 962 3HD2 LEU 962 5.513 0.317 3.984 345 H ARG 963 H ARG 963 1.030 1.456 7.269 346 HA ARG 963 HA ARG 963 2.306 -0.669 8.574 347 1HB ARG 963 HB1 ARG 963 0.493 1.437 9.748 348 2HB ARG 963 HB2 ARG 963 1.493 0.342 10.692 349 1HG ARG 963 HG1 ARG 963 3.449 1.298 9.305 350 2HG ARG 963 HG2 ARG 963 2.326 2.604 8.926 351 1HD ARG 963 HD1 ARG 963 3.321 1.753 11.635 352 2HD ARG 963 HD2 ARG 963 3.600 3.288 10.816 353 HE ARG 963 HE ARG 963 1.044 2.410 11.991 354 1HH1 ARG 963 2HH1 ARG 963 3.133 4.951 10.771 355 2HH1 ARG 963 1HH1 ARG 963 2.086 6.228 11.319 356 1HH2 ARG 963 2HH2 ARG 963 -0.303 4.085 12.721 357 2HH2 ARG 963 1HH2 ARG 963 0.146 5.741 12.424 358 H THR 964 H THR 964 -1.173 0.145 8.584 359 HA THR 964 HA THR 964 -2.107 -2.169 9.811 360 HB THR 964 HB THR 964 -3.513 -0.919 7.447 361 HG1 THR 964 HG1 THR 964 -3.065 0.849 8.652 362 1HG2 THR 964 1HG2 THR 964 -4.554 -2.908 8.451 363 2HG2 THR 964 2HG2 THR 964 -4.530 -2.120 10.029 364 3HG2 THR 964 3HG2 THR 964 -5.526 -1.464 8.730 365 H LEU 965 H LEU 965 -1.192 -1.617 6.461 366 HA LEU 965 HA LEU 965 -1.838 -4.139 5.412 367 1HB LEU 965 HB1 LEU 965 -1.337 -2.234 3.999 368 2HB LEU 965 HB2 LEU 965 0.306 -2.179 4.607 369 HG LEU 965 HG LEU 965 0.752 -4.373 3.567 370 1HD1 LEU 965 1HD1 LEU 965 -2.037 -4.060 2.477 371 2HD1 LEU 965 2HD1 LEU 965 -0.868 -5.273 1.960 372 3HD1 LEU 965 3HD1 LEU 965 -1.488 -5.291 3.612 373 1HD2 LEU 965 1HD2 LEU 965 0.800 -3.578 1.277 374 2HD2 LEU 965 2HD2 LEU 965 -0.367 -2.314 1.673 375 3HD2 LEU 965 3HD2 LEU 965 1.246 -2.284 2.389 376 H LEU 966 H LEU 966 0.807 -3.060 7.360 377 HA LEU 966 HA LEU 966 2.623 -5.176 6.826 378 1HB LEU 966 HB1 LEU 966 2.329 -3.449 9.281 379 2HB LEU 966 HB2 LEU 966 3.645 -4.579 9.026 380 HG LEU 966 HG LEU 966 3.047 -2.149 7.333 381 1HD1 LEU 966 1HD1 LEU 966 3.951 -1.559 9.503 382 2HD1 LEU 966 2HD1 LEU 966 5.264 -2.717 9.294 383 3HD1 LEU 966 3HD1 LEU 966 5.161 -1.302 8.247 384 1HD2 LEU 966 1HD2 LEU 966 5.159 -2.659 6.208 385 2HD2 LEU 966 2HD2 LEU 966 5.305 -4.143 7.150 386 3HD2 LEU 966 3HD2 LEU 966 3.986 -3.959 5.995 387 H ALA 967 H ALA 967 -0.140 -4.854 8.949 388 HA ALA 967 HA ALA 967 0.182 -7.279 10.370 389 1HB ALA 967 HB1 ALA 967 -2.203 -7.155 10.812 390 2HB ALA 967 HB2 ALA 967 -1.471 -5.561 10.990 391 3HB ALA 967 HB3 ALA 967 -2.397 -5.948 9.541 392 H THR 968 H THR 968 -1.340 -6.503 7.277 393 HA THR 968 HA THR 968 -2.125 -9.113 6.539 394 HB THR 968 HB THR 968 -1.425 -6.643 4.987 395 HG1 THR 968 HG1 THR 968 -3.823 -8.065 4.756 396 1HG2 THR 968 1HG2 THR 968 -2.074 -7.754 2.906 397 2HG2 THR 968 2HG2 THR 968 -0.622 -8.479 3.596 398 3HG2 THR 968 3HG2 THR 968 -2.175 -9.296 3.757 399 H VAL 969 H VAL 969 0.873 -7.331 5.986 400 HA VAL 969 HA VAL 969 2.312 -9.213 4.573 401 HB VAL 969 HB VAL 969 3.372 -7.311 6.670 402 1HG1 VAL 969 1HG1 VAL 969 5.028 -9.015 6.205 403 2HG1 VAL 969 2HG1 VAL 969 4.824 -8.775 4.471 404 3HG1 VAL 969 3HG1 VAL 969 5.516 -7.491 5.463 405 1HG2 VAL 969 1HG2 VAL 969 2.131 -6.191 4.899 406 2HG2 VAL 969 2HG2 VAL 969 3.857 -5.845 4.772 407 3HG2 VAL 969 3HG2 VAL 969 3.108 -7.012 3.682 408 H ASP 970 H ASP 970 1.563 -9.175 7.993 409 HA ASP 970 HA ASP 970 3.471 -11.203 8.693 410 1HB ASP 970 HB1 ASP 970 2.710 -9.532 10.333 411 2HB ASP 970 HB2 ASP 970 1.070 -10.158 10.212 412 H GLU 971 H GLU 971 0.180 -11.215 7.644 413 HA GLU 971 HA GLU 971 -0.288 -13.990 8.189 414 1HB GLU 971 HB1 GLU 971 -1.477 -12.209 6.049 415 2HB GLU 971 HB2 GLU 971 -2.103 -13.782 6.533 416 1HG GLU 971 HG1 GLU 971 -1.852 -11.403 8.346 417 2HG GLU 971 HG2 GLU 971 -3.336 -11.890 7.511 418 H SER 972 H SER 972 0.711 -12.154 5.405 419 HA SER 972 HA SER 972 1.172 -14.342 3.694 420 1HB SER 972 HB1 SER 972 0.676 -12.145 2.835 421 2HB SER 972 HB2 SER 972 2.131 -11.484 3.593 422 HG SER 972 HG SER 972 3.246 -13.162 2.246 423 H LEU 973 H LEU 973 3.094 -12.854 6.160 424 HA LEU 973 HA LEU 973 5.657 -13.491 5.215 425 1HB LEU 973 HB1 LEU 973 4.880 -12.000 7.218 426 2HB LEU 973 HB2 LEU 973 5.010 -13.479 8.146 427 HG LEU 973 HG LEU 973 7.311 -12.344 6.557 428 1HD1 LEU 973 1HD1 LEU 973 6.652 -11.934 9.470 429 2HD1 LEU 973 2HD1 LEU 973 8.141 -11.436 8.667 430 3HD1 LEU 973 3HD1 LEU 973 6.604 -10.703 8.207 431 1HD2 LEU 973 1HD2 LEU 973 7.196 -14.334 8.823 432 2HD2 LEU 973 2HD2 LEU 973 7.495 -14.712 7.126 433 3HD2 LEU 973 3HD2 LEU 973 8.661 -13.748 8.033 434 HA PRO 974 HA PRO 974 5.335 -17.773 7.540 435 1HB PRO 974 HB1 PRO 974 2.376 -18.052 7.565 436 2HB PRO 974 HB2 PRO 974 3.570 -18.620 8.739 437 1HG PRO 974 HG1 PRO 974 2.046 -16.513 9.282 438 2HG PRO 974 HG2 PRO 974 3.757 -16.539 9.750 439 1HD PRO 974 HD1 PRO 974 2.439 -15.151 7.453 440 2HD PRO 974 HD2 PRO 974 3.729 -14.574 8.527 441 H VAL 975 H VAL 975 2.989 -16.497 5.240 442 HA VAL 975 HA VAL 975 3.073 -18.918 3.628 443 HB VAL 975 HB VAL 975 2.164 -16.272 2.544 444 1HG1 VAL 975 1HG1 VAL 975 2.275 -18.146 1.003 445 2HG1 VAL 975 2HG1 VAL 975 1.301 -19.131 2.096 446 3HG1 VAL 975 3HG1 VAL 975 0.594 -17.717 1.315 447 1HG2 VAL 975 1HG2 VAL 975 1.112 -16.474 4.728 448 2HG2 VAL 975 2HG2 VAL 975 -0.071 -16.728 3.446 449 3HG2 VAL 975 3HG2 VAL 975 0.575 -18.107 4.335 450 H LEU 976 H LEU 976 5.151 -16.318 4.094 451 HA LEU 976 HA LEU 976 6.376 -16.141 1.561 452 1HB LEU 976 HB1 LEU 976 6.739 -14.362 3.044 453 2HB LEU 976 HB2 LEU 976 7.259 -15.415 4.340 454 HG LEU 976 HG LEU 976 8.935 -15.126 1.862 455 1HD1 LEU 976 1HD1 LEU 976 10.119 -13.278 2.932 456 2HD1 LEU 976 2HD1 LEU 976 8.439 -12.856 2.603 457 3HD1 LEU 976 3HD1 LEU 976 8.937 -13.273 4.242 458 1HD2 LEU 976 1HD2 LEU 976 10.760 -15.568 3.420 459 2HD2 LEU 976 2HD2 LEU 976 9.616 -15.624 4.761 460 3HD2 LEU 976 3HD2 LEU 976 9.551 -16.850 3.495 461 HA PRO 977 HA PRO 977 9.527 -19.517 3.040 462 1HB PRO 977 HB1 PRO 977 8.694 -21.114 5.110 463 2HB PRO 977 HB2 PRO 977 9.808 -19.755 5.296 464 1HG PRO 977 HG1 PRO 977 6.875 -19.890 5.825 465 2HG PRO 977 HG2 PRO 977 8.149 -19.080 6.755 466 1HD PRO 977 HD1 PRO 977 6.499 -17.729 5.109 467 2HD PRO 977 HD2 PRO 977 8.191 -17.253 5.348 468 H ALA 978 H ALA 978 6.048 -19.864 3.363 469 HA ALA 978 HA ALA 978 5.842 -22.450 2.254 470 1HB ALA 978 HB1 ALA 978 3.536 -21.899 1.780 471 2HB ALA 978 HB2 ALA 978 3.976 -21.284 3.372 472 3HB ALA 978 HB3 ALA 978 3.870 -20.182 1.999 473 H SER 979 H SER 979 5.410 -19.273 0.626 474 HA SER 979 HA SER 979 6.832 -20.133 -1.706 475 1HB SER 979 HB1 SER 979 3.811 -20.092 -1.754 476 2HB SER 979 HB2 SER 979 4.768 -19.897 -3.227 477 HG SER 979 HG SER 979 5.559 -22.015 -1.673 478 H THR 980 H THR 980 4.701 -17.827 -0.174 479 HA THR 980 HA THR 980 4.500 -15.853 -2.085 480 HB THR 980 HB THR 980 4.588 -15.360 0.882 481 HG1 THR 980 HG1 THR 980 2.407 -15.894 0.813 482 1HG2 THR 980 1HG2 THR 980 3.175 -13.929 -1.375 483 2HG2 THR 980 2HG2 THR 980 3.053 -13.531 0.339 484 3HG2 THR 980 3HG2 THR 980 4.590 -13.333 -0.504 485 H HIS 981 H HIS 981 7.346 -16.536 -0.243 486 HA HIS 981 HA HIS 981 8.438 -14.082 0.247 487 1HB HIS 981 HB1 HIS 981 10.662 -15.112 0.134 488 2HB HIS 981 HB2 HIS 981 9.513 -16.145 0.970 489 HD1 HIS 981 HD1 HIS 981 9.374 -18.502 0.180 490 HD2 HIS 981 HD2 HIS 981 11.232 -16.022 -2.585 491 HE1 HIS 981 HE1 HIS 981 10.204 -20.020 -1.645 492 HE2 HIS 981 HE2 HIS 981 11.500 -18.517 -3.195 493 H ARG 982 H ARG 982 7.921 -15.403 -2.866 494 HA ARG 982 HA ARG 982 9.973 -13.882 -4.203 495 1HB ARG 982 HB1 ARG 982 7.518 -15.264 -5.308 496 2HB ARG 982 HB2 ARG 982 8.810 -14.571 -6.283 497 1HG ARG 982 HG1 ARG 982 10.394 -16.142 -5.432 498 2HG ARG 982 HG2 ARG 982 9.230 -16.748 -4.253 499 1HD ARG 982 HD1 ARG 982 9.337 -18.313 -6.045 500 2HD ARG 982 HD2 ARG 982 7.794 -17.472 -6.151 501 HE ARG 982 HE ARG 982 9.604 -16.121 -7.783 502 1HH1 ARG 982 2HH1 ARG 982 8.060 -19.255 -7.592 503 2HH1 ARG 982 1HH1 ARG 982 8.100 -19.525 -9.314 504 1HH2 ARG 982 2HH2 ARG 982 9.667 -16.457 -10.040 505 2HH2 ARG 982 1HH2 ARG 982 8.971 -17.907 -10.716 506 H GLU 983 H GLU 983 6.390 -13.577 -4.093 507 HA GLU 983 HA GLU 983 6.513 -10.955 -5.225 508 1HB GLU 983 HB1 GLU 983 4.372 -12.743 -4.455 509 2HB GLU 983 HB2 GLU 983 4.061 -11.099 -3.974 510 1HG GLU 983 HG1 GLU 983 3.146 -11.294 -6.087 511 2HG GLU 983 HG2 GLU 983 4.656 -10.408 -6.286 512 H ILE 984 H ILE 984 6.061 -12.208 -1.958 513 HA ILE 984 HA ILE 984 5.179 -9.798 -0.852 514 HB ILE 984 HB ILE 984 5.051 -12.080 0.218 515 1HG1 ILE 984 1HG1 ILE 984 4.640 -9.832 1.390 516 2HG1 ILE 984 2HG1 ILE 984 4.911 -11.240 2.406 517 1HG2 ILE 984 1HG2 ILE 984 7.346 -12.770 -0.064 518 2HG2 ILE 984 2HG2 ILE 984 7.896 -11.469 0.992 519 3HG2 ILE 984 3HG2 ILE 984 6.912 -12.779 1.645 520 1HD1 ILE 984 1HD1 ILE 984 6.068 -9.309 3.284 521 2HD1 ILE 984 2HD1 ILE 984 7.230 -10.524 2.752 522 3HD1 ILE 984 3HD1 ILE 984 6.927 -9.099 1.757 523 H GLU 985 H GLU 985 8.399 -11.040 -1.493 524 HA GLU 985 HA GLU 985 9.705 -8.840 -0.233 525 1HB GLU 985 HB1 GLU 985 10.683 -10.919 -2.172 526 2HB GLU 985 HB2 GLU 985 11.712 -9.627 -1.568 527 1HG GLU 985 HG1 GLU 985 11.158 -10.426 0.753 528 2HG GLU 985 HG2 GLU 985 10.404 -11.833 0.004 529 H MET 986 H MET 986 8.406 -9.406 -3.484 530 HA MET 986 HA MET 986 9.948 -7.342 -4.660 531 1HB MET 986 HB1 MET 986 8.872 -7.712 -6.655 532 2HB MET 986 HB2 MET 986 8.776 -9.273 -5.865 533 1HG MET 986 HG1 MET 986 6.476 -8.936 -5.332 534 2HG MET 986 HG2 MET 986 6.540 -7.263 -5.887 535 1HE MET 986 HE1 MET 986 4.303 -8.782 -8.683 536 2HE MET 986 HE2 MET 986 4.241 -9.069 -6.944 537 3HE MET 986 HE3 MET 986 4.529 -7.441 -7.558 538 H ALA 987 H ALA 987 6.549 -7.370 -3.603 539 HA ALA 987 HA ALA 987 6.283 -4.595 -4.263 540 1HB ALA 987 HB1 ALA 987 4.003 -4.791 -3.549 541 2HB ALA 987 HB2 ALA 987 4.426 -6.150 -4.589 542 3HB ALA 987 HB3 ALA 987 4.327 -6.373 -2.843 543 H GLN 988 H GLN 988 6.756 -6.468 -1.296 544 HA GLN 988 HA GLN 988 6.041 -4.458 0.505 545 1HB GLN 988 HB1 GLN 988 6.430 -6.691 1.318 546 2HB GLN 988 HB2 GLN 988 8.105 -6.648 0.792 547 1HG GLN 988 HG1 GLN 988 8.005 -6.395 3.176 548 2HG GLN 988 HG2 GLN 988 8.558 -4.885 2.455 549 1HE2 GLN 988 2HE2 GLN 988 7.934 -3.683 4.254 550 2HE2 GLN 988 1HE2 GLN 988 6.273 -3.366 4.609 551 H LYS 989 H LYS 989 9.228 -5.173 -0.928 552 HA LYS 989 HA LYS 989 10.557 -2.972 0.287 553 1HB LYS 989 HB1 LYS 989 11.208 -4.545 -2.211 554 2HB LYS 989 HB2 LYS 989 12.274 -3.338 -1.503 555 1HG LYS 989 HG1 LYS 989 11.342 -5.873 -0.173 556 2HG LYS 989 HG2 LYS 989 12.940 -5.585 -0.867 557 1HD LYS 989 HD1 LYS 989 13.338 -3.802 0.742 558 2HD LYS 989 HD2 LYS 989 11.721 -4.027 1.413 559 1HE LYS 989 HE1 LYS 989 13.386 -5.109 2.810 560 2HE LYS 989 HE2 LYS 989 12.315 -6.304 2.080 561 1HZ LYS 989 HZ1 LYS 989 14.665 -6.950 2.023 562 2HZ LYS 989 HZ2 LYS 989 13.999 -6.835 0.472 563 3HZ LYS 989 HZ3 LYS 989 15.014 -5.602 1.055 564 H LEU 990 H LEU 990 8.550 -3.361 -2.471 565 HA LEU 990 HA LEU 990 9.129 -0.858 -3.703 566 1HB LEU 990 HB1 LEU 990 8.223 -2.266 -5.226 567 2HB LEU 990 HB2 LEU 990 7.260 -3.111 -4.035 568 HG LEU 990 HG LEU 990 5.643 -1.241 -4.081 569 1HD1 LEU 990 1HD1 LEU 990 7.318 -0.311 -6.414 570 2HD1 LEU 990 2HD1 LEU 990 5.751 0.349 -5.949 571 3HD1 LEU 990 3HD1 LEU 990 7.137 0.526 -4.871 572 1HD2 LEU 990 1HD2 LEU 990 6.216 -2.600 -6.700 573 2HD2 LEU 990 2HD2 LEU 990 5.250 -3.237 -5.367 574 3HD2 LEU 990 3HD2 LEU 990 4.694 -1.823 -6.263 575 H LEU 991 H LEU 991 6.656 -2.016 -1.430 576 HA LEU 991 HA LEU 991 5.085 0.291 -1.223 577 1HB LEU 991 HB1 LEU 991 5.784 -1.588 1.033 578 2HB LEU 991 HB2 LEU 991 4.382 -0.541 0.931 579 HG LEU 991 HG LEU 991 4.772 -2.669 -1.125 580 1HD1 LEU 991 1HD1 LEU 991 3.498 -4.215 0.304 581 2HD1 LEU 991 2HD1 LEU 991 5.062 -3.812 1.014 582 3HD1 LEU 991 3HD1 LEU 991 3.592 -3.057 1.630 583 1HD2 LEU 991 1HD2 LEU 991 2.999 -1.054 -1.449 584 2HD2 LEU 991 2HD2 LEU 991 2.312 -2.634 -1.068 585 3HD2 LEU 991 3HD2 LEU 991 2.375 -1.378 0.169 586 H ASN 992 H ASN 992 7.900 -0.775 0.626 587 HA ASN 992 HA ASN 992 7.995 1.303 2.457 588 1HB ASN 992 HB1 ASN 992 9.336 -0.735 2.680 589 2HB ASN 992 HB2 ASN 992 10.296 -0.274 1.278 590 1HD2 ASN 992 2HD2 ASN 992 11.890 1.246 1.492 591 2HD2 ASN 992 1HD2 ASN 992 12.385 1.889 3.027 592 H SER 993 H SER 993 9.322 1.091 -0.807 593 HA SER 993 HA SER 993 10.813 3.497 -0.613 594 1HB SER 993 HB1 SER 993 11.347 1.722 -2.255 595 2HB SER 993 HB2 SER 993 9.835 2.061 -3.095 596 HG SER 993 HG SER 993 10.640 3.889 -3.878 597 H ASP 994 H ASP 994 7.500 2.785 -1.740 598 HA ASP 994 HA ASP 994 7.392 5.524 -2.787 599 1HB ASP 994 HB1 ASP 994 5.684 3.115 -3.333 600 2HB ASP 994 HB2 ASP 994 5.196 4.736 -3.825 601 H LEU 995 H LEU 995 5.601 3.403 -0.554 602 HA LEU 995 HA LEU 995 3.682 5.282 0.263 603 1HB LEU 995 HB1 LEU 995 4.072 2.725 0.932 604 2HB LEU 995 HB2 LEU 995 4.913 3.438 2.285 605 HG LEU 995 HG LEU 995 2.783 2.971 3.078 606 1HD1 LEU 995 1HD1 LEU 995 1.756 5.120 3.551 607 2HD1 LEU 995 2HD1 LEU 995 3.512 5.195 3.703 608 3HD1 LEU 995 3HD1 LEU 995 2.721 5.868 2.278 609 1HD2 LEU 995 1HD2 LEU 995 0.709 3.604 1.931 610 2HD2 LEU 995 2HD2 LEU 995 1.662 4.188 0.568 611 3HD2 LEU 995 3HD2 LEU 995 1.690 2.477 0.992 612 H ALA 996 H ALA 996 6.842 4.479 1.617 613 HA ALA 996 HA ALA 996 6.841 6.430 3.620 614 1HB ALA 996 HB1 ALA 996 9.241 5.207 2.283 615 2HB ALA 996 HB2 ALA 996 9.253 6.096 3.809 616 3HB ALA 996 HB3 ALA 996 8.386 4.563 3.685 617 H GLU 997 H GLU 997 8.368 6.672 0.358 618 HA GLU 997 HA GLU 997 9.277 9.249 0.908 619 1HB GLU 997 HB1 GLU 997 9.757 9.572 -1.386 620 2HB GLU 997 HB2 GLU 997 10.152 7.911 -0.967 621 1HG GLU 997 HG1 GLU 997 8.208 7.100 -2.099 622 2HG GLU 997 HG2 GLU 997 7.621 8.745 -2.366 623 H LEU 998 H LEU 998 6.100 8.176 -0.167 624 HA LEU 998 HA LEU 998 5.278 10.743 -1.076 625 1HB LEU 998 HB1 LEU 998 3.993 8.712 -1.618 626 2HB LEU 998 HB2 LEU 998 3.550 8.547 0.073 627 HG LEU 998 HG LEU 998 2.368 10.713 -0.031 628 1HD1 LEU 998 1HD1 LEU 998 1.959 11.773 -2.193 629 2HD1 LEU 998 2HD1 LEU 998 3.676 11.762 -1.792 630 3HD1 LEU 998 3HD1 LEU 998 3.039 10.613 -2.968 631 1HD2 LEU 998 1HD2 LEU 998 1.494 8.747 -2.139 632 2HD2 LEU 998 2HD2 LEU 998 1.121 8.658 -0.417 633 3HD2 LEU 998 3HD2 LEU 998 0.483 9.982 -1.392 634 H ILE 999 H ILE 999 5.244 9.152 2.059 635 HA ILE 999 HA ILE 999 3.834 11.021 3.562 636 HB ILE 999 HB ILE 999 6.233 9.385 4.412 637 1HG1 ILE 999 1HG1 ILE 999 3.272 8.827 4.693 638 2HG1 ILE 999 2HG1 ILE 999 4.337 8.065 3.517 639 1HG2 ILE 999 1HG2 ILE 999 5.820 11.222 5.962 640 2HG2 ILE 999 2HG2 ILE 999 4.128 10.741 6.098 641 3HG2 ILE 999 3HG2 ILE 999 5.399 9.674 6.696 642 1HD1 ILE 999 1HD1 ILE 999 3.948 6.592 5.389 643 2HD1 ILE 999 2HD1 ILE 999 5.638 7.096 5.357 644 3HD1 ILE 999 3HD1 ILE 999 4.524 7.828 6.511 645 H ASN1000 H ASN1000 7.156 10.998 2.497 646 HA ASN1000 HA ASN1000 7.719 13.554 3.856 647 1HB ASN1000 HB1 ASN1000 9.554 11.676 2.324 648 2HB ASN1000 HB2 ASN1000 10.064 13.142 3.153 649 1HD2 ASN1000 2HD2 ASN1000 8.947 9.870 3.534 650 2HD2 ASN1000 1HD2 ASN1000 9.359 9.714 5.203 651 H LYS1001 H LYS1001 6.503 12.469 0.976 652 HA LYS1001 HA LYS1001 7.789 14.416 -0.737 653 1HB LYS1001 HB1 LYS1001 6.742 12.084 -1.393 654 2HB LYS1001 HB2 LYS1001 5.248 13.008 -1.479 655 1HG LYS1001 HG1 LYS1001 6.025 13.054 -3.656 656 2HG LYS1001 HG2 LYS1001 6.582 14.599 -3.006 657 1HD LYS1001 HD1 LYS1001 8.783 13.586 -2.551 658 2HD LYS1001 HD2 LYS1001 8.219 12.074 -3.263 659 1HE LYS1001 HE1 LYS1001 9.431 13.132 -4.969 660 2HE LYS1001 HE2 LYS1001 7.738 13.430 -5.361 661 1HZ LYS1001 HZ1 LYS1001 9.573 15.342 -4.011 662 2HZ LYS1001 HZ2 LYS1001 9.078 15.423 -5.629 663 3HZ LYS1001 HZ3 LYS1001 7.947 15.637 -4.389 664 H MET1002 H MET1002 4.625 13.853 0.740 665 HA MET1002 HA MET1002 3.702 16.480 0.054 666 1HB MET1002 HB1 MET1002 2.017 14.790 0.312 667 2HB MET1002 HB2 MET1002 2.608 14.379 1.922 668 1HG MET1002 HG1 MET1002 0.572 15.741 1.991 669 2HG MET1002 HG2 MET1002 1.950 16.528 2.769 670 1HE MET1002 HE1 MET1002 -0.421 16.488 -0.374 671 2HE MET1002 HE2 MET1002 0.334 17.711 -1.397 672 3HE MET1002 HE3 MET1002 1.162 16.184 -1.091 673 H LYS1003 H LYS1003 5.239 14.862 2.770 674 HA LYS1003 HA LYS1003 5.109 16.980 4.584 675 1HB LYS1003 HB1 LYS1003 6.047 14.715 5.118 676 2HB LYS1003 HB2 LYS1003 7.480 15.138 4.189 677 1HG LYS1003 HG1 LYS1003 8.048 16.876 5.710 678 2HG LYS1003 HG2 LYS1003 6.512 16.712 6.560 679 1HD LYS1003 HD1 LYS1003 7.191 14.395 7.188 680 2HD LYS1003 HD2 LYS1003 8.774 14.718 6.473 681 1HE LYS1003 HE1 LYS1003 9.088 16.582 8.024 682 2HE LYS1003 HE2 LYS1003 7.504 16.264 8.729 683 1HZ LYS1003 HZ1 LYS1003 9.895 14.511 8.825 684 2HZ LYS1003 HZ2 LYS1003 9.133 15.288 10.123 685 3HZ LYS1003 HZ3 LYS1003 8.350 14.017 9.318 686 H LEU1004 H LEU1004 7.601 16.235 2.125 687 HA LEU1004 HA LEU1004 8.921 18.664 2.241 688 1HB LEU1004 HB1 LEU1004 8.617 16.567 0.154 689 2HB LEU1004 HB2 LEU1004 9.341 18.100 -0.307 690 HG LEU1004 HG LEU1004 10.347 16.207 1.817 691 1HD1 LEU1004 1HD1 LEU1004 11.448 16.997 -0.874 692 2HD1 LEU1004 2HD1 LEU1004 12.274 15.986 0.311 693 3HD1 LEU1004 3HD1 LEU1004 10.776 15.428 -0.433 694 1HD2 LEU1004 1HD2 LEU1004 11.461 18.859 0.909 695 2HD2 LEU1004 2HD2 LEU1004 10.726 18.524 2.476 696 3HD2 LEU1004 3HD2 LEU1004 12.240 17.741 2.027 697 H ALA1005 H ALA1005 5.993 17.858 0.402 698 HA ALA1005 HA ALA1005 5.927 20.289 -1.057 699 1HB ALA1005 HB1 ALA1005 3.613 19.735 -1.561 700 2HB ALA1005 HB2 ALA1005 4.636 18.309 -1.723 701 3HB ALA1005 HB3 ALA1005 3.615 18.504 -0.298 702 H GLN1006 H GLN1006 4.386 19.265 1.943 703 HA GLN1006 HA GLN1006 3.254 21.832 2.490 704 1HB GLN1006 HB1 GLN1006 2.324 20.823 4.348 705 2HB GLN1006 HB2 GLN1006 2.619 19.412 3.344 706 1HG GLN1006 HG1 GLN1006 3.481 18.602 5.247 707 2HG GLN1006 HG2 GLN1006 4.920 19.458 4.700 708 1HE2 GLN1006 2HE2 GLN1006 2.063 21.064 5.898 709 2HE2 GLN1006 1HE2 GLN1006 2.773 21.665 7.358 710 H GLN1007 H GLN1007 6.332 20.538 2.577 711 HA GLN1007 HA GLN1007 7.385 22.320 4.585 712 1HB GLN1007 HB1 GLN1007 8.084 19.819 3.625 713 2HB GLN1007 HB2 GLN1007 9.252 20.886 2.866 714 1HG GLN1007 HG1 GLN1007 10.083 19.943 4.950 715 2HG GLN1007 HG2 GLN1007 9.949 21.701 5.049 716 1HE2 GLN1007 2HE2 GLN1007 7.138 19.615 5.179 717 2HE2 GLN1007 1HE2 GLN1007 6.793 19.889 6.860 718 H TYR1008 H TYR1008 6.536 22.403 1.387 719 HA TYR1008 HA TYR1008 8.393 24.612 0.773 720 1HB TYR1008 HB1 TYR1008 8.742 22.418 -0.469 721 2HB TYR1008 HB2 TYR1008 7.174 22.684 -1.210 722 HD1 TYR1008 HD1 TYR1008 7.254 23.452 -3.367 723 HD2 TYR1008 HD2 TYR1008 10.295 24.672 -0.650 724 HE1 TYR1008 HE1 TYR1008 8.362 24.700 -5.180 725 HE2 TYR1008 HE2 TYR1008 11.403 25.931 -2.445 726 HH TYR1008 HH TYR1008 11.518 25.829 -4.945 727 H VAL1009 H VAL1009 5.475 24.098 1.776 728 HA VAL1009 HA VAL1009 3.683 25.122 -0.071 729 HB VAL1009 HB VAL1009 2.928 24.003 1.938 730 1HG1 VAL1009 1HG1 VAL1009 2.958 25.091 4.131 731 2HG1 VAL1009 2HG1 VAL1009 4.586 24.783 3.526 732 3HG1 VAL1009 3HG1 VAL1009 3.914 26.412 3.458 733 1HG2 VAL1009 1HG2 VAL1009 1.356 25.485 0.845 734 2HG2 VAL1009 2HG2 VAL1009 1.110 25.531 2.591 735 3HG2 VAL1009 3HG2 VAL1009 1.952 26.854 1.785 736 H MET1010 H MET1010 4.432 26.853 -1.187 737 HA MET1010 HA MET1010 4.491 29.392 0.323 738 1HB MET1010 HB1 MET1010 5.939 28.657 -2.229 739 2HB MET1010 HB2 MET1010 5.855 30.289 -1.581 740 1HG MET1010 HG1 MET1010 7.092 27.914 -0.206 741 2HG MET1010 HG2 MET1010 7.966 29.197 -1.043 742 1HE MET1010 HE1 MET1010 8.649 28.354 1.928 743 2HE MET1010 HE2 MET1010 9.469 29.667 1.082 744 3HE MET1010 HE3 MET1010 8.818 29.931 2.700 745 H THR1011 H THR1011 2.509 27.603 -1.388 746 HA THR1011 HA THR1011 0.697 27.895 -2.718 747 HB THR1011 HB THR1011 1.178 30.856 -2.310 748 HG1 THR1011 HG1 THR1011 0.555 30.378 -0.341 749 1HG2 THR1011 1HG2 THR1011 -1.293 29.356 -3.186 750 2HG2 THR1011 2HG2 THR1011 -1.199 31.089 -2.866 751 3HG2 THR1011 3HG2 THR1011 -0.293 30.389 -4.209 752 H SER1012 H SER1012 0.441 27.750 -4.874 753 HA SER1012 HA SER1012 0.948 27.734 -7.087 754 1HB SER1012 HB1 SER1012 1.011 30.221 -6.915 755 2HB SER1012 HB2 SER1012 2.730 30.124 -6.538 756 HG SER1012 HG SER1012 2.680 28.810 -8.665 757 H LEU1013 H LEU1013 3.975 28.699 -5.431 758 HA LEU1013 HA LEU1013 5.621 26.873 -6.845 759 1HB LEU1013 HB1 LEU1013 6.010 28.120 -4.117 760 2HB LEU1013 HB2 LEU1013 7.256 27.287 -5.028 761 HG LEU1013 HG LEU1013 5.883 29.843 -5.873 762 1HD1 LEU1013 1HD1 LEU1013 8.008 30.912 -5.392 763 2HD1 LEU1013 2HD1 LEU1013 7.370 30.129 -3.946 764 3HD1 LEU1013 3HD1 LEU1013 8.681 29.373 -4.851 765 1HD2 LEU1013 1HD2 LEU1013 7.599 29.909 -7.625 766 2HD2 LEU1013 2HD2 LEU1013 8.177 28.323 -7.113 767 3HD2 LEU1013 3HD2 LEU1013 6.556 28.497 -7.784 768 H GLN1014 H GLN1014 3.587 26.642 -4.061 769 HA GLN1014 HA GLN1014 4.537 24.272 -2.902 770 1HB GLN1014 HB1 GLN1014 2.823 25.904 -1.971 771 2HB GLN1014 HB2 GLN1014 1.650 25.146 -3.035 772 1HG GLN1014 HG1 GLN1014 3.172 23.382 -1.209 773 2HG GLN1014 HG2 GLN1014 1.952 24.438 -0.504 774 1HE2 GLN1014 2HE2 GLN1014 2.545 21.716 -2.557 775 2HE2 GLN1014 1HE2 GLN1014 0.897 21.215 -2.695 776 H GLN1015 H GLN1015 2.391 24.892 -5.595 777 HA GLN1015 HA GLN1015 1.389 22.251 -5.820 778 1HB GLN1015 HB1 GLN1015 1.366 24.615 -7.659 779 2HB GLN1015 HB2 GLN1015 0.740 23.054 -8.174 780 1HG GLN1015 HG1 GLN1015 -0.788 23.079 -6.225 781 2HG GLN1015 HG2 GLN1015 -0.216 24.703 -5.847 782 1HE2 GLN1015 2HE2 GLN1015 -1.981 22.741 -8.130 783 2HE2 GLN1015 1HE2 GLN1015 -2.826 24.049 -8.893 784 H GLU1016 H GLU1016 4.129 23.893 -7.375 785 HA GLU1016 HA GLU1016 5.046 21.939 -9.019 786 1HB GLU1016 HB1 GLU1016 6.299 24.012 -8.610 787 2HB GLU1016 HB2 GLU1016 6.759 23.424 -7.015 788 1HG GLU1016 HG1 GLU1016 7.966 21.565 -8.049 789 2HG GLU1016 HG2 GLU1016 7.514 22.159 -9.639 790 H TYR1017 H TYR1017 5.458 21.972 -5.486 791 HA TYR1017 HA TYR1017 6.672 19.363 -5.465 792 1HB TYR1017 HB1 TYR1017 5.951 21.402 -3.424 793 2HB TYR1017 HB2 TYR1017 6.012 19.726 -2.887 794 HD1 TYR1017 HD1 TYR1017 8.193 20.866 -5.578 795 HD2 TYR1017 HD2 TYR1017 7.905 20.203 -1.368 796 HE1 TYR1017 HE1 TYR1017 10.639 21.013 -5.393 797 HE2 TYR1017 HE2 TYR1017 10.356 20.341 -1.189 798 HH TYR1017 HH TYR1017 12.347 20.016 -2.655 799 H LYS1018 H LYS1018 3.470 20.641 -5.296 800 HA LYS1018 HA LYS1018 2.217 18.366 -4.117 801 1HB LYS1018 HB1 LYS1018 1.256 20.675 -4.154 802 2HB LYS1018 HB2 LYS1018 0.975 20.487 -5.877 803 1HG LYS1018 HG1 LYS1018 -0.623 18.758 -5.508 804 2HG LYS1018 HG2 LYS1018 -0.219 18.677 -3.790 805 1HD LYS1018 HD1 LYS1018 -1.047 20.962 -3.486 806 2HD LYS1018 HD2 LYS1018 -1.441 21.052 -5.204 807 1HE LYS1018 HE1 LYS1018 -3.060 19.258 -4.948 808 2HE LYS1018 HE2 LYS1018 -2.628 19.085 -3.248 809 1HZ LYS1018 HZ1 LYS1018 -3.694 21.608 -4.389 810 2HZ LYS1018 HZ2 LYS1018 -4.690 20.413 -3.724 811 3HZ LYS1018 HZ3 LYS1018 -3.540 21.194 -2.750 812 H LYS1019 H LYS1019 2.832 19.404 -7.441 813 HA LYS1019 HA LYS1019 1.470 17.264 -8.705 814 1HB LYS1019 HB1 LYS1019 2.119 19.275 -9.935 815 2HB LYS1019 HB2 LYS1019 3.819 18.912 -9.670 816 1HG LYS1019 HG1 LYS1019 3.641 16.920 -11.028 817 2HG LYS1019 HG2 LYS1019 1.909 17.187 -11.229 818 1HD LYS1019 HD1 LYS1019 4.041 19.115 -12.140 819 2HD LYS1019 HD2 LYS1019 3.285 17.904 -13.180 820 1HE LYS1019 HE1 LYS1019 1.085 18.924 -12.739 821 2HE LYS1019 HE2 LYS1019 1.869 20.153 -11.743 822 1HZ LYS1019 HZ1 LYS1019 2.441 19.702 -14.624 823 2HZ LYS1019 HZ2 LYS1019 1.409 20.908 -14.023 824 3HZ LYS1019 HZ3 LYS1019 3.064 20.945 -13.651 825 H GLN1020 H GLN1020 4.955 17.739 -8.109 826 HA GLN1020 HA GLN1020 5.956 15.261 -8.503 827 1HB GLN1020 HB1 GLN1020 6.516 17.030 -6.119 828 2HB GLN1020 HB2 GLN1020 7.508 15.664 -6.601 829 1HG GLN1020 HG1 GLN1020 7.985 16.755 -8.729 830 2HG GLN1020 HG2 GLN1020 6.991 18.127 -8.244 831 1HE2 GLN1020 2HE2 GLN1020 8.694 19.560 -8.377 832 2HE2 GLN1020 1HE2 GLN1020 9.987 19.583 -7.230 833 H MET1021 H MET1021 4.088 16.267 -5.672 834 HA MET1021 HA MET1021 4.230 13.859 -4.238 835 1HB MET1021 HB1 MET1021 3.441 15.958 -3.255 836 2HB MET1021 HB2 MET1021 2.031 15.936 -4.300 837 1HG MET1021 HG1 MET1021 2.565 13.706 -2.377 838 2HG MET1021 HG2 MET1021 1.780 15.192 -1.858 839 1HE MET1021 HE1 MET1021 0.129 15.909 -4.537 840 2HE MET1021 HE2 MET1021 -1.433 15.178 -4.171 841 3HE MET1021 HE3 MET1021 -0.559 16.065 -2.922 842 H LEU1022 H LEU1022 1.930 14.977 -6.700 843 HA LEU1022 HA LEU1022 0.156 12.822 -6.630 844 1HB LEU1022 HB1 LEU1022 1.020 14.517 -8.976 845 2HB LEU1022 HB2 LEU1022 -0.347 13.418 -8.999 846 HG LEU1022 HG LEU1022 -0.090 15.830 -7.197 847 1HD1 LEU1022 1HD1 LEU1022 -1.761 16.853 -8.617 848 2HD1 LEU1022 2HD1 LEU1022 -0.353 16.407 -9.579 849 3HD1 LEU1022 3HD1 LEU1022 -1.810 15.416 -9.641 850 1HD2 LEU1022 1HD2 LEU1022 -1.425 14.084 -6.185 851 2HD2 LEU1022 2HD2 LEU1022 -2.469 15.395 -6.732 852 3HD2 LEU1022 3HD2 LEU1022 -2.365 13.904 -7.668 853 H THR1023 H THR1023 3.185 13.220 -8.423 854 HA THR1023 HA THR1023 3.050 10.822 -9.891 855 HB THR1023 HB THR1023 5.581 12.160 -8.925 856 HG1 THR1023 HG1 THR1023 5.282 13.691 -10.418 857 1HG2 THR1023 1HG2 THR1023 5.886 9.995 -10.048 858 2HG2 THR1023 2HG2 THR1023 4.965 10.583 -11.431 859 3HG2 THR1023 3HG2 THR1023 6.515 11.319 -11.028 860 H ALA1024 H ALA1024 4.158 11.566 -6.658 861 HA ALA1024 HA ALA1024 5.350 8.970 -6.216 862 1HB ALA1024 HB1 ALA1024 6.222 10.995 -5.100 863 2HB ALA1024 HB2 ALA1024 4.704 11.134 -4.213 864 3HB ALA1024 HB3 ALA1024 5.750 9.739 -3.954 865 H ALA1025 H ALA1025 2.369 10.655 -5.460 866 HA ALA1025 HA ALA1025 1.200 8.692 -3.809 867 1HB ALA1025 HB1 ALA1025 0.368 10.997 -3.968 868 2HB ALA1025 HB2 ALA1025 -0.173 10.681 -5.616 869 3HB ALA1025 HB3 ALA1025 -0.906 9.816 -4.265 870 H HIS1026 H HIS1026 1.396 9.075 -7.288 871 HA HIS1026 HA HIS1026 -0.452 6.992 -7.874 872 1HB HIS1026 HB1 HIS1026 0.067 8.686 -9.567 873 2HB HIS1026 HB2 HIS1026 1.752 8.176 -9.586 874 HD1 HIS1026 HD1 HIS1026 -1.647 7.212 -10.812 875 HD2 HIS1026 HD2 HIS1026 2.268 5.819 -11.039 876 HE1 HIS1026 HE1 HIS1026 -1.663 5.418 -12.576 877 HE2 HIS1026 HE2 HIS1026 0.674 4.472 -12.575 878 H ALA1027 H ALA1027 3.081 7.161 -7.715 879 HA ALA1027 HA ALA1027 3.577 4.460 -8.305 880 1HB ALA1027 HB1 ALA1027 5.318 6.168 -8.346 881 2HB ALA1027 HB2 ALA1027 5.187 6.357 -6.597 882 3HB ALA1027 HB3 ALA1027 5.765 4.837 -7.279 883 H LEU1028 H LEU1028 2.946 6.153 -5.297 884 HA LEU1028 HA LEU1028 3.128 4.049 -3.477 885 1HB LEU1028 HB1 LEU1028 2.868 6.297 -2.720 886 2HB LEU1028 HB2 LEU1028 1.367 6.489 -3.596 887 HG LEU1028 HG LEU1028 1.250 4.339 -1.611 888 1HD1 LEU1028 1HD1 LEU1028 1.654 7.193 -0.714 889 2HD1 LEU1028 2HD1 LEU1028 1.164 5.846 0.313 890 3HD1 LEU1028 3HD1 LEU1028 2.765 5.852 -0.426 891 1HD2 LEU1028 1HD2 LEU1028 -0.850 5.436 -1.077 892 2HD2 LEU1028 2HD2 LEU1028 -0.405 6.818 -2.080 893 3HD2 LEU1028 3HD2 LEU1028 -0.685 5.243 -2.823 894 H ALA1029 H ALA1029 0.259 5.259 -5.165 895 HA ALA1029 HA ALA1029 -1.482 3.254 -4.431 896 1HB ALA1029 HB1 ALA1029 -1.406 4.612 -7.125 897 2HB ALA1029 HB2 ALA1029 -2.788 3.774 -6.420 898 3HB ALA1029 HB3 ALA1029 -2.177 5.250 -5.674 899 H VAL1030 H VAL1030 0.933 3.218 -7.028 900 HA VAL1030 HA VAL1030 0.335 0.668 -8.038 901 HB VAL1030 HB VAL1030 2.990 2.116 -7.983 902 1HG1 VAL1030 1HG1 VAL1030 3.333 -0.259 -8.361 903 2HG1 VAL1030 2HG1 VAL1030 2.106 -0.255 -9.628 904 3HG1 VAL1030 3HG1 VAL1030 3.610 0.640 -9.853 905 1HG2 VAL1030 1HG2 VAL1030 2.426 2.713 -10.300 906 2HG2 VAL1030 2HG2 VAL1030 0.853 1.940 -10.105 907 3HG2 VAL1030 3HG2 VAL1030 1.261 3.362 -9.146 908 H ASP1031 H ASP1031 2.216 1.639 -5.200 909 HA ASP1031 HA ASP1031 3.402 -0.970 -4.929 910 1HB ASP1031 HB1 ASP1031 4.344 -0.285 -2.841 911 2HB ASP1031 HB2 ASP1031 4.521 1.042 -3.964 912 H ALA1032 H ALA1032 0.689 0.733 -3.468 913 HA ALA1032 HA ALA1032 -0.365 -1.285 -1.850 914 1HB ALA1032 HB1 ALA1032 -2.534 -0.201 -2.272 915 2HB ALA1032 HB2 ALA1032 -1.268 0.973 -1.918 916 3HB ALA1032 HB3 ALA1032 -1.805 0.730 -3.580 917 H LYS1033 H LYS1033 -0.857 -0.602 -5.274 918 HA LYS1033 HA LYS1033 -2.756 -2.639 -5.728 919 1HB LYS1033 HB1 LYS1033 -2.081 -0.483 -7.100 920 2HB LYS1033 HB2 LYS1033 -1.043 -1.620 -7.947 921 1HG LYS1033 HG1 LYS1033 -3.093 -1.431 -9.151 922 2HG LYS1033 HG2 LYS1033 -3.048 -3.024 -8.390 923 1HD LYS1033 HD1 LYS1033 -4.466 -2.191 -6.575 924 2HD LYS1033 HD2 LYS1033 -4.508 -0.600 -7.337 925 1HE LYS1033 HE1 LYS1033 -5.591 -3.174 -8.478 926 2HE LYS1033 HE2 LYS1033 -6.540 -1.835 -7.835 927 1HZ LYS1033 HZ1 LYS1033 -5.514 -0.432 -9.610 928 2HZ LYS1033 HZ2 LYS1033 -4.860 -1.846 -10.278 929 3HZ LYS1033 HZ3 LYS1033 -6.540 -1.657 -10.182 930 H ASN1034 H ASN1034 0.776 -2.588 -6.042 931 HA ASN1034 HA ASN1034 0.824 -5.027 -7.549 932 1HB ASN1034 HB1 ASN1034 2.606 -3.184 -7.590 933 2HB ASN1034 HB2 ASN1034 3.200 -3.895 -6.090 934 1HD2 ASN1034 2HD2 ASN1034 5.160 -4.533 -7.017 935 2HD2 ASN1034 1HD2 ASN1034 5.267 -5.830 -8.147 936 H LEU1035 H LEU1035 1.117 -4.217 -4.132 937 HA LEU1035 HA LEU1035 1.949 -6.936 -3.424 938 1HB LEU1035 HB1 LEU1035 2.598 -4.959 -1.994 939 2HB LEU1035 HB2 LEU1035 0.896 -4.731 -1.599 940 HG LEU1035 HG LEU1035 1.107 -7.268 -0.833 941 1HD1 LEU1035 1HD1 LEU1035 3.406 -7.546 -1.542 942 2HD1 LEU1035 2HD1 LEU1035 3.907 -6.205 -0.510 943 3HD1 LEU1035 3HD1 LEU1035 3.279 -7.687 0.210 944 1HD2 LEU1035 1HD2 LEU1035 1.538 -6.490 1.432 945 2HD2 LEU1035 2HD2 LEU1035 2.093 -4.939 0.797 946 3HD2 LEU1035 3HD2 LEU1035 0.412 -5.429 0.587 947 H LEU1036 H LEU1036 -0.968 -5.011 -3.661 948 HA LEU1036 HA LEU1036 -2.927 -6.575 -2.579 949 1HB LEU1036 HB1 LEU1036 -3.391 -4.444 -3.610 950 2HB LEU1036 HB2 LEU1036 -2.867 -5.024 -5.172 951 HG LEU1036 HG LEU1036 -5.260 -6.268 -3.854 952 1HD1 LEU1036 1HD1 LEU1036 -5.206 -3.700 -5.437 953 2HD1 LEU1036 2HD1 LEU1036 -6.660 -4.596 -4.996 954 3HD1 LEU1036 3HD1 LEU1036 -5.653 -3.875 -3.741 955 1HD2 LEU1036 1HD2 LEU1036 -5.940 -6.589 -6.189 956 2HD2 LEU1036 2HD2 LEU1036 -4.483 -5.758 -6.731 957 3HD2 LEU1036 3HD2 LEU1036 -4.354 -7.300 -5.885 958 H ASP1037 H ASP1037 -1.302 -6.904 -5.603 959 HA ASP1037 HA ASP1037 -2.567 -9.365 -6.360 960 1HB ASP1037 HB1 ASP1037 -0.101 -7.963 -7.413 961 2HB ASP1037 HB2 ASP1037 -0.700 -9.485 -8.063 962 H VAL1038 H VAL1038 0.548 -8.381 -5.036 963 HA VAL1038 HA VAL1038 1.937 -10.730 -4.886 964 HB VAL1038 HB VAL1038 1.812 -8.389 -3.016 965 1HG1 VAL1038 1HG1 VAL1038 2.412 -10.321 -1.651 966 2HG1 VAL1038 2HG1 VAL1038 3.701 -10.723 -2.787 967 3HG1 VAL1038 3HG1 VAL1038 3.782 -9.227 -1.857 968 1HG2 VAL1038 1HG2 VAL1038 3.895 -9.374 -4.950 969 2HG2 VAL1038 2HG2 VAL1038 2.801 -8.011 -5.191 970 3HG2 VAL1038 3HG2 VAL1038 4.036 -7.941 -3.934 971 H ILE1039 H ILE1039 -0.121 -9.459 -2.313 972 HA ILE1039 HA ILE1039 0.206 -11.889 -0.804 973 HB ILE1039 HB ILE1039 -1.341 -10.665 0.876 974 1HG1 ILE1039 1HG1 ILE1039 -1.188 -8.203 0.755 975 2HG1 ILE1039 2HG1 ILE1039 -0.450 -8.330 -0.834 976 1HG2 ILE1039 1HG2 ILE1039 1.420 -9.663 0.214 977 2HG2 ILE1039 2HG2 ILE1039 0.600 -9.466 1.763 978 3HG2 ILE1039 3HG2 ILE1039 1.024 -11.078 1.187 979 1HD1 ILE1039 1HD1 ILE1039 -2.779 -7.705 -0.980 980 2HD1 ILE1039 2HD1 ILE1039 -2.503 -9.289 -1.710 981 3HD1 ILE1039 3HD1 ILE1039 -3.238 -9.169 -0.111 982 H ASP1040 H ASP1040 -2.499 -10.353 -2.539 983 HA ASP1040 HA ASP1040 -4.405 -12.314 -2.018 984 1HB ASP1040 HB1 ASP1040 -5.091 -10.521 -3.430 985 2HB ASP1040 HB2 ASP1040 -3.787 -10.822 -4.572 986 H GLN1041 H GLN1041 -1.720 -12.266 -4.258 987 HA GLN1041 HA GLN1041 -2.034 -15.002 -5.028 988 1HB GLN1041 HB1 GLN1041 0.250 -13.077 -5.383 989 2HB GLN1041 HB2 GLN1041 0.314 -14.752 -5.912 990 1HG GLN1041 HG1 GLN1041 -1.544 -14.394 -7.411 991 2HG GLN1041 HG2 GLN1041 -1.728 -12.740 -6.828 992 1HE2 GLN1041 2HE2 GLN1041 0.151 -14.901 -8.785 993 2HE2 GLN1041 1HE2 GLN1041 1.092 -13.684 -9.577 994 H ALA1042 H ALA1042 -0.323 -13.353 -2.404 995 HA ALA1042 HA ALA1042 1.282 -15.372 -1.504 996 1HB ALA1042 HB1 ALA1042 1.080 -13.195 -0.393 997 2HB ALA1042 HB2 ALA1042 -0.498 -13.674 0.230 998 3HB ALA1042 HB3 ALA1042 0.952 -14.534 0.747 999 H ARG1043 H ARG1043 -2.101 -14.902 -0.526 1000 HA ARG1043 HA ARG1043 -2.472 -17.412 0.633 1001 1HB ARG1043 HB1 ARG1043 -4.095 -15.200 -0.002 1002 2HB ARG1043 HB2 ARG1043 -4.878 -16.602 -0.721 1003 1HG ARG1043 HG1 ARG1043 -5.698 -16.173 1.534 1004 2HG ARG1043 HG2 ARG1043 -4.876 -17.732 1.432 1005 1HD ARG1043 HD1 ARG1043 -2.915 -16.840 2.484 1006 2HD ARG1043 HD2 ARG1043 -3.554 -15.198 2.392 1007 HE ARG1043 HE ARG1043 -5.419 -16.495 3.870 1008 1HH1 ARG1043 2HH1 ARG1043 -1.923 -16.303 4.190 1009 2HH1 ARG1043 1HH1 ARG1043 -1.964 -16.352 5.926 1010 1HH2 ARG1043 2HH2 ARG1043 -5.459 -16.561 6.127 1011 2HH2 ARG1043 1HH2 ARG1043 -3.967 -16.510 7.022 1012 H LEU1044 H LEU1044 -2.429 -16.476 -2.727 1013 HA LEU1044 HA LEU1044 -3.365 -18.991 -3.747 1014 1HB LEU1044 HB1 LEU1044 -3.338 -16.709 -4.931 1015 2HB LEU1044 HB2 LEU1044 -1.643 -17.012 -5.231 1016 HG LEU1044 HG LEU1044 -3.801 -18.900 -6.171 1017 1HD1 LEU1044 1HD1 LEU1044 -2.568 -16.583 -7.650 1018 2HD1 LEU1044 2HD1 LEU1044 -3.631 -17.804 -8.350 1019 3HD1 LEU1044 3HD1 LEU1044 -4.244 -16.702 -7.115 1020 1HD2 LEU1044 1HD2 LEU1044 -1.509 -19.784 -6.105 1021 2HD2 LEU1044 2HD2 LEU1044 -2.107 -19.624 -7.756 1022 3HD2 LEU1044 3HD2 LEU1044 -0.970 -18.441 -7.112 1023 H LYS1045 H LYS1045 -0.234 -17.606 -2.918 1024 HA LYS1045 HA LYS1045 1.462 -19.592 -3.959 1025 1HB LYS1045 HB1 LYS1045 1.836 -18.044 -1.373 1026 2HB LYS1045 HB2 LYS1045 3.095 -18.847 -2.290 1027 1HG LYS1045 HG1 LYS1045 1.529 -16.431 -3.123 1028 2HG LYS1045 HG2 LYS1045 3.210 -16.480 -2.594 1029 1HD LYS1045 HD1 LYS1045 3.834 -17.749 -4.553 1030 2HD LYS1045 HD2 LYS1045 2.143 -17.876 -5.050 1031 1HE LYS1045 HE1 LYS1045 2.047 -15.429 -5.276 1032 2HE LYS1045 HE2 LYS1045 3.748 -15.328 -4.822 1033 1HZ LYS1045 HZ1 LYS1045 2.709 -16.764 -7.209 1034 2HZ LYS1045 HZ2 LYS1045 3.399 -15.213 -7.226 1035 3HZ LYS1045 HZ3 LYS1045 4.339 -16.553 -6.793 1036 H MET1046 H MET1046 -0.569 -19.386 -1.193 1037 HA MET1046 HA MET1046 0.484 -21.728 0.114 1038 1HB MET1046 HB1 MET1046 -0.643 -19.795 1.273 1039 2HB MET1046 HB2 MET1046 -2.155 -20.345 0.578 1040 1HG MET1046 HG1 MET1046 -2.035 -22.403 1.807 1041 2HG MET1046 HG2 MET1046 -0.419 -22.001 2.391 1042 1HE MET1046 HE1 MET1046 -2.453 -21.693 5.690 1043 2HE MET1046 HE2 MET1046 -2.603 -22.909 4.421 1044 3HE MET1046 HE3 MET1046 -1.007 -22.348 4.921 1045 H ILE1047 H ILE1047 -2.104 -20.939 -2.112 1046 HA ILE1047 HA ILE1047 -3.261 -23.511 -2.337 1047 HB ILE1047 HB ILE1047 -2.945 -21.412 -4.498 1048 1HG1 ILE1047 1HG1 ILE1047 -4.116 -20.539 -2.518 1049 2HG1 ILE1047 2HG1 ILE1047 -5.199 -20.679 -3.900 1050 1HG2 ILE1047 1HG2 ILE1047 -4.857 -23.735 -4.296 1051 2HG2 ILE1047 2HG2 ILE1047 -4.841 -22.514 -5.570 1052 3HG2 ILE1047 3HG2 ILE1047 -3.475 -23.614 -5.386 1053 1HD1 ILE1047 1HD1 ILE1047 -6.285 -21.386 -1.853 1054 2HD1 ILE1047 2HD1 ILE1047 -6.112 -22.742 -2.967 1055 3HD1 ILE1047 3HD1 ILE1047 -5.028 -22.593 -1.584 1056 H SER1048 H SER1048 -0.657 -21.856 -4.062 1057 HA SER1048 HA SER1048 0.170 -23.843 -5.807 1058 1HB SER1048 HB1 SER1048 1.842 -21.762 -4.359 1059 2HB SER1048 HB2 SER1048 2.353 -22.654 -5.794 1060 HG SER1048 HG SER1048 0.059 -21.652 -6.454 1061 H GLN1049 H GLN1049 1.002 -23.332 -2.423 1062 HA GLN1049 HA GLN1049 2.933 -25.332 -2.126 1063 1HB GLN1049 HB1 GLN1049 2.398 -23.615 -0.426 1064 2HB GLN1049 HB2 GLN1049 0.863 -24.414 -0.118 1065 1HG GLN1049 HG1 GLN1049 2.200 -26.461 0.512 1066 2HG GLN1049 HG2 GLN1049 3.630 -25.428 0.467 1067 1HE2 GLN1049 2HE2 GLN1049 4.064 -25.591 2.633 1068 2HE2 GLN1049 1HE2 GLN1049 3.070 -24.863 3.851 1069 H SER1050 H SER1050 -0.405 -25.617 -0.912 1070 HA SER1050 HA SER1050 -0.753 -28.162 -2.258 1071 1HB SER1050 HB1 SER1050 -0.908 -28.018 0.763 1072 2HB SER1050 HB2 SER1050 -1.192 -29.440 -0.238 1073 HG SER1050 HG SER1050 1.190 -28.567 -0.899 1074 H ARG1051 H ARG1051 -1.918 -25.287 -1.333 1075 HA ARG1051 HA ARG1051 -3.859 -24.267 -0.892 1076 1HB ARG1051 HB1 ARG1051 -5.675 -24.789 -2.179 1077 2HB ARG1051 HB2 ARG1051 -4.424 -25.669 -3.035 1078 1HG ARG1051 HG1 ARG1051 -5.153 -27.712 -1.745 1079 2HG ARG1051 HG2 ARG1051 -6.542 -26.763 -1.209 1080 1HD ARG1051 HD1 ARG1051 -7.074 -28.124 -3.177 1081 2HD ARG1051 HD2 ARG1051 -7.208 -26.399 -3.518 1082 HE ARG1051 HE ARG1051 -4.677 -26.978 -4.271 1083 1HH1 ARG1051 2HH1 ARG1051 -7.802 -28.323 -5.095 1084 2HH1 ARG1051 1HH1 ARG1051 -7.274 -28.901 -6.647 1085 1HH2 ARG1051 2HH2 ARG1051 -3.996 -27.702 -6.316 1086 2HH2 ARG1051 1HH2 ARG1051 -5.115 -28.573 -7.331 1087 HA PRO1052 HA PRO1052 -4.596 -25.715 3.159 1088 1HB PRO1052 HB1 PRO1052 -6.490 -23.503 3.437 1089 2HB PRO1052 HB2 PRO1052 -4.933 -23.749 4.229 1090 1HG PRO1052 HG1 PRO1052 -5.327 -21.845 2.353 1091 2HG PRO1052 HG2 PRO1052 -3.769 -22.662 2.577 1092 1HD PRO1052 HD1 PRO1052 -5.883 -23.133 0.514 1093 2HD PRO1052 HD2 PRO1052 -4.116 -23.128 0.336 1094 H HIS1053 H HIS1053 -6.085 -26.853 4.317 1095 HA HIS1053 HA HIS1053 -8.824 -26.982 3.232 1096 1HB HIS1053 HB1 HIS1053 -7.208 -29.218 4.487 1097 2HB HIS1053 HB2 HIS1053 -8.924 -29.321 4.113 1098 HD1 HIS1053 HD1 HIS1053 -9.539 -29.167 1.496 1099 HD2 HIS1053 HD2 HIS1053 -5.536 -29.824 2.420 1100 HE1 HIS1053 HE1 HIS1053 -8.485 -30.039 -0.615 1101 HE2 HIS1053 HE2 HIS1053 -6.033 -30.275 -0.080 Start of MODEL 20 1 1H ARG 920 H ARG 920 -7.345 -20.180 -2.401 2 HA ARG 920 HA ARG 920 -8.334 -19.552 0.290 3 1HB ARG 920 HB1 ARG 920 -5.915 -19.265 -0.570 4 2HB ARG 920 HB2 ARG 920 -6.537 -17.828 -1.376 5 1HG ARG 920 HG1 ARG 920 -5.736 -16.999 0.601 6 2HG ARG 920 HG2 ARG 920 -7.459 -17.199 0.941 7 1HD ARG 920 HD1 ARG 920 -5.168 -18.956 1.815 8 2HD ARG 920 HD2 ARG 920 -6.253 -18.016 2.832 9 HE ARG 920 HE ARG 920 -7.011 -20.461 1.363 10 1HH1 ARG 920 2HH1 ARG 920 -7.570 -18.177 3.981 11 2HH1 ARG 920 1HH1 ARG 920 -8.604 -19.274 4.855 12 1HH2 ARG 920 2HH2 ARG 920 -8.386 -21.869 2.519 13 2HH2 ARG 920 1HH2 ARG 920 -9.075 -21.338 4.030 14 H SER 921 H SER 921 -9.409 -17.559 0.737 15 HA SER 921 HA SER 921 -11.052 -16.620 -1.499 16 1HB SER 921 HB1 SER 921 -12.120 -17.419 0.625 17 2HB SER 921 HB2 SER 921 -11.353 -16.073 1.462 18 HG SER 921 HG SER 921 -12.568 -14.641 0.255 19 H ASN 922 H ASN 922 -8.236 -15.901 -1.069 20 HA ASN 922 HA ASN 922 -6.786 -14.150 -0.864 21 1HB ASN 922 HB1 ASN 922 -8.732 -12.145 -1.795 22 2HB ASN 922 HB2 ASN 922 -7.157 -12.572 -2.450 23 1HD2 ASN 922 2HD2 ASN 922 -7.034 -14.610 -3.659 24 2HD2 ASN 922 1HD2 ASN 922 -8.392 -15.093 -4.612 25 H ASP 923 H ASP 923 -7.294 -14.649 1.260 26 HA ASP 923 HA ASP 923 -8.828 -13.550 3.139 27 1HB ASP 923 HB1 ASP 923 -5.966 -14.470 3.182 28 2HB ASP 923 HB2 ASP 923 -6.834 -14.073 4.661 29 H LYS 924 H LYS 924 -7.496 -12.351 5.091 30 HA LYS 924 HA LYS 924 -7.835 -9.688 4.894 31 1HB LYS 924 HB1 LYS 924 -6.784 -11.350 6.790 32 2HB LYS 924 HB2 LYS 924 -5.407 -10.328 6.420 33 1HG LYS 924 HG1 LYS 924 -8.112 -9.415 7.388 34 2HG LYS 924 HG2 LYS 924 -6.604 -9.429 8.301 35 1HD LYS 924 HD1 LYS 924 -5.679 -7.861 6.559 36 2HD LYS 924 HD2 LYS 924 -7.320 -7.717 5.931 37 1HE LYS 924 HE1 LYS 924 -6.413 -7.025 8.720 38 2HE LYS 924 HE2 LYS 924 -6.770 -5.876 7.433 39 1HZ LYS 924 HZ1 LYS 924 -9.075 -6.871 7.419 40 2HZ LYS 924 HZ2 LYS 924 -8.663 -7.650 8.865 41 3HZ LYS 924 HZ3 LYS 924 -8.676 -5.960 8.793 42 H VAL 925 H VAL 925 -5.328 -11.360 3.293 43 HA VAL 925 HA VAL 925 -3.415 -9.312 3.002 44 HB VAL 925 HB VAL 925 -2.670 -10.626 0.994 45 1HG1 VAL 925 1HG1 VAL 925 -3.060 -12.178 3.558 46 2HG1 VAL 925 2HG1 VAL 925 -1.881 -12.543 2.300 47 3HG1 VAL 925 3HG1 VAL 925 -1.751 -11.047 3.224 48 1HG2 VAL 925 1HG2 VAL 925 -3.686 -12.855 0.679 49 2HG2 VAL 925 2HG2 VAL 925 -4.951 -12.414 1.826 50 3HG2 VAL 925 3HG2 VAL 925 -4.796 -11.537 0.304 51 H TYR 926 H TYR 926 -6.114 -10.391 0.828 52 HA TYR 926 HA TYR 926 -5.394 -8.354 -1.124 53 1HB TYR 926 HB1 TYR 926 -6.342 -10.395 -1.953 54 2HB TYR 926 HB2 TYR 926 -7.704 -10.308 -0.845 55 HD1 TYR 926 HD1 TYR 926 -6.170 -8.317 -3.618 56 HD2 TYR 926 HD2 TYR 926 -9.715 -9.627 -1.673 57 HE1 TYR 926 HE1 TYR 926 -7.521 -7.225 -5.361 58 HE2 TYR 926 HE2 TYR 926 -11.080 -8.538 -3.406 59 HH TYR 926 HH TYR 926 -10.895 -6.767 -5.055 60 H GLU 927 H GLU 927 -7.322 -8.699 1.663 61 HA GLU 927 HA GLU 927 -9.193 -6.613 1.192 62 1HB GLU 927 HB1 GLU 927 -8.320 -8.123 3.638 63 2HB GLU 927 HB2 GLU 927 -9.545 -6.875 3.700 64 1HG GLU 927 HG1 GLU 927 -10.816 -8.195 1.979 65 2HG GLU 927 HG2 GLU 927 -9.647 -9.491 2.238 66 H ASN 928 H ASN 928 -6.454 -6.817 3.489 67 HA ASN 928 HA ASN 928 -6.743 -4.122 4.309 68 1HB ASN 928 HB1 ASN 928 -5.563 -6.127 5.483 69 2HB ASN 928 HB2 ASN 928 -4.156 -5.615 4.559 70 1HD2 ASN 928 2HD2 ASN 928 -4.787 -2.780 4.693 71 2HD2 ASN 928 1HD2 ASN 928 -4.474 -2.297 6.324 72 H VAL 929 H VAL 929 -4.862 -5.669 1.823 73 HA VAL 929 HA VAL 929 -3.152 -3.493 1.268 74 HB VAL 929 HB VAL 929 -2.746 -5.801 0.452 75 1HG1 VAL 929 1HG1 VAL 929 -3.839 -6.567 -1.572 76 2HG1 VAL 929 2HG1 VAL 929 -5.005 -6.333 -0.271 77 3HG1 VAL 929 3HG1 VAL 929 -4.875 -5.143 -1.567 78 1HG2 VAL 929 1HG2 VAL 929 -1.515 -3.923 -0.459 79 2HG2 VAL 929 2HG2 VAL 929 -1.835 -5.113 -1.721 80 3HG2 VAL 929 3HG2 VAL 929 -2.790 -3.632 -1.639 81 H THR 930 H THR 930 -6.303 -4.412 -0.173 82 HA THR 930 HA THR 930 -6.437 -2.046 -1.750 83 HB THR 930 HB THR 930 -8.931 -2.558 -1.832 84 HG1 THR 930 HG1 THR 930 -8.256 -5.083 -0.756 85 1HG2 THR 930 1HG2 THR 930 -7.346 -3.285 -3.567 86 2HG2 THR 930 2HG2 THR 930 -7.033 -4.760 -2.650 87 3HG2 THR 930 3HG2 THR 930 -8.636 -4.462 -3.321 88 H GLY 931 H GLY 931 -7.201 -2.896 1.510 89 1HA GLY 931 HA1 GLY 931 -8.563 -0.621 2.377 90 2HA GLY 931 HA2 GLY 931 -7.450 -1.558 3.363 91 H LEU 932 H LEU 932 -5.158 -1.028 1.563 92 HA LEU 932 HA LEU 932 -4.260 1.471 2.554 93 1HB LEU 932 HB1 LEU 932 -2.877 -0.535 1.667 94 2HB LEU 932 HB2 LEU 932 -3.188 0.124 0.074 95 HG LEU 932 HG LEU 932 -1.749 1.612 2.280 96 1HD1 LEU 932 1HD1 LEU 932 -0.465 -0.325 1.570 97 2HD1 LEU 932 2HD1 LEU 932 -0.630 0.169 -0.115 98 3HD1 LEU 932 3HD1 LEU 932 0.286 1.169 1.013 99 1HD2 LEU 932 1HD2 LEU 932 -2.825 3.075 0.634 100 2HD2 LEU 932 2HD2 LEU 932 -1.066 3.141 0.513 101 3HD2 LEU 932 3HD2 LEU 932 -2.000 2.216 -0.665 102 H VAL 933 H VAL 933 -5.479 0.398 -0.607 103 HA VAL 933 HA VAL 933 -5.514 2.890 -1.889 104 HB VAL 933 HB VAL 933 -7.527 0.662 -2.265 105 1HG1 VAL 933 1HG1 VAL 933 -6.647 2.886 -4.103 106 2HG1 VAL 933 2HG1 VAL 933 -7.718 1.558 -4.553 107 3HG1 VAL 933 3HG1 VAL 933 -8.223 2.724 -3.329 108 1HG2 VAL 933 1HG2 VAL 933 -6.023 -0.107 -4.069 109 2HG2 VAL 933 2HG2 VAL 933 -4.831 1.084 -3.549 110 3HG2 VAL 933 3HG2 VAL 933 -5.295 -0.232 -2.469 111 H LYS 934 H LYS 934 -7.947 1.357 0.170 112 HA LYS 934 HA LYS 934 -9.895 3.384 -0.010 113 1HB LYS 934 HB1 LYS 934 -9.372 1.133 1.873 114 2HB LYS 934 HB2 LYS 934 -10.478 2.393 2.391 115 1HG LYS 934 HG1 LYS 934 -11.780 0.647 1.456 116 2HG LYS 934 HG2 LYS 934 -11.798 1.981 0.308 117 1HD LYS 934 HD1 LYS 934 -9.730 -0.119 -0.040 118 2HD LYS 934 HD2 LYS 934 -11.397 -0.530 -0.442 119 1HE LYS 934 HE1 LYS 934 -9.999 1.908 -1.504 120 2HE LYS 934 HE2 LYS 934 -9.984 0.356 -2.339 121 1HZ LYS 934 HZ1 LYS 934 -12.412 0.439 -2.418 122 2HZ LYS 934 HZ2 LYS 934 -12.399 1.958 -1.665 123 3HZ LYS 934 HZ3 LYS 934 -11.723 1.773 -3.206 124 H ALA 935 H ALA 935 -6.989 3.085 1.877 125 HA ALA 935 HA ALA 935 -7.679 5.226 3.680 126 1HB ALA 935 HB1 ALA 935 -5.420 4.971 4.543 127 2HB ALA 935 HB2 ALA 935 -6.238 3.412 4.425 128 3HB ALA 935 HB3 ALA 935 -5.032 3.870 3.221 129 H VAL 936 H VAL 936 -5.980 4.918 0.620 130 HA VAL 936 HA VAL 936 -5.134 7.670 0.767 131 HB VAL 936 HB VAL 936 -3.733 6.096 -0.469 132 1HG1 VAL 936 1HG1 VAL 936 -5.462 4.644 -1.387 133 2HG1 VAL 936 2HG1 VAL 936 -6.007 5.945 -2.444 134 3HG1 VAL 936 3HG1 VAL 936 -4.402 5.250 -2.661 135 1HG2 VAL 936 1HG2 VAL 936 -3.568 8.425 -1.037 136 2HG2 VAL 936 2HG2 VAL 936 -3.398 7.457 -2.501 137 3HG2 VAL 936 3HG2 VAL 936 -4.918 8.286 -2.165 138 H ILE 937 H ILE 937 -7.958 5.974 -0.063 139 HA ILE 937 HA ILE 937 -9.275 8.044 -1.479 140 HB ILE 937 HB ILE 937 -10.457 6.048 0.470 141 1HG1 ILE 937 1HG1 ILE 937 -9.373 4.919 -1.389 142 2HG1 ILE 937 2HG1 ILE 937 -11.119 4.796 -1.557 143 1HG2 ILE 937 1HG2 ILE 937 -11.942 7.939 0.151 144 2HG2 ILE 937 2HG2 ILE 937 -11.818 7.768 -1.599 145 3HG2 ILE 937 3HG2 ILE 937 -12.595 6.506 -0.644 146 1HD1 ILE 937 1HD1 ILE 937 -11.077 6.597 -3.213 147 2HD1 ILE 937 2HD1 ILE 937 -9.322 6.683 -3.058 148 3HD1 ILE 937 3HD1 ILE 937 -10.079 5.224 -3.694 149 H GLU 938 H GLU 938 -8.608 7.372 1.883 150 HA GLU 938 HA GLU 938 -10.002 9.503 3.074 151 1HB GLU 938 HB1 GLU 938 -7.376 8.286 3.987 152 2HB GLU 938 HB2 GLU 938 -8.471 9.253 4.970 153 1HG GLU 938 HG1 GLU 938 -10.240 7.507 4.532 154 2HG GLU 938 HG2 GLU 938 -8.961 6.509 3.844 155 H MET 939 H MET 939 -6.601 9.300 2.027 156 HA MET 939 HA MET 939 -5.863 11.906 2.429 157 1HB MET 939 HB1 MET 939 -4.373 10.078 1.591 158 2HB MET 939 HB2 MET 939 -5.084 10.292 -0.005 159 1HG MET 939 HG1 MET 939 -4.355 12.715 0.163 160 2HG MET 939 HG2 MET 939 -3.391 12.215 1.550 161 1HE MET 939 HE1 MET 939 -3.844 12.174 -2.289 162 2HE MET 939 HE2 MET 939 -2.738 10.903 -2.815 163 3HE MET 939 HE3 MET 939 -4.201 10.486 -1.922 164 H SER 940 H SER 940 -7.648 10.603 -0.347 165 HA SER 940 HA SER 940 -7.707 12.958 -1.873 166 1HB SER 940 HB1 SER 940 -8.406 10.656 -2.643 167 2HB SER 940 HB2 SER 940 -9.902 10.883 -1.739 168 HG SER 940 HG SER 940 -9.169 11.864 -4.176 169 H SER 941 H SER 941 -9.684 11.871 0.829 170 HA SER 941 HA SER 941 -11.685 13.922 0.432 171 1HB SER 941 HB1 SER 941 -11.254 12.136 2.844 172 2HB SER 941 HB2 SER 941 -12.731 12.993 2.405 173 HG SER 941 HG SER 941 -11.510 10.885 0.930 174 H LYS 942 H LYS 942 -8.973 13.184 2.441 175 HA LYS 942 HA LYS 942 -9.220 15.296 4.282 176 1HB LYS 942 HB1 LYS 942 -7.573 13.029 3.860 177 2HB LYS 942 HB2 LYS 942 -6.507 14.420 4.007 178 1HG LYS 942 HG1 LYS 942 -8.664 13.743 5.994 179 2HG LYS 942 HG2 LYS 942 -6.977 13.240 6.146 180 1HD LYS 942 HD1 LYS 942 -6.241 15.514 6.213 181 2HD LYS 942 HD2 LYS 942 -7.867 16.092 5.841 182 1HE LYS 942 HE1 LYS 942 -7.265 16.332 8.237 183 2HE LYS 942 HE2 LYS 942 -8.686 15.324 7.973 184 1HZ LYS 942 HZ1 LYS 942 -7.402 13.370 8.346 185 2HZ LYS 942 HZ2 LYS 942 -5.954 14.248 8.403 186 3HZ LYS 942 HZ3 LYS 942 -7.102 14.430 9.630 187 H ILE 943 H ILE 943 -7.537 14.978 1.184 188 HA ILE 943 HA ILE 943 -6.105 17.435 1.446 189 HB ILE 943 HB ILE 943 -5.487 15.489 -0.081 190 1HG1 ILE 943 1HG1 ILE 943 -4.584 17.930 -0.165 191 2HG1 ILE 943 2HG1 ILE 943 -4.226 16.835 -1.491 192 1HG2 ILE 943 1HG2 ILE 943 -7.615 15.112 -1.142 193 2HG2 ILE 943 2HG2 ILE 943 -7.588 16.729 -1.846 194 3HG2 ILE 943 3HG2 ILE 943 -6.407 15.523 -2.359 195 1HD1 ILE 943 1HD1 ILE 943 -6.370 18.949 -1.483 196 2HD1 ILE 943 2HD1 ILE 943 -4.802 19.061 -2.283 197 3HD1 ILE 943 3HD1 ILE 943 -5.985 17.868 -2.823 198 H GLN 944 H GLN 944 -9.274 16.531 0.330 199 HA GLN 944 HA GLN 944 -9.988 18.639 -1.274 200 1HB GLN 944 HB1 GLN 944 -11.611 17.090 0.733 201 2HB GLN 944 HB2 GLN 944 -12.330 18.300 -0.323 202 1HG GLN 944 HG1 GLN 944 -11.707 17.055 -2.267 203 2HG GLN 944 HG2 GLN 944 -10.780 15.916 -1.295 204 1HE2 GLN 944 2HE2 GLN 944 -11.936 14.151 -1.981 205 2HE2 GLN 944 1HE2 GLN 944 -13.569 13.851 -1.490 206 HA PRO 945 HA PRO 945 -10.634 21.600 2.289 207 1HB PRO 945 HB1 PRO 945 -11.035 20.842 4.806 208 2HB PRO 945 HB2 PRO 945 -12.283 20.599 3.580 209 1HG PRO 945 HG1 PRO 945 -10.496 18.623 4.868 210 2HG PRO 945 HG2 PRO 945 -12.114 18.398 4.182 211 1HD PRO 945 HD1 PRO 945 -9.576 17.853 2.956 212 2HD PRO 945 HD2 PRO 945 -11.194 17.638 2.260 213 H ALA 946 H ALA 946 -7.980 19.985 1.936 214 HA ALA 946 HA ALA 946 -6.660 20.534 4.482 215 1HB ALA 946 HB1 ALA 946 -5.622 19.067 2.072 216 2HB ALA 946 HB2 ALA 946 -4.829 19.187 3.642 217 3HB ALA 946 HB3 ALA 946 -6.363 18.329 3.491 218 HA PRO 947 HA PRO 947 -3.939 23.653 2.685 219 1HB PRO 947 HB1 PRO 947 -3.012 24.556 5.031 220 2HB PRO 947 HB2 PRO 947 -4.613 25.040 4.457 221 1HG PRO 947 HG1 PRO 947 -3.870 22.989 6.503 222 2HG PRO 947 HG2 PRO 947 -5.201 24.161 6.521 223 1HD PRO 947 HD1 PRO 947 -5.447 21.497 5.803 224 2HD PRO 947 HD2 PRO 947 -6.575 22.785 5.339 225 HA PRO 948 HA PRO 948 -0.034 21.373 3.080 226 1HB PRO 948 HB1 PRO 948 1.072 23.579 4.766 227 2HB PRO 948 HB2 PRO 948 1.786 22.768 3.365 228 1HG PRO 948 HG1 PRO 948 0.732 25.191 3.102 229 2HG PRO 948 HG2 PRO 948 0.483 23.965 1.844 230 1HD PRO 948 HD1 PRO 948 -1.407 24.958 3.931 231 2HD PRO 948 HD2 PRO 948 -1.731 24.458 2.258 232 H GLU 949 H GLU 949 -1.194 22.955 5.989 233 HA GLU 949 HA GLU 949 0.019 21.442 7.961 234 1HB GLU 949 HB1 GLU 949 -2.658 22.802 7.812 235 2HB GLU 949 HB2 GLU 949 -2.146 21.950 9.262 236 1HG GLU 949 HG1 GLU 949 -1.750 24.375 9.363 237 2HG GLU 949 HG2 GLU 949 -0.278 23.426 9.540 238 H GLU 950 H GLU 950 -2.934 20.732 6.105 239 HA GLU 950 HA GLU 950 -3.175 18.197 7.530 240 1HB GLU 950 HB1 GLU 950 -5.027 19.501 5.542 241 2HB GLU 950 HB2 GLU 950 -5.306 17.935 6.299 242 1HG GLU 950 HG1 GLU 950 -5.089 20.582 7.721 243 2HG GLU 950 HG2 GLU 950 -6.569 19.673 7.419 244 H TYR 951 H TYR 951 -1.690 19.352 4.767 245 HA TYR 951 HA TYR 951 -1.947 17.186 3.007 246 1HB TYR 951 HB1 TYR 951 0.333 19.092 3.520 247 2HB TYR 951 HB2 TYR 951 0.460 17.809 2.325 248 HD1 TYR 951 HD1 TYR 951 0.878 20.486 1.450 249 HD2 TYR 951 HD2 TYR 951 -2.802 18.411 1.955 250 HE1 TYR 951 HE1 TYR 951 -0.158 21.928 -0.238 251 HE2 TYR 951 HE2 TYR 951 -3.852 19.852 0.263 252 HH TYR 951 HH TYR 951 -3.460 22.173 -0.687 253 H VAL 952 H VAL 952 0.070 17.692 5.849 254 HA VAL 952 HA VAL 952 1.356 15.160 5.541 255 HB VAL 952 HB VAL 952 2.805 16.305 6.784 256 1HG1 VAL 952 1HG1 VAL 952 0.523 17.805 8.054 257 2HG1 VAL 952 2HG1 VAL 952 2.225 18.067 8.432 258 3HG1 VAL 952 3HG1 VAL 952 1.625 18.381 6.804 259 1HG2 VAL 952 1HG2 VAL 952 2.247 14.436 8.244 260 2HG2 VAL 952 2HG2 VAL 952 2.704 15.854 9.189 261 3HG2 VAL 952 3HG2 VAL 952 1.005 15.405 9.037 262 HA PRO 953 HA PRO 953 -1.808 13.602 8.991 263 1HB PRO 953 HB1 PRO 953 -4.033 15.444 8.289 264 2HB PRO 953 HB2 PRO 953 -3.612 14.722 9.850 265 1HG PRO 953 HG1 PRO 953 -3.045 17.264 9.376 266 2HG PRO 953 HG2 PRO 953 -1.890 16.228 10.237 267 1HD PRO 953 HD1 PRO 953 -1.847 17.166 7.398 268 2HD PRO 953 HD2 PRO 953 -0.506 16.975 8.543 269 H MET 954 H MET 954 -2.854 14.894 5.832 270 HA MET 954 HA MET 954 -4.808 12.867 5.435 271 1HB MET 954 HB1 MET 954 -5.031 13.651 3.219 272 2HB MET 954 HB2 MET 954 -4.641 15.075 4.171 273 1HG MET 954 HG1 MET 954 -2.325 14.934 3.427 274 2HG MET 954 HG2 MET 954 -2.719 13.503 2.476 275 1HE MET 954 HE1 MET 954 -2.313 15.836 -0.494 276 2HE MET 954 HE2 MET 954 -1.275 15.574 0.908 277 3HE MET 954 HE3 MET 954 -2.090 14.207 0.148 278 H VAL 955 H VAL 955 -1.404 13.179 4.631 279 HA VAL 955 HA VAL 955 -1.230 10.647 3.360 280 HB VAL 955 HB VAL 955 0.952 12.340 4.620 281 1HG1 VAL 955 1HG1 VAL 955 1.180 9.981 2.757 282 2HG1 VAL 955 2HG1 VAL 955 2.511 10.985 3.334 283 3HG1 VAL 955 3HG1 VAL 955 1.604 9.985 4.470 284 1HG2 VAL 955 1HG2 VAL 955 -0.230 13.410 2.749 285 2HG2 VAL 955 2HG2 VAL 955 1.440 13.019 2.341 286 3HG2 VAL 955 3HG2 VAL 955 0.125 12.009 1.738 287 H LYS 956 H LYS 956 -1.240 11.736 6.658 288 HA LYS 956 HA LYS 956 -0.104 9.491 7.916 289 1HB LYS 956 HB1 LYS 956 -0.780 11.513 9.150 290 2HB LYS 956 HB2 LYS 956 -2.468 11.153 8.817 291 1HG LYS 956 HG1 LYS 956 -2.211 9.044 10.109 292 2HG LYS 956 HG2 LYS 956 -0.583 9.572 10.549 293 1HD LYS 956 HD1 LYS 956 -1.484 11.548 11.624 294 2HD LYS 956 HD2 LYS 956 -3.114 11.115 11.111 295 1HE LYS 956 HE1 LYS 956 -2.875 10.508 13.405 296 2HE LYS 956 HE2 LYS 956 -2.907 9.026 12.451 297 1HZ LYS 956 HZ1 LYS 956 -0.401 10.325 13.363 298 2HZ LYS 956 HZ2 LYS 956 -1.184 9.106 14.234 299 3HZ LYS 956 HZ3 LYS 956 -0.571 8.781 12.687 300 H GLU 957 H GLU 957 -3.342 10.109 6.691 301 HA GLU 957 HA GLU 957 -4.624 7.763 7.344 302 1HB GLU 957 HB1 GLU 957 -4.949 9.104 4.659 303 2HB GLU 957 HB2 GLU 957 -6.161 8.230 5.583 304 1HG GLU 957 HG1 GLU 957 -4.948 10.879 6.344 305 2HG GLU 957 HG2 GLU 957 -6.535 10.639 5.621 306 H VAL 958 H VAL 958 -2.682 8.399 4.378 307 HA VAL 958 HA VAL 958 -2.856 5.658 3.543 308 HB VAL 958 HB VAL 958 -1.454 6.182 1.718 309 1HG1 VAL 958 1HG1 VAL 958 -3.640 7.187 1.575 310 2HG1 VAL 958 2HG1 VAL 958 -3.068 8.631 2.409 311 3HG1 VAL 958 3HG1 VAL 958 -2.447 8.233 0.806 312 1HG2 VAL 958 1HG2 VAL 958 0.377 7.256 2.933 313 2HG2 VAL 958 2HG2 VAL 958 -0.117 8.207 1.534 314 3HG2 VAL 958 3HG2 VAL 958 -0.612 8.701 3.152 315 H GLY 959 H GLY 959 -0.724 7.381 5.641 316 1HA GLY 959 HA1 GLY 959 1.511 5.629 5.451 317 2HA GLY 959 HA2 GLY 959 1.182 6.751 6.765 318 H LEU 960 H LEU 960 -1.247 5.814 7.667 319 HA LEU 960 HA LEU 960 -0.525 3.498 9.150 320 1HB LEU 960 HB1 LEU 960 -3.166 4.907 8.773 321 2HB LEU 960 HB2 LEU 960 -2.939 3.552 9.863 322 HG LEU 960 HG LEU 960 -1.539 6.222 10.067 323 1HD1 LEU 960 1HD1 LEU 960 -3.898 6.365 10.650 324 2HD1 LEU 960 2HD1 LEU 960 -3.724 4.993 11.743 325 3HD1 LEU 960 3HD1 LEU 960 -2.891 6.508 12.090 326 1HD2 LEU 960 1HD2 LEU 960 -0.147 4.370 10.857 327 2HD2 LEU 960 2HD2 LEU 960 -0.692 5.382 12.196 328 3HD2 LEU 960 3HD2 LEU 960 -1.461 3.823 11.898 329 H ALA 961 H ALA 961 -2.112 4.070 6.171 330 HA ALA 961 HA ALA 961 -3.530 1.716 5.770 331 1HB ALA 961 HB1 ALA 961 -3.595 3.658 4.260 332 2HB ALA 961 HB2 ALA 961 -1.989 3.227 3.673 333 3HB ALA 961 HB3 ALA 961 -3.348 2.136 3.406 334 H LEU 962 H LEU 962 -0.150 2.358 4.705 335 HA LEU 962 HA LEU 962 0.237 -0.367 3.996 336 1HB LEU 962 HB1 LEU 962 1.510 1.272 2.836 337 2HB LEU 962 HB2 LEU 962 2.155 1.924 4.336 338 HG LEU 962 HG LEU 962 3.373 -0.219 4.692 339 1HD1 LEU 962 1HD1 LEU 962 2.404 -0.836 1.907 340 2HD1 LEU 962 2HD1 LEU 962 3.592 -1.767 2.819 341 3HD1 LEU 962 3HD1 LEU 962 1.925 -1.672 3.386 342 1HD2 LEU 962 1HD2 LEU 962 4.515 1.683 3.702 343 2HD2 LEU 962 2HD2 LEU 962 5.078 0.178 2.976 344 3HD2 LEU 962 3HD2 LEU 962 3.949 1.210 2.099 345 H ARG 963 H ARG 963 0.880 1.510 6.923 346 HA ARG 963 HA ARG 963 2.476 -0.387 8.237 347 1HB ARG 963 HB1 ARG 963 2.036 1.979 9.003 348 2HB ARG 963 HB2 ARG 963 0.453 1.448 9.546 349 1HG ARG 963 HG1 ARG 963 2.932 0.096 10.541 350 2HG ARG 963 HG2 ARG 963 2.381 1.610 11.255 351 1HD ARG 963 HD1 ARG 963 0.283 0.627 11.869 352 2HD ARG 963 HD2 ARG 963 0.662 -0.850 10.988 353 HE ARG 963 HE ARG 963 2.666 -0.702 12.792 354 1HH1 ARG 963 2HH1 ARG 963 -0.816 -0.483 13.083 355 2HH1 ARG 963 1HH1 ARG 963 -0.853 -1.187 14.675 356 1HH2 ARG 963 2HH2 ARG 963 2.611 -1.661 14.883 357 2HH2 ARG 963 1HH2 ARG 963 1.078 -1.871 15.685 358 H THR 964 H THR 964 -1.058 0.122 8.506 359 HA THR 964 HA THR 964 -1.645 -2.223 9.871 360 HB THR 964 HB THR 964 -3.434 -0.967 7.784 361 HG1 THR 964 HG1 THR 964 -3.186 0.746 9.032 362 1HG2 THR 964 1HG2 THR 964 -4.239 -3.088 8.706 363 2HG2 THR 964 2HG2 THR 964 -4.045 -2.458 10.342 364 3HG2 THR 964 3HG2 THR 964 -5.237 -1.744 9.256 365 H LEU 965 H LEU 965 -1.058 -1.657 6.493 366 HA LEU 965 HA LEU 965 -1.911 -4.147 5.485 367 1HB LEU 965 HB1 LEU 965 -0.866 -1.855 4.395 368 2HB LEU 965 HB2 LEU 965 0.434 -3.008 4.161 369 HG LEU 965 HG LEU 965 -2.399 -3.282 3.159 370 1HD1 LEU 965 1HD1 LEU 965 0.213 -2.822 1.732 371 2HD1 LEU 965 2HD1 LEU 965 -1.341 -3.121 0.955 372 3HD1 LEU 965 3HD1 LEU 965 -1.102 -1.661 1.917 373 1HD2 LEU 965 1HD2 LEU 965 -0.044 -5.138 2.823 374 2HD2 LEU 965 2HD2 LEU 965 -1.489 -5.459 3.783 375 3HD2 LEU 965 3HD2 LEU 965 -1.610 -5.302 2.029 376 H LEU 966 H LEU 966 1.240 -3.015 6.642 377 HA LEU 966 HA LEU 966 2.757 -5.286 6.386 378 1HB LEU 966 HB1 LEU 966 2.750 -3.326 8.676 379 2HB LEU 966 HB2 LEU 966 4.009 -4.517 8.403 380 HG LEU 966 HG LEU 966 3.295 -2.259 6.526 381 1HD1 LEU 966 1HD1 LEU 966 5.664 -2.641 8.351 382 2HD1 LEU 966 2HD1 LEU 966 5.463 -1.336 7.181 383 3HD1 LEU 966 3HD1 LEU 966 4.367 -1.462 8.557 384 1HD2 LEU 966 1HD2 LEU 966 4.110 -4.189 5.310 385 2HD2 LEU 966 2HD2 LEU 966 5.345 -2.929 5.340 386 3HD2 LEU 966 3HD2 LEU 966 5.486 -4.328 6.405 387 H ALA 967 H ALA 967 0.255 -4.700 8.815 388 HA ALA 967 HA ALA 967 0.774 -6.961 10.430 389 1HB ALA 967 HB1 ALA 967 -1.534 -6.773 11.171 390 2HB ALA 967 HB2 ALA 967 -0.792 -5.176 11.075 391 3HB ALA 967 HB3 ALA 967 -1.903 -5.708 9.814 392 H THR 968 H THR 968 -1.468 -6.552 7.703 393 HA THR 968 HA THR 968 -2.123 -9.198 7.235 394 HB THR 968 HB THR 968 -1.943 -6.745 5.565 395 HG1 THR 968 HG1 THR 968 -4.216 -7.994 5.260 396 1HG2 THR 968 1HG2 THR 968 -1.077 -8.434 4.041 397 2HG2 THR 968 2HG2 THR 968 -2.448 -9.481 4.400 398 3HG2 THR 968 3HG2 THR 968 -2.705 -7.946 3.571 399 H VAL 969 H VAL 969 0.619 -7.363 5.842 400 HA VAL 969 HA VAL 969 1.853 -9.339 4.430 401 HB VAL 969 HB VAL 969 3.207 -7.210 6.097 402 1HG1 VAL 969 1HG1 VAL 969 5.119 -7.476 4.601 403 2HG1 VAL 969 2HG1 VAL 969 4.788 -8.969 5.479 404 3HG1 VAL 969 3HG1 VAL 969 4.306 -8.814 3.789 405 1HG2 VAL 969 1HG2 VAL 969 1.625 -6.315 4.472 406 2HG2 VAL 969 2HG2 VAL 969 3.285 -5.950 4.000 407 3HG2 VAL 969 3HG2 VAL 969 2.402 -7.243 3.189 408 H ASP 970 H ASP 970 1.815 -9.004 7.932 409 HA ASP 970 HA ASP 970 3.871 -10.931 8.390 410 1HB ASP 970 HB1 ASP 970 3.250 -9.273 10.110 411 2HB ASP 970 HB2 ASP 970 1.658 -10.013 10.241 412 H GLU 971 H GLU 971 0.363 -11.185 8.047 413 HA GLU 971 HA GLU 971 0.146 -13.935 8.628 414 1HB GLU 971 HB1 GLU 971 -1.329 -12.508 6.406 415 2HB GLU 971 HB2 GLU 971 -1.875 -13.898 7.332 416 1HG GLU 971 HG1 GLU 971 -1.421 -11.160 8.481 417 2HG GLU 971 HG2 GLU 971 -2.989 -11.769 7.934 418 H SER 972 H SER 972 0.531 -12.300 5.512 419 HA SER 972 HA SER 972 1.238 -14.431 3.951 420 1HB SER 972 HB1 SER 972 0.725 -12.214 3.076 421 2HB SER 972 HB2 SER 972 2.221 -11.579 3.771 422 HG SER 972 HG SER 972 3.350 -13.084 2.413 423 H LEU 973 H LEU 973 3.193 -12.879 6.402 424 HA LEU 973 HA LEU 973 5.731 -13.359 5.318 425 1HB LEU 973 HB1 LEU 973 5.149 -11.904 7.312 426 2HB LEU 973 HB2 LEU 973 5.083 -13.366 8.273 427 HG LEU 973 HG LEU 973 7.576 -12.623 6.757 428 1HD1 LEU 973 1HD1 LEU 973 8.382 -11.522 8.781 429 2HD1 LEU 973 2HD1 LEU 973 6.959 -10.702 8.138 430 3HD1 LEU 973 3HD1 LEU 973 6.808 -11.756 9.544 431 1HD2 LEU 973 1HD2 LEU 973 7.071 -14.262 9.245 432 2HD2 LEU 973 2HD2 LEU 973 7.462 -14.892 7.644 433 3HD2 LEU 973 3HD2 LEU 973 8.652 -13.940 8.532 434 HA PRO 974 HA PRO 974 5.764 -17.763 7.501 435 1HB PRO 974 HB1 PRO 974 2.800 -18.088 7.565 436 2HB PRO 974 HB2 PRO 974 4.030 -18.774 8.633 437 1HG PRO 974 HG1 PRO 974 2.533 -16.735 9.439 438 2HG PRO 974 HG2 PRO 974 4.257 -16.812 9.851 439 1HD PRO 974 HD1 PRO 974 2.864 -15.141 7.812 440 2HD PRO 974 HD2 PRO 974 4.259 -14.747 8.834 441 H VAL 975 H VAL 975 3.343 -16.411 5.336 442 HA VAL 975 HA VAL 975 3.417 -18.726 3.568 443 HB VAL 975 HB VAL 975 2.417 -16.011 2.779 444 1HG1 VAL 975 1HG1 VAL 975 1.679 -18.827 1.998 445 2HG1 VAL 975 2HG1 VAL 975 0.900 -17.361 1.399 446 3HG1 VAL 975 3HG1 VAL 975 2.596 -17.674 1.029 447 1HG2 VAL 975 1HG2 VAL 975 0.883 -18.135 4.282 448 2HG2 VAL 975 2HG2 VAL 975 1.444 -16.610 4.967 449 3HG2 VAL 975 3HG2 VAL 975 0.243 -16.608 3.675 450 H LEU 976 H LEU 976 5.396 -15.910 3.970 451 HA LEU 976 HA LEU 976 6.582 -15.724 1.452 452 1HB LEU 976 HB1 LEU 976 7.664 -15.184 4.196 453 2HB LEU 976 HB2 LEU 976 8.751 -15.188 2.825 454 HG LEU 976 HG LEU 976 7.640 -13.338 1.823 455 1HD1 LEU 976 1HD1 LEU 976 5.782 -12.181 2.866 456 2HD1 LEU 976 2HD1 LEU 976 5.342 -13.832 2.430 457 3HD1 LEU 976 3HD1 LEU 976 5.694 -13.427 4.110 458 1HD2 LEU 976 1HD2 LEU 976 8.146 -12.908 4.757 459 2HD2 LEU 976 2HD2 LEU 976 9.329 -12.820 3.453 460 3HD2 LEU 976 3HD2 LEU 976 8.034 -11.628 3.549 461 HA PRO 977 HA PRO 977 9.866 -19.107 2.672 462 1HB PRO 977 HB1 PRO 977 9.052 -20.764 4.741 463 2HB PRO 977 HB2 PRO 977 10.246 -19.471 4.886 464 1HG PRO 977 HG1 PRO 977 7.342 -19.457 5.577 465 2HG PRO 977 HG2 PRO 977 8.708 -18.728 6.442 466 1HD PRO 977 HD1 PRO 977 7.075 -17.235 4.950 467 2HD PRO 977 HD2 PRO 977 8.821 -16.915 4.997 468 H ALA 978 H ALA 978 6.424 -19.665 3.251 469 HA ALA 978 HA ALA 978 6.200 -22.212 2.140 470 1HB ALA 978 HB1 ALA 978 3.862 -21.654 1.717 471 2HB ALA 978 HB2 ALA 978 4.367 -21.087 3.310 472 3HB ALA 978 HB3 ALA 978 4.216 -19.946 1.974 473 H SER 979 H SER 979 5.724 -19.064 0.508 474 HA SER 979 HA SER 979 7.005 -19.983 -1.889 475 1HB SER 979 HB1 SER 979 3.994 -19.654 -1.835 476 2HB SER 979 HB2 SER 979 4.939 -19.653 -3.325 477 HG SER 979 HG SER 979 5.504 -21.789 -1.700 478 H THR 980 H THR 980 4.762 -17.649 -0.507 479 HA THR 980 HA THR 980 4.738 -15.634 -2.330 480 HB THR 980 HB THR 980 4.768 -15.226 0.651 481 HG1 THR 980 HG1 THR 980 2.625 -15.786 0.570 482 1HG2 THR 980 1HG2 THR 980 3.414 -13.681 -1.563 483 2HG2 THR 980 2HG2 THR 980 3.303 -13.339 0.164 484 3HG2 THR 980 3HG2 THR 980 4.843 -13.154 -0.675 485 H HIS 981 H HIS 981 7.493 -16.323 -0.289 486 HA HIS 981 HA HIS 981 8.431 -13.830 0.278 487 1HB HIS 981 HB1 HIS 981 10.652 -14.762 0.547 488 2HB HIS 981 HB2 HIS 981 9.450 -15.887 1.160 489 HD1 HIS 981 HD1 HIS 981 9.134 -18.107 -0.140 490 HD2 HIS 981 HD2 HIS 981 12.172 -15.677 -1.596 491 HE1 HIS 981 HE1 HIS 981 10.467 -19.557 -1.703 492 HE2 HIS 981 HE2 HIS 981 12.431 -18.132 -2.377 493 H ARG 982 H ARG 982 8.854 -15.411 -2.914 494 HA ARG 982 HA ARG 982 10.662 -13.486 -3.874 495 1HB ARG 982 HB1 ARG 982 8.593 -15.046 -5.425 496 2HB ARG 982 HB2 ARG 982 9.991 -14.230 -6.109 497 1HG ARG 982 HG1 ARG 982 11.471 -15.733 -4.870 498 2HG ARG 982 HG2 ARG 982 10.061 -16.557 -4.199 499 1HD ARG 982 HD1 ARG 982 10.909 -17.820 -6.067 500 2HD ARG 982 HD2 ARG 982 9.346 -17.126 -6.493 501 HE ARG 982 HE ARG 982 11.787 -15.720 -7.296 502 1HH1 ARG 982 2HH1 ARG 982 8.962 -17.590 -8.176 503 2HH1 ARG 982 1HH1 ARG 982 9.096 -17.234 -9.874 504 1HH2 ARG 982 2HH2 ARG 982 11.977 -15.261 -9.525 505 2HH2 ARG 982 1HH2 ARG 982 10.804 -15.910 -10.636 506 H GLU 983 H GLU 983 7.121 -13.646 -4.398 507 HA GLU 983 HA GLU 983 7.019 -11.105 -5.609 508 1HB GLU 983 HB1 GLU 983 5.186 -13.043 -5.429 509 2HB GLU 983 HB2 GLU 983 4.586 -11.959 -4.176 510 1HG GLU 983 HG1 GLU 983 3.494 -11.166 -6.044 511 2HG GLU 983 HG2 GLU 983 4.911 -10.108 -5.946 512 H ILE 984 H ILE 984 6.354 -12.081 -2.274 513 HA ILE 984 HA ILE 984 5.265 -9.640 -1.462 514 HB ILE 984 HB ILE 984 5.118 -11.682 -0.104 515 1HG1 ILE 984 1HG1 ILE 984 5.638 -10.637 2.115 516 2HG1 ILE 984 2HG1 ILE 984 6.464 -9.336 1.268 517 1HG2 ILE 984 1HG2 ILE 984 8.049 -11.184 0.407 518 2HG2 ILE 984 2HG2 ILE 984 7.055 -12.382 1.235 519 3HG2 ILE 984 3HG2 ILE 984 7.355 -12.531 -0.497 520 1HD1 ILE 984 1HD1 ILE 984 3.547 -10.026 1.059 521 2HD1 ILE 984 2HD1 ILE 984 4.248 -8.650 1.912 522 3HD1 ILE 984 3HD1 ILE 984 4.362 -8.752 0.154 523 H GLU 985 H GLU 985 8.636 -10.766 -1.596 524 HA GLU 985 HA GLU 985 9.652 -8.389 -0.428 525 1HB GLU 985 HB1 GLU 985 11.849 -9.102 -1.075 526 2HB GLU 985 HB2 GLU 985 10.949 -10.481 -0.466 527 1HG GLU 985 HG1 GLU 985 10.643 -11.348 -2.649 528 2HG GLU 985 HG2 GLU 985 11.283 -9.875 -3.389 529 H MET 986 H MET 986 8.736 -9.135 -3.759 530 HA MET 986 HA MET 986 10.150 -6.892 -4.817 531 1HB MET 986 HB1 MET 986 9.066 -7.203 -6.887 532 2HB MET 986 HB2 MET 986 9.351 -8.811 -6.246 533 1HG MET 986 HG1 MET 986 7.121 -9.204 -5.874 534 2HG MET 986 HG2 MET 986 6.723 -7.489 -5.759 535 1HE MET 986 HE1 MET 986 7.984 -10.278 -8.267 536 2HE MET 986 HE2 MET 986 7.818 -9.434 -9.806 537 3HE MET 986 HE3 MET 986 9.006 -8.885 -8.623 538 H ALA 987 H ALA 987 6.810 -7.428 -3.857 539 HA ALA 987 HA ALA 987 5.969 -4.779 -4.377 540 1HB ALA 987 HB1 ALA 987 4.693 -6.809 -2.566 541 2HB ALA 987 HB2 ALA 987 3.928 -5.382 -3.265 542 3HB ALA 987 HB3 ALA 987 4.446 -6.706 -4.307 543 H GLN 988 H GLN 988 6.871 -6.471 -1.387 544 HA GLN 988 HA GLN 988 6.152 -4.445 0.364 545 1HB GLN 988 HB1 GLN 988 6.691 -6.669 1.159 546 2HB GLN 988 HB2 GLN 988 8.363 -6.489 0.644 547 1HG GLN 988 HG1 GLN 988 8.640 -4.669 2.283 548 2HG GLN 988 HG2 GLN 988 6.988 -4.948 2.835 549 1HE2 GLN 988 2HE2 GLN 988 10.234 -6.183 2.752 550 2HE2 GLN 988 1HE2 GLN 988 10.014 -7.405 3.954 551 H LYS 989 H LYS 989 9.326 -4.988 -1.189 552 HA LYS 989 HA LYS 989 10.606 -2.755 0.004 553 1HB LYS 989 HB1 LYS 989 11.881 -4.557 -1.067 554 2HB LYS 989 HB2 LYS 989 11.177 -4.151 -2.624 555 1HG LYS 989 HG1 LYS 989 13.451 -3.320 -2.444 556 2HG LYS 989 HG2 LYS 989 12.304 -1.987 -2.577 557 1HD LYS 989 HD1 LYS 989 12.406 -1.684 -0.138 558 2HD LYS 989 HD2 LYS 989 13.588 -2.988 -0.037 559 1HE LYS 989 HE1 LYS 989 13.964 -0.456 -1.629 560 2HE LYS 989 HE2 LYS 989 14.592 -0.713 -0.001 561 1HZ LYS 989 HZ1 LYS 989 16.263 -1.132 -1.709 562 2HZ LYS 989 HZ2 LYS 989 15.929 -2.537 -0.822 563 3HZ LYS 989 HZ3 LYS 989 15.295 -2.349 -2.386 564 H LEU 990 H LEU 990 8.666 -3.234 -2.835 565 HA LEU 990 HA LEU 990 8.960 -0.673 -3.986 566 1HB LEU 990 HB1 LEU 990 8.196 -2.166 -5.506 567 2HB LEU 990 HB2 LEU 990 7.302 -3.085 -4.322 568 HG LEU 990 HG LEU 990 5.509 -1.386 -4.414 569 1HD1 LEU 990 1HD1 LEU 990 6.877 0.507 -5.198 570 2HD1 LEU 990 2HD1 LEU 990 7.107 -0.310 -6.743 571 3HD1 LEU 990 3HD1 LEU 990 5.496 0.221 -6.257 572 1HD2 LEU 990 1HD2 LEU 990 4.658 -2.097 -6.594 573 2HD2 LEU 990 2HD2 LEU 990 6.267 -2.673 -7.028 574 3HD2 LEU 990 3HD2 LEU 990 5.385 -3.436 -5.706 575 H LEU 991 H LEU 991 6.712 -2.015 -1.608 576 HA LEU 991 HA LEU 991 4.961 0.164 -1.370 577 1HB LEU 991 HB1 LEU 991 5.912 -1.531 0.930 578 2HB LEU 991 HB2 LEU 991 4.394 -0.665 0.799 579 HG LEU 991 HG LEU 991 5.087 -2.937 -1.033 580 1HD1 LEU 991 1HD1 LEU 991 3.760 -4.366 0.473 581 2HD1 LEU 991 2HD1 LEU 991 5.235 -3.776 1.242 582 3HD1 LEU 991 3HD1 LEU 991 3.679 -3.043 1.635 583 1HD2 LEU 991 1HD2 LEU 991 2.497 -1.652 -0.184 584 2HD2 LEU 991 2HD2 LEU 991 3.276 -1.514 -1.760 585 3HD2 LEU 991 3HD2 LEU 991 2.636 -3.069 -1.227 586 H ASN 992 H ASN 992 7.719 -0.696 0.677 587 HA ASN 992 HA ASN 992 7.984 1.459 2.249 588 1HB ASN 992 HB1 ASN 992 9.426 -0.547 2.291 589 2HB ASN 992 HB2 ASN 992 10.269 0.046 0.864 590 1HD2 ASN 992 2HD2 ASN 992 9.863 0.328 4.276 591 2HD2 ASN 992 1HD2 ASN 992 11.143 1.466 4.554 592 H SER 993 H SER 993 9.151 1.276 -1.110 593 HA SER 993 HA SER 993 10.357 3.869 -0.966 594 1HB SER 993 HB1 SER 993 10.566 3.556 -3.480 595 2HB SER 993 HB2 SER 993 11.358 2.339 -2.479 596 HG SER 993 HG SER 993 8.860 2.113 -3.830 597 H ASP 994 H ASP 994 7.318 2.595 -2.341 598 HA ASP 994 HA ASP 994 6.826 5.146 -3.596 599 1HB ASP 994 HB1 ASP 994 5.352 2.530 -3.627 600 2HB ASP 994 HB2 ASP 994 4.707 3.982 -4.392 601 H LEU 995 H LEU 995 5.349 3.326 -0.874 602 HA LEU 995 HA LEU 995 3.476 5.294 -0.194 603 1HB LEU 995 HB1 LEU 995 3.333 3.226 0.983 604 2HB LEU 995 HB2 LEU 995 5.014 3.286 1.459 605 HG LEU 995 HG LEU 995 3.255 3.616 3.266 606 1HD1 LEU 995 1HD1 LEU 995 4.554 5.310 4.458 607 2HD1 LEU 995 2HD1 LEU 995 5.588 4.123 3.663 608 3HD1 LEU 995 3HD1 LEU 995 5.383 5.726 2.957 609 1HD2 LEU 995 1HD2 LEU 995 1.765 5.115 2.100 610 2HD2 LEU 995 2HD2 LEU 995 2.396 5.895 3.550 611 3HD2 LEU 995 3HD2 LEU 995 3.042 6.325 1.967 612 H ALA 996 H ALA 996 6.902 4.921 0.809 613 HA ALA 996 HA ALA 996 7.233 7.220 2.192 614 1HB ALA 996 HB1 ALA 996 9.250 6.104 0.265 615 2HB ALA 996 HB2 ALA 996 9.581 7.157 1.640 616 3HB ALA 996 HB3 ALA 996 8.972 5.522 1.907 617 H GLU 997 H GLU 997 6.712 7.100 -1.261 618 HA GLU 997 HA GLU 997 7.863 9.750 -1.575 619 1HB GLU 997 HB1 GLU 997 6.199 8.192 -3.555 620 2HB GLU 997 HB2 GLU 997 7.044 9.707 -3.862 621 1HG GLU 997 HG1 GLU 997 9.175 8.530 -3.294 622 2HG GLU 997 HG2 GLU 997 8.262 7.024 -3.265 623 H LEU 998 H LEU 998 4.768 8.222 -1.101 624 HA LEU 998 HA LEU 998 3.319 10.695 -1.413 625 1HB LEU 998 HB1 LEU 998 2.317 8.426 -1.852 626 2HB LEU 998 HB2 LEU 998 2.347 8.149 -0.121 627 HG LEU 998 HG LEU 998 0.777 9.944 0.264 628 1HD1 LEU 998 1HD1 LEU 998 -0.184 11.226 -1.589 629 2HD1 LEU 998 2HD1 LEU 998 1.553 11.495 -1.440 630 3HD1 LEU 998 3HD1 LEU 998 0.931 10.436 -2.706 631 1HD2 LEU 998 1HD2 LEU 998 -1.173 9.083 -0.924 632 2HD2 LEU 998 2HD2 LEU 998 -0.115 8.216 -2.038 633 3HD2 LEU 998 3HD2 LEU 998 -0.154 7.770 -0.332 634 H ILE 999 H ILE 999 4.808 8.851 1.173 635 HA ILE 999 HA ILE 999 3.821 10.598 3.239 636 HB ILE 999 HB ILE 999 4.787 8.149 3.476 637 1HG1 ILE 999 1HG1 ILE 999 5.369 10.306 5.515 638 2HG1 ILE 999 2HG1 ILE 999 3.803 9.541 5.269 639 1HG2 ILE 999 1HG2 ILE 999 7.011 8.633 2.635 640 2HG2 ILE 999 2HG2 ILE 999 7.251 9.830 3.908 641 3HG2 ILE 999 3HG2 ILE 999 7.086 8.122 4.321 642 1HD1 ILE 999 1HD1 ILE 999 4.782 7.383 5.909 643 2HD1 ILE 999 2HD1 ILE 999 6.322 8.188 6.207 644 3HD1 ILE 999 3HD1 ILE 999 4.912 8.591 7.187 645 H ASN1000 H ASN1000 5.776 11.054 0.723 646 HA ASN1000 HA ASN1000 7.313 13.170 2.069 647 1HB ASN1000 HB1 ASN1000 7.834 11.620 -0.418 648 2HB ASN1000 HB2 ASN1000 8.230 13.334 -0.453 649 1HD2 ASN1000 2HD2 ASN1000 8.947 10.264 0.981 650 2HD2 ASN1000 1HD2 ASN1000 10.468 10.725 1.672 651 H LYS1001 H LYS1001 4.517 12.527 0.272 652 HA LYS1001 HA LYS1001 4.161 15.250 -0.560 653 1HB LYS1001 HB1 LYS1001 2.652 13.716 -1.573 654 2HB LYS1001 HB2 LYS1001 2.243 12.979 -0.030 655 1HG LYS1001 HG1 LYS1001 0.436 14.379 -0.926 656 2HG LYS1001 HG2 LYS1001 1.020 14.946 0.638 657 1HD LYS1001 HD1 LYS1001 2.428 16.607 -0.556 658 2HD LYS1001 HD2 LYS1001 1.689 16.089 -2.072 659 1HE LYS1001 HE1 LYS1001 -0.534 16.670 -1.096 660 2HE LYS1001 HE2 LYS1001 0.313 17.349 0.293 661 1HZ LYS1001 HZ1 LYS1001 0.618 18.244 -2.516 662 2HZ LYS1001 HZ2 LYS1001 -0.268 19.046 -1.321 663 3HZ LYS1001 HZ3 LYS1001 1.414 18.903 -1.176 664 H MET1002 H MET1002 3.593 13.289 2.253 665 HA MET1002 HA MET1002 2.566 15.262 3.976 666 1HB MET1002 HB1 MET1002 2.388 13.037 4.747 667 2HB MET1002 HB2 MET1002 4.066 12.677 4.365 668 1HG MET1002 HG1 MET1002 4.724 14.256 6.189 669 2HG MET1002 HG2 MET1002 3.021 14.348 6.634 670 1HE MET1002 HE1 MET1002 1.623 12.260 7.569 671 2HE MET1002 HE2 MET1002 2.043 11.372 6.104 672 3HE MET1002 HE3 MET1002 2.284 10.629 7.685 673 H LYS1003 H LYS1003 5.829 13.903 3.652 674 HA LYS1003 HA LYS1003 7.023 15.759 5.389 675 1HB LYS1003 HB1 LYS1003 8.033 13.743 3.439 676 2HB LYS1003 HB2 LYS1003 9.159 14.931 4.089 677 1HG LYS1003 HG1 LYS1003 8.415 14.236 6.370 678 2HG LYS1003 HG2 LYS1003 7.543 12.910 5.595 679 1HD LYS1003 HD1 LYS1003 9.559 11.970 4.748 680 2HD LYS1003 HD2 LYS1003 10.488 13.399 5.206 681 1HE LYS1003 HE1 LYS1003 10.916 11.609 6.771 682 2HE LYS1003 HE2 LYS1003 10.034 12.906 7.575 683 1HZ LYS1003 HZ1 LYS1003 9.172 10.733 8.171 684 2HZ LYS1003 HZ2 LYS1003 7.999 11.628 7.336 685 3HZ LYS1003 HZ3 LYS1003 8.845 10.386 6.542 686 H LEU1004 H LEU1004 7.069 15.598 1.826 687 HA LEU1004 HA LEU1004 8.970 17.750 1.813 688 1HB LEU1004 HB1 LEU1004 9.301 15.817 0.397 689 2HB LEU1004 HB2 LEU1004 7.780 16.115 -0.410 690 HG LEU1004 HG LEU1004 9.785 18.294 -0.552 691 1HD1 LEU1004 1HD1 LEU1004 11.194 16.331 -0.846 692 2HD1 LEU1004 2HD1 LEU1004 10.081 15.700 -2.061 693 3HD1 LEU1004 3HD1 LEU1004 10.982 17.184 -2.375 694 1HD2 LEU1004 1HD2 LEU1004 8.906 18.504 -2.794 695 2HD2 LEU1004 2HD2 LEU1004 8.022 16.984 -2.624 696 3HD2 LEU1004 3HD2 LEU1004 7.567 18.384 -1.652 697 H ALA1005 H ALA1005 5.555 17.376 1.042 698 HA ALA1005 HA ALA1005 5.386 19.880 -0.332 699 1HB ALA1005 HB1 ALA1005 3.181 18.333 1.020 700 2HB ALA1005 HB2 ALA1005 2.977 19.664 -0.118 701 3HB ALA1005 HB3 ALA1005 3.693 18.146 -0.659 702 H GLN1006 H GLN1006 4.762 18.819 2.982 703 HA GLN1006 HA GLN1006 4.161 21.470 3.901 704 1HB GLN1006 HB1 GLN1006 3.796 20.497 5.990 705 2HB GLN1006 HB2 GLN1006 3.400 19.191 4.882 706 1HG GLN1006 HG1 GLN1006 4.645 18.067 6.414 707 2HG GLN1006 HG2 GLN1006 5.895 18.513 5.261 708 1HE2 GLN1006 2HE2 GLN1006 4.410 20.726 7.538 709 2HE2 GLN1006 1HE2 GLN1006 5.828 20.958 8.511 710 H GLN1007 H GLN1007 6.961 19.477 3.484 711 HA GLN1007 HA GLN1007 8.803 20.574 5.199 712 1HB GLN1007 HB1 GLN1007 8.987 18.660 3.468 713 2HB GLN1007 HB2 GLN1007 9.516 19.918 2.368 714 1HG GLN1007 HG1 GLN1007 11.355 18.673 3.440 715 2HG GLN1007 HG2 GLN1007 11.406 20.413 3.751 716 1HE2 GLN1007 2HE2 GLN1007 10.666 17.275 5.119 717 2HE2 GLN1007 1HE2 GLN1007 10.747 17.769 6.775 718 H TYR1008 H TYR1008 8.082 21.691 1.889 719 HA TYR1008 HA TYR1008 9.859 23.959 2.357 720 1HB TYR1008 HB1 TYR1008 8.318 23.325 -0.151 721 2HB TYR1008 HB2 TYR1008 9.699 24.399 0.017 722 HD1 TYR1008 HD1 TYR1008 8.729 21.364 -1.235 723 HD2 TYR1008 HD2 TYR1008 11.826 23.062 1.155 724 HE1 TYR1008 HE1 TYR1008 10.235 19.542 -1.893 725 HE2 TYR1008 HE2 TYR1008 13.334 21.226 0.515 726 HH TYR1008 HH TYR1008 13.077 18.827 -0.276 727 H VAL1009 H VAL1009 6.525 23.385 1.282 728 HA VAL1009 HA VAL1009 4.774 24.804 0.962 729 HB VAL1009 HB VAL1009 4.575 24.045 3.300 730 1HG1 VAL1009 1HG1 VAL1009 6.518 25.082 4.299 731 2HG1 VAL1009 2HG1 VAL1009 5.826 26.682 4.032 732 3HG1 VAL1009 3HG1 VAL1009 5.052 25.563 5.155 733 1HG2 VAL1009 1HG2 VAL1009 2.916 25.696 4.009 734 2HG2 VAL1009 2HG2 VAL1009 3.531 26.824 2.801 735 3HG2 VAL1009 3HG2 VAL1009 2.777 25.312 2.294 736 H MET1010 H MET1010 6.847 25.975 -0.266 737 HA MET1010 HA MET1010 7.099 28.710 0.674 738 1HB MET1010 HB1 MET1010 8.416 27.139 -1.516 739 2HB MET1010 HB2 MET1010 8.533 28.894 -1.478 740 1HG MET1010 HG1 MET1010 9.404 27.029 0.721 741 2HG MET1010 HG2 MET1010 10.468 27.818 -0.444 742 1HE MET1010 HE1 MET1010 10.918 28.024 2.701 743 2HE MET1010 HE2 MET1010 11.944 28.798 1.493 744 3HE MET1010 HE3 MET1010 11.314 29.737 2.847 745 H THR1011 H THR1011 5.047 29.485 0.415 746 HA THR1011 HA THR1011 3.273 30.451 -0.614 747 HB THR1011 HB THR1011 3.930 32.149 -2.320 748 HG1 THR1011 HG1 THR1011 6.428 32.284 -2.324 749 1HG2 THR1011 1HG2 THR1011 5.607 31.984 0.184 750 2HG2 THR1011 2HG2 THR1011 5.351 33.442 -0.775 751 3HG2 THR1011 3HG2 THR1011 3.991 32.676 0.046 752 H SER1012 H SER1012 4.768 30.532 -3.733 753 HA SER1012 HA SER1012 2.497 29.038 -4.803 754 1HB SER1012 HB1 SER1012 3.243 29.977 -6.988 755 2HB SER1012 HB2 SER1012 2.893 31.218 -5.786 756 HG SER1012 HG SER1012 5.324 30.437 -6.910 757 H LEU1013 H LEU1013 5.930 28.835 -4.416 758 HA LEU1013 HA LEU1013 6.433 26.875 -6.419 759 1HB LEU1013 HB1 LEU1013 7.985 27.740 -3.984 760 2HB LEU1013 HB2 LEU1013 8.557 26.490 -5.070 761 HG LEU1013 HG LEU1013 8.413 28.235 -6.925 762 1HD1 LEU1013 1HD1 LEU1013 8.235 30.083 -4.552 763 2HD1 LEU1013 2HD1 LEU1013 8.541 30.574 -6.219 764 3HD1 LEU1013 3HD1 LEU1013 6.994 29.846 -5.782 765 1HD2 LEU1013 1HD2 LEU1013 10.523 27.490 -5.999 766 2HD2 LEU1013 2HD2 LEU1013 10.575 29.226 -6.304 767 3HD2 LEU1013 3HD2 LEU1013 10.361 28.626 -4.659 768 H GLN1014 H GLN1014 4.950 26.792 -3.395 769 HA GLN1014 HA GLN1014 5.514 24.214 -2.489 770 1HB GLN1014 HB1 GLN1014 4.154 26.046 -1.331 771 2HB GLN1014 HB2 GLN1014 2.801 25.531 -2.323 772 1HG GLN1014 HG1 GLN1014 4.227 23.542 -0.600 773 2HG GLN1014 HG2 GLN1014 3.040 24.643 0.099 774 1HE2 GLN1014 2HE2 GLN1014 3.577 21.937 -1.945 775 2HE2 GLN1014 1HE2 GLN1014 1.914 21.567 -2.255 776 H GLN1015 H GLN1015 3.465 25.362 -5.090 777 HA GLN1015 HA GLN1015 1.834 23.104 -5.363 778 1HB GLN1015 HB1 GLN1015 2.560 25.376 -7.087 779 2HB GLN1015 HB2 GLN1015 1.825 23.985 -7.860 780 1HG GLN1015 HG1 GLN1015 0.169 25.659 -7.283 781 2HG GLN1015 HG2 GLN1015 -0.096 24.165 -6.386 782 1HE2 GLN1015 2HE2 GLN1015 0.904 27.476 -6.209 783 2HE2 GLN1015 1HE2 GLN1015 0.783 27.636 -4.491 784 H GLU1016 H GLU1016 5.136 23.614 -6.490 785 HA GLU1016 HA GLU1016 5.430 21.422 -8.171 786 1HB GLU1016 HB1 GLU1016 7.384 22.647 -7.873 787 2HB GLU1016 HB2 GLU1016 7.203 22.703 -6.127 788 1HG GLU1016 HG1 GLU1016 9.075 21.320 -6.705 789 2HG GLU1016 HG2 GLU1016 7.816 20.326 -5.994 790 H TYR1017 H TYR1017 5.916 21.470 -4.701 791 HA TYR1017 HA TYR1017 5.985 18.731 -4.271 792 1HB TYR1017 HB1 TYR1017 4.976 20.527 -2.092 793 2HB TYR1017 HB2 TYR1017 6.234 19.292 -2.053 794 HD1 TYR1017 HD1 TYR1017 5.845 22.598 -1.564 795 HD2 TYR1017 HD2 TYR1017 8.138 19.993 -4.015 796 HE1 TYR1017 HE1 TYR1017 7.507 24.378 -1.895 797 HE2 TYR1017 HE2 TYR1017 9.814 21.749 -4.344 798 HH TYR1017 HH TYR1017 9.966 24.196 -4.248 799 H LYS1018 H LYS1018 3.275 20.852 -4.738 800 HA LYS1018 HA LYS1018 1.283 18.954 -3.912 801 1HB LYS1018 HB1 LYS1018 0.868 21.393 -3.957 802 2HB LYS1018 HB2 LYS1018 1.016 21.373 -5.708 803 1HG LYS1018 HG1 LYS1018 -0.945 19.973 -5.893 804 2HG LYS1018 HG2 LYS1018 -1.075 19.881 -4.137 805 1HD LYS1018 HD1 LYS1018 -1.330 22.379 -5.817 806 2HD LYS1018 HD2 LYS1018 -2.653 21.509 -5.038 807 1HE LYS1018 HE1 LYS1018 -1.534 21.936 -2.843 808 2HE LYS1018 HE2 LYS1018 -0.377 22.957 -3.691 809 1HZ LYS1018 HZ1 LYS1018 -2.215 24.376 -4.394 810 2HZ LYS1018 HZ2 LYS1018 -3.315 23.392 -3.562 811 3HZ LYS1018 HZ3 LYS1018 -2.138 24.265 -2.702 812 H LYS1019 H LYS1019 2.649 19.934 -7.053 813 HA LYS1019 HA LYS1019 1.068 18.153 -8.607 814 1HB LYS1019 HB1 LYS1019 2.304 20.172 -9.472 815 2HB LYS1019 HB2 LYS1019 3.802 19.281 -9.269 816 1HG LYS1019 HG1 LYS1019 1.628 18.125 -10.951 817 2HG LYS1019 HG2 LYS1019 2.642 19.415 -11.595 818 1HD LYS1019 HD1 LYS1019 3.677 16.825 -10.442 819 2HD LYS1019 HD2 LYS1019 3.459 17.140 -12.163 820 1HE LYS1019 HE1 LYS1019 5.277 18.668 -10.296 821 2HE LYS1019 HE2 LYS1019 5.788 17.467 -11.481 822 1HZ LYS1019 HZ1 LYS1019 4.618 20.142 -11.991 823 2HZ LYS1019 HZ2 LYS1019 6.135 19.558 -12.462 824 3HZ LYS1019 HZ3 LYS1019 4.733 18.951 -13.197 825 H GLN1020 H GLN1020 4.314 17.980 -7.235 826 HA GLN1020 HA GLN1020 5.049 15.420 -7.964 827 1HB GLN1020 HB1 GLN1020 6.426 17.141 -6.783 828 2HB GLN1020 HB2 GLN1020 5.565 16.754 -5.302 829 1HG GLN1020 HG1 GLN1020 6.506 14.601 -5.201 830 2HG GLN1020 HG2 GLN1020 7.099 14.700 -6.860 831 1HE2 GLN1020 2HE2 GLN1020 7.992 17.461 -6.541 832 2HE2 GLN1020 1HE2 GLN1020 9.451 17.375 -5.610 833 H MET1021 H MET1021 2.825 16.466 -5.446 834 HA MET1021 HA MET1021 2.354 14.069 -4.111 835 1HB MET1021 HB1 MET1021 1.332 16.077 -3.318 836 2HB MET1021 HB2 MET1021 0.492 16.324 -4.840 837 1HG MET1021 HG1 MET1021 -0.748 14.175 -4.352 838 2HG MET1021 HG2 MET1021 -0.066 14.265 -2.730 839 1HE MET1021 HE1 MET1021 -3.013 17.312 -4.549 840 2HE MET1021 HE2 MET1021 -1.364 17.126 -5.149 841 3HE MET1021 HE3 MET1021 -2.520 15.805 -5.322 842 H LEU1022 H LEU1022 0.927 15.303 -7.108 843 HA LEU1022 HA LEU1022 -0.956 13.296 -7.556 844 1HB LEU1022 HB1 LEU1022 -0.776 15.401 -8.842 845 2HB LEU1022 HB2 LEU1022 0.669 14.785 -9.618 846 HG LEU1022 HG LEU1022 -0.700 12.941 -10.595 847 1HD1 LEU1022 1HD1 LEU1022 -2.501 12.920 -8.955 848 2HD1 LEU1022 2HD1 LEU1022 -3.006 14.528 -9.474 849 3HD1 LEU1022 3HD1 LEU1022 -3.133 13.163 -10.584 850 1HD2 LEU1022 1HD2 LEU1022 -1.789 14.352 -12.276 851 2HD2 LEU1022 2HD2 LEU1022 -1.587 15.754 -11.225 852 3HD2 LEU1022 3HD2 LEU1022 -0.171 14.934 -11.884 853 H THR1023 H THR1023 2.457 13.437 -8.483 854 HA THR1023 HA THR1023 2.502 10.888 -9.746 855 HB THR1023 HB THR1023 4.824 12.410 -8.544 856 HG1 THR1023 HG1 THR1023 4.999 13.200 -10.779 857 1HG2 THR1023 1HG2 THR1023 5.385 10.120 -9.136 858 2HG2 THR1023 2HG2 THR1023 4.680 10.337 -10.739 859 3HG2 THR1023 3HG2 THR1023 6.128 11.238 -10.284 860 H ALA1024 H ALA1024 3.517 12.042 -6.558 861 HA ALA1024 HA ALA1024 4.434 9.679 -5.445 862 1HB ALA1024 HB1 ALA1024 2.943 11.869 -4.001 863 2HB ALA1024 HB2 ALA1024 4.040 10.689 -3.281 864 3HB ALA1024 HB3 ALA1024 4.660 11.897 -4.407 865 H ALA1025 H ALA1025 1.109 10.939 -5.446 866 HA ALA1025 HA ALA1025 -0.029 8.825 -3.959 867 1HB ALA1025 HB1 ALA1025 -1.355 10.606 -6.004 868 2HB ALA1025 HB2 ALA1025 -2.178 9.620 -4.795 869 3HB ALA1025 HB3 ALA1025 -1.161 10.970 -4.290 870 H HIS1026 H HIS1026 0.580 9.282 -7.381 871 HA HIS1026 HA HIS1026 -0.801 6.984 -8.294 872 1HB HIS1026 HB1 HIS1026 -0.206 8.779 -9.831 873 2HB HIS1026 HB2 HIS1026 1.505 8.522 -9.515 874 HD1 HIS1026 HD1 HIS1026 2.478 7.583 -11.581 875 HD2 HIS1026 HD2 HIS1026 -1.223 5.887 -10.700 876 HE1 HIS1026 HE1 HIS1026 2.095 5.826 -13.338 877 HE2 HIS1026 HE2 HIS1026 -0.216 4.931 -12.888 878 H ALA1027 H ALA1027 2.545 7.594 -7.317 879 HA ALA1027 HA ALA1027 3.611 5.073 -7.944 880 1HB ALA1027 HB1 ALA1027 5.000 7.019 -7.444 881 2HB ALA1027 HB2 ALA1027 4.455 6.988 -5.766 882 3HB ALA1027 HB3 ALA1027 5.421 5.656 -6.406 883 H LEU1028 H LEU1028 2.182 6.306 -4.960 884 HA LEU1028 HA LEU1028 2.632 3.932 -3.456 885 1HB LEU1028 HB1 LEU1028 2.289 5.813 -2.132 886 2HB LEU1028 HB2 LEU1028 0.892 6.338 -3.047 887 HG LEU1028 HG LEU1028 0.606 3.750 -1.638 888 1HD1 LEU1028 1HD1 LEU1028 1.855 5.057 0.008 889 2HD1 LEU1028 2HD1 LEU1028 0.687 6.370 -0.150 890 3HD1 LEU1028 3HD1 LEU1028 0.181 4.814 0.511 891 1HD2 LEU1028 1HD2 LEU1028 -1.617 4.631 -1.191 892 2HD2 LEU1028 2HD2 LEU1028 -1.143 6.203 -1.837 893 3HD2 LEU1028 3HD2 LEU1028 -1.224 4.800 -2.903 894 H ALA1029 H ALA1029 -0.168 5.180 -5.216 895 HA ALA1029 HA ALA1029 -1.900 3.081 -4.787 896 1HB ALA1029 HB1 ALA1029 -2.545 5.140 -5.949 897 2HB ALA1029 HB2 ALA1029 -1.584 4.657 -7.346 898 3HB ALA1029 HB3 ALA1029 -2.999 3.713 -6.880 899 H VAL1030 H VAL1030 0.912 3.232 -6.828 900 HA VAL1030 HA VAL1030 0.372 0.807 -8.257 901 HB VAL1030 HB VAL1030 2.957 2.339 -7.922 902 1HG1 VAL1030 1HG1 VAL1030 2.357 0.006 -9.739 903 2HG1 VAL1030 2HG1 VAL1030 3.844 0.955 -9.726 904 3HG1 VAL1030 3HG1 VAL1030 3.414 -0.031 -8.328 905 1HG2 VAL1030 1HG2 VAL1030 2.562 3.009 -10.239 906 2HG2 VAL1030 2HG2 VAL1030 1.047 2.103 -10.247 907 3HG2 VAL1030 3HG2 VAL1030 1.232 3.508 -9.195 908 H ASP1031 H ASP1031 2.522 1.610 -5.488 909 HA ASP1031 HA ASP1031 3.455 -1.004 -5.122 910 1HB ASP1031 HB1 ASP1031 4.261 -0.382 -2.976 911 2HB ASP1031 HB2 ASP1031 4.434 1.023 -4.008 912 H ALA1032 H ALA1032 0.607 0.577 -3.762 913 HA ALA1032 HA ALA1032 -0.318 -1.604 -2.226 914 1HB ALA1032 HB1 ALA1032 -1.887 0.577 -3.595 915 2HB ALA1032 HB2 ALA1032 -2.512 -0.508 -2.354 916 3HB ALA1032 HB3 ALA1032 -1.224 0.634 -1.961 917 H LYS1033 H LYS1033 -1.099 -0.586 -5.536 918 HA LYS1033 HA LYS1033 -2.871 -2.656 -6.148 919 1HB LYS1033 HB1 LYS1033 -2.677 -0.656 -7.534 920 2HB LYS1033 HB2 LYS1033 -1.061 -1.136 -8.031 921 1HG LYS1033 HG1 LYS1033 -1.996 -3.132 -9.107 922 2HG LYS1033 HG2 LYS1033 -3.614 -2.614 -8.628 923 1HD LYS1033 HD1 LYS1033 -3.385 -0.595 -9.968 924 2HD LYS1033 HD2 LYS1033 -1.739 -1.058 -10.410 925 1HE LYS1033 HE1 LYS1033 -2.597 -3.057 -11.520 926 2HE LYS1033 HE2 LYS1033 -4.240 -2.611 -11.067 927 1HZ LYS1033 HZ1 LYS1033 -2.450 -1.022 -12.828 928 2HZ LYS1033 HZ2 LYS1033 -3.735 -1.992 -13.348 929 3HZ LYS1033 HZ3 LYS1033 -4.042 -0.618 -12.403 930 H ASN1034 H ASN1034 0.644 -2.536 -6.427 931 HA ASN1034 HA ASN1034 0.805 -5.021 -7.828 932 1HB ASN1034 HB1 ASN1034 2.586 -3.247 -7.880 933 2HB ASN1034 HB2 ASN1034 3.000 -3.696 -6.228 934 1HD2 ASN1034 2HD2 ASN1034 4.138 -5.568 -5.859 935 2HD2 ASN1034 1HD2 ASN1034 4.809 -6.532 -7.125 936 H LEU1035 H LEU1035 1.602 -4.125 -4.455 937 HA LEU1035 HA LEU1035 2.009 -6.711 -3.514 938 1HB LEU1035 HB1 LEU1035 2.613 -4.857 -2.127 939 2HB LEU1035 HB2 LEU1035 0.941 -4.292 -2.054 940 HG LEU1035 HG LEU1035 0.411 -6.489 -0.869 941 1HD1 LEU1035 1HD1 LEU1035 2.280 -7.588 0.246 942 2HD1 LEU1035 2HD1 LEU1035 2.423 -7.691 -1.509 943 3HD1 LEU1035 3HD1 LEU1035 3.408 -6.537 -0.611 944 1HD2 LEU1035 1HD2 LEU1035 1.227 -5.655 1.296 945 2HD2 LEU1035 2HD2 LEU1035 2.235 -4.487 0.441 946 3HD2 LEU1035 3HD2 LEU1035 0.479 -4.391 0.318 947 H LEU1036 H LEU1036 -1.124 -5.081 -4.016 948 HA LEU1036 HA LEU1036 -2.665 -6.946 -2.584 949 1HB LEU1036 HB1 LEU1036 -4.590 -6.036 -3.548 950 2HB LEU1036 HB2 LEU1036 -3.463 -4.699 -3.498 951 HG LEU1036 HG LEU1036 -3.007 -5.315 -5.995 952 1HD1 LEU1036 1HD1 LEU1036 -5.764 -6.487 -5.631 953 2HD1 LEU1036 2HD1 LEU1036 -4.900 -6.277 -7.154 954 3HD1 LEU1036 3HD1 LEU1036 -4.301 -7.421 -5.953 955 1HD2 LEU1036 1HD2 LEU1036 -4.850 -3.841 -6.661 956 2HD2 LEU1036 2HD2 LEU1036 -5.581 -4.044 -5.070 957 3HD2 LEU1036 3HD2 LEU1036 -4.019 -3.243 -5.225 958 H ASP1037 H ASP1037 -1.537 -6.850 -5.819 959 HA ASP1037 HA ASP1037 -2.636 -9.296 -6.732 960 1HB ASP1037 HB1 ASP1037 -1.827 -7.752 -8.373 961 2HB ASP1037 HB2 ASP1037 -0.245 -7.669 -7.611 962 H VAL1038 H VAL1038 0.358 -8.376 -5.187 963 HA VAL1038 HA VAL1038 1.694 -10.818 -5.178 964 HB VAL1038 HB VAL1038 1.801 -8.527 -3.226 965 1HG1 VAL1038 1HG1 VAL1038 3.743 -10.812 -3.512 966 2HG1 VAL1038 2HG1 VAL1038 3.915 -9.418 -2.446 967 3HG1 VAL1038 3HG1 VAL1038 2.620 -10.584 -2.171 968 1HG2 VAL1038 1HG2 VAL1038 2.423 -7.923 -5.477 969 2HG2 VAL1038 2HG2 VAL1038 3.859 -7.963 -4.452 970 3HG2 VAL1038 3HG2 VAL1038 3.533 -9.290 -5.567 971 H ILE1039 H ILE1039 0.069 -9.401 -2.332 972 HA ILE1039 HA ILE1039 0.274 -11.836 -0.908 973 HB ILE1039 HB ILE1039 -1.340 -10.611 0.747 974 1HG1 ILE1039 1HG1 ILE1039 -1.050 -8.159 0.656 975 2HG1 ILE1039 2HG1 ILE1039 -0.284 -8.317 -0.920 976 1HG2 ILE1039 1HG2 ILE1039 1.485 -9.705 0.236 977 2HG2 ILE1039 2HG2 ILE1039 0.606 -9.560 1.757 978 3HG2 ILE1039 3HG2 ILE1039 1.008 -11.154 1.121 979 1HD1 ILE1039 1HD1 ILE1039 -2.362 -9.204 -1.832 980 2HD1 ILE1039 2HD1 ILE1039 -3.121 -9.033 -0.249 981 3HD1 ILE1039 3HD1 ILE1039 -2.580 -7.602 -1.128 982 H ASP1040 H ASP1040 -2.568 -10.345 -2.504 983 HA ASP1040 HA ASP1040 -4.485 -12.241 -1.992 984 1HB ASP1040 HB1 ASP1040 -4.821 -10.395 -3.594 985 2HB ASP1040 HB2 ASP1040 -3.723 -11.163 -4.728 986 H GLN1041 H GLN1041 -1.781 -12.436 -4.132 987 HA GLN1041 HA GLN1041 -2.220 -15.216 -4.793 988 1HB GLN1041 HB1 GLN1041 0.032 -13.339 -5.467 989 2HB GLN1041 HB2 GLN1041 0.050 -15.047 -5.888 990 1HG GLN1041 HG1 GLN1041 -2.095 -13.117 -6.745 991 2HG GLN1041 HG2 GLN1041 -0.698 -13.558 -7.726 992 1HE2 GLN1041 2HE2 GLN1041 -3.588 -13.965 -8.156 993 2HE2 GLN1041 1HE2 GLN1041 -3.769 -15.666 -8.425 994 H ALA1042 H ALA1042 -0.299 -13.416 -2.467 995 HA ALA1042 HA ALA1042 1.425 -15.337 -1.570 996 1HB ALA1042 HB1 ALA1042 1.223 -14.322 0.649 997 2HB ALA1042 HB2 ALA1042 1.357 -13.108 -0.623 998 3HB ALA1042 HB3 ALA1042 -0.212 -13.451 0.110 999 H ARG1043 H ARG1043 -1.899 -14.822 -0.401 1000 HA ARG1043 HA ARG1043 -2.034 -17.118 1.171 1001 1HB ARG1043 HB1 ARG1043 -4.252 -15.692 -0.299 1002 2HB ARG1043 HB2 ARG1043 -4.502 -16.919 0.936 1003 1HG ARG1043 HG1 ARG1043 -3.143 -14.265 1.318 1004 2HG ARG1043 HG2 ARG1043 -4.768 -14.699 1.849 1005 1HD ARG1043 HD1 ARG1043 -2.323 -16.185 2.740 1006 2HD ARG1043 HD2 ARG1043 -2.929 -14.767 3.586 1007 HE ARG1043 HE ARG1043 -5.090 -16.156 3.715 1008 1HH1 ARG1043 2HH1 ARG1043 -1.857 -17.503 3.858 1009 2HH1 ARG1043 1HH1 ARG1043 -2.325 -18.837 4.861 1010 1HH2 ARG1043 2HH2 ARG1043 -5.702 -17.866 5.044 1011 2HH2 ARG1043 1HH2 ARG1043 -4.521 -19.054 5.543 1012 H LEU1044 H LEU1044 -2.531 -16.719 -2.304 1013 HA LEU1044 HA LEU1044 -3.353 -19.456 -2.656 1014 1HB LEU1044 HB1 LEU1044 -4.082 -17.771 -4.238 1015 2HB LEU1044 HB2 LEU1044 -2.424 -17.410 -4.662 1016 HG LEU1044 HG LEU1044 -2.172 -19.669 -5.615 1017 1HD1 LEU1044 1HD1 LEU1044 -5.100 -19.950 -4.957 1018 2HD1 LEU1044 2HD1 LEU1044 -4.161 -21.069 -5.946 1019 3HD1 LEU1044 3HD1 LEU1044 -3.774 -20.861 -4.239 1020 1HD2 LEU1044 1HD2 LEU1044 -2.844 -17.822 -7.057 1021 2HD2 LEU1044 2HD2 LEU1044 -3.585 -19.338 -7.573 1022 3HD2 LEU1044 3HD2 LEU1044 -4.539 -18.145 -6.690 1023 H LYS1045 H LYS1045 -0.271 -17.749 -2.668 1024 HA LYS1045 HA LYS1045 1.418 -19.720 -3.672 1025 1HB LYS1045 HB1 LYS1045 1.834 -17.860 -1.318 1026 2HB LYS1045 HB2 LYS1045 3.101 -18.854 -2.014 1027 1HG LYS1045 HG1 LYS1045 1.598 -16.686 -3.445 1028 2HG LYS1045 HG2 LYS1045 3.214 -16.547 -2.746 1029 1HD LYS1045 HD1 LYS1045 4.039 -18.263 -4.258 1030 2HD LYS1045 HD2 LYS1045 2.422 -18.478 -4.931 1031 1HE LYS1045 HE1 LYS1045 3.986 -15.907 -5.023 1032 2HE LYS1045 HE2 LYS1045 3.929 -17.082 -6.335 1033 1HZ LYS1045 HZ1 LYS1045 1.440 -16.769 -6.259 1034 2HZ LYS1045 HZ2 LYS1045 1.725 -15.422 -5.276 1035 3HZ LYS1045 HZ3 LYS1045 2.336 -15.456 -6.854 1036 H MET1046 H MET1046 0.065 -19.263 -0.479 1037 HA MET1046 HA MET1046 1.297 -21.516 0.729 1038 1HB MET1046 HB1 MET1046 0.256 -19.602 1.967 1039 2HB MET1046 HB2 MET1046 -1.321 -20.232 1.511 1040 1HG MET1046 HG1 MET1046 -0.877 -22.283 2.724 1041 2HG MET1046 HG2 MET1046 0.736 -21.700 3.138 1042 1HE MET1046 HE1 MET1046 0.308 -22.144 5.714 1043 2HE MET1046 HE2 MET1046 -1.114 -21.569 6.583 1044 3HE MET1046 HE3 MET1046 -1.286 -22.783 5.314 1045 H ILE1047 H ILE1047 -1.780 -21.027 -0.916 1046 HA ILE1047 HA ILE1047 -2.761 -23.661 -0.595 1047 HB ILE1047 HB ILE1047 -3.351 -21.700 -2.819 1048 1HG1 ILE1047 1HG1 ILE1047 -3.884 -20.730 -0.661 1049 2HG1 ILE1047 2HG1 ILE1047 -5.377 -21.171 -1.484 1050 1HG2 ILE1047 1HG2 ILE1047 -5.419 -22.980 -3.128 1051 2HG2 ILE1047 2HG2 ILE1047 -3.990 -23.973 -3.414 1052 3HG2 ILE1047 3HG2 ILE1047 -4.884 -24.131 -1.903 1053 1HD1 ILE1047 1HD1 ILE1047 -4.041 -22.736 0.716 1054 2HD1 ILE1047 2HD1 ILE1047 -5.476 -21.724 0.876 1055 3HD1 ILE1047 3HD1 ILE1047 -5.535 -23.184 -0.110 1056 H SER1048 H SER1048 -0.676 -22.106 -2.936 1057 HA SER1048 HA SER1048 -0.531 -24.100 -4.882 1058 1HB SER1048 HB1 SER1048 0.329 -21.802 -5.192 1059 2HB SER1048 HB2 SER1048 1.613 -22.119 -4.024 1060 HG SER1048 HG SER1048 1.333 -23.845 -6.230 1061 H GLN1049 H GLN1049 1.659 -23.483 -2.133 1062 HA GLN1049 HA GLN1049 3.241 -25.793 -2.618 1063 1HB GLN1049 HB1 GLN1049 4.057 -23.807 -1.379 1064 2HB GLN1049 HB2 GLN1049 2.958 -24.204 -0.063 1065 1HG GLN1049 HG1 GLN1049 4.142 -26.441 0.056 1066 2HG GLN1049 HG2 GLN1049 5.360 -25.734 -1.002 1067 1HE2 GLN1049 2HE2 GLN1049 6.972 -25.870 0.502 1068 2HE2 GLN1049 1HE2 GLN1049 7.021 -24.881 1.927 1069 H SER1050 H SER1050 0.587 -25.078 -0.405 1070 HA SER1050 HA SER1050 0.722 -27.779 0.683 1071 1HB SER1050 HB1 SER1050 -0.988 -25.413 1.485 1072 2HB SER1050 HB2 SER1050 -0.879 -26.945 2.353 1073 HG SER1050 HG SER1050 1.468 -26.459 2.441 1074 H ARG1051 H ARG1051 -0.327 -27.007 -2.083 1075 HA ARG1051 HA ARG1051 -3.079 -27.462 -2.186 1076 1HB ARG1051 HB1 ARG1051 -1.571 -26.720 -4.098 1077 2HB ARG1051 HB2 ARG1051 -1.141 -28.415 -4.295 1078 1HG ARG1051 HG1 ARG1051 -3.485 -28.967 -4.696 1079 2HG ARG1051 HG2 ARG1051 -3.918 -27.269 -4.499 1080 1HD ARG1051 HD1 ARG1051 -2.352 -26.761 -6.400 1081 2HD ARG1051 HD2 ARG1051 -2.221 -28.501 -6.658 1082 HE ARG1051 HE ARG1051 -4.938 -27.594 -6.593 1083 1HH1 ARG1051 2HH1 ARG1051 -2.128 -27.961 -8.665 1084 2HH1 ARG1051 1HH1 ARG1051 -3.066 -27.960 -10.130 1085 1HH2 ARG1051 2HH2 ARG1051 -6.149 -27.581 -8.499 1086 2HH2 ARG1051 1HH2 ARG1051 -5.348 -27.709 -10.040 1087 HA PRO1052 HA PRO1052 -2.179 -32.185 -2.249 1088 1HB PRO1052 HB1 PRO1052 0.609 -32.482 -1.420 1089 2HB PRO1052 HB2 PRO1052 -0.225 -33.204 -2.797 1090 1HG PRO1052 HG1 PRO1052 1.667 -31.294 -3.087 1091 2HG PRO1052 HG2 PRO1052 0.293 -31.455 -4.198 1092 1HD PRO1052 HD1 PRO1052 0.681 -29.540 -1.924 1093 2HD PRO1052 HD2 PRO1052 0.013 -29.245 -3.545 1094 H HIS1053 H HIS1053 0.481 -31.330 -0.077 1095 HA HIS1053 HA HIS1053 -1.074 -30.823 2.205 1096 1HB HIS1053 HB1 HIS1053 -0.529 -32.869 3.529 1097 2HB HIS1053 HB2 HIS1053 -1.663 -33.161 2.219 1098 HD1 HIS1053 HD1 HIS1053 -0.798 -34.596 0.198 1099 HD2 HIS1053 HD2 HIS1053 1.854 -34.275 3.393 1100 HE1 HIS1053 HE1 HIS1053 0.940 -36.373 -0.177 1101 HE2 HIS1053 HE2 HIS1053 2.443 -36.266 1.841 Start of MODEL 21 1 1H ARG 920 H ARG 920 -8.260 -19.632 -3.526 2 HA ARG 920 HA ARG 920 -8.769 -19.946 -0.785 3 1HB ARG 920 HB1 ARG 920 -6.623 -19.180 -1.555 4 2HB ARG 920 HB2 ARG 920 -7.344 -17.734 -2.253 5 1HG ARG 920 HG1 ARG 920 -6.219 -17.291 -0.116 6 2HG ARG 920 HG2 ARG 920 -7.955 -16.921 -0.067 7 1HD ARG 920 HD1 ARG 920 -8.292 -19.228 0.899 8 2HD ARG 920 HD2 ARG 920 -6.545 -19.372 1.008 9 HE ARG 920 HE ARG 920 -7.531 -17.065 2.382 10 1HH1 ARG 920 2HH1 ARG 920 -7.140 -20.525 2.579 11 2HH1 ARG 920 1HH1 ARG 920 -7.065 -20.569 4.315 12 1HH2 ARG 920 2HH2 ARG 920 -7.492 -17.092 4.693 13 2HH2 ARG 920 1HH2 ARG 920 -7.253 -18.613 5.520 14 H SER 921 H SER 921 -9.961 -17.477 -3.038 15 HA SER 921 HA SER 921 -11.147 -15.569 -2.747 16 1HB SER 921 HB1 SER 921 -11.884 -16.746 -0.048 17 2HB SER 921 HB2 SER 921 -12.599 -15.293 -0.747 18 HG SER 921 HG SER 921 -13.686 -16.471 -2.156 19 H ASN 922 H ASN 922 -9.834 -13.945 -2.694 20 HA ASN 922 HA ASN 922 -7.425 -13.922 -1.488 21 1HB ASN 922 HB1 ASN 922 -8.175 -11.236 -2.143 22 2HB ASN 922 HB2 ASN 922 -7.042 -12.312 -2.964 23 1HD2 ASN 922 2HD2 ASN 922 -7.995 -13.968 -4.320 24 2HD2 ASN 922 1HD2 ASN 922 -9.427 -13.611 -5.212 25 H ASP 923 H ASP 923 -7.530 -14.265 0.577 26 HA ASP 923 HA ASP 923 -9.001 -13.227 2.583 27 1HB ASP 923 HB1 ASP 923 -7.092 -15.073 2.427 28 2HB ASP 923 HB2 ASP 923 -6.128 -13.780 3.140 29 H LYS 924 H LYS 924 -7.651 -12.184 4.533 30 HA LYS 924 HA LYS 924 -7.861 -9.482 4.374 31 1HB LYS 924 HB1 LYS 924 -7.377 -11.060 6.377 32 2HB LYS 924 HB2 LYS 924 -5.689 -10.717 6.045 33 1HG LYS 924 HG1 LYS 924 -7.619 -8.472 6.441 34 2HG LYS 924 HG2 LYS 924 -6.977 -9.346 7.831 35 1HD LYS 924 HD1 LYS 924 -4.686 -8.831 7.040 36 2HD LYS 924 HD2 LYS 924 -5.381 -7.881 5.726 37 1HE LYS 924 HE1 LYS 924 -4.751 -6.390 7.492 38 2HE LYS 924 HE2 LYS 924 -6.512 -6.465 7.420 39 1HZ LYS 924 HZ1 LYS 924 -5.677 -6.552 9.699 40 2HZ LYS 924 HZ2 LYS 924 -6.503 -7.976 9.295 41 3HZ LYS 924 HZ3 LYS 924 -4.808 -7.966 9.345 42 H VAL 925 H VAL 925 -5.240 -11.391 3.169 43 HA VAL 925 HA VAL 925 -3.268 -9.499 2.761 44 HB VAL 925 HB VAL 925 -2.779 -10.895 0.617 45 1HG1 VAL 925 1HG1 VAL 925 -2.775 -12.151 3.374 46 2HG1 VAL 925 2HG1 VAL 925 -1.811 -12.699 2.003 47 3HG1 VAL 925 3HG1 VAL 925 -1.524 -11.105 2.703 48 1HG2 VAL 925 1HG2 VAL 925 -4.849 -12.635 1.965 49 2HG2 VAL 925 2HG2 VAL 925 -5.000 -11.867 0.385 50 3HG2 VAL 925 3HG2 VAL 925 -3.793 -13.126 0.642 51 H TYR 926 H TYR 926 -6.031 -10.312 0.471 52 HA TYR 926 HA TYR 926 -4.992 -8.293 -1.353 53 1HB TYR 926 HB1 TYR 926 -6.172 -10.001 -2.458 54 2HB TYR 926 HB2 TYR 926 -7.475 -10.012 -1.274 55 HD1 TYR 926 HD1 TYR 926 -6.019 -8.074 -4.081 56 HD2 TYR 926 HD2 TYR 926 -9.391 -8.674 -1.556 57 HE1 TYR 926 HE1 TYR 926 -7.346 -6.572 -5.511 58 HE2 TYR 926 HE2 TYR 926 -10.731 -7.177 -2.978 59 HH TYR 926 HH TYR 926 -10.327 -5.292 -4.550 60 H GLU 927 H GLU 927 -7.342 -8.658 1.122 61 HA GLU 927 HA GLU 927 -8.997 -6.472 0.758 62 1HB GLU 927 HB1 GLU 927 -8.217 -8.182 3.082 63 2HB GLU 927 HB2 GLU 927 -9.291 -6.816 3.328 64 1HG GLU 927 HG1 GLU 927 -9.770 -9.047 1.364 65 2HG GLU 927 HG2 GLU 927 -10.469 -8.964 2.979 66 H ASN 928 H ASN 928 -6.190 -6.725 2.973 67 HA ASN 928 HA ASN 928 -6.624 -4.051 3.879 68 1HB ASN 928 HB1 ASN 928 -5.631 -5.913 5.257 69 2HB ASN 928 HB2 ASN 928 -4.145 -5.697 4.336 70 1HD2 ASN 928 2HD2 ASN 928 -6.354 -3.147 5.335 71 2HD2 ASN 928 1HD2 ASN 928 -5.237 -2.363 6.397 72 H VAL 929 H VAL 929 -4.289 -5.526 1.616 73 HA VAL 929 HA VAL 929 -2.806 -3.198 1.167 74 HB VAL 929 HB VAL 929 -3.430 -5.105 -1.087 75 1HG1 VAL 929 1HG1 VAL 929 -2.139 -3.077 -1.578 76 2HG1 VAL 929 2HG1 VAL 929 -0.973 -3.522 -0.334 77 3HG1 VAL 929 3HG1 VAL 929 -1.161 -4.534 -1.765 78 1HG2 VAL 929 1HG2 VAL 929 -2.885 -6.427 0.909 79 2HG2 VAL 929 2HG2 VAL 929 -1.627 -6.525 -0.324 80 3HG2 VAL 929 3HG2 VAL 929 -1.395 -5.505 1.097 81 H THR 930 H THR 930 -5.880 -4.248 -0.217 82 HA THR 930 HA THR 930 -6.214 -2.002 -1.920 83 HB THR 930 HB THR 930 -8.378 -3.631 -0.556 84 HG1 THR 930 HG1 THR 930 -7.249 -5.078 -1.766 85 1HG2 THR 930 1HG2 THR 930 -9.778 -2.915 -2.431 86 2HG2 THR 930 2HG2 THR 930 -9.178 -1.523 -1.530 87 3HG2 THR 930 3HG2 THR 930 -8.443 -1.958 -3.074 88 H GLY 931 H GLY 931 -6.990 -2.702 1.435 89 1HA GLY 931 HA1 GLY 931 -8.235 -0.327 2.185 90 2HA GLY 931 HA2 GLY 931 -7.261 -1.326 3.253 91 H LEU 932 H LEU 932 -4.788 -0.975 1.697 92 HA LEU 932 HA LEU 932 -3.787 1.423 2.764 93 1HB LEU 932 HB1 LEU 932 -2.241 -0.290 2.244 94 2HB LEU 932 HB2 LEU 932 -2.837 -0.445 0.601 95 HG LEU 932 HG LEU 932 -1.791 1.676 -0.003 96 1HD1 LEU 932 1HD1 LEU 932 -0.333 2.848 1.556 97 2HD1 LEU 932 2HD1 LEU 932 -2.002 2.834 2.128 98 3HD1 LEU 932 3HD1 LEU 932 -0.814 1.743 2.844 99 1HD2 LEU 932 1HD2 LEU 932 -0.489 -0.361 -0.218 100 2HD2 LEU 932 2HD2 LEU 932 0.550 0.987 0.243 101 3HD2 LEU 932 3HD2 LEU 932 0.063 -0.203 1.449 102 H VAL 933 H VAL 933 -5.061 0.606 -0.429 103 HA VAL 933 HA VAL 933 -4.806 3.186 -1.565 104 HB VAL 933 HB VAL 933 -6.889 1.085 -2.197 105 1HG1 VAL 933 1HG1 VAL 933 -5.852 3.397 -3.836 106 2HG1 VAL 933 2HG1 VAL 933 -6.972 2.156 -4.405 107 3HG1 VAL 933 3HG1 VAL 933 -7.460 3.261 -3.120 108 1HG2 VAL 933 1HG2 VAL 933 -4.152 1.513 -3.389 109 2HG2 VAL 933 2HG2 VAL 933 -4.644 0.166 -2.365 110 3HG2 VAL 933 3HG2 VAL 933 -5.355 0.360 -3.967 111 H LYS 934 H LYS 934 -7.406 1.662 0.311 112 HA LYS 934 HA LYS 934 -9.291 3.729 0.121 113 1HB LYS 934 HB1 LYS 934 -8.836 1.512 2.069 114 2HB LYS 934 HB2 LYS 934 -9.968 2.785 2.498 115 1HG LYS 934 HG1 LYS 934 -11.212 0.997 1.558 116 2HG LYS 934 HG2 LYS 934 -11.195 2.304 0.376 117 1HD LYS 934 HD1 LYS 934 -9.061 0.262 0.160 118 2HD LYS 934 HD2 LYS 934 -10.698 -0.245 -0.255 119 1HE LYS 934 HE1 LYS 934 -9.424 2.227 -1.403 120 2HE LYS 934 HE2 LYS 934 -9.256 0.635 -2.150 121 1HZ LYS 934 HZ1 LYS 934 -11.072 1.757 -3.181 122 2HZ LYS 934 HZ2 LYS 934 -11.718 0.525 -2.216 123 3HZ LYS 934 HZ3 LYS 934 -11.784 2.132 -1.684 124 H ALA 935 H ALA 935 -6.528 3.312 2.239 125 HA ALA 935 HA ALA 935 -7.252 5.542 3.904 126 1HB ALA 935 HB1 ALA 935 -6.020 3.683 4.845 127 2HB ALA 935 HB2 ALA 935 -4.674 4.000 3.751 128 3HB ALA 935 HB3 ALA 935 -5.101 5.179 4.990 129 H VAL 936 H VAL 936 -5.246 5.070 1.039 130 HA VAL 936 HA VAL 936 -4.249 7.756 1.218 131 HB VAL 936 HB VAL 936 -3.033 5.959 -0.038 132 1HG1 VAL 936 1HG1 VAL 936 -3.668 5.475 -2.335 133 2HG1 VAL 936 2HG1 VAL 936 -4.935 4.974 -1.217 134 3HG1 VAL 936 3HG1 VAL 936 -5.122 6.455 -2.156 135 1HG2 VAL 936 1HG2 VAL 936 -3.666 8.486 -1.550 136 2HG2 VAL 936 2HG2 VAL 936 -2.439 8.283 -0.300 137 3HG2 VAL 936 3HG2 VAL 936 -2.277 7.439 -1.839 138 H ILE 937 H ILE 937 -7.141 6.233 0.178 139 HA ILE 937 HA ILE 937 -8.231 8.424 -1.250 140 HB ILE 937 HB ILE 937 -9.646 6.346 0.440 141 1HG1 ILE 937 1HG1 ILE 937 -9.200 6.570 -2.548 142 2HG1 ILE 937 2HG1 ILE 937 -8.487 5.373 -1.468 143 1HG2 ILE 937 1HG2 ILE 937 -11.690 7.029 -0.730 144 2HG2 ILE 937 2HG2 ILE 937 -11.016 8.345 0.231 145 3HG2 ILE 937 3HG2 ILE 937 -10.798 8.331 -1.519 146 1HD1 ILE 937 1HD1 ILE 937 -10.678 4.423 -1.051 147 2HD1 ILE 937 2HD1 ILE 937 -11.419 5.640 -2.089 148 3HD1 ILE 937 3HD1 ILE 937 -10.317 4.446 -2.777 149 H GLU 938 H GLU 938 -8.089 7.557 2.177 150 HA GLU 938 HA GLU 938 -9.372 9.689 3.355 151 1HB GLU 938 HB1 GLU 938 -6.869 8.246 4.210 152 2HB GLU 938 HB2 GLU 938 -7.595 9.512 5.189 153 1HG GLU 938 HG1 GLU 938 -8.893 6.921 4.365 154 2HG GLU 938 HG2 GLU 938 -8.299 7.342 5.973 155 H MET 939 H MET 939 -6.142 9.615 1.945 156 HA MET 939 HA MET 939 -5.343 12.164 2.853 157 1HB MET 939 HB1 MET 939 -3.441 11.831 1.678 158 2HB MET 939 HB2 MET 939 -4.060 10.202 1.473 159 1HG MET 939 HG1 MET 939 -4.876 10.707 -0.708 160 2HG MET 939 HG2 MET 939 -4.535 12.423 -0.499 161 1HE MET 939 HE1 MET 939 -3.374 12.222 -2.937 162 2HE MET 939 HE2 MET 939 -2.029 11.133 -3.279 163 3HE MET 939 HE3 MET 939 -3.636 10.479 -2.963 164 H SER 940 H SER 940 -7.113 11.120 -0.015 165 HA SER 940 HA SER 940 -7.292 13.743 -1.144 166 1HB SER 940 HB1 SER 940 -7.480 11.605 -2.455 167 2HB SER 940 HB2 SER 940 -9.057 11.351 -1.710 168 HG SER 940 HG SER 940 -9.826 12.571 -3.224 169 H SER 941 H SER 941 -9.147 11.880 1.140 170 HA SER 941 HA SER 941 -11.570 13.375 0.875 171 1HB SER 941 HB1 SER 941 -11.540 11.068 1.737 172 2HB SER 941 HB2 SER 941 -10.581 11.591 3.119 173 HG SER 941 HG SER 941 -12.523 11.723 3.966 174 H LYS 942 H LYS 942 -8.949 13.312 3.254 175 HA LYS 942 HA LYS 942 -10.138 15.453 4.757 176 1HB LYS 942 HB1 LYS 942 -8.525 15.007 6.393 177 2HB LYS 942 HB2 LYS 942 -8.866 13.439 5.684 178 1HG LYS 942 HG1 LYS 942 -6.637 13.266 5.662 179 2HG LYS 942 HG2 LYS 942 -6.779 14.205 4.169 180 1HD LYS 942 HD1 LYS 942 -5.224 15.451 5.307 181 2HD LYS 942 HD2 LYS 942 -6.721 16.242 5.811 182 1HE LYS 942 HE1 LYS 942 -5.143 14.185 7.357 183 2HE LYS 942 HE2 LYS 942 -5.286 15.898 7.729 184 1HZ LYS 942 HZ1 LYS 942 -7.630 15.586 8.184 185 2HZ LYS 942 HZ2 LYS 942 -7.524 13.947 7.771 186 3HZ LYS 942 HZ3 LYS 942 -6.705 14.526 9.132 187 H ILE 943 H ILE 943 -8.073 15.294 2.068 188 HA ILE 943 HA ILE 943 -6.776 17.833 2.528 189 HB ILE 943 HB ILE 943 -5.979 15.877 0.982 190 1HG1 ILE 943 1HG1 ILE 943 -4.941 18.200 1.264 191 2HG1 ILE 943 2HG1 ILE 943 -4.551 17.320 -0.205 192 1HG2 ILE 943 1HG2 ILE 943 -6.568 16.174 -1.388 193 2HG2 ILE 943 2HG2 ILE 943 -7.941 15.681 -0.395 194 3HG2 ILE 943 3HG2 ILE 943 -7.783 17.359 -0.915 195 1HD1 ILE 943 1HD1 ILE 943 -6.579 19.532 0.029 196 2HD1 ILE 943 2HD1 ILE 943 -4.955 19.676 -0.644 197 3HD1 ILE 943 3HD1 ILE 943 -6.155 18.663 -1.447 198 H GLN 944 H GLN 944 -9.739 16.663 1.178 199 HA GLN 944 HA GLN 944 -10.443 18.855 -0.396 200 1HB GLN 944 HB1 GLN 944 -12.130 16.824 1.043 201 2HB GLN 944 HB2 GLN 944 -12.817 18.063 -0.001 202 1HG GLN 944 HG1 GLN 944 -11.542 17.219 -1.882 203 2HG GLN 944 HG2 GLN 944 -10.778 16.018 -0.843 204 1HE2 GLN 944 2HE2 GLN 944 -11.521 14.296 -2.028 205 2HE2 GLN 944 1HE2 GLN 944 -13.181 13.814 -2.041 206 HA PRO 945 HA PRO 945 -12.522 21.019 3.166 207 1HB PRO 945 HB1 PRO 945 -12.962 19.913 5.556 208 2HB PRO 945 HB2 PRO 945 -13.891 19.440 4.129 209 1HG PRO 945 HG1 PRO 945 -11.779 17.963 5.571 210 2HG PRO 945 HG2 PRO 945 -13.095 17.347 4.560 211 1HD PRO 945 HD1 PRO 945 -10.345 17.800 3.831 212 2HD PRO 945 HD2 PRO 945 -11.653 17.140 2.830 213 H ALA 946 H ALA 946 -9.382 20.364 3.345 214 HA ALA 946 HA ALA 946 -8.990 21.986 5.779 215 1HB ALA 946 HB1 ALA 946 -7.064 20.631 6.381 216 2HB ALA 946 HB2 ALA 946 -8.515 19.636 6.266 217 3HB ALA 946 HB3 ALA 946 -7.322 19.610 4.968 218 HA PRO 947 HA PRO 947 -5.723 24.014 3.320 219 1HB PRO 947 HB1 PRO 947 -4.314 24.978 5.569 220 2HB PRO 947 HB2 PRO 947 -5.605 25.809 4.704 221 1HG PRO 947 HG1 PRO 947 -5.715 24.858 7.340 222 2HG PRO 947 HG2 PRO 947 -7.088 25.402 6.363 223 1HD PRO 947 HD1 PRO 947 -6.133 22.635 6.927 224 2HD PRO 947 HD2 PRO 947 -7.787 23.237 6.689 225 HA PRO 948 HA PRO 948 -2.175 21.707 2.515 226 1HB PRO 948 HB1 PRO 948 0.001 23.279 3.397 227 2HB PRO 948 HB2 PRO 948 -0.728 23.270 1.791 228 1HG PRO 948 HG1 PRO 948 -1.191 25.119 4.075 229 2HG PRO 948 HG2 PRO 948 -1.202 25.453 2.334 230 1HD PRO 948 HD1 PRO 948 -3.476 25.321 3.698 231 2HD PRO 948 HD2 PRO 948 -3.362 24.623 2.067 232 H GLU 949 H GLU 949 -1.973 22.998 5.769 233 HA GLU 949 HA GLU 949 -0.275 21.240 7.018 234 1HB GLU 949 HB1 GLU 949 -2.758 22.650 7.906 235 2HB GLU 949 HB2 GLU 949 -1.991 21.488 8.979 236 1HG GLU 949 HG1 GLU 949 -0.582 23.847 7.758 237 2HG GLU 949 HG2 GLU 949 -1.307 23.840 9.367 238 H GLU 950 H GLU 950 -2.682 20.241 5.100 239 HA GLU 950 HA GLU 950 -3.301 17.886 6.736 240 1HB GLU 950 HB1 GLU 950 -5.327 17.595 5.736 241 2HB GLU 950 HB2 GLU 950 -5.231 19.352 5.727 242 1HG GLU 950 HG1 GLU 950 -4.476 17.622 3.382 243 2HG GLU 950 HG2 GLU 950 -6.091 18.270 3.631 244 H TYR 951 H TYR 951 -1.929 19.076 3.756 245 HA TYR 951 HA TYR 951 -1.563 16.821 2.247 246 1HB TYR 951 HB1 TYR 951 0.590 18.832 2.957 247 2HB TYR 951 HB2 TYR 951 0.714 17.648 1.670 248 HD1 TYR 951 HD1 TYR 951 0.977 20.690 1.577 249 HD2 TYR 951 HD2 TYR 951 -2.253 18.058 0.739 250 HE1 TYR 951 HE1 TYR 951 0.067 22.338 0.024 251 HE2 TYR 951 HE2 TYR 951 -3.187 19.707 -0.832 252 HH TYR 951 HH TYR 951 -3.079 22.159 -1.209 253 H VAL 952 H VAL 952 0.135 17.833 5.161 254 HA VAL 952 HA VAL 952 1.692 15.427 5.120 255 HB VAL 952 HB VAL 952 2.959 16.968 6.141 256 1HG1 VAL 952 1HG1 VAL 952 1.356 18.751 6.343 257 2HG1 VAL 952 2HG1 VAL 952 0.585 17.958 7.719 258 3HG1 VAL 952 3HG1 VAL 952 2.231 18.573 7.862 259 1HG2 VAL 952 1HG2 VAL 952 2.959 15.011 7.564 260 2HG2 VAL 952 2HG2 VAL 952 3.169 16.466 8.536 261 3HG2 VAL 952 3HG2 VAL 952 1.605 15.651 8.496 262 HA PRO 953 HA PRO 953 -1.130 13.689 8.650 263 1HB PRO 953 HB1 PRO 953 -3.590 15.303 8.383 264 2HB PRO 953 HB2 PRO 953 -2.780 14.703 9.837 265 1HG PRO 953 HG1 PRO 953 -2.640 17.274 9.182 266 2HG PRO 953 HG2 PRO 953 -1.227 16.428 9.845 267 1HD PRO 953 HD1 PRO 953 -1.850 17.127 6.992 268 2HD PRO 953 HD2 PRO 953 -0.320 17.284 7.877 269 H MET 954 H MET 954 -2.365 14.777 5.545 270 HA MET 954 HA MET 954 -4.352 12.741 5.345 271 1HB MET 954 HB1 MET 954 -4.575 13.309 3.042 272 2HB MET 954 HB2 MET 954 -4.274 14.814 3.892 273 1HG MET 954 HG1 MET 954 -2.014 14.874 3.122 274 2HG MET 954 HG2 MET 954 -2.154 13.260 2.432 275 1HE MET 954 HE1 MET 954 -1.177 14.155 0.133 276 2HE MET 954 HE2 MET 954 -1.838 15.535 -0.743 277 3HE MET 954 HE3 MET 954 -1.039 15.780 0.810 278 H VAL 955 H VAL 955 -1.014 13.066 4.190 279 HA VAL 955 HA VAL 955 -0.770 10.388 3.361 280 HB VAL 955 HB VAL 955 1.368 12.331 4.240 281 1HG1 VAL 955 1HG1 VAL 955 2.160 10.032 4.501 282 2HG1 VAL 955 2HG1 VAL 955 1.680 9.675 2.842 283 3HG1 VAL 955 3HG1 VAL 955 2.967 10.840 3.157 284 1HG2 VAL 955 1HG2 VAL 955 0.402 11.454 1.520 285 2HG2 VAL 955 2HG2 VAL 955 0.121 13.023 2.273 286 3HG2 VAL 955 3HG2 VAL 955 1.758 12.541 1.823 287 H LYS 956 H LYS 956 -0.525 11.913 6.488 288 HA LYS 956 HA LYS 956 0.604 9.875 8.017 289 1HB LYS 956 HB1 LYS 956 -0.020 11.896 9.117 290 2HB LYS 956 HB2 LYS 956 -1.677 11.770 8.547 291 1HG LYS 956 HG1 LYS 956 -1.767 11.275 10.820 292 2HG LYS 956 HG2 LYS 956 -1.883 9.719 10.003 293 1HD LYS 956 HD1 LYS 956 0.419 9.236 10.484 294 2HD LYS 956 HD2 LYS 956 0.663 10.856 11.145 295 1HE LYS 956 HE1 LYS 956 -1.172 8.735 12.257 296 2HE LYS 956 HE2 LYS 956 0.379 9.225 12.935 297 1HZ LYS 956 HZ1 LYS 956 -1.896 11.099 12.583 298 2HZ LYS 956 HZ2 LYS 956 -1.627 10.231 14.013 299 3HZ LYS 956 HZ3 LYS 956 -0.476 11.350 13.471 300 H GLU 957 H GLU 957 -2.694 10.311 6.927 301 HA GLU 957 HA GLU 957 -3.856 8.025 7.905 302 1HB GLU 957 HB1 GLU 957 -4.471 9.422 5.296 303 2HB GLU 957 HB2 GLU 957 -5.525 8.260 6.093 304 1HG GLU 957 HG1 GLU 957 -4.628 10.882 7.269 305 2HG GLU 957 HG2 GLU 957 -6.187 10.585 6.504 306 H VAL 958 H VAL 958 -2.173 8.384 4.760 307 HA VAL 958 HA VAL 958 -2.594 5.598 4.163 308 HB VAL 958 HB VAL 958 -2.519 7.396 2.412 309 1HG1 VAL 958 1HG1 VAL 958 -0.504 8.544 3.302 310 2HG1 VAL 958 2HG1 VAL 958 0.464 7.188 2.733 311 3HG1 VAL 958 3HG1 VAL 958 -0.422 8.182 1.579 312 1HG2 VAL 958 1HG2 VAL 958 -2.422 5.068 1.806 313 2HG2 VAL 958 2HG2 VAL 958 -1.331 5.992 0.773 314 3HG2 VAL 958 3HG2 VAL 958 -0.684 5.030 2.101 315 H GLY 959 H GLY 959 -0.087 7.415 5.747 316 1HA GLY 959 HA1 GLY 959 2.035 5.582 5.239 317 2HA GLY 959 HA2 GLY 959 1.990 6.775 6.531 318 H LEU 960 H LEU 960 -0.054 6.022 8.088 319 HA LEU 960 HA LEU 960 0.672 3.614 9.338 320 1HB LEU 960 HB1 LEU 960 -1.935 5.132 9.440 321 2HB LEU 960 HB2 LEU 960 -1.525 3.804 10.509 322 HG LEU 960 HG LEU 960 -0.089 6.456 10.350 323 1HD1 LEU 960 1HD1 LEU 960 -1.892 5.285 12.462 324 2HD1 LEU 960 2HD1 LEU 960 -0.990 6.794 12.601 325 3HD1 LEU 960 3HD1 LEU 960 -2.269 6.639 11.394 326 1HD2 LEU 960 1HD2 LEU 960 1.162 5.662 12.300 327 2HD2 LEU 960 2HD2 LEU 960 0.366 4.093 12.168 328 3HD2 LEU 960 3HD2 LEU 960 1.447 4.642 10.889 329 H ALA 961 H ALA 961 -1.407 4.276 6.671 330 HA ALA 961 HA ALA 961 -2.849 1.875 6.586 331 1HB ALA 961 HB1 ALA 961 -1.907 3.528 4.259 332 2HB ALA 961 HB2 ALA 961 -3.182 2.308 4.222 333 3HB ALA 961 HB3 ALA 961 -3.393 3.776 5.177 334 H LEU 962 H LEU 962 0.225 2.642 4.805 335 HA LEU 962 HA LEU 962 0.507 -0.024 3.936 336 1HB LEU 962 HB1 LEU 962 1.609 1.794 2.752 337 2HB LEU 962 HB2 LEU 962 2.577 2.163 4.176 338 HG LEU 962 HG LEU 962 2.841 -0.595 3.150 339 1HD1 LEU 962 1HD1 LEU 962 2.667 0.638 1.060 340 2HD1 LEU 962 2HD1 LEU 962 3.899 1.771 1.615 341 3HD1 LEU 962 3HD1 LEU 962 4.320 0.082 1.329 342 1HD2 LEU 962 1HD2 LEU 962 4.196 0.247 5.003 343 2HD2 LEU 962 2HD2 LEU 962 5.202 -0.157 3.612 344 3HD2 LEU 962 3HD2 LEU 962 4.824 1.529 3.968 345 H ARG 963 H ARG 963 1.553 1.601 6.904 346 HA ARG 963 HA ARG 963 3.071 -0.529 7.919 347 1HB ARG 963 HB1 ARG 963 1.429 1.586 9.302 348 2HB ARG 963 HB2 ARG 963 2.413 0.420 10.179 349 1HG ARG 963 HG1 ARG 963 4.408 1.232 9.028 350 2HG ARG 963 HG2 ARG 963 3.420 2.402 8.148 351 1HD ARG 963 HD1 ARG 963 4.571 3.403 10.082 352 2HD ARG 963 HD2 ARG 963 2.816 3.497 10.216 353 HE ARG 963 HE ARG 963 3.089 1.411 11.669 354 1HH1 ARG 963 2HH1 ARG 963 5.502 3.954 11.445 355 2HH1 ARG 963 1HH1 ARG 963 6.107 3.673 13.050 356 1HH2 ARG 963 2HH2 ARG 963 3.882 1.074 13.769 357 2HH2 ARG 963 1HH2 ARG 963 5.191 2.049 14.370 358 H THR 964 H THR 964 -0.397 0.187 8.429 359 HA THR 964 HA THR 964 -1.121 -2.200 9.661 360 HB THR 964 HB THR 964 -2.798 -0.813 7.559 361 HG1 THR 964 HG1 THR 964 -2.204 0.756 9.029 362 1HG2 THR 964 1HG2 THR 964 -3.525 -2.450 9.991 363 2HG2 THR 964 2HG2 THR 964 -4.673 -1.620 8.942 364 3HG2 THR 964 3HG2 THR 964 -3.702 -2.950 8.309 365 H LEU 965 H LEU 965 -0.727 -1.453 6.271 366 HA LEU 965 HA LEU 965 -1.370 -3.909 5.120 367 1HB LEU 965 HB1 LEU 965 -1.155 -1.936 3.805 368 2HB LEU 965 HB2 LEU 965 0.476 -1.653 4.360 369 HG LEU 965 HG LEU 965 0.096 -2.455 1.953 370 1HD1 LEU 965 1HD1 LEU 965 2.292 -2.275 2.934 371 2HD1 LEU 965 2HD1 LEU 965 2.081 -3.821 3.759 372 3HD1 LEU 965 3HD1 LEU 965 2.175 -3.766 1.998 373 1HD2 LEU 965 1HD2 LEU 965 -1.431 -4.272 2.515 374 2HD2 LEU 965 2HD2 LEU 965 -0.003 -4.854 1.660 375 3HD2 LEU 965 3HD2 LEU 965 -0.140 -5.079 3.404 376 H LEU 966 H LEU 966 1.427 -2.870 6.858 377 HA LEU 966 HA LEU 966 3.211 -4.931 5.999 378 1HB LEU 966 HB1 LEU 966 3.331 -2.700 7.783 379 2HB LEU 966 HB2 LEU 966 3.904 -4.123 8.631 380 HG LEU 966 HG LEU 966 5.744 -2.885 7.582 381 1HD1 LEU 966 1HD1 LEU 966 6.779 -4.759 6.397 382 2HD1 LEU 966 2HD1 LEU 966 5.973 -5.287 7.875 383 3HD1 LEU 966 3HD1 LEU 966 5.212 -5.565 6.307 384 1HD2 LEU 966 1HD2 LEU 966 4.551 -1.926 5.697 385 2HD2 LEU 966 2HD2 LEU 966 5.950 -2.841 5.135 386 3HD2 LEU 966 3HD2 LEU 966 4.332 -3.530 4.996 387 H ALA 967 H ALA 967 0.694 -4.703 8.389 388 HA ALA 967 HA ALA 967 1.260 -7.148 9.736 389 1HB ALA 967 HB1 ALA 967 -1.043 -7.047 10.528 390 2HB ALA 967 HB2 ALA 967 -0.267 -5.469 10.667 391 3HB ALA 967 HB3 ALA 967 -1.404 -5.780 9.356 392 H THR 968 H THR 968 -0.606 -6.319 6.845 393 HA THR 968 HA THR 968 -1.508 -8.941 6.267 394 HB THR 968 HB THR 968 -1.105 -6.482 4.600 395 HG1 THR 968 HG1 THR 968 -3.486 -7.894 4.597 396 1HG2 THR 968 1HG2 THR 968 -0.450 -8.337 3.134 397 2HG2 THR 968 2HG2 THR 968 -1.956 -9.171 3.520 398 3HG2 THR 968 3HG2 THR 968 -1.994 -7.642 2.642 399 H VAL 969 H VAL 969 1.409 -7.176 5.302 400 HA VAL 969 HA VAL 969 2.721 -9.159 3.882 401 HB VAL 969 HB VAL 969 3.939 -7.200 5.846 402 1HG1 VAL 969 1HG1 VAL 969 5.240 -8.779 3.629 403 2HG1 VAL 969 2HG1 VAL 969 6.012 -7.483 4.542 404 3HG1 VAL 969 3HG1 VAL 969 5.523 -8.967 5.359 405 1HG2 VAL 969 1HG2 VAL 969 3.535 -6.999 2.868 406 2HG2 VAL 969 2HG2 VAL 969 2.643 -6.106 4.100 407 3HG2 VAL 969 3HG2 VAL 969 4.370 -5.819 3.878 408 H ASP 970 H ASP 970 2.207 -8.853 7.326 409 HA ASP 970 HA ASP 970 3.960 -11.026 8.025 410 1HB ASP 970 HB1 ASP 970 3.656 -9.216 9.610 411 2HB ASP 970 HB2 ASP 970 1.916 -9.483 9.632 412 H GLU 971 H GLU 971 0.525 -10.674 7.455 413 HA GLU 971 HA GLU 971 -0.233 -13.307 8.179 414 1HB GLU 971 HB1 GLU 971 -1.331 -11.684 5.869 415 2HB GLU 971 HB2 GLU 971 -2.143 -12.993 6.717 416 1HG GLU 971 HG1 GLU 971 -1.299 -10.445 8.053 417 2HG GLU 971 HG2 GLU 971 -2.884 -10.669 7.304 418 H SER 972 H SER 972 0.753 -11.914 5.115 419 HA SER 972 HA SER 972 0.976 -14.320 3.696 420 1HB SER 972 HB1 SER 972 0.752 -12.245 2.520 421 2HB SER 972 HB2 SER 972 2.246 -11.621 3.240 422 HG SER 972 HG SER 972 3.222 -13.570 2.184 423 H LEU 973 H LEU 973 3.063 -12.840 6.019 424 HA LEU 973 HA LEU 973 5.530 -13.871 5.242 425 1HB LEU 973 HB1 LEU 973 5.283 -12.207 7.012 426 2HB LEU 973 HB2 LEU 973 4.510 -13.390 8.048 427 HG LEU 973 HG LEU 973 6.618 -14.702 8.066 428 1HD1 LEU 973 1HD1 LEU 973 7.716 -12.322 6.575 429 2HD1 LEU 973 2HD1 LEU 973 8.672 -13.640 7.253 430 3HD1 LEU 973 3HD1 LEU 973 7.536 -13.958 5.941 431 1HD2 LEU 973 1HD2 LEU 973 6.114 -13.138 9.862 432 2HD2 LEU 973 2HD2 LEU 973 7.845 -13.171 9.531 433 3HD2 LEU 973 3HD2 LEU 973 6.861 -11.828 8.948 434 HA PRO 974 HA PRO 974 4.590 -18.031 7.658 435 1HB PRO 974 HB1 PRO 974 1.620 -17.911 7.563 436 2HB PRO 974 HB2 PRO 974 2.680 -18.622 8.787 437 1HG PRO 974 HG1 PRO 974 1.418 -16.318 9.233 438 2HG PRO 974 HG2 PRO 974 3.071 -16.589 9.816 439 1HD PRO 974 HD1 PRO 974 2.117 -14.991 7.485 440 2HD PRO 974 HD2 PRO 974 3.452 -14.668 8.607 441 H VAL 975 H VAL 975 2.528 -16.477 5.273 442 HA VAL 975 HA VAL 975 2.293 -18.911 3.694 443 HB VAL 975 HB VAL 975 1.780 -16.158 2.611 444 1HG1 VAL 975 1HG1 VAL 975 0.554 -18.866 2.088 445 2HG1 VAL 975 2HG1 VAL 975 0.085 -17.356 1.301 446 3HG1 VAL 975 3HG1 VAL 975 1.699 -18.019 1.046 447 1HG2 VAL 975 1HG2 VAL 975 -0.088 -17.806 4.317 448 2HG2 VAL 975 2HG2 VAL 975 0.650 -16.269 4.770 449 3HG2 VAL 975 3HG2 VAL 975 -0.516 -16.334 3.449 450 H LEU 976 H LEU 976 4.753 -16.717 4.223 451 HA LEU 976 HA LEU 976 5.984 -16.710 1.666 452 1HB LEU 976 HB1 LEU 976 6.566 -14.935 3.072 453 2HB LEU 976 HB2 LEU 976 6.922 -15.985 4.427 454 HG LEU 976 HG LEU 976 8.653 -16.084 1.981 455 1HD1 LEU 976 1HD1 LEU 976 8.818 -14.033 4.183 456 2HD1 LEU 976 2HD1 LEU 976 10.063 -14.327 2.968 457 3HD1 LEU 976 3HD1 LEU 976 8.478 -13.722 2.481 458 1HD2 LEU 976 1HD2 LEU 976 9.032 -17.735 3.736 459 2HD2 LEU 976 2HD2 LEU 976 10.384 -16.605 3.630 460 3HD2 LEU 976 3HD2 LEU 976 9.201 -16.444 4.928 461 HA PRO 977 HA PRO 977 8.615 -20.428 3.286 462 1HB PRO 977 HB1 PRO 977 7.575 -21.817 5.404 463 2HB PRO 977 HB2 PRO 977 8.847 -20.601 5.558 464 1HG PRO 977 HG1 PRO 977 5.910 -20.346 6.039 465 2HG PRO 977 HG2 PRO 977 7.266 -19.683 6.972 466 1HD PRO 977 HD1 PRO 977 5.839 -18.178 5.256 467 2HD PRO 977 HD2 PRO 977 7.576 -17.924 5.516 468 H ALA 978 H ALA 978 5.149 -20.184 3.468 469 HA ALA 978 HA ALA 978 4.565 -22.774 2.464 470 1HB ALA 978 HB1 ALA 978 2.883 -21.316 3.535 471 2HB ALA 978 HB2 ALA 978 2.952 -20.248 2.131 472 3HB ALA 978 HB3 ALA 978 2.369 -21.904 1.953 473 H SER 979 H SER 979 4.791 -19.595 0.810 474 HA SER 979 HA SER 979 5.963 -20.692 -1.532 475 1HB SER 979 HB1 SER 979 2.986 -20.416 -1.434 476 2HB SER 979 HB2 SER 979 3.823 -20.064 -2.954 477 HG SER 979 HG SER 979 4.249 -22.454 -1.479 478 H THR 980 H THR 980 4.153 -18.047 -0.085 479 HA THR 980 HA THR 980 4.258 -16.191 -2.147 480 HB THR 980 HB THR 980 4.283 -15.427 0.759 481 HG1 THR 980 HG1 THR 980 2.021 -15.762 0.632 482 1HG2 THR 980 1HG2 THR 980 2.887 -13.581 -0.042 483 2HG2 THR 980 2HG2 THR 980 4.436 -13.599 -0.883 484 3HG2 THR 980 3HG2 THR 980 2.990 -14.206 -1.689 485 H HIS 981 H HIS 981 6.918 -17.147 -0.197 486 HA HIS 981 HA HIS 981 8.285 -14.856 0.339 487 1HB HIS 981 HB1 HIS 981 10.375 -16.141 0.258 488 2HB HIS 981 HB2 HIS 981 9.095 -17.011 1.086 489 HD1 HIS 981 HD1 HIS 981 8.973 -19.398 0.479 490 HD2 HIS 981 HD2 HIS 981 10.598 -17.117 -2.596 491 HE1 HIS 981 HE1 HIS 981 9.583 -21.035 -1.331 492 HE2 HIS 981 HE2 HIS 981 10.699 -19.650 -3.121 493 H ARG 982 H ARG 982 7.703 -16.024 -2.833 494 HA ARG 982 HA ARG 982 9.949 -14.690 -4.062 495 1HB ARG 982 HB1 ARG 982 7.377 -15.642 -5.333 496 2HB ARG 982 HB2 ARG 982 8.848 -15.189 -6.183 497 1HG ARG 982 HG1 ARG 982 10.023 -17.066 -5.190 498 2HG ARG 982 HG2 ARG 982 8.576 -17.507 -4.280 499 1HD ARG 982 HD1 ARG 982 8.750 -18.910 -6.234 500 2HD ARG 982 HD2 ARG 982 7.371 -17.825 -6.411 501 HE ARG 982 HE ARG 982 9.934 -17.092 -7.646 502 1HH1 ARG 982 2HH1 ARG 982 6.590 -18.078 -7.997 503 2HH1 ARG 982 1HH1 ARG 982 6.537 -17.749 -9.701 504 1HH2 ARG 982 2HH2 ARG 982 9.855 -16.655 -9.900 505 2HH2 ARG 982 1HH2 ARG 982 8.376 -16.938 -10.767 506 H GLU 983 H GLU 983 6.405 -14.038 -4.066 507 HA GLU 983 HA GLU 983 6.859 -11.419 -5.133 508 1HB GLU 983 HB1 GLU 983 4.493 -13.009 -4.619 509 2HB GLU 983 HB2 GLU 983 4.290 -11.337 -4.180 510 1HG GLU 983 HG1 GLU 983 3.604 -11.570 -6.416 511 2HG GLU 983 HG2 GLU 983 5.121 -10.679 -6.383 512 H ILE 984 H ILE 984 6.116 -12.688 -1.938 513 HA ILE 984 HA ILE 984 5.182 -10.317 -0.831 514 HB ILE 984 HB ILE 984 5.020 -12.501 0.304 515 1HG1 ILE 984 1HG1 ILE 984 5.438 -11.665 2.591 516 2HG1 ILE 984 2HG1 ILE 984 6.390 -10.343 1.927 517 1HG2 ILE 984 1HG2 ILE 984 7.944 -12.097 0.925 518 2HG2 ILE 984 2HG2 ILE 984 6.911 -13.357 1.599 519 3HG2 ILE 984 3HG2 ILE 984 7.264 -13.337 -0.129 520 1HD1 ILE 984 1HD1 ILE 984 4.136 -9.644 2.549 521 2HD1 ILE 984 2HD1 ILE 984 4.426 -9.458 0.820 522 3HD1 ILE 984 3HD1 ILE 984 3.463 -10.811 1.411 523 H GLU 985 H GLU 985 8.462 -11.453 -1.352 524 HA GLU 985 HA GLU 985 9.597 -9.198 -0.011 525 1HB GLU 985 HB1 GLU 985 11.750 -9.951 -0.792 526 2HB GLU 985 HB2 GLU 985 10.842 -11.297 -0.126 527 1HG GLU 985 HG1 GLU 985 10.403 -12.178 -2.276 528 2HG GLU 985 HG2 GLU 985 11.009 -10.720 -3.068 529 H MET 986 H MET 986 8.743 -9.928 -3.404 530 HA MET 986 HA MET 986 10.384 -7.935 -4.529 531 1HB MET 986 HB1 MET 986 9.129 -8.092 -6.554 532 2HB MET 986 HB2 MET 986 9.283 -9.705 -5.882 533 1HG MET 986 HG1 MET 986 7.069 -9.908 -5.494 534 2HG MET 986 HG2 MET 986 6.851 -8.193 -5.174 535 1HE MET 986 HE1 MET 986 7.320 -9.861 -9.453 536 2HE MET 986 HE2 MET 986 8.667 -9.653 -8.334 537 3HE MET 986 HE3 MET 986 7.431 -10.870 -8.010 538 H ALA 987 H ALA 987 6.990 -7.769 -3.560 539 HA ALA 987 HA ALA 987 6.781 -5.011 -4.282 540 1HB ALA 987 HB1 ALA 987 4.910 -6.661 -4.396 541 2HB ALA 987 HB2 ALA 987 4.856 -6.614 -2.635 542 3HB ALA 987 HB3 ALA 987 4.530 -5.153 -3.565 543 H GLN 988 H GLN 988 7.200 -6.837 -1.298 544 HA GLN 988 HA GLN 988 6.640 -4.726 0.443 545 1HB GLN 988 HB1 GLN 988 6.772 -7.079 1.165 546 2HB GLN 988 HB2 GLN 988 8.511 -7.057 0.919 547 1HG GLN 988 HG1 GLN 988 7.682 -4.913 2.663 548 2HG GLN 988 HG2 GLN 988 7.129 -6.478 3.260 549 1HE2 GLN 988 2HE2 GLN 988 8.518 -6.495 4.991 550 2HE2 GLN 988 1HE2 GLN 988 10.230 -6.701 4.824 551 H LYS 989 H LYS 989 9.744 -5.735 -1.012 552 HA LYS 989 HA LYS 989 11.375 -3.784 0.192 553 1HB LYS 989 HB1 LYS 989 11.550 -4.878 -2.628 554 2HB LYS 989 HB2 LYS 989 12.816 -3.975 -1.817 555 1HG LYS 989 HG1 LYS 989 11.762 -6.667 -0.993 556 2HG LYS 989 HG2 LYS 989 13.274 -6.362 -1.843 557 1HD LYS 989 HD1 LYS 989 13.842 -4.856 0.174 558 2HD LYS 989 HD2 LYS 989 12.535 -5.719 0.987 559 1HE LYS 989 HE1 LYS 989 15.068 -6.865 -0.170 560 2HE LYS 989 HE2 LYS 989 14.564 -6.850 1.519 561 1HZ LYS 989 HZ1 LYS 989 14.253 -9.024 0.480 562 2HZ LYS 989 HZ2 LYS 989 12.772 -8.367 0.978 563 3HZ LYS 989 HZ3 LYS 989 13.205 -8.345 -0.663 564 H LEU 990 H LEU 990 9.274 -3.734 -2.601 565 HA LEU 990 HA LEU 990 9.934 -1.131 -3.493 566 1HB LEU 990 HB1 LEU 990 8.948 -2.107 -5.230 567 2HB LEU 990 HB2 LEU 990 8.226 -3.332 -4.216 568 HG LEU 990 HG LEU 990 6.376 -1.660 -3.743 569 1HD1 LEU 990 1HD1 LEU 990 6.060 0.099 -5.415 570 2HD1 LEU 990 2HD1 LEU 990 7.559 0.347 -4.519 571 3HD1 LEU 990 3HD1 LEU 990 7.608 -0.314 -6.152 572 1HD2 LEU 990 1HD2 LEU 990 5.236 -2.189 -5.842 573 2HD2 LEU 990 2HD2 LEU 990 6.774 -2.680 -6.551 574 3HD2 LEU 990 3HD2 LEU 990 6.100 -3.584 -5.196 575 H LEU 991 H LEU 991 7.509 -2.382 -1.251 576 HA LEU 991 HA LEU 991 5.916 -0.088 -0.940 577 1HB LEU 991 HB1 LEU 991 6.659 -2.074 1.211 578 2HB LEU 991 HB2 LEU 991 5.270 -1.003 1.211 579 HG LEU 991 HG LEU 991 5.630 -3.123 -0.885 580 1HD1 LEU 991 1HD1 LEU 991 5.697 -4.230 1.282 581 2HD1 LEU 991 2HD1 LEU 991 4.256 -3.351 1.795 582 3HD1 LEU 991 3HD1 LEU 991 4.151 -4.533 0.491 583 1HD2 LEU 991 1HD2 LEU 991 3.991 -1.339 -1.301 584 2HD2 LEU 991 2HD2 LEU 991 3.223 -2.910 -1.086 585 3HD2 LEU 991 3HD2 LEU 991 3.196 -1.727 0.223 586 H ASN 992 H ASN 992 8.768 -1.198 0.841 587 HA ASN 992 HA ASN 992 8.908 0.797 2.756 588 1HB ASN 992 HB1 ASN 992 10.297 -1.131 2.983 589 2HB ASN 992 HB2 ASN 992 11.058 -0.853 1.422 590 1HD2 ASN 992 2HD2 ASN 992 10.893 0.168 4.759 591 2HD2 ASN 992 1HD2 ASN 992 12.380 1.062 4.752 592 H SER 993 H SER 993 10.191 0.732 -0.527 593 HA SER 993 HA SER 993 11.592 3.200 -0.241 594 1HB SER 993 HB1 SER 993 10.857 1.604 -2.700 595 2HB SER 993 HB2 SER 993 11.956 2.985 -2.686 596 HG SER 993 HG SER 993 12.779 0.655 -2.449 597 H ASP 994 H ASP 994 8.390 2.306 -1.479 598 HA ASP 994 HA ASP 994 8.175 4.929 -2.715 599 1HB ASP 994 HB1 ASP 994 6.502 2.447 -2.893 600 2HB ASP 994 HB2 ASP 994 5.945 3.985 -3.548 601 H LEU 995 H LEU 995 6.442 3.120 -0.139 602 HA LEU 995 HA LEU 995 4.823 5.280 0.649 603 1HB LEU 995 HB1 LEU 995 4.362 3.119 1.582 604 2HB LEU 995 HB2 LEU 995 5.984 2.972 2.222 605 HG LEU 995 HG LEU 995 4.070 3.368 3.852 606 1HD1 LEU 995 1HD1 LEU 995 6.421 5.243 3.959 607 2HD1 LEU 995 2HD1 LEU 995 5.405 4.770 5.321 608 3HD1 LEU 995 3HD1 LEU 995 6.400 3.566 4.505 609 1HD2 LEU 995 1HD2 LEU 995 3.496 5.755 4.227 610 2HD2 LEU 995 2HD2 LEU 995 4.280 6.137 2.697 611 3HD2 LEU 995 3HD2 LEU 995 2.862 5.091 2.721 612 H ALA 996 H ALA 996 8.206 4.577 1.179 613 HA ALA 996 HA ALA 996 8.766 6.543 3.110 614 1HB ALA 996 HB1 ALA 996 11.072 6.485 2.336 615 2HB ALA 996 HB2 ALA 996 10.408 4.855 2.445 616 3HB ALA 996 HB3 ALA 996 10.570 5.640 0.874 617 H GLU 997 H GLU 997 8.990 6.787 -0.442 618 HA GLU 997 HA GLU 997 9.397 9.538 -0.527 619 1HB GLU 997 HB1 GLU 997 8.000 7.799 -2.559 620 2HB GLU 997 HB2 GLU 997 8.530 9.458 -2.841 621 1HG GLU 997 HG1 GLU 997 10.844 8.740 -2.301 622 2HG GLU 997 HG2 GLU 997 10.264 7.081 -2.217 623 H LEU 998 H LEU 998 6.433 7.705 -0.143 624 HA LEU 998 HA LEU 998 4.660 9.891 -0.460 625 1HB LEU 998 HB1 LEU 998 4.434 7.157 0.143 626 2HB LEU 998 HB2 LEU 998 3.694 8.006 1.488 627 HG LEU 998 HG LEU 998 2.107 7.375 -0.338 628 1HD1 LEU 998 1HD1 LEU 998 1.554 9.178 1.193 629 2HD1 LEU 998 2HD1 LEU 998 2.431 10.326 0.180 630 3HD1 LEU 998 3HD1 LEU 998 0.976 9.543 -0.432 631 1HD2 LEU 998 1HD2 LEU 998 3.588 7.710 -2.226 632 2HD2 LEU 998 2HD2 LEU 998 2.144 8.711 -2.388 633 3HD2 LEU 998 3HD2 LEU 998 3.669 9.437 -1.880 634 H ILE 999 H ILE 999 6.500 8.666 2.265 635 HA ILE 999 HA ILE 999 5.427 10.352 4.266 636 HB ILE 999 HB ILE 999 8.236 9.253 3.999 637 1HG1 ILE 999 1HG1 ILE 999 5.876 8.307 5.637 638 2HG1 ILE 999 2HG1 ILE 999 6.460 7.549 4.160 639 1HG2 ILE 999 1HG2 ILE 999 6.897 10.514 6.391 640 2HG2 ILE 999 2HG2 ILE 999 8.461 9.699 6.407 641 3HG2 ILE 999 3HG2 ILE 999 8.248 11.183 5.476 642 1HD1 ILE 999 1HD1 ILE 999 8.002 7.796 6.732 643 2HD1 ILE 999 2HD1 ILE 999 7.198 6.344 6.137 644 3HD1 ILE 999 3HD1 ILE 999 8.567 7.019 5.255 645 H ASN1000 H ASN1000 7.873 10.806 1.815 646 HA ASN1000 HA ASN1000 8.445 13.524 2.657 647 1HB ASN1000 HB1 ASN1000 9.393 11.832 0.340 648 2HB ASN1000 HB2 ASN1000 9.845 13.524 0.534 649 1HD2 ASN1000 2HD2 ASN1000 10.179 10.298 1.809 650 2HD2 ASN1000 1HD2 ASN1000 11.535 10.633 2.832 651 H LYS1001 H LYS1001 6.175 11.942 0.667 652 HA LYS1001 HA LYS1001 5.590 14.016 -1.138 653 1HB LYS1001 HB1 LYS1001 4.863 11.692 -1.441 654 2HB LYS1001 HB2 LYS1001 3.850 11.806 -0.015 655 1HG LYS1001 HG1 LYS1001 3.371 13.636 -2.322 656 2HG LYS1001 HG2 LYS1001 2.815 11.965 -2.387 657 1HD LYS1001 HD1 LYS1001 1.942 12.721 0.073 658 2HD LYS1001 HD2 LYS1001 1.808 14.235 -0.819 659 1HE LYS1001 HE1 LYS1001 0.585 11.588 -1.591 660 2HE LYS1001 HE2 LYS1001 -0.272 12.983 -0.940 661 1HZ LYS1001 HZ1 LYS1001 -0.545 12.909 -3.308 662 2HZ LYS1001 HZ2 LYS1001 0.427 14.235 -2.918 663 3HZ LYS1001 HZ3 LYS1001 1.131 12.835 -3.551 664 H MET1002 H MET1002 4.432 13.278 2.103 665 HA MET1002 HA MET1002 2.577 15.469 2.180 666 1HB MET1002 HB1 MET1002 2.267 14.851 4.517 667 2HB MET1002 HB2 MET1002 2.201 13.413 3.515 668 1HG MET1002 HG1 MET1002 4.481 12.848 4.149 669 2HG MET1002 HG2 MET1002 4.575 14.306 5.134 670 1HE MET1002 HE1 MET1002 4.454 11.508 7.851 671 2HE MET1002 HE2 MET1002 5.285 11.453 6.295 672 3HE MET1002 HE3 MET1002 5.310 12.931 7.259 673 H LYS1003 H LYS1003 5.801 14.679 3.068 674 HA LYS1003 HA LYS1003 6.249 16.939 4.712 675 1HB LYS1003 HB1 LYS1003 7.568 15.017 5.137 676 2HB LYS1003 HB2 LYS1003 8.055 14.886 3.451 677 1HG LYS1003 HG1 LYS1003 9.366 16.879 3.627 678 2HG LYS1003 HG2 LYS1003 8.810 17.136 5.283 679 1HD LYS1003 HD1 LYS1003 9.907 15.089 5.995 680 2HD LYS1003 HD2 LYS1003 10.398 14.747 4.335 681 1HE LYS1003 HE1 LYS1003 11.763 16.759 4.309 682 2HE LYS1003 HE2 LYS1003 11.245 17.147 5.948 683 1HZ LYS1003 HZ1 LYS1003 13.454 16.074 5.802 684 2HZ LYS1003 HZ2 LYS1003 12.359 15.233 6.783 685 3HZ LYS1003 HZ3 LYS1003 12.710 14.666 5.220 686 H LEU1004 H LEU1004 7.496 16.070 1.467 687 HA LEU1004 HA LEU1004 8.739 18.444 0.892 688 1HB LEU1004 HB1 LEU1004 7.730 16.198 -0.671 689 2HB LEU1004 HB2 LEU1004 7.765 17.706 -1.572 690 HG LEU1004 HG LEU1004 10.162 17.955 -1.066 691 1HD1 LEU1004 1HD1 LEU1004 11.400 16.108 -0.056 692 2HD1 LEU1004 2HD1 LEU1004 10.224 16.787 1.070 693 3HD1 LEU1004 3HD1 LEU1004 9.886 15.258 0.257 694 1HD2 LEU1004 1HD2 LEU1004 10.971 16.134 -2.482 695 2HD2 LEU1004 2HD2 LEU1004 9.442 15.283 -2.264 696 3HD2 LEU1004 3HD2 LEU1004 9.477 16.826 -3.117 697 H ALA1005 H ALA1005 5.325 17.665 0.239 698 HA ALA1005 HA ALA1005 4.676 20.073 -1.033 699 1HB ALA1005 HB1 ALA1005 3.180 18.132 -0.992 700 2HB ALA1005 HB2 ALA1005 2.914 18.374 0.734 701 3HB ALA1005 HB3 ALA1005 2.361 19.587 -0.421 702 H GLN1006 H GLN1006 4.522 19.167 2.387 703 HA GLN1006 HA GLN1006 3.818 21.811 3.246 704 1HB GLN1006 HB1 GLN1006 4.511 19.256 4.679 705 2HB GLN1006 HB2 GLN1006 4.166 20.765 5.532 706 1HG GLN1006 HG1 GLN1006 2.376 19.355 3.634 707 2HG GLN1006 HG2 GLN1006 2.231 19.402 5.399 708 1HE2 GLN1006 2HE2 GLN1006 1.773 21.397 6.424 709 2HE2 GLN1006 1HE2 GLN1006 1.049 22.700 5.555 710 H GLN1007 H GLN1007 6.649 20.315 2.402 711 HA GLN1007 HA GLN1007 8.477 21.798 4.020 712 1HB GLN1007 HB1 GLN1007 8.705 19.558 2.609 713 2HB GLN1007 HB2 GLN1007 9.228 20.678 1.367 714 1HG GLN1007 HG1 GLN1007 11.090 19.692 2.601 715 2HG GLN1007 HG2 GLN1007 11.034 21.451 2.782 716 1HE2 GLN1007 2HE2 GLN1007 8.847 19.288 4.430 717 2HE2 GLN1007 1HE2 GLN1007 9.482 19.535 6.024 718 H TYR1008 H TYR1008 7.282 22.012 0.707 719 HA TYR1008 HA TYR1008 8.499 24.560 0.197 720 1HB TYR1008 HB1 TYR1008 7.846 22.884 -1.567 721 2HB TYR1008 HB2 TYR1008 6.163 23.253 -1.220 722 HD1 TYR1008 HD1 TYR1008 8.611 25.962 -1.135 723 HD2 TYR1008 HD2 TYR1008 5.826 23.858 -3.563 724 HE1 TYR1008 HE1 TYR1008 8.690 27.775 -2.792 725 HE2 TYR1008 HE2 TYR1008 5.894 25.666 -5.222 726 HH TYR1008 HH TYR1008 6.462 27.964 -5.427 727 H VAL1009 H VAL1009 5.140 23.495 0.588 728 HA VAL1009 HA VAL1009 3.253 24.539 1.289 729 HB VAL1009 HB VAL1009 4.419 23.672 3.317 730 1HG1 VAL1009 1HG1 VAL1009 5.152 26.557 3.783 731 2HG1 VAL1009 2HG1 VAL1009 5.342 25.240 4.941 732 3HG1 VAL1009 3HG1 VAL1009 6.270 25.238 3.442 733 1HG2 VAL1009 1HG2 VAL1009 2.598 26.035 3.742 734 2HG2 VAL1009 2HG2 VAL1009 2.102 24.377 3.402 735 3HG2 VAL1009 3HG2 VAL1009 2.924 24.758 4.915 736 H MET1010 H MET1010 4.671 26.291 -0.468 737 HA MET1010 HA MET1010 4.283 28.931 0.664 738 1HB MET1010 HB1 MET1010 6.116 28.517 -0.952 739 2HB MET1010 HB2 MET1010 4.922 28.120 -2.181 740 1HG MET1010 HG1 MET1010 5.800 30.399 -2.405 741 2HG MET1010 HG2 MET1010 4.058 30.363 -2.138 742 1HE MET1010 HE1 MET1010 7.146 31.479 1.109 743 2HE MET1010 HE2 MET1010 6.942 29.837 0.498 744 3HE MET1010 HE3 MET1010 7.575 31.098 -0.560 745 H THR1011 H THR1011 2.378 29.928 0.670 746 HA THR1011 HA THR1011 0.022 28.683 -0.005 747 HB THR1011 HB THR1011 -0.909 31.122 0.013 748 HG1 THR1011 HG1 THR1011 0.630 32.517 1.143 749 1HG2 THR1011 1HG2 THR1011 -1.127 29.548 1.866 750 2HG2 THR1011 2HG2 THR1011 0.509 29.935 2.402 751 3HG2 THR1011 3HG2 THR1011 -0.754 31.165 2.463 752 H SER1012 H SER1012 -0.781 28.108 -1.853 753 HA SER1012 HA SER1012 -1.676 28.214 -3.931 754 1HB SER1012 HB1 SER1012 -0.564 31.022 -4.117 755 2HB SER1012 HB2 SER1012 -1.744 30.291 -5.207 756 HG SER1012 HG SER1012 -2.115 30.696 -2.408 757 H LEU1013 H LEU1013 1.630 29.433 -3.617 758 HA LEU1013 HA LEU1013 2.387 28.579 -6.261 759 1HB LEU1013 HB1 LEU1013 3.941 29.578 -3.887 760 2HB LEU1013 HB2 LEU1013 4.745 28.988 -5.327 761 HG LEU1013 HG LEU1013 3.526 30.743 -6.641 762 1HD1 LEU1013 1HD1 LEU1013 2.810 31.796 -3.908 763 2HD1 LEU1013 2HD1 LEU1013 2.545 32.619 -5.445 764 3HD1 LEU1013 3HD1 LEU1013 1.678 31.127 -5.084 765 1HD2 LEU1013 1HD2 LEU1013 4.969 32.572 -5.880 766 2HD2 LEU1013 2HD2 LEU1013 5.310 31.675 -4.399 767 3HD2 LEU1013 3HD2 LEU1013 5.832 31.036 -5.958 768 H GLN1014 H GLN1014 1.796 27.007 -3.431 769 HA GLN1014 HA GLN1014 3.706 25.023 -3.127 770 1HB GLN1014 HB1 GLN1014 1.526 25.681 -1.811 771 2HB GLN1014 HB2 GLN1014 0.767 24.476 -2.829 772 1HG GLN1014 HG1 GLN1014 2.899 24.084 -0.758 773 2HG GLN1014 HG2 GLN1014 1.262 23.437 -0.778 774 1HE2 GLN1014 2HE2 GLN1014 0.777 21.913 -2.563 775 2HE2 GLN1014 1HE2 GLN1014 2.030 20.826 -3.040 776 H GLN1015 H GLN1015 1.428 25.486 -5.636 777 HA GLN1015 HA GLN1015 0.623 22.881 -6.227 778 1HB GLN1015 HB1 GLN1015 -0.133 23.734 -8.332 779 2HB GLN1015 HB2 GLN1015 -0.450 24.923 -7.080 780 1HG GLN1015 HG1 GLN1015 1.657 26.089 -7.785 781 2HG GLN1015 HG2 GLN1015 1.721 24.991 -9.161 782 1HE2 GLN1015 2HE2 GLN1015 1.480 27.865 -9.136 783 2HE2 GLN1015 1HE2 GLN1015 -0.001 28.248 -9.956 784 H GLU1016 H GLU1016 3.426 24.671 -7.415 785 HA GLU1016 HA GLU1016 4.502 22.931 -9.203 786 1HB GLU1016 HB1 GLU1016 5.536 25.084 -8.434 787 2HB GLU1016 HB2 GLU1016 6.148 24.222 -7.027 788 1HG GLU1016 HG1 GLU1016 7.827 24.456 -8.807 789 2HG GLU1016 HG2 GLU1016 7.464 22.774 -8.423 790 H TYR1017 H TYR1017 4.935 22.668 -5.665 791 HA TYR1017 HA TYR1017 6.220 20.109 -5.926 792 1HB TYR1017 HB1 TYR1017 5.533 21.915 -3.676 793 2HB TYR1017 HB2 TYR1017 5.589 20.195 -3.300 794 HD1 TYR1017 HD1 TYR1017 7.732 21.743 -5.865 795 HD2 TYR1017 HD2 TYR1017 7.499 20.331 -1.859 796 HE1 TYR1017 HE1 TYR1017 10.182 21.819 -5.702 797 HE2 TYR1017 HE2 TYR1017 9.948 20.402 -1.689 798 HH TYR1017 HH TYR1017 11.938 21.773 -4.260 799 H LYS1018 H LYS1018 2.988 21.250 -5.680 800 HA LYS1018 HA LYS1018 1.782 18.918 -4.635 801 1HB LYS1018 HB1 LYS1018 0.576 21.040 -4.715 802 2HB LYS1018 HB2 LYS1018 0.621 21.023 -6.472 803 1HG LYS1018 HG1 LYS1018 -0.871 19.211 -6.598 804 2HG LYS1018 HG2 LYS1018 -0.699 18.846 -4.882 805 1HD LYS1018 HD1 LYS1018 -2.817 19.910 -5.230 806 2HD LYS1018 HD2 LYS1018 -1.763 21.034 -4.374 807 1HE LYS1018 HE1 LYS1018 -1.289 22.191 -6.474 808 2HE LYS1018 HE2 LYS1018 -2.332 21.057 -7.335 809 1HZ LYS1018 HZ1 LYS1018 -3.566 23.038 -6.899 810 2HZ LYS1018 HZ2 LYS1018 -4.176 21.819 -5.887 811 3HZ LYS1018 HZ3 LYS1018 -3.151 23.010 -5.255 812 H LYS1019 H LYS1019 2.568 19.937 -7.938 813 HA LYS1019 HA LYS1019 1.439 17.734 -9.286 814 1HB LYS1019 HB1 LYS1019 3.886 19.375 -9.980 815 2HB LYS1019 HB2 LYS1019 3.104 18.245 -11.072 816 1HG LYS1019 HG1 LYS1019 1.095 19.589 -11.085 817 2HG LYS1019 HG2 LYS1019 1.805 20.699 -9.908 818 1HD LYS1019 HD1 LYS1019 3.544 21.306 -11.490 819 2HD LYS1019 HD2 LYS1019 2.921 20.140 -12.657 820 1HE LYS1019 HE1 LYS1019 2.210 22.391 -13.227 821 2HE LYS1019 HE2 LYS1019 0.825 21.394 -12.786 822 1HZ LYS1019 HZ1 LYS1019 2.179 23.335 -10.987 823 2HZ LYS1019 HZ2 LYS1019 0.723 23.613 -11.815 824 3HZ LYS1019 HZ3 LYS1019 0.796 22.418 -10.616 825 H GLN1020 H GLN1020 4.816 18.310 -8.437 826 HA GLN1020 HA GLN1020 5.930 15.870 -8.849 827 1HB GLN1020 HB1 GLN1020 6.460 17.908 -6.705 828 2HB GLN1020 HB2 GLN1020 7.440 16.455 -6.859 829 1HG GLN1020 HG1 GLN1020 8.219 17.079 -8.989 830 2HG GLN1020 HG2 GLN1020 7.000 18.342 -9.149 831 1HE2 GLN1020 2HE2 GLN1020 7.333 20.310 -8.209 832 2HE2 GLN1020 1HE2 GLN1020 8.844 20.780 -7.506 833 H MET1021 H MET1021 4.282 16.823 -5.810 834 HA MET1021 HA MET1021 4.779 14.259 -4.657 835 1HB MET1021 HB1 MET1021 3.472 14.997 -2.758 836 2HB MET1021 HB2 MET1021 4.600 16.246 -3.249 837 1HG MET1021 HG1 MET1021 2.725 17.466 -2.800 838 2HG MET1021 HG2 MET1021 2.557 17.210 -4.533 839 1HE MET1021 HE1 MET1021 0.293 17.986 -2.180 840 2HE MET1021 HE2 MET1021 -0.030 18.073 -3.912 841 3HE MET1021 HE3 MET1021 -1.096 17.142 -2.858 842 H LEU1022 H LEU1022 2.329 15.476 -6.728 843 HA LEU1022 HA LEU1022 0.317 13.559 -6.123 844 1HB LEU1022 HB1 LEU1022 0.073 15.701 -7.486 845 2HB LEU1022 HB2 LEU1022 0.822 14.835 -8.810 846 HG LEU1022 HG LEU1022 -1.705 13.844 -7.498 847 1HD1 LEU1022 1HD1 LEU1022 -2.115 16.117 -8.259 848 2HD1 LEU1022 2HD1 LEU1022 -1.447 15.722 -9.842 849 3HD1 LEU1022 3HD1 LEU1022 -2.939 14.954 -9.298 850 1HD2 LEU1022 1HD2 LEU1022 -2.031 12.705 -9.627 851 2HD2 LEU1022 2HD2 LEU1022 -0.533 13.400 -10.246 852 3HD2 LEU1022 3HD2 LEU1022 -0.485 12.250 -8.909 853 H THR1023 H THR1023 2.914 13.685 -8.555 854 HA THR1023 HA THR1023 2.490 11.106 -9.618 855 HB THR1023 HB THR1023 5.099 12.644 -9.478 856 HG1 THR1023 HG1 THR1023 3.142 12.598 -11.558 857 1HG2 THR1023 1HG2 THR1023 5.374 10.288 -10.117 858 2HG2 THR1023 2HG2 THR1023 4.171 10.495 -11.389 859 3HG2 THR1023 3HG2 THR1023 5.701 11.366 -11.473 860 H ALA1024 H ALA1024 4.283 12.287 -6.853 861 HA ALA1024 HA ALA1024 5.751 9.957 -6.256 862 1HB ALA1024 HB1 ALA1024 6.238 12.137 -5.251 863 2HB ALA1024 HB2 ALA1024 4.724 12.057 -4.351 864 3HB ALA1024 HB3 ALA1024 6.006 10.893 -4.020 865 H ALA1025 H ALA1025 2.454 10.920 -5.536 866 HA ALA1025 HA ALA1025 1.907 8.846 -3.657 867 1HB ALA1025 HB1 ALA1025 -0.020 10.413 -5.378 868 2HB ALA1025 HB2 ALA1025 -0.437 9.446 -3.964 869 3HB ALA1025 HB3 ALA1025 0.555 10.892 -3.782 870 H HIS1026 H HIS1026 1.779 9.106 -7.135 871 HA HIS1026 HA HIS1026 0.347 6.728 -7.629 872 1HB HIS1026 HB1 HIS1026 0.577 8.281 -9.433 873 2HB HIS1026 HB2 HIS1026 2.331 8.289 -9.291 874 HD1 HIS1026 HD1 HIS1026 3.527 6.871 -10.917 875 HD2 HIS1026 HD2 HIS1026 -0.388 5.581 -10.329 876 HE1 HIS1026 HE1 HIS1026 3.164 5.006 -12.569 877 HE2 HIS1026 HE2 HIS1026 0.772 4.277 -12.240 878 H ALA1027 H ALA1027 3.734 7.400 -7.033 879 HA ALA1027 HA ALA1027 4.821 4.899 -7.625 880 1HB ALA1027 HB1 ALA1027 6.172 6.874 -7.092 881 2HB ALA1027 HB2 ALA1027 5.619 6.800 -5.420 882 3HB ALA1027 HB3 ALA1027 6.613 5.499 -6.079 883 H LEU1028 H LEU1028 3.402 6.125 -4.623 884 HA LEU1028 HA LEU1028 3.653 3.777 -3.088 885 1HB LEU1028 HB1 LEU1028 3.075 5.998 -2.156 886 2HB LEU1028 HB2 LEU1028 1.517 5.899 -2.950 887 HG LEU1028 HG LEU1028 1.769 3.528 -1.406 888 1HD1 LEU1028 1HD1 LEU1028 3.475 4.646 -0.095 889 2HD1 LEU1028 2HD1 LEU1028 2.397 6.018 0.167 890 3HD1 LEU1028 3HD1 LEU1028 1.993 4.438 0.838 891 1HD2 LEU1028 1HD2 LEU1028 -0.202 4.415 -0.296 892 2HD2 LEU1028 2HD2 LEU1028 0.115 6.015 -0.968 893 3HD2 LEU1028 3HD2 LEU1028 -0.298 4.674 -2.037 894 H ALA1029 H ALA1029 1.010 5.030 -5.049 895 HA ALA1029 HA ALA1029 -0.824 3.027 -4.563 896 1HB ALA1029 HB1 ALA1029 -1.890 3.643 -6.679 897 2HB ALA1029 HB2 ALA1029 -1.379 5.074 -5.785 898 3HB ALA1029 HB3 ALA1029 -0.436 4.515 -7.166 899 H VAL1030 H VAL1030 1.804 3.080 -6.969 900 HA VAL1030 HA VAL1030 1.331 0.543 -8.042 901 HB VAL1030 HB VAL1030 3.962 2.002 -7.744 902 1HG1 VAL1030 1HG1 VAL1030 3.207 -0.313 -9.527 903 2HG1 VAL1030 2HG1 VAL1030 4.714 0.597 -9.618 904 3HG1 VAL1030 3HG1 VAL1030 4.346 -0.354 -8.180 905 1HG2 VAL1030 1HG2 VAL1030 2.322 3.292 -8.985 906 2HG2 VAL1030 2HG2 VAL1030 3.572 2.686 -10.072 907 3HG2 VAL1030 3HG2 VAL1030 1.990 1.907 -10.025 908 H ASP1031 H ASP1031 3.003 1.470 -5.053 909 HA ASP1031 HA ASP1031 4.197 -1.129 -4.763 910 1HB ASP1031 HB1 ASP1031 5.021 -0.473 -2.631 911 2HB ASP1031 HB2 ASP1031 5.178 0.915 -3.682 912 H ALA1032 H ALA1032 1.333 0.476 -3.521 913 HA ALA1032 HA ALA1032 0.241 -1.650 -2.042 914 1HB ALA1032 HB1 ALA1032 -0.656 0.621 -1.982 915 2HB ALA1032 HB2 ALA1032 -1.174 0.471 -3.660 916 3HB ALA1032 HB3 ALA1032 -1.907 -0.543 -2.417 917 H LYS1033 H LYS1033 -0.210 -0.718 -5.462 918 HA LYS1033 HA LYS1033 -2.076 -2.711 -6.084 919 1HB LYS1033 HB1 LYS1033 -1.330 -0.555 -7.370 920 2HB LYS1033 HB2 LYS1033 -0.168 -1.630 -8.131 921 1HG LYS1033 HG1 LYS1033 -3.144 -2.083 -8.132 922 2HG LYS1033 HG2 LYS1033 -2.258 -1.276 -9.424 923 1HD LYS1033 HD1 LYS1033 -0.927 -3.315 -9.763 924 2HD LYS1033 HD2 LYS1033 -1.853 -4.117 -8.493 925 1HE LYS1033 HE1 LYS1033 -2.708 -4.743 -10.672 926 2HE LYS1033 HE2 LYS1033 -3.904 -3.782 -9.801 927 1HZ LYS1033 HZ1 LYS1033 -3.241 -1.847 -11.077 928 2HZ LYS1033 HZ2 LYS1033 -2.066 -2.754 -11.896 929 3HZ LYS1033 HZ3 LYS1033 -3.711 -3.105 -12.115 930 H ASN1034 H ASN1034 1.460 -2.644 -6.539 931 HA ASN1034 HA ASN1034 1.553 -5.115 -7.901 932 1HB ASN1034 HB1 ASN1034 3.356 -3.352 -7.906 933 2HB ASN1034 HB2 ASN1034 3.809 -3.904 -6.297 934 1HD2 ASN1034 2HD2 ASN1034 4.934 -5.793 -6.076 935 2HD2 ASN1034 1HD2 ASN1034 5.544 -6.708 -7.409 936 H LEU1035 H LEU1035 1.661 -4.291 -4.488 937 HA LEU1035 HA LEU1035 2.436 -6.993 -3.679 938 1HB LEU1035 HB1 LEU1035 3.149 -5.123 -2.265 939 2HB LEU1035 HB2 LEU1035 1.480 -4.603 -2.058 940 HG LEU1035 HG LEU1035 1.115 -6.944 -1.007 941 1HD1 LEU1035 1HD1 LEU1035 3.241 -7.912 -1.675 942 2HD1 LEU1035 2HD1 LEU1035 4.107 -6.687 -0.749 943 3HD1 LEU1035 3HD1 LEU1035 3.095 -7.869 0.082 944 1HD2 LEU1035 1HD2 LEU1035 2.733 -4.821 0.379 945 2HD2 LEU1035 2HD2 LEU1035 0.975 -4.879 0.235 946 3HD2 LEU1035 3HD2 LEU1035 1.824 -6.104 1.177 947 H LEU1036 H LEU1036 -0.562 -5.116 -4.023 948 HA LEU1036 HA LEU1036 -2.155 -6.933 -2.542 949 1HB LEU1036 HB1 LEU1036 -4.113 -5.840 -3.425 950 2HB LEU1036 HB2 LEU1036 -2.937 -4.641 -2.933 951 HG LEU1036 HG LEU1036 -2.320 -4.540 -5.452 952 1HD1 LEU1036 1HD1 LEU1036 -4.175 -5.029 -6.963 953 2HD1 LEU1036 2HD1 LEU1036 -3.591 -6.495 -6.176 954 3HD1 LEU1036 3HD1 LEU1036 -5.083 -5.734 -5.627 955 1HD2 LEU1036 1HD2 LEU1036 -4.051 -2.857 -5.810 956 2HD2 LEU1036 2HD2 LEU1036 -4.955 -3.489 -4.433 957 3HD2 LEU1036 3HD2 LEU1036 -3.376 -2.741 -4.184 958 H ASP1037 H ASP1037 -0.859 -6.954 -5.666 959 HA ASP1037 HA ASP1037 -2.415 -9.260 -6.503 960 1HB ASP1037 HB1 ASP1037 -1.742 -7.749 -8.254 961 2HB ASP1037 HB2 ASP1037 -0.061 -7.812 -7.736 962 H VAL1038 H VAL1038 0.809 -8.447 -5.380 963 HA VAL1038 HA VAL1038 2.113 -10.859 -5.303 964 HB VAL1038 HB VAL1038 2.115 -8.505 -3.450 965 1HG1 VAL1038 1HG1 VAL1038 4.010 -9.439 -2.224 966 2HG1 VAL1038 2HG1 VAL1038 2.554 -10.410 -2.003 967 3HG1 VAL1038 3HG1 VAL1038 3.822 -10.961 -3.095 968 1HG2 VAL1038 1HG2 VAL1038 3.197 -8.242 -5.600 969 2HG2 VAL1038 2HG2 VAL1038 4.398 -8.231 -4.309 970 3HG2 VAL1038 3HG2 VAL1038 4.182 -9.673 -5.301 971 H ILE1039 H ILE1039 0.271 -9.527 -2.605 972 HA ILE1039 HA ILE1039 0.242 -12.029 -1.240 973 HB ILE1039 HB ILE1039 -1.264 -10.784 0.416 974 1HG1 ILE1039 1HG1 ILE1039 -1.046 -8.332 0.367 975 2HG1 ILE1039 2HG1 ILE1039 -0.257 -8.432 -1.200 976 1HG2 ILE1039 1HG2 ILE1039 1.536 -9.808 -0.117 977 2HG2 ILE1039 2HG2 ILE1039 0.670 -9.692 1.415 978 3HG2 ILE1039 3HG2 ILE1039 1.095 -11.272 0.761 979 1HD1 ILE1039 1HD1 ILE1039 -2.574 -7.757 -1.401 980 2HD1 ILE1039 2HD1 ILE1039 -2.296 -9.317 -2.178 981 3HD1 ILE1039 3HD1 ILE1039 -3.085 -9.243 -0.602 982 H ASP1040 H ASP1040 -2.109 -10.270 -3.207 983 HA ASP1040 HA ASP1040 -4.210 -12.069 -2.860 984 1HB ASP1040 HB1 ASP1040 -4.520 -10.174 -4.341 985 2HB ASP1040 HB2 ASP1040 -3.273 -10.771 -5.431 986 H GLN1041 H GLN1041 -1.241 -12.332 -4.719 987 HA GLN1041 HA GLN1041 -1.807 -15.032 -5.451 988 1HB GLN1041 HB1 GLN1041 0.780 -13.490 -5.369 989 2HB GLN1041 HB2 GLN1041 0.719 -15.198 -5.783 990 1HG GLN1041 HG1 GLN1041 -0.712 -12.991 -7.250 991 2HG GLN1041 HG2 GLN1041 0.793 -13.754 -7.761 992 1HE2 GLN1041 2HE2 GLN1041 -2.635 -14.107 -7.440 993 2HE2 GLN1041 1HE2 GLN1041 -2.785 -15.554 -8.378 994 H ALA1042 H ALA1042 -0.188 -13.491 -2.711 995 HA ALA1042 HA ALA1042 0.900 -15.651 -1.467 996 1HB ALA1042 HB1 ALA1042 1.012 -13.334 -0.630 997 2HB ALA1042 HB2 ALA1042 -0.643 -13.503 -0.044 998 3HB ALA1042 HB3 ALA1042 0.637 -14.511 0.628 999 H ARG1043 H ARG1043 -2.421 -14.479 -0.941 1000 HA ARG1043 HA ARG1043 -3.344 -16.571 0.583 1001 1HB ARG1043 HB1 ARG1043 -5.613 -16.047 -0.230 1002 2HB ARG1043 HB2 ARG1043 -4.710 -14.630 0.260 1003 1HG ARG1043 HG1 ARG1043 -5.767 -13.910 -1.634 1004 2HG ARG1043 HG2 ARG1043 -4.194 -14.397 -2.260 1005 1HD ARG1043 HD1 ARG1043 -5.149 -16.546 -2.966 1006 2HD ARG1043 HD2 ARG1043 -6.729 -16.041 -2.358 1007 HE ARG1043 HE ARG1043 -5.965 -14.059 -4.111 1008 1HH1 ARG1043 2HH1 ARG1043 -6.483 -17.518 -4.359 1009 2HH1 ARG1043 1HH1 ARG1043 -6.875 -17.463 -6.051 1010 1HH2 ARG1043 2HH2 ARG1043 -6.466 -13.983 -6.299 1011 2HH2 ARG1043 1HH2 ARG1043 -6.875 -15.443 -7.154 1012 H LEU1044 H LEU1044 -3.040 -16.510 -2.958 1013 HA LEU1044 HA LEU1044 -4.161 -19.165 -3.182 1014 1HB LEU1044 HB1 LEU1044 -4.431 -17.517 -4.974 1015 2HB LEU1044 HB2 LEU1044 -2.704 -17.499 -5.218 1016 HG LEU1044 HG LEU1044 -2.817 -19.913 -5.850 1017 1HD1 LEU1044 1HD1 LEU1044 -4.907 -20.441 -4.686 1018 2HD1 LEU1044 2HD1 LEU1044 -5.791 -19.427 -5.826 1019 3HD1 LEU1044 3HD1 LEU1044 -4.971 -20.882 -6.394 1020 1HD2 LEU1044 1HD2 LEU1044 -2.734 -18.168 -7.544 1021 2HD2 LEU1044 2HD2 LEU1044 -3.756 -19.503 -8.071 1022 3HD2 LEU1044 3HD2 LEU1044 -4.490 -18.012 -7.486 1023 H LYS1045 H LYS1045 -1.004 -17.804 -2.705 1024 HA LYS1045 HA LYS1045 0.603 -19.976 -3.511 1025 1HB LYS1045 HB1 LYS1045 1.084 -18.093 -1.190 1026 2HB LYS1045 HB2 LYS1045 2.294 -19.103 -1.957 1027 1HG LYS1045 HG1 LYS1045 0.966 -16.641 -2.991 1028 2HG LYS1045 HG2 LYS1045 2.678 -16.961 -2.750 1029 1HD LYS1045 HD1 LYS1045 0.975 -18.368 -4.804 1030 2HD LYS1045 HD2 LYS1045 1.926 -16.924 -5.143 1031 1HE LYS1045 HE1 LYS1045 3.950 -18.179 -4.393 1032 2HE LYS1045 HE2 LYS1045 2.946 -19.626 -4.286 1033 1HZ LYS1045 HZ1 LYS1045 3.517 -18.029 -6.727 1034 2HZ LYS1045 HZ2 LYS1045 4.044 -19.609 -6.392 1035 3HZ LYS1045 HZ3 LYS1045 2.399 -19.307 -6.662 1036 H MET1046 H MET1046 -0.963 -19.145 -0.488 1037 HA MET1046 HA MET1046 -0.165 -21.398 0.996 1038 1HB MET1046 HB1 MET1046 -1.236 -19.335 1.925 1039 2HB MET1046 HB2 MET1046 -2.761 -19.870 1.239 1040 1HG MET1046 HG1 MET1046 -1.227 -21.593 3.139 1041 2HG MET1046 HG2 MET1046 -2.289 -20.315 3.725 1042 1HE MET1046 HE1 MET1046 -3.681 -22.090 5.132 1043 2HE MET1046 HE2 MET1046 -4.365 -23.564 4.445 1044 3HE MET1046 HE3 MET1046 -2.616 -23.375 4.561 1045 H ILE1047 H ILE1047 -2.895 -20.809 -1.152 1046 HA ILE1047 HA ILE1047 -4.137 -23.311 -0.948 1047 HB ILE1047 HB ILE1047 -3.992 -21.413 -3.288 1048 1HG1 ILE1047 1HG1 ILE1047 -5.106 -20.502 -1.324 1049 2HG1 ILE1047 2HG1 ILE1047 -6.287 -20.836 -2.587 1050 1HG2 ILE1047 1HG2 ILE1047 -4.469 -23.660 -4.102 1051 2HG2 ILE1047 2HG2 ILE1047 -5.776 -23.817 -2.927 1052 3HG2 ILE1047 3HG2 ILE1047 -5.897 -22.631 -4.225 1053 1HD1 ILE1047 1HD1 ILE1047 -6.924 -22.896 -1.438 1054 2HD1 ILE1047 2HD1 ILE1047 -5.742 -22.552 -0.174 1055 3HD1 ILE1047 3HD1 ILE1047 -7.124 -21.480 -0.405 1056 H SER1048 H SER1048 -1.385 -22.205 -2.856 1057 HA SER1048 HA SER1048 -1.082 -24.464 -4.492 1058 1HB SER1048 HB1 SER1048 0.077 -22.276 -4.830 1059 2HB SER1048 HB2 SER1048 1.111 -22.643 -3.448 1060 HG SER1048 HG SER1048 1.423 -24.720 -4.838 1061 H GLN1049 H GLN1049 -0.400 -23.978 -1.146 1062 HA GLN1049 HA GLN1049 1.381 -26.254 -0.955 1063 1HB GLN1049 HB1 GLN1049 1.766 -24.338 0.490 1064 2HB GLN1049 HB2 GLN1049 0.152 -24.489 1.167 1065 1HG GLN1049 HG1 GLN1049 0.710 -26.515 2.265 1066 2HG GLN1049 HG2 GLN1049 2.239 -26.636 1.396 1067 1HE2 GLN1049 2HE2 GLN1049 3.956 -25.358 1.999 1068 2HE2 GLN1049 1HE2 GLN1049 4.003 -24.510 3.504 1069 H SER1050 H SER1050 -1.982 -25.484 -0.175 1070 HA SER1050 HA SER1050 -2.476 -28.113 0.935 1071 1HB SER1050 HB1 SER1050 -3.637 -26.068 1.772 1072 2HB SER1050 HB2 SER1050 -4.445 -25.925 0.212 1073 HG SER1050 HG SER1050 -4.938 -28.348 0.911 1074 H ARG1051 H ARG1051 -2.765 -26.485 -2.089 1075 HA ARG1051 HA ARG1051 -3.890 -28.902 -3.335 1076 1HB ARG1051 HB1 ARG1051 -5.548 -27.213 -3.554 1077 2HB ARG1051 HB2 ARG1051 -4.354 -25.975 -3.902 1078 1HG ARG1051 HG1 ARG1051 -5.600 -26.498 -5.889 1079 2HG ARG1051 HG2 ARG1051 -3.927 -27.019 -6.084 1080 1HD ARG1051 HD1 ARG1051 -5.336 -28.724 -6.960 1081 2HD ARG1051 HD2 ARG1051 -4.644 -29.315 -5.452 1082 HE ARG1051 HE ARG1051 -7.148 -28.127 -4.947 1083 1HH1 ARG1051 2HH1 ARG1051 -5.748 -30.943 -6.488 1084 2HH1 ARG1051 1HH1 ARG1051 -7.103 -31.977 -6.106 1085 1HH2 ARG1051 2HH2 ARG1051 -8.963 -29.449 -4.526 1086 2HH2 ARG1051 1HH2 ARG1051 -8.942 -31.112 -5.020 1087 HA PRO1052 HA PRO1052 0.289 -28.285 -5.082 1088 1HB PRO1052 HB1 PRO1052 1.027 -30.868 -5.076 1089 2HB PRO1052 HB2 PRO1052 1.085 -29.874 -3.618 1090 1HG PRO1052 HG1 PRO1052 -0.919 -31.925 -4.438 1091 2HG PRO1052 HG2 PRO1052 -0.273 -31.565 -2.828 1092 1HD PRO1052 HD1 PRO1052 -2.722 -30.703 -3.798 1093 2HD PRO1052 HD2 PRO1052 -1.847 -29.970 -2.441 1094 H HIS1053 H HIS1053 -2.354 -30.340 -6.043 1095 HA HIS1053 HA HIS1053 -1.617 -29.952 -8.827 1096 1HB HIS1053 HB1 HIS1053 -2.009 -32.300 -9.421 1097 2HB HIS1053 HB2 HIS1053 -0.671 -32.150 -8.294 1098 HD1 HIS1053 HD1 HIS1053 -3.883 -33.834 -8.795 1099 HD2 HIS1053 HD2 HIS1053 -1.333 -33.037 -5.604 1100 HE1 HIS1053 HE1 HIS1053 -4.581 -35.405 -6.958 1101 HE2 HIS1053 HE2 HIS1053 -3.030 -34.910 -5.034 Start of MODEL 22 1 1H ARG 920 H ARG 920 -7.636 -19.480 -3.361 2 HA ARG 920 HA ARG 920 -8.575 -19.761 -0.747 3 1HB ARG 920 HB1 ARG 920 -6.225 -19.427 -1.270 4 2HB ARG 920 HB2 ARG 920 -6.563 -17.820 -1.893 5 1HG ARG 920 HG1 ARG 920 -5.578 -17.654 0.279 6 2HG ARG 920 HG2 ARG 920 -7.255 -17.114 0.357 7 1HD ARG 920 HD1 ARG 920 -7.824 -19.454 1.145 8 2HD ARG 920 HD2 ARG 920 -6.086 -19.714 1.321 9 HE ARG 920 HE ARG 920 -6.276 -17.584 2.803 10 1HH1 ARG 920 2HH1 ARG 920 -8.658 -20.140 2.566 11 2HH1 ARG 920 1HH1 ARG 920 -9.275 -19.902 4.167 12 1HH2 ARG 920 2HH2 ARG 920 -7.066 -17.265 4.910 13 2HH2 ARG 920 1HH2 ARG 920 -8.350 -18.265 5.520 14 H SER 921 H SER 921 -9.375 -17.442 -3.135 15 HA SER 921 HA SER 921 -10.791 -15.684 -3.203 16 1HB SER 921 HB1 SER 921 -11.467 -16.338 -0.329 17 2HB SER 921 HB2 SER 921 -12.406 -15.332 -1.431 18 HG SER 921 HG SER 921 -11.834 -18.089 -1.818 19 H ASN 922 H ASN 922 -8.081 -15.870 -1.534 20 HA ASN 922 HA ASN 922 -6.505 -14.396 -0.850 21 1HB ASN 922 HB1 ASN 922 -7.929 -12.122 -2.138 22 2HB ASN 922 HB2 ASN 922 -6.231 -12.582 -2.221 23 1HD2 ASN 922 2HD2 ASN 922 -5.651 -14.380 -3.569 24 2HD2 ASN 922 1HD2 ASN 922 -6.622 -14.752 -4.953 25 H ASP 923 H ASP 923 -7.119 -14.685 1.169 26 HA ASP 923 HA ASP 923 -9.076 -13.429 2.649 27 1HB ASP 923 HB1 ASP 923 -7.719 -14.195 4.611 28 2HB ASP 923 HB2 ASP 923 -8.077 -15.444 3.440 29 H LYS 924 H LYS 924 -8.013 -12.382 4.842 30 HA LYS 924 HA LYS 924 -7.904 -9.785 4.861 31 1HB LYS 924 HB1 LYS 924 -7.124 -11.671 6.622 32 2HB LYS 924 HB2 LYS 924 -5.588 -10.867 6.335 33 1HG LYS 924 HG1 LYS 924 -8.050 -9.307 7.033 34 2HG LYS 924 HG2 LYS 924 -7.049 -10.056 8.277 35 1HD LYS 924 HD1 LYS 924 -5.177 -8.743 7.699 36 2HD LYS 924 HD2 LYS 924 -5.908 -8.231 6.179 37 1HE LYS 924 HE1 LYS 924 -5.962 -6.428 7.792 38 2HE LYS 924 HE2 LYS 924 -7.597 -6.971 7.425 39 1HZ LYS 924 HZ1 LYS 924 -7.648 -8.182 9.497 40 2HZ LYS 924 HZ2 LYS 924 -6.041 -7.747 9.836 41 3HZ LYS 924 HZ3 LYS 924 -7.247 -6.561 9.786 42 H VAL 925 H VAL 925 -5.329 -11.555 3.318 43 HA VAL 925 HA VAL 925 -3.422 -9.511 3.055 44 HB VAL 925 HB VAL 925 -2.695 -10.836 1.032 45 1HG1 VAL 925 1HG1 VAL 925 -1.751 -11.248 3.242 46 2HG1 VAL 925 2HG1 VAL 925 -3.090 -12.329 3.629 47 3HG1 VAL 925 3HG1 VAL 925 -1.941 -12.763 2.362 48 1HG2 VAL 925 1HG2 VAL 925 -3.734 -13.070 0.773 49 2HG2 VAL 925 2HG2 VAL 925 -5.017 -12.559 1.870 50 3HG2 VAL 925 3HG2 VAL 925 -4.797 -11.737 0.327 51 H TYR 926 H TYR 926 -6.064 -10.545 0.791 52 HA TYR 926 HA TYR 926 -5.344 -8.431 -1.068 53 1HB TYR 926 HB1 TYR 926 -6.175 -10.463 -2.004 54 2HB TYR 926 HB2 TYR 926 -7.559 -10.486 -0.924 55 HD1 TYR 926 HD1 TYR 926 -9.585 -9.533 -1.555 56 HD2 TYR 926 HD2 TYR 926 -6.089 -8.703 -3.830 57 HE1 TYR 926 HE1 TYR 926 -10.974 -8.499 -3.301 58 HE2 TYR 926 HE2 TYR 926 -7.467 -7.662 -5.582 59 HH TYR 926 HH TYR 926 -9.845 -7.845 -6.391 60 H GLU 927 H GLU 927 -7.561 -9.064 1.485 61 HA GLU 927 HA GLU 927 -9.395 -6.969 1.055 62 1HB GLU 927 HB1 GLU 927 -8.668 -8.690 3.403 63 2HB GLU 927 HB2 GLU 927 -9.883 -7.433 3.538 64 1HG GLU 927 HG1 GLU 927 -11.111 -8.514 1.661 65 2HG GLU 927 HG2 GLU 927 -9.930 -9.822 1.714 66 H ASN 928 H ASN 928 -6.573 -7.228 3.210 67 HA ASN 928 HA ASN 928 -7.023 -4.629 4.298 68 1HB ASN 928 HB1 ASN 928 -5.800 -6.650 5.365 69 2HB ASN 928 HB2 ASN 928 -4.392 -6.026 4.508 70 1HD2 ASN 928 2HD2 ASN 928 -3.483 -5.749 6.568 71 2HD2 ASN 928 1HD2 ASN 928 -3.850 -4.342 7.504 72 H VAL 929 H VAL 929 -4.974 -5.865 1.694 73 HA VAL 929 HA VAL 929 -3.575 -3.437 1.318 74 HB VAL 929 HB VAL 929 -4.321 -5.369 -0.889 75 1HG1 VAL 929 1HG1 VAL 929 -3.634 -3.150 -1.644 76 2HG1 VAL 929 2HG1 VAL 929 -2.172 -3.263 -0.664 77 3HG1 VAL 929 3HG1 VAL 929 -2.408 -4.358 -2.026 78 1HG2 VAL 929 1HG2 VAL 929 -2.099 -6.310 -0.560 79 2HG2 VAL 929 2HG2 VAL 929 -1.842 -5.242 0.821 80 3HG2 VAL 929 3HG2 VAL 929 -3.084 -6.492 0.891 81 H THR 930 H THR 930 -6.604 -4.609 -0.213 82 HA THR 930 HA THR 930 -7.508 -2.303 -1.348 83 HB THR 930 HB THR 930 -9.162 -4.103 0.443 84 HG1 THR 930 HG1 THR 930 -8.307 -5.423 -1.101 85 1HG2 THR 930 1HG2 THR 930 -11.048 -3.395 -0.952 86 2HG2 THR 930 2HG2 THR 930 -10.300 -2.012 -0.153 87 3HG2 THR 930 3HG2 THR 930 -9.980 -2.323 -1.859 88 H GLY 931 H GLY 931 -7.017 -2.983 2.004 89 1HA GLY 931 HA1 GLY 931 -8.479 -0.783 3.102 90 2HA GLY 931 HA2 GLY 931 -7.271 -1.755 3.934 91 H LEU 932 H LEU 932 -5.197 -1.227 1.877 92 HA LEU 932 HA LEU 932 -4.152 1.229 2.822 93 1HB LEU 932 HB1 LEU 932 -2.887 -0.726 1.734 94 2HB LEU 932 HB2 LEU 932 -3.431 -0.078 0.199 95 HG LEU 932 HG LEU 932 -1.800 1.549 2.152 96 1HD1 LEU 932 1HD1 LEU 932 0.161 0.992 0.812 97 2HD1 LEU 932 2HD1 LEU 932 -0.533 -0.447 1.561 98 3HD1 LEU 932 3HD1 LEU 932 -0.809 -0.123 -0.150 99 1HD2 LEU 932 1HD2 LEU 932 -2.986 2.838 0.454 100 2HD2 LEU 932 2HD2 LEU 932 -1.245 2.866 0.163 101 3HD2 LEU 932 3HD2 LEU 932 -2.286 1.830 -0.814 102 H VAL 933 H VAL 933 -5.771 0.275 -0.189 103 HA VAL 933 HA VAL 933 -6.031 2.786 -1.367 104 HB VAL 933 HB VAL 933 -8.120 0.602 -1.427 105 1HG1 VAL 933 1HG1 VAL 933 -8.669 1.521 -3.628 106 2HG1 VAL 933 2HG1 VAL 933 -8.881 2.721 -2.354 107 3HG1 VAL 933 3HG1 VAL 933 -7.463 2.787 -3.400 108 1HG2 VAL 933 1HG2 VAL 933 -5.904 -0.295 -1.973 109 2HG2 VAL 933 2HG2 VAL 933 -6.961 -0.275 -3.385 110 3HG2 VAL 933 3HG2 VAL 933 -5.707 0.952 -3.205 111 H LYS 934 H LYS 934 -8.119 1.136 0.916 112 HA LYS 934 HA LYS 934 -10.114 3.050 1.238 113 1HB LYS 934 HB1 LYS 934 -9.021 1.297 3.445 114 2HB LYS 934 HB2 LYS 934 -10.588 2.082 3.425 115 1HG LYS 934 HG1 LYS 934 -9.687 -0.125 1.583 116 2HG LYS 934 HG2 LYS 934 -10.771 -0.295 2.958 117 1HD LYS 934 HD1 LYS 934 -12.274 -0.185 1.224 118 2HD LYS 934 HD2 LYS 934 -12.179 1.516 1.683 119 1HE LYS 934 HE1 LYS 934 -10.654 1.973 -0.119 120 2HE LYS 934 HE2 LYS 934 -10.541 0.259 -0.515 121 1HZ LYS 934 HZ1 LYS 934 -12.031 1.429 -2.024 122 2HZ LYS 934 HZ2 LYS 934 -12.876 0.271 -1.118 123 3HZ LYS 934 HZ3 LYS 934 -13.002 1.912 -0.721 124 H ALA 935 H ALA 935 -7.017 2.760 2.949 125 HA ALA 935 HA ALA 935 -7.544 5.047 4.593 126 1HB ALA 935 HB1 ALA 935 -6.180 3.200 5.407 127 2HB ALA 935 HB2 ALA 935 -4.967 3.553 4.175 128 3HB ALA 935 HB3 ALA 935 -5.298 4.727 5.448 129 H VAL 936 H VAL 936 -5.908 4.541 1.505 130 HA VAL 936 HA VAL 936 -4.898 7.237 1.531 131 HB VAL 936 HB VAL 936 -3.792 5.431 0.188 132 1HG1 VAL 936 1HG1 VAL 936 -4.668 4.829 -1.977 133 2HG1 VAL 936 2HG1 VAL 936 -5.849 4.432 -0.730 134 3HG1 VAL 936 3HG1 VAL 936 -6.077 5.863 -1.730 135 1HG2 VAL 936 1HG2 VAL 936 -4.635 7.903 -1.321 136 2HG2 VAL 936 2HG2 VAL 936 -3.282 7.773 -0.198 137 3HG2 VAL 936 3HG2 VAL 936 -3.257 6.876 -1.717 138 H ILE 937 H ILE 937 -7.874 5.704 0.819 139 HA ILE 937 HA ILE 937 -9.078 7.838 -0.617 140 HB ILE 937 HB ILE 937 -10.280 5.701 1.147 141 1HG1 ILE 937 1HG1 ILE 937 -9.379 4.895 -0.963 142 2HG1 ILE 937 2HG1 ILE 937 -11.137 4.827 -1.001 143 1HG2 ILE 937 1HG2 ILE 937 -11.721 7.660 1.268 144 2HG2 ILE 937 2HG2 ILE 937 -11.764 7.750 -0.493 145 3HG2 ILE 937 3HG2 ILE 937 -12.485 6.371 0.336 146 1HD1 ILE 937 1HD1 ILE 937 -9.436 6.958 -2.271 147 2HD1 ILE 937 2HD1 ILE 937 -10.211 5.613 -3.109 148 3HD1 ILE 937 3HD1 ILE 937 -11.196 6.855 -2.337 149 H GLU 938 H GLU 938 -8.322 7.228 2.718 150 HA GLU 938 HA GLU 938 -9.756 9.354 3.913 151 1HB GLU 938 HB1 GLU 938 -7.035 8.256 4.689 152 2HB GLU 938 HB2 GLU 938 -8.080 9.238 5.708 153 1HG GLU 938 HG1 GLU 938 -8.691 6.466 4.699 154 2HG GLU 938 HG2 GLU 938 -8.218 6.906 6.341 155 H MET 939 H MET 939 -6.493 9.081 2.643 156 HA MET 939 HA MET 939 -5.676 11.728 2.793 157 1HB MET 939 HB1 MET 939 -4.125 9.997 2.187 158 2HB MET 939 HB2 MET 939 -5.048 9.598 0.746 159 1HG MET 939 HG1 MET 939 -4.487 11.787 -0.203 160 2HG MET 939 HG2 MET 939 -3.533 12.153 1.233 161 1HE MET 939 HE1 MET 939 -1.499 12.705 -0.474 162 2HE MET 939 HE2 MET 939 -0.900 11.543 -1.655 163 3HE MET 939 HE3 MET 939 -2.513 12.232 -1.839 164 H SER 940 H SER 940 -7.651 10.125 0.359 165 HA SER 940 HA SER 940 -7.734 12.286 -1.462 166 1HB SER 940 HB1 SER 940 -9.768 10.073 -1.091 167 2HB SER 940 HB2 SER 940 -9.555 11.076 -2.527 168 HG SER 940 HG SER 940 -7.420 9.534 -1.504 169 H SER 941 H SER 941 -9.779 11.378 1.284 170 HA SER 941 HA SER 941 -11.774 13.385 0.696 171 1HB SER 941 HB1 SER 941 -12.343 11.271 1.877 172 2HB SER 941 HB2 SER 941 -11.305 11.757 3.214 173 HG SER 941 HG SER 941 -13.798 12.235 3.069 174 H LYS 942 H LYS 942 -9.160 12.843 2.920 175 HA LYS 942 HA LYS 942 -9.129 15.059 4.498 176 1HB LYS 942 HB1 LYS 942 -7.206 13.111 3.507 177 2HB LYS 942 HB2 LYS 942 -6.468 14.670 3.840 178 1HG LYS 942 HG1 LYS 942 -8.202 13.239 5.824 179 2HG LYS 942 HG2 LYS 942 -6.452 13.010 5.723 180 1HD LYS 942 HD1 LYS 942 -6.123 15.404 6.036 181 2HD LYS 942 HD2 LYS 942 -7.871 15.628 6.146 182 1HE LYS 942 HE1 LYS 942 -6.227 13.915 8.014 183 2HE LYS 942 HE2 LYS 942 -6.735 15.567 8.360 184 1HZ LYS 942 HZ1 LYS 942 -9.053 14.821 8.149 185 2HZ LYS 942 HZ2 LYS 942 -8.518 13.221 7.935 186 3HZ LYS 942 HZ3 LYS 942 -8.230 14.027 9.401 187 H ILE 943 H ILE 943 -7.533 14.740 1.323 188 HA ILE 943 HA ILE 943 -6.497 17.361 1.379 189 HB ILE 943 HB ILE 943 -5.526 15.520 0.022 190 1HG1 ILE 943 1HG1 ILE 943 -6.278 17.977 -1.574 191 2HG1 ILE 943 2HG1 ILE 943 -4.966 17.894 -0.403 192 1HG2 ILE 943 1HG2 ILE 943 -7.571 14.560 -0.864 193 2HG2 ILE 943 2HG2 ILE 943 -7.871 16.026 -1.799 194 3HG2 ILE 943 3HG2 ILE 943 -6.477 15.012 -2.173 195 1HD1 ILE 943 1HD1 ILE 943 -5.154 16.295 -2.945 196 2HD1 ILE 943 2HD1 ILE 943 -4.150 17.723 -2.690 197 3HD1 ILE 943 3HD1 ILE 943 -3.830 16.244 -1.783 198 H GLN 944 H GLN 944 -9.587 16.110 0.353 199 HA GLN 944 HA GLN 944 -10.359 18.001 -1.502 200 1HB GLN 944 HB1 GLN 944 -12.055 16.623 0.578 201 2HB GLN 944 HB2 GLN 944 -12.712 17.590 -0.737 202 1HG GLN 944 HG1 GLN 944 -11.080 15.076 -0.986 203 2HG GLN 944 HG2 GLN 944 -12.805 15.253 -1.302 204 1HE2 GLN 944 2HE2 GLN 944 -10.625 14.363 -3.053 205 2HE2 GLN 944 1HE2 GLN 944 -10.670 15.411 -4.431 206 HA PRO 945 HA PRO 945 -11.357 21.261 1.656 207 1HB PRO 945 HB1 PRO 945 -12.083 20.747 4.174 208 2HB PRO 945 HB2 PRO 945 -13.168 20.420 2.818 209 1HG PRO 945 HG1 PRO 945 -11.681 18.533 4.525 210 2HG PRO 945 HG2 PRO 945 -13.141 18.269 3.560 211 1HD PRO 945 HD1 PRO 945 -10.400 17.648 2.884 212 2HD PRO 945 HD2 PRO 945 -11.872 17.293 1.959 213 H ALA 946 H ALA 946 -8.749 19.458 2.000 214 HA ALA 946 HA ALA 946 -7.685 20.241 4.531 215 1HB ALA 946 HB1 ALA 946 -5.645 19.160 3.820 216 2HB ALA 946 HB2 ALA 946 -7.038 18.152 3.429 217 3HB ALA 946 HB3 ALA 946 -6.239 19.080 2.161 218 HA PRO 947 HA PRO 947 -5.197 23.761 3.167 219 1HB PRO 947 HB1 PRO 947 -4.312 24.431 5.600 220 2HB PRO 947 HB2 PRO 947 -5.969 24.811 5.115 221 1HG PRO 947 HG1 PRO 947 -4.964 22.597 6.853 222 2HG PRO 947 HG2 PRO 947 -6.414 23.601 7.042 223 1HD PRO 947 HD1 PRO 947 -6.374 21.044 5.964 224 2HD PRO 947 HD2 PRO 947 -7.655 22.243 5.696 225 HA PRO 948 HA PRO 948 -1.077 21.930 3.109 226 1HB PRO 948 HB1 PRO 948 0.385 23.594 4.830 227 2HB PRO 948 HB2 PRO 948 0.220 23.791 3.083 228 1HG PRO 948 HG1 PRO 948 -1.263 25.134 5.293 229 2HG PRO 948 HG2 PRO 948 -0.756 25.783 3.721 230 1HD PRO 948 HD1 PRO 948 -3.307 25.124 4.179 231 2HD PRO 948 HD2 PRO 948 -2.549 24.798 2.604 232 H GLU 949 H GLU 949 -2.182 23.014 6.221 233 HA GLU 949 HA GLU 949 -0.623 21.449 7.905 234 1HB GLU 949 HB1 GLU 949 -3.449 22.426 8.303 235 2HB GLU 949 HB2 GLU 949 -2.371 21.872 9.577 236 1HG GLU 949 HG1 GLU 949 -2.041 24.306 7.844 237 2HG GLU 949 HG2 GLU 949 -2.400 24.260 9.569 238 H GLU 950 H GLU 950 -3.110 20.490 5.767 239 HA GLU 950 HA GLU 950 -3.374 17.966 7.240 240 1HB GLU 950 HB1 GLU 950 -5.407 19.541 5.816 241 2HB GLU 950 HB2 GLU 950 -5.425 17.810 5.487 242 1HG GLU 950 HG1 GLU 950 -6.924 18.135 7.253 243 2HG GLU 950 HG2 GLU 950 -5.472 17.457 7.980 244 H TYR 951 H TYR 951 -2.135 19.388 4.442 245 HA TYR 951 HA TYR 951 -2.245 17.260 2.621 246 1HB TYR 951 HB1 TYR 951 -0.233 19.407 3.154 247 2HB TYR 951 HB2 TYR 951 0.162 18.105 2.043 248 HD1 TYR 951 HD1 TYR 951 -2.299 20.809 2.661 249 HD2 TYR 951 HD2 TYR 951 -0.527 18.183 -0.163 250 HE1 TYR 951 HE1 TYR 951 -3.358 22.065 0.845 251 HE2 TYR 951 HE2 TYR 951 -1.584 19.421 -1.991 252 HH TYR 951 HH TYR 951 -2.975 22.477 -1.591 253 H VAL 952 H VAL 952 -0.069 17.927 5.318 254 HA VAL 952 HA VAL 952 1.348 15.485 4.871 255 HB VAL 952 HB VAL 952 2.844 16.816 5.897 256 1HG1 VAL 952 1HG1 VAL 952 2.320 18.450 7.694 257 2HG1 VAL 952 2HG1 VAL 952 1.449 18.743 6.192 258 3HG1 VAL 952 3HG1 VAL 952 0.621 18.005 7.564 259 1HG2 VAL 952 1HG2 VAL 952 3.131 16.280 8.274 260 2HG2 VAL 952 2HG2 VAL 952 1.487 15.643 8.332 261 3HG2 VAL 952 3HG2 VAL 952 2.704 14.854 7.330 262 HA PRO 953 HA PRO 953 -1.416 13.763 8.596 263 1HB PRO 953 HB1 PRO 953 -3.740 15.527 8.026 264 2HB PRO 953 HB2 PRO 953 -3.241 14.779 9.551 265 1HG PRO 953 HG1 PRO 953 -2.755 17.333 9.156 266 2HG PRO 953 HG2 PRO 953 -1.496 16.300 9.868 267 1HD PRO 953 HD1 PRO 953 -1.736 17.336 7.066 268 2HD PRO 953 HD2 PRO 953 -0.295 17.185 8.091 269 H MET 954 H MET 954 -2.660 14.914 5.455 270 HA MET 954 HA MET 954 -4.594 12.840 5.226 271 1HB MET 954 HB1 MET 954 -4.886 13.477 2.956 272 2HB MET 954 HB2 MET 954 -4.560 14.960 3.838 273 1HG MET 954 HG1 MET 954 -2.240 14.893 3.070 274 2HG MET 954 HG2 MET 954 -2.591 13.422 2.165 275 1HE MET 954 HE1 MET 954 -1.671 14.464 -0.060 276 2HE MET 954 HE2 MET 954 -2.147 16.051 -0.667 277 3HE MET 954 HE3 MET 954 -1.242 15.917 0.842 278 H VAL 955 H VAL 955 -1.289 13.214 4.067 279 HA VAL 955 HA VAL 955 -1.124 10.569 3.037 280 HB VAL 955 HB VAL 955 1.128 12.438 3.837 281 1HG1 VAL 955 1HG1 VAL 955 2.527 11.046 2.393 282 2HG1 VAL 955 2HG1 VAL 955 1.881 10.124 3.752 283 3HG1 VAL 955 3HG1 VAL 955 1.173 9.943 2.146 284 1HG2 VAL 955 1HG2 VAL 955 -0.362 13.332 2.100 285 2HG2 VAL 955 2HG2 VAL 955 1.242 12.966 1.465 286 3HG2 VAL 955 3HG2 VAL 955 -0.107 11.877 1.139 287 H LYS 956 H LYS 956 -0.817 11.971 6.176 288 HA LYS 956 HA LYS 956 0.525 9.910 7.534 289 1HB LYS 956 HB1 LYS 956 -0.105 12.023 8.617 290 2HB LYS 956 HB2 LYS 956 -1.806 11.603 8.458 291 1HG LYS 956 HG1 LYS 956 -1.443 9.678 9.950 292 2HG LYS 956 HG2 LYS 956 0.233 10.195 10.163 293 1HD LYS 956 HD1 LYS 956 -0.434 12.209 11.228 294 2HD LYS 956 HD2 LYS 956 -2.119 11.976 10.755 295 1HE LYS 956 HE1 LYS 956 -0.568 10.240 12.674 296 2HE LYS 956 HE2 LYS 956 -1.763 11.458 13.119 297 1HZ LYS 956 HZ1 LYS 956 -2.240 8.952 11.600 298 2HZ LYS 956 HZ2 LYS 956 -2.813 9.336 13.148 299 3HZ LYS 956 HZ3 LYS 956 -3.406 10.172 11.798 300 H GLU 957 H GLU 957 -2.959 10.302 6.835 301 HA GLU 957 HA GLU 957 -3.933 7.925 7.658 302 1HB GLU 957 HB1 GLU 957 -4.671 9.183 5.010 303 2HB GLU 957 HB2 GLU 957 -5.690 8.172 6.023 304 1HG GLU 957 HG1 GLU 957 -4.653 10.894 6.779 305 2HG GLU 957 HG2 GLU 957 -6.264 10.554 6.152 306 H VAL 958 H VAL 958 -2.415 8.451 4.422 307 HA VAL 958 HA VAL 958 -2.649 5.690 3.739 308 HB VAL 958 HB VAL 958 -2.311 7.604 2.084 309 1HG1 VAL 958 1HG1 VAL 958 -0.012 8.094 1.435 310 2HG1 VAL 958 2HG1 VAL 958 -0.345 8.615 3.086 311 3HG1 VAL 958 3HG1 VAL 958 0.576 7.139 2.796 312 1HG2 VAL 958 1HG2 VAL 958 -0.673 5.090 1.829 313 2HG2 VAL 958 2HG2 VAL 958 -2.376 5.290 1.407 314 3HG2 VAL 958 3HG2 VAL 958 -1.134 6.148 0.492 315 H GLY 959 H GLY 959 -0.372 7.499 5.611 316 1HA GLY 959 HA1 GLY 959 1.713 5.605 5.745 317 2HA GLY 959 HA2 GLY 959 1.296 6.755 7.008 318 H LEU 960 H LEU 960 -1.294 5.945 7.591 319 HA LEU 960 HA LEU 960 -0.902 3.582 9.147 320 1HB LEU 960 HB1 LEU 960 -2.363 5.462 9.837 321 2HB LEU 960 HB2 LEU 960 -3.448 5.080 8.514 322 HG LEU 960 HG LEU 960 -3.801 2.825 9.561 323 1HD1 LEU 960 1HD1 LEU 960 -2.341 4.093 11.872 324 2HD1 LEU 960 2HD1 LEU 960 -3.209 2.558 11.916 325 3HD1 LEU 960 3HD1 LEU 960 -1.776 2.733 10.904 326 1HD2 LEU 960 1HD2 LEU 960 -4.546 5.241 11.199 327 2HD2 LEU 960 2HD2 LEU 960 -5.427 4.610 9.808 328 3HD2 LEU 960 3HD2 LEU 960 -5.322 3.659 11.289 329 H ALA 961 H ALA 961 -1.505 4.051 5.958 330 HA ALA 961 HA ALA 961 -3.484 1.977 5.509 331 1HB ALA 961 HB1 ALA 961 -3.410 3.888 3.988 332 2HB ALA 961 HB2 ALA 961 -1.763 3.465 3.524 333 3HB ALA 961 HB3 ALA 961 -3.098 2.383 3.124 334 H LEU 962 H LEU 962 -0.052 2.433 4.542 335 HA LEU 962 HA LEU 962 0.288 -0.378 4.128 336 1HB LEU 962 HB1 LEU 962 1.618 1.169 2.836 337 2HB LEU 962 HB2 LEU 962 2.269 1.888 4.306 338 HG LEU 962 HG LEU 962 3.377 -0.283 4.831 339 1HD1 LEU 962 1HD1 LEU 962 1.905 -1.756 3.592 340 2HD1 LEU 962 2HD1 LEU 962 2.425 -1.026 2.071 341 3HD1 LEU 962 3HD1 LEU 962 3.572 -1.945 3.046 342 1HD2 LEU 962 1HD2 LEU 962 4.087 0.928 2.166 343 2HD2 LEU 962 2HD2 LEU 962 4.595 1.527 3.745 344 3HD2 LEU 962 3HD2 LEU 962 5.151 -0.049 3.179 345 H ARG 963 H ARG 963 0.370 1.671 6.874 346 HA ARG 963 HA ARG 963 2.120 0.194 8.529 347 1HB ARG 963 HB1 ARG 963 1.198 2.490 9.028 348 2HB ARG 963 HB2 ARG 963 -0.331 1.722 9.427 349 1HG ARG 963 HG1 ARG 963 0.610 1.953 11.500 350 2HG ARG 963 HG2 ARG 963 1.123 0.321 11.075 351 1HD ARG 963 HD1 ARG 963 2.761 2.844 10.843 352 2HD ARG 963 HD2 ARG 963 2.973 1.562 12.032 353 HE ARG 963 HE ARG 963 3.220 0.776 9.248 354 1HH1 ARG 963 2HH1 ARG 963 4.826 1.714 12.199 355 2HH1 ARG 963 1HH1 ARG 963 6.382 1.122 11.699 356 1HH2 ARG 963 2HH2 ARG 963 5.239 -0.031 8.577 357 2HH2 ARG 963 1HH2 ARG 963 6.614 0.104 9.638 358 H THR 964 H THR 964 -1.447 0.264 8.758 359 HA THR 964 HA THR 964 -1.765 -2.143 10.068 360 HB THR 964 HB THR 964 -3.724 -1.050 8.049 361 HG1 THR 964 HG1 THR 964 -3.597 0.727 9.205 362 1HG2 THR 964 1HG2 THR 964 -5.389 -1.877 9.667 363 2HG2 THR 964 2HG2 THR 964 -4.352 -3.172 9.076 364 3HG2 THR 964 3HG2 THR 964 -4.086 -2.495 10.682 365 H LEU 965 H LEU 965 -0.894 -1.585 6.814 366 HA LEU 965 HA LEU 965 -1.906 -4.069 5.762 367 1HB LEU 965 HB1 LEU 965 -1.631 -2.084 4.320 368 2HB LEU 965 HB2 LEU 965 0.103 -2.163 4.571 369 HG LEU 965 HG LEU 965 0.266 -4.231 3.384 370 1HD1 LEU 965 1HD1 LEU 965 -1.782 -5.268 4.218 371 2HD1 LEU 965 2HD1 LEU 965 -2.745 -4.177 3.220 372 3HD1 LEU 965 3HD1 LEU 965 -1.686 -5.366 2.460 373 1HD2 LEU 965 1HD2 LEU 965 0.165 -2.192 2.031 374 2HD2 LEU 965 2HD2 LEU 965 -0.517 -3.578 1.180 375 3HD2 LEU 965 3HD2 LEU 965 -1.584 -2.371 1.901 376 H LEU 966 H LEU 966 1.166 -2.750 6.869 377 HA LEU 966 HA LEU 966 2.844 -4.909 6.527 378 1HB LEU 966 HB1 LEU 966 3.556 -2.739 7.441 379 2HB LEU 966 HB2 LEU 966 2.703 -3.084 8.933 380 HG LEU 966 HG LEU 966 4.228 -5.017 9.306 381 1HD1 LEU 966 1HD1 LEU 966 5.657 -3.899 6.901 382 2HD1 LEU 966 2HD1 LEU 966 6.301 -5.126 7.991 383 3HD1 LEU 966 3HD1 LEU 966 4.870 -5.472 7.019 384 1HD2 LEU 966 1HD2 LEU 966 4.671 -2.912 10.403 385 2HD2 LEU 966 2HD2 LEU 966 6.192 -3.649 9.899 386 3HD2 LEU 966 3HD2 LEU 966 5.514 -2.311 8.974 387 H ALA 967 H ALA 967 0.343 -4.454 8.984 388 HA ALA 967 HA ALA 967 0.858 -6.728 10.533 389 1HB ALA 967 HB1 ALA 967 -1.491 -6.653 11.178 390 2HB ALA 967 HB2 ALA 967 -0.805 -5.028 11.144 391 3HB ALA 967 HB3 ALA 967 -1.842 -5.575 9.826 392 H THR 968 H THR 968 -1.332 -6.427 7.720 393 HA THR 968 HA THR 968 -1.756 -9.143 7.290 394 HB THR 968 HB THR 968 -1.678 -6.831 5.371 395 HG1 THR 968 HG1 THR 968 -3.985 -8.244 5.634 396 1HG2 THR 968 1HG2 THR 968 -2.450 -9.681 4.755 397 2HG2 THR 968 2HG2 THR 968 -2.671 -8.295 3.687 398 3HG2 THR 968 3HG2 THR 968 -1.044 -8.829 4.113 399 H VAL 969 H VAL 969 0.911 -7.108 6.034 400 HA VAL 969 HA VAL 969 2.256 -9.011 4.568 401 HB VAL 969 HB VAL 969 3.466 -6.868 6.326 402 1HG1 VAL 969 1HG1 VAL 969 5.145 -8.532 5.768 403 2HG1 VAL 969 2HG1 VAL 969 4.706 -8.434 4.063 404 3HG1 VAL 969 3HG1 VAL 969 5.437 -7.046 4.866 405 1HG2 VAL 969 1HG2 VAL 969 3.582 -5.562 4.263 406 2HG2 VAL 969 2HG2 VAL 969 2.798 -6.875 3.384 407 3HG2 VAL 969 3HG2 VAL 969 1.919 -6.008 4.645 408 H ASP 970 H ASP 970 2.100 -8.659 8.057 409 HA ASP 970 HA ASP 970 4.084 -10.610 8.644 410 1HB ASP 970 HB1 ASP 970 3.473 -9.028 10.363 411 2HB ASP 970 HB2 ASP 970 1.789 -9.533 10.293 412 H GLU 971 H GLU 971 0.628 -10.834 8.020 413 HA GLU 971 HA GLU 971 0.292 -13.554 8.651 414 1HB GLU 971 HB1 GLU 971 -0.950 -12.067 6.319 415 2HB GLU 971 HB2 GLU 971 -1.573 -13.521 7.083 416 1HG GLU 971 HG1 GLU 971 -1.236 -10.949 8.580 417 2HG GLU 971 HG2 GLU 971 -2.699 -11.315 7.649 418 H SER 972 H SER 972 1.001 -12.005 5.567 419 HA SER 972 HA SER 972 1.521 -14.396 4.180 420 1HB SER 972 HB1 SER 972 0.759 -12.457 2.979 421 2HB SER 972 HB2 SER 972 2.190 -11.536 3.488 422 HG SER 972 HG SER 972 3.389 -13.316 2.378 423 H LEU 973 H LEU 973 3.549 -12.495 6.245 424 HA LEU 973 HA LEU 973 6.035 -13.041 5.046 425 1HB LEU 973 HB1 LEU 973 5.680 -11.309 6.771 426 2HB LEU 973 HB2 LEU 973 5.464 -12.562 7.978 427 HG LEU 973 HG LEU 973 7.792 -13.300 7.618 428 1HD1 LEU 973 1HD1 LEU 973 9.315 -11.918 6.301 429 2HD1 LEU 973 2HD1 LEU 973 8.037 -12.594 5.291 430 3HD1 LEU 973 3HD1 LEU 973 7.965 -10.905 5.790 431 1HD2 LEU 973 1HD2 LEU 973 8.874 -11.366 8.663 432 2HD2 LEU 973 2HD2 LEU 973 7.489 -10.363 8.236 433 3HD2 LEU 973 3HD2 LEU 973 7.296 -11.693 9.378 434 HA PRO 974 HA PRO 974 6.401 -17.123 7.658 435 1HB PRO 974 HB1 PRO 974 3.534 -17.667 8.205 436 2HB PRO 974 HB2 PRO 974 4.950 -17.986 9.214 437 1HG PRO 974 HG1 PRO 974 3.274 -16.004 9.806 438 2HG PRO 974 HG2 PRO 974 5.026 -15.816 10.025 439 1HD PRO 974 HD1 PRO 974 3.265 -14.787 7.831 440 2HD PRO 974 HD2 PRO 974 4.606 -13.981 8.669 441 H VAL 975 H VAL 975 3.640 -16.151 5.759 442 HA VAL 975 HA VAL 975 3.465 -18.621 4.281 443 HB VAL 975 HB VAL 975 2.418 -15.894 3.456 444 1HG1 VAL 975 1HG1 VAL 975 0.731 -17.162 2.250 445 2HG1 VAL 975 2HG1 VAL 975 2.351 -17.566 1.686 446 3HG1 VAL 975 3HG1 VAL 975 1.488 -18.671 2.755 447 1HG2 VAL 975 1HG2 VAL 975 0.329 -16.554 4.557 448 2HG2 VAL 975 2HG2 VAL 975 1.119 -18.008 5.170 449 3HG2 VAL 975 3HG2 VAL 975 1.662 -16.417 5.703 450 H LEU 976 H LEU 976 5.591 -16.028 4.300 451 HA LEU 976 HA LEU 976 6.447 -16.019 1.596 452 1HB LEU 976 HB1 LEU 976 6.891 -14.039 2.656 453 2HB LEU 976 HB2 LEU 976 7.408 -14.801 4.141 454 HG LEU 976 HG LEU 976 9.138 -14.946 1.688 455 1HD1 LEU 976 1HD1 LEU 976 8.554 -12.588 1.973 456 2HD1 LEU 976 2HD1 LEU 976 9.031 -12.674 3.667 457 3HD1 LEU 976 3HD1 LEU 976 10.238 -12.889 2.400 458 1HD2 LEU 976 1HD2 LEU 976 9.731 -14.869 4.645 459 2HD2 LEU 976 2HD2 LEU 976 9.788 -16.297 3.612 460 3HD2 LEU 976 3HD2 LEU 976 10.932 -14.979 3.357 461 HA PRO 977 HA PRO 977 10.152 -18.788 3.050 462 1HB PRO 977 HB1 PRO 977 9.075 -20.161 5.431 463 2HB PRO 977 HB2 PRO 977 10.685 -19.484 5.156 464 1HG PRO 977 HG1 PRO 977 8.947 -18.315 6.816 465 2HG PRO 977 HG2 PRO 977 10.047 -17.362 5.802 466 1HD PRO 977 HD1 PRO 977 7.142 -17.961 5.403 467 2HD PRO 977 HD2 PRO 977 8.020 -16.440 5.155 468 H ALA 978 H ALA 978 6.798 -19.586 3.618 469 HA ALA 978 HA ALA 978 6.875 -22.231 2.670 470 1HB ALA 978 HB1 ALA 978 4.948 -21.298 3.830 471 2HB ALA 978 HB2 ALA 978 4.635 -20.230 2.462 472 3HB ALA 978 HB3 ALA 978 4.488 -21.976 2.269 473 H SER 979 H SER 979 5.944 -19.260 0.827 474 HA SER 979 HA SER 979 7.338 -20.172 -1.515 475 1HB SER 979 HB1 SER 979 4.305 -20.112 -1.650 476 2HB SER 979 HB2 SER 979 5.398 -20.404 -3.004 477 HG SER 979 HG SER 979 6.108 -22.299 -1.904 478 H THR 980 H THR 980 4.800 -18.002 -0.323 479 HA THR 980 HA THR 980 4.677 -15.989 -2.120 480 HB THR 980 HB THR 980 4.852 -15.465 0.842 481 HG1 THR 980 HG1 THR 980 2.496 -15.822 0.628 482 1HG2 THR 980 1HG2 THR 980 4.760 -13.453 -0.497 483 2HG2 THR 980 2HG2 THR 980 3.395 -14.088 -1.414 484 3HG2 THR 980 3HG2 THR 980 3.205 -13.700 0.296 485 H HIS 981 H HIS 981 7.537 -16.641 -0.275 486 HA HIS 981 HA HIS 981 8.658 -14.223 0.250 487 1HB HIS 981 HB1 HIS 981 9.768 -16.241 0.917 488 2HB HIS 981 HB2 HIS 981 9.986 -16.745 -0.750 489 HD1 HIS 981 HD1 HIS 981 11.283 -14.127 1.677 490 HD2 HIS 981 HD2 HIS 981 12.344 -16.004 -1.871 491 HE1 HIS 981 HE1 HIS 981 13.639 -13.400 1.209 492 HE2 HIS 981 HE2 HIS 981 14.339 -14.782 -0.780 493 H ARG 982 H ARG 982 8.693 -15.822 -2.909 494 HA ARG 982 HA ARG 982 10.339 -13.965 -4.203 495 1HB ARG 982 HB1 ARG 982 9.075 -14.653 -6.305 496 2HB ARG 982 HB2 ARG 982 9.849 -15.940 -5.390 497 1HG ARG 982 HG1 ARG 982 7.805 -16.710 -4.537 498 2HG ARG 982 HG2 ARG 982 6.955 -15.245 -5.026 499 1HD ARG 982 HD1 ARG 982 6.439 -17.145 -6.485 500 2HD ARG 982 HD2 ARG 982 7.222 -15.830 -7.358 501 HE ARG 982 HE ARG 982 9.272 -17.498 -6.647 502 1HH1 ARG 982 2HH1 ARG 982 6.241 -17.907 -8.351 503 2HH1 ARG 982 1HH1 ARG 982 6.865 -19.129 -9.430 504 1HH2 ARG 982 2HH2 ARG 982 10.087 -19.116 -8.042 505 2HH2 ARG 982 1HH2 ARG 982 9.050 -19.819 -9.247 506 H GLU 983 H GLU 983 6.717 -13.942 -4.152 507 HA GLU 983 HA GLU 983 6.699 -11.441 -5.498 508 1HB GLU 983 HB1 GLU 983 4.817 -13.288 -5.398 509 2HB GLU 983 HB2 GLU 983 4.295 -12.354 -4.005 510 1HG GLU 983 HG1 GLU 983 3.129 -11.321 -5.679 511 2HG GLU 983 HG2 GLU 983 4.598 -10.329 -5.617 512 H ILE 984 H ILE 984 5.935 -12.421 -2.149 513 HA ILE 984 HA ILE 984 4.958 -9.989 -1.283 514 HB ILE 984 HB ILE 984 4.869 -11.950 0.149 515 1HG1 ILE 984 1HG1 ILE 984 6.387 -9.662 1.422 516 2HG1 ILE 984 2HG1 ILE 984 4.645 -9.738 1.182 517 1HG2 ILE 984 1HG2 ILE 984 7.828 -11.570 0.536 518 2HG2 ILE 984 2HG2 ILE 984 6.806 -12.725 1.393 519 3HG2 ILE 984 3HG2 ILE 984 7.053 -12.888 -0.346 520 1HD1 ILE 984 1HD1 ILE 984 6.267 -11.559 2.945 521 2HD1 ILE 984 2HD1 ILE 984 5.235 -10.232 3.481 522 3HD1 ILE 984 3HD1 ILE 984 4.522 -11.645 2.702 523 H GLU 985 H GLU 985 8.307 -11.009 -1.566 524 HA GLU 985 HA GLU 985 9.373 -8.731 -0.262 525 1HB GLU 985 HB1 GLU 985 10.576 -10.847 -2.015 526 2HB GLU 985 HB2 GLU 985 11.524 -9.466 -1.476 527 1HG GLU 985 HG1 GLU 985 10.113 -11.435 0.309 528 2HG GLU 985 HG2 GLU 985 11.845 -11.392 -0.027 529 H MET 986 H MET 986 8.465 -9.358 -3.632 530 HA MET 986 HA MET 986 9.916 -7.197 -4.685 531 1HB MET 986 HB1 MET 986 8.760 -7.412 -6.689 532 2HB MET 986 HB2 MET 986 8.764 -9.032 -6.019 533 1HG MET 986 HG1 MET 986 6.484 -8.858 -5.385 534 2HG MET 986 HG2 MET 986 6.453 -7.137 -5.760 535 1HE MET 986 HE1 MET 986 8.192 -7.168 -8.469 536 2HE MET 986 HE2 MET 986 6.938 -7.286 -9.705 537 3HE MET 986 HE3 MET 986 6.723 -6.203 -8.328 538 H ALA 987 H ALA 987 6.478 -7.239 -3.707 539 HA ALA 987 HA ALA 987 6.255 -4.418 -4.092 540 1HB ALA 987 HB1 ALA 987 3.948 -4.677 -3.429 541 2HB ALA 987 HB2 ALA 987 4.389 -5.913 -4.608 542 3HB ALA 987 HB3 ALA 987 4.264 -6.332 -2.900 543 H GLN 988 H GLN 988 6.642 -6.596 -1.338 544 HA GLN 988 HA GLN 988 5.834 -4.879 0.695 545 1HB GLN 988 HB1 GLN 988 6.345 -7.244 1.071 546 2HB GLN 988 HB2 GLN 988 8.040 -6.962 0.733 547 1HG GLN 988 HG1 GLN 988 6.729 -5.525 2.992 548 2HG GLN 988 HG2 GLN 988 7.185 -7.215 3.179 549 1HE2 GLN 988 2HE2 GLN 988 9.439 -7.771 2.919 550 2HE2 GLN 988 1HE2 GLN 988 10.648 -6.585 3.267 551 H LYS 989 H LYS 989 9.114 -5.324 -0.631 552 HA LYS 989 HA LYS 989 10.205 -3.169 0.908 553 1HB LYS 989 HB1 LYS 989 11.284 -4.735 -1.439 554 2HB LYS 989 HB2 LYS 989 12.191 -3.459 -0.637 555 1HG LYS 989 HG1 LYS 989 11.978 -4.726 1.490 556 2HG LYS 989 HG2 LYS 989 11.223 -6.035 0.581 557 1HD LYS 989 HD1 LYS 989 13.893 -4.976 -0.254 558 2HD LYS 989 HD2 LYS 989 13.778 -6.104 1.094 559 1HE LYS 989 HE1 LYS 989 14.232 -7.340 -0.907 560 2HE LYS 989 HE2 LYS 989 12.584 -7.684 -0.395 561 1HZ LYS 989 HZ1 LYS 989 13.280 -5.702 -2.495 562 2HZ LYS 989 HZ2 LYS 989 12.863 -7.313 -2.815 563 3HZ LYS 989 HZ3 LYS 989 11.736 -6.276 -2.095 564 H LEU 990 H LEU 990 8.622 -3.515 -2.099 565 HA LEU 990 HA LEU 990 9.370 -1.091 -3.333 566 1HB LEU 990 HB1 LEU 990 8.412 -2.778 -4.658 567 2HB LEU 990 HB2 LEU 990 7.080 -3.019 -3.552 568 HG LEU 990 HG LEU 990 6.090 -0.921 -4.258 569 1HD1 LEU 990 1HD1 LEU 990 8.170 0.276 -4.813 570 2HD1 LEU 990 2HD1 LEU 990 8.404 -0.786 -6.201 571 3HD1 LEU 990 3HD1 LEU 990 7.026 0.314 -6.157 572 1HD2 LEU 990 1HD2 LEU 990 5.480 -2.957 -5.411 573 2HD2 LEU 990 2HD2 LEU 990 5.493 -1.601 -6.538 574 3HD2 LEU 990 3HD2 LEU 990 6.827 -2.755 -6.532 575 H LEU 991 H LEU 991 6.505 -2.001 -1.452 576 HA LEU 991 HA LEU 991 5.246 0.432 -1.126 577 1HB LEU 991 HB1 LEU 991 5.593 -1.637 1.039 578 2HB LEU 991 HB2 LEU 991 4.286 -0.480 0.885 579 HG LEU 991 HG LEU 991 4.736 -2.506 -1.265 580 1HD1 LEU 991 1HD1 LEU 991 4.725 -3.759 0.832 581 2HD1 LEU 991 2HD1 LEU 991 3.231 -2.953 1.314 582 3HD1 LEU 991 3HD1 LEU 991 3.240 -4.034 -0.079 583 1HD2 LEU 991 1HD2 LEU 991 3.135 -0.685 -1.619 584 2HD2 LEU 991 2HD2 LEU 991 2.319 -2.246 -1.521 585 3HD2 LEU 991 3HD2 LEU 991 2.284 -1.141 -0.145 586 H ASN 992 H ASN 992 7.660 -1.051 0.989 587 HA ASN 992 HA ASN 992 8.032 0.873 2.901 588 1HB ASN 992 HB1 ASN 992 9.132 -1.365 2.794 589 2HB ASN 992 HB2 ASN 992 10.206 -0.747 1.548 590 1HD2 ASN 992 2HD2 ASN 992 10.772 -1.873 4.166 591 2HD2 ASN 992 1HD2 ASN 992 11.697 -0.684 5.010 592 H SER 993 H SER 993 9.412 0.727 -0.326 593 HA SER 993 HA SER 993 11.152 2.923 -0.079 594 1HB SER 993 HB1 SER 993 9.903 1.713 -2.555 595 2HB SER 993 HB2 SER 993 11.281 2.815 -2.539 596 HG SER 993 HG SER 993 11.152 0.215 -1.376 597 H ASP 994 H ASP 994 7.823 2.700 -1.383 598 HA ASP 994 HA ASP 994 8.052 5.538 -2.042 599 1HB ASP 994 HB1 ASP 994 6.380 3.361 -3.134 600 2HB ASP 994 HB2 ASP 994 5.732 5.000 -3.188 601 H LEU 995 H LEU 995 6.063 3.466 0.075 602 HA LEU 995 HA LEU 995 4.404 5.440 1.050 603 1HB LEU 995 HB1 LEU 995 4.357 3.159 1.936 604 2HB LEU 995 HB2 LEU 995 5.929 3.389 2.680 605 HG LEU 995 HG LEU 995 3.838 3.464 4.163 606 1HD1 LEU 995 1HD1 LEU 995 6.012 4.121 4.996 607 2HD1 LEU 995 2HD1 LEU 995 5.822 5.727 4.290 608 3HD1 LEU 995 3HD1 LEU 995 4.769 5.211 5.610 609 1HD2 LEU 995 1HD2 LEU 995 2.446 4.884 2.820 610 2HD2 LEU 995 2HD2 LEU 995 2.794 5.696 4.345 611 3HD2 LEU 995 3HD2 LEU 995 3.642 6.180 2.880 612 H ALA 996 H ALA 996 7.735 4.830 2.303 613 HA ALA 996 HA ALA 996 8.063 7.162 3.707 614 1HB ALA 996 HB1 ALA 996 9.803 5.498 3.729 615 2HB ALA 996 HB2 ALA 996 10.132 5.772 2.016 616 3HB ALA 996 HB3 ALA 996 10.490 7.037 3.196 617 H GLU 997 H GLU 997 8.422 6.714 0.284 618 HA GLU 997 HA GLU 997 9.405 9.275 -0.364 619 1HB GLU 997 HB1 GLU 997 7.608 7.490 -1.996 620 2HB GLU 997 HB2 GLU 997 8.361 8.965 -2.596 621 1HG GLU 997 HG1 GLU 997 10.137 6.994 -1.343 622 2HG GLU 997 HG2 GLU 997 9.423 6.533 -2.887 623 H LEU 998 H LEU 998 6.098 8.061 -0.038 624 HA LEU 998 HA LEU 998 4.941 10.515 -0.964 625 1HB LEU 998 HB1 LEU 998 3.780 8.400 -1.306 626 2HB LEU 998 HB2 LEU 998 3.674 8.158 0.428 627 HG LEU 998 HG LEU 998 2.162 10.027 0.658 628 1HD1 LEU 998 1HD1 LEU 998 3.119 11.477 -1.051 629 2HD1 LEU 998 2HD1 LEU 998 2.500 10.410 -2.312 630 3HD1 LEU 998 3HD1 LEU 998 1.379 11.291 -1.275 631 1HD2 LEU 998 1HD2 LEU 998 0.264 9.189 -0.625 632 2HD2 LEU 998 2HD2 LEU 998 1.359 8.239 -1.630 633 3HD2 LEU 998 3HD2 LEU 998 1.192 7.868 0.087 634 H ILE 999 H ILE 999 5.680 9.089 2.129 635 HA ILE 999 HA ILE 999 4.369 11.019 3.764 636 HB ILE 999 HB ILE 999 6.873 9.388 4.268 637 1HG1 ILE 999 1HG1 ILE 999 4.839 8.048 3.985 638 2HG1 ILE 999 2HG1 ILE 999 5.414 7.976 5.645 639 1HG2 ILE 999 1HG2 ILE 999 5.275 10.993 6.256 640 2HG2 ILE 999 2HG2 ILE 999 6.625 9.923 6.634 641 3HG2 ILE 999 3HG2 ILE 999 6.894 11.376 5.673 642 1HD1 ILE 999 1HD1 ILE 999 3.012 8.162 5.595 643 2HD1 ILE 999 2HD1 ILE 999 3.715 9.627 6.282 644 3HD1 ILE 999 3HD1 ILE 999 3.120 9.630 4.622 645 H ASN1000 H ASN1000 7.729 10.669 2.914 646 HA ASN1000 HA ASN1000 8.643 13.240 3.352 647 1HB ASN1000 HB1 ASN1000 10.021 11.278 2.961 648 2HB ASN1000 HB2 ASN1000 9.449 11.161 1.309 649 1HD2 ASN1000 2HD2 ASN1000 11.505 11.120 0.633 650 2HD2 ASN1000 1HD2 ASN1000 12.513 12.515 0.567 651 H LYS1001 H LYS1001 6.406 12.286 0.838 652 HA LYS1001 HA LYS1001 6.975 14.667 -0.724 653 1HB LYS1001 HB1 LYS1001 4.682 12.722 -0.988 654 2HB LYS1001 HB2 LYS1001 5.039 14.041 -2.091 655 1HG LYS1001 HG1 LYS1001 6.715 11.602 -1.589 656 2HG LYS1001 HG2 LYS1001 5.774 11.971 -3.029 657 1HD LYS1001 HD1 LYS1001 7.233 13.761 -3.617 658 2HD LYS1001 HD2 LYS1001 8.068 13.668 -2.061 659 1HE LYS1001 HE1 LYS1001 8.912 11.463 -2.609 660 2HE LYS1001 HE2 LYS1001 7.998 11.459 -4.114 661 1HZ LYS1001 HZ1 LYS1001 10.359 11.976 -4.418 662 2HZ LYS1001 HZ2 LYS1001 9.355 13.233 -4.951 663 3HZ LYS1001 HZ3 LYS1001 10.182 13.371 -3.474 664 H MET1002 H MET1002 4.478 13.521 1.521 665 HA MET1002 HA MET1002 2.850 15.817 1.474 666 1HB MET1002 HB1 MET1002 1.798 14.953 3.375 667 2HB MET1002 HB2 MET1002 2.452 13.496 2.645 668 1HG MET1002 HG1 MET1002 4.447 13.821 4.205 669 2HG MET1002 HG2 MET1002 3.442 14.989 5.054 670 1HE MET1002 HE1 MET1002 4.734 12.539 6.547 671 2HE MET1002 HE2 MET1002 3.654 13.693 7.330 672 3HE MET1002 HE3 MET1002 3.369 11.961 7.503 673 H LYS1003 H LYS1003 5.731 14.826 3.107 674 HA LYS1003 HA LYS1003 6.085 17.201 4.598 675 1HB LYS1003 HB1 LYS1003 7.273 15.198 5.242 676 2HB LYS1003 HB2 LYS1003 8.011 15.064 3.651 677 1HG LYS1003 HG1 LYS1003 9.179 17.194 4.069 678 2HG LYS1003 HG2 LYS1003 8.518 17.198 5.703 679 1HD LYS1003 HD1 LYS1003 10.298 15.059 4.529 680 2HD LYS1003 HD2 LYS1003 10.821 16.325 5.641 681 1HE LYS1003 HE1 LYS1003 9.287 15.446 7.341 682 2HE LYS1003 HE2 LYS1003 8.783 14.177 6.224 683 1HZ LYS1003 HZ1 LYS1003 11.025 13.317 6.214 684 2HZ LYS1003 HZ2 LYS1003 11.550 14.567 7.235 685 3HZ LYS1003 HZ3 LYS1003 10.457 13.407 7.810 686 H LEU1004 H LEU1004 7.564 15.964 1.615 687 HA LEU1004 HA LEU1004 9.239 18.027 1.001 688 1HB LEU1004 HB1 LEU1004 8.711 15.797 -0.259 689 2HB LEU1004 HB2 LEU1004 7.629 16.806 -1.193 690 HG LEU1004 HG LEU1004 10.616 17.218 -0.954 691 1HD1 LEU1004 1HD1 LEU1004 8.946 16.135 -3.214 692 2HD1 LEU1004 2HD1 LEU1004 10.676 16.475 -3.284 693 3HD1 LEU1004 3HD1 LEU1004 10.066 15.218 -2.208 694 1HD2 LEU1004 1HD2 LEU1004 8.597 18.603 -2.724 695 2HD2 LEU1004 2HD2 LEU1004 9.411 19.321 -1.333 696 3HD2 LEU1004 3HD2 LEU1004 10.344 18.844 -2.754 697 H ALA1005 H ALA1005 5.916 17.722 -0.244 698 HA ALA1005 HA ALA1005 5.954 20.135 -1.666 699 1HB ALA1005 HB1 ALA1005 3.517 19.909 -1.754 700 2HB ALA1005 HB2 ALA1005 4.319 18.374 -2.085 701 3HB ALA1005 HB3 ALA1005 3.589 18.665 -0.506 702 H GLN1006 H GLN1006 4.756 19.361 1.564 703 HA GLN1006 HA GLN1006 3.889 22.056 2.064 704 1HB GLN1006 HB1 GLN1006 4.098 19.700 3.952 705 2HB GLN1006 HB2 GLN1006 3.131 21.167 4.193 706 1HG GLN1006 HG1 GLN1006 2.769 19.011 2.164 707 2HG GLN1006 HG2 GLN1006 1.687 19.448 3.489 708 1HE2 GLN1006 2HE2 GLN1006 2.665 20.159 0.272 709 2HE2 GLN1006 1HE2 GLN1006 1.512 21.406 -0.042 710 H GLN1007 H GLN1007 6.761 20.295 2.387 711 HA GLN1007 HA GLN1007 7.922 21.985 4.397 712 1HB GLN1007 HB1 GLN1007 8.388 19.446 3.696 713 2HB GLN1007 HB2 GLN1007 9.559 20.227 2.651 714 1HG GLN1007 HG1 GLN1007 10.544 19.450 4.734 715 2HG GLN1007 HG2 GLN1007 10.661 21.211 4.578 716 1HE2 GLN1007 2HE2 GLN1007 7.674 19.613 5.330 717 2HE2 GLN1007 1HE2 GLN1007 7.569 20.137 6.980 718 H TYR1008 H TYR1008 8.030 21.646 0.961 719 HA TYR1008 HA TYR1008 10.190 23.530 0.631 720 1HB TYR1008 HB1 TYR1008 9.847 21.489 -0.775 721 2HB TYR1008 HB2 TYR1008 8.386 22.221 -1.417 722 HD1 TYR1008 HD1 TYR1008 8.700 22.729 -3.602 723 HD2 TYR1008 HD2 TYR1008 11.837 23.555 -0.854 724 HE1 TYR1008 HE1 TYR1008 10.021 23.733 -5.426 725 HE2 TYR1008 HE2 TYR1008 13.167 24.580 -2.655 726 HH TYR1008 HH TYR1008 11.847 25.346 -5.714 727 H VAL1009 H VAL1009 6.900 23.685 1.147 728 HA VAL1009 HA VAL1009 5.666 25.493 -0.364 729 HB VAL1009 HB VAL1009 5.714 25.439 2.652 730 1HG1 VAL1009 1HG1 VAL1009 3.672 26.789 2.611 731 2HG1 VAL1009 2HG1 VAL1009 5.031 27.682 1.929 732 3HG1 VAL1009 3HG1 VAL1009 3.820 26.970 0.862 733 1HG2 VAL1009 1HG2 VAL1009 3.541 24.363 2.379 734 2HG2 VAL1009 2HG2 VAL1009 3.706 24.468 0.626 735 3HG2 VAL1009 3HG2 VAL1009 4.816 23.463 1.558 736 H MET1010 H MET1010 6.491 27.143 -1.379 737 HA MET1010 HA MET1010 7.932 29.215 0.123 738 1HB MET1010 HB1 MET1010 8.990 28.526 -1.956 739 2HB MET1010 HB2 MET1010 7.505 28.819 -2.848 740 1HG MET1010 HG1 MET1010 7.704 31.221 -2.323 741 2HG MET1010 HG2 MET1010 9.240 30.890 -1.520 742 1HE MET1010 HE1 MET1010 10.318 32.775 -3.146 743 2HE MET1010 HE2 MET1010 10.195 32.706 -4.904 744 3HE MET1010 HE3 MET1010 8.752 32.983 -3.927 745 H THR1011 H THR1011 5.703 29.450 -2.618 746 HA THR1011 HA THR1011 3.424 30.271 -1.279 747 HB THR1011 HB THR1011 4.673 32.260 -0.581 748 HG1 THR1011 HG1 THR1011 3.050 33.459 -2.471 749 1HG2 THR1011 1HG2 THR1011 5.008 32.820 -3.532 750 2HG2 THR1011 2HG2 THR1011 5.424 33.928 -2.223 751 3HG2 THR1011 3HG2 THR1011 6.293 32.402 -2.400 752 H SER1012 H SER1012 1.839 29.926 -2.666 753 HA SER1012 HA SER1012 0.607 29.728 -4.559 754 1HB SER1012 HB1 SER1012 2.751 31.411 -5.875 755 2HB SER1012 HB2 SER1012 1.171 31.036 -6.559 756 HG SER1012 HG SER1012 0.451 32.008 -4.381 757 H LEU1013 H LEU1013 4.060 29.421 -5.274 758 HA LEU1013 HA LEU1013 3.810 27.567 -7.384 759 1HB LEU1013 HB1 LEU1013 6.136 28.121 -5.545 760 2HB LEU1013 HB2 LEU1013 6.227 27.183 -7.024 761 HG LEU1013 HG LEU1013 5.496 30.109 -6.870 762 1HD1 LEU1013 1HD1 LEU1013 7.689 30.488 -7.885 763 2HD1 LEU1013 2HD1 LEU1013 7.835 29.726 -6.301 764 3HD1 LEU1013 3HD1 LEU1013 8.043 28.765 -7.767 765 1HD2 LEU1013 1HD2 LEU1013 5.731 30.046 -9.308 766 2HD2 LEU1013 2HD2 LEU1013 5.991 28.303 -9.233 767 3HD2 LEU1013 3HD2 LEU1013 4.438 28.984 -8.749 768 H GLN1014 H GLN1014 3.098 27.122 -4.195 769 HA GLN1014 HA GLN1014 4.294 24.768 -3.376 770 1HB GLN1014 HB1 GLN1014 2.668 26.342 -2.130 771 2HB GLN1014 HB2 GLN1014 1.392 25.386 -2.862 772 1HG GLN1014 HG1 GLN1014 3.546 24.172 -1.166 773 2HG GLN1014 HG2 GLN1014 2.031 24.787 -0.505 774 1HE2 GLN1014 2HE2 GLN1014 3.550 22.327 -2.387 775 2HE2 GLN1014 1HE2 GLN1014 2.147 21.335 -2.599 776 H GLN1015 H GLN1015 1.434 25.227 -5.395 777 HA GLN1015 HA GLN1015 0.426 22.675 -5.567 778 1HB GLN1015 HB1 GLN1015 -0.596 24.692 -6.497 779 2HB GLN1015 HB2 GLN1015 0.671 24.767 -7.698 780 1HG GLN1015 HG1 GLN1015 -1.251 23.927 -8.776 781 2HG GLN1015 HG2 GLN1015 -0.148 22.568 -8.570 782 1HE2 GLN1015 2HE2 GLN1015 -3.056 24.097 -7.377 783 2HE2 GLN1015 1HE2 GLN1015 -3.713 22.687 -6.609 784 H GLU1016 H GLU1016 3.100 24.077 -7.426 785 HA GLU1016 HA GLU1016 3.784 21.981 -9.090 786 1HB GLU1016 HB1 GLU1016 4.876 24.149 -9.132 787 2HB GLU1016 HB2 GLU1016 5.546 23.872 -7.531 788 1HG GLU1016 HG1 GLU1016 7.343 23.310 -8.713 789 2HG GLU1016 HG2 GLU1016 6.548 21.749 -8.774 790 H TYR1017 H TYR1017 5.251 22.657 -5.968 791 HA TYR1017 HA TYR1017 6.637 20.332 -5.516 792 1HB TYR1017 HB1 TYR1017 5.145 21.417 -3.146 793 2HB TYR1017 HB2 TYR1017 6.811 20.887 -3.265 794 HD1 TYR1017 HD1 TYR1017 6.966 22.876 -5.894 795 HD2 TYR1017 HD2 TYR1017 6.101 23.251 -1.721 796 HE1 TYR1017 HE1 TYR1017 7.650 25.224 -5.976 797 HE2 TYR1017 HE2 TYR1017 6.768 25.614 -1.827 798 HH TYR1017 HH TYR1017 8.317 27.034 -3.301 799 H LYS1018 H LYS1018 3.253 21.005 -4.890 800 HA LYS1018 HA LYS1018 2.459 18.570 -3.831 801 1HB LYS1018 HB1 LYS1018 1.063 20.538 -3.791 802 2HB LYS1018 HB2 LYS1018 0.928 20.525 -5.541 803 1HG LYS1018 HG1 LYS1018 -0.348 18.476 -5.465 804 2HG LYS1018 HG2 LYS1018 -0.133 18.379 -3.716 805 1HD LYS1018 HD1 LYS1018 -1.410 20.383 -3.388 806 2HD LYS1018 HD2 LYS1018 -1.494 20.668 -5.126 807 1HE LYS1018 HE1 LYS1018 -2.832 18.662 -5.413 808 2HE LYS1018 HE2 LYS1018 -2.697 18.302 -3.690 809 1HZ LYS1018 HZ1 LYS1018 -3.997 20.715 -4.843 810 2HZ LYS1018 HZ2 LYS1018 -4.814 19.354 -4.254 811 3HZ LYS1018 HZ3 LYS1018 -3.909 20.323 -3.196 812 H LYS1019 H LYS1019 2.997 19.376 -7.242 813 HA LYS1019 HA LYS1019 1.688 17.177 -8.416 814 1HB LYS1019 HB1 LYS1019 4.331 18.338 -9.323 815 2HB LYS1019 HB2 LYS1019 3.196 17.426 -10.300 816 1HG LYS1019 HG1 LYS1019 1.618 19.241 -10.249 817 2HG LYS1019 HG2 LYS1019 2.642 20.143 -9.124 818 1HD LYS1019 HD1 LYS1019 4.449 20.113 -10.826 819 2HD LYS1019 HD2 LYS1019 3.329 19.349 -11.953 820 1HE LYS1019 HE1 LYS1019 1.901 21.285 -11.918 821 2HE LYS1019 HE2 LYS1019 2.882 22.033 -10.656 822 1HZ LYS1019 HZ1 LYS1019 4.760 22.048 -12.207 823 2HZ LYS1019 HZ2 LYS1019 3.763 21.413 -13.422 824 3HZ LYS1019 HZ3 LYS1019 3.451 22.959 -12.798 825 H GLN1020 H GLN1020 5.008 17.591 -7.341 826 HA GLN1020 HA GLN1020 6.062 15.081 -7.768 827 1HB GLN1020 HB1 GLN1020 6.620 16.656 -5.256 828 2HB GLN1020 HB2 GLN1020 7.710 15.590 -6.128 829 1HG GLN1020 HG1 GLN1020 6.707 18.272 -7.043 830 2HG GLN1020 HG2 GLN1020 8.330 17.888 -6.477 831 1HE2 GLN1020 2HE2 GLN1020 7.429 19.006 -9.001 832 2HE2 GLN1020 1HE2 GLN1020 8.034 17.956 -10.237 833 H MET1021 H MET1021 4.169 16.219 -5.030 834 HA MET1021 HA MET1021 4.278 13.858 -3.493 835 1HB MET1021 HB1 MET1021 3.667 16.035 -2.553 836 2HB MET1021 HB2 MET1021 2.221 16.080 -3.547 837 1HG MET1021 HG1 MET1021 2.669 13.896 -1.547 838 2HG MET1021 HG2 MET1021 1.995 15.453 -1.075 839 1HE MET1021 HE1 MET1021 0.323 16.144 -3.765 840 2HE MET1021 HE2 MET1021 -1.270 15.548 -3.299 841 3HE MET1021 HE3 MET1021 -0.287 16.436 -2.136 842 H LEU1022 H LEU1022 1.876 15.071 -5.815 843 HA LEU1022 HA LEU1022 0.020 12.983 -5.400 844 1HB LEU1022 HB1 LEU1022 -0.533 15.179 -6.384 845 2HB LEU1022 HB2 LEU1022 0.354 14.737 -7.830 846 HG LEU1022 HG LEU1022 -1.237 12.883 -8.217 847 1HD1 LEU1022 1HD1 LEU1022 -1.914 12.486 -5.910 848 2HD1 LEU1022 2HD1 LEU1022 -2.712 14.057 -5.864 849 3HD1 LEU1022 3HD1 LEU1022 -3.316 12.793 -6.935 850 1HD2 LEU1022 1HD2 LEU1022 -2.518 15.592 -7.897 851 2HD2 LEU1022 2HD2 LEU1022 -1.583 15.046 -9.288 852 3HD2 LEU1022 3HD2 LEU1022 -3.121 14.274 -8.900 853 H THR1023 H THR1023 2.749 13.326 -7.570 854 HA THR1023 HA THR1023 2.170 11.071 -9.198 855 HB THR1023 HB THR1023 4.884 12.276 -8.597 856 HG1 THR1023 HG1 THR1023 3.277 13.801 -9.411 857 1HG2 THR1023 1HG2 THR1023 5.505 11.390 -10.787 858 2HG2 THR1023 2HG2 THR1023 4.966 10.094 -9.720 859 3HG2 THR1023 3HG2 THR1023 3.892 10.705 -10.979 860 H ALA1024 H ALA1024 4.272 11.562 -6.415 861 HA ALA1024 HA ALA1024 5.131 8.892 -6.120 862 1HB ALA1024 HB1 ALA1024 5.837 9.515 -3.882 863 2HB ALA1024 HB2 ALA1024 6.267 10.765 -5.049 864 3HB ALA1024 HB3 ALA1024 4.884 10.996 -3.978 865 H ALA1025 H ALA1025 2.331 10.602 -4.838 866 HA ALA1025 HA ALA1025 1.367 8.600 -3.127 867 1HB ALA1025 HB1 ALA1025 -0.218 10.581 -4.772 868 2HB ALA1025 HB2 ALA1025 -0.823 9.669 -3.388 869 3HB ALA1025 HB3 ALA1025 0.448 10.871 -3.165 870 H HIS1026 H HIS1026 0.896 9.143 -6.578 871 HA HIS1026 HA HIS1026 -0.890 6.974 -6.942 872 1HB HIS1026 HB1 HIS1026 -0.708 8.891 -8.513 873 2HB HIS1026 HB2 HIS1026 0.891 8.327 -8.984 874 HD1 HIS1026 HD1 HIS1026 -2.754 7.513 -9.334 875 HD2 HIS1026 HD2 HIS1026 0.917 6.203 -10.789 876 HE1 HIS1026 HE1 HIS1026 -3.291 5.965 -11.243 877 HE2 HIS1026 HE2 HIS1026 -1.058 5.311 -12.207 878 H ALA1027 H ALA1027 2.583 7.321 -7.025 879 HA ALA1027 HA ALA1027 3.209 4.798 -8.101 880 1HB ALA1027 HB1 ALA1027 4.864 6.575 -7.892 881 2HB ALA1027 HB2 ALA1027 4.782 6.457 -6.133 882 3HB ALA1027 HB3 ALA1027 5.408 5.108 -7.081 883 H LEU1028 H LEU1028 2.834 5.906 -4.750 884 HA LEU1028 HA LEU1028 3.256 3.451 -3.469 885 1HB LEU1028 HB1 LEU1028 3.019 5.738 -2.386 886 2HB LEU1028 HB2 LEU1028 1.288 5.548 -2.579 887 HG LEU1028 HG LEU1028 1.248 3.635 -1.097 888 1HD1 LEU1028 1HD1 LEU1028 4.238 3.919 -0.990 889 2HD1 LEU1028 2HD1 LEU1028 3.270 2.845 0.020 890 3HD1 LEU1028 3HD1 LEU1028 3.329 2.599 -1.725 891 1HD2 LEU1028 1HD2 LEU1028 1.166 5.864 -0.100 892 2HD2 LEU1028 2HD2 LEU1028 1.934 4.692 0.971 893 3HD2 LEU1028 3HD2 LEU1028 2.921 5.847 0.073 894 H ALA1029 H ALA1029 0.218 4.987 -4.420 895 HA ALA1029 HA ALA1029 -1.517 2.952 -3.956 896 1HB ALA1029 HB1 ALA1029 -2.179 5.172 -4.757 897 2HB ALA1029 HB2 ALA1029 -1.592 4.759 -6.369 898 3HB ALA1029 HB3 ALA1029 -2.958 3.884 -5.677 899 H VAL1030 H VAL1030 0.700 3.172 -6.740 900 HA VAL1030 HA VAL1030 -0.258 0.782 -7.967 901 HB VAL1030 HB VAL1030 2.454 2.092 -8.233 902 1HG1 VAL1030 1HG1 VAL1030 2.573 -0.238 -8.894 903 2HG1 VAL1030 2HG1 VAL1030 1.148 -0.047 -9.916 904 3HG1 VAL1030 3HG1 VAL1030 2.644 0.793 -10.323 905 1HG2 VAL1030 1HG2 VAL1030 1.579 2.984 -10.337 906 2HG2 VAL1030 2HG2 VAL1030 0.009 2.256 -9.994 907 3HG2 VAL1030 3HG2 VAL1030 0.631 3.542 -8.958 908 H ASP1031 H ASP1031 2.360 1.469 -5.729 909 HA ASP1031 HA ASP1031 3.330 -1.123 -5.365 910 1HB ASP1031 HB1 ASP1031 3.000 1.015 -3.245 911 2HB ASP1031 HB2 ASP1031 4.036 -0.400 -3.116 912 H ALA1032 H ALA1032 0.778 0.533 -3.497 913 HA ALA1032 HA ALA1032 -0.354 -1.550 -2.145 914 1HB ALA1032 HB1 ALA1032 -1.838 0.636 -3.596 915 2HB ALA1032 HB2 ALA1032 -2.464 -0.345 -2.270 916 3HB ALA1032 HB3 ALA1032 -1.120 0.763 -1.990 917 H LYS1033 H LYS1033 -0.651 -0.864 -5.596 918 HA LYS1033 HA LYS1033 -2.830 -2.724 -5.941 919 1HB LYS1033 HB1 LYS1033 -2.488 -0.814 -7.517 920 2HB LYS1033 HB2 LYS1033 -1.017 -1.598 -8.089 921 1HG LYS1033 HG1 LYS1033 -2.551 -3.623 -8.540 922 2HG LYS1033 HG2 LYS1033 -3.862 -2.452 -8.427 923 1HD LYS1033 HD1 LYS1033 -2.918 -1.163 -10.238 924 2HD LYS1033 HD2 LYS1033 -1.511 -2.229 -10.302 925 1HE LYS1033 HE1 LYS1033 -4.372 -2.945 -10.928 926 2HE LYS1033 HE2 LYS1033 -3.030 -2.841 -12.065 927 1HZ LYS1033 HZ1 LYS1033 -1.962 -4.690 -10.859 928 2HZ LYS1033 HZ2 LYS1033 -3.330 -4.819 -9.865 929 3HZ LYS1033 HZ3 LYS1033 -3.463 -5.130 -11.521 930 H ASN1034 H ASN1034 0.663 -2.748 -6.211 931 HA ASN1034 HA ASN1034 0.818 -5.285 -7.483 932 1HB ASN1034 HB1 ASN1034 2.639 -3.527 -7.474 933 2HB ASN1034 HB2 ASN1034 2.983 -4.006 -5.812 934 1HD2 ASN1034 2HD2 ASN1034 5.051 -4.719 -6.363 935 2HD2 ASN1034 1HD2 ASN1034 5.311 -6.178 -7.247 936 H LEU1035 H LEU1035 1.386 -4.266 -4.091 937 HA LEU1035 HA LEU1035 1.747 -6.942 -3.153 938 1HB LEU1035 HB1 LEU1035 2.512 -4.985 -1.819 939 2HB LEU1035 HB2 LEU1035 0.828 -4.550 -1.532 940 HG LEU1035 HG LEU1035 0.637 -6.942 -0.529 941 1HD1 LEU1035 1HD1 LEU1035 2.788 -7.752 -1.311 942 2HD1 LEU1035 2HD1 LEU1035 3.613 -6.503 -0.377 943 3HD1 LEU1035 3HD1 LEU1035 2.714 -7.775 0.452 944 1HD2 LEU1035 1HD2 LEU1035 2.201 -4.804 0.905 945 2HD2 LEU1035 2HD2 LEU1035 0.445 -4.880 0.765 946 3HD2 LEU1035 3HD2 LEU1035 1.312 -6.129 1.658 947 H LEU1036 H LEU1036 -1.042 -4.950 -3.701 948 HA LEU1036 HA LEU1036 -3.067 -6.301 -2.428 949 1HB LEU1036 HB1 LEU1036 -3.441 -4.263 -3.727 950 2HB LEU1036 HB2 LEU1036 -3.068 -5.118 -5.212 951 HG LEU1036 HG LEU1036 -5.084 -6.560 -4.793 952 1HD1 LEU1036 1HD1 LEU1036 -5.612 -4.506 -2.654 953 2HD1 LEU1036 2HD1 LEU1036 -6.772 -5.702 -3.235 954 3HD1 LEU1036 3HD1 LEU1036 -5.304 -6.225 -2.406 955 1HD2 LEU1036 1HD2 LEU1036 -5.573 -3.596 -5.043 956 2HD2 LEU1036 2HD2 LEU1036 -5.112 -4.677 -6.358 957 3HD2 LEU1036 3HD2 LEU1036 -6.669 -4.878 -5.555 958 H ASP1037 H ASP1037 -1.476 -7.019 -5.482 959 HA ASP1037 HA ASP1037 -3.006 -9.480 -5.793 960 1HB ASP1037 HB1 ASP1037 -2.522 -7.902 -7.711 961 2HB ASP1037 HB2 ASP1037 -0.834 -8.391 -7.591 962 H VAL1038 H VAL1038 0.153 -8.379 -4.876 963 HA VAL1038 HA VAL1038 1.701 -10.691 -5.070 964 HB VAL1038 HB VAL1038 1.746 -8.415 -3.105 965 1HG1 VAL1038 1HG1 VAL1038 3.759 -10.639 -3.307 966 2HG1 VAL1038 2HG1 VAL1038 3.899 -9.193 -2.308 967 3HG1 VAL1038 3HG1 VAL1038 2.638 -10.378 -1.969 968 1HG2 VAL1038 1HG2 VAL1038 3.565 -9.187 -5.381 969 2HG2 VAL1038 2HG2 VAL1038 2.382 -7.878 -5.391 970 3HG2 VAL1038 3HG2 VAL1038 3.784 -7.794 -4.323 971 H ILE1039 H ILE1039 -0.080 -9.552 -2.183 972 HA ILE1039 HA ILE1039 0.334 -12.141 -0.941 973 HB ILE1039 HB ILE1039 -0.793 -11.148 1.036 974 1HG1 ILE1039 1HG1 ILE1039 -0.743 -8.675 -0.694 975 2HG1 ILE1039 2HG1 ILE1039 -2.152 -9.432 0.049 976 1HG2 ILE1039 1HG2 ILE1039 1.126 -9.721 1.614 977 2HG2 ILE1039 2HG2 ILE1039 1.619 -11.216 0.817 978 3HG2 ILE1039 3HG2 ILE1039 1.603 -9.701 -0.084 979 1HD1 ILE1039 1HD1 ILE1039 -1.482 -7.421 1.237 980 2HD1 ILE1039 2HD1 ILE1039 -1.311 -8.852 2.252 981 3HD1 ILE1039 3HD1 ILE1039 0.115 -8.113 1.523 982 H ASP1040 H ASP1040 -2.471 -10.250 -2.166 983 HA ASP1040 HA ASP1040 -4.433 -12.085 -2.184 984 1HB ASP1040 HB1 ASP1040 -4.603 -10.185 -3.669 985 2HB ASP1040 HB2 ASP1040 -3.241 -10.741 -4.624 986 H GLN1041 H GLN1041 -1.536 -12.289 -4.185 987 HA GLN1041 HA GLN1041 -2.018 -15.011 -4.963 988 1HB GLN1041 HB1 GLN1041 -0.743 -13.363 -6.367 989 2HB GLN1041 HB2 GLN1041 0.545 -13.442 -5.176 990 1HG GLN1041 HG1 GLN1041 0.771 -15.852 -5.621 991 2HG GLN1041 HG2 GLN1041 -0.448 -15.700 -6.887 992 1HE2 GLN1041 2HE2 GLN1041 2.801 -14.927 -5.937 993 2HE2 GLN1041 1HE2 GLN1041 3.364 -14.445 -7.498 994 H ALA1042 H ALA1042 -0.310 -13.400 -2.352 995 HA ALA1042 HA ALA1042 1.340 -15.459 -1.530 996 1HB ALA1042 HB1 ALA1042 1.185 -14.580 0.725 997 2HB ALA1042 HB2 ALA1042 1.289 -13.264 -0.445 998 3HB ALA1042 HB3 ALA1042 -0.262 -13.671 0.290 999 H ARG1043 H ARG1043 -2.077 -14.978 -0.583 1000 HA ARG1043 HA ARG1043 -2.156 -17.552 0.642 1001 1HB ARG1043 HB1 ARG1043 -4.530 -15.873 -0.158 1002 2HB ARG1043 HB2 ARG1043 -4.422 -17.033 1.165 1003 1HG ARG1043 HG1 ARG1043 -3.053 -14.375 0.949 1004 2HG ARG1043 HG2 ARG1043 -4.308 -14.856 2.089 1005 1HD ARG1043 HD1 ARG1043 -1.685 -16.290 1.963 1006 2HD ARG1043 HD2 ARG1043 -1.861 -14.790 2.875 1007 HE ARG1043 HE ARG1043 -3.687 -17.013 3.445 1008 1HH1 ARG1043 2HH1 ARG1043 -1.120 -14.880 4.471 1009 2HH1 ARG1043 1HH1 ARG1043 -1.194 -15.373 6.132 1010 1HH2 ARG1043 2HH2 ARG1043 -3.786 -17.674 5.649 1011 2HH2 ARG1043 1HH2 ARG1043 -2.699 -16.946 6.796 1012 H LEU1044 H LEU1044 -2.708 -16.370 -2.557 1013 HA LEU1044 HA LEU1044 -4.082 -18.723 -3.488 1014 1HB LEU1044 HB1 LEU1044 -4.329 -16.513 -4.560 1015 2HB LEU1044 HB2 LEU1044 -2.645 -16.565 -5.035 1016 HG LEU1044 HG LEU1044 -3.137 -18.556 -6.438 1017 1HD1 LEU1044 1HD1 LEU1044 -5.080 -19.379 -5.217 1018 2HD1 LEU1044 2HD1 LEU1044 -5.997 -17.950 -5.700 1019 3HD1 LEU1044 3HD1 LEU1044 -5.468 -19.110 -6.918 1020 1HD2 LEU1044 1HD2 LEU1044 -4.318 -17.321 -8.191 1021 2HD2 LEU1044 2HD2 LEU1044 -4.799 -16.105 -7.007 1022 3HD2 LEU1044 3HD2 LEU1044 -3.095 -16.322 -7.406 1023 H LYS1045 H LYS1045 -0.790 -17.641 -3.219 1024 HA LYS1045 HA LYS1045 0.436 -19.695 -4.757 1025 1HB LYS1045 HB1 LYS1045 2.494 -18.867 -3.966 1026 2HB LYS1045 HB2 LYS1045 1.468 -17.448 -4.054 1027 1HG LYS1045 HG1 LYS1045 2.681 -17.215 -2.106 1028 2HG LYS1045 HG2 LYS1045 1.085 -17.790 -1.588 1029 1HD LYS1045 HD1 LYS1045 2.147 -20.132 -1.892 1030 2HD LYS1045 HD2 LYS1045 3.668 -19.253 -1.727 1031 1HE LYS1045 HE1 LYS1045 2.986 -18.407 0.426 1032 2HE LYS1045 HE2 LYS1045 1.415 -19.189 0.260 1033 1HZ LYS1045 HZ1 LYS1045 3.017 -20.431 1.645 1034 2HZ LYS1045 HZ2 LYS1045 2.439 -21.322 0.330 1035 3HZ LYS1045 HZ3 LYS1045 3.990 -20.649 0.281 1036 H MET1046 H MET1046 -0.784 -19.348 -1.605 1037 HA MET1046 HA MET1046 0.456 -21.729 -0.650 1038 1HB MET1046 HB1 MET1046 -0.270 -20.100 0.961 1039 2HB MET1046 HB2 MET1046 -1.910 -20.170 0.360 1040 1HG MET1046 HG1 MET1046 -2.138 -22.447 1.187 1041 2HG MET1046 HG2 MET1046 -0.461 -22.417 1.733 1042 1HE MET1046 HE1 MET1046 -3.858 -19.875 3.564 1043 2HE MET1046 HE2 MET1046 -3.209 -19.560 1.956 1044 3HE MET1046 HE3 MET1046 -4.088 -21.055 2.274 1045 H ILE1047 H ILE1047 -2.481 -20.921 -2.345 1046 HA ILE1047 HA ILE1047 -3.551 -23.557 -2.461 1047 HB ILE1047 HB ILE1047 -3.838 -21.337 -4.496 1048 1HG1 ILE1047 1HG1 ILE1047 -4.528 -20.578 -2.288 1049 2HG1 ILE1047 2HG1 ILE1047 -5.932 -20.781 -3.330 1050 1HG2 ILE1047 1HG2 ILE1047 -5.893 -22.468 -5.153 1051 2HG2 ILE1047 2HG2 ILE1047 -4.493 -23.522 -5.352 1052 3HG2 ILE1047 3HG2 ILE1047 -5.575 -23.744 -3.977 1053 1HD1 ILE1047 1HD1 ILE1047 -5.023 -22.697 -1.192 1054 2HD1 ILE1047 2HD1 ILE1047 -6.388 -21.587 -1.093 1055 3HD1 ILE1047 3HD1 ILE1047 -6.418 -22.920 -2.247 1056 H SER1048 H SER1048 -1.183 -21.717 -4.280 1057 HA SER1048 HA SER1048 -0.569 -23.493 -6.322 1058 1HB SER1048 HB1 SER1048 1.167 -21.551 -4.765 1059 2HB SER1048 HB2 SER1048 1.768 -22.472 -6.152 1060 HG SER1048 HG SER1048 0.737 -21.181 -7.447 1061 H GLN1049 H GLN1049 0.104 -23.721 -2.917 1062 HA GLN1049 HA GLN1049 2.060 -25.779 -3.062 1063 1HB GLN1049 HB1 GLN1049 0.061 -25.196 -0.869 1064 2HB GLN1049 HB2 GLN1049 1.470 -26.234 -0.720 1065 1HG GLN1049 HG1 GLN1049 2.941 -24.350 -1.023 1066 2HG GLN1049 HG2 GLN1049 1.561 -23.286 -1.307 1067 1HE2 GLN1049 2HE2 GLN1049 1.583 -25.849 1.068 1068 2HE2 GLN1049 1HE2 GLN1049 1.537 -24.817 2.459 1069 H SER1050 H SER1050 -1.430 -25.803 -2.420 1070 HA SER1050 HA SER1050 -1.752 -28.600 -2.451 1071 1HB SER1050 HB1 SER1050 -3.850 -26.567 -3.223 1072 2HB SER1050 HB2 SER1050 -4.101 -28.155 -2.496 1073 HG SER1050 HG SER1050 -2.898 -27.310 -0.645 1074 H ARG1051 H ARG1051 -2.652 -26.214 -4.907 1075 HA ARG1051 HA ARG1051 -2.452 -26.167 -7.135 1076 1HB ARG1051 HB1 ARG1051 -1.381 -28.964 -6.931 1077 2HB ARG1051 HB2 ARG1051 -1.654 -28.149 -8.464 1078 1HG ARG1051 HG1 ARG1051 -0.119 -26.350 -7.736 1079 2HG ARG1051 HG2 ARG1051 0.212 -27.277 -6.269 1080 1HD ARG1051 HD1 ARG1051 1.919 -27.601 -8.030 1081 2HD ARG1051 HD2 ARG1051 1.108 -29.097 -7.565 1082 HE ARG1051 HE ARG1051 0.326 -27.570 -9.968 1083 1HH1 ARG1051 2HH1 ARG1051 1.352 -30.536 -8.424 1084 2HH1 ARG1051 1HH1 ARG1051 0.971 -31.540 -9.791 1085 1HH2 ARG1051 2HH2 ARG1051 -0.184 -28.868 -11.776 1086 2HH2 ARG1051 1HH2 ARG1051 0.065 -30.591 -11.697 1087 HA PRO1052 HA PRO1052 -5.803 -28.783 -8.838 1088 1HB PRO1052 HB1 PRO1052 -6.008 -31.477 -7.878 1089 2HB PRO1052 HB2 PRO1052 -5.465 -30.922 -9.463 1090 1HG PRO1052 HG1 PRO1052 -3.843 -32.139 -7.603 1091 2HG PRO1052 HG2 PRO1052 -3.265 -31.068 -8.891 1092 1HD PRO1052 HD1 PRO1052 -3.778 -30.460 -6.003 1093 2HD PRO1052 HD2 PRO1052 -2.443 -29.927 -7.049 1094 H HIS1053 H HIS1053 -7.216 -27.504 -7.686 1095 HA HIS1053 HA HIS1053 -9.149 -28.963 -6.154 1096 1HB HIS1053 HB1 HIS1053 -7.358 -28.202 -4.472 1097 2HB HIS1053 HB2 HIS1053 -7.928 -26.565 -4.782 1098 HD1 HIS1053 HD1 HIS1053 -8.885 -29.770 -3.123 1099 HD2 HIS1053 HD2 HIS1053 -10.457 -25.960 -3.693 1100 HE1 HIS1053 HE1 HIS1053 -10.832 -29.591 -1.542 1101 HE2 HIS1053 HE2 HIS1053 -11.860 -27.341 -2.013 Start of MODEL 23 1 1H ARG 920 H ARG 920 -7.703 -19.815 -3.369 2 HA ARG 920 HA ARG 920 -8.860 -19.710 -0.669 3 1HB ARG 920 HB1 ARG 920 -6.384 -19.750 -0.798 4 2HB ARG 920 HB2 ARG 920 -6.436 -18.285 -1.774 5 1HG ARG 920 HG1 ARG 920 -5.916 -17.640 0.447 6 2HG ARG 920 HG2 ARG 920 -7.584 -17.150 0.134 7 1HD ARG 920 HD1 ARG 920 -8.261 -19.357 1.201 8 2HD ARG 920 HD2 ARG 920 -6.589 -19.475 1.746 9 HE ARG 920 HE ARG 920 -7.678 -16.977 2.491 10 1HH1 ARG 920 2HH1 ARG 920 -7.910 -20.380 3.269 11 2HH1 ARG 920 1HH1 ARG 920 -8.315 -20.098 4.941 12 1HH2 ARG 920 2HH2 ARG 920 -8.237 -16.609 4.722 13 2HH2 ARG 920 1HH2 ARG 920 -8.489 -17.989 5.748 14 H SER 921 H SER 921 -10.546 -18.345 -0.518 15 HA SER 921 HA SER 921 -10.949 -16.043 -2.065 16 1HB SER 921 HB1 SER 921 -11.651 -16.515 0.846 17 2HB SER 921 HB2 SER 921 -12.360 -15.282 -0.197 18 HG SER 921 HG SER 921 -13.745 -17.026 -0.149 19 H ASN 922 H ASN 922 -9.869 -14.139 -2.065 20 HA ASN 922 HA ASN 922 -7.360 -14.086 -0.943 21 1HB ASN 922 HB1 ASN 922 -8.410 -11.512 -1.870 22 2HB ASN 922 HB2 ASN 922 -6.930 -12.353 -2.317 23 1HD2 ASN 922 2HD2 ASN 922 -7.076 -14.106 -3.809 24 2HD2 ASN 922 1HD2 ASN 922 -8.325 -14.121 -5.004 25 H ASP 923 H ASP 923 -7.538 -14.310 1.114 26 HA ASP 923 HA ASP 923 -9.051 -13.189 3.048 27 1HB ASP 923 HB1 ASP 923 -7.384 -15.106 3.087 28 2HB ASP 923 HB2 ASP 923 -6.133 -13.895 3.341 29 H LYS 924 H LYS 924 -7.733 -12.003 4.959 30 HA LYS 924 HA LYS 924 -7.911 -9.335 4.749 31 1HB LYS 924 HB1 LYS 924 -7.045 -10.994 6.678 32 2HB LYS 924 HB2 LYS 924 -5.508 -10.275 6.231 33 1HG LYS 924 HG1 LYS 924 -7.944 -8.727 7.099 34 2HG LYS 924 HG2 LYS 924 -6.596 -9.168 8.147 35 1HD LYS 924 HD1 LYS 924 -5.079 -7.881 6.701 36 2HD LYS 924 HD2 LYS 924 -6.452 -7.420 5.692 37 1HE LYS 924 HE1 LYS 924 -5.980 -6.703 8.583 38 2HE LYS 924 HE2 LYS 924 -5.956 -5.616 7.192 39 1HZ LYS 924 HZ1 LYS 924 -8.329 -7.061 8.259 40 2HZ LYS 924 HZ2 LYS 924 -8.031 -5.393 8.357 41 3HZ LYS 924 HZ3 LYS 924 -8.325 -6.111 6.853 42 H VAL 925 H VAL 925 -5.284 -11.230 3.429 43 HA VAL 925 HA VAL 925 -3.388 -9.289 2.916 44 HB VAL 925 HB VAL 925 -2.869 -10.725 0.845 45 1HG1 VAL 925 1HG1 VAL 925 -1.902 -12.503 2.235 46 2HG1 VAL 925 2HG1 VAL 925 -1.681 -10.922 2.986 47 3HG1 VAL 925 3HG1 VAL 925 -2.929 -12.016 3.584 48 1HG2 VAL 925 1HG2 VAL 925 -3.887 -12.947 0.829 49 2HG2 VAL 925 2HG2 VAL 925 -4.955 -12.477 2.152 50 3HG2 VAL 925 3HG2 VAL 925 -5.100 -11.691 0.579 51 H TYR 926 H TYR 926 -6.212 -10.239 0.781 52 HA TYR 926 HA TYR 926 -5.282 -8.299 -1.181 53 1HB TYR 926 HB1 TYR 926 -6.397 -10.119 -2.152 54 2HB TYR 926 HB2 TYR 926 -7.679 -10.116 -0.946 55 HD1 TYR 926 HD1 TYR 926 -9.703 -9.079 -1.395 56 HD2 TYR 926 HD2 TYR 926 -6.318 -8.115 -3.783 57 HE1 TYR 926 HE1 TYR 926 -11.140 -7.762 -2.885 58 HE2 TYR 926 HE2 TYR 926 -7.749 -6.791 -5.285 59 HH TYR 926 HH TYR 926 -10.997 -5.981 -4.475 60 H GLU 927 H GLU 927 -7.537 -8.539 1.434 61 HA GLU 927 HA GLU 927 -9.244 -6.394 0.792 62 1HB GLU 927 HB1 GLU 927 -9.296 -8.428 2.591 63 2HB GLU 927 HB2 GLU 927 -8.884 -7.076 3.638 64 1HG GLU 927 HG1 GLU 927 -11.010 -6.333 1.865 65 2HG GLU 927 HG2 GLU 927 -11.411 -7.816 2.729 66 H ASN 928 H ASN 928 -6.414 -6.624 2.932 67 HA ASN 928 HA ASN 928 -6.771 -3.960 3.902 68 1HB ASN 928 HB1 ASN 928 -5.616 -5.852 5.131 69 2HB ASN 928 HB2 ASN 928 -4.227 -5.549 4.091 70 1HD2 ASN 928 2HD2 ASN 928 -3.149 -3.543 4.255 71 2HD2 ASN 928 1HD2 ASN 928 -3.285 -2.577 5.678 72 H VAL 929 H VAL 929 -4.609 -5.431 1.488 73 HA VAL 929 HA VAL 929 -3.181 -3.076 0.963 74 HB VAL 929 HB VAL 929 -3.727 -5.194 -1.111 75 1HG1 VAL 929 1HG1 VAL 929 -1.520 -4.518 -1.931 76 2HG1 VAL 929 2HG1 VAL 929 -2.644 -3.159 -1.909 77 3HG1 VAL 929 3HG1 VAL 929 -1.416 -3.308 -0.653 78 1HG2 VAL 929 1HG2 VAL 929 -1.781 -6.360 -0.272 79 2HG2 VAL 929 2HG2 VAL 929 -1.585 -5.161 1.008 80 3HG2 VAL 929 3HG2 VAL 929 -2.996 -6.221 0.998 81 H THR 930 H THR 930 -6.263 -4.226 -0.362 82 HA THR 930 HA THR 930 -6.510 -1.966 -2.109 83 HB THR 930 HB THR 930 -9.032 -2.558 -1.960 84 HG1 THR 930 HG1 THR 930 -8.057 -5.050 -1.031 85 1HG2 THR 930 1HG2 THR 930 -8.735 -4.445 -3.513 86 2HG2 THR 930 2HG2 THR 930 -7.649 -3.103 -3.881 87 3HG2 THR 930 3HG2 THR 930 -7.035 -4.537 -3.057 88 H GLY 931 H GLY 931 -7.239 -2.706 1.213 89 1HA GLY 931 HA1 GLY 931 -8.463 -0.319 2.001 90 2HA GLY 931 HA2 GLY 931 -7.414 -1.294 3.020 91 H LEU 932 H LEU 932 -5.060 -0.978 1.259 92 HA LEU 932 HA LEU 932 -3.994 1.449 2.232 93 1HB LEU 932 HB1 LEU 932 -2.858 -0.729 1.281 94 2HB LEU 932 HB2 LEU 932 -2.978 0.100 -0.256 95 HG LEU 932 HG LEU 932 -1.511 1.208 2.149 96 1HD1 LEU 932 1HD1 LEU 932 0.532 0.537 0.996 97 2HD1 LEU 932 2HD1 LEU 932 -0.471 -0.860 1.389 98 3HD1 LEU 932 3HD1 LEU 932 -0.428 -0.242 -0.262 99 1HD2 LEU 932 1HD2 LEU 932 -1.483 2.009 -0.764 100 2HD2 LEU 932 2HD2 LEU 932 -2.238 2.910 0.551 101 3HD2 LEU 932 3HD2 LEU 932 -0.487 2.709 0.512 102 H VAL 933 H VAL 933 -5.500 0.492 -0.799 103 HA VAL 933 HA VAL 933 -5.319 2.973 -2.130 104 HB VAL 933 HB VAL 933 -7.428 0.825 -2.414 105 1HG1 VAL 933 1HG1 VAL 933 -6.665 3.057 -4.293 106 2HG1 VAL 933 2HG1 VAL 933 -7.819 1.766 -4.635 107 3HG1 VAL 933 3HG1 VAL 933 -8.162 2.941 -3.365 108 1HG2 VAL 933 1HG2 VAL 933 -4.864 1.267 -3.944 109 2HG2 VAL 933 2HG2 VAL 933 -5.183 -0.035 -2.798 110 3HG2 VAL 933 3HG2 VAL 933 -6.085 0.045 -4.311 111 H LYS 934 H LYS 934 -7.785 1.600 0.016 112 HA LYS 934 HA LYS 934 -9.641 3.686 -0.095 113 1HB LYS 934 HB1 LYS 934 -9.035 2.071 2.383 114 2HB LYS 934 HB2 LYS 934 -10.545 2.861 1.971 115 1HG LYS 934 HG1 LYS 934 -9.364 0.509 0.512 116 2HG LYS 934 HG2 LYS 934 -10.627 0.419 1.736 117 1HD LYS 934 HD1 LYS 934 -11.957 0.427 -0.097 118 2HD LYS 934 HD2 LYS 934 -11.774 2.172 0.076 119 1HE LYS 934 HE1 LYS 934 -10.134 2.264 -1.625 120 2HE LYS 934 HE2 LYS 934 -9.925 0.512 -1.621 121 1HZ LYS 934 HZ1 LYS 934 -12.351 1.980 -2.517 122 2HZ LYS 934 HZ2 LYS 934 -11.224 1.207 -3.519 123 3HZ LYS 934 HZ3 LYS 934 -12.191 0.292 -2.470 124 H ALA 935 H ALA 935 -6.668 3.320 1.719 125 HA ALA 935 HA ALA 935 -7.146 5.611 3.381 126 1HB ALA 935 HB1 ALA 935 -4.602 4.073 2.934 127 2HB ALA 935 HB2 ALA 935 -4.909 5.237 4.222 128 3HB ALA 935 HB3 ALA 935 -5.813 3.723 4.167 129 H VAL 936 H VAL 936 -5.533 5.042 0.295 130 HA VAL 936 HA VAL 936 -4.559 7.758 0.286 131 HB VAL 936 HB VAL 936 -3.304 6.022 -0.922 132 1HG1 VAL 936 1HG1 VAL 936 -5.582 6.050 -2.901 133 2HG1 VAL 936 2HG1 VAL 936 -4.071 5.151 -3.044 134 3HG1 VAL 936 3HG1 VAL 936 -5.224 4.739 -1.777 135 1HG2 VAL 936 1HG2 VAL 936 -2.893 7.319 -2.973 136 2HG2 VAL 936 2HG2 VAL 936 -4.344 8.266 -2.645 137 3HG2 VAL 936 3HG2 VAL 936 -2.977 8.330 -1.531 138 H ILE 937 H ILE 937 -7.472 6.154 -0.378 139 HA ILE 937 HA ILE 937 -8.718 8.294 -1.776 140 HB ILE 937 HB ILE 937 -9.919 6.228 0.076 141 1HG1 ILE 937 1HG1 ILE 937 -9.868 6.457 -2.941 142 2HG1 ILE 937 2HG1 ILE 937 -8.973 5.291 -1.972 143 1HG2 ILE 937 1HG2 ILE 937 -12.097 6.892 -0.846 144 2HG2 ILE 937 2HG2 ILE 937 -11.331 8.208 0.045 145 3HG2 ILE 937 3HG2 ILE 937 -11.316 8.210 -1.720 146 1HD1 ILE 937 1HD1 ILE 937 -11.077 4.290 -1.241 147 2HD1 ILE 937 2HD1 ILE 937 -11.967 5.456 -2.220 148 3HD1 ILE 937 3HD1 ILE 937 -10.916 4.274 -2.998 149 H GLU 938 H GLU 938 -8.330 7.443 1.653 150 HA GLU 938 HA GLU 938 -9.354 9.705 2.879 151 1HB GLU 938 HB1 GLU 938 -6.850 8.152 3.575 152 2HB GLU 938 HB2 GLU 938 -7.546 9.390 4.609 153 1HG GLU 938 HG1 GLU 938 -8.906 6.840 3.760 154 2HG GLU 938 HG2 GLU 938 -8.176 7.153 5.335 155 H MET 939 H MET 939 -6.185 9.225 1.409 156 HA MET 939 HA MET 939 -5.077 11.714 1.964 157 1HB MET 939 HB1 MET 939 -3.721 9.925 1.081 158 2HB MET 939 HB2 MET 939 -4.669 9.879 -0.400 159 1HG MET 939 HG1 MET 939 -3.856 12.085 -1.004 160 2HG MET 939 HG2 MET 939 -2.941 12.173 0.499 161 1HE MET 939 HE1 MET 939 -0.130 11.831 -2.168 162 2HE MET 939 HE2 MET 939 -1.627 12.759 -2.250 163 3HE MET 939 HE3 MET 939 -0.695 12.723 -0.754 164 H SER 940 H SER 940 -7.169 10.678 -0.668 165 HA SER 940 HA SER 940 -7.052 13.105 -2.123 166 1HB SER 940 HB1 SER 940 -9.171 10.944 -2.140 167 2HB SER 940 HB2 SER 940 -8.960 12.193 -3.369 168 HG SER 940 HG SER 940 -6.995 10.255 -2.663 169 H SER 941 H SER 941 -9.193 11.923 0.463 170 HA SER 941 HA SER 941 -11.062 14.089 0.049 171 1HB SER 941 HB1 SER 941 -12.041 13.188 2.235 172 2HB SER 941 HB2 SER 941 -12.039 12.078 0.865 173 HG SER 941 HG SER 941 -10.807 11.853 3.276 174 H LYS 942 H LYS 942 -8.525 13.195 2.253 175 HA LYS 942 HA LYS 942 -8.658 15.178 4.156 176 1HB LYS 942 HB1 LYS 942 -6.659 13.317 3.124 177 2HB LYS 942 HB2 LYS 942 -5.955 14.782 3.803 178 1HG LYS 942 HG1 LYS 942 -7.990 13.130 5.263 179 2HG LYS 942 HG2 LYS 942 -6.246 12.856 5.391 180 1HD LYS 942 HD1 LYS 942 -5.871 14.984 6.295 181 2HD LYS 942 HD2 LYS 942 -7.480 15.545 5.828 182 1HE LYS 942 HE1 LYS 942 -7.231 15.076 8.268 183 2HE LYS 942 HE2 LYS 942 -8.518 14.161 7.484 184 1HZ LYS 942 HZ1 LYS 942 -5.805 13.118 8.097 185 2HZ LYS 942 HZ2 LYS 942 -7.207 12.789 8.987 186 3HZ LYS 942 HZ3 LYS 942 -7.075 12.245 7.388 187 H ILE 943 H ILE 943 -6.930 15.280 1.039 188 HA ILE 943 HA ILE 943 -5.768 17.798 1.647 189 HB ILE 943 HB ILE 943 -4.691 16.217 0.100 190 1HG1 ILE 943 1HG1 ILE 943 -5.383 18.833 -1.254 191 2HG1 ILE 943 2HG1 ILE 943 -4.173 18.645 0.011 192 1HG2 ILE 943 1HG2 ILE 943 -5.512 16.009 -2.216 193 2HG2 ILE 943 2HG2 ILE 943 -6.622 15.322 -1.028 194 3HG2 ILE 943 3HG2 ILE 943 -6.967 16.893 -1.753 195 1HD1 ILE 943 1HD1 ILE 943 -4.093 17.330 -2.695 196 2HD1 ILE 943 2HD1 ILE 943 -3.167 18.748 -2.203 197 3HD1 ILE 943 3HD1 ILE 943 -2.871 17.189 -1.432 198 H GLN 944 H GLN 944 -8.780 16.844 0.153 199 HA GLN 944 HA GLN 944 -9.254 19.075 -1.436 200 1HB GLN 944 HB1 GLN 944 -11.306 17.435 0.052 201 2HB GLN 944 HB2 GLN 944 -11.645 18.533 -1.279 202 1HG GLN 944 HG1 GLN 944 -10.266 17.168 -2.756 203 2HG GLN 944 HG2 GLN 944 -9.932 16.068 -1.420 204 1HE2 GLN 944 2HE2 GLN 944 -11.117 15.404 -3.914 205 2HE2 GLN 944 1HE2 GLN 944 -12.709 14.810 -3.580 206 HA PRO 945 HA PRO 945 -11.251 21.586 1.909 207 1HB PRO 945 HB1 PRO 945 -12.308 20.574 4.147 208 2HB PRO 945 HB2 PRO 945 -13.060 20.323 2.568 209 1HG PRO 945 HG1 PRO 945 -11.588 18.414 4.269 210 2HG PRO 945 HG2 PRO 945 -12.792 18.103 3.011 211 1HD PRO 945 HD1 PRO 945 -9.920 17.984 2.803 212 2HD PRO 945 HD2 PRO 945 -11.130 17.612 1.562 213 H ALA 946 H ALA 946 -8.733 19.605 3.127 214 HA ALA 946 HA ALA 946 -8.471 21.171 5.583 215 1HB ALA 946 HB1 ALA 946 -8.431 18.753 5.800 216 2HB ALA 946 HB2 ALA 946 -7.036 18.670 4.723 217 3HB ALA 946 HB3 ALA 946 -6.893 19.457 6.296 218 HA PRO 947 HA PRO 947 -5.087 23.568 4.121 219 1HB PRO 947 HB1 PRO 947 -3.978 23.736 6.798 220 2HB PRO 947 HB2 PRO 947 -4.878 24.957 5.898 221 1HG PRO 947 HG1 PRO 947 -5.857 23.713 8.109 222 2HG PRO 947 HG2 PRO 947 -6.887 24.332 6.806 223 1HD PRO 947 HD1 PRO 947 -5.965 21.527 7.324 224 2HD PRO 947 HD2 PRO 947 -7.569 22.116 6.831 225 HA PRO 948 HA PRO 948 -1.133 21.481 3.736 226 1HB PRO 948 HB1 PRO 948 0.189 23.648 5.280 227 2HB PRO 948 HB2 PRO 948 0.591 22.995 3.687 228 1HG PRO 948 HG1 PRO 948 -0.601 25.360 3.910 229 2HG PRO 948 HG2 PRO 948 -1.063 24.233 2.620 230 1HD PRO 948 HD1 PRO 948 -2.478 24.886 5.168 231 2HD PRO 948 HD2 PRO 948 -3.147 24.557 3.556 232 H GLU 949 H GLU 949 -1.926 22.758 6.889 233 HA GLU 949 HA GLU 949 -0.257 21.261 8.525 234 1HB GLU 949 HB1 GLU 949 -3.147 22.012 9.005 235 2HB GLU 949 HB2 GLU 949 -1.996 21.528 10.242 236 1HG GLU 949 HG1 GLU 949 -0.627 23.491 9.729 237 2HG GLU 949 HG2 GLU 949 -1.801 23.981 8.510 238 H GLU 950 H GLU 950 -3.048 20.343 6.666 239 HA GLU 950 HA GLU 950 -2.930 17.639 7.775 240 1HB GLU 950 HB1 GLU 950 -5.059 19.236 6.612 241 2HB GLU 950 HB2 GLU 950 -4.923 17.649 5.861 242 1HG GLU 950 HG1 GLU 950 -6.515 17.588 7.663 243 2HG GLU 950 HG2 GLU 950 -5.113 16.595 8.051 244 H TYR 951 H TYR 951 -1.637 19.397 5.235 245 HA TYR 951 HA TYR 951 -1.747 17.606 3.089 246 1HB TYR 951 HB1 TYR 951 0.317 19.602 3.962 247 2HB TYR 951 HB2 TYR 951 0.681 18.503 2.640 248 HD1 TYR 951 HD1 TYR 951 -2.784 19.231 2.607 249 HD2 TYR 951 HD2 TYR 951 1.020 20.843 1.599 250 HE1 TYR 951 HE1 TYR 951 -3.858 20.761 1.005 251 HE2 TYR 951 HE2 TYR 951 -0.037 22.374 0.008 252 HH TYR 951 HH TYR 951 -3.305 23.018 -0.064 253 H VAL 952 H VAL 952 0.443 17.763 5.859 254 HA VAL 952 HA VAL 952 1.737 15.338 5.055 255 HB VAL 952 HB VAL 952 3.277 16.459 6.243 256 1HG1 VAL 952 1HG1 VAL 952 1.956 18.346 6.915 257 2HG1 VAL 952 2HG1 VAL 952 1.150 17.399 8.166 258 3HG1 VAL 952 3HG1 VAL 952 2.870 17.767 8.307 259 1HG2 VAL 952 1HG2 VAL 952 1.941 14.871 8.430 260 2HG2 VAL 952 2HG2 VAL 952 3.150 14.291 7.283 261 3HG2 VAL 952 3HG2 VAL 952 3.586 15.503 8.488 262 HA PRO 953 HA PRO 953 -1.082 13.296 8.637 263 1HB PRO 953 HB1 PRO 953 -3.325 15.179 8.076 264 2HB PRO 953 HB2 PRO 953 -2.970 14.270 9.555 265 1HG PRO 953 HG1 PRO 953 -2.366 16.826 9.449 266 2HG PRO 953 HG2 PRO 953 -1.197 15.679 10.136 267 1HD PRO 953 HD1 PRO 953 -1.190 17.022 7.464 268 2HD PRO 953 HD2 PRO 953 0.168 16.645 8.542 269 H MET 954 H MET 954 -2.280 14.855 5.699 270 HA MET 954 HA MET 954 -4.211 12.969 4.934 271 1HB MET 954 HB1 MET 954 -4.262 14.975 3.765 272 2HB MET 954 HB2 MET 954 -2.521 15.009 3.538 273 1HG MET 954 HG1 MET 954 -3.537 12.757 2.164 274 2HG MET 954 HG2 MET 954 -4.530 14.154 1.745 275 1HE MET 954 HE1 MET 954 -3.444 16.482 0.867 276 2HE MET 954 HE2 MET 954 -2.310 16.463 2.216 277 3HE MET 954 HE3 MET 954 -1.718 16.681 0.569 278 H VAL 955 H VAL 955 -0.904 13.302 3.659 279 HA VAL 955 HA VAL 955 -0.773 10.734 2.619 280 HB VAL 955 HB VAL 955 1.506 12.441 3.640 281 1HG1 VAL 955 1HG1 VAL 955 1.586 9.991 1.882 282 2HG1 VAL 955 2HG1 VAL 955 2.956 11.035 2.263 283 3HG1 VAL 955 3HG1 VAL 955 2.178 10.099 3.540 284 1HG2 VAL 955 1HG2 VAL 955 0.398 11.999 0.867 285 2HG2 VAL 955 2HG2 VAL 955 0.216 13.459 1.840 286 3HG2 VAL 955 3HG2 VAL 955 1.811 12.973 1.269 287 H LYS 956 H LYS 956 -0.491 11.761 5.927 288 HA LYS 956 HA LYS 956 0.834 9.421 6.868 289 1HB LYS 956 HB1 LYS 956 0.470 11.583 8.173 290 2HB LYS 956 HB2 LYS 956 -1.169 11.010 8.461 291 1HG LYS 956 HG1 LYS 956 0.329 10.511 10.340 292 2HG LYS 956 HG2 LYS 956 -0.322 9.047 9.601 293 1HD LYS 956 HD1 LYS 956 1.784 8.867 8.275 294 2HD LYS 956 HD2 LYS 956 2.427 10.221 9.203 295 1HE LYS 956 HE1 LYS 956 1.504 7.590 10.358 296 2HE LYS 956 HE2 LYS 956 3.182 8.036 10.057 297 1HZ LYS 956 HZ1 LYS 956 1.323 9.070 12.094 298 2HZ LYS 956 HZ2 LYS 956 2.920 8.525 12.266 299 3HZ LYS 956 HZ3 LYS 956 2.615 10.038 11.564 300 H GLU 957 H GLU 957 -2.458 10.216 6.071 301 HA GLU 957 HA GLU 957 -3.744 7.931 6.991 302 1HB GLU 957 HB1 GLU 957 -4.326 9.359 4.383 303 2HB GLU 957 HB2 GLU 957 -5.422 8.293 5.248 304 1HG GLU 957 HG1 GLU 957 -4.419 10.980 6.140 305 2HG GLU 957 HG2 GLU 957 -6.059 10.557 5.651 306 H VAL 958 H VAL 958 -2.070 8.413 3.834 307 HA VAL 958 HA VAL 958 -2.364 5.658 3.116 308 HB VAL 958 HB VAL 958 -1.034 6.030 1.234 309 1HG1 VAL 958 1HG1 VAL 958 -2.244 8.705 1.910 310 2HG1 VAL 958 2HG1 VAL 958 -1.804 8.144 0.296 311 3HG1 VAL 958 3HG1 VAL 958 -3.085 7.331 1.197 312 1HG2 VAL 958 1HG2 VAL 958 0.209 8.399 2.627 313 2HG2 VAL 958 2HG2 VAL 958 0.978 6.843 2.313 314 3HG2 VAL 958 3HG2 VAL 958 0.535 7.894 0.968 315 H GLY 959 H GLY 959 -0.064 7.371 5.089 316 1HA GLY 959 HA1 GLY 959 1.971 5.365 5.060 317 2HA GLY 959 HA2 GLY 959 1.766 6.613 6.285 318 H LEU 960 H LEU 960 -0.653 6.107 7.322 319 HA LEU 960 HA LEU 960 -0.514 3.856 8.937 320 1HB LEU 960 HB1 LEU 960 -2.035 5.689 9.400 321 2HB LEU 960 HB2 LEU 960 -2.948 5.343 7.946 322 HG LEU 960 HG LEU 960 -3.579 3.137 8.937 323 1HD1 LEU 960 1HD1 LEU 960 -2.301 4.293 11.409 324 2HD1 LEU 960 2HD1 LEU 960 -3.298 2.839 11.355 325 3HD1 LEU 960 3HD1 LEU 960 -1.751 2.880 10.508 326 1HD2 LEU 960 1HD2 LEU 960 -5.238 4.063 10.465 327 2HD2 LEU 960 2HD2 LEU 960 -4.347 5.584 10.517 328 3HD2 LEU 960 3HD2 LEU 960 -5.087 5.045 9.008 329 H ALA 961 H ALA 961 -1.767 4.244 5.725 330 HA ALA 961 HA ALA 961 -3.212 1.870 5.439 331 1HB ALA 961 HB1 ALA 961 -1.634 3.307 3.318 332 2HB ALA 961 HB2 ALA 961 -2.923 2.134 3.045 333 3HB ALA 961 HB3 ALA 961 -3.286 3.682 3.807 334 H LEU 962 H LEU 962 0.191 2.472 4.415 335 HA LEU 962 HA LEU 962 0.612 -0.285 3.907 336 1HB LEU 962 HB1 LEU 962 1.866 1.380 2.699 337 2HB LEU 962 HB2 LEU 962 2.571 1.986 4.189 338 HG LEU 962 HG LEU 962 3.061 -0.873 3.618 339 1HD1 LEU 962 1HD1 LEU 962 3.234 0.104 1.384 340 2HD1 LEU 962 2HD1 LEU 962 4.370 1.303 2.001 341 3HD1 LEU 962 3HD1 LEU 962 4.806 -0.406 1.998 342 1HD2 LEU 962 1HD2 LEU 962 4.050 0.253 5.548 343 2HD2 LEU 962 2HD2 LEU 962 5.297 -0.276 4.419 344 3HD2 LEU 962 3HD2 LEU 962 4.824 1.421 4.478 345 H ARG 963 H ARG 963 1.287 1.758 6.765 346 HA ARG 963 HA ARG 963 2.623 -0.109 8.295 347 1HB ARG 963 HB1 ARG 963 2.138 2.240 8.945 348 2HB ARG 963 HB2 ARG 963 0.468 1.786 9.246 349 1HG ARG 963 HG1 ARG 963 1.152 0.310 11.034 350 2HG ARG 963 HG2 ARG 963 2.850 0.655 10.697 351 1HD ARG 963 HD1 ARG 963 2.418 3.041 11.197 352 2HD ARG 963 HD2 ARG 963 0.764 2.619 11.634 353 HE ARG 963 HE ARG 963 2.356 0.999 13.186 354 1HH1 ARG 963 2HH1 ARG 963 1.932 4.442 12.726 355 2HH1 ARG 963 1HH1 ARG 963 2.439 4.856 14.341 356 1HH2 ARG 963 2HH2 ARG 963 3.002 1.525 15.308 357 2HH2 ARG 963 1HH2 ARG 963 3.055 3.188 15.805 358 H THR 964 H THR 964 -0.908 0.396 8.296 359 HA THR 964 HA THR 964 -1.605 -1.930 9.656 360 HB THR 964 HB THR 964 -3.236 -0.676 7.437 361 HG1 THR 964 HG1 THR 964 -2.917 1.008 8.763 362 1HG2 THR 964 1HG2 THR 964 -4.120 -2.805 8.254 363 2HG2 THR 964 2HG2 THR 964 -4.034 -2.216 9.913 364 3HG2 THR 964 3HG2 THR 964 -5.147 -1.468 8.769 365 H LEU 965 H LEU 965 -0.851 -1.413 6.281 366 HA LEU 965 HA LEU 965 -1.486 -3.966 5.291 367 1HB LEU 965 HB1 LEU 965 -1.093 -2.083 3.832 368 2HB LEU 965 HB2 LEU 965 0.544 -1.907 4.423 369 HG LEU 965 HG LEU 965 0.115 -2.956 2.090 370 1HD1 LEU 965 1HD1 LEU 965 2.118 -4.330 2.314 371 2HD1 LEU 965 2HD1 LEU 965 2.301 -2.783 3.140 372 3HD1 LEU 965 3HD1 LEU 965 1.983 -4.247 4.071 373 1HD2 LEU 965 1HD2 LEU 965 -0.124 -5.376 2.109 374 2HD2 LEU 965 2HD2 LEU 965 -0.312 -5.356 3.862 375 3HD2 LEU 965 3HD2 LEU 965 -1.531 -4.600 2.835 376 H LEU 966 H LEU 966 1.295 -2.708 6.971 377 HA LEU 966 HA LEU 966 3.045 -4.882 6.567 378 1HB LEU 966 HB1 LEU 966 3.705 -2.660 7.474 379 2HB LEU 966 HB2 LEU 966 2.908 -3.070 8.978 380 HG LEU 966 HG LEU 966 4.493 -4.926 9.308 381 1HD1 LEU 966 1HD1 LEU 966 4.981 -5.409 6.966 382 2HD1 LEU 966 2HD1 LEU 966 5.815 -3.861 6.815 383 3HD1 LEU 966 3HD1 LEU 966 6.461 -5.113 7.878 384 1HD2 LEU 966 1HD2 LEU 966 4.970 -2.747 10.279 385 2HD2 LEU 966 2HD2 LEU 966 6.463 -3.544 9.779 386 3HD2 LEU 966 3HD2 LEU 966 5.782 -2.248 8.795 387 H ALA 967 H ALA 967 0.344 -4.430 8.739 388 HA ALA 967 HA ALA 967 0.759 -6.746 10.332 389 1HB ALA 967 HB1 ALA 967 -1.624 -6.592 10.859 390 2HB ALA 967 HB2 ALA 967 -0.851 -5.010 10.951 391 3HB ALA 967 HB3 ALA 967 -1.844 -5.426 9.554 392 H THR 968 H THR 968 -0.971 -6.187 7.305 393 HA THR 968 HA THR 968 -1.784 -8.848 6.820 394 HB THR 968 HB THR 968 -1.237 -6.515 4.997 395 HG1 THR 968 HG1 THR 968 -3.705 -7.809 5.182 396 1HG2 THR 968 1HG2 THR 968 -2.253 -9.230 4.145 397 2HG2 THR 968 2HG2 THR 968 -2.178 -7.786 3.137 398 3HG2 THR 968 3HG2 THR 968 -0.690 -8.531 3.718 399 H VAL 969 H VAL 969 1.173 -7.097 6.061 400 HA VAL 969 HA VAL 969 2.549 -9.077 4.675 401 HB VAL 969 HB VAL 969 3.692 -7.043 6.600 402 1HG1 VAL 969 1HG1 VAL 969 5.293 -8.840 6.157 403 2HG1 VAL 969 2HG1 VAL 969 5.070 -8.617 4.422 404 3HG1 VAL 969 3HG1 VAL 969 5.799 -7.335 5.389 405 1HG2 VAL 969 1HG2 VAL 969 4.112 -5.720 4.585 406 2HG2 VAL 969 2HG2 VAL 969 3.319 -6.956 3.609 407 3HG2 VAL 969 3HG2 VAL 969 2.391 -6.044 4.799 408 H ASP 970 H ASP 970 1.933 -8.796 8.121 409 HA ASP 970 HA ASP 970 3.767 -10.895 8.848 410 1HB ASP 970 HB1 ASP 970 3.209 -9.160 10.474 411 2HB ASP 970 HB2 ASP 970 1.505 -9.589 10.383 412 H GLU 971 H GLU 971 0.483 -10.711 7.873 413 HA GLU 971 HA GLU 971 -0.185 -13.428 8.447 414 1HB GLU 971 HB1 GLU 971 -1.226 -11.626 6.245 415 2HB GLU 971 HB2 GLU 971 -1.982 -13.112 6.806 416 1HG GLU 971 HG1 GLU 971 -1.528 -10.694 8.528 417 2HG GLU 971 HG2 GLU 971 -3.035 -11.039 7.670 418 H SER 972 H SER 972 0.873 -11.741 5.555 419 HA SER 972 HA SER 972 1.199 -14.029 3.954 420 1HB SER 972 HB1 SER 972 0.795 -11.873 2.978 421 2HB SER 972 HB2 SER 972 2.281 -11.223 3.689 422 HG SER 972 HG SER 972 3.059 -13.293 2.353 423 H LEU 973 H LEU 973 3.302 -12.519 6.282 424 HA LEU 973 HA LEU 973 5.779 -13.349 5.240 425 1HB LEU 973 HB1 LEU 973 5.555 -11.627 6.980 426 2HB LEU 973 HB2 LEU 973 5.020 -12.843 8.125 427 HG LEU 973 HG LEU 973 7.233 -13.947 7.945 428 1HD1 LEU 973 1HD1 LEU 973 7.965 -11.530 6.301 429 2HD1 LEU 973 2HD1 LEU 973 9.076 -12.774 6.874 430 3HD1 LEU 973 3HD1 LEU 973 7.823 -13.182 5.701 431 1HD2 LEU 973 1HD2 LEU 973 7.315 -11.030 8.708 432 2HD2 LEU 973 2HD2 LEU 973 6.772 -12.356 9.737 433 3HD2 LEU 973 3HD2 LEU 973 8.458 -12.268 9.228 434 HA PRO 974 HA PRO 974 5.390 -17.438 7.937 435 1HB PRO 974 HB1 PRO 974 2.403 -17.455 8.016 436 2HB PRO 974 HB2 PRO 974 3.562 -18.134 9.167 437 1HG PRO 974 HG1 PRO 974 2.303 -15.871 9.724 438 2HG PRO 974 HG2 PRO 974 4.021 -16.067 10.123 439 1HD PRO 974 HD1 PRO 974 2.755 -14.543 7.889 440 2HD PRO 974 HD2 PRO 974 4.188 -14.146 8.857 441 H VAL 975 H VAL 975 2.970 -16.225 5.648 442 HA VAL 975 HA VAL 975 2.922 -18.739 4.196 443 HB VAL 975 HB VAL 975 1.981 -16.136 3.015 444 1HG1 VAL 975 1HG1 VAL 975 1.041 -18.997 2.766 445 2HG1 VAL 975 2HG1 VAL 975 0.345 -17.609 1.929 446 3HG1 VAL 975 3HG1 VAL 975 2.000 -18.111 1.578 447 1HG2 VAL 975 1HG2 VAL 975 1.066 -16.266 5.291 448 2HG2 VAL 975 2HG2 VAL 975 -0.188 -16.488 4.073 449 3HG2 VAL 975 3HG2 VAL 975 0.448 -17.881 4.947 450 H LEU 976 H LEU 976 5.104 -16.187 4.375 451 HA LEU 976 HA LEU 976 6.120 -16.165 1.745 452 1HB LEU 976 HB1 LEU 976 6.698 -14.326 3.039 453 2HB LEU 976 HB2 LEU 976 7.213 -15.297 4.401 454 HG LEU 976 HG LEU 976 8.787 -15.310 1.839 455 1HD1 LEU 976 1HD1 LEU 976 8.999 -13.281 4.059 456 2HD1 LEU 976 2HD1 LEU 976 10.139 -13.468 2.726 457 3HD1 LEU 976 3HD1 LEU 976 8.480 -12.964 2.405 458 1HD2 LEU 976 1HD2 LEU 976 9.375 -16.942 3.570 459 2HD2 LEU 976 2HD2 LEU 976 10.656 -15.750 3.346 460 3HD2 LEU 976 3HD2 LEU 976 9.574 -15.632 4.734 461 HA PRO 977 HA PRO 977 9.276 -19.580 3.195 462 1HB PRO 977 HB1 PRO 977 7.795 -20.788 5.453 463 2HB PRO 977 HB2 PRO 977 9.527 -20.489 5.279 464 1HG PRO 977 HG1 PRO 977 8.016 -19.012 6.916 465 2HG PRO 977 HG2 PRO 977 9.358 -18.301 5.997 466 1HD PRO 977 HD1 PRO 977 6.417 -18.166 5.482 467 2HD PRO 977 HD2 PRO 977 7.657 -16.912 5.286 468 H ALA 978 H ALA 978 5.816 -19.903 3.806 469 HA ALA 978 HA ALA 978 5.413 -22.466 2.806 470 1HB ALA 978 HB1 ALA 978 3.536 -20.127 2.503 471 2HB ALA 978 HB2 ALA 978 3.112 -21.837 2.460 472 3HB ALA 978 HB3 ALA 978 3.694 -21.111 3.958 473 H SER 979 H SER 979 5.173 -19.374 1.019 474 HA SER 979 HA SER 979 6.307 -20.434 -1.361 475 1HB SER 979 HB1 SER 979 3.308 -20.351 -1.130 476 2HB SER 979 HB2 SER 979 4.085 -20.113 -2.699 477 HG SER 979 HG SER 979 4.894 -22.295 -1.141 478 H THR 980 H THR 980 4.616 -17.935 0.327 479 HA THR 980 HA THR 980 4.197 -16.093 -1.735 480 HB THR 980 HB THR 980 4.547 -15.485 1.195 481 HG1 THR 980 HG1 THR 980 2.883 -16.883 1.099 482 1HG2 THR 980 1HG2 THR 980 4.615 -13.488 -0.219 483 2HG2 THR 980 2HG2 THR 980 3.117 -13.989 -1.006 484 3HG2 THR 980 3HG2 THR 980 3.116 -13.556 0.704 485 H HIS 981 H HIS 981 7.166 -16.783 -0.082 486 HA HIS 981 HA HIS 981 8.317 -14.316 0.177 487 1HB HIS 981 HB1 HIS 981 10.317 -15.362 0.544 488 2HB HIS 981 HB2 HIS 981 9.240 -16.739 0.700 489 HD1 HIS 981 HD1 HIS 981 11.850 -15.243 -1.543 490 HD2 HIS 981 HD2 HIS 981 9.559 -18.713 -1.252 491 HE1 HIS 981 HE1 HIS 981 12.853 -16.870 -3.185 492 HE2 HIS 981 HE2 HIS 981 11.584 -19.021 -2.834 493 H ARG 982 H ARG 982 7.624 -15.867 -2.818 494 HA ARG 982 HA ARG 982 9.630 -14.526 -4.359 495 1HB ARG 982 HB1 ARG 982 8.348 -16.579 -5.101 496 2HB ARG 982 HB2 ARG 982 6.972 -15.523 -5.392 497 1HG ARG 982 HG1 ARG 982 8.430 -14.200 -6.942 498 2HG ARG 982 HG2 ARG 982 9.648 -15.465 -6.763 499 1HD ARG 982 HD1 ARG 982 8.439 -15.951 -8.744 500 2HD ARG 982 HD2 ARG 982 7.902 -17.103 -7.522 501 HE ARG 982 HE ARG 982 6.275 -14.717 -7.729 502 1HH1 ARG 982 2HH1 ARG 982 6.730 -18.045 -8.758 503 2HH1 ARG 982 1HH1 ARG 982 5.109 -18.208 -9.369 504 1HH2 ARG 982 2HH2 ARG 982 4.154 -14.936 -8.498 505 2HH2 ARG 982 1HH2 ARG 982 3.650 -16.425 -9.254 506 H GLU 983 H GLU 983 6.096 -13.928 -4.044 507 HA GLU 983 HA GLU 983 6.338 -11.373 -5.296 508 1HB GLU 983 HB1 GLU 983 4.102 -12.931 -4.221 509 2HB GLU 983 HB2 GLU 983 3.932 -11.202 -4.080 510 1HG GLU 983 HG1 GLU 983 2.964 -11.744 -6.108 511 2HG GLU 983 HG2 GLU 983 4.534 -11.031 -6.478 512 H ILE 984 H ILE 984 5.950 -12.395 -1.931 513 HA ILE 984 HA ILE 984 5.357 -9.829 -0.969 514 HB ILE 984 HB ILE 984 4.983 -11.897 0.343 515 1HG1 ILE 984 1HG1 ILE 984 5.721 -10.966 2.539 516 2HG1 ILE 984 2HG1 ILE 984 6.699 -9.782 1.678 517 1HG2 ILE 984 1HG2 ILE 984 6.847 -12.884 1.591 518 2HG2 ILE 984 2HG2 ILE 984 7.066 -13.044 -0.151 519 3HG2 ILE 984 3HG2 ILE 984 7.974 -11.826 0.742 520 1HD1 ILE 984 1HD1 ILE 984 4.583 -8.843 2.444 521 2HD1 ILE 984 2HD1 ILE 984 4.700 -8.831 0.685 522 3HD1 ILE 984 3HD1 ILE 984 3.706 -10.043 1.494 523 H GLU 985 H GLU 985 8.390 -11.391 -1.762 524 HA GLU 985 HA GLU 985 9.998 -9.262 -0.743 525 1HB GLU 985 HB1 GLU 985 10.581 -11.484 -2.685 526 2HB GLU 985 HB2 GLU 985 11.767 -10.254 -2.272 527 1HG GLU 985 HG1 GLU 985 11.534 -10.905 0.109 528 2HG GLU 985 HG2 GLU 985 10.476 -12.223 -0.397 529 H MET 986 H MET 986 8.403 -9.904 -3.866 530 HA MET 986 HA MET 986 9.925 -7.946 -5.240 531 1HB MET 986 HB1 MET 986 8.596 -8.289 -7.134 532 2HB MET 986 HB2 MET 986 8.718 -9.850 -6.349 533 1HG MET 986 HG1 MET 986 6.480 -9.618 -5.470 534 2HG MET 986 HG2 MET 986 6.356 -7.996 -6.148 535 1HE MET 986 HE1 MET 986 7.884 -8.506 -8.987 536 2HE MET 986 HE2 MET 986 6.471 -8.765 -10.011 537 3HE MET 986 HE3 MET 986 6.447 -7.506 -8.777 538 H ALA 987 H ALA 987 6.630 -7.861 -3.923 539 HA ALA 987 HA ALA 987 6.298 -5.130 -4.691 540 1HB ALA 987 HB1 ALA 987 4.126 -5.267 -3.670 541 2HB ALA 987 HB2 ALA 987 4.416 -6.691 -4.670 542 3HB ALA 987 HB3 ALA 987 4.547 -6.804 -2.914 543 H GLN 988 H GLN 988 6.789 -6.807 -1.566 544 HA GLN 988 HA GLN 988 6.344 -4.517 -0.011 545 1HB GLN 988 HB1 GLN 988 6.325 -6.687 1.038 546 2HB GLN 988 HB2 GLN 988 8.003 -6.967 0.605 547 1HG GLN 988 HG1 GLN 988 7.836 -6.445 2.944 548 2HG GLN 988 HG2 GLN 988 8.684 -5.151 2.102 549 1HE2 GLN 988 2HE2 GLN 988 7.696 -3.132 1.908 550 2HE2 GLN 988 1HE2 GLN 988 6.313 -2.692 2.852 551 H LYS 989 H LYS 989 9.310 -5.758 -1.472 552 HA LYS 989 HA LYS 989 11.121 -3.903 -0.409 553 1HB LYS 989 HB1 LYS 989 11.654 -5.934 -1.802 554 2HB LYS 989 HB2 LYS 989 11.124 -5.034 -3.213 555 1HG LYS 989 HG1 LYS 989 12.905 -3.418 -2.880 556 2HG LYS 989 HG2 LYS 989 13.415 -4.261 -1.416 557 1HD LYS 989 HD1 LYS 989 13.455 -5.346 -4.234 558 2HD LYS 989 HD2 LYS 989 14.852 -4.905 -3.250 559 1HE LYS 989 HE1 LYS 989 14.240 -6.665 -1.636 560 2HE LYS 989 HE2 LYS 989 12.887 -7.124 -2.670 561 1HZ LYS 989 HZ1 LYS 989 14.510 -7.600 -4.441 562 2HZ LYS 989 HZ2 LYS 989 15.772 -7.262 -3.357 563 3HZ LYS 989 HZ3 LYS 989 14.741 -8.577 -3.070 564 H LEU 990 H LEU 990 8.961 -3.791 -3.172 565 HA LEU 990 HA LEU 990 9.743 -1.196 -4.055 566 1HB LEU 990 HB1 LEU 990 8.758 -2.050 -5.853 567 2HB LEU 990 HB2 LEU 990 8.095 -3.368 -4.915 568 HG LEU 990 HG LEU 990 6.208 -1.707 -4.317 569 1HD1 LEU 990 1HD1 LEU 990 7.313 0.303 -5.210 570 2HD1 LEU 990 2HD1 LEU 990 7.316 -0.414 -6.823 571 3HD1 LEU 990 3HD1 LEU 990 5.789 -0.013 -6.037 572 1HD2 LEU 990 1HD2 LEU 990 6.517 -2.821 -7.097 573 2HD2 LEU 990 2HD2 LEU 990 5.916 -3.680 -5.679 574 3HD2 LEU 990 3HD2 LEU 990 4.999 -2.331 -6.345 575 H LEU 991 H LEU 991 7.234 -2.439 -1.907 576 HA LEU 991 HA LEU 991 5.626 -0.135 -1.659 577 1HB LEU 991 HB1 LEU 991 6.276 -2.113 0.529 578 2HB LEU 991 HB2 LEU 991 4.900 -1.032 0.475 579 HG LEU 991 HG LEU 991 5.286 -3.190 -1.573 580 1HD1 LEU 991 1HD1 LEU 991 3.804 -4.582 -0.195 581 2HD1 LEU 991 2HD1 LEU 991 5.313 -4.229 0.647 582 3HD1 LEU 991 3HD1 LEU 991 3.839 -3.362 1.077 583 1HD2 LEU 991 1HD2 LEU 991 2.857 -2.982 -1.761 584 2HD2 LEU 991 2HD2 LEU 991 2.870 -1.719 -0.531 585 3HD2 LEU 991 3HD2 LEU 991 3.660 -1.446 -2.081 586 H ASN 992 H ASN 992 8.377 -1.310 0.193 587 HA ASN 992 HA ASN 992 8.379 0.628 2.190 588 1HB ASN 992 HB1 ASN 992 9.670 -1.481 2.285 589 2HB ASN 992 HB2 ASN 992 10.753 -0.859 1.044 590 1HD2 ASN 992 2HD2 ASN 992 9.749 -0.611 4.361 591 2HD2 ASN 992 1HD2 ASN 992 11.095 0.321 4.910 592 H SER 993 H SER 993 9.950 0.578 -0.973 593 HA SER 993 HA SER 993 11.328 3.038 -0.541 594 1HB SER 993 HB1 SER 993 11.725 2.847 -3.060 595 2HB SER 993 HB2 SER 993 12.362 1.552 -2.047 596 HG SER 993 HG SER 993 9.775 1.294 -3.124 597 H ASP 994 H ASP 994 8.155 2.227 -1.879 598 HA ASP 994 HA ASP 994 8.070 4.843 -3.180 599 1HB ASP 994 HB1 ASP 994 6.561 2.326 -3.553 600 2HB ASP 994 HB2 ASP 994 5.715 3.830 -3.914 601 H LEU 995 H LEU 995 6.172 3.060 -0.730 602 HA LEU 995 HA LEU 995 4.480 5.195 -0.042 603 1HB LEU 995 HB1 LEU 995 3.939 3.071 0.855 604 2HB LEU 995 HB2 LEU 995 5.551 2.824 1.479 605 HG LEU 995 HG LEU 995 3.650 3.188 3.136 606 1HD1 LEU 995 1HD1 LEU 995 5.058 4.402 4.693 607 2HD1 LEU 995 2HD1 LEU 995 5.993 3.221 3.775 608 3HD1 LEU 995 3HD1 LEU 995 6.088 4.933 3.363 609 1HD2 LEU 995 1HD2 LEU 995 4.001 6.033 2.221 610 2HD2 LEU 995 2HD2 LEU 995 2.536 5.056 2.123 611 3HD2 LEU 995 3HD2 LEU 995 3.168 5.545 3.696 612 H ALA 996 H ALA 996 7.744 4.374 0.913 613 HA ALA 996 HA ALA 996 8.206 6.302 2.853 614 1HB ALA 996 HB1 ALA 996 9.816 4.535 2.313 615 2HB ALA 996 HB2 ALA 996 10.209 5.368 0.808 616 3HB ALA 996 HB3 ALA 996 10.572 6.128 2.359 617 H GLU 997 H GLU 997 8.749 6.669 -0.673 618 HA GLU 997 HA GLU 997 9.583 9.301 -0.588 619 1HB GLU 997 HB1 GLU 997 7.882 8.051 -2.736 620 2HB GLU 997 HB2 GLU 997 8.843 9.520 -2.891 621 1HG GLU 997 HG1 GLU 997 9.934 6.789 -2.291 622 2HG GLU 997 HG2 GLU 997 9.923 7.551 -3.883 623 H LEU 998 H LEU 998 6.286 8.030 -0.512 624 HA LEU 998 HA LEU 998 5.126 10.610 -0.963 625 1HB LEU 998 HB1 LEU 998 3.999 8.384 -1.415 626 2HB LEU 998 HB2 LEU 998 3.777 8.237 0.319 627 HG LEU 998 HG LEU 998 2.331 10.151 0.375 628 1HD1 LEU 998 1HD1 LEU 998 1.778 11.436 -1.619 629 2HD1 LEU 998 2HD1 LEU 998 3.502 11.534 -1.263 630 3HD1 LEU 998 3HD1 LEU 998 2.929 10.486 -2.561 631 1HD2 LEU 998 1HD2 LEU 998 1.633 8.396 -1.970 632 2HD2 LEU 998 2HD2 LEU 998 1.297 8.046 -0.275 633 3HD2 LEU 998 3HD2 LEU 998 0.510 9.410 -1.067 634 H ILE 999 H ILE 999 6.175 8.751 1.778 635 HA ILE 999 HA ILE 999 5.108 10.363 3.846 636 HB ILE 999 HB ILE 999 7.647 8.727 3.750 637 1HG1 ILE 999 1HG1 ILE 999 4.943 8.259 5.024 638 2HG1 ILE 999 2HG1 ILE 999 5.610 7.410 3.634 639 1HG2 ILE 999 1HG2 ILE 999 7.759 8.953 6.190 640 2HG2 ILE 999 2HG2 ILE 999 7.947 10.508 5.380 641 3HG2 ILE 999 3HG2 ILE 999 6.413 10.092 6.144 642 1HD1 ILE 999 1HD1 ILE 999 5.744 6.065 5.653 643 2HD1 ILE 999 2HD1 ILE 999 7.351 6.459 5.043 644 3HD1 ILE 999 3HD1 ILE 999 6.702 7.322 6.437 645 H ASN1000 H ASN1000 7.946 10.675 1.816 646 HA ASN1000 HA ASN1000 8.787 13.142 3.149 647 1HB ASN1000 HB1 ASN1000 9.909 11.639 0.762 648 2HB ASN1000 HB2 ASN1000 10.593 13.130 1.400 649 1HD2 ASN1000 2HD2 ASN1000 10.095 9.735 1.946 650 2HD2 ASN1000 1HD2 ASN1000 11.238 9.572 3.233 651 H LYS1001 H LYS1001 6.538 12.278 0.877 652 HA LYS1001 HA LYS1001 6.774 14.753 -0.625 653 1HB LYS1001 HB1 LYS1001 5.261 12.281 -0.983 654 2HB LYS1001 HB2 LYS1001 4.313 13.727 -1.308 655 1HG LYS1001 HG1 LYS1001 5.320 12.983 -3.348 656 2HG LYS1001 HG2 LYS1001 6.083 14.496 -2.855 657 1HD LYS1001 HD1 LYS1001 7.972 13.242 -1.936 658 2HD LYS1001 HD2 LYS1001 7.204 11.728 -2.416 659 1HE LYS1001 HE1 LYS1001 8.759 12.161 -4.107 660 2HE LYS1001 HE2 LYS1001 7.213 12.670 -4.782 661 1HZ LYS1001 HZ1 LYS1001 8.702 14.371 -5.303 662 2HZ LYS1001 HZ2 LYS1001 7.848 14.973 -3.967 663 3HZ LYS1001 HZ3 LYS1001 9.416 14.361 -3.765 664 H MET1002 H MET1002 4.778 13.363 1.924 665 HA MET1002 HA MET1002 3.150 15.692 2.228 666 1HB MET1002 HB1 MET1002 2.433 14.719 4.320 667 2HB MET1002 HB2 MET1002 2.496 13.441 3.116 668 1HG MET1002 HG1 MET1002 4.666 12.725 4.020 669 2HG MET1002 HG2 MET1002 4.546 13.977 5.252 670 1HE MET1002 HE1 MET1002 4.861 12.319 7.245 671 2HE MET1002 HE2 MET1002 3.976 10.803 7.421 672 3HE MET1002 HE3 MET1002 5.114 11.012 6.090 673 H LYS1003 H LYS1003 6.112 14.406 3.490 674 HA LYS1003 HA LYS1003 6.755 16.380 5.357 675 1HB LYS1003 HB1 LYS1003 7.883 14.181 5.088 676 2HB LYS1003 HB2 LYS1003 8.579 14.743 3.579 677 1HG LYS1003 HG1 LYS1003 9.792 16.483 4.822 678 2HG LYS1003 HG2 LYS1003 9.137 15.825 6.327 679 1HD LYS1003 HD1 LYS1003 10.155 13.640 5.764 680 2HD LYS1003 HD2 LYS1003 10.884 14.379 4.338 681 1HE LYS1003 HE1 LYS1003 12.071 15.963 5.818 682 2HE LYS1003 HE2 LYS1003 11.402 15.114 7.214 683 1HZ LYS1003 HZ1 LYS1003 13.580 14.281 6.819 684 2HZ LYS1003 HZ2 LYS1003 12.494 13.071 6.338 685 3HZ LYS1003 HZ3 LYS1003 13.263 14.031 5.171 686 H LEU1004 H LEU1004 7.918 15.991 2.002 687 HA LEU1004 HA LEU1004 9.011 18.528 1.781 688 1HB LEU1004 HB1 LEU1004 8.451 16.303 -0.006 689 2HB LEU1004 HB2 LEU1004 8.383 17.862 -0.809 690 HG LEU1004 HG LEU1004 10.658 18.373 -0.079 691 1HD1 LEU1004 1HD1 LEU1004 10.611 15.640 1.190 692 2HD1 LEU1004 2HD1 LEU1004 12.030 16.673 1.027 693 3HD1 LEU1004 3HD1 LEU1004 10.679 17.184 2.040 694 1HD2 LEU1004 1HD2 LEU1004 10.391 17.247 -2.197 695 2HD2 LEU1004 2HD2 LEU1004 11.846 16.662 -1.389 696 3HD2 LEU1004 3HD2 LEU1004 10.382 15.678 -1.393 697 H ALA1005 H ALA1005 5.688 17.518 1.005 698 HA ALA1005 HA ALA1005 4.956 19.915 -0.298 699 1HB ALA1005 HB1 ALA1005 3.552 17.900 -0.349 700 2HB ALA1005 HB2 ALA1005 3.207 18.105 1.368 701 3HB ALA1005 HB3 ALA1005 2.649 19.309 0.207 702 H GLN1006 H GLN1006 4.712 18.890 3.066 703 HA GLN1006 HA GLN1006 3.847 21.459 3.988 704 1HB GLN1006 HB1 GLN1006 3.549 20.413 6.009 705 2HB GLN1006 HB2 GLN1006 3.558 19.000 4.960 706 1HG GLN1006 HG1 GLN1006 5.105 18.167 6.296 707 2HG GLN1006 HG2 GLN1006 6.219 19.344 5.599 708 1HE2 GLN1006 2HE2 GLN1006 6.163 18.189 8.283 709 2HE2 GLN1006 1HE2 GLN1006 6.050 19.529 9.369 710 H GLN1007 H GLN1007 6.728 20.211 2.934 711 HA GLN1007 HA GLN1007 8.503 21.796 4.582 712 1HB GLN1007 HB1 GLN1007 8.752 19.390 3.325 713 2HB GLN1007 HB2 GLN1007 9.481 20.466 2.145 714 1HG GLN1007 HG1 GLN1007 11.116 19.450 3.628 715 2HG GLN1007 HG2 GLN1007 11.099 21.211 3.781 716 1HE2 GLN1007 2HE2 GLN1007 8.578 19.238 5.165 717 2HE2 GLN1007 1HE2 GLN1007 9.059 19.439 6.823 718 H TYR1008 H TYR1008 6.773 22.027 1.659 719 HA TYR1008 HA TYR1008 8.438 24.267 0.692 720 1HB TYR1008 HB1 TYR1008 8.407 22.248 -0.757 721 2HB TYR1008 HB2 TYR1008 6.661 22.371 -0.863 722 HD1 TYR1008 HD1 TYR1008 5.704 23.483 -2.651 723 HD2 TYR1008 HD2 TYR1008 9.756 24.309 -1.627 724 HE1 TYR1008 HE1 TYR1008 5.942 24.835 -4.692 725 HE2 TYR1008 HE2 TYR1008 9.996 25.671 -3.658 726 HH TYR1008 HH TYR1008 8.940 25.829 -5.888 727 H VAL1009 H VAL1009 5.756 23.662 2.345 728 HA VAL1009 HA VAL1009 3.596 24.818 1.131 729 HB VAL1009 HB VAL1009 3.365 23.699 3.247 730 1HG1 VAL1009 1HG1 VAL1009 4.089 24.725 5.362 731 2HG1 VAL1009 2HG1 VAL1009 5.443 24.298 4.315 732 3HG1 VAL1009 3HG1 VAL1009 4.927 25.979 4.447 733 1HG2 VAL1009 1HG2 VAL1009 1.658 25.341 2.683 734 2HG2 VAL1009 2HG2 VAL1009 1.906 25.276 4.427 735 3HG2 VAL1009 3HG2 VAL1009 2.587 26.605 3.488 736 H MET1010 H MET1010 3.770 26.621 -0.052 737 HA MET1010 HA MET1010 4.137 29.097 1.430 738 1HB MET1010 HB1 MET1010 6.372 28.592 0.532 739 2HB MET1010 HB2 MET1010 5.696 28.503 -1.089 740 1HG MET1010 HG1 MET1010 5.147 30.832 -1.056 741 2HG MET1010 HG2 MET1010 5.614 30.962 0.639 742 1HE MET1010 HE1 MET1010 7.475 28.908 -2.154 743 2HE MET1010 HE2 MET1010 6.881 30.323 -3.023 744 3HE MET1010 HE3 MET1010 8.612 30.111 -2.767 745 H THR1011 H THR1011 2.305 30.049 1.132 746 HA THR1011 HA THR1011 0.471 30.977 0.212 747 HB THR1011 HB THR1011 0.878 32.354 -1.822 748 HG1 THR1011 HG1 THR1011 2.928 32.342 -2.762 749 1HG2 THR1011 1HG2 THR1011 2.556 33.813 -0.781 750 2HG2 THR1011 2HG2 THR1011 1.385 33.225 0.398 751 3HG2 THR1011 3HG2 THR1011 2.995 32.510 0.326 752 H SER1012 H SER1012 1.368 30.600 -3.057 753 HA SER1012 HA SER1012 -0.686 28.514 -3.387 754 1HB SER1012 HB1 SER1012 -1.352 30.918 -4.015 755 2HB SER1012 HB2 SER1012 -0.222 30.755 -5.359 756 HG SER1012 HG SER1012 -2.587 29.289 -4.839 757 H LEU1013 H LEU1013 2.486 29.185 -3.623 758 HA LEU1013 HA LEU1013 2.994 28.076 -6.253 759 1HB LEU1013 HB1 LEU1013 4.372 29.913 -5.194 760 2HB LEU1013 HB2 LEU1013 4.997 28.710 -4.084 761 HG LEU1013 HG LEU1013 5.974 27.466 -5.961 762 1HD1 LEU1013 1HD1 LEU1013 5.992 28.429 -8.202 763 2HD1 LEU1013 2HD1 LEU1013 4.349 28.072 -7.675 764 3HD1 LEU1013 3HD1 LEU1013 4.939 29.734 -7.657 765 1HD2 LEU1013 1HD2 LEU1013 7.709 29.089 -6.564 766 2HD2 LEU1013 2HD2 LEU1013 6.707 30.392 -5.924 767 3HD2 LEU1013 3HD2 LEU1013 7.329 29.145 -4.842 768 H GLN1014 H GLN1014 2.327 26.893 -3.213 769 HA GLN1014 HA GLN1014 4.030 24.683 -2.948 770 1HB GLN1014 HB1 GLN1014 2.192 25.731 -1.343 771 2HB GLN1014 HB2 GLN1014 1.182 24.482 -2.055 772 1HG GLN1014 HG1 GLN1014 3.836 23.926 -0.759 773 2HG GLN1014 HG2 GLN1014 2.304 23.890 0.107 774 1HE2 GLN1014 2HE2 GLN1014 0.707 22.670 -1.851 775 2HE2 GLN1014 1HE2 GLN1014 1.265 21.058 -2.084 776 H GLN1015 H GLN1015 1.458 25.280 -5.124 777 HA GLN1015 HA GLN1015 0.404 22.734 -5.507 778 1HB GLN1015 HB1 GLN1015 -0.276 23.519 -7.751 779 2HB GLN1015 HB2 GLN1015 -0.697 24.634 -6.461 780 1HG GLN1015 HG1 GLN1015 1.224 26.029 -7.047 781 2HG GLN1015 HG2 GLN1015 1.630 24.912 -8.350 782 1HE2 GLN1015 2HE2 GLN1015 0.897 27.757 -8.429 783 2HE2 GLN1015 1HE2 GLN1015 -0.473 27.859 -9.477 784 H GLU1016 H GLU1016 3.262 24.199 -7.014 785 HA GLU1016 HA GLU1016 4.118 22.216 -8.641 786 1HB GLU1016 HB1 GLU1016 5.402 24.260 -8.215 787 2HB GLU1016 HB2 GLU1016 5.867 23.640 -6.635 788 1HG GLU1016 HG1 GLU1016 7.087 21.838 -7.645 789 2HG GLU1016 HG2 GLU1016 6.527 22.307 -9.247 790 H TYR1017 H TYR1017 4.586 22.180 -5.090 791 HA TYR1017 HA TYR1017 5.674 19.510 -5.216 792 1HB TYR1017 HB1 TYR1017 5.289 21.529 -3.068 793 2HB TYR1017 HB2 TYR1017 5.275 19.833 -2.574 794 HD1 TYR1017 HD1 TYR1017 7.268 21.082 -5.413 795 HD2 TYR1017 HD2 TYR1017 7.347 19.923 -1.303 796 HE1 TYR1017 HE1 TYR1017 9.723 21.022 -5.481 797 HE2 TYR1017 HE2 TYR1017 9.803 19.855 -1.378 798 HH TYR1017 HH TYR1017 11.599 19.602 -3.031 799 H LYS1018 H LYS1018 2.583 20.896 -5.012 800 HA LYS1018 HA LYS1018 1.166 18.691 -3.912 801 1HB LYS1018 HB1 LYS1018 0.095 20.847 -4.099 802 2HB LYS1018 HB2 LYS1018 0.355 20.881 -5.833 803 1HG LYS1018 HG1 LYS1018 -1.188 18.922 -6.022 804 2HG LYS1018 HG2 LYS1018 -1.545 19.118 -4.303 805 1HD LYS1018 HD1 LYS1018 -2.337 21.384 -4.707 806 2HD LYS1018 HD2 LYS1018 -1.922 21.245 -6.415 807 1HE LYS1018 HE1 LYS1018 -4.292 20.933 -6.152 808 2HE LYS1018 HE2 LYS1018 -3.561 19.400 -6.619 809 1HZ LYS1018 HZ1 LYS1018 -5.288 19.491 -4.712 810 2HZ LYS1018 HZ2 LYS1018 -3.925 18.495 -4.556 811 3HZ LYS1018 HZ3 LYS1018 -3.976 20.002 -3.769 812 H LYS1019 H LYS1019 2.291 19.545 -7.137 813 HA LYS1019 HA LYS1019 1.082 17.364 -8.502 814 1HB LYS1019 HB1 LYS1019 3.631 18.812 -9.258 815 2HB LYS1019 HB2 LYS1019 2.578 17.900 -10.331 816 1HG LYS1019 HG1 LYS1019 1.876 20.469 -8.927 817 2HG LYS1019 HG2 LYS1019 2.289 20.288 -10.633 818 1HD LYS1019 HD1 LYS1019 0.325 18.943 -11.011 819 2HD LYS1019 HD2 LYS1019 -0.049 18.946 -9.286 820 1HE LYS1019 HE1 LYS1019 -1.444 20.538 -10.509 821 2HE LYS1019 HE2 LYS1019 -0.398 21.351 -9.348 822 1HZ LYS1019 HZ1 LYS1019 -0.489 22.493 -11.499 823 2HZ LYS1019 HZ2 LYS1019 1.084 21.969 -11.133 824 3HZ LYS1019 HZ3 LYS1019 0.150 21.116 -12.261 825 H GLN1020 H GLN1020 4.458 17.918 -7.571 826 HA GLN1020 HA GLN1020 5.523 15.424 -7.791 827 1HB GLN1020 HB1 GLN1020 6.036 17.106 -5.336 828 2HB GLN1020 HB2 GLN1020 7.136 15.982 -6.122 829 1HG GLN1020 HG1 GLN1020 6.224 18.662 -7.133 830 2HG GLN1020 HG2 GLN1020 7.841 18.200 -6.613 831 1HE2 GLN1020 2HE2 GLN1020 6.918 19.324 -9.127 832 2HE2 GLN1020 1HE2 GLN1020 7.416 18.224 -10.364 833 H MET1021 H MET1021 3.464 16.579 -5.159 834 HA MET1021 HA MET1021 3.531 14.345 -3.489 835 1HB MET1021 HB1 MET1021 2.493 16.432 -2.802 836 2HB MET1021 HB2 MET1021 1.271 16.277 -4.055 837 1HG MET1021 HG1 MET1021 0.581 14.126 -2.895 838 2HG MET1021 HG2 MET1021 1.594 14.659 -1.554 839 1HE MET1021 HE1 MET1021 1.151 16.886 -0.160 840 2HE MET1021 HE2 MET1021 1.189 17.813 -1.660 841 3HE MET1021 HE3 MET1021 -0.147 18.022 -0.529 842 H LEU1022 H LEU1022 1.110 15.140 -5.978 843 HA LEU1022 HA LEU1022 -0.289 12.717 -5.847 844 1HB LEU1022 HB1 LEU1022 -1.138 14.778 -6.905 845 2HB LEU1022 HB2 LEU1022 0.017 14.577 -8.207 846 HG LEU1022 HG LEU1022 -1.097 12.476 -8.863 847 1HD1 LEU1022 1HD1 LEU1022 -3.109 13.196 -6.733 848 2HD1 LEU1022 2HD1 LEU1022 -3.244 11.870 -7.888 849 3HD1 LEU1022 3HD1 LEU1022 -1.976 11.845 -6.663 850 1HD2 LEU1022 1HD2 LEU1022 -2.952 14.844 -8.648 851 2HD2 LEU1022 2HD2 LEU1022 -1.746 14.586 -9.909 852 3HD2 LEU1022 3HD2 LEU1022 -3.125 13.494 -9.768 853 H THR1023 H THR1023 2.531 13.673 -7.697 854 HA THR1023 HA THR1023 2.712 11.479 -9.433 855 HB THR1023 HB THR1023 4.975 13.090 -8.227 856 HG1 THR1023 HG1 THR1023 3.267 14.264 -9.399 857 1HG2 THR1023 1HG2 THR1023 4.861 11.441 -10.757 858 2HG2 THR1023 2HG2 THR1023 6.214 12.450 -10.246 859 3HG2 THR1023 3HG2 THR1023 5.761 11.034 -9.297 860 H ALA1024 H ALA1024 3.846 11.926 -6.119 861 HA ALA1024 HA ALA1024 5.144 9.352 -6.034 862 1HB ALA1024 HB1 ALA1024 5.974 11.219 -4.689 863 2HB ALA1024 HB2 ALA1024 4.462 11.230 -3.780 864 3HB ALA1024 HB3 ALA1024 5.537 9.833 -3.690 865 H ALA1025 H ALA1025 2.049 10.721 -5.132 866 HA ALA1025 HA ALA1025 1.073 8.524 -3.653 867 1HB ALA1025 HB1 ALA1025 -0.003 10.734 -3.642 868 2HB ALA1025 HB2 ALA1025 -0.492 10.500 -5.321 869 3HB ALA1025 HB3 ALA1025 -1.141 9.454 -4.058 870 H HIS1026 H HIS1026 0.931 9.342 -7.096 871 HA HIS1026 HA HIS1026 -0.451 7.036 -7.938 872 1HB HIS1026 HB1 HIS1026 -0.215 8.905 -9.450 873 2HB HIS1026 HB2 HIS1026 1.541 8.807 -9.378 874 HD1 HIS1026 HD1 HIS1026 2.354 8.015 -11.571 875 HD2 HIS1026 HD2 HIS1026 -1.099 6.012 -10.397 876 HE1 HIS1026 HE1 HIS1026 1.905 6.321 -13.372 877 HE2 HIS1026 HE2 HIS1026 -0.135 5.055 -12.599 878 H ALA1027 H ALA1027 2.960 7.707 -7.394 879 HA ALA1027 HA ALA1027 3.970 5.284 -8.437 880 1HB ALA1027 HB1 ALA1027 5.339 7.289 -8.075 881 2HB ALA1027 HB2 ALA1027 5.173 7.079 -6.331 882 3HB ALA1027 HB3 ALA1027 6.027 5.868 -7.287 883 H LEU1028 H LEU1028 3.122 6.272 -5.118 884 HA LEU1028 HA LEU1028 3.765 3.722 -4.024 885 1HB LEU1028 HB1 LEU1028 3.815 5.030 -2.228 886 2HB LEU1028 HB2 LEU1028 2.871 6.281 -2.983 887 HG LEU1028 HG LEU1028 1.579 3.832 -1.771 888 1HD1 LEU1028 1HD1 LEU1028 2.241 6.426 -0.396 889 2HD1 LEU1028 2HD1 LEU1028 1.256 5.124 0.270 890 3HD1 LEU1028 3HD1 LEU1028 2.968 4.856 -0.059 891 1HD2 LEU1028 1HD2 LEU1028 -0.358 5.299 -1.568 892 2HD2 LEU1028 2HD2 LEU1028 0.566 6.642 -2.239 893 3HD2 LEU1028 3HD2 LEU1028 0.190 5.243 -3.245 894 H ALA1029 H ALA1029 0.860 5.152 -5.367 895 HA ALA1029 HA ALA1029 -0.947 3.134 -4.725 896 1HB ALA1029 HB1 ALA1029 -0.780 4.618 -7.353 897 2HB ALA1029 HB2 ALA1029 -2.187 3.755 -6.730 898 3HB ALA1029 HB3 ALA1029 -1.597 5.196 -5.902 899 H VAL1030 H VAL1030 1.382 3.321 -7.405 900 HA VAL1030 HA VAL1030 0.960 0.829 -8.515 901 HB VAL1030 HB VAL1030 3.600 2.288 -8.287 902 1HG1 VAL1030 1HG1 VAL1030 4.194 1.088 -10.340 903 2HG1 VAL1030 2HG1 VAL1030 3.887 -0.020 -9.002 904 3HG1 VAL1030 3HG1 VAL1030 2.671 0.204 -10.259 905 1HG2 VAL1030 1HG2 VAL1030 1.453 2.452 -10.401 906 2HG2 VAL1030 2HG2 VAL1030 1.886 3.715 -9.248 907 3HG2 VAL1030 3HG2 VAL1030 3.040 3.218 -10.486 908 H ASP1031 H ASP1031 2.679 1.598 -5.521 909 HA ASP1031 HA ASP1031 3.848 -1.043 -5.443 910 1HB ASP1031 HB1 ASP1031 4.806 -0.538 -3.326 911 2HB ASP1031 HB2 ASP1031 4.985 0.886 -4.324 912 H ALA1032 H ALA1032 1.085 0.577 -3.972 913 HA ALA1032 HA ALA1032 0.136 -1.512 -2.362 914 1HB ALA1032 HB1 ALA1032 -1.428 0.556 -3.902 915 2HB ALA1032 HB2 ALA1032 -2.040 -0.417 -2.564 916 3HB ALA1032 HB3 ALA1032 -0.753 0.757 -2.286 917 H LYS1033 H LYS1033 -0.600 -0.730 -5.772 918 HA LYS1033 HA LYS1033 -2.529 -2.777 -6.011 919 1HB LYS1033 HB1 LYS1033 -2.647 -2.242 -8.335 920 2HB LYS1033 HB2 LYS1033 -2.480 -0.751 -7.427 921 1HG LYS1033 HG1 LYS1033 -0.059 -0.747 -8.001 922 2HG LYS1033 HG2 LYS1033 -0.357 -2.150 -9.032 923 1HD LYS1033 HD1 LYS1033 -2.094 -0.779 -10.222 924 2HD LYS1033 HD2 LYS1033 -1.521 0.615 -9.308 925 1HE LYS1033 HE1 LYS1033 -0.481 0.623 -11.471 926 2HE LYS1033 HE2 LYS1033 0.740 0.246 -10.254 927 1HZ LYS1033 HZ1 LYS1033 -0.675 -1.914 -11.687 928 2HZ LYS1033 HZ2 LYS1033 0.657 -1.136 -12.397 929 3HZ LYS1033 HZ3 LYS1033 0.842 -1.956 -10.923 930 H ASN1034 H ASN1034 0.947 -2.791 -6.610 931 HA ASN1034 HA ASN1034 0.883 -5.275 -8.045 932 1HB ASN1034 HB1 ASN1034 2.771 -3.622 -8.210 933 2HB ASN1034 HB2 ASN1034 3.250 -4.092 -6.580 934 1HD2 ASN1034 2HD2 ASN1034 5.220 -4.907 -7.232 935 2HD2 ASN1034 1HD2 ASN1034 5.379 -6.364 -8.138 936 H LEU1035 H LEU1035 1.172 -4.316 -4.701 937 HA LEU1035 HA LEU1035 1.993 -6.948 -3.771 938 1HB LEU1035 HB1 LEU1035 2.715 -5.057 -2.462 939 2HB LEU1035 HB2 LEU1035 1.071 -4.434 -2.345 940 HG LEU1035 HG LEU1035 0.592 -6.682 -1.111 941 1HD1 LEU1035 1HD1 LEU1035 3.569 -6.425 -0.728 942 2HD1 LEU1035 2HD1 LEU1035 2.503 -7.506 0.168 943 3HD1 LEU1035 3HD1 LEU1035 2.734 -7.734 -1.565 944 1HD2 LEU1035 1HD2 LEU1035 1.154 -5.622 1.005 945 2HD2 LEU1035 2HD2 LEU1035 2.176 -4.462 0.157 946 3HD2 LEU1035 3HD2 LEU1035 0.435 -4.472 -0.121 947 H LEU1036 H LEU1036 -1.041 -5.171 -4.155 948 HA LEU1036 HA LEU1036 -2.580 -6.943 -2.577 949 1HB LEU1036 HB1 LEU1036 -4.559 -5.979 -3.565 950 2HB LEU1036 HB2 LEU1036 -3.434 -4.727 -3.101 951 HG LEU1036 HG LEU1036 -2.763 -4.710 -5.609 952 1HD1 LEU1036 1HD1 LEU1036 -5.500 -5.965 -5.804 953 2HD1 LEU1036 2HD1 LEU1036 -4.531 -5.351 -7.144 954 3HD1 LEU1036 3HD1 LEU1036 -3.982 -6.757 -6.230 955 1HD2 LEU1036 1HD2 LEU1036 -5.446 -3.705 -4.673 956 2HD2 LEU1036 2HD2 LEU1036 -3.896 -2.891 -4.458 957 3HD2 LEU1036 3HD2 LEU1036 -4.556 -3.114 -6.079 958 H ASP1037 H ASP1037 -1.408 -7.023 -5.802 959 HA ASP1037 HA ASP1037 -2.800 -9.451 -6.503 960 1HB ASP1037 HB1 ASP1037 -2.007 -7.896 -8.242 961 2HB ASP1037 HB2 ASP1037 -0.346 -8.146 -7.717 962 H VAL1038 H VAL1038 0.358 -8.523 -5.300 963 HA VAL1038 HA VAL1038 1.715 -10.914 -5.163 964 HB VAL1038 HB VAL1038 1.730 -8.441 -3.480 965 1HG1 VAL1038 1HG1 VAL1038 2.270 -10.188 -1.895 966 2HG1 VAL1038 2HG1 VAL1038 3.484 -10.839 -2.994 967 3HG1 VAL1038 3HG1 VAL1038 3.708 -9.243 -2.278 968 1HG2 VAL1038 1HG2 VAL1038 3.972 -8.205 -4.454 969 2HG2 VAL1038 2HG2 VAL1038 3.734 -9.717 -5.328 970 3HG2 VAL1038 3HG2 VAL1038 2.712 -8.325 -5.682 971 H ILE1039 H ILE1039 0.021 -9.488 -2.408 972 HA ILE1039 HA ILE1039 0.135 -11.919 -0.921 973 HB ILE1039 HB ILE1039 -1.421 -10.608 0.686 974 1HG1 ILE1039 1HG1 ILE1039 -1.187 -8.161 0.502 975 2HG1 ILE1039 2HG1 ILE1039 -0.397 -8.356 -1.055 976 1HG2 ILE1039 1HG2 ILE1039 1.398 -9.726 0.099 977 2HG2 ILE1039 2HG2 ILE1039 0.532 -9.454 1.611 978 3HG2 ILE1039 3HG2 ILE1039 0.915 -11.098 1.097 979 1HD1 ILE1039 1HD1 ILE1039 -3.237 -9.082 -0.403 980 2HD1 ILE1039 2HD1 ILE1039 -2.698 -7.676 -1.321 981 3HD1 ILE1039 3HD1 ILE1039 -2.455 -9.299 -1.969 982 H ASP1040 H ASP1040 -2.417 -10.342 -2.803 983 HA ASP1040 HA ASP1040 -4.531 -12.050 -2.377 984 1HB ASP1040 HB1 ASP1040 -4.478 -10.267 -4.130 985 2HB ASP1040 HB2 ASP1040 -3.426 -11.286 -5.100 986 H GLN1041 H GLN1041 -1.649 -12.517 -4.273 987 HA GLN1041 HA GLN1041 -2.161 -15.290 -4.772 988 1HB GLN1041 HB1 GLN1041 0.287 -13.600 -5.196 989 2HB GLN1041 HB2 GLN1041 0.250 -15.330 -5.512 990 1HG GLN1041 HG1 GLN1041 -1.550 -14.985 -7.139 991 2HG GLN1041 HG2 GLN1041 -1.480 -13.248 -6.838 992 1HE2 GLN1041 2HE2 GLN1041 0.236 -12.064 -7.628 993 2HE2 GLN1041 1HE2 GLN1041 1.347 -12.695 -8.793 994 H ALA1042 H ALA1042 -0.354 -13.458 -2.301 995 HA ALA1042 HA ALA1042 1.141 -15.429 -1.176 996 1HB ALA1042 HB1 ALA1042 0.905 -14.280 0.948 997 2HB ALA1042 HB2 ALA1042 1.091 -13.124 -0.371 998 3HB ALA1042 HB3 ALA1042 -0.499 -13.409 0.333 999 H ARG1043 H ARG1043 -2.179 -14.669 -0.146 1000 HA ARG1043 HA ARG1043 -2.584 -16.980 1.357 1001 1HB ARG1043 HB1 ARG1043 -4.206 -14.850 0.339 1002 2HB ARG1043 HB2 ARG1043 -5.056 -16.377 0.141 1003 1HG ARG1043 HG1 ARG1043 -5.594 -15.292 2.266 1004 2HG ARG1043 HG2 ARG1043 -4.821 -16.859 2.499 1005 1HD ARG1043 HD1 ARG1043 -2.850 -15.919 3.270 1006 2HD ARG1043 HD2 ARG1043 -3.166 -14.370 2.485 1007 HE ARG1043 HE ARG1043 -5.077 -14.276 4.234 1008 1HH1 ARG1043 2HH1 ARG1043 -1.924 -15.683 4.833 1009 2HH1 ARG1043 1HH1 ARG1043 -1.916 -15.244 6.514 1010 1HH2 ARG1043 2HH2 ARG1043 -5.075 -13.690 6.407 1011 2HH2 ARG1043 1HH2 ARG1043 -3.699 -14.065 7.411 1012 H LEU1044 H LEU1044 -2.797 -16.507 -2.119 1013 HA LEU1044 HA LEU1044 -3.832 -19.133 -2.658 1014 1HB LEU1044 HB1 LEU1044 -4.110 -17.220 -4.199 1015 2HB LEU1044 HB2 LEU1044 -2.384 -17.214 -4.483 1016 HG LEU1044 HG LEU1044 -2.588 -19.516 -5.433 1017 1HD1 LEU1044 1HD1 LEU1044 -4.641 -20.186 -4.313 1018 2HD1 LEU1044 2HD1 LEU1044 -5.540 -18.963 -5.212 1019 3HD1 LEU1044 3HD1 LEU1044 -4.804 -20.320 -6.065 1020 1HD2 LEU1044 1HD2 LEU1044 -4.263 -17.387 -6.760 1021 2HD2 LEU1044 2HD2 LEU1044 -2.510 -17.539 -6.868 1022 3HD2 LEU1044 3HD2 LEU1044 -3.546 -18.789 -7.555 1023 H LYS1045 H LYS1045 -0.706 -17.811 -2.019 1024 HA LYS1045 HA LYS1045 0.922 -19.837 -3.148 1025 1HB LYS1045 HB1 LYS1045 1.443 -18.139 -0.691 1026 2HB LYS1045 HB2 LYS1045 2.648 -19.054 -1.569 1027 1HG LYS1045 HG1 LYS1045 1.109 -16.710 -2.628 1028 2HG LYS1045 HG2 LYS1045 2.765 -16.678 -2.028 1029 1HD LYS1045 HD1 LYS1045 3.455 -18.181 -3.820 1030 2HD LYS1045 HD2 LYS1045 1.788 -18.264 -4.404 1031 1HE LYS1045 HE1 LYS1045 1.804 -15.885 -4.873 1032 2HE LYS1045 HE2 LYS1045 3.430 -15.740 -4.213 1033 1HZ LYS1045 HZ1 LYS1045 4.260 -17.128 -5.979 1034 2HZ LYS1045 HZ2 LYS1045 2.695 -17.353 -6.598 1035 3HZ LYS1045 HZ3 LYS1045 3.412 -15.811 -6.635 1036 H MET1046 H MET1046 -0.843 -19.432 -0.198 1037 HA MET1046 HA MET1046 0.177 -21.738 1.131 1038 1HB MET1046 HB1 MET1046 -1.002 -19.830 2.249 1039 2HB MET1046 HB2 MET1046 -2.497 -20.393 1.523 1040 1HG MET1046 HG1 MET1046 -0.842 -22.181 3.253 1041 2HG MET1046 HG2 MET1046 -1.980 -21.031 3.955 1042 1HE MET1046 HE1 MET1046 -4.333 -21.057 1.808 1043 2HE MET1046 HE2 MET1046 -5.393 -22.281 2.503 1044 3HE MET1046 HE3 MET1046 -4.596 -21.108 3.550 1045 H ILE1047 H ILE1047 -2.541 -21.084 -1.003 1046 HA ILE1047 HA ILE1047 -3.613 -23.699 -1.095 1047 HB ILE1047 HB ILE1047 -3.615 -21.564 -3.231 1048 1HG1 ILE1047 1HG1 ILE1047 -4.626 -20.821 -1.142 1049 2HG1 ILE1047 2HG1 ILE1047 -5.861 -21.042 -2.378 1050 1HG2 ILE1047 1HG2 ILE1047 -4.099 -23.758 -4.169 1051 2HG2 ILE1047 2HG2 ILE1047 -5.345 -24.017 -2.947 1052 3HG2 ILE1047 3HG2 ILE1047 -5.548 -22.750 -4.157 1053 1HD1 ILE1047 1HD1 ILE1047 -6.448 -23.203 -1.378 1054 2HD1 ILE1047 2HD1 ILE1047 -5.233 -22.942 -0.127 1055 3HD1 ILE1047 3HD1 ILE1047 -6.630 -21.870 -0.237 1056 H SER1048 H SER1048 -1.069 -22.057 -2.866 1057 HA SER1048 HA SER1048 -0.491 -23.982 -4.790 1058 1HB SER1048 HB1 SER1048 1.339 -22.032 -3.365 1059 2HB SER1048 HB2 SER1048 1.775 -22.925 -4.826 1060 HG SER1048 HG SER1048 -0.555 -21.333 -4.728 1061 H GLN1049 H GLN1049 0.691 -23.656 -1.465 1062 HA GLN1049 HA GLN1049 2.364 -25.975 -1.599 1063 1HB GLN1049 HB1 GLN1049 2.800 -24.118 -0.032 1064 2HB GLN1049 HB2 GLN1049 1.296 -24.480 0.805 1065 1HG GLN1049 HG1 GLN1049 2.220 -26.754 1.294 1066 2HG GLN1049 HG2 GLN1049 3.761 -26.193 0.645 1067 1HE2 GLN1049 2HE2 GLN1049 4.953 -24.667 1.797 1068 2HE2 GLN1049 1HE2 GLN1049 4.631 -24.313 3.464 1069 H SER1050 H SER1050 -0.869 -25.285 -0.326 1070 HA SER1050 HA SER1050 -1.164 -28.085 0.503 1071 1HB SER1050 HB1 SER1050 -3.006 -25.750 1.063 1072 2HB SER1050 HB2 SER1050 -2.997 -27.320 1.865 1073 HG SER1050 HG SER1050 -1.253 -25.149 2.143 1074 H ARG1051 H ARG1051 -1.297 -27.259 -2.312 1075 HA ARG1051 HA ARG1051 -3.843 -26.996 -3.326 1076 1HB ARG1051 HB1 ARG1051 -2.964 -27.941 -5.417 1077 2HB ARG1051 HB2 ARG1051 -1.853 -26.779 -4.709 1078 1HG ARG1051 HG1 ARG1051 -0.505 -28.625 -3.823 1079 2HG ARG1051 HG2 ARG1051 -1.610 -29.778 -4.574 1080 1HD ARG1051 HD1 ARG1051 0.178 -29.599 -6.079 1081 2HD ARG1051 HD2 ARG1051 -1.094 -28.592 -6.768 1082 HE ARG1051 HE ARG1051 0.930 -27.293 -5.103 1083 1HH1 ARG1051 2HH1 ARG1051 -0.474 -27.793 -8.280 1084 2HH1 ARG1051 1HH1 ARG1051 0.534 -26.593 -9.039 1085 1HH2 ARG1051 2HH2 ARG1051 2.272 -25.742 -6.126 1086 2HH2 ARG1051 1HH2 ARG1051 2.069 -25.439 -7.834 1087 HA PRO1052 HA PRO1052 -6.125 -30.513 -2.214 1088 1HB PRO1052 HB1 PRO1052 -7.697 -30.776 -4.477 1089 2HB PRO1052 HB2 PRO1052 -8.009 -29.660 -3.145 1090 1HG PRO1052 HG1 PRO1052 -6.711 -29.146 -5.787 1091 2HG PRO1052 HG2 PRO1052 -7.843 -28.131 -4.875 1092 1HD PRO1052 HD1 PRO1052 -5.215 -27.608 -4.912 1093 2HD PRO1052 HD2 PRO1052 -6.188 -27.349 -3.448 1094 H HIS1053 H HIS1053 -5.297 -32.479 -2.115 1095 HA HIS1053 HA HIS1053 -4.579 -33.846 -4.623 1096 1HB HIS1053 HB1 HIS1053 -3.472 -34.082 -1.834 1097 2HB HIS1053 HB2 HIS1053 -3.295 -35.398 -2.988 1098 HD1 HIS1053 HD1 HIS1053 -2.478 -31.683 -2.782 1099 HD2 HIS1053 HD2 HIS1053 -1.094 -35.190 -4.528 1100 HE1 HIS1053 HE1 HIS1053 -0.298 -31.083 -3.870 1101 HE2 HIS1053 HE2 HIS1053 0.636 -33.278 -4.668 Start of MODEL 24 1 1H ARG 920 H ARG 920 -7.421 -20.677 -2.613 2 HA ARG 920 HA ARG 920 -8.621 -19.781 -0.202 3 1HB ARG 920 HB1 ARG 920 -6.122 -19.881 -0.797 4 2HB ARG 920 HB2 ARG 920 -6.392 -18.345 -1.614 5 1HG ARG 920 HG1 ARG 920 -5.601 -17.849 0.562 6 2HG ARG 920 HG2 ARG 920 -7.327 -17.474 0.541 7 1HD ARG 920 HD1 ARG 920 -7.665 -19.845 1.432 8 2HD ARG 920 HD2 ARG 920 -5.936 -19.829 1.767 9 HE ARG 920 HE ARG 920 -7.157 -17.539 2.887 10 1HH1 ARG 920 2HH1 ARG 920 -7.031 -20.999 3.295 11 2HH1 ARG 920 1HH1 ARG 920 -7.236 -20.940 5.021 12 1HH2 ARG 920 2HH2 ARG 920 -7.441 -17.429 5.171 13 2HH2 ARG 920 1HH2 ARG 920 -7.497 -18.916 6.088 14 H SER 921 H SER 921 -10.107 -18.287 0.078 15 HA SER 921 HA SER 921 -10.677 -16.338 -1.991 16 1HB SER 921 HB1 SER 921 -12.511 -17.374 -0.666 17 2HB SER 921 HB2 SER 921 -11.868 -16.603 0.783 18 HG SER 921 HG SER 921 -13.263 -15.510 -1.362 19 H ASN 922 H ASN 922 -8.754 -15.290 -2.064 20 HA ASN 922 HA ASN 922 -6.842 -14.423 -0.736 21 1HB ASN 922 HB1 ASN 922 -8.103 -11.981 -1.724 22 2HB ASN 922 HB2 ASN 922 -6.586 -12.742 -2.194 23 1HD2 ASN 922 2HD2 ASN 922 -6.699 -14.592 -3.595 24 2HD2 ASN 922 1HD2 ASN 922 -7.971 -14.711 -4.760 25 H ASP 923 H ASP 923 -6.977 -14.589 1.322 26 HA ASP 923 HA ASP 923 -8.675 -13.675 3.211 27 1HB ASP 923 HB1 ASP 923 -6.479 -15.170 3.192 28 2HB ASP 923 HB2 ASP 923 -5.767 -13.695 3.842 29 H LYS 924 H LYS 924 -7.624 -12.293 5.099 30 HA LYS 924 HA LYS 924 -8.106 -9.662 4.843 31 1HB LYS 924 HB1 LYS 924 -7.419 -11.008 6.896 32 2HB LYS 924 HB2 LYS 924 -5.761 -10.632 6.463 33 1HG LYS 924 HG1 LYS 924 -7.665 -8.379 6.692 34 2HG LYS 924 HG2 LYS 924 -7.145 -9.178 8.175 35 1HD LYS 924 HD1 LYS 924 -4.788 -8.802 7.486 36 2HD LYS 924 HD2 LYS 924 -5.377 -7.896 6.088 37 1HE LYS 924 HE1 LYS 924 -4.726 -6.452 7.985 38 2HE LYS 924 HE2 LYS 924 -6.414 -6.268 7.510 39 1HZ LYS 924 HZ1 LYS 924 -6.113 -6.377 9.931 40 2HZ LYS 924 HZ2 LYS 924 -7.083 -7.644 9.357 41 3HZ LYS 924 HZ3 LYS 924 -5.468 -7.936 9.782 42 H VAL 925 H VAL 925 -5.267 -11.243 3.608 43 HA VAL 925 HA VAL 925 -3.590 -9.103 3.082 44 HB VAL 925 HB VAL 925 -2.858 -10.512 1.076 45 1HG1 VAL 925 1HG1 VAL 925 -1.719 -10.605 3.233 46 2HG1 VAL 925 2HG1 VAL 925 -2.907 -11.760 3.836 47 3HG1 VAL 925 3HG1 VAL 925 -1.816 -12.220 2.529 48 1HG2 VAL 925 1HG2 VAL 925 -4.831 -12.448 2.304 49 2HG2 VAL 925 2HG2 VAL 925 -4.966 -11.690 0.719 50 3HG2 VAL 925 3HG2 VAL 925 -3.658 -12.828 1.041 51 H TYR 926 H TYR 926 -6.261 -10.429 0.950 52 HA TYR 926 HA TYR 926 -5.692 -8.444 -1.080 53 1HB TYR 926 HB1 TYR 926 -6.854 -10.270 -1.938 54 2HB TYR 926 HB2 TYR 926 -7.872 -10.447 -0.514 55 HD1 TYR 926 HD1 TYR 926 -7.277 -8.114 -3.343 56 HD2 TYR 926 HD2 TYR 926 -10.095 -9.788 -0.647 57 HE1 TYR 926 HE1 TYR 926 -9.068 -6.931 -4.518 58 HE2 TYR 926 HE2 TYR 926 -11.919 -8.619 -1.816 59 HH TYR 926 HH TYR 926 -12.191 -6.594 -3.247 60 H GLU 927 H GLU 927 -7.515 -8.666 1.830 61 HA GLU 927 HA GLU 927 -9.463 -6.682 1.384 62 1HB GLU 927 HB1 GLU 927 -8.449 -8.220 3.720 63 2HB GLU 927 HB2 GLU 927 -9.527 -6.866 4.000 64 1HG GLU 927 HG1 GLU 927 -10.114 -9.216 2.221 65 2HG GLU 927 HG2 GLU 927 -10.704 -9.012 3.871 66 H ASN 928 H ASN 928 -6.671 -6.554 3.648 67 HA ASN 928 HA ASN 928 -7.224 -3.785 4.134 68 1HB ASN 928 HB1 ASN 928 -5.450 -3.795 5.702 69 2HB ASN 928 HB2 ASN 928 -6.235 -5.363 5.838 70 1HD2 ASN 928 2HD2 ASN 928 -3.530 -4.495 6.534 71 2HD2 ASN 928 1HD2 ASN 928 -2.477 -5.562 5.681 72 H VAL 929 H VAL 929 -4.924 -5.513 2.112 73 HA VAL 929 HA VAL 929 -3.327 -3.316 1.457 74 HB VAL 929 HB VAL 929 -3.949 -5.677 -0.326 75 1HG1 VAL 929 1HG1 VAL 929 -2.931 -3.810 -1.509 76 2HG1 VAL 929 2HG1 VAL 929 -1.649 -3.729 -0.299 77 3HG1 VAL 929 3HG1 VAL 929 -1.790 -5.146 -1.341 78 1HG2 VAL 929 1HG2 VAL 929 -1.733 -5.267 1.683 79 2HG2 VAL 929 2HG2 VAL 929 -3.103 -6.361 1.872 80 3HG2 VAL 929 3HG2 VAL 929 -1.913 -6.649 0.602 81 H THR 930 H THR 930 -6.396 -4.407 0.021 82 HA THR 930 HA THR 930 -6.411 -2.226 -1.858 83 HB THR 930 HB THR 930 -8.927 -2.699 -1.957 84 HG1 THR 930 HG1 THR 930 -8.242 -5.130 -0.667 85 1HG2 THR 930 1HG2 THR 930 -7.342 -3.535 -3.618 86 2HG2 THR 930 2HG2 THR 930 -7.013 -4.941 -2.602 87 3HG2 THR 930 3HG2 THR 930 -8.617 -4.713 -3.303 88 H GLY 931 H GLY 931 -7.434 -2.822 1.405 89 1HA GLY 931 HA1 GLY 931 -8.676 -0.423 2.043 90 2HA GLY 931 HA2 GLY 931 -7.685 -1.360 3.151 91 H LEU 932 H LEU 932 -5.249 -1.049 1.462 92 HA LEU 932 HA LEU 932 -4.296 1.423 2.463 93 1HB LEU 932 HB1 LEU 932 -3.006 -0.726 1.686 94 2HB LEU 932 HB2 LEU 932 -3.054 0.034 0.108 95 HG LEU 932 HG LEU 932 -1.818 1.285 2.574 96 1HD1 LEU 932 1HD1 LEU 932 -0.580 -0.686 1.931 97 2HD1 LEU 932 2HD1 LEU 932 -0.515 -0.132 0.258 98 3HD1 LEU 932 3HD1 LEU 932 0.331 0.766 1.518 99 1HD2 LEU 932 1HD2 LEU 932 -0.798 2.849 0.994 100 2HD2 LEU 932 2HD2 LEU 932 -1.671 2.086 -0.335 101 3HD2 LEU 932 3HD2 LEU 932 -2.559 2.935 0.930 102 H VAL 933 H VAL 933 -5.308 0.345 -0.787 103 HA VAL 933 HA VAL 933 -5.193 2.826 -2.066 104 HB VAL 933 HB VAL 933 -7.235 0.633 -2.506 105 1HG1 VAL 933 1HG1 VAL 933 -7.934 2.746 -3.519 106 2HG1 VAL 933 2HG1 VAL 933 -6.376 2.875 -4.336 107 3HG1 VAL 933 3HG1 VAL 933 -7.483 1.567 -4.750 108 1HG2 VAL 933 1HG2 VAL 933 -5.723 -0.085 -4.313 109 2HG2 VAL 933 2HG2 VAL 933 -4.556 1.136 -3.803 110 3HG2 VAL 933 3HG2 VAL 933 -4.967 -0.197 -2.723 111 H LYS 934 H LYS 934 -7.745 1.473 -0.012 112 HA LYS 934 HA LYS 934 -9.598 3.563 -0.244 113 1HB LYS 934 HB1 LYS 934 -9.117 2.003 2.296 114 2HB LYS 934 HB2 LYS 934 -10.610 2.759 1.770 115 1HG LYS 934 HG1 LYS 934 -9.320 0.407 0.405 116 2HG LYS 934 HG2 LYS 934 -10.588 0.286 1.619 117 1HD LYS 934 HD1 LYS 934 -11.784 0.135 -0.345 118 2HD LYS 934 HD2 LYS 934 -11.906 1.855 0.025 119 1HE LYS 934 HE1 LYS 934 -10.278 2.417 -1.596 120 2HE LYS 934 HE2 LYS 934 -9.777 0.735 -1.781 121 1HZ LYS 934 HZ1 LYS 934 -12.490 1.715 -2.477 122 2HZ LYS 934 HZ2 LYS 934 -11.218 1.612 -3.599 123 3HZ LYS 934 HZ3 LYS 934 -11.807 0.208 -2.846 124 H ALA 935 H ALA 935 -6.752 3.166 1.763 125 HA ALA 935 HA ALA 935 -7.239 5.468 3.379 126 1HB ALA 935 HB1 ALA 935 -5.919 3.578 4.180 127 2HB ALA 935 HB2 ALA 935 -4.680 3.940 2.977 128 3HB ALA 935 HB3 ALA 935 -5.021 5.093 4.269 129 H VAL 936 H VAL 936 -5.588 4.932 0.315 130 HA VAL 936 HA VAL 936 -4.552 7.613 0.386 131 HB VAL 936 HB VAL 936 -3.319 5.906 -0.855 132 1HG1 VAL 936 1HG1 VAL 936 -5.619 5.970 -2.803 133 2HG1 VAL 936 2HG1 VAL 936 -4.091 5.120 -3.031 134 3HG1 VAL 936 3HG1 VAL 936 -5.194 4.624 -1.747 135 1HG2 VAL 936 1HG2 VAL 936 -2.862 7.231 -2.870 136 2HG2 VAL 936 2HG2 VAL 936 -4.318 8.178 -2.567 137 3HG2 VAL 936 3HG2 VAL 936 -2.977 8.231 -1.422 138 H ILE 937 H ILE 937 -7.490 6.087 -0.464 139 HA ILE 937 HA ILE 937 -8.636 8.303 -1.817 140 HB ILE 937 HB ILE 937 -9.992 6.229 -0.079 141 1HG1 ILE 937 1HG1 ILE 937 -8.888 5.242 -2.029 142 2HG1 ILE 937 2HG1 ILE 937 -10.635 5.186 -2.221 143 1HG2 ILE 937 1HG2 ILE 937 -11.361 8.225 -0.265 144 2HG2 ILE 937 2HG2 ILE 937 -11.177 8.212 -2.018 145 3HG2 ILE 937 3HG2 ILE 937 -12.063 6.915 -1.215 146 1HD1 ILE 937 1HD1 ILE 937 -9.540 5.789 -4.299 147 2HD1 ILE 937 2HD1 ILE 937 -10.533 7.120 -3.704 148 3HD1 ILE 937 3HD1 ILE 937 -8.781 7.175 -3.511 149 H GLU 938 H GLU 938 -8.298 7.351 1.568 150 HA GLU 938 HA GLU 938 -9.476 9.484 2.869 151 1HB GLU 938 HB1 GLU 938 -6.892 8.078 3.578 152 2HB GLU 938 HB2 GLU 938 -7.738 9.186 4.647 153 1HG GLU 938 HG1 GLU 938 -8.777 6.556 3.611 154 2HG GLU 938 HG2 GLU 938 -8.240 6.909 5.253 155 H MET 939 H MET 939 -6.374 9.344 1.234 156 HA MET 939 HA MET 939 -5.304 11.772 2.152 157 1HB MET 939 HB1 MET 939 -4.001 10.095 0.879 158 2HB MET 939 HB2 MET 939 -4.919 10.496 -0.566 159 1HG MET 939 HG1 MET 939 -4.061 12.817 -0.397 160 2HG MET 939 HG2 MET 939 -3.050 12.303 0.949 161 1HE MET 939 HE1 MET 939 -3.988 10.474 -2.429 162 2HE MET 939 HE2 MET 939 -3.695 12.152 -2.887 163 3HE MET 939 HE3 MET 939 -2.585 10.887 -3.414 164 H SER 940 H SER 940 -7.324 11.035 -0.669 165 HA SER 940 HA SER 940 -7.529 13.745 -1.521 166 1HB SER 940 HB1 SER 940 -9.325 11.394 -2.161 167 2HB SER 940 HB2 SER 940 -9.249 12.917 -3.052 168 HG SER 940 HG SER 940 -7.543 10.750 -3.101 169 H SER 941 H SER 941 -9.240 11.836 0.846 170 HA SER 941 HA SER 941 -11.613 13.497 0.780 171 1HB SER 941 HB1 SER 941 -10.756 11.453 2.854 172 2HB SER 941 HB2 SER 941 -12.372 12.133 2.655 173 HG SER 941 HG SER 941 -11.024 10.648 0.638 174 H LYS 942 H LYS 942 -8.778 12.991 2.693 175 HA LYS 942 HA LYS 942 -9.209 14.733 4.808 176 1HB LYS 942 HB1 LYS 942 -6.975 13.307 3.571 177 2HB LYS 942 HB2 LYS 942 -6.500 14.783 4.401 178 1HG LYS 942 HG1 LYS 942 -8.236 12.728 5.714 179 2HG LYS 942 HG2 LYS 942 -6.468 12.624 5.734 180 1HD LYS 942 HD1 LYS 942 -6.227 14.548 6.959 181 2HD LYS 942 HD2 LYS 942 -7.810 15.175 6.468 182 1HE LYS 942 HE1 LYS 942 -7.875 14.520 8.807 183 2HE LYS 942 HE2 LYS 942 -8.888 13.434 7.861 184 1HZ LYS 942 HZ1 LYS 942 -7.553 12.229 9.470 185 2HZ LYS 942 HZ2 LYS 942 -7.107 11.795 7.896 186 3HZ LYS 942 HZ3 LYS 942 -6.130 12.849 8.798 187 H ILE 943 H ILE 943 -7.789 15.338 1.607 188 HA ILE 943 HA ILE 943 -6.939 17.945 2.322 189 HB ILE 943 HB ILE 943 -5.871 16.671 0.486 190 1HG1 ILE 943 1HG1 ILE 943 -7.065 19.303 -0.413 191 2HG1 ILE 943 2HG1 ILE 943 -5.638 19.129 0.603 192 1HG2 ILE 943 1HG2 ILE 943 -6.939 16.568 -1.717 193 2HG2 ILE 943 2HG2 ILE 943 -7.839 15.656 -0.505 194 3HG2 ILE 943 3HG2 ILE 943 -8.415 17.242 -1.026 195 1HD1 ILE 943 1HD1 ILE 943 -5.906 18.178 -2.240 196 2HD1 ILE 943 2HD1 ILE 943 -5.042 19.617 -1.701 197 3HD1 ILE 943 3HD1 ILE 943 -4.471 18.018 -1.227 198 H GLN 944 H GLN 944 -9.921 16.622 1.166 199 HA GLN 944 HA GLN 944 -11.078 18.845 -0.018 200 1HB GLN 944 HB1 GLN 944 -12.412 16.696 1.628 201 2HB GLN 944 HB2 GLN 944 -13.268 17.853 0.617 202 1HG GLN 944 HG1 GLN 944 -12.230 16.982 -1.358 203 2HG GLN 944 HG2 GLN 944 -11.201 15.921 -0.399 204 1HE2 GLN 944 2HE2 GLN 944 -11.939 14.077 -1.402 205 2HE2 GLN 944 1HE2 GLN 944 -13.524 13.439 -1.129 206 HA PRO 945 HA PRO 945 -12.602 20.698 3.956 207 1HB PRO 945 HB1 PRO 945 -13.082 19.293 6.175 208 2HB PRO 945 HB2 PRO 945 -14.073 19.095 4.727 209 1HG PRO 945 HG1 PRO 945 -12.076 17.271 5.896 210 2HG PRO 945 HG2 PRO 945 -13.425 16.911 4.808 211 1HD PRO 945 HD1 PRO 945 -10.631 17.318 4.153 212 2HD PRO 945 HD2 PRO 945 -11.959 16.826 3.084 213 H ALA 946 H ALA 946 -9.548 19.588 3.977 214 HA ALA 946 HA ALA 946 -8.918 20.910 6.530 215 1HB ALA 946 HB1 ALA 946 -7.653 18.362 5.550 216 2HB ALA 946 HB2 ALA 946 -7.259 19.221 7.038 217 3HB ALA 946 HB3 ALA 946 -8.851 18.489 6.838 218 HA PRO 947 HA PRO 947 -5.768 22.984 4.209 219 1HB PRO 947 HB1 PRO 947 -4.541 24.221 6.207 220 2HB PRO 947 HB2 PRO 947 -6.267 24.487 5.935 221 1HG PRO 947 HG1 PRO 947 -4.908 22.811 7.994 222 2HG PRO 947 HG2 PRO 947 -6.364 23.811 8.139 223 1HD PRO 947 HD1 PRO 947 -6.272 21.032 7.688 224 2HD PRO 947 HD2 PRO 947 -7.695 22.079 7.540 225 HA PRO 948 HA PRO 948 -1.516 21.361 4.040 226 1HB PRO 948 HB1 PRO 948 -0.574 23.538 5.854 227 2HB PRO 948 HB2 PRO 948 0.135 22.950 4.347 228 1HG PRO 948 HG1 PRO 948 -1.250 25.207 4.362 229 2HG PRO 948 HG2 PRO 948 -1.431 24.053 3.023 230 1HD PRO 948 HD1 PRO 948 -3.280 24.647 5.280 231 2HD PRO 948 HD2 PRO 948 -3.646 24.163 3.614 232 H GLU 949 H GLU 949 -2.485 22.470 7.249 233 HA GLU 949 HA GLU 949 -0.836 20.978 8.892 234 1HB GLU 949 HB1 GLU 949 -3.727 21.774 9.196 235 2HB GLU 949 HB2 GLU 949 -2.845 20.942 10.468 236 1HG GLU 949 HG1 GLU 949 -2.081 23.590 9.273 237 2HG GLU 949 HG2 GLU 949 -2.937 23.366 10.800 238 H GLU 950 H GLU 950 -3.259 19.914 6.752 239 HA GLU 950 HA GLU 950 -3.192 17.236 7.950 240 1HB GLU 950 HB1 GLU 950 -5.452 18.848 7.180 241 2HB GLU 950 HB2 GLU 950 -5.405 17.357 6.245 242 1HG GLU 950 HG1 GLU 950 -6.764 17.163 8.268 243 2HG GLU 950 HG2 GLU 950 -5.412 16.035 8.244 244 H TYR 951 H TYR 951 -2.306 19.118 5.359 245 HA TYR 951 HA TYR 951 -2.542 17.428 3.167 246 1HB TYR 951 HB1 TYR 951 -0.671 19.579 3.968 247 2HB TYR 951 HB2 TYR 951 -0.134 18.501 2.690 248 HD1 TYR 951 HD1 TYR 951 -3.535 19.913 3.371 249 HD2 TYR 951 HD2 TYR 951 -0.181 19.720 0.777 250 HE1 TYR 951 HE1 TYR 951 -4.729 21.297 1.728 251 HE2 TYR 951 HE2 TYR 951 -1.340 21.094 -0.866 252 HH TYR 951 HH TYR 951 -4.142 22.848 -0.145 253 H VAL 952 H VAL 952 0.068 17.610 5.603 254 HA VAL 952 HA VAL 952 1.227 15.223 4.492 255 HB VAL 952 HB VAL 952 2.965 16.382 5.364 256 1HG1 VAL 952 1HG1 VAL 952 1.734 18.173 6.406 257 2HG1 VAL 952 2HG1 VAL 952 1.280 17.130 7.756 258 3HG1 VAL 952 3HG1 VAL 952 2.969 17.587 7.520 259 1HG2 VAL 952 1HG2 VAL 952 3.060 14.139 6.296 260 2HG2 VAL 952 2HG2 VAL 952 3.793 15.307 7.395 261 3HG2 VAL 952 3HG2 VAL 952 2.180 14.675 7.728 262 HA PRO 953 HA PRO 953 -0.935 13.155 8.462 263 1HB PRO 953 HB1 PRO 953 -3.263 15.005 8.328 264 2HB PRO 953 HB2 PRO 953 -2.624 14.095 9.708 265 1HG PRO 953 HG1 PRO 953 -2.067 16.645 9.534 266 2HG PRO 953 HG2 PRO 953 -0.759 15.506 9.917 267 1HD PRO 953 HD1 PRO 953 -1.402 16.833 7.304 268 2HD PRO 953 HD2 PRO 953 0.177 16.592 8.083 269 H MET 954 H MET 954 -2.608 14.536 5.620 270 HA MET 954 HA MET 954 -4.427 12.348 5.403 271 1HB MET 954 HB1 MET 954 -4.988 13.153 3.231 272 2HB MET 954 HB2 MET 954 -4.710 14.569 4.230 273 1HG MET 954 HG1 MET 954 -2.447 14.750 3.254 274 2HG MET 954 HG2 MET 954 -2.842 13.407 2.184 275 1HE MET 954 HE1 MET 954 -3.758 17.060 3.249 276 2HE MET 954 HE2 MET 954 -5.062 17.443 2.124 277 3HE MET 954 HE3 MET 954 -5.303 16.218 3.369 278 H VAL 955 H VAL 955 -1.400 13.128 3.773 279 HA VAL 955 HA VAL 955 -0.896 10.663 2.651 280 HB VAL 955 HB VAL 955 1.124 12.550 3.852 281 1HG1 VAL 955 1HG1 VAL 955 2.694 11.511 2.318 282 2HG1 VAL 955 2HG1 VAL 955 2.020 10.315 3.424 283 3HG1 VAL 955 3HG1 VAL 955 1.439 10.404 1.761 284 1HG2 VAL 955 1HG2 VAL 955 1.297 13.377 1.522 285 2HG2 VAL 955 2HG2 VAL 955 -0.071 12.352 1.090 286 3HG2 VAL 955 3HG2 VAL 955 -0.286 13.667 2.243 287 H LYS 956 H LYS 956 -0.729 11.628 5.990 288 HA LYS 956 HA LYS 956 0.792 9.414 6.932 289 1HB LYS 956 HB1 LYS 956 0.337 11.478 8.254 290 2HB LYS 956 HB2 LYS 956 -1.342 10.974 8.399 291 1HG LYS 956 HG1 LYS 956 -0.322 8.808 9.418 292 2HG LYS 956 HG2 LYS 956 1.096 9.828 9.676 293 1HD LYS 956 HD1 LYS 956 -0.280 9.867 11.655 294 2HD LYS 956 HD2 LYS 956 -0.344 11.450 10.872 295 1HE LYS 956 HE1 LYS 956 -2.484 10.922 9.885 296 2HE LYS 956 HE2 LYS 956 -2.410 9.279 10.520 297 1HZ LYS 956 HZ1 LYS 956 -3.820 10.518 11.928 298 2HZ LYS 956 HZ2 LYS 956 -2.367 10.312 12.784 299 3HZ LYS 956 HZ3 LYS 956 -2.719 11.802 12.054 300 H GLU 957 H GLU 957 -2.587 9.979 6.271 301 HA GLU 957 HA GLU 957 -3.735 7.667 7.270 302 1HB GLU 957 HB1 GLU 957 -4.505 9.018 4.668 303 2HB GLU 957 HB2 GLU 957 -5.527 7.973 5.646 304 1HG GLU 957 HG1 GLU 957 -4.422 10.627 6.540 305 2HG GLU 957 HG2 GLU 957 -6.041 10.369 5.896 306 H VAL 958 H VAL 958 -2.233 8.124 4.026 307 HA VAL 958 HA VAL 958 -2.491 5.370 3.357 308 HB VAL 958 HB VAL 958 -1.193 5.746 1.446 309 1HG1 VAL 958 1HG1 VAL 958 -3.282 6.976 1.444 310 2HG1 VAL 958 2HG1 VAL 958 -2.469 8.391 2.112 311 3HG1 VAL 958 3HG1 VAL 958 -2.050 7.814 0.499 312 1HG2 VAL 958 1HG2 VAL 958 0.809 6.652 2.496 313 2HG2 VAL 958 2HG2 VAL 958 0.319 7.635 1.117 314 3HG2 VAL 958 3HG2 VAL 958 -0.009 8.191 2.758 315 H GLY 959 H GLY 959 -0.166 7.109 5.275 316 1HA GLY 959 HA1 GLY 959 1.882 5.108 5.177 317 2HA GLY 959 HA2 GLY 959 1.752 6.404 6.360 318 H LEU 960 H LEU 960 -0.603 5.931 7.582 319 HA LEU 960 HA LEU 960 -0.280 3.669 9.207 320 1HB LEU 960 HB1 LEU 960 -2.801 5.222 8.589 321 2HB LEU 960 HB2 LEU 960 -2.638 4.063 9.895 322 HG LEU 960 HG LEU 960 -1.110 6.655 9.641 323 1HD1 LEU 960 1HD1 LEU 960 -3.475 6.971 10.186 324 2HD1 LEU 960 2HD1 LEU 960 -3.313 5.847 11.536 325 3HD1 LEU 960 3HD1 LEU 960 -2.434 7.375 11.551 326 1HD2 LEU 960 1HD2 LEU 960 -0.316 6.152 11.903 327 2HD2 LEU 960 2HD2 LEU 960 -1.120 4.582 11.832 328 3HD2 LEU 960 3HD2 LEU 960 0.218 4.939 10.737 329 H ALA 961 H ALA 961 -1.759 4.088 6.129 330 HA ALA 961 HA ALA 961 -3.133 1.623 5.984 331 1HB ALA 961 HB1 ALA 961 -3.064 1.898 3.569 332 2HB ALA 961 HB2 ALA 961 -3.516 3.403 4.371 333 3HB ALA 961 HB3 ALA 961 -1.881 3.194 3.743 334 H LEU 962 H LEU 962 0.160 2.517 4.818 335 HA LEU 962 HA LEU 962 0.999 -0.080 4.255 336 1HB LEU 962 HB1 LEU 962 2.353 1.630 3.471 337 2HB LEU 962 HB2 LEU 962 2.428 2.431 5.032 338 HG LEU 962 HG LEU 962 3.838 0.500 5.844 339 1HD1 LEU 962 1HD1 LEU 962 3.199 -1.150 4.186 340 2HD1 LEU 962 2HD1 LEU 962 3.899 -0.162 2.907 341 3HD1 LEU 962 3HD1 LEU 962 4.939 -0.872 4.140 342 1HD2 LEU 962 1HD2 LEU 962 4.826 2.634 5.233 343 2HD2 LEU 962 2HD2 LEU 962 5.877 1.305 4.742 344 3HD2 LEU 962 3HD2 LEU 962 4.891 2.139 3.542 345 H ARG 963 H ARG 963 1.213 1.707 7.364 346 HA ARG 963 HA ARG 963 2.341 -0.276 8.919 347 1HB ARG 963 HB1 ARG 963 1.843 1.925 9.816 348 2HB ARG 963 HB2 ARG 963 0.116 1.637 9.658 349 1HG ARG 963 HG1 ARG 963 0.733 1.379 11.950 350 2HG ARG 963 HG2 ARG 963 0.319 -0.205 11.296 351 1HD ARG 963 HD1 ARG 963 2.262 -0.536 12.582 352 2HD ARG 963 HD2 ARG 963 2.797 -0.536 10.903 353 HE ARG 963 HE ARG 963 2.961 2.006 12.312 354 1HH1 ARG 963 2HH1 ARG 963 4.602 -0.882 11.223 355 2HH1 ARG 963 1HH1 ARG 963 6.193 -0.224 11.426 356 1HH2 ARG 963 2HH2 ARG 963 5.058 2.881 12.623 357 2HH2 ARG 963 1HH2 ARG 963 6.453 1.922 12.227 358 H THR 964 H THR 964 -1.160 0.201 8.466 359 HA THR 964 HA THR 964 -2.061 -2.189 9.575 360 HB THR 964 HB THR 964 -3.238 -0.779 7.164 361 HG1 THR 964 HG1 THR 964 -3.183 0.739 8.747 362 1HG2 THR 964 1HG2 THR 964 -5.382 -1.699 8.015 363 2HG2 THR 964 2HG2 THR 964 -4.255 -2.951 7.494 364 3HG2 THR 964 3HG2 THR 964 -4.476 -2.624 9.213 365 H LEU 965 H LEU 965 -1.028 -1.508 6.283 366 HA LEU 965 HA LEU 965 -1.392 -3.935 5.021 367 1HB LEU 965 HB1 LEU 965 -0.594 -1.729 4.087 368 2HB LEU 965 HB2 LEU 965 0.990 -2.098 4.736 369 HG LEU 965 HG LEU 965 0.752 -4.261 3.274 370 1HD1 LEU 965 1HD1 LEU 965 -1.579 -3.817 2.676 371 2HD1 LEU 965 2HD1 LEU 965 -1.083 -2.317 1.892 372 3HD1 LEU 965 3HD1 LEU 965 -0.531 -3.867 1.257 373 1HD2 LEU 965 1HD2 LEU 965 1.270 -1.548 2.065 374 2HD2 LEU 965 2HD2 LEU 965 2.430 -2.476 3.016 375 3HD2 LEU 965 3HD2 LEU 965 1.864 -3.095 1.464 376 H LEU 966 H LEU 966 1.218 -2.850 7.094 377 HA LEU 966 HA LEU 966 3.027 -4.957 6.720 378 1HB LEU 966 HB1 LEU 966 3.490 -2.759 7.810 379 2HB LEU 966 HB2 LEU 966 2.616 -3.313 9.220 380 HG LEU 966 HG LEU 966 4.979 -4.880 8.251 381 1HD1 LEU 966 1HD1 LEU 966 5.747 -2.571 8.328 382 2HD1 LEU 966 2HD1 LEU 966 5.081 -2.389 9.952 383 3HD1 LEU 966 3HD1 LEU 966 6.427 -3.496 9.668 384 1HD2 LEU 966 1HD2 LEU 966 3.821 -4.328 10.987 385 2HD2 LEU 966 2HD2 LEU 966 3.592 -5.804 10.049 386 3HD2 LEU 966 3HD2 LEU 966 5.198 -5.374 10.641 387 H ALA 967 H ALA 967 0.231 -4.666 8.842 388 HA ALA 967 HA ALA 967 0.643 -7.011 10.352 389 1HB ALA 967 HB1 ALA 967 -1.972 -5.756 9.523 390 2HB ALA 967 HB2 ALA 967 -1.753 -6.936 10.815 391 3HB ALA 967 HB3 ALA 967 -1.030 -5.332 10.952 392 H THR 968 H THR 968 -0.823 -6.449 7.205 393 HA THR 968 HA THR 968 -1.594 -9.174 6.782 394 HB THR 968 HB THR 968 -1.669 -6.711 5.238 395 HG1 THR 968 HG1 THR 968 -3.610 -7.628 4.627 396 1HG2 THR 968 1HG2 THR 968 -1.739 -7.761 3.020 397 2HG2 THR 968 2HG2 THR 968 -0.132 -7.868 3.738 398 3HG2 THR 968 3HG2 THR 968 -1.187 -9.281 3.725 399 H VAL 969 H VAL 969 1.265 -7.286 6.089 400 HA VAL 969 HA VAL 969 2.723 -9.124 4.597 401 HB VAL 969 HB VAL 969 3.779 -7.235 6.713 402 1HG1 VAL 969 1HG1 VAL 969 5.416 -8.965 6.154 403 2HG1 VAL 969 2HG1 VAL 969 5.240 -8.582 4.441 404 3HG1 VAL 969 3HG1 VAL 969 5.920 -7.388 5.546 405 1HG2 VAL 969 1HG2 VAL 969 2.539 -6.054 5.009 406 2HG2 VAL 969 2HG2 VAL 969 4.264 -5.761 4.792 407 3HG2 VAL 969 3HG2 VAL 969 3.424 -6.898 3.739 408 H ASP 970 H ASP 970 1.962 -9.093 8.007 409 HA ASP 970 HA ASP 970 3.747 -11.274 8.643 410 1HB ASP 970 HB1 ASP 970 3.211 -9.558 10.333 411 2HB ASP 970 HB2 ASP 970 1.516 -10.023 10.268 412 H GLU 971 H GLU 971 0.375 -10.965 7.824 413 HA GLU 971 HA GLU 971 -0.262 -13.717 8.302 414 1HB GLU 971 HB1 GLU 971 -1.472 -11.917 6.188 415 2HB GLU 971 HB2 GLU 971 -2.207 -13.336 6.923 416 1HG GLU 971 HG1 GLU 971 -1.518 -10.801 8.378 417 2HG GLU 971 HG2 GLU 971 -3.121 -11.211 7.762 418 H SER 972 H SER 972 0.794 -11.841 5.574 419 HA SER 972 HA SER 972 1.208 -13.965 3.798 420 1HB SER 972 HB1 SER 972 0.904 -11.669 3.065 421 2HB SER 972 HB2 SER 972 2.445 -11.216 3.823 422 HG SER 972 HG SER 972 3.225 -13.089 2.375 423 H LEU 973 H LEU 973 3.086 -12.815 6.463 424 HA LEU 973 HA LEU 973 5.620 -13.657 5.640 425 1HB LEU 973 HB1 LEU 973 5.014 -12.292 7.701 426 2HB LEU 973 HB2 LEU 973 4.611 -13.802 8.487 427 HG LEU 973 HG LEU 973 7.353 -13.295 7.341 428 1HD1 LEU 973 1HD1 LEU 973 6.375 -12.690 10.129 429 2HD1 LEU 973 2HD1 LEU 973 8.051 -12.621 9.586 430 3HD1 LEU 973 3HD1 LEU 973 6.862 -11.503 8.920 431 1HD2 LEU 973 1HD2 LEU 973 6.798 -15.617 7.866 432 2HD2 LEU 973 2HD2 LEU 973 8.021 -14.990 8.972 433 3HD2 LEU 973 3HD2 LEU 973 6.345 -15.143 9.505 434 HA PRO 974 HA PRO 974 4.686 -18.103 7.387 435 1HB PRO 974 HB1 PRO 974 1.721 -18.107 7.196 436 2HB PRO 974 HB2 PRO 974 2.776 -18.895 8.374 437 1HG PRO 974 HG1 PRO 974 1.392 -16.725 9.037 438 2HG PRO 974 HG2 PRO 974 3.052 -16.961 9.619 439 1HD PRO 974 HD1 PRO 974 2.052 -15.216 7.407 440 2HD PRO 974 HD2 PRO 974 3.301 -14.887 8.624 441 H VAL 975 H VAL 975 2.493 -16.458 5.085 442 HA VAL 975 HA VAL 975 2.458 -18.816 3.405 443 HB VAL 975 HB VAL 975 1.195 -17.544 1.803 444 1HG1 VAL 975 1HG1 VAL 975 -0.729 -16.902 3.189 445 2HG1 VAL 975 2HG1 VAL 975 -0.040 -18.457 3.651 446 3HG1 VAL 975 3HG1 VAL 975 0.296 -17.023 4.618 447 1HG2 VAL 975 1HG2 VAL 975 1.733 -15.149 3.493 448 2HG2 VAL 975 2HG2 VAL 975 2.329 -15.451 1.860 449 3HG2 VAL 975 3HG2 VAL 975 0.603 -15.221 2.142 450 H LEU 976 H LEU 976 4.786 -16.439 3.926 451 HA LEU 976 HA LEU 976 5.633 -16.357 1.184 452 1HB LEU 976 HB1 LEU 976 7.321 -14.807 1.750 453 2HB LEU 976 HB2 LEU 976 5.845 -14.341 2.549 454 HG LEU 976 HG LEU 976 6.895 -15.470 4.640 455 1HD1 LEU 976 1HD1 LEU 976 8.766 -16.540 3.509 456 2HD1 LEU 976 2HD1 LEU 976 9.346 -14.966 2.963 457 3HD1 LEU 976 3HD1 LEU 976 9.338 -15.353 4.683 458 1HD2 LEU 976 1HD2 LEU 976 8.013 -13.373 5.202 459 2HD2 LEU 976 2HD2 LEU 976 7.974 -12.897 3.504 460 3HD2 LEU 976 3HD2 LEU 976 6.468 -13.086 4.401 461 HA PRO 977 HA PRO 977 9.136 -19.259 2.613 462 1HB PRO 977 HB1 PRO 977 8.557 -20.970 4.645 463 2HB PRO 977 HB2 PRO 977 9.448 -19.461 4.889 464 1HG PRO 977 HG1 PRO 977 6.565 -20.066 5.373 465 2HG PRO 977 HG2 PRO 977 7.694 -19.113 6.355 466 1HD PRO 977 HD1 PRO 977 5.872 -17.981 4.699 467 2HD PRO 977 HD2 PRO 977 7.442 -17.237 5.053 468 H ALA 978 H ALA 978 5.730 -19.925 3.137 469 HA ALA 978 HA ALA 978 5.545 -22.456 1.990 470 1HB ALA 978 HB1 ALA 978 3.573 -20.185 1.761 471 2HB ALA 978 HB2 ALA 978 3.226 -21.894 1.500 472 3HB ALA 978 HB3 ALA 978 3.679 -21.323 3.105 473 H SER 979 H SER 979 5.102 -19.298 0.339 474 HA SER 979 HA SER 979 6.498 -20.152 -2.001 475 1HB SER 979 HB1 SER 979 3.485 -20.202 -1.996 476 2HB SER 979 HB2 SER 979 4.391 -19.921 -3.487 477 HG SER 979 HG SER 979 5.146 -22.090 -1.890 478 H THR 980 H THR 980 5.214 -17.762 -0.089 479 HA THR 980 HA THR 980 4.620 -15.851 -2.170 480 HB THR 980 HB THR 980 4.503 -15.569 0.822 481 HG1 THR 980 HG1 THR 980 2.943 -16.975 0.220 482 1HG2 THR 980 1HG2 THR 980 3.468 -13.759 -1.363 483 2HG2 THR 980 2HG2 THR 980 3.089 -13.599 0.351 484 3HG2 THR 980 3HG2 THR 980 4.749 -13.385 -0.208 485 H HIS 981 H HIS 981 7.400 -16.418 -0.103 486 HA HIS 981 HA HIS 981 8.322 -13.874 0.363 487 1HB HIS 981 HB1 HIS 981 9.421 -15.879 1.259 488 2HB HIS 981 HB2 HIS 981 10.011 -16.288 -0.346 489 HD1 HIS 981 HD1 HIS 981 10.907 -14.427 2.678 490 HD2 HIS 981 HD2 HIS 981 12.004 -14.397 -1.334 491 HE1 HIS 981 HE1 HIS 981 13.053 -13.135 2.571 492 HE2 HIS 981 HE2 HIS 981 13.595 -12.968 0.117 493 H ARG 982 H ARG 982 8.672 -15.715 -2.604 494 HA ARG 982 HA ARG 982 10.258 -13.924 -4.039 495 1HB ARG 982 HB1 ARG 982 8.037 -15.720 -5.015 496 2HB ARG 982 HB2 ARG 982 9.179 -14.894 -6.070 497 1HG ARG 982 HG1 ARG 982 10.998 -16.145 -5.258 498 2HG ARG 982 HG2 ARG 982 10.069 -16.749 -3.886 499 1HD ARG 982 HD1 ARG 982 9.544 -17.400 -6.781 500 2HD ARG 982 HD2 ARG 982 10.368 -18.448 -5.629 501 HE ARG 982 HE ARG 982 7.860 -17.747 -4.583 502 1HH1 ARG 982 2HH1 ARG 982 9.294 -19.716 -7.085 503 2HH1 ARG 982 1HH1 ARG 982 7.927 -20.791 -7.207 504 1HH2 ARG 982 2HH2 ARG 982 6.078 -19.164 -4.702 505 2HH2 ARG 982 1HH2 ARG 982 6.093 -20.480 -5.838 506 H GLU 983 H GLU 983 6.645 -14.010 -3.979 507 HA GLU 983 HA GLU 983 6.457 -11.611 -5.502 508 1HB GLU 983 HB1 GLU 983 4.639 -13.550 -4.873 509 2HB GLU 983 HB2 GLU 983 4.149 -12.240 -3.817 510 1HG GLU 983 HG1 GLU 983 2.941 -11.678 -5.651 511 2HG GLU 983 HG2 GLU 983 4.454 -10.830 -6.032 512 H ILE 984 H ILE 984 6.042 -12.341 -2.048 513 HA ILE 984 HA ILE 984 4.970 -9.883 -1.316 514 HB ILE 984 HB ILE 984 4.933 -11.797 0.197 515 1HG1 ILE 984 1HG1 ILE 984 5.640 -10.602 2.305 516 2HG1 ILE 984 2HG1 ILE 984 6.327 -9.338 1.290 517 1HG2 ILE 984 1HG2 ILE 984 6.922 -12.423 1.491 518 2HG2 ILE 984 2HG2 ILE 984 7.152 -12.697 -0.237 519 3HG2 ILE 984 3HG2 ILE 984 7.891 -11.298 0.540 520 1HD1 ILE 984 1HD1 ILE 984 3.434 -10.156 1.378 521 2HD1 ILE 984 2HD1 ILE 984 4.134 -8.712 2.109 522 3HD1 ILE 984 3HD1 ILE 984 4.119 -8.894 0.355 523 H GLU 985 H GLU 985 8.315 -10.872 -1.700 524 HA GLU 985 HA GLU 985 9.360 -8.429 -0.668 525 1HB GLU 985 HB1 GLU 985 10.625 -10.673 -2.217 526 2HB GLU 985 HB2 GLU 985 11.520 -9.236 -1.735 527 1HG GLU 985 HG1 GLU 985 10.113 -11.140 0.129 528 2HG GLU 985 HG2 GLU 985 11.851 -11.076 -0.169 529 H MET 986 H MET 986 8.292 -9.457 -3.881 530 HA MET 986 HA MET 986 9.677 -7.439 -5.271 531 1HB MET 986 HB1 MET 986 8.435 -7.899 -7.165 532 2HB MET 986 HB2 MET 986 8.440 -9.427 -6.308 533 1HG MET 986 HG1 MET 986 6.193 -9.189 -5.667 534 2HG MET 986 HG2 MET 986 6.156 -7.480 -6.119 535 1HE MET 986 HE1 MET 986 3.766 -8.996 -8.840 536 2HE MET 986 HE2 MET 986 3.866 -9.452 -7.138 537 3HE MET 986 HE3 MET 986 3.964 -7.752 -7.603 538 H ALA 987 H ALA 987 6.418 -7.459 -3.903 539 HA ALA 987 HA ALA 987 5.970 -4.716 -4.612 540 1HB ALA 987 HB1 ALA 987 4.153 -6.383 -4.598 541 2HB ALA 987 HB2 ALA 987 4.309 -6.491 -2.845 542 3HB ALA 987 HB3 ALA 987 3.818 -4.971 -3.595 543 H GLN 988 H GLN 988 6.706 -6.537 -1.640 544 HA GLN 988 HA GLN 988 6.091 -4.433 0.115 545 1HB GLN 988 HB1 GLN 988 6.370 -6.831 0.781 546 2HB GLN 988 HB2 GLN 988 8.107 -6.640 0.599 547 1HG GLN 988 HG1 GLN 988 6.628 -4.806 2.424 548 2HG GLN 988 HG2 GLN 988 6.968 -6.455 2.942 549 1HE2 GLN 988 2HE2 GLN 988 9.497 -6.633 1.528 550 2HE2 GLN 988 1HE2 GLN 988 10.612 -5.638 2.404 551 H LYS 989 H LYS 989 9.204 -5.349 -1.395 552 HA LYS 989 HA LYS 989 10.690 -3.262 -0.174 553 1HB LYS 989 HB1 LYS 989 11.588 -5.308 -1.456 554 2HB LYS 989 HB2 LYS 989 11.255 -4.395 -2.918 555 1HG LYS 989 HG1 LYS 989 13.051 -3.395 -0.718 556 2HG LYS 989 HG2 LYS 989 13.626 -4.314 -2.109 557 1HD LYS 989 HD1 LYS 989 12.836 -2.589 -3.615 558 2HD LYS 989 HD2 LYS 989 12.131 -1.697 -2.266 559 1HE LYS 989 HE1 LYS 989 14.409 -1.460 -1.304 560 2HE LYS 989 HE2 LYS 989 15.060 -2.234 -2.748 561 1HZ LYS 989 HZ1 LYS 989 13.583 0.339 -2.628 562 2HZ LYS 989 HZ2 LYS 989 15.227 0.128 -2.978 563 3HZ LYS 989 HZ3 LYS 989 14.053 -0.428 -4.065 564 H LEU 990 H LEU 990 8.847 -3.542 -3.148 565 HA LEU 990 HA LEU 990 9.358 -1.031 -4.250 566 1HB LEU 990 HB1 LEU 990 8.336 -2.381 -5.752 567 2HB LEU 990 HB2 LEU 990 7.371 -3.184 -4.536 568 HG LEU 990 HG LEU 990 5.798 -1.293 -4.553 569 1HD1 LEU 990 1HD1 LEU 990 7.480 -0.287 -6.858 570 2HD1 LEU 990 2HD1 LEU 990 5.929 0.380 -6.347 571 3HD1 LEU 990 3HD1 LEU 990 7.330 0.485 -5.279 572 1HD2 LEU 990 1HD2 LEU 990 6.333 -2.514 -7.252 573 2HD2 LEU 990 2HD2 LEU 990 5.399 -3.245 -5.946 574 3HD2 LEU 990 3HD2 LEU 990 4.818 -1.776 -6.734 575 H LEU 991 H LEU 991 6.761 -2.024 -1.993 576 HA LEU 991 HA LEU 991 5.599 0.600 -2.039 577 1HB LEU 991 HB1 LEU 991 4.147 -0.313 -0.180 578 2HB LEU 991 HB2 LEU 991 4.016 -1.079 -1.746 579 HG LEU 991 HG LEU 991 5.662 -2.831 -0.768 580 1HD1 LEU 991 1HD1 LEU 991 6.202 -1.595 1.278 581 2HD1 LEU 991 2HD1 LEU 991 4.508 -1.663 1.766 582 3HD1 LEU 991 3HD1 LEU 991 5.449 -3.149 1.636 583 1HD2 LEU 991 1HD2 LEU 991 3.381 -3.276 -1.410 584 2HD2 LEU 991 2HD2 LEU 991 3.753 -4.083 0.115 585 3HD2 LEU 991 3HD2 LEU 991 2.795 -2.600 0.110 586 H ASN 992 H ASN 992 7.840 -1.108 0.003 587 HA ASN 992 HA ASN 992 7.869 0.627 2.191 588 1HB ASN 992 HB1 ASN 992 9.147 -1.459 2.188 589 2HB ASN 992 HB2 ASN 992 10.174 -0.854 0.894 590 1HD2 ASN 992 2HD2 ASN 992 9.428 -0.693 4.278 591 2HD2 ASN 992 1HD2 ASN 992 10.841 0.188 4.749 592 H SER 993 H SER 993 9.420 0.815 -0.953 593 HA SER 993 HA SER 993 10.991 3.110 -0.298 594 1HB SER 993 HB1 SER 993 10.413 1.930 -3.024 595 2HB SER 993 HB2 SER 993 11.761 2.979 -2.587 596 HG SER 993 HG SER 993 11.276 0.310 -1.743 597 H ASP 994 H ASP 994 7.782 2.650 -1.538 598 HA ASP 994 HA ASP 994 7.826 5.338 -2.720 599 1HB ASP 994 HB1 ASP 994 6.195 2.914 -3.386 600 2HB ASP 994 HB2 ASP 994 5.639 4.524 -3.838 601 H LEU 995 H LEU 995 5.738 3.239 -0.708 602 HA LEU 995 HA LEU 995 3.884 5.184 0.066 603 1HB LEU 995 HB1 LEU 995 4.250 2.573 0.759 604 2HB LEU 995 HB2 LEU 995 4.860 3.349 2.203 605 HG LEU 995 HG LEU 995 2.620 2.813 2.628 606 1HD1 LEU 995 1HD1 LEU 995 2.741 5.728 1.900 607 2HD1 LEU 995 2HD1 LEU 995 1.563 4.976 2.976 608 3HD1 LEU 995 3HD1 LEU 995 3.269 5.007 3.421 609 1HD2 LEU 995 1HD2 LEU 995 1.919 4.144 0.020 610 2HD2 LEU 995 2HD2 LEU 995 1.880 2.413 0.356 611 3HD2 LEU 995 3HD2 LEU 995 0.764 3.500 1.186 612 H ALA 996 H ALA 996 6.940 4.229 1.565 613 HA ALA 996 HA ALA 996 7.112 6.238 3.476 614 1HB ALA 996 HB1 ALA 996 8.638 4.336 3.433 615 2HB ALA 996 HB2 ALA 996 9.425 4.999 2.002 616 3HB ALA 996 HB3 ALA 996 9.510 5.865 3.536 617 H GLU 997 H GLU 997 8.322 6.373 0.091 618 HA GLU 997 HA GLU 997 9.433 8.914 0.374 619 1HB GLU 997 HB1 GLU 997 10.046 7.685 -1.542 620 2HB GLU 997 HB2 GLU 997 8.373 7.445 -2.030 621 1HG GLU 997 HG1 GLU 997 8.165 9.760 -2.624 622 2HG GLU 997 HG2 GLU 997 9.769 10.110 -1.985 623 H LEU 998 H LEU 998 6.115 7.951 -0.215 624 HA LEU 998 HA LEU 998 5.308 10.518 -1.175 625 1HB LEU 998 HB1 LEU 998 4.237 8.185 -1.535 626 2HB LEU 998 HB2 LEU 998 3.433 8.495 -0.011 627 HG LEU 998 HG LEU 998 2.200 9.034 -2.225 628 1HD1 LEU 998 1HD1 LEU 998 2.336 11.094 -0.034 629 2HD1 LEU 998 2HD1 LEU 998 1.030 10.908 -1.203 630 3HD1 LEU 998 3HD1 LEU 998 1.344 9.635 -0.020 631 1HD2 LEU 998 1HD2 LEU 998 3.963 11.462 -1.966 632 2HD2 LEU 998 2HD2 LEU 998 3.987 10.284 -3.278 633 3HD2 LEU 998 3HD2 LEU 998 2.573 11.312 -3.041 634 H ILE 999 H ILE 999 5.259 8.937 2.004 635 HA ILE 999 HA ILE 999 3.789 10.983 3.305 636 HB ILE 999 HB ILE 999 4.569 10.136 5.419 637 1HG1 ILE 999 1HG1 ILE 999 6.527 8.449 3.848 638 2HG1 ILE 999 2HG1 ILE 999 6.947 9.831 4.852 639 1HG2 ILE 999 1HG2 ILE 999 4.062 7.901 3.462 640 2HG2 ILE 999 2HG2 ILE 999 3.886 7.791 5.215 641 3HG2 ILE 999 3HG2 ILE 999 2.841 8.868 4.288 642 1HD1 ILE 999 1HD1 ILE 999 7.404 7.737 5.990 643 2HD1 ILE 999 2HD1 ILE 999 6.139 8.641 6.823 644 3HD1 ILE 999 3HD1 ILE 999 5.715 7.259 5.815 645 H ASN1000 H ASN1000 7.046 10.710 2.345 646 HA ASN1000 HA ASN1000 7.863 13.176 3.744 647 1HB ASN1000 HB1 ASN1000 9.411 11.305 1.935 648 2HB ASN1000 HB2 ASN1000 10.088 12.749 2.671 649 1HD2 ASN1000 2HD2 ASN1000 9.138 9.479 3.132 650 2HD2 ASN1000 1HD2 ASN1000 9.760 9.306 4.735 651 H LYS1001 H LYS1001 6.268 12.343 1.016 652 HA LYS1001 HA LYS1001 7.611 14.186 -0.787 653 1HB LYS1001 HB1 LYS1001 6.287 11.867 -1.281 654 2HB LYS1001 HB2 LYS1001 5.021 13.043 -1.612 655 1HG LYS1001 HG1 LYS1001 6.182 12.527 -3.648 656 2HG LYS1001 HG2 LYS1001 6.544 14.191 -3.180 657 1HD LYS1001 HD1 LYS1001 8.681 13.483 -2.252 658 2HD LYS1001 HD2 LYS1001 8.318 11.803 -2.658 659 1HE LYS1001 HE1 LYS1001 8.197 12.463 -5.045 660 2HE LYS1001 HE2 LYS1001 8.688 14.094 -4.586 661 1HZ LYS1001 HZ1 LYS1001 10.749 13.160 -3.692 662 2HZ LYS1001 HZ2 LYS1001 10.278 11.611 -4.205 663 3HZ LYS1001 HZ3 LYS1001 10.575 12.827 -5.345 664 H MET1002 H MET1002 4.415 13.827 0.774 665 HA MET1002 HA MET1002 3.732 16.528 0.025 666 1HB MET1002 HB1 MET1002 1.896 14.973 0.268 667 2HB MET1002 HB2 MET1002 2.374 14.619 1.927 668 1HG MET1002 HG1 MET1002 0.532 16.125 1.993 669 2HG MET1002 HG2 MET1002 1.985 17.000 2.492 670 1HE MET1002 HE1 MET1002 0.455 15.976 -1.010 671 2HE MET1002 HE2 MET1002 -0.885 16.657 -0.087 672 3HE MET1002 HE3 MET1002 -0.262 17.512 -1.498 673 H LYS1003 H LYS1003 4.994 14.785 2.816 674 HA LYS1003 HA LYS1003 5.031 16.892 4.627 675 1HB LYS1003 HB1 LYS1003 5.782 14.575 5.161 676 2HB LYS1003 HB2 LYS1003 7.241 14.857 4.216 677 1HG LYS1003 HG1 LYS1003 7.899 16.638 5.738 678 2HG LYS1003 HG2 LYS1003 6.416 16.406 6.665 679 1HD LYS1003 HD1 LYS1003 8.560 14.316 6.274 680 2HD LYS1003 HD2 LYS1003 8.381 15.326 7.709 681 1HE LYS1003 HE1 LYS1003 6.105 14.389 8.022 682 2HE LYS1003 HE2 LYS1003 6.399 13.309 6.658 683 1HZ LYS1003 HZ1 LYS1003 7.948 13.380 9.193 684 2HZ LYS1003 HZ2 LYS1003 6.820 12.193 8.751 685 3HZ LYS1003 HZ3 LYS1003 8.263 12.355 7.879 686 H LEU1004 H LEU1004 7.499 15.977 2.221 687 HA LEU1004 HA LEU1004 9.102 18.188 2.210 688 1HB LEU1004 HB1 LEU1004 9.301 16.091 0.856 689 2HB LEU1004 HB2 LEU1004 8.096 16.751 -0.229 690 HG LEU1004 HG LEU1004 9.631 18.644 -0.723 691 1HD1 LEU1004 1HD1 LEU1004 11.601 17.026 0.886 692 2HD1 LEU1004 2HD1 LEU1004 11.982 18.450 -0.085 693 3HD1 LEU1004 3HD1 LEU1004 10.940 18.599 1.331 694 1HD2 LEU1004 1HD2 LEU1004 9.511 16.697 -2.191 695 2HD2 LEU1004 2HD2 LEU1004 11.148 17.352 -2.134 696 3HD2 LEU1004 3HD2 LEU1004 10.750 15.892 -1.229 697 H ALA1005 H ALA1005 6.122 17.786 0.265 698 HA ALA1005 HA ALA1005 6.180 20.294 -0.968 699 1HB ALA1005 HB1 ALA1005 3.768 19.985 -1.359 700 2HB ALA1005 HB2 ALA1005 4.696 18.533 -1.739 701 3HB ALA1005 HB3 ALA1005 3.776 18.626 -0.236 702 H GLN1006 H GLN1006 4.609 19.284 2.011 703 HA GLN1006 HA GLN1006 3.711 21.931 2.640 704 1HB GLN1006 HB1 GLN1006 3.748 19.363 4.243 705 2HB GLN1006 HB2 GLN1006 2.988 20.863 4.794 706 1HG GLN1006 HG1 GLN1006 2.211 19.037 2.583 707 2HG GLN1006 HG2 GLN1006 1.244 19.674 3.914 708 1HE2 GLN1006 2HE2 GLN1006 2.419 20.220 0.729 709 2HE2 GLN1006 1HE2 GLN1006 1.545 21.675 0.421 710 H GLN1007 H GLN1007 6.645 20.373 2.786 711 HA GLN1007 HA GLN1007 7.687 21.892 5.004 712 1HB GLN1007 HB1 GLN1007 8.307 19.460 3.875 713 2HB GLN1007 HB2 GLN1007 9.541 20.518 3.208 714 1HG GLN1007 HG1 GLN1007 10.283 19.397 5.239 715 2HG GLN1007 HG2 GLN1007 10.238 21.149 5.446 716 1HE2 GLN1007 2HE2 GLN1007 7.292 19.247 5.403 717 2HE2 GLN1007 1HE2 GLN1007 6.951 19.404 7.103 718 H TYR1008 H TYR1008 6.977 22.323 1.822 719 HA TYR1008 HA TYR1008 8.817 24.601 1.543 720 1HB TYR1008 HB1 TYR1008 9.602 22.727 0.176 721 2HB TYR1008 HB2 TYR1008 8.012 22.561 -0.550 722 HD1 TYR1008 HD1 TYR1008 7.790 23.353 -2.692 723 HD2 TYR1008 HD2 TYR1008 10.591 25.236 -0.093 724 HE1 TYR1008 HE1 TYR1008 8.495 24.840 -4.530 725 HE2 TYR1008 HE2 TYR1008 11.295 26.725 -1.914 726 HH TYR1008 HH TYR1008 11.289 26.838 -4.307 727 H VAL1009 H VAL1009 5.867 23.907 2.237 728 HA VAL1009 HA VAL1009 4.141 24.872 0.316 729 HB VAL1009 HB VAL1009 3.278 23.784 2.288 730 1HG1 VAL1009 1HG1 VAL1009 3.247 24.867 4.485 731 2HG1 VAL1009 2HG1 VAL1009 4.892 24.550 3.932 732 3HG1 VAL1009 3HG1 VAL1009 4.232 26.185 3.847 733 1HG2 VAL1009 1HG2 VAL1009 1.446 25.296 2.871 734 2HG2 VAL1009 2HG2 VAL1009 2.334 26.648 2.165 735 3HG2 VAL1009 3HG2 VAL1009 1.782 25.322 1.139 736 H MET1010 H MET1010 4.325 26.650 -0.763 737 HA MET1010 HA MET1010 4.486 29.212 0.607 738 1HB MET1010 HB1 MET1010 6.831 28.667 0.131 739 2HB MET1010 HB2 MET1010 6.434 28.347 -1.550 740 1HG MET1010 HG1 MET1010 7.526 30.513 -1.224 741 2HG MET1010 HG2 MET1010 5.913 30.666 -1.916 742 1HE MET1010 HE1 MET1010 6.226 33.908 0.244 743 2HE MET1010 HE2 MET1010 7.528 33.116 -0.641 744 3HE MET1010 HE3 MET1010 5.924 33.245 -1.363 745 H THR1011 H THR1011 3.754 30.964 -0.748 746 HA THR1011 HA THR1011 1.532 30.436 -2.294 747 HB THR1011 HB THR1011 3.338 32.853 -2.504 748 HG1 THR1011 HG1 THR1011 1.575 31.950 -0.569 749 1HG2 THR1011 1HG2 THR1011 0.401 32.541 -3.150 750 2HG2 THR1011 2HG2 THR1011 1.334 34.032 -3.255 751 3HG2 THR1011 3HG2 THR1011 1.697 32.687 -4.337 752 H SER1012 H SER1012 1.288 29.516 -4.168 753 HA SER1012 HA SER1012 1.536 28.869 -6.320 754 1HB SER1012 HB1 SER1012 2.191 31.157 -6.889 755 2HB SER1012 HB2 SER1012 3.857 30.812 -6.428 756 HG SER1012 HG SER1012 2.486 29.349 -8.431 757 H LEU1013 H LEU1013 4.667 29.130 -4.634 758 HA LEU1013 HA LEU1013 5.948 27.114 -6.130 759 1HB LEU1013 HB1 LEU1013 6.514 28.330 -3.446 760 2HB LEU1013 HB2 LEU1013 7.498 27.025 -4.077 761 HG LEU1013 HG LEU1013 8.658 29.016 -4.578 762 1HD1 LEU1013 1HD1 LEU1013 8.648 29.099 -7.035 763 2HD1 LEU1013 2HD1 LEU1013 8.653 27.449 -6.411 764 3HD1 LEU1013 3HD1 LEU1013 7.163 28.147 -7.042 765 1HD2 LEU1013 1HD2 LEU1013 7.676 30.921 -5.741 766 2HD2 LEU1013 2HD2 LEU1013 6.107 30.117 -5.746 767 3HD2 LEU1013 3HD2 LEU1013 6.843 30.605 -4.217 768 H GLN1014 H GLN1014 3.632 26.893 -3.619 769 HA GLN1014 HA GLN1014 4.286 24.435 -2.452 770 1HB GLN1014 HB1 GLN1014 2.401 26.166 -1.902 771 2HB GLN1014 HB2 GLN1014 1.443 25.207 -3.018 772 1HG GLN1014 HG1 GLN1014 2.852 23.889 -0.742 773 2HG GLN1014 HG2 GLN1014 1.321 24.724 -0.489 774 1HE2 GLN1014 2HE2 GLN1014 2.902 22.017 -1.975 775 2HE2 GLN1014 1HE2 GLN1014 1.462 21.162 -2.396 776 H GLN1015 H GLN1015 2.518 25.186 -5.427 777 HA GLN1015 HA GLN1015 1.604 22.526 -5.877 778 1HB GLN1015 HB1 GLN1015 0.870 23.288 -8.030 779 2HB GLN1015 HB2 GLN1015 0.526 24.545 -6.854 780 1HG GLN1015 HG1 GLN1015 2.574 25.720 -7.572 781 2HG GLN1015 HG2 GLN1015 2.798 24.499 -8.820 782 1HE2 GLN1015 2HE2 GLN1015 -0.336 25.682 -7.863 783 2HE2 GLN1015 1HE2 GLN1015 -0.674 26.546 -9.327 784 H GLU1016 H GLU1016 4.515 24.171 -6.513 785 HA GLU1016 HA GLU1016 5.639 22.563 -8.527 786 1HB GLU1016 HB1 GLU1016 6.783 24.586 -7.744 787 2HB GLU1016 HB2 GLU1016 7.092 23.818 -6.191 788 1HG GLU1016 HG1 GLU1016 8.611 22.287 -7.120 789 2HG GLU1016 HG2 GLU1016 8.074 22.639 -8.760 790 H TYR1017 H TYR1017 5.984 22.212 -5.002 791 HA TYR1017 HA TYR1017 7.025 19.565 -5.249 792 1HB TYR1017 HB1 TYR1017 6.194 21.303 -2.953 793 2HB TYR1017 HB2 TYR1017 6.464 19.582 -2.696 794 HD1 TYR1017 HD1 TYR1017 8.252 20.347 -1.069 795 HD2 TYR1017 HD2 TYR1017 8.484 21.066 -5.269 796 HE1 TYR1017 HE1 TYR1017 10.674 20.723 -0.881 797 HE2 TYR1017 HE2 TYR1017 10.899 21.454 -5.079 798 HH TYR1017 HH TYR1017 12.681 20.660 -2.273 799 H LYS1018 H LYS1018 3.884 20.860 -5.352 800 HA LYS1018 HA LYS1018 2.541 18.545 -4.296 801 1HB LYS1018 HB1 LYS1018 1.544 20.835 -4.241 802 2HB LYS1018 HB2 LYS1018 1.379 20.763 -5.990 803 1HG LYS1018 HG1 LYS1018 -0.136 18.885 -5.805 804 2HG LYS1018 HG2 LYS1018 0.077 18.858 -4.053 805 1HD LYS1018 HD1 LYS1018 -2.000 19.963 -4.584 806 2HD LYS1018 HD2 LYS1018 -0.857 21.149 -3.950 807 1HE LYS1018 HE1 LYS1018 -0.343 21.868 -6.233 808 2HE LYS1018 HE2 LYS1018 -1.481 20.679 -6.865 809 1HZ LYS1018 HZ1 LYS1018 -3.263 21.832 -5.674 810 2HZ LYS1018 HZ2 LYS1018 -2.154 22.994 -5.129 811 3HZ LYS1018 HZ3 LYS1018 -2.482 22.856 -6.784 812 H LYS1019 H LYS1019 3.216 19.830 -7.552 813 HA LYS1019 HA LYS1019 1.977 17.667 -8.931 814 1HB LYS1019 HB1 LYS1019 3.023 18.518 -10.911 815 2HB LYS1019 HB2 LYS1019 2.544 19.905 -9.944 816 1HG LYS1019 HG1 LYS1019 4.877 20.061 -9.109 817 2HG LYS1019 HG2 LYS1019 5.318 18.762 -10.216 818 1HD LYS1019 HD1 LYS1019 5.889 20.837 -11.255 819 2HD LYS1019 HD2 LYS1019 4.479 20.186 -12.091 820 1HE LYS1019 HE1 LYS1019 3.025 21.673 -10.831 821 2HE LYS1019 HE2 LYS1019 4.410 22.294 -9.937 822 1HZ LYS1019 HZ1 LYS1019 5.326 23.119 -12.026 823 2HZ LYS1019 HZ2 LYS1019 3.956 22.557 -12.860 824 3HZ LYS1019 HZ3 LYS1019 3.801 23.794 -11.710 825 H GLN1020 H GLN1020 4.894 18.074 -7.261 826 HA GLN1020 HA GLN1020 6.330 15.912 -8.514 827 1HB GLN1020 HB1 GLN1020 7.700 17.610 -7.621 828 2HB GLN1020 HB2 GLN1020 6.819 17.641 -6.100 829 1HG GLN1020 HG1 GLN1020 7.822 15.668 -5.350 830 2HG GLN1020 HG2 GLN1020 8.383 15.238 -6.965 831 1HE2 GLN1020 2HE2 GLN1020 8.638 18.502 -5.889 832 2HE2 GLN1020 1HE2 GLN1020 10.354 18.529 -5.697 833 H MET1021 H MET1021 4.510 16.423 -5.504 834 HA MET1021 HA MET1021 4.924 13.727 -4.639 835 1HB MET1021 HB1 MET1021 3.425 14.201 -2.816 836 2HB MET1021 HB2 MET1021 4.512 15.560 -3.023 837 1HG MET1021 HG1 MET1021 2.443 16.518 -2.583 838 2HG MET1021 HG2 MET1021 2.630 16.663 -4.327 839 1HE MET1021 HE1 MET1021 0.982 14.467 -1.463 840 2HE MET1021 HE2 MET1021 0.029 13.345 -2.434 841 3HE MET1021 HE3 MET1021 1.790 13.297 -2.510 842 H LEU1022 H LEU1022 2.584 15.363 -6.616 843 HA LEU1022 HA LEU1022 0.527 13.444 -6.537 844 1HB LEU1022 HB1 LEU1022 0.300 15.710 -7.499 845 2HB LEU1022 HB2 LEU1022 1.346 15.239 -8.824 846 HG LEU1022 HG LEU1022 -0.331 13.555 -9.519 847 1HD1 LEU1022 1HD1 LEU1022 -2.025 14.809 -7.360 848 2HD1 LEU1022 2HD1 LEU1022 -2.577 13.639 -8.559 849 3HD1 LEU1022 3HD1 LEU1022 -1.381 13.166 -7.351 850 1HD2 LEU1022 1HD2 LEU1022 -0.316 15.748 -10.552 851 2HD2 LEU1022 2HD2 LEU1022 -1.971 15.162 -10.384 852 3HD2 LEU1022 3HD2 LEU1022 -1.349 16.380 -9.271 853 H THR1023 H THR1023 3.344 13.783 -8.646 854 HA THR1023 HA THR1023 2.855 11.496 -10.225 855 HB THR1023 HB THR1023 5.511 12.802 -9.581 856 HG1 THR1023 HG1 THR1023 4.448 14.411 -10.557 857 1HG2 THR1023 1HG2 THR1023 4.668 11.129 -11.953 858 2HG2 THR1023 2HG2 THR1023 6.248 11.877 -11.715 859 3HG2 THR1023 3HG2 THR1023 5.714 10.584 -10.642 860 H ALA1024 H ALA1024 4.310 11.964 -7.091 861 HA ALA1024 HA ALA1024 5.492 9.329 -6.980 862 1HB ALA1024 HB1 ALA1024 5.077 11.350 -4.778 863 2HB ALA1024 HB2 ALA1024 6.060 9.889 -4.676 864 3HB ALA1024 HB3 ALA1024 6.527 11.190 -5.772 865 H ALA1025 H ALA1025 2.587 10.943 -5.847 866 HA ALA1025 HA ALA1025 1.567 8.847 -4.262 867 1HB ALA1025 HB1 ALA1025 0.705 11.136 -4.148 868 2HB ALA1025 HB2 ALA1025 0.051 10.972 -5.778 869 3HB ALA1025 HB3 ALA1025 -0.585 9.978 -4.468 870 H HIS1026 H HIS1026 1.476 9.525 -7.687 871 HA HIS1026 HA HIS1026 -0.351 7.491 -8.400 872 1HB HIS1026 HB1 HIS1026 0.297 9.367 -9.899 873 2HB HIS1026 HB2 HIS1026 1.910 8.682 -10.030 874 HD1 HIS1026 HD1 HIS1026 -1.521 8.409 -11.383 875 HD2 HIS1026 HD2 HIS1026 2.060 6.303 -11.602 876 HE1 HIS1026 HE1 HIS1026 -1.769 6.846 -13.338 877 HE2 HIS1026 HE2 HIS1026 0.482 5.738 -13.575 878 H ALA1027 H ALA1027 3.088 7.570 -7.788 879 HA ALA1027 HA ALA1027 3.610 4.921 -8.744 880 1HB ALA1027 HB1 ALA1027 5.266 6.675 -6.932 881 2HB ALA1027 HB2 ALA1027 5.815 5.220 -7.761 882 3HB ALA1027 HB3 ALA1027 5.351 6.642 -8.693 883 H LEU1028 H LEU1028 3.033 6.379 -5.560 884 HA LEU1028 HA LEU1028 3.475 3.923 -4.176 885 1HB LEU1028 HB1 LEU1028 3.677 5.324 -2.480 886 2HB LEU1028 HB2 LEU1028 3.033 6.649 -3.414 887 HG LEU1028 HG LEU1028 1.277 4.683 -1.937 888 1HD1 LEU1028 1HD1 LEU1028 1.137 6.341 -0.153 889 2HD1 LEU1028 2HD1 LEU1028 2.780 5.726 -0.342 890 3HD1 LEU1028 3HD1 LEU1028 2.357 7.320 -0.968 891 1HD2 LEU1028 1HD2 LEU1028 0.785 7.501 -2.921 892 2HD2 LEU1028 2HD2 LEU1028 0.150 6.028 -3.654 893 3HD2 LEU1028 3HD2 LEU1028 -0.367 6.501 -2.034 894 H ALA1029 H ALA1029 0.626 5.529 -5.468 895 HA ALA1029 HA ALA1029 -1.344 3.794 -4.570 896 1HB ALA1029 HB1 ALA1029 -2.603 4.367 -6.574 897 2HB ALA1029 HB2 ALA1029 -1.797 5.796 -5.926 898 3HB ALA1029 HB3 ALA1029 -1.136 4.977 -7.341 899 H VAL1030 H VAL1030 0.910 3.384 -7.285 900 HA VAL1030 HA VAL1030 0.034 0.851 -8.077 901 HB VAL1030 HB VAL1030 2.802 2.048 -8.285 902 1HG1 VAL1030 1HG1 VAL1030 2.901 -0.358 -8.574 903 2HG1 VAL1030 2HG1 VAL1030 1.585 -0.298 -9.744 904 3HG1 VAL1030 3HG1 VAL1030 3.136 0.446 -10.125 905 1HG2 VAL1030 1HG2 VAL1030 0.512 1.999 -10.247 906 2HG2 VAL1030 2HG2 VAL1030 1.109 3.411 -9.375 907 3HG2 VAL1030 3HG2 VAL1030 2.131 2.618 -10.574 908 H ASP1031 H ASP1031 2.114 1.796 -5.392 909 HA ASP1031 HA ASP1031 3.326 -0.805 -5.261 910 1HB ASP1031 HB1 ASP1031 4.560 -0.096 -3.381 911 2HB ASP1031 HB2 ASP1031 4.505 1.264 -4.485 912 H ALA1032 H ALA1032 0.763 0.846 -3.464 913 HA ALA1032 HA ALA1032 0.145 -1.206 -1.661 914 1HB ALA1032 HB1 ALA1032 -1.730 0.736 -3.015 915 2HB ALA1032 HB2 ALA1032 -2.056 -0.172 -1.537 916 3HB ALA1032 HB3 ALA1032 -0.792 1.060 -1.557 917 H LYS1033 H LYS1033 -1.204 -0.524 -4.890 918 HA LYS1033 HA LYS1033 -2.951 -2.777 -4.774 919 1HB LYS1033 HB1 LYS1033 -3.058 -0.532 -6.199 920 2HB LYS1033 HB2 LYS1033 -2.298 -1.561 -7.407 921 1HG LYS1033 HG1 LYS1033 -4.144 -3.159 -7.207 922 2HG LYS1033 HG2 LYS1033 -4.908 -2.116 -6.007 923 1HD LYS1033 HD1 LYS1033 -5.999 -1.619 -8.023 924 2HD LYS1033 HD2 LYS1033 -4.851 -0.299 -7.792 925 1HE LYS1033 HE1 LYS1033 -3.274 -1.462 -9.298 926 2HE LYS1033 HE2 LYS1033 -4.497 -2.699 -9.583 927 1HZ LYS1033 HZ1 LYS1033 -4.571 0.157 -10.364 928 2HZ LYS1033 HZ2 LYS1033 -4.663 -1.213 -11.363 929 3HZ LYS1033 HZ3 LYS1033 -5.964 -0.816 -10.355 930 H ASN1034 H ASN1034 0.323 -2.353 -5.840 931 HA ASN1034 HA ASN1034 0.376 -4.696 -7.480 932 1HB ASN1034 HB1 ASN1034 2.028 -2.830 -7.683 933 2HB ASN1034 HB2 ASN1034 2.724 -3.338 -6.147 934 1HD2 ASN1034 2HD2 ASN1034 4.024 -5.137 -6.082 935 2HD2 ASN1034 1HD2 ASN1034 4.535 -5.990 -7.494 936 H LEU1035 H LEU1035 0.881 -4.021 -4.068 937 HA LEU1035 HA LEU1035 1.831 -6.695 -3.505 938 1HB LEU1035 HB1 LEU1035 2.480 -4.885 -2.003 939 2HB LEU1035 HB2 LEU1035 0.785 -4.559 -1.632 940 HG LEU1035 HG LEU1035 0.721 -7.004 -0.795 941 1HD1 LEU1035 1HD1 LEU1035 3.687 -6.509 -0.781 942 2HD1 LEU1035 2HD1 LEU1035 2.862 -7.862 -0.007 943 3HD1 LEU1035 3HD1 LEU1035 2.831 -7.698 -1.763 944 1HD2 LEU1035 1HD2 LEU1035 0.573 -5.055 0.672 945 2HD2 LEU1035 2HD2 LEU1035 1.514 -6.355 1.406 946 3HD2 LEU1035 3HD2 LEU1035 2.334 -4.955 0.713 947 H LEU1036 H LEU1036 -1.231 -4.983 -3.488 948 HA LEU1036 HA LEU1036 -2.918 -6.779 -2.336 949 1HB LEU1036 HB1 LEU1036 -4.158 -5.000 -2.912 950 2HB LEU1036 HB2 LEU1036 -3.165 -4.604 -4.288 951 HG LEU1036 HG LEU1036 -5.576 -4.950 -4.776 952 1HD1 LEU1036 1HD1 LEU1036 -3.999 -5.206 -6.584 953 2HD1 LEU1036 2HD1 LEU1036 -3.756 -6.901 -6.159 954 3HD1 LEU1036 3HD1 LEU1036 -5.326 -6.355 -6.750 955 1HD2 LEU1036 1HD2 LEU1036 -5.020 -7.813 -4.071 956 2HD2 LEU1036 2HD2 LEU1036 -6.062 -6.694 -3.191 957 3HD2 LEU1036 3HD2 LEU1036 -6.492 -7.201 -4.826 958 H ASP1037 H ASP1037 -1.618 -6.898 -5.609 959 HA ASP1037 HA ASP1037 -2.906 -9.339 -6.295 960 1HB ASP1037 HB1 ASP1037 -2.000 -7.662 -7.940 961 2HB ASP1037 HB2 ASP1037 -0.378 -8.182 -7.492 962 H VAL1038 H VAL1038 0.330 -8.482 -5.222 963 HA VAL1038 HA VAL1038 1.636 -10.884 -5.069 964 HB VAL1038 HB VAL1038 1.682 -8.535 -3.182 965 1HG1 VAL1038 1HG1 VAL1038 3.714 -9.430 -2.217 966 2HG1 VAL1038 2HG1 VAL1038 2.370 -10.540 -1.954 967 3HG1 VAL1038 3HG1 VAL1038 3.567 -10.885 -3.203 968 1HG2 VAL1038 1HG2 VAL1038 3.822 -8.086 -4.287 969 2HG2 VAL1038 2HG2 VAL1038 3.571 -9.492 -5.323 970 3HG2 VAL1038 3HG2 VAL1038 2.479 -8.112 -5.431 971 H ILE1039 H ILE1039 -0.154 -9.489 -2.319 972 HA ILE1039 HA ILE1039 0.079 -11.958 -0.852 973 HB ILE1039 HB ILE1039 -1.389 -10.662 0.845 974 1HG1 ILE1039 1HG1 ILE1039 -1.098 -8.204 0.690 975 2HG1 ILE1039 2HG1 ILE1039 -0.452 -8.398 -0.934 976 1HG2 ILE1039 1HG2 ILE1039 0.968 -11.170 1.110 977 2HG2 ILE1039 2HG2 ILE1039 1.396 -9.768 0.130 978 3HG2 ILE1039 3HG2 ILE1039 0.612 -9.544 1.692 979 1HD1 ILE1039 1HD1 ILE1039 -2.779 -7.660 -0.914 980 2HD1 ILE1039 2HD1 ILE1039 -2.579 -9.222 -1.709 981 3HD1 ILE1039 3HD1 ILE1039 -3.234 -9.142 -0.072 982 H ASP1040 H ASP1040 -2.580 -10.334 -2.568 983 HA ASP1040 HA ASP1040 -4.671 -12.050 -2.023 984 1HB ASP1040 HB1 ASP1040 -5.025 -10.307 -3.611 985 2HB ASP1040 HB2 ASP1040 -3.685 -10.836 -4.611 986 H GLN1041 H GLN1041 -2.009 -12.435 -4.248 987 HA GLN1041 HA GLN1041 -2.511 -15.195 -4.765 988 1HB GLN1041 HB1 GLN1041 -0.171 -13.406 -5.351 989 2HB GLN1041 HB2 GLN1041 -0.159 -15.128 -5.716 990 1HG GLN1041 HG1 GLN1041 -2.021 -14.878 -7.211 991 2HG GLN1041 HG2 GLN1041 -2.207 -13.183 -6.758 992 1HE2 GLN1041 2HE2 GLN1041 0.616 -12.651 -6.696 993 2HE2 GLN1041 1HE2 GLN1041 1.153 -12.600 -8.337 994 H ALA1042 H ALA1042 -0.419 -13.426 -2.475 995 HA ALA1042 HA ALA1042 1.210 -15.397 -1.585 996 1HB ALA1042 HB1 ALA1042 1.252 -14.252 0.554 997 2HB ALA1042 HB2 ALA1042 1.243 -13.095 -0.779 998 3HB ALA1042 HB3 ALA1042 -0.234 -13.400 0.137 999 H ARG1043 H ARG1043 -1.929 -14.662 -0.105 1000 HA ARG1043 HA ARG1043 -2.157 -16.919 1.467 1001 1HB ARG1043 HB1 ARG1043 -3.766 -14.810 0.934 1002 2HB ARG1043 HB2 ARG1043 -4.647 -16.092 0.114 1003 1HG ARG1043 HG1 ARG1043 -5.449 -15.791 2.383 1004 2HG ARG1043 HG2 ARG1043 -4.713 -17.381 2.181 1005 1HD ARG1043 HD1 ARG1043 -2.771 -16.744 3.358 1006 2HD ARG1043 HD2 ARG1043 -3.182 -15.032 3.260 1007 HE ARG1043 HE ARG1043 -5.246 -16.236 4.651 1008 1HH1 ARG1043 2HH1 ARG1043 -1.782 -15.875 5.112 1009 2HH1 ARG1043 1HH1 ARG1043 -1.904 -15.797 6.846 1010 1HH2 ARG1043 2HH2 ARG1043 -5.389 -16.118 6.908 1011 2HH2 ARG1043 1HH2 ARG1043 -3.945 -15.951 7.859 1012 H LEU1044 H LEU1044 -2.835 -16.569 -1.991 1013 HA LEU1044 HA LEU1044 -3.746 -19.270 -2.305 1014 1HB LEU1044 HB1 LEU1044 -4.368 -17.410 -3.818 1015 2HB LEU1044 HB2 LEU1044 -2.714 -17.338 -4.379 1016 HG LEU1044 HG LEU1044 -4.158 -19.930 -4.664 1017 1HD1 LEU1044 1HD1 LEU1044 -5.808 -18.297 -5.410 1018 2HD1 LEU1044 2HD1 LEU1044 -4.604 -17.537 -6.451 1019 3HD1 LEU1044 3HD1 LEU1044 -5.143 -19.183 -6.782 1020 1HD2 LEU1044 1HD2 LEU1044 -1.800 -19.713 -5.325 1021 2HD2 LEU1044 2HD2 LEU1044 -2.836 -20.047 -6.713 1022 3HD2 LEU1044 3HD2 LEU1044 -2.236 -18.412 -6.434 1023 H LYS1045 H LYS1045 -0.609 -17.730 -2.306 1024 HA LYS1045 HA LYS1045 0.916 -19.761 -3.553 1025 1HB LYS1045 HB1 LYS1045 1.817 -17.963 -1.289 1026 2HB LYS1045 HB2 LYS1045 2.847 -18.800 -2.433 1027 1HG LYS1045 HG1 LYS1045 0.914 -16.650 -3.222 1028 2HG LYS1045 HG2 LYS1045 2.583 -16.338 -2.758 1029 1HD LYS1045 HD1 LYS1045 3.341 -17.786 -4.605 1030 2HD LYS1045 HD2 LYS1045 1.658 -18.026 -5.083 1031 1HE LYS1045 HE1 LYS1045 1.400 -15.649 -5.486 1032 2HE LYS1045 HE2 LYS1045 3.038 -15.350 -4.915 1033 1HZ LYS1045 HZ1 LYS1045 2.290 -16.904 -7.335 1034 2HZ LYS1045 HZ2 LYS1045 2.947 -15.336 -7.312 1035 3HZ LYS1045 HZ3 LYS1045 3.872 -16.648 -6.779 1036 H MET1046 H MET1046 -0.306 -19.246 -0.334 1037 HA MET1046 HA MET1046 1.063 -21.376 0.940 1038 1HB MET1046 HB1 MET1046 -0.164 -19.556 2.132 1039 2HB MET1046 HB2 MET1046 -1.675 -20.275 1.600 1040 1HG MET1046 HG1 MET1046 0.312 -21.856 3.173 1041 2HG MET1046 HG2 MET1046 -0.822 -20.769 3.973 1042 1HE MET1046 HE1 MET1046 -0.598 -23.895 4.582 1043 2HE MET1046 HE2 MET1046 -1.736 -22.826 5.403 1044 3HE MET1046 HE3 MET1046 -2.302 -24.334 4.685 1045 H ILE1047 H ILE1047 -2.017 -21.146 -0.763 1046 HA ILE1047 HA ILE1047 -2.714 -23.878 -0.620 1047 HB ILE1047 HB ILE1047 -3.368 -21.895 -2.812 1048 1HG1 ILE1047 1HG1 ILE1047 -4.109 -21.080 -0.636 1049 2HG1 ILE1047 2HG1 ILE1047 -5.495 -21.584 -1.595 1050 1HG2 ILE1047 1HG2 ILE1047 -5.287 -23.351 -3.279 1051 2HG2 ILE1047 2HG2 ILE1047 -3.753 -24.182 -3.530 1052 3HG2 ILE1047 3HG2 ILE1047 -4.700 -24.499 -2.076 1053 1HD1 ILE1047 1HD1 ILE1047 -5.611 -23.670 -0.343 1054 2HD1 ILE1047 2HD1 ILE1047 -4.210 -23.180 0.609 1055 3HD1 ILE1047 3HD1 ILE1047 -5.717 -22.270 0.725 1056 H SER1048 H SER1048 -0.697 -22.021 -2.846 1057 HA SER1048 HA SER1048 -0.161 -23.979 -4.763 1058 1HB SER1048 HB1 SER1048 0.487 -21.586 -4.982 1059 2HB SER1048 HB2 SER1048 1.721 -21.817 -3.740 1060 HG SER1048 HG SER1048 2.121 -23.697 -5.536 1061 H GLN1049 H GLN1049 1.294 -23.359 -1.625 1062 HA GLN1049 HA GLN1049 3.357 -25.310 -1.865 1063 1HB GLN1049 HB1 GLN1049 3.492 -23.373 -0.339 1064 2HB GLN1049 HB2 GLN1049 2.156 -24.020 0.597 1065 1HG GLN1049 HG1 GLN1049 4.624 -25.652 0.225 1066 2HG GLN1049 HG2 GLN1049 4.609 -24.337 1.396 1067 1HE2 GLN1049 2HE2 GLN1049 1.781 -24.715 2.042 1068 2HE2 GLN1049 1HE2 GLN1049 1.707 -26.141 3.020 1069 H SER1050 H SER1050 0.029 -25.354 -0.873 1070 HA SER1050 HA SER1050 0.217 -27.947 0.392 1071 1HB SER1050 HB1 SER1050 -2.227 -26.285 -0.273 1072 2HB SER1050 HB2 SER1050 -2.184 -27.693 0.790 1073 HG SER1050 HG SER1050 -1.101 -25.116 1.197 1074 H ARG1051 H ARG1051 -0.773 -26.605 -2.677 1075 HA ARG1051 HA ARG1051 -0.705 -29.218 -3.898 1076 1HB ARG1051 HB1 ARG1051 -3.022 -29.163 -3.128 1077 2HB ARG1051 HB2 ARG1051 -3.257 -27.590 -3.872 1078 1HG ARG1051 HG1 ARG1051 -4.271 -29.298 -5.230 1079 2HG ARG1051 HG2 ARG1051 -2.896 -28.598 -6.084 1080 1HD ARG1051 HD1 ARG1051 -1.513 -30.510 -5.392 1081 2HD ARG1051 HD2 ARG1051 -2.913 -31.212 -4.578 1082 HE ARG1051 HE ARG1051 -3.537 -30.664 -7.283 1083 1HH1 ARG1051 2HH1 ARG1051 -1.648 -32.878 -5.326 1084 2HH1 ARG1051 1HH1 ARG1051 -1.779 -34.188 -6.453 1085 1HH2 ARG1051 2HH2 ARG1051 -3.746 -32.407 -8.755 1086 2HH2 ARG1051 1HH2 ARG1051 -2.958 -33.923 -8.409 1087 HA PRO1052 HA PRO1052 0.823 -26.059 -6.731 1088 1HB PRO1052 HB1 PRO1052 2.804 -27.488 -7.789 1089 2HB PRO1052 HB2 PRO1052 2.898 -26.906 -6.121 1090 1HG PRO1052 HG1 PRO1052 2.257 -29.639 -7.145 1091 2HG PRO1052 HG2 PRO1052 3.210 -29.166 -5.728 1092 1HD PRO1052 HD1 PRO1052 0.533 -29.964 -5.704 1093 2HD PRO1052 HD2 PRO1052 1.367 -29.105 -4.395 1094 H HIS1053 H HIS1053 -1.348 -28.210 -7.333 1095 HA HIS1053 HA HIS1053 -1.347 -27.764 -10.180 1096 1HB HIS1053 HB1 HIS1053 -0.015 -29.823 -10.024 1097 2HB HIS1053 HB2 HIS1053 -1.301 -30.591 -9.100 1098 HD1 HIS1053 HD1 HIS1053 -0.771 -29.078 -12.553 1099 HD2 HIS1053 HD2 HIS1053 -3.093 -31.939 -10.621 1100 HE1 HIS1053 HE1 HIS1053 -2.096 -30.216 -14.364 1101 HE2 HIS1053 HE2 HIS1053 -3.629 -31.798 -13.143 Start of MODEL 25 1 1H ARG 920 H ARG 920 -7.074 -19.817 -0.174 2 HA ARG 920 HA ARG 920 -6.502 -17.677 -0.478 3 1HB ARG 920 HB1 ARG 920 -6.084 -18.328 -2.730 4 2HB ARG 920 HB2 ARG 920 -7.788 -18.181 -3.148 5 1HG ARG 920 HG1 ARG 920 -7.681 -15.936 -3.364 6 2HG ARG 920 HG2 ARG 920 -6.465 -15.762 -2.096 7 1HD ARG 920 HD1 ARG 920 -4.733 -16.161 -3.491 8 2HD ARG 920 HD2 ARG 920 -5.670 -17.166 -4.584 9 HE ARG 920 HE ARG 920 -5.742 -14.205 -4.475 10 1HH1 ARG 920 2HH1 ARG 920 -6.337 -17.191 -6.229 11 2HH1 ARG 920 1HH1 ARG 920 -6.454 -16.399 -7.773 12 1HH2 ARG 920 2HH2 ARG 920 -5.864 -13.174 -6.496 13 2HH2 ARG 920 1HH2 ARG 920 -6.147 -14.123 -7.934 14 H SER 921 H SER 921 -9.508 -17.398 -2.352 15 HA SER 921 HA SER 921 -11.300 -16.019 -2.162 16 1HB SER 921 HB1 SER 921 -10.771 -16.263 0.809 17 2HB SER 921 HB2 SER 921 -12.277 -15.723 0.065 18 HG SER 921 HG SER 921 -11.888 -17.963 -1.086 19 H ASN 922 H ASN 922 -8.439 -14.930 -2.038 20 HA ASN 922 HA ASN 922 -7.229 -13.047 -1.551 21 1HB ASN 922 HB1 ASN 922 -9.393 -11.168 -1.984 22 2HB ASN 922 HB2 ASN 922 -7.889 -11.362 -2.870 23 1HD2 ASN 922 2HD2 ASN 922 -7.755 -13.044 -4.420 24 2HD2 ASN 922 1HD2 ASN 922 -9.170 -13.486 -5.335 25 H ASP 923 H ASP 923 -7.886 -14.024 0.641 26 HA ASP 923 HA ASP 923 -9.471 -12.912 2.540 27 1HB ASP 923 HB1 ASP 923 -8.100 -14.937 2.792 28 2HB ASP 923 HB2 ASP 923 -6.645 -13.957 2.845 29 H LYS 924 H LYS 924 -8.265 -11.836 4.580 30 HA LYS 924 HA LYS 924 -8.193 -9.172 4.453 31 1HB LYS 924 HB1 LYS 924 -7.488 -11.009 6.336 32 2HB LYS 924 HB2 LYS 924 -5.953 -10.203 6.063 33 1HG LYS 924 HG1 LYS 924 -8.528 -8.834 6.825 34 2HG LYS 924 HG2 LYS 924 -7.213 -9.236 7.930 35 1HD LYS 924 HD1 LYS 924 -5.712 -7.826 6.508 36 2HD LYS 924 HD2 LYS 924 -7.141 -7.315 5.609 37 1HE LYS 924 HE1 LYS 924 -6.695 -6.937 8.569 38 2HE LYS 924 HE2 LYS 924 -6.487 -5.695 7.336 39 1HZ LYS 924 HZ1 LYS 924 -8.627 -5.434 8.352 40 2HZ LYS 924 HZ2 LYS 924 -8.863 -5.987 6.765 41 3HZ LYS 924 HZ3 LYS 924 -9.028 -7.060 8.068 42 H VAL 925 H VAL 925 -5.653 -11.196 3.204 43 HA VAL 925 HA VAL 925 -3.605 -9.378 2.816 44 HB VAL 925 HB VAL 925 -3.054 -10.805 0.771 45 1HG1 VAL 925 1HG1 VAL 925 -2.030 -11.153 2.955 46 2HG1 VAL 925 2HG1 VAL 925 -3.415 -12.114 3.472 47 3HG1 VAL 925 3HG1 VAL 925 -2.365 -12.705 2.185 48 1HG2 VAL 925 1HG2 VAL 925 -5.309 -11.595 0.284 49 2HG2 VAL 925 2HG2 VAL 925 -4.242 -12.955 0.635 50 3HG2 VAL 925 3HG2 VAL 925 -5.388 -12.393 1.854 51 H TYR 926 H TYR 926 -6.416 -10.046 0.607 52 HA TYR 926 HA TYR 926 -5.372 -8.076 -1.288 53 1HB TYR 926 HB1 TYR 926 -6.600 -9.891 -2.243 54 2HB TYR 926 HB2 TYR 926 -7.913 -9.725 -1.083 55 HD1 TYR 926 HD1 TYR 926 -9.617 -8.025 -1.360 56 HD2 TYR 926 HD2 TYR 926 -6.442 -8.433 -4.160 57 HE1 TYR 926 HE1 TYR 926 -10.834 -6.587 -2.959 58 HE2 TYR 926 HE2 TYR 926 -7.633 -6.997 -5.753 59 HH TYR 926 HH TYR 926 -10.422 -5.187 -4.846 60 H GLU 927 H GLU 927 -7.666 -8.403 1.260 61 HA GLU 927 HA GLU 927 -9.251 -6.135 0.924 62 1HB GLU 927 HB1 GLU 927 -9.489 -8.201 2.449 63 2HB GLU 927 HB2 GLU 927 -8.488 -7.306 3.583 64 1HG GLU 927 HG1 GLU 927 -10.410 -5.488 2.873 65 2HG GLU 927 HG2 GLU 927 -11.276 -7.023 2.920 66 H ASN 928 H ASN 928 -6.402 -6.626 3.005 67 HA ASN 928 HA ASN 928 -6.488 -4.047 4.146 68 1HB ASN 928 HB1 ASN 928 -5.297 -6.173 4.986 69 2HB ASN 928 HB2 ASN 928 -3.979 -5.684 3.928 70 1HD2 ASN 928 2HD2 ASN 928 -3.993 -5.948 6.782 71 2HD2 ASN 928 1HD2 ASN 928 -3.567 -4.394 7.426 72 H VAL 929 H VAL 929 -4.444 -5.384 1.521 73 HA VAL 929 HA VAL 929 -3.073 -3.011 1.017 74 HB VAL 929 HB VAL 929 -3.844 -4.958 -1.154 75 1HG1 VAL 929 1HG1 VAL 929 -1.515 -3.079 -0.776 76 2HG1 VAL 929 2HG1 VAL 929 -1.739 -4.183 -2.134 77 3HG1 VAL 929 3HG1 VAL 929 -2.867 -2.851 -1.885 78 1HG2 VAL 929 1HG2 VAL 929 -1.769 -6.129 -0.646 79 2HG2 VAL 929 2HG2 VAL 929 -1.512 -5.081 0.750 80 3HG2 VAL 929 3HG2 VAL 929 -2.887 -6.187 0.717 81 H THR 930 H THR 930 -6.244 -4.065 -0.101 82 HA THR 930 HA THR 930 -6.739 -1.921 -1.867 83 HB THR 930 HB THR 930 -8.719 -3.400 -0.102 84 HG1 THR 930 HG1 THR 930 -7.738 -4.868 -1.464 85 1HG2 THR 930 1HG2 THR 930 -10.401 -2.701 -1.751 86 2HG2 THR 930 2HG2 THR 930 -9.651 -1.309 -0.971 87 3HG2 THR 930 3HG2 THR 930 -9.175 -1.767 -2.606 88 H GLY 931 H GLY 931 -7.121 -2.358 1.597 89 1HA GLY 931 HA1 GLY 931 -8.123 0.135 2.331 90 2HA GLY 931 HA2 GLY 931 -7.104 -0.875 3.343 91 H LEU 932 H LEU 932 -4.766 -0.755 1.531 92 HA LEU 932 HA LEU 932 -3.652 1.705 2.421 93 1HB LEU 932 HB1 LEU 932 -2.172 -0.112 2.208 94 2HB LEU 932 HB2 LEU 932 -2.742 -0.493 0.591 95 HG LEU 932 HG LEU 932 -1.506 1.341 -0.350 96 1HD1 LEU 932 1HD1 LEU 932 -0.115 2.823 0.993 97 2HD1 LEU 932 2HD1 LEU 932 -1.821 2.998 1.411 98 3HD1 LEU 932 3HD1 LEU 932 -0.742 2.085 2.468 99 1HD2 LEU 932 1HD2 LEU 932 0.767 0.679 0.221 100 2HD2 LEU 932 2HD2 LEU 932 0.173 -0.127 1.673 101 3HD2 LEU 932 3HD2 LEU 932 -0.289 -0.726 0.079 102 H VAL 933 H VAL 933 -5.041 0.591 -0.619 103 HA VAL 933 HA VAL 933 -4.616 3.022 -2.043 104 HB VAL 933 HB VAL 933 -6.810 0.983 -2.467 105 1HG1 VAL 933 1HG1 VAL 933 -5.623 3.010 -4.359 106 2HG1 VAL 933 2HG1 VAL 933 -6.859 1.818 -4.760 107 3HG1 VAL 933 3HG1 VAL 933 -7.216 3.106 -3.609 108 1HG2 VAL 933 1HG2 VAL 933 -5.315 0.000 -4.157 109 2HG2 VAL 933 2HG2 VAL 933 -4.039 1.109 -3.650 110 3HG2 VAL 933 3HG2 VAL 933 -4.649 -0.107 -2.527 111 H LYS 934 H LYS 934 -7.234 1.785 -0.025 112 HA LYS 934 HA LYS 934 -9.020 3.920 -0.330 113 1HB LYS 934 HB1 LYS 934 -8.661 2.214 2.140 114 2HB LYS 934 HB2 LYS 934 -10.086 3.145 1.714 115 1HG LYS 934 HG1 LYS 934 -9.034 0.712 0.282 116 2HG LYS 934 HG2 LYS 934 -10.458 0.792 1.315 117 1HD LYS 934 HD1 LYS 934 -11.447 0.937 -0.741 118 2HD LYS 934 HD2 LYS 934 -11.186 2.650 -0.411 119 1HE LYS 934 HE1 LYS 934 -9.146 2.611 -1.740 120 2HE LYS 934 HE2 LYS 934 -9.348 0.882 -2.027 121 1HZ LYS 934 HZ1 LYS 934 -11.258 2.994 -2.898 122 2HZ LYS 934 HZ2 LYS 934 -10.119 2.234 -3.903 123 3HZ LYS 934 HZ3 LYS 934 -11.384 1.333 -3.221 124 H ALA 935 H ALA 935 -6.117 3.580 1.514 125 HA ALA 935 HA ALA 935 -6.618 5.767 3.281 126 1HB ALA 935 HB1 ALA 935 -4.292 5.546 3.916 127 2HB ALA 935 HB2 ALA 935 -5.085 3.971 3.868 128 3HB ALA 935 HB3 ALA 935 -4.012 4.459 2.557 129 H VAL 936 H VAL 936 -5.112 5.434 0.099 130 HA VAL 936 HA VAL 936 -4.328 8.198 0.146 131 HB VAL 936 HB VAL 936 -3.074 6.565 -1.224 132 1HG1 VAL 936 1HG1 VAL 936 -3.947 5.897 -3.419 133 2HG1 VAL 936 2HG1 VAL 936 -4.912 5.237 -2.099 134 3HG1 VAL 936 3HG1 VAL 936 -5.503 6.624 -3.014 135 1HG2 VAL 936 1HG2 VAL 936 -4.263 8.882 -2.743 136 2HG2 VAL 936 2HG2 VAL 936 -2.865 8.932 -1.670 137 3HG2 VAL 936 3HG2 VAL 936 -2.785 8.024 -3.181 138 H ILE 937 H ILE 937 -7.160 6.442 -0.428 139 HA ILE 937 HA ILE 937 -8.624 8.542 -1.680 140 HB ILE 937 HB ILE 937 -9.597 6.270 0.061 141 1HG1 ILE 937 1HG1 ILE 937 -8.536 5.491 -1.993 142 2HG1 ILE 937 2HG1 ILE 937 -10.277 5.241 -2.079 143 1HG2 ILE 937 1HG2 ILE 937 -11.195 8.099 0.064 144 2HG2 ILE 937 2HG2 ILE 937 -11.174 8.141 -1.699 145 3HG2 ILE 937 3HG2 ILE 937 -11.817 6.731 -0.858 146 1HD1 ILE 937 1HD1 ILE 937 -9.412 6.044 -4.190 147 2HD1 ILE 937 2HD1 ILE 937 -10.484 7.245 -3.470 148 3HD1 ILE 937 3HD1 ILE 937 -8.735 7.466 -3.395 149 H GLU 938 H GLU 938 -8.170 7.453 1.678 150 HA GLU 938 HA GLU 938 -9.320 9.522 3.080 151 1HB GLU 938 HB1 GLU 938 -6.629 8.265 3.693 152 2HB GLU 938 HB2 GLU 938 -7.622 9.169 4.829 153 1HG GLU 938 HG1 GLU 938 -8.280 6.522 3.561 154 2HG GLU 938 HG2 GLU 938 -7.888 6.828 5.253 155 H MET 939 H MET 939 -6.185 9.465 1.479 156 HA MET 939 HA MET 939 -5.268 11.999 2.288 157 1HB MET 939 HB1 MET 939 -3.659 10.614 1.253 158 2HB MET 939 HB2 MET 939 -4.693 10.302 -0.135 159 1HG MET 939 HG1 MET 939 -4.429 12.628 -0.847 160 2HG MET 939 HG2 MET 939 -3.383 12.931 0.534 161 1HE MET 939 HE1 MET 939 -1.903 13.964 -1.620 162 2HE MET 939 HE2 MET 939 -1.245 12.925 -2.884 163 3HE MET 939 HE3 MET 939 -2.983 13.226 -2.806 164 H SER 940 H SER 940 -7.319 10.978 -0.392 165 HA SER 940 HA SER 940 -7.499 13.501 -1.656 166 1HB SER 940 HB1 SER 940 -9.505 11.239 -1.717 167 2HB SER 940 HB2 SER 940 -9.368 12.551 -2.886 168 HG SER 940 HG SER 940 -7.110 10.967 -2.408 169 H SER 941 H SER 941 -9.310 12.002 0.975 170 HA SER 941 HA SER 941 -11.430 13.968 0.857 171 1HB SER 941 HB1 SER 941 -10.798 11.948 3.032 172 2HB SER 941 HB2 SER 941 -12.318 12.817 2.812 173 HG SER 941 HG SER 941 -11.204 10.755 1.235 174 H LYS 942 H LYS 942 -8.612 13.197 2.711 175 HA LYS 942 HA LYS 942 -8.802 15.126 4.721 176 1HB LYS 942 HB1 LYS 942 -6.928 13.155 3.781 177 2HB LYS 942 HB2 LYS 942 -6.084 14.641 4.202 178 1HG LYS 942 HG1 LYS 942 -8.047 13.291 6.027 179 2HG LYS 942 HG2 LYS 942 -6.310 12.968 6.044 180 1HD LYS 942 HD1 LYS 942 -5.797 15.174 6.645 181 2HD LYS 942 HD2 LYS 942 -7.427 15.738 6.256 182 1HE LYS 942 HE1 LYS 942 -6.949 15.532 8.710 183 2HE LYS 942 HE2 LYS 942 -8.345 14.614 8.152 184 1HZ LYS 942 HZ1 LYS 942 -6.976 13.340 9.684 185 2HZ LYS 942 HZ2 LYS 942 -7.001 12.615 8.157 186 3HZ LYS 942 HZ3 LYS 942 -5.638 13.487 8.659 187 H ILE 943 H ILE 943 -7.334 15.227 1.495 188 HA ILE 943 HA ILE 943 -6.118 17.768 1.941 189 HB ILE 943 HB ILE 943 -5.259 16.125 0.270 190 1HG1 ILE 943 1HG1 ILE 943 -4.666 17.785 -1.430 191 2HG1 ILE 943 2HG1 ILE 943 -5.963 18.836 -0.870 192 1HG2 ILE 943 1HG2 ILE 943 -7.348 15.386 -0.701 193 2HG2 ILE 943 2HG2 ILE 943 -7.646 17.001 -1.344 194 3HG2 ILE 943 3HG2 ILE 943 -6.295 16.045 -1.952 195 1HD1 ILE 943 1HD1 ILE 943 -4.840 19.056 1.290 196 2HD1 ILE 943 2HD1 ILE 943 -3.537 18.019 0.709 197 3HD1 ILE 943 3HD1 ILE 943 -3.818 19.588 -0.045 198 H GLN 944 H GLN 944 -9.267 16.743 0.924 199 HA GLN 944 HA GLN 944 -10.151 18.945 -0.492 200 1HB GLN 944 HB1 GLN 944 -11.654 17.156 1.412 201 2HB GLN 944 HB2 GLN 944 -12.438 18.391 0.433 202 1HG GLN 944 HG1 GLN 944 -11.726 17.316 -1.591 203 2HG GLN 944 HG2 GLN 944 -10.768 16.152 -0.680 204 1HE2 GLN 944 2HE2 GLN 944 -11.843 14.407 -1.537 205 2HE2 GLN 944 1HE2 GLN 944 -13.466 13.999 -1.099 206 HA PRO 945 HA PRO 945 -10.776 21.529 3.351 207 1HB PRO 945 HB1 PRO 945 -11.087 20.539 5.791 208 2HB PRO 945 HB2 PRO 945 -12.355 20.344 4.574 209 1HG PRO 945 HG1 PRO 945 -10.433 18.349 5.637 210 2HG PRO 945 HG2 PRO 945 -12.068 18.109 5.001 211 1HD PRO 945 HD1 PRO 945 -9.576 17.770 3.628 212 2HD PRO 945 HD2 PRO 945 -11.214 17.571 2.978 213 H ALA 946 H ALA 946 -8.091 20.025 2.793 214 HA ALA 946 HA ALA 946 -6.679 20.364 5.303 215 1HB ALA 946 HB1 ALA 946 -4.809 19.315 4.211 216 2HB ALA 946 HB2 ALA 946 -6.279 18.387 3.911 217 3HB ALA 946 HB3 ALA 946 -5.620 19.428 2.650 218 HA PRO 947 HA PRO 947 -4.347 23.996 3.965 219 1HB PRO 947 HB1 PRO 947 -3.447 24.185 6.680 220 2HB PRO 947 HB2 PRO 947 -4.586 25.253 5.859 221 1HG PRO 947 HG1 PRO 947 -5.229 23.574 7.959 222 2HG PRO 947 HG2 PRO 947 -6.390 24.231 6.794 223 1HD PRO 947 HD1 PRO 947 -5.102 21.533 6.877 224 2HD PRO 947 HD2 PRO 947 -6.768 21.977 6.440 225 HA PRO 948 HA PRO 948 -0.284 22.071 3.788 226 1HB PRO 948 HB1 PRO 948 1.275 23.589 5.573 227 2HB PRO 948 HB2 PRO 948 1.103 23.862 3.839 228 1HG PRO 948 HG1 PRO 948 -0.272 25.195 6.112 229 2HG PRO 948 HG2 PRO 948 0.214 25.860 4.543 230 1HD PRO 948 HD1 PRO 948 -2.346 25.290 5.086 231 2HD PRO 948 HD2 PRO 948 -1.666 25.023 3.466 232 H GLU 949 H GLU 949 -1.331 22.985 6.989 233 HA GLU 949 HA GLU 949 0.135 21.259 8.564 234 1HB GLU 949 HB1 GLU 949 -2.727 22.124 8.962 235 2HB GLU 949 HB2 GLU 949 -1.643 21.524 10.212 236 1HG GLU 949 HG1 GLU 949 -1.429 24.100 8.678 237 2HG GLU 949 HG2 GLU 949 -1.750 23.895 10.399 238 H GLU 950 H GLU 950 -2.834 20.630 6.716 239 HA GLU 950 HA GLU 950 -2.813 17.871 7.685 240 1HB GLU 950 HB1 GLU 950 -4.874 19.545 6.356 241 2HB GLU 950 HB2 GLU 950 -4.910 17.808 6.073 242 1HG GLU 950 HG1 GLU 950 -6.381 18.312 7.879 243 2HG GLU 950 HG2 GLU 950 -4.983 17.452 8.516 244 H TYR 951 H TYR 951 -1.524 19.597 5.102 245 HA TYR 951 HA TYR 951 -1.707 17.752 3.004 246 1HB TYR 951 HB1 TYR 951 0.315 19.807 3.787 247 2HB TYR 951 HB2 TYR 951 0.794 18.603 2.597 248 HD1 TYR 951 HD1 TYR 951 -1.879 21.103 3.290 249 HD2 TYR 951 HD2 TYR 951 0.303 18.934 0.365 250 HE1 TYR 951 HE1 TYR 951 -2.963 22.420 1.528 251 HE2 TYR 951 HE2 TYR 951 -0.774 20.244 -1.418 252 HH TYR 951 HH TYR 951 -2.689 23.067 -0.717 253 H VAL 952 H VAL 952 0.460 17.913 5.782 254 HA VAL 952 HA VAL 952 1.802 15.507 5.044 255 HB VAL 952 HB VAL 952 3.263 16.599 6.338 256 1HG1 VAL 952 1HG1 VAL 952 2.704 17.970 8.338 257 2HG1 VAL 952 2HG1 VAL 952 1.959 18.532 6.842 258 3HG1 VAL 952 3HG1 VAL 952 0.999 17.646 8.029 259 1HG2 VAL 952 1HG2 VAL 952 3.025 14.469 7.456 260 2HG2 VAL 952 2HG2 VAL 952 3.389 15.728 8.637 261 3HG2 VAL 952 3HG2 VAL 952 1.742 15.115 8.481 262 HA PRO 953 HA PRO 953 -1.160 13.431 8.503 263 1HB PRO 953 HB1 PRO 953 -3.416 15.261 7.826 264 2HB PRO 953 HB2 PRO 953 -3.101 14.372 9.327 265 1HG PRO 953 HG1 PRO 953 -2.534 16.942 9.198 266 2HG PRO 953 HG2 PRO 953 -1.394 15.822 9.971 267 1HD PRO 953 HD1 PRO 953 -1.249 17.128 7.291 268 2HD PRO 953 HD2 PRO 953 0.052 16.754 8.437 269 H MET 954 H MET 954 -2.545 14.907 5.506 270 HA MET 954 HA MET 954 -4.275 12.750 4.977 271 1HB MET 954 HB1 MET 954 -4.411 13.543 2.676 272 2HB MET 954 HB2 MET 954 -4.501 14.893 3.795 273 1HG MET 954 HG1 MET 954 -2.361 15.636 3.254 274 2HG MET 954 HG2 MET 954 -1.921 14.103 2.506 275 1HE MET 954 HE1 MET 954 -1.823 16.632 -0.482 276 2HE MET 954 HE2 MET 954 -1.389 16.970 1.194 277 3HE MET 954 HE3 MET 954 -0.914 15.441 0.450 278 H VAL 955 H VAL 955 -1.049 13.412 3.582 279 HA VAL 955 HA VAL 955 -0.783 10.873 2.468 280 HB VAL 955 HB VAL 955 1.632 12.282 3.576 281 1HG1 VAL 955 1HG1 VAL 955 2.678 11.351 1.601 282 2HG1 VAL 955 2HG1 VAL 955 1.873 10.082 2.525 283 3HG1 VAL 955 3HG1 VAL 955 1.128 10.711 1.055 284 1HG2 VAL 955 1HG2 VAL 955 0.314 14.024 2.500 285 2HG2 VAL 955 2HG2 VAL 955 1.722 13.611 1.516 286 3HG2 VAL 955 3HG2 VAL 955 0.124 13.010 1.067 287 H LYS 956 H LYS 956 -0.496 11.875 5.771 288 HA LYS 956 HA LYS 956 0.997 9.646 6.720 289 1HB LYS 956 HB1 LYS 956 0.564 11.772 7.994 290 2HB LYS 956 HB2 LYS 956 -1.091 11.229 8.225 291 1HG LYS 956 HG1 LYS 956 -0.325 9.318 9.498 292 2HG LYS 956 HG2 LYS 956 1.356 9.770 9.204 293 1HD LYS 956 HD1 LYS 956 -0.675 11.430 10.699 294 2HD LYS 956 HD2 LYS 956 0.600 10.461 11.438 295 1HE LYS 956 HE1 LYS 956 2.289 11.831 10.310 296 2HE LYS 956 HE2 LYS 956 1.013 12.790 9.563 297 1HZ LYS 956 HZ1 LYS 956 1.514 12.570 12.486 298 2HZ LYS 956 HZ2 LYS 956 1.946 13.888 11.508 299 3HZ LYS 956 HZ3 LYS 956 0.311 13.517 11.752 300 H GLU 957 H GLU 957 -2.361 10.247 6.061 301 HA GLU 957 HA GLU 957 -3.559 7.967 7.079 302 1HB GLU 957 HB1 GLU 957 -4.249 9.266 4.429 303 2HB GLU 957 HB2 GLU 957 -5.311 8.268 5.411 304 1HG GLU 957 HG1 GLU 957 -4.156 10.865 6.379 305 2HG GLU 957 HG2 GLU 957 -5.681 10.760 5.504 306 H VAL 958 H VAL 958 -2.019 8.363 3.835 307 HA VAL 958 HA VAL 958 -2.372 5.623 3.146 308 HB VAL 958 HB VAL 958 -1.002 5.942 1.246 309 1HG1 VAL 958 1HG1 VAL 958 -3.062 7.216 1.168 310 2HG1 VAL 958 2HG1 VAL 958 -2.264 8.599 1.916 311 3HG1 VAL 958 3HG1 VAL 958 -1.779 8.066 0.307 312 1HG2 VAL 958 1HG2 VAL 958 0.184 8.370 2.588 313 2HG2 VAL 958 2HG2 VAL 958 0.988 6.821 2.335 314 3HG2 VAL 958 3HG2 VAL 958 0.534 7.816 0.951 315 H GLY 959 H GLY 959 0.050 7.213 5.099 316 1HA GLY 959 HA1 GLY 959 1.995 5.103 4.869 317 2HA GLY 959 HA2 GLY 959 2.004 6.400 6.060 318 H LEU 960 H LEU 960 -0.308 6.029 7.434 319 HA LEU 960 HA LEU 960 0.034 3.805 9.077 320 1HB LEU 960 HB1 LEU 960 -2.514 5.320 8.498 321 2HB LEU 960 HB2 LEU 960 -2.285 4.221 9.844 322 HG LEU 960 HG LEU 960 -0.778 6.802 9.411 323 1HD1 LEU 960 1HD1 LEU 960 -3.104 7.182 10.017 324 2HD1 LEU 960 2HD1 LEU 960 -2.939 6.082 11.388 325 3HD1 LEU 960 3HD1 LEU 960 -2.032 7.595 11.356 326 1HD2 LEU 960 1HD2 LEU 960 0.108 6.411 11.656 327 2HD2 LEU 960 2HD2 LEU 960 -0.717 4.854 11.714 328 3HD2 LEU 960 3HD2 LEU 960 0.580 5.122 10.549 329 H ALA 961 H ALA 961 -1.557 4.109 6.057 330 HA ALA 961 HA ALA 961 -2.996 1.696 6.049 331 1HB ALA 961 HB1 ALA 961 -2.956 1.849 3.625 332 2HB ALA 961 HB2 ALA 961 -3.338 3.402 4.371 333 3HB ALA 961 HB3 ALA 961 -1.724 3.106 3.725 334 H LEU 962 H LEU 962 0.317 2.316 4.663 335 HA LEU 962 HA LEU 962 0.994 -0.323 4.220 336 1HB LEU 962 HB1 LEU 962 2.512 1.271 3.464 337 2HB LEU 962 HB2 LEU 962 2.611 2.065 5.031 338 HG LEU 962 HG LEU 962 3.836 0.068 5.906 339 1HD1 LEU 962 1HD1 LEU 962 4.772 -1.520 4.306 340 2HD1 LEU 962 2HD1 LEU 962 3.009 -1.584 4.324 341 3HD1 LEU 962 3HD1 LEU 962 3.848 -0.761 3.008 342 1HD2 LEU 962 1HD2 LEU 962 5.074 1.426 3.515 343 2HD2 LEU 962 2HD2 LEU 962 5.031 2.058 5.161 344 3HD2 LEU 962 3HD2 LEU 962 5.949 0.595 4.803 345 H ARG 963 H ARG 963 1.327 1.499 7.271 346 HA ARG 963 HA ARG 963 2.429 -0.506 8.832 347 1HB ARG 963 HB1 ARG 963 0.441 1.631 9.610 348 2HB ARG 963 HB2 ARG 963 1.314 0.637 10.766 349 1HG ARG 963 HG1 ARG 963 2.546 2.545 8.786 350 2HG ARG 963 HG2 ARG 963 2.349 2.819 10.518 351 1HD ARG 963 HD1 ARG 963 4.019 0.661 9.229 352 2HD ARG 963 HD2 ARG 963 4.626 2.125 9.998 353 HE ARG 963 HE ARG 963 3.122 0.869 11.927 354 1HH1 ARG 963 2HH1 ARG 963 5.924 0.051 9.972 355 2HH1 ARG 963 1HH1 ARG 963 6.579 -1.047 11.147 356 1HH2 ARG 963 2HH2 ARG 963 3.996 -0.578 13.479 357 2HH2 ARG 963 1HH2 ARG 963 5.480 -1.423 13.126 358 H THR 964 H THR 964 -1.032 0.277 8.582 359 HA THR 964 HA THR 964 -2.070 -1.935 9.870 360 HB THR 964 HB THR 964 -3.265 -0.639 7.412 361 HG1 THR 964 HG1 THR 964 -2.934 0.990 8.866 362 1HG2 THR 964 1HG2 THR 964 -4.389 -2.717 8.075 363 2HG2 THR 964 2HG2 THR 964 -4.560 -2.101 9.719 364 3HG2 THR 964 3HG2 THR 964 -5.412 -1.315 8.390 365 H LEU 965 H LEU 965 -1.097 -1.635 6.498 366 HA LEU 965 HA LEU 965 -1.896 -4.184 5.618 367 1HB LEU 965 HB1 LEU 965 -1.355 -2.448 4.040 368 2HB LEU 965 HB2 LEU 965 0.283 -2.335 4.656 369 HG LEU 965 HG LEU 965 0.809 -4.532 3.772 370 1HD1 LEU 965 1HD1 LEU 965 -1.374 -5.570 4.073 371 2HD1 LEU 965 2HD1 LEU 965 -2.039 -4.562 2.786 372 3HD1 LEU 965 3HD1 LEU 965 -0.801 -5.764 2.416 373 1HD2 LEU 965 1HD2 LEU 965 0.644 -4.030 1.389 374 2HD2 LEU 965 2HD2 LEU 965 -0.552 -2.778 1.731 375 3HD2 LEU 965 3HD2 LEU 965 1.103 -2.600 2.314 376 H LEU 966 H LEU 966 1.028 -3.008 7.104 377 HA LEU 966 HA LEU 966 2.712 -5.197 6.856 378 1HB LEU 966 HB1 LEU 966 3.402 -3.068 7.850 379 2HB LEU 966 HB2 LEU 966 2.422 -3.402 9.264 380 HG LEU 966 HG LEU 966 3.849 -5.375 9.747 381 1HD1 LEU 966 1HD1 LEU 966 4.642 -5.829 7.490 382 2HD1 LEU 966 2HD1 LEU 966 5.533 -4.306 7.485 383 3HD1 LEU 966 3HD1 LEU 966 5.995 -5.594 8.597 384 1HD2 LEU 966 1HD2 LEU 966 5.761 -4.105 10.558 385 2HD2 LEU 966 2HD2 LEU 966 5.324 -2.758 9.505 386 3HD2 LEU 966 3HD2 LEU 966 4.255 -3.226 10.829 387 H ALA 967 H ALA 967 0.071 -4.729 9.172 388 HA ALA 967 HA ALA 967 0.487 -7.074 10.679 389 1HB ALA 967 HB1 ALA 967 -1.062 -5.303 11.366 390 2HB ALA 967 HB2 ALA 967 -2.132 -5.724 10.026 391 3HB ALA 967 HB3 ALA 967 -1.854 -6.879 11.331 392 H THR 968 H THR 968 -1.441 -6.493 7.761 393 HA THR 968 HA THR 968 -2.201 -9.214 7.388 394 HB THR 968 HB THR 968 -2.087 -6.854 5.536 395 HG1 THR 968 HG1 THR 968 -4.410 -8.263 5.916 396 1HG2 THR 968 1HG2 THR 968 -3.022 -9.633 4.833 397 2HG2 THR 968 2HG2 THR 968 -3.169 -8.195 3.823 398 3HG2 THR 968 3HG2 THR 968 -1.575 -8.851 4.198 399 H VAL 969 H VAL 969 0.566 -7.336 6.303 400 HA VAL 969 HA VAL 969 1.852 -9.200 4.706 401 HB VAL 969 HB VAL 969 3.088 -7.260 6.669 402 1HG1 VAL 969 1HG1 VAL 969 5.167 -7.515 5.402 403 2HG1 VAL 969 2HG1 VAL 969 4.686 -9.026 6.173 404 3HG1 VAL 969 3HG1 VAL 969 4.424 -8.796 4.444 405 1HG2 VAL 969 1HG2 VAL 969 1.761 -6.213 4.918 406 2HG2 VAL 969 2HG2 VAL 969 3.479 -5.892 4.679 407 3HG2 VAL 969 3HG2 VAL 969 2.661 -7.102 3.690 408 H ASP 970 H ASP 970 1.523 -9.126 8.190 409 HA ASP 970 HA ASP 970 3.347 -11.293 8.669 410 1HB ASP 970 HB1 ASP 970 3.006 -9.692 10.437 411 2HB ASP 970 HB2 ASP 970 1.267 -9.933 10.390 412 H GLU 971 H GLU 971 0.007 -11.036 7.894 413 HA GLU 971 HA GLU 971 -0.703 -13.756 8.446 414 1HB GLU 971 HB1 GLU 971 -1.802 -12.037 6.209 415 2HB GLU 971 HB2 GLU 971 -2.589 -13.403 6.987 416 1HG GLU 971 HG1 GLU 971 -1.910 -10.827 8.377 417 2HG GLU 971 HG2 GLU 971 -3.479 -11.180 7.644 418 H SER 972 H SER 972 0.318 -12.043 5.563 419 HA SER 972 HA SER 972 0.650 -14.281 3.896 420 1HB SER 972 HB1 SER 972 0.363 -12.078 2.965 421 2HB SER 972 HB2 SER 972 1.837 -11.507 3.760 422 HG SER 972 HG SER 972 2.638 -13.542 2.429 423 H LEU 973 H LEU 973 2.643 -12.927 6.372 424 HA LEU 973 HA LEU 973 5.173 -13.689 5.435 425 1HB LEU 973 HB1 LEU 973 4.757 -12.089 7.274 426 2HB LEU 973 HB2 LEU 973 4.258 -13.416 8.304 427 HG LEU 973 HG LEU 973 6.528 -14.369 8.159 428 1HD1 LEU 973 1HD1 LEU 973 7.116 -11.874 6.577 429 2HD1 LEU 973 2HD1 LEU 973 8.330 -12.989 7.204 430 3HD1 LEU 973 3HD1 LEU 973 7.175 -13.534 5.986 431 1HD2 LEU 973 1HD2 LEU 973 7.627 -12.680 9.534 432 2HD2 LEU 973 2HD2 LEU 973 6.438 -11.482 9.026 433 3HD2 LEU 973 3HD2 LEU 973 5.935 -12.870 9.991 434 HA PRO 974 HA PRO 974 4.672 -17.953 7.723 435 1HB PRO 974 HB1 PRO 974 1.712 -18.183 7.727 436 2HB PRO 974 HB2 PRO 974 2.884 -18.746 8.925 437 1HG PRO 974 HG1 PRO 974 1.361 -16.617 9.409 438 2HG PRO 974 HG2 PRO 974 3.061 -16.660 9.922 439 1HD PRO 974 HD1 PRO 974 1.824 -15.283 7.568 440 2HD PRO 974 HD2 PRO 974 3.079 -14.702 8.680 441 H VAL 975 H VAL 975 2.370 -16.567 5.442 442 HA VAL 975 HA VAL 975 2.367 -18.946 3.773 443 HB VAL 975 HB VAL 975 1.627 -16.235 2.737 444 1HG1 VAL 975 1HG1 VAL 975 0.554 -19.015 2.251 445 2HG1 VAL 975 2HG1 VAL 975 0.017 -17.541 1.442 446 3HG1 VAL 975 3HG1 VAL 975 1.660 -18.132 1.196 447 1HG2 VAL 975 1HG2 VAL 975 0.545 -16.408 4.911 448 2HG2 VAL 975 2HG2 VAL 975 -0.641 -16.574 3.615 449 3HG2 VAL 975 3HG2 VAL 975 -0.081 -18.001 4.486 450 H LEU 976 H LEU 976 4.589 -16.492 4.335 451 HA LEU 976 HA LEU 976 5.823 -16.343 1.799 452 1HB LEU 976 HB1 LEU 976 6.275 -14.582 3.266 453 2HB LEU 976 HB2 LEU 976 6.721 -15.649 4.578 454 HG LEU 976 HG LEU 976 8.441 -15.540 2.126 455 1HD1 LEU 976 1HD1 LEU 976 8.047 -13.205 2.740 456 2HD1 LEU 976 2HD1 LEU 976 8.501 -13.565 4.405 457 3HD1 LEU 976 3HD1 LEU 976 9.699 -13.695 3.116 458 1HD2 LEU 976 1HD2 LEU 976 10.207 -16.007 3.736 459 2HD2 LEU 976 2HD2 LEU 976 9.051 -15.901 5.061 460 3HD2 LEU 976 3HD2 LEU 976 8.916 -17.201 3.876 461 HA PRO 977 HA PRO 977 8.808 -19.858 3.339 462 1HB PRO 977 HB1 PRO 977 7.195 -21.132 5.467 463 2HB PRO 977 HB2 PRO 977 8.934 -20.824 5.406 464 1HG PRO 977 HG1 PRO 977 7.340 -19.392 6.997 465 2HG PRO 977 HG2 PRO 977 8.715 -18.650 6.155 466 1HD PRO 977 HD1 PRO 977 5.801 -18.556 5.473 467 2HD PRO 977 HD2 PRO 977 7.011 -17.260 5.413 468 H ALA 978 H ALA 978 5.309 -20.038 3.487 469 HA ALA 978 HA ALA 978 5.020 -22.590 2.327 470 1HB ALA 978 HB1 ALA 978 3.155 -21.399 3.362 471 2HB ALA 978 HB2 ALA 978 3.203 -20.197 2.073 472 3HB ALA 978 HB3 ALA 978 2.772 -21.866 1.703 473 H SER 979 H SER 979 4.960 -19.363 0.771 474 HA SER 979 HA SER 979 6.342 -20.251 -1.550 475 1HB SER 979 HB1 SER 979 3.343 -20.176 -1.612 476 2HB SER 979 HB2 SER 979 4.256 -19.764 -3.070 477 HG SER 979 HG SER 979 4.973 -22.091 -1.696 478 H THR 980 H THR 980 4.291 -17.870 -0.024 479 HA THR 980 HA THR 980 4.324 -15.800 -1.845 480 HB THR 980 HB THR 980 4.414 -15.374 1.131 481 HG1 THR 980 HG1 THR 980 2.817 -16.841 0.904 482 1HG2 THR 980 1HG2 THR 980 3.026 -13.898 -1.113 483 2HG2 THR 980 2HG2 THR 980 2.965 -13.480 0.600 484 3HG2 THR 980 3HG2 THR 980 4.487 -13.361 -0.284 485 H HIS 981 H HIS 981 6.998 -16.854 0.038 486 HA HIS 981 HA HIS 981 8.441 -14.636 0.664 487 1HB HIS 981 HB1 HIS 981 9.155 -16.871 1.266 488 2HB HIS 981 HB2 HIS 981 9.460 -17.273 -0.417 489 HD1 HIS 981 HD1 HIS 981 10.781 -14.730 2.121 490 HD2 HIS 981 HD2 HIS 981 12.067 -17.094 -1.045 491 HE1 HIS 981 HE1 HIS 981 13.262 -14.390 1.993 492 HE2 HIS 981 HE2 HIS 981 14.038 -16.031 0.251 493 H ARG 982 H ARG 982 7.762 -15.652 -2.538 494 HA ARG 982 HA ARG 982 10.039 -14.330 -3.747 495 1HB ARG 982 HB1 ARG 982 9.115 -16.197 -4.926 496 2HB ARG 982 HB2 ARG 982 7.502 -15.500 -4.888 497 1HG ARG 982 HG1 ARG 982 8.215 -13.734 -6.398 498 2HG ARG 982 HG2 ARG 982 9.850 -14.399 -6.418 499 1HD ARG 982 HD1 ARG 982 9.103 -16.396 -7.482 500 2HD ARG 982 HD2 ARG 982 7.412 -15.958 -7.246 501 HE ARG 982 HE ARG 982 7.719 -14.190 -8.879 502 1HH1 ARG 982 2HH1 ARG 982 10.217 -16.639 -8.720 503 2HH1 ARG 982 1HH1 ARG 982 10.768 -16.369 -10.341 504 1HH2 ARG 982 2HH2 ARG 982 8.429 -13.831 -11.016 505 2HH2 ARG 982 1HH2 ARG 982 9.745 -14.775 -11.653 506 H GLU 983 H GLU 983 6.512 -13.664 -3.714 507 HA GLU 983 HA GLU 983 6.918 -11.069 -4.877 508 1HB GLU 983 HB1 GLU 983 4.610 -12.730 -4.251 509 2HB GLU 983 HB2 GLU 983 4.350 -11.034 -3.944 510 1HG GLU 983 HG1 GLU 983 4.062 -10.622 -6.075 511 2HG GLU 983 HG2 GLU 983 5.647 -11.304 -6.456 512 H ILE 984 H ILE 984 6.106 -12.267 -1.654 513 HA ILE 984 HA ILE 984 5.111 -9.871 -0.645 514 HB ILE 984 HB ILE 984 4.779 -11.980 0.512 515 1HG1 ILE 984 1HG1 ILE 984 5.236 -11.230 2.831 516 2HG1 ILE 984 2HG1 ILE 984 6.287 -9.966 2.205 517 1HG2 ILE 984 1HG2 ILE 984 7.720 -11.829 1.163 518 2HG2 ILE 984 2HG2 ILE 984 6.582 -12.986 1.850 519 3HG2 ILE 984 3HG2 ILE 984 6.933 -13.014 0.122 520 1HD1 ILE 984 1HD1 ILE 984 4.397 -8.931 1.088 521 2HD1 ILE 984 2HD1 ILE 984 3.336 -10.215 1.671 522 3HD1 ILE 984 3HD1 ILE 984 4.094 -9.109 2.817 523 H GLU 985 H GLU 985 8.424 -11.048 -0.830 524 HA GLU 985 HA GLU 985 9.447 -8.782 0.598 525 1HB GLU 985 HB1 GLU 985 11.671 -9.558 -0.053 526 2HB GLU 985 HB2 GLU 985 10.712 -10.845 0.657 527 1HG GLU 985 HG1 GLU 985 10.351 -11.852 -1.462 528 2HG GLU 985 HG2 GLU 985 11.046 -10.463 -2.300 529 H MET 986 H MET 986 9.023 -9.642 -2.827 530 HA MET 986 HA MET 986 10.691 -7.612 -3.827 531 1HB MET 986 HB1 MET 986 9.815 -8.008 -5.988 532 2HB MET 986 HB2 MET 986 9.854 -9.558 -5.167 533 1HG MET 986 HG1 MET 986 7.519 -9.595 -4.905 534 2HG MET 986 HG2 MET 986 7.363 -7.887 -5.316 535 1HE MET 986 HE1 MET 986 8.119 -11.510 -6.699 536 2HE MET 986 HE2 MET 986 8.512 -11.151 -8.381 537 3HE MET 986 HE3 MET 986 9.583 -10.606 -7.091 538 H ALA 987 H ALA 987 7.168 -7.558 -3.324 539 HA ALA 987 HA ALA 987 6.974 -4.864 -4.242 540 1HB ALA 987 HB1 ALA 987 4.899 -6.565 -2.877 541 2HB ALA 987 HB2 ALA 987 4.620 -5.035 -3.711 542 3HB ALA 987 HB3 ALA 987 5.150 -6.450 -4.620 543 H GLN 988 H GLN 988 7.195 -6.501 -1.120 544 HA GLN 988 HA GLN 988 6.348 -4.335 0.459 545 1HB GLN 988 HB1 GLN 988 6.659 -6.644 1.324 546 2HB GLN 988 HB2 GLN 988 8.400 -6.431 1.201 547 1HG GLN 988 HG1 GLN 988 8.256 -4.569 2.810 548 2HG GLN 988 HG2 GLN 988 6.528 -4.875 2.972 549 1HE2 GLN 988 2HE2 GLN 988 6.952 -7.792 2.740 550 2HE2 GLN 988 1HE2 GLN 988 7.567 -8.286 4.278 551 H LYS 989 H LYS 989 9.656 -5.344 -0.470 552 HA LYS 989 HA LYS 989 10.934 -3.041 0.566 553 1HB LYS 989 HB1 LYS 989 11.717 -5.019 -1.569 554 2HB LYS 989 HB2 LYS 989 12.751 -3.667 -1.125 555 1HG LYS 989 HG1 LYS 989 12.883 -4.491 1.156 556 2HG LYS 989 HG2 LYS 989 11.795 -5.820 0.751 557 1HD LYS 989 HD1 LYS 989 14.182 -6.484 0.780 558 2HD LYS 989 HD2 LYS 989 13.408 -6.738 -0.784 559 1HE LYS 989 HE1 LYS 989 15.622 -5.791 -1.080 560 2HE LYS 989 HE2 LYS 989 14.389 -4.647 -1.603 561 1HZ LYS 989 HZ1 LYS 989 16.044 -3.496 -0.355 562 2HZ LYS 989 HZ2 LYS 989 14.631 -3.533 0.577 563 3HZ LYS 989 HZ3 LYS 989 15.914 -4.575 0.946 564 H LEU 990 H LEU 990 9.340 -3.777 -2.428 565 HA LEU 990 HA LEU 990 10.120 -1.567 -3.955 566 1HB LEU 990 HB1 LEU 990 9.076 -3.262 -5.136 567 2HB LEU 990 HB2 LEU 990 7.814 -3.462 -3.942 568 HG LEU 990 HG LEU 990 6.803 -1.355 -4.695 569 1HD1 LEU 990 1HD1 LEU 990 7.542 -0.390 -6.841 570 2HD1 LEU 990 2HD1 LEU 990 8.795 -0.271 -5.604 571 3HD1 LEU 990 3HD1 LEU 990 8.907 -1.505 -6.859 572 1HD2 LEU 990 1HD2 LEU 990 5.974 -2.224 -6.852 573 2HD2 LEU 990 2HD2 LEU 990 7.211 -3.478 -6.782 574 3HD2 LEU 990 3HD2 LEU 990 5.951 -3.407 -5.548 575 H LEU 991 H LEU 991 7.158 -2.032 -1.998 576 HA LEU 991 HA LEU 991 6.349 0.672 -2.409 577 1HB LEU 991 HB1 LEU 991 4.601 0.147 -0.676 578 2HB LEU 991 HB2 LEU 991 4.573 -0.826 -2.127 579 HG LEU 991 HG LEU 991 5.841 -2.594 -0.762 580 1HD1 LEU 991 1HD1 LEU 991 5.490 -2.517 1.644 581 2HD1 LEU 991 2HD1 LEU 991 6.460 -1.142 1.116 582 3HD1 LEU 991 3HD1 LEU 991 4.754 -0.920 1.505 583 1HD2 LEU 991 1HD2 LEU 991 3.538 -2.826 -1.466 584 2HD2 LEU 991 2HD2 LEU 991 3.743 -3.441 0.175 585 3HD2 LEU 991 3HD2 LEU 991 2.995 -1.866 -0.089 586 H ASN 992 H ASN 992 8.412 -0.914 -0.196 587 HA ASN 992 HA ASN 992 8.365 0.894 1.941 588 1HB ASN 992 HB1 ASN 992 9.607 -1.189 2.086 589 2HB ASN 992 HB2 ASN 992 10.661 -0.694 0.766 590 1HD2 ASN 992 2HD2 ASN 992 12.288 0.783 1.146 591 2HD2 ASN 992 1HD2 ASN 992 12.781 1.245 2.738 592 H SER 993 H SER 993 9.936 0.995 -1.209 593 HA SER 993 HA SER 993 11.409 3.384 -0.645 594 1HB SER 993 HB1 SER 993 10.851 1.994 -3.267 595 2HB SER 993 HB2 SER 993 12.020 3.294 -3.025 596 HG SER 993 HG SER 993 13.135 1.944 -1.571 597 H ASP 994 H ASP 994 8.211 2.753 -1.982 598 HA ASP 994 HA ASP 994 8.163 5.561 -2.881 599 1HB ASP 994 HB1 ASP 994 6.790 3.168 -3.947 600 2HB ASP 994 HB2 ASP 994 5.913 4.697 -4.019 601 H LEU 995 H LEU 995 6.406 3.298 -0.789 602 HA LEU 995 HA LEU 995 4.769 5.392 0.248 603 1HB LEU 995 HB1 LEU 995 5.615 2.722 1.371 604 2HB LEU 995 HB2 LEU 995 4.727 3.868 2.359 605 HG LEU 995 HG LEU 995 2.810 3.756 0.913 606 1HD1 LEU 995 1HD1 LEU 995 3.947 3.558 -1.251 607 2HD1 LEU 995 2HD1 LEU 995 4.435 1.911 -0.847 608 3HD1 LEU 995 3HD1 LEU 995 2.727 2.301 -1.051 609 1HD2 LEU 995 1HD2 LEU 995 2.947 2.057 2.575 610 2HD2 LEU 995 2HD2 LEU 995 2.249 1.379 1.101 611 3HD2 LEU 995 3HD2 LEU 995 3.927 1.038 1.514 612 H ALA 996 H ALA 996 8.075 4.593 0.478 613 HA ALA 996 HA ALA 996 8.710 6.326 2.665 614 1HB ALA 996 HB1 ALA 996 10.418 5.648 0.269 615 2HB ALA 996 HB2 ALA 996 10.976 6.439 1.743 616 3HB ALA 996 HB3 ALA 996 10.392 4.776 1.803 617 H GLU 997 H GLU 997 8.528 6.802 -0.841 618 HA GLU 997 HA GLU 997 8.807 9.539 -0.903 619 1HB GLU 997 HB1 GLU 997 6.979 7.877 -2.627 620 2HB GLU 997 HB2 GLU 997 7.505 9.528 -2.970 621 1HG GLU 997 HG1 GLU 997 9.379 7.213 -2.608 622 2HG GLU 997 HG2 GLU 997 8.768 7.746 -4.175 623 H LEU 998 H LEU 998 5.905 7.694 0.030 624 HA LEU 998 HA LEU 998 4.159 9.891 0.111 625 1HB LEU 998 HB1 LEU 998 2.676 8.591 1.268 626 2HB LEU 998 HB2 LEU 998 3.692 7.351 0.577 627 HG LEU 998 HG LEU 998 4.927 7.435 2.875 628 1HD1 LEU 998 1HD1 LEU 998 2.251 8.603 3.616 629 2HD1 LEU 998 2HD1 LEU 998 3.444 7.967 4.749 630 3HD1 LEU 998 3HD1 LEU 998 3.819 9.392 3.780 631 1HD2 LEU 998 1HD2 LEU 998 2.176 6.248 2.560 632 2HD2 LEU 998 2HD2 LEU 998 3.697 5.520 2.046 633 3HD2 LEU 998 3HD2 LEU 998 3.372 5.763 3.762 634 H ILE 999 H ILE 999 6.615 8.788 2.311 635 HA ILE 999 HA ILE 999 6.125 10.604 4.418 636 HB ILE 999 HB ILE 999 8.541 9.085 3.543 637 1HG1 ILE 999 1HG1 ILE 999 8.459 8.348 5.936 638 2HG1 ILE 999 2HG1 ILE 999 7.025 9.343 6.146 639 1HG2 ILE 999 1HG2 ILE 999 9.912 10.114 5.315 640 2HG2 ILE 999 2HG2 ILE 999 9.515 11.245 4.022 641 3HG2 ILE 999 3HG2 ILE 999 8.655 11.325 5.560 642 1HD1 ILE 999 1HD1 ILE 999 6.452 7.009 5.840 643 2HD1 ILE 999 2HD1 ILE 999 5.845 7.988 4.502 644 3HD1 ILE 999 3HD1 ILE 999 7.287 6.997 4.287 645 H ASN1000 H ASN1000 8.056 10.895 1.466 646 HA ASN1000 HA ASN1000 8.758 13.640 1.984 647 1HB ASN1000 HB1 ASN1000 8.973 11.943 -0.518 648 2HB ASN1000 HB2 ASN1000 9.567 13.596 -0.394 649 1HD2 ASN1000 2HD2 ASN1000 11.018 11.120 -0.917 650 2HD2 ASN1000 1HD2 ASN1000 12.228 11.019 0.313 651 H LYS1001 H LYS1001 6.027 12.052 0.536 652 HA LYS1001 HA LYS1001 5.059 14.239 -0.972 653 1HB LYS1001 HB1 LYS1001 3.634 11.947 0.383 654 2HB LYS1001 HB2 LYS1001 2.796 13.147 -0.589 655 1HG LYS1001 HG1 LYS1001 3.983 12.476 -2.556 656 2HG LYS1001 HG2 LYS1001 5.024 11.406 -1.618 657 1HD LYS1001 HD1 LYS1001 3.403 10.028 -2.667 658 2HD LYS1001 HD2 LYS1001 2.953 10.130 -0.968 659 1HE LYS1001 HE1 LYS1001 1.743 11.843 -3.133 660 2HE LYS1001 HE2 LYS1001 1.055 10.313 -2.604 661 1HZ LYS1001 HZ1 LYS1001 -0.075 12.019 -1.463 662 2HZ LYS1001 HZ2 LYS1001 0.959 11.312 -0.329 663 3HZ LYS1001 HZ3 LYS1001 1.363 12.800 -1.025 664 H MET1002 H MET1002 4.605 13.231 2.365 665 HA MET1002 HA MET1002 2.878 15.435 3.000 666 1HB MET1002 HB1 MET1002 2.910 14.609 5.253 667 2HB MET1002 HB2 MET1002 2.784 13.217 4.190 668 1HG MET1002 HG1 MET1002 5.112 12.702 4.509 669 2HG MET1002 HG2 MET1002 5.344 14.174 5.449 670 1HE MET1002 HE1 MET1002 2.917 10.514 6.855 671 2HE MET1002 HE2 MET1002 2.356 11.581 5.568 672 3HE MET1002 HE3 MET1002 3.802 10.597 5.332 673 H LYS1003 H LYS1003 6.230 14.544 3.254 674 HA LYS1003 HA LYS1003 7.072 16.680 4.887 675 1HB LYS1003 HB1 LYS1003 8.368 14.621 4.557 676 2HB LYS1003 HB2 LYS1003 8.577 15.012 2.861 677 1HG LYS1003 HG1 LYS1003 10.599 15.527 3.918 678 2HG LYS1003 HG2 LYS1003 9.805 17.070 3.601 679 1HD LYS1003 HD1 LYS1003 9.178 17.320 5.870 680 2HD LYS1003 HD2 LYS1003 9.587 15.642 6.238 681 1HE LYS1003 HE1 LYS1003 11.548 17.785 5.424 682 2HE LYS1003 HE2 LYS1003 11.281 17.219 7.073 683 1HZ LYS1003 HZ1 LYS1003 12.011 15.017 6.400 684 2HZ LYS1003 HZ2 LYS1003 12.264 15.551 4.812 685 3HZ LYS1003 HZ3 LYS1003 13.214 16.168 6.075 686 H LEU1004 H LEU1004 7.611 16.155 1.394 687 HA LEU1004 HA LEU1004 8.736 18.553 0.837 688 1HB LEU1004 HB1 LEU1004 8.270 16.466 -0.675 689 2HB LEU1004 HB2 LEU1004 6.885 17.407 -1.189 690 HG LEU1004 HG LEU1004 9.745 18.377 -1.398 691 1HD1 LEU1004 1HD1 LEU1004 9.566 17.878 -3.779 692 2HD1 LEU1004 2HD1 LEU1004 9.405 16.418 -2.802 693 3HD1 LEU1004 3HD1 LEU1004 7.975 17.166 -3.515 694 1HD2 LEU1004 1HD2 LEU1004 8.803 20.048 -2.955 695 2HD2 LEU1004 2HD2 LEU1004 7.185 19.434 -2.612 696 3HD2 LEU1004 3HD2 LEU1004 8.124 20.200 -1.331 697 H ALA1005 H ALA1005 5.238 17.900 0.423 698 HA ALA1005 HA ALA1005 4.700 20.450 -0.612 699 1HB ALA1005 HB1 ALA1005 3.143 18.570 -0.793 700 2HB ALA1005 HB2 ALA1005 2.845 18.653 0.944 701 3HB ALA1005 HB3 ALA1005 2.365 19.992 -0.099 702 H GLN1006 H GLN1006 4.216 19.212 2.657 703 HA GLN1006 HA GLN1006 3.534 21.698 3.793 704 1HB GLN1006 HB1 GLN1006 3.079 20.428 5.591 705 2HB GLN1006 HB2 GLN1006 3.447 19.072 4.534 706 1HG GLN1006 HG1 GLN1006 4.865 18.463 6.139 707 2HG GLN1006 HG2 GLN1006 5.918 19.705 5.464 708 1HE2 GLN1006 2HE2 GLN1006 5.737 18.690 8.193 709 2HE2 GLN1006 1HE2 GLN1006 5.407 20.062 9.194 710 H GLN1007 H GLN1007 6.542 20.386 2.858 711 HA GLN1007 HA GLN1007 8.119 21.863 4.809 712 1HB GLN1007 HB1 GLN1007 8.564 19.511 3.671 713 2HB GLN1007 HB2 GLN1007 9.285 20.509 2.420 714 1HG GLN1007 HG1 GLN1007 10.920 19.653 4.001 715 2HG GLN1007 HG2 GLN1007 10.856 21.421 4.010 716 1HE2 GLN1007 2HE2 GLN1007 8.368 19.496 5.500 717 2HE2 GLN1007 1HE2 GLN1007 8.793 19.861 7.146 718 H TYR1008 H TYR1008 7.260 21.964 1.439 719 HA TYR1008 HA TYR1008 9.082 24.219 0.962 720 1HB TYR1008 HB1 TYR1008 8.803 21.902 -0.353 721 2HB TYR1008 HB2 TYR1008 7.563 22.825 -1.185 722 HD1 TYR1008 HD1 TYR1008 8.744 22.491 -3.231 723 HD2 TYR1008 HD2 TYR1008 10.535 24.593 -0.007 724 HE1 TYR1008 HE1 TYR1008 10.441 23.389 -4.775 725 HE2 TYR1008 HE2 TYR1008 12.237 25.515 -1.534 726 HH TYR1008 HH TYR1008 11.929 25.442 -4.864 727 H VAL1009 H VAL1009 6.193 23.844 2.098 728 HA VAL1009 HA VAL1009 4.162 24.753 0.592 729 HB VAL1009 HB VAL1009 3.825 24.059 2.873 730 1HG1 VAL1009 1HG1 VAL1009 5.190 26.626 3.690 731 2HG1 VAL1009 2HG1 VAL1009 4.379 25.502 4.782 732 3HG1 VAL1009 3HG1 VAL1009 5.818 24.992 3.900 733 1HG2 VAL1009 1HG2 VAL1009 2.089 25.454 1.902 734 2HG2 VAL1009 2HG2 VAL1009 2.237 25.784 3.628 735 3HG2 VAL1009 3HG2 VAL1009 2.916 26.910 2.454 736 H MET1010 H MET1010 3.708 26.450 -0.573 737 HA MET1010 HA MET1010 4.330 29.111 0.405 738 1HB MET1010 HB1 MET1010 6.280 28.348 -1.043 739 2HB MET1010 HB2 MET1010 5.162 28.360 -2.400 740 1HG MET1010 HG1 MET1010 4.779 30.720 -2.124 741 2HG MET1010 HG2 MET1010 5.776 30.743 -0.670 742 1HE MET1010 HE1 MET1010 8.411 30.238 -0.692 743 2HE MET1010 HE2 MET1010 8.146 28.747 -1.597 744 3HE MET1010 HE3 MET1010 9.330 29.924 -2.166 745 H THR1011 H THR1011 1.942 28.207 0.506 746 HA THR1011 HA THR1011 -0.221 28.469 -0.064 747 HB THR1011 HB THR1011 0.751 30.958 -1.469 748 HG1 THR1011 HG1 THR1011 0.938 30.195 1.121 749 1HG2 THR1011 1HG2 THR1011 -1.434 31.858 -0.824 750 2HG2 THR1011 2HG2 THR1011 -1.625 30.423 -1.832 751 3HG2 THR1011 3HG2 THR1011 -1.863 30.313 -0.089 752 H SER1012 H SER1012 0.678 30.107 -3.067 753 HA SER1012 HA SER1012 -1.169 28.394 -4.466 754 1HB SER1012 HB1 SER1012 -0.995 30.839 -4.905 755 2HB SER1012 HB2 SER1012 0.619 30.577 -5.565 756 HG SER1012 HG SER1012 -0.327 30.149 -7.375 757 H LEU1013 H LEU1013 2.267 28.668 -4.105 758 HA LEU1013 HA LEU1013 2.886 26.986 -6.352 759 1HB LEU1013 HB1 LEU1013 4.584 27.923 -4.043 760 2HB LEU1013 HB2 LEU1013 5.186 26.978 -5.389 761 HG LEU1013 HG LEU1013 4.074 29.779 -5.511 762 1HD1 LEU1013 1HD1 LEU1013 6.313 30.381 -6.215 763 2HD1 LEU1013 2HD1 LEU1013 6.360 29.576 -4.646 764 3HD1 LEU1013 3HD1 LEU1013 6.823 28.695 -6.103 765 1HD2 LEU1013 1HD2 LEU1013 5.015 27.981 -7.744 766 2HD2 LEU1013 2HD2 LEU1013 3.364 28.544 -7.477 767 3HD2 LEU1013 3HD2 LEU1013 4.630 29.695 -7.904 768 H GLN1014 H GLN1014 1.550 26.386 -3.385 769 HA GLN1014 HA GLN1014 2.849 24.046 -2.531 770 1HB GLN1014 HB1 GLN1014 1.120 25.364 -1.227 771 2HB GLN1014 HB2 GLN1014 -0.112 24.604 -2.233 772 1HG GLN1014 HG1 GLN1014 0.294 23.510 -0.001 773 2HG GLN1014 HG2 GLN1014 0.434 22.436 -1.396 774 1HE2 GLN1014 2HE2 GLN1014 2.481 21.923 -2.170 775 2HE2 GLN1014 1HE2 GLN1014 3.862 21.972 -1.101 776 H GLN1015 H GLN1015 0.718 24.692 -5.065 777 HA GLN1015 HA GLN1015 -0.372 22.148 -5.569 778 1HB GLN1015 HB1 GLN1015 -1.292 24.241 -6.375 779 2HB GLN1015 HB2 GLN1015 0.144 24.521 -7.334 780 1HG GLN1015 HG1 GLN1015 -1.424 22.054 -7.856 781 2HG GLN1015 HG2 GLN1015 -2.093 23.597 -8.384 782 1HE2 GLN1015 2HE2 GLN1015 -0.908 24.845 -9.896 783 2HE2 GLN1015 1HE2 GLN1015 0.228 24.091 -10.963 784 H GLU1016 H GLU1016 2.455 23.827 -6.902 785 HA GLU1016 HA GLU1016 3.492 21.960 -8.603 786 1HB GLU1016 HB1 GLU1016 4.583 24.069 -8.313 787 2HB GLU1016 HB2 GLU1016 4.897 23.749 -6.617 788 1HG GLU1016 HG1 GLU1016 6.911 23.590 -7.951 789 2HG GLU1016 HG2 GLU1016 6.519 22.045 -7.210 790 H TYR1017 H TYR1017 4.069 22.052 -5.086 791 HA TYR1017 HA TYR1017 5.494 19.581 -5.077 792 1HB TYR1017 HB1 TYR1017 4.274 20.762 -2.589 793 2HB TYR1017 HB2 TYR1017 5.847 19.992 -2.815 794 HD1 TYR1017 HD1 TYR1017 4.650 22.957 -1.884 795 HD2 TYR1017 HD2 TYR1017 7.002 21.362 -5.041 796 HE1 TYR1017 HE1 TYR1017 5.618 25.176 -2.282 797 HE2 TYR1017 HE2 TYR1017 7.992 23.551 -5.424 798 HH TYR1017 HH TYR1017 7.622 26.162 -3.262 799 H LYS1018 H LYS1018 2.189 20.453 -4.887 800 HA LYS1018 HA LYS1018 1.154 17.983 -3.925 801 1HB LYS1018 HB1 LYS1018 -0.174 20.041 -3.949 802 2HB LYS1018 HB2 LYS1018 -0.076 20.100 -5.702 803 1HG LYS1018 HG1 LYS1018 -2.213 19.285 -5.214 804 2HG LYS1018 HG2 LYS1018 -1.276 17.876 -5.711 805 1HD LYS1018 HD1 LYS1018 -1.017 17.163 -3.444 806 2HD LYS1018 HD2 LYS1018 -1.710 18.669 -2.834 807 1HE LYS1018 HE1 LYS1018 -3.122 16.518 -4.408 808 2HE LYS1018 HE2 LYS1018 -3.376 16.933 -2.714 809 1HZ LYS1018 HZ1 LYS1018 -3.969 18.669 -5.052 810 2HZ LYS1018 HZ2 LYS1018 -5.109 17.891 -4.068 811 3HZ LYS1018 HZ3 LYS1018 -4.147 19.132 -3.432 812 H LYS1019 H LYS1019 1.695 19.331 -7.156 813 HA LYS1019 HA LYS1019 0.887 17.169 -8.731 814 1HB LYS1019 HB1 LYS1019 1.431 19.400 -9.608 815 2HB LYS1019 HB2 LYS1019 3.118 19.168 -9.175 816 1HG LYS1019 HG1 LYS1019 2.985 17.122 -10.762 817 2HG LYS1019 HG2 LYS1019 1.548 17.932 -11.393 818 1HD LYS1019 HD1 LYS1019 4.339 19.076 -11.238 819 2HD LYS1019 HD2 LYS1019 3.496 18.562 -12.699 820 1HE LYS1019 HE1 LYS1019 2.520 20.761 -10.881 821 2HE LYS1019 HE2 LYS1019 3.526 21.039 -12.301 822 1HZ LYS1019 HZ1 LYS1019 1.167 21.361 -12.764 823 2HZ LYS1019 HZ2 LYS1019 1.809 20.090 -13.683 824 3HZ LYS1019 HZ3 LYS1019 0.847 19.755 -12.328 825 H GLN1020 H GLN1020 4.172 18.059 -7.828 826 HA GLN1020 HA GLN1020 5.568 15.822 -8.472 827 1HB GLN1020 HB1 GLN1020 5.917 17.475 -5.973 828 2HB GLN1020 HB2 GLN1020 7.109 16.334 -6.589 829 1HG GLN1020 HG1 GLN1020 7.243 17.627 -8.671 830 2HG GLN1020 HG2 GLN1020 6.089 18.782 -8.008 831 1HE2 GLN1020 2HE2 GLN1020 7.521 20.459 -8.192 832 2HE2 GLN1020 1HE2 GLN1020 8.897 20.633 -7.143 833 H MET1021 H MET1021 3.601 16.192 -5.529 834 HA MET1021 HA MET1021 4.332 13.582 -4.583 835 1HB MET1021 HB1 MET1021 3.215 14.079 -2.673 836 2HB MET1021 HB2 MET1021 3.361 15.719 -3.288 837 1HG MET1021 HG1 MET1021 1.133 15.780 -3.984 838 2HG MET1021 HG2 MET1021 0.964 14.028 -3.898 839 1HE MET1021 HE1 MET1021 2.543 16.553 -1.312 840 2HE MET1021 HE2 MET1021 1.120 17.382 -1.943 841 3HE MET1021 HE3 MET1021 1.159 16.844 -0.262 842 H LEU1022 H LEU1022 1.910 14.830 -6.720 843 HA LEU1022 HA LEU1022 0.056 12.685 -6.497 844 1HB LEU1022 HB1 LEU1022 -0.577 14.833 -7.470 845 2HB LEU1022 HB2 LEU1022 0.576 14.606 -8.770 846 HG LEU1022 HG LEU1022 -0.733 12.656 -9.558 847 1HD1 LEU1022 1HD1 LEU1022 -2.992 12.308 -8.689 848 2HD1 LEU1022 2HD1 LEU1022 -1.767 12.011 -7.455 849 3HD1 LEU1022 3HD1 LEU1022 -2.694 13.513 -7.435 850 1HD2 LEU1022 1HD2 LEU1022 -2.293 15.222 -9.302 851 2HD2 LEU1022 2HD2 LEU1022 -1.086 14.857 -10.536 852 3HD2 LEU1022 3HD2 LEU1022 -2.593 13.940 -10.477 853 H THR1023 H THR1023 2.820 13.330 -8.588 854 HA THR1023 HA THR1023 2.638 10.982 -10.137 855 HB THR1023 HB THR1023 5.175 12.455 -9.390 856 HG1 THR1023 HG1 THR1023 4.435 14.049 -10.570 857 1HG2 THR1023 1HG2 THR1023 5.964 11.675 -11.573 858 2HG2 THR1023 2HG2 THR1023 5.511 10.312 -10.550 859 3HG2 THR1023 3HG2 THR1023 4.430 10.844 -11.838 860 H ALA1024 H ALA1024 3.985 11.679 -6.992 861 HA ALA1024 HA ALA1024 5.260 9.107 -6.698 862 1HB ALA1024 HB1 ALA1024 5.722 9.807 -4.419 863 2HB ALA1024 HB2 ALA1024 6.125 11.101 -5.549 864 3HB ALA1024 HB3 ALA1024 4.638 11.186 -4.605 865 H ALA1025 H ALA1025 2.171 10.531 -6.039 866 HA ALA1025 HA ALA1025 1.196 8.547 -4.247 867 1HB ALA1025 HB1 ALA1025 0.177 10.772 -4.404 868 2HB ALA1025 HB2 ALA1025 -0.348 10.414 -6.049 869 3HB ALA1025 HB3 ALA1025 -1.007 9.499 -4.692 870 H HIS1026 H HIS1026 1.123 8.981 -7.739 871 HA HIS1026 HA HIS1026 -0.463 6.712 -8.319 872 1HB HIS1026 HB1 HIS1026 -0.031 8.507 -9.965 873 2HB HIS1026 HB2 HIS1026 1.664 8.039 -10.024 874 HD1 HIS1026 HD1 HIS1026 -1.596 7.330 -11.542 875 HD2 HIS1026 HD2 HIS1026 2.085 5.413 -11.203 876 HE1 HIS1026 HE1 HIS1026 -1.609 5.507 -13.280 877 HE2 HIS1026 HE2 HIS1026 0.611 4.335 -13.034 878 H ALA1027 H ALA1027 3.021 7.222 -8.032 879 HA ALA1027 HA ALA1027 3.826 4.621 -8.715 880 1HB ALA1027 HB1 ALA1027 5.940 5.182 -7.663 881 2HB ALA1027 HB2 ALA1027 5.349 6.544 -8.617 882 3HB ALA1027 HB3 ALA1027 5.194 6.563 -6.861 883 H LEU1028 H LEU1028 3.241 6.072 -5.507 884 HA LEU1028 HA LEU1028 3.805 3.690 -4.090 885 1HB LEU1028 HB1 LEU1028 3.924 5.263 -2.528 886 2HB LEU1028 HB2 LEU1028 2.965 6.389 -3.450 887 HG LEU1028 HG LEU1028 1.702 4.210 -1.786 888 1HD1 LEU1028 1HD1 LEU1028 2.428 7.004 -0.936 889 2HD1 LEU1028 2HD1 LEU1028 1.453 5.860 -0.011 890 3HD1 LEU1028 3HD1 LEU1028 3.153 5.513 -0.337 891 1HD2 LEU1028 1HD2 LEU1028 -0.216 5.717 -1.783 892 2HD2 LEU1028 2HD2 LEU1028 0.691 6.899 -2.728 893 3HD2 LEU1028 3HD2 LEU1028 0.264 5.341 -3.438 894 H ALA1029 H ALA1029 0.826 5.028 -5.389 895 HA ALA1029 HA ALA1029 -0.984 3.144 -4.473 896 1HB ALA1029 HB1 ALA1029 -0.959 4.403 -7.214 897 2HB ALA1029 HB2 ALA1029 -2.346 3.649 -6.428 898 3HB ALA1029 HB3 ALA1029 -1.645 5.121 -5.756 899 H VAL1030 H VAL1030 1.163 2.926 -7.298 900 HA VAL1030 HA VAL1030 0.299 0.349 -8.110 901 HB VAL1030 HB VAL1030 2.954 1.717 -8.614 902 1HG1 VAL1030 1HG1 VAL1030 1.694 -0.662 -9.979 903 2HG1 VAL1030 2HG1 VAL1030 3.159 0.163 -10.512 904 3HG1 VAL1030 3HG1 VAL1030 3.134 -0.679 -8.961 905 1HG2 VAL1030 1HG2 VAL1030 1.107 3.015 -9.478 906 2HG2 VAL1030 2HG2 VAL1030 1.988 2.264 -10.810 907 3HG2 VAL1030 3HG2 VAL1030 0.445 1.591 -10.281 908 H ASP1031 H ASP1031 2.842 1.505 -5.989 909 HA ASP1031 HA ASP1031 4.049 -0.956 -5.442 910 1HB ASP1031 HB1 ASP1031 3.858 1.624 -3.917 911 2HB ASP1031 HB2 ASP1031 4.696 0.227 -3.247 912 H ALA1032 H ALA1032 1.406 0.724 -3.662 913 HA ALA1032 HA ALA1032 0.658 -1.310 -1.913 914 1HB ALA1032 HB1 ALA1032 -0.382 0.909 -2.007 915 2HB ALA1032 HB2 ALA1032 -1.140 0.486 -3.542 916 3HB ALA1032 HB3 ALA1032 -1.585 -0.379 -2.070 917 H LYS1033 H LYS1033 -0.464 -0.782 -5.254 918 HA LYS1033 HA LYS1033 -2.189 -3.017 -5.219 919 1HB LYS1033 HB1 LYS1033 -1.211 -1.281 -7.460 920 2HB LYS1033 HB2 LYS1033 -2.292 -2.642 -7.740 921 1HG LYS1033 HG1 LYS1033 -3.821 -1.609 -6.011 922 2HG LYS1033 HG2 LYS1033 -2.805 -0.172 -6.114 923 1HD LYS1033 HD1 LYS1033 -3.334 0.134 -8.414 924 2HD LYS1033 HD2 LYS1033 -4.127 -1.441 -8.501 925 1HE LYS1033 HE1 LYS1033 -5.790 -0.630 -6.842 926 2HE LYS1033 HE2 LYS1033 -5.039 0.962 -6.926 927 1HZ LYS1033 HZ1 LYS1033 -7.044 0.671 -8.338 928 2HZ LYS1033 HZ2 LYS1033 -5.670 1.180 -9.192 929 3HZ LYS1033 HZ3 LYS1033 -6.178 -0.441 -9.282 930 H ASN1034 H ASN1034 1.192 -2.833 -6.053 931 HA ASN1034 HA ASN1034 1.212 -5.324 -7.463 932 1HB ASN1034 HB1 ASN1034 3.058 -3.581 -7.572 933 2HB ASN1034 HB2 ASN1034 3.559 -4.136 -5.974 934 1HD2 ASN1034 2HD2 ASN1034 5.469 -5.091 -6.485 935 2HD2 ASN1034 1HD2 ASN1034 5.634 -6.434 -7.545 936 H LEU1035 H LEU1035 1.635 -4.332 -4.133 937 HA LEU1035 HA LEU1035 2.402 -6.975 -3.170 938 1HB LEU1035 HB1 LEU1035 3.171 -4.780 -2.179 939 2HB LEU1035 HB2 LEU1035 1.529 -4.485 -1.642 940 HG LEU1035 HG LEU1035 3.112 -5.234 0.125 941 1HD1 LEU1035 1HD1 LEU1035 0.741 -5.498 0.460 942 2HD1 LEU1035 2HD1 LEU1035 0.779 -7.057 -0.362 943 3HD1 LEU1035 3HD1 LEU1035 1.626 -6.852 1.170 944 1HD2 LEU1035 1HD2 LEU1035 4.430 -6.787 -1.189 945 2HD2 LEU1035 2HD2 LEU1035 3.758 -7.575 0.239 946 3HD2 LEU1035 3HD2 LEU1035 3.036 -7.854 -1.348 947 H LEU1036 H LEU1036 -0.460 -5.050 -3.585 948 HA LEU1036 HA LEU1036 -2.447 -6.483 -2.326 949 1HB LEU1036 HB1 LEU1036 -2.731 -4.352 -3.596 950 2HB LEU1036 HB2 LEU1036 -2.492 -5.230 -5.089 951 HG LEU1036 HG LEU1036 -4.875 -4.576 -4.405 952 1HD1 LEU1036 1HD1 LEU1036 -4.235 -7.414 -5.189 953 2HD1 LEU1036 2HD1 LEU1036 -5.795 -6.619 -5.391 954 3HD1 LEU1036 3HD1 LEU1036 -4.388 -6.036 -6.280 955 1HD2 LEU1036 1HD2 LEU1036 -4.464 -6.989 -2.665 956 2HD2 LEU1036 2HD2 LEU1036 -4.761 -5.339 -2.115 957 3HD2 LEU1036 3HD2 LEU1036 -6.013 -6.215 -3.000 958 H ASP1037 H ASP1037 -1.039 -6.904 -5.484 959 HA ASP1037 HA ASP1037 -2.509 -9.284 -6.114 960 1HB ASP1037 HB1 ASP1037 -1.598 -7.647 -7.819 961 2HB ASP1037 HB2 ASP1037 0.007 -8.277 -7.460 962 H VAL1038 H VAL1038 0.663 -8.448 -4.957 963 HA VAL1038 HA VAL1038 1.963 -10.856 -4.806 964 HB VAL1038 HB VAL1038 1.961 -8.491 -2.949 965 1HG1 VAL1038 1HG1 VAL1038 2.462 -10.434 -1.565 966 2HG1 VAL1038 2HG1 VAL1038 3.702 -10.942 -2.713 967 3HG1 VAL1038 3HG1 VAL1038 3.903 -9.444 -1.804 968 1HG2 VAL1038 1HG2 VAL1038 4.200 -8.154 -3.874 969 2HG2 VAL1038 2HG2 VAL1038 4.011 -9.602 -4.862 970 3HG2 VAL1038 3HG2 VAL1038 2.978 -8.202 -5.144 971 H ILE1039 H ILE1039 -0.075 -9.496 -2.180 972 HA ILE1039 HA ILE1039 0.178 -12.049 -0.846 973 HB ILE1039 HB ILE1039 -0.818 -11.005 1.115 974 1HG1 ILE1039 1HG1 ILE1039 -0.845 -8.486 -0.556 975 2HG1 ILE1039 2HG1 ILE1039 -2.263 -9.354 0.034 976 1HG2 ILE1039 1HG2 ILE1039 1.054 -9.505 1.604 977 2HG2 ILE1039 2HG2 ILE1039 1.583 -10.980 0.795 978 3HG2 ILE1039 3HG2 ILE1039 1.466 -9.470 -0.109 979 1HD1 ILE1039 1HD1 ILE1039 -1.804 -7.420 1.410 980 2HD1 ILE1039 2HD1 ILE1039 -1.568 -8.903 2.334 981 3HD1 ILE1039 3HD1 ILE1039 -0.173 -8.009 1.729 982 H ASP1040 H ASP1040 -2.389 -10.168 -2.425 983 HA ASP1040 HA ASP1040 -4.492 -11.915 -1.895 984 1HB ASP1040 HB1 ASP1040 -4.971 -10.110 -3.388 985 2HB ASP1040 HB2 ASP1040 -3.690 -10.594 -4.497 986 H GLN1041 H GLN1041 -1.835 -12.216 -4.197 987 HA GLN1041 HA GLN1041 -2.502 -14.923 -4.826 988 1HB GLN1041 HB1 GLN1041 -0.169 -13.193 -5.536 989 2HB GLN1041 HB2 GLN1041 -0.122 -14.930 -5.822 990 1HG GLN1041 HG1 GLN1041 -2.346 -14.596 -7.046 991 2HG GLN1041 HG2 GLN1041 -1.942 -12.881 -7.030 992 1HE2 GLN1041 2HE2 GLN1041 -0.263 -12.129 -8.299 993 2HE2 GLN1041 1HE2 GLN1041 0.452 -13.096 -9.549 994 H ALA1042 H ALA1042 -0.520 -13.395 -2.359 995 HA ALA1042 HA ALA1042 0.977 -15.509 -1.483 996 1HB ALA1042 HB1 ALA1042 -0.633 -13.677 0.278 997 2HB ALA1042 HB2 ALA1042 0.756 -14.643 0.776 998 3HB ALA1042 HB3 ALA1042 0.965 -13.328 -0.380 999 H ARG1043 H ARG1043 -2.359 -14.823 -0.440 1000 HA ARG1043 HA ARG1043 -2.903 -17.227 0.817 1001 1HB ARG1043 HB1 ARG1043 -4.466 -15.072 -0.324 1002 2HB ARG1043 HB2 ARG1043 -5.276 -16.619 -0.524 1003 1HG ARG1043 HG1 ARG1043 -5.915 -15.424 1.542 1004 2HG ARG1043 HG2 ARG1043 -5.230 -17.018 1.839 1005 1HD ARG1043 HD1 ARG1043 -3.139 -16.070 2.511 1006 2HD ARG1043 HD2 ARG1043 -3.649 -14.458 2.006 1007 HE ARG1043 HE ARG1043 -5.483 -14.911 3.819 1008 1HH1 ARG1043 2HH1 ARG1043 -2.078 -15.723 4.025 1009 2HH1 ARG1043 1HH1 ARG1043 -2.035 -15.604 5.755 1010 1HH2 ARG1043 2HH2 ARG1043 -5.414 -14.721 6.066 1011 2HH2 ARG1043 1HH2 ARG1043 -3.918 -15.040 6.918 1012 H LEU1044 H LEU1044 -2.927 -16.529 -2.647 1013 HA LEU1044 HA LEU1044 -3.743 -19.164 -3.421 1014 1HB LEU1044 HB1 LEU1044 -3.955 -17.142 -4.803 1015 2HB LEU1044 HB2 LEU1044 -2.223 -17.108 -5.021 1016 HG LEU1044 HG LEU1044 -3.630 -18.006 -6.940 1017 1HD1 LEU1044 1HD1 LEU1044 -2.050 -19.798 -7.487 1018 2HD1 LEU1044 2HD1 LEU1044 -1.237 -18.358 -6.875 1019 3HD1 LEU1044 3HD1 LEU1044 -1.449 -19.763 -5.829 1020 1HD2 LEU1044 1HD2 LEU1044 -4.322 -20.345 -6.793 1021 2HD2 LEU1044 2HD2 LEU1044 -3.870 -20.368 -5.088 1022 3HD2 LEU1044 3HD2 LEU1044 -5.187 -19.330 -5.638 1023 H LYS1045 H LYS1045 -0.610 -17.635 -2.849 1024 HA LYS1045 HA LYS1045 1.109 -19.611 -3.797 1025 1HB LYS1045 HB1 LYS1045 1.456 -18.059 -1.216 1026 2HB LYS1045 HB2 LYS1045 2.724 -18.843 -2.131 1027 1HG LYS1045 HG1 LYS1045 1.118 -16.480 -3.050 1028 2HG LYS1045 HG2 LYS1045 2.744 -16.426 -2.370 1029 1HD LYS1045 HD1 LYS1045 3.537 -17.821 -4.258 1030 2HD LYS1045 HD2 LYS1045 1.913 -17.765 -4.950 1031 1HE LYS1045 HE1 LYS1045 2.066 -15.316 -5.067 1032 2HE LYS1045 HE2 LYS1045 3.696 -15.391 -4.405 1033 1HZ LYS1045 HZ1 LYS1045 3.845 -15.161 -6.756 1034 2HZ LYS1045 HZ2 LYS1045 4.317 -16.747 -6.370 1035 3HZ LYS1045 HZ3 LYS1045 2.775 -16.457 -7.018 1036 H MET1046 H MET1046 -1.008 -19.468 -1.098 1037 HA MET1046 HA MET1046 0.176 -21.634 0.369 1038 1HB MET1046 HB1 MET1046 -1.242 -19.924 1.451 1039 2HB MET1046 HB2 MET1046 -2.619 -20.504 0.523 1040 1HG MET1046 HG1 MET1046 -2.417 -22.690 1.613 1041 2HG MET1046 HG2 MET1046 -1.055 -22.076 2.552 1042 1HE MET1046 HE1 MET1046 -2.775 -19.345 4.774 1043 2HE MET1046 HE2 MET1046 -1.279 -20.219 4.449 1044 3HE MET1046 HE3 MET1046 -1.948 -19.132 3.232 1045 H ILE1047 H ILE1047 -2.644 -21.278 -1.754 1046 HA ILE1047 HA ILE1047 -3.319 -24.021 -1.856 1047 HB ILE1047 HB ILE1047 -3.750 -21.952 -4.018 1048 1HG1 ILE1047 1HG1 ILE1047 -4.643 -21.105 -1.933 1049 2HG1 ILE1047 2HG1 ILE1047 -5.979 -21.625 -2.955 1050 1HG2 ILE1047 1HG2 ILE1047 -5.639 -23.345 -4.683 1051 2HG2 ILE1047 2HG2 ILE1047 -4.128 -24.252 -4.754 1052 3HG2 ILE1047 3HG2 ILE1047 -5.242 -24.502 -3.411 1053 1HD1 ILE1047 1HD1 ILE1047 -4.816 -23.156 -0.641 1054 2HD1 ILE1047 2HD1 ILE1047 -6.344 -22.274 -0.653 1055 3HD1 ILE1047 3HD1 ILE1047 -6.141 -23.700 -1.670 1056 H SER1048 H SER1048 -1.271 -21.965 -3.865 1057 HA SER1048 HA SER1048 -0.400 -23.723 -5.805 1058 1HB SER1048 HB1 SER1048 0.165 -21.280 -5.622 1059 2HB SER1048 HB2 SER1048 1.337 -21.685 -4.365 1060 HG SER1048 HG SER1048 1.585 -21.810 -7.058 1061 H GLN1049 H GLN1049 0.794 -23.370 -2.493 1062 HA GLN1049 HA GLN1049 2.863 -25.343 -2.849 1063 1HB GLN1049 HB1 GLN1049 2.982 -23.322 -1.325 1064 2HB GLN1049 HB2 GLN1049 1.845 -24.137 -0.269 1065 1HG GLN1049 HG1 GLN1049 4.423 -25.443 -1.033 1066 2HG GLN1049 HG2 GLN1049 4.363 -24.239 0.250 1067 1HE2 GLN1049 2HE2 GLN1049 5.045 -27.043 0.404 1068 2HE2 GLN1049 1HE2 GLN1049 3.929 -27.763 1.518 1069 H SER1050 H SER1050 -0.420 -25.245 -1.682 1070 HA SER1050 HA SER1050 -0.282 -27.749 -0.300 1071 1HB SER1050 HB1 SER1050 -2.709 -26.182 -1.196 1072 2HB SER1050 HB2 SER1050 -2.704 -27.517 -0.044 1073 HG SER1050 HG SER1050 -1.591 -24.929 0.232 1074 H ARG1051 H ARG1051 -2.305 -26.839 -3.114 1075 HA ARG1051 HA ARG1051 -1.733 -29.417 -4.345 1076 1HB ARG1051 HB1 ARG1051 -4.560 -28.549 -3.690 1077 2HB ARG1051 HB2 ARG1051 -4.110 -29.984 -4.600 1078 1HG ARG1051 HG1 ARG1051 -2.987 -30.876 -2.609 1079 2HG ARG1051 HG2 ARG1051 -3.493 -29.450 -1.702 1080 1HD ARG1051 HD1 ARG1051 -5.273 -31.531 -2.957 1081 2HD ARG1051 HD2 ARG1051 -4.995 -31.275 -1.237 1082 HE ARG1051 HE ARG1051 -6.606 -29.601 -3.024 1083 1HH1 ARG1051 2HH1 ARG1051 -5.305 -30.127 0.191 1084 2HH1 ARG1051 1HH1 ARG1051 -6.541 -29.187 0.977 1085 1HH2 ARG1051 2HH2 ARG1051 -8.209 -28.378 -2.009 1086 2HH2 ARG1051 1HH2 ARG1051 -8.225 -28.218 -0.273 1087 HA PRO1052 HA PRO1052 -2.020 -26.225 -7.585 1088 1HB PRO1052 HB1 PRO1052 -0.301 -27.448 -9.280 1089 2HB PRO1052 HB2 PRO1052 0.246 -26.451 -7.926 1090 1HG PRO1052 HG1 PRO1052 0.051 -29.432 -8.127 1091 2HG PRO1052 HG2 PRO1052 1.343 -28.439 -7.428 1092 1HD PRO1052 HD1 PRO1052 -0.560 -29.669 -5.922 1093 2HD PRO1052 HD2 PRO1052 0.216 -28.146 -5.445 1094 H HIS1053 H HIS1053 -4.243 -27.134 -7.707 1095 HA HIS1053 HA HIS1053 -4.651 -28.372 -10.279 1096 1HB HIS1053 HB1 HIS1053 -4.404 -30.336 -8.788 1097 2HB HIS1053 HB2 HIS1053 -5.699 -29.715 -7.769 1098 HD1 HIS1053 HD1 HIS1053 -5.070 -31.289 -11.122 1099 HD2 HIS1053 HD2 HIS1053 -8.275 -30.184 -8.708 1100 HE1 HIS1053 HE1 HIS1053 -7.107 -32.322 -12.180 1101 HE2 HIS1053 HE2 HIS1053 -9.051 -31.501 -10.796
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