REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1oe2_1_A DATA FIRST_RESID 2 DATA SEQUENCE DADKLPHTKV TLVAPPQVHP HEQATKSGPK VVEFTMTIEE KKMVIDDKGT DATA SEQUENCE TLQAMTFNGS MPGPTLVVHE GDYVQLTLVN PATNAMPHNV EFHGATGALG DATA SEQUENCE GAKLTNVNPG EQATLRFKAD RSGTFVYHCA PEGMVPWHVV SGMSGTLMVL DATA SEQUENCE PRDGLKDPQG KPLHYDRAYT IGEFDLYIPK GPDGKYKDYA TLAESYGDTV DATA SEQUENCE QVMRTLTPSH IVFNGKVGAL TGANALTAKV GETVLLIHSQ ANRDTRPHLI DATA SEQUENCE GGHGDWVWET GKFANPPQRD LETWFIRGGS AGAALYTFKQ PGVYAYLNHN DATA SEQUENCE LIEAFELGAA GHIKVEGKWN DDLMKQIKAP APIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 4.608 4.640 -0.053 0.000 0.175 2 D C 0.000 176.204 176.300 -0.161 0.000 2.045 2 D CA 0.000 53.963 54.000 -0.062 0.000 0.868 2 D CB 0.000 40.774 40.800 -0.044 0.000 0.688 3 A N 5.610 128.210 122.820 -0.366 0.000 2.019 3 A HA -0.224 3.742 4.320 -0.590 0.000 0.219 3 A C 1.789 179.201 177.584 -0.286 0.000 1.164 3 A CA 2.478 54.151 52.037 -0.607 0.000 0.644 3 A CB -0.091 18.125 19.000 -1.307 0.000 0.805 3 A HN 0.707 8.636 8.150 -0.368 0.000 0.449 4 D N -1.732 118.564 120.400 -0.173 0.000 2.263 4 D HA -0.132 4.485 4.640 -0.039 0.000 0.208 4 D C 1.538 177.815 176.300 -0.038 0.000 0.971 4 D CA 2.308 56.265 54.000 -0.072 0.000 0.867 4 D CB -0.113 40.651 40.800 -0.060 0.000 0.929 4 D HN -0.267 8.237 8.370 -0.181 -0.243 0.492 5 K N -3.380 116.987 120.400 -0.054 0.000 2.358 5 K HA 0.051 4.355 4.320 -0.026 0.000 0.200 5 K C -0.445 176.146 176.600 -0.014 0.000 1.030 5 K CA -0.151 56.117 56.287 -0.031 0.000 1.097 5 K CB 0.914 33.394 32.500 -0.033 0.000 0.862 5 K HN -0.444 7.598 8.250 -0.082 0.158 0.534 6 L N 0.727 121.940 121.223 -0.017 0.000 2.399 6 L HA 0.210 4.548 4.340 -0.004 0.000 0.265 6 L C -1.875 175.045 176.870 0.083 0.000 1.089 6 L CA -2.459 52.379 54.840 -0.003 0.000 0.802 6 L CB -0.328 41.692 42.059 -0.066 0.000 1.180 6 L HN -0.882 7.156 8.230 -0.042 0.167 0.454 7 P HA 0.058 4.540 4.420 0.104 0.000 0.268 7 P C -1.745 175.622 177.300 0.113 0.000 1.205 7 P CA -0.381 62.772 63.100 0.087 0.000 0.771 7 P CB 0.502 32.217 31.700 0.026 0.000 0.858 8 H N 1.795 120.825 119.070 -0.067 0.000 2.458 8 H HA 0.898 5.626 4.556 -0.084 -0.222 0.330 8 H C 0.227 175.504 175.328 -0.085 0.000 1.111 8 H CA -1.300 54.700 56.048 -0.080 0.000 1.245 8 H CB 3.076 32.788 29.762 -0.083 0.000 1.456 8 H HN 0.122 8.553 8.280 0.252 0.000 0.488 9 T N 0.651 115.184 114.554 -0.034 0.000 2.893 9 T HA 0.316 4.639 4.350 -0.045 0.000 0.291 9 T C -1.613 172.994 174.700 -0.155 0.000 1.028 9 T CA -1.550 60.504 62.100 -0.077 0.000 0.995 9 T CB 1.600 70.417 68.868 -0.085 0.000 1.051 9 T HN 0.523 8.705 8.240 -0.098 0.000 0.470 10 K N 2.839 123.147 120.400 -0.153 0.000 2.182 10 K HA 0.490 4.799 4.320 -0.290 -0.163 0.262 10 K C 0.071 176.510 176.600 -0.268 0.000 0.957 10 K CA -1.327 54.828 56.287 -0.220 0.000 0.842 10 K CB 1.434 33.856 32.500 -0.130 0.000 1.099 10 K HN 0.035 8.218 8.250 -0.111 0.000 0.438 11 V N 5.037 124.695 119.914 -0.428 0.000 2.513 11 V HA 0.317 4.266 4.120 -0.286 0.000 0.299 11 V C -0.644 175.312 176.094 -0.231 0.000 1.035 11 V CA -1.432 60.627 62.300 -0.402 0.000 0.889 11 V CB 2.609 34.015 31.823 -0.694 0.000 0.988 11 V HN 0.304 8.163 8.190 -0.552 0.000 0.440 12 T N 7.408 121.881 114.554 -0.135 0.000 2.729 12 T HA 0.085 4.424 4.350 -0.019 0.000 0.296 12 T C -1.051 173.650 174.700 0.003 0.000 0.928 12 T CA 0.111 62.189 62.100 -0.037 0.000 1.045 12 T CB 0.247 69.112 68.868 -0.005 0.000 0.902 12 T HN 0.178 8.339 8.240 -0.132 0.000 0.500 13 L N 6.849 128.114 121.223 0.070 0.000 2.464 13 L HA 0.008 4.455 4.340 0.177 0.000 0.264 13 L C -0.840 176.117 176.870 0.146 0.000 1.199 13 L CA -0.077 54.849 54.840 0.145 0.000 0.818 13 L CB 0.475 42.630 42.059 0.160 0.000 1.102 13 L HN 0.395 8.669 8.230 0.075 0.000 0.473 14 V N -0.754 119.272 119.914 0.186 0.000 3.001 14 V HA 0.304 4.497 4.120 0.121 0.000 0.314 14 V C -1.532 174.641 176.094 0.132 0.000 1.099 14 V CA -2.790 59.598 62.300 0.147 0.000 0.989 14 V CB 3.432 35.348 31.823 0.155 0.000 1.040 14 V HN 0.061 8.392 8.190 0.236 0.000 0.434 15 A N 1.481 124.365 122.820 0.106 0.000 2.425 15 A HA 0.249 4.625 4.320 0.094 0.000 0.249 15 A C -1.864 175.778 177.584 0.097 0.000 1.084 15 A CA -1.593 50.499 52.037 0.092 0.000 0.781 15 A CB -0.911 18.132 19.000 0.071 0.000 1.019 15 A HN 0.220 8.429 8.150 0.098 0.000 0.490 16 P HA 0.055 4.734 4.420 0.098 -0.200 0.267 16 P C -1.207 176.141 177.300 0.080 0.000 1.201 16 P CA -1.126 62.025 63.100 0.086 0.000 0.775 16 P CB -0.099 31.643 31.700 0.069 0.000 0.854 17 P HA 0.104 4.729 4.420 0.090 -0.151 0.255 17 P C -0.770 176.669 177.300 0.232 0.000 1.248 17 P CA 0.228 63.402 63.100 0.123 0.000 0.807 17 P CB 1.120 32.853 31.700 0.054 0.000 1.150 18 Q N -0.722 119.196 119.800 0.197 0.000 2.471 18 Q HA 0.086 4.540 4.340 0.191 0.000 0.223 18 Q C -0.267 175.805 176.000 0.119 0.000 1.045 18 Q CA 0.142 56.047 55.803 0.170 0.000 0.956 18 Q CB 1.271 30.094 28.738 0.141 0.000 1.249 18 Q HN -0.676 7.624 8.270 0.163 0.067 0.549 19 V N -0.939 119.028 119.914 0.087 0.000 2.656 19 V HA 0.161 4.324 4.120 0.072 0.000 0.307 19 V C -0.933 175.227 176.094 0.109 0.000 1.051 19 V CA -1.474 60.864 62.300 0.064 0.000 0.893 19 V CB 2.706 34.534 31.823 0.007 0.000 0.999 19 V HN 0.322 8.555 8.190 0.072 0.000 0.426 20 H N 5.609 124.782 119.070 0.172 0.000 2.929 20 H HA 0.105 4.748 4.556 0.145 0.000 0.358 20 H C -1.509 173.979 175.328 0.266 0.000 1.111 20 H CA -1.595 54.563 56.048 0.184 0.000 1.409 20 H CB -0.805 29.064 29.762 0.179 0.000 1.373 20 H HN 0.526 8.895 8.280 0.148 0.000 0.610 21 P HA -0.065 4.396 4.420 0.069 0.000 0.266 21 P C -1.817 175.677 177.300 0.323 0.000 1.195 21 P CA 0.943 64.160 63.100 0.194 0.000 0.768 21 P CB 0.228 32.007 31.700 0.132 0.000 0.838 22 H N -0.286 118.844 119.070 0.100 0.000 3.014 22 H HA 0.180 4.844 4.556 0.179 0.000 0.337 22 H C -1.956 173.425 175.328 0.089 0.000 1.320 22 H CA -1.829 54.296 56.048 0.127 0.000 1.128 22 H CB 1.284 31.093 29.762 0.078 0.000 1.862 22 H HN -0.415 7.714 8.280 -0.252 0.000 0.536 23 E N 0.660 120.984 120.200 0.206 0.000 2.319 23 E HA 0.144 4.493 4.350 -0.002 0.000 0.268 23 E C -0.767 176.001 176.600 0.280 0.000 1.050 23 E CA -0.746 55.730 56.400 0.126 0.000 0.878 23 E CB 1.138 30.889 29.700 0.084 0.000 1.066 23 E HN 0.246 8.793 8.360 0.312 0.000 0.406 24 Q N 1.922 121.777 119.800 0.093 0.000 1.786 24 Q HA -0.132 4.317 4.340 0.182 0.000 0.353 24 Q C 0.036 176.145 176.000 0.181 0.000 0.943 24 Q CA 1.063 56.923 55.803 0.095 0.000 0.879 24 Q CB 0.633 29.260 28.738 -0.186 0.000 1.049 24 Q HN 0.213 8.479 8.270 -0.006 0.000 0.435 25 A N -1.512 121.344 122.820 0.060 0.000 2.498 25 A HA -0.067 4.498 4.320 0.036 -0.223 0.239 25 A C -0.554 177.008 177.584 -0.038 0.000 1.068 25 A CA 0.602 52.652 52.037 0.022 0.000 0.766 25 A CB 0.433 19.432 19.000 -0.002 0.000 1.003 25 A HN -0.082 8.091 8.150 0.039 0.000 0.497 26 T N 1.937 116.421 114.554 -0.115 0.000 2.900 26 T HA 0.177 4.456 4.350 -0.119 0.000 0.303 26 T C 0.673 175.299 174.700 -0.124 0.000 1.142 26 T CA -1.204 60.794 62.100 -0.170 0.000 1.007 26 T CB 2.133 70.777 68.868 -0.374 0.000 1.156 26 T HN 0.006 8.185 8.240 -0.102 0.000 0.490 27 K N 4.688 125.031 120.400 -0.095 0.000 2.393 27 K HA 0.191 4.474 4.320 -0.062 0.000 0.193 27 K C 0.729 177.286 176.600 -0.071 0.000 1.026 27 K CA -0.245 56.000 56.287 -0.069 0.000 1.064 27 K CB -0.336 32.134 32.500 -0.051 0.000 0.833 27 K HN 0.339 8.535 8.250 -0.090 0.000 0.521 28 S N 1.431 117.073 115.700 -0.096 0.000 2.568 28 S HA 0.024 4.460 4.470 -0.058 0.000 0.282 28 S C 0.571 175.132 174.600 -0.066 0.000 1.338 28 S CA 0.642 58.795 58.200 -0.079 0.000 1.045 28 S CB 0.923 64.065 63.200 -0.096 0.000 0.873 28 S HN -0.410 7.772 8.310 -0.121 0.055 0.516 29 G N 2.008 110.785 108.800 -0.038 0.000 2.557 29 G HA2 0.190 4.143 3.960 -0.012 0.000 0.292 29 G HA3 0.190 4.137 3.960 -0.021 0.000 0.292 29 G C -1.981 172.913 174.900 -0.010 0.000 1.237 29 G CA -2.037 43.051 45.100 -0.020 0.000 0.978 29 G HN 0.081 8.351 8.290 -0.034 0.000 0.498 30 P HA -0.013 4.618 4.420 0.038 -0.189 0.266 30 P C -1.441 175.881 177.300 0.036 0.000 1.195 30 P CA -0.244 62.881 63.100 0.041 0.000 0.768 30 P CB 0.732 32.480 31.700 0.080 0.000 0.838 31 K N -0.885 119.536 120.400 0.035 0.000 2.482 31 K HA 0.350 4.752 4.320 -0.028 -0.099 0.257 31 K C -1.203 175.370 176.600 -0.045 0.000 0.969 31 K CA -1.880 54.397 56.287 -0.017 0.000 0.842 31 K CB 4.603 37.081 32.500 -0.036 0.000 1.359 31 K HN -0.071 8.467 8.250 0.048 -0.259 0.441 32 V N 2.910 122.693 119.914 -0.219 0.000 2.368 32 V HA 0.116 4.274 4.120 -0.192 -0.153 0.266 32 V C -1.109 174.783 176.094 -0.337 0.000 1.045 32 V CA -0.436 61.639 62.300 -0.373 0.000 0.899 32 V CB -0.679 30.593 31.823 -0.918 0.000 1.006 32 V HN 0.273 8.310 8.190 -0.256 0.000 0.470 33 V N 9.050 128.824 119.914 -0.232 0.000 2.364 33 V HA 0.334 4.440 4.120 -0.305 -0.169 0.272 33 V C -0.777 175.086 176.094 -0.386 0.000 1.036 33 V CA -1.792 60.328 62.300 -0.301 0.000 0.880 33 V CB -0.336 31.351 31.823 -0.227 0.000 0.991 33 V HN 0.803 8.887 8.190 -0.178 0.000 0.460 34 E N 7.793 127.735 120.200 -0.430 0.000 2.197 34 E HA 0.646 5.112 4.350 -0.169 -0.217 0.281 34 E C -0.861 175.451 176.600 -0.480 0.000 0.995 34 E CA -1.166 55.055 56.400 -0.298 0.000 0.808 34 E CB 1.871 31.489 29.700 -0.136 0.000 1.093 34 E HN 0.523 8.641 8.360 -0.403 0.000 0.394 35 F N 3.136 123.039 119.950 -0.080 0.000 2.603 35 F HA 0.439 4.923 4.527 -0.072 0.000 0.317 35 F C -0.713 175.066 175.800 -0.036 0.000 1.066 35 F CA -1.102 56.857 58.000 -0.068 0.000 0.941 35 F CB 4.286 43.239 39.000 -0.078 0.000 1.291 35 F HN 0.389 8.757 8.300 0.112 0.000 0.472 36 T N 2.437 117.096 114.554 0.175 0.000 2.861 36 T HA 0.808 5.427 4.350 0.109 -0.203 0.287 36 T C -1.052 173.711 174.700 0.104 0.000 1.003 36 T CA -0.428 61.739 62.100 0.112 0.000 0.977 36 T CB 2.361 71.272 68.868 0.072 0.000 0.996 36 T HN 0.426 8.775 8.240 0.182 0.000 0.448 37 M N 4.980 124.636 119.600 0.093 0.000 2.457 37 M HA 0.387 5.086 4.480 0.100 -0.159 0.300 37 M C -1.923 174.448 176.300 0.118 0.000 1.141 37 M CA -0.675 54.689 55.300 0.105 0.000 0.901 37 M CB 5.104 37.766 32.600 0.103 0.000 1.687 37 M HN 0.501 8.848 8.290 0.094 0.000 0.449 38 T N 4.642 119.258 114.554 0.103 0.000 2.786 38 T HA 0.540 5.098 4.350 0.065 -0.169 0.283 38 T C -0.207 174.512 174.700 0.031 0.000 0.992 38 T CA -0.395 61.743 62.100 0.064 0.000 0.954 38 T CB 1.061 69.954 68.868 0.042 0.000 0.934 38 T HN 0.585 9.228 8.240 0.105 -0.341 0.440 39 I N 7.492 128.043 120.570 -0.031 0.000 2.588 39 I HA 0.026 4.238 4.170 -0.217 -0.172 0.283 39 I C -0.341 175.679 176.117 -0.163 0.000 1.119 39 I CA 0.821 62.005 61.300 -0.193 0.000 1.419 39 I CB 0.770 38.539 38.000 -0.385 0.000 1.394 39 I HN 0.440 8.643 8.210 -0.012 0.000 0.562 40 E N 8.075 128.162 120.200 -0.189 0.000 2.255 40 E HA 0.298 4.584 4.350 -0.108 0.000 0.256 40 E C -1.302 175.194 176.600 -0.174 0.000 0.887 40 E CA -1.834 54.485 56.400 -0.135 0.000 0.782 40 E CB 3.183 32.834 29.700 -0.081 0.000 1.214 40 E HN 0.294 8.517 8.360 -0.227 0.000 0.417 41 E N 8.571 128.685 120.200 -0.142 0.000 2.289 41 E HA 0.108 4.491 4.350 -0.175 -0.138 0.278 41 E C -0.607 175.940 176.600 -0.088 0.000 1.032 41 E CA 0.216 56.539 56.400 -0.129 0.000 0.854 41 E CB 0.929 30.583 29.700 -0.077 0.000 1.046 41 E HN -0.157 8.420 8.360 -0.114 -0.286 0.409 42 K N 1.109 121.454 120.400 -0.092 0.000 2.587 42 K HA 0.273 4.567 4.320 -0.043 0.000 0.276 42 K C -2.401 174.165 176.600 -0.057 0.000 0.956 42 K CA -1.322 54.928 56.287 -0.061 0.000 0.857 42 K CB 2.591 35.054 32.500 -0.061 0.000 1.431 42 K HN 0.299 8.480 8.250 -0.115 0.000 0.420 43 K N 4.042 124.423 120.400 -0.031 0.000 2.322 43 K HA 0.242 4.744 4.320 -0.021 -0.194 0.283 43 K C -0.249 176.326 176.600 -0.042 0.000 1.042 43 K CA 0.278 56.552 56.287 -0.022 0.000 0.958 43 K CB 0.790 33.293 32.500 0.006 0.000 0.984 43 K HN 0.241 8.478 8.250 -0.022 0.000 0.473 44 M N 7.153 126.717 119.600 -0.060 0.000 2.464 44 M HA 0.198 4.638 4.480 -0.066 0.000 0.308 44 M C -1.473 174.777 176.300 -0.083 0.000 1.127 44 M CA -0.728 54.525 55.300 -0.077 0.000 0.913 44 M CB 4.167 36.703 32.600 -0.107 0.000 1.689 44 M HN 0.422 8.677 8.290 -0.058 0.000 0.445 45 V N 3.452 123.320 119.914 -0.077 0.000 2.432 45 V HA 0.104 4.336 4.120 -0.091 -0.167 0.271 45 V C 0.122 176.148 176.094 -0.114 0.000 1.046 45 V CA 0.766 63.015 62.300 -0.085 0.000 0.945 45 V CB -0.050 31.739 31.823 -0.057 0.000 0.992 45 V HN 0.496 8.646 8.190 -0.066 0.000 0.471 46 I N 0.156 120.625 120.570 -0.168 0.000 4.082 46 I HA 0.469 4.541 4.170 -0.163 0.000 0.337 46 I C -1.400 174.603 176.117 -0.190 0.000 1.352 46 I CA -1.836 59.338 61.300 -0.211 0.000 1.097 46 I CB 0.956 38.767 38.000 -0.314 0.000 1.048 46 I HN 0.541 8.641 8.210 -0.184 0.000 0.393 47 D N 0.002 120.322 120.400 -0.133 0.000 2.752 47 D HA 0.077 4.692 4.640 -0.040 0.000 0.313 47 D C -1.329 174.957 176.300 -0.022 0.000 1.225 47 D CA -0.971 52.999 54.000 -0.049 0.000 0.976 47 D CB 1.734 42.554 40.800 0.033 0.000 1.443 47 D HN -0.824 7.470 8.370 -0.127 0.000 0.515 48 D N -4.358 116.044 120.400 0.005 0.000 2.340 48 D HA -0.063 4.575 4.640 -0.003 0.000 0.220 48 D C 0.245 176.555 176.300 0.017 0.000 1.039 48 D CA 0.982 54.985 54.000 0.006 0.000 0.866 48 D CB -0.323 40.483 40.800 0.009 0.000 0.913 48 D HN 0.149 8.530 8.370 0.018 0.000 0.523 49 K N -2.479 117.939 120.400 0.030 0.000 2.478 49 K HA 0.183 4.521 4.320 0.031 0.000 0.205 49 K C 0.889 177.511 176.600 0.036 0.000 1.033 49 K CA -0.781 55.530 56.287 0.041 0.000 1.091 49 K CB 0.315 32.855 32.500 0.068 0.000 0.844 49 K HN -0.426 8.042 8.250 0.034 -0.198 0.507 50 G N 0.055 108.862 108.800 0.013 0.000 2.141 50 G HA2 -0.367 3.598 3.960 0.009 0.000 0.242 50 G HA3 -0.367 3.586 3.960 -0.012 0.000 0.242 50 G C -0.343 174.552 174.900 -0.009 0.000 0.982 50 G CA 0.140 45.240 45.100 0.000 0.000 0.662 50 G HN -0.084 8.207 8.290 0.003 0.001 0.527 51 T N 2.798 117.339 114.554 -0.022 0.000 2.928 51 T HA -0.124 4.220 4.350 -0.010 0.000 0.305 51 T C -0.902 173.725 174.700 -0.122 0.000 1.035 51 T CA 2.363 64.419 62.100 -0.073 0.000 1.145 51 T CB 0.604 69.346 68.868 -0.210 0.000 0.963 51 T HN -0.539 7.923 8.240 -0.011 -0.228 0.545 52 T N 1.977 116.480 114.554 -0.085 0.000 2.918 52 T HA 0.786 5.262 4.350 -0.096 -0.184 0.286 52 T C -0.852 173.810 174.700 -0.064 0.000 1.026 52 T CA -2.109 59.948 62.100 -0.072 0.000 1.031 52 T CB 2.488 71.344 68.868 -0.020 0.000 1.046 52 T HN 0.076 8.286 8.240 -0.051 0.000 0.479 53 L N 1.459 122.643 121.223 -0.064 0.000 2.341 53 L HA 0.376 4.724 4.340 0.014 0.000 0.278 53 L C -1.249 175.625 176.870 0.007 0.000 1.005 53 L CA -1.446 53.376 54.840 -0.031 0.000 0.818 53 L CB 3.822 45.822 42.059 -0.098 0.000 1.259 53 L HN 0.665 8.848 8.230 -0.078 0.000 0.418 54 Q N 5.723 125.568 119.800 0.075 0.000 2.431 54 Q HA -0.038 4.321 4.340 0.033 0.000 0.234 54 Q C -1.174 174.805 176.000 -0.036 0.000 1.203 54 Q CA -0.075 55.759 55.803 0.052 0.000 0.902 54 Q CB -1.355 27.456 28.738 0.122 0.000 1.455 54 Q HN 0.515 8.864 8.270 0.130 0.000 0.515 55 A N 3.843 126.607 122.820 -0.093 0.000 2.269 55 A HA 0.472 4.801 4.320 -0.176 -0.114 0.319 55 A C -1.565 175.885 177.584 -0.223 0.000 1.110 55 A CA -1.537 50.401 52.037 -0.166 0.000 0.847 55 A CB 3.079 21.978 19.000 -0.169 0.000 1.161 55 A HN 0.098 8.203 8.150 -0.075 0.000 0.497 56 M N -1.369 118.061 119.600 -0.283 0.000 2.267 56 M HA 0.306 4.601 4.480 -0.309 0.000 0.289 56 M C -1.559 174.541 176.300 -0.333 0.000 1.043 56 M CA -0.434 54.664 55.300 -0.337 0.000 0.928 56 M CB 3.885 36.223 32.600 -0.437 0.000 1.613 56 M HN 0.201 8.326 8.290 -0.276 0.000 0.450 57 T N -2.399 111.947 114.554 -0.347 0.000 2.903 57 T HA 0.476 4.679 4.350 -0.245 0.000 0.299 57 T C -1.233 173.266 174.700 -0.335 0.000 1.093 57 T CA -1.951 59.986 62.100 -0.272 0.000 1.002 57 T CB 2.801 71.576 68.868 -0.156 0.000 1.127 57 T HN 0.127 8.151 8.240 -0.359 0.000 0.488 58 F N 1.663 121.581 119.950 -0.053 0.000 2.424 58 F HA -0.010 4.492 4.527 -0.042 0.000 0.356 58 F C 0.039 175.840 175.800 0.000 0.000 1.110 58 F CA 0.852 58.848 58.000 -0.008 0.000 1.161 58 F CB 0.139 39.198 39.000 0.099 0.000 1.115 58 F HN 0.423 8.775 8.300 0.087 0.000 0.507 59 N N 2.571 121.359 118.700 0.147 0.000 2.800 59 N HA -0.387 4.487 4.740 0.076 -0.088 0.250 59 N C 0.041 175.581 175.510 0.050 0.000 1.078 59 N CA 1.213 54.322 53.050 0.097 0.000 0.804 59 N CB -0.778 37.783 38.487 0.123 0.000 1.135 59 N HN 0.664 9.113 8.380 0.116 0.000 0.565 60 G N -6.505 102.301 108.800 0.009 0.000 2.176 60 G HA2 -0.497 3.457 3.960 -0.010 0.000 0.253 60 G HA3 -0.497 3.539 3.960 -0.046 -0.103 0.253 60 G C -1.342 173.540 174.900 -0.030 0.000 0.979 60 G CA 0.461 45.548 45.100 -0.021 0.000 0.641 60 G HN -0.125 8.104 8.290 -0.002 0.059 0.530 61 S N -0.933 114.760 115.700 -0.011 0.000 2.599 61 S HA 0.329 4.766 4.470 -0.055 0.000 0.294 61 S C -0.972 173.584 174.600 -0.074 0.000 1.094 61 S CA -1.865 56.316 58.200 -0.031 0.000 0.931 61 S CB 2.913 66.124 63.200 0.018 0.000 1.093 61 S HN -0.784 7.483 8.310 0.019 0.055 0.488 62 M N 0.509 120.013 119.600 -0.160 0.000 2.167 62 M HA 0.423 4.728 4.480 -0.292 0.000 0.333 62 M C -2.004 174.245 176.300 -0.085 0.000 1.030 62 M CA -2.746 52.357 55.300 -0.329 0.000 0.963 62 M CB 1.776 33.915 32.600 -0.768 0.000 1.589 62 M HN 0.264 8.465 8.290 -0.148 0.000 0.431 63 P HA 0.178 4.883 4.420 0.381 -0.056 0.274 63 P C 0.214 177.592 177.300 0.130 0.000 1.260 63 P CA -0.666 62.589 63.100 0.259 0.000 0.793 63 P CB 0.846 32.690 31.700 0.240 0.000 1.048 64 G N -1.791 107.117 108.800 0.179 0.000 2.732 64 G HA2 -0.082 4.086 3.960 0.348 0.000 0.244 64 G HA3 -0.082 4.172 3.960 0.235 -0.153 0.244 64 G C -1.696 173.315 174.900 0.185 0.000 1.226 64 G CA -1.419 43.825 45.100 0.241 0.000 0.860 64 G HN -0.223 8.188 8.290 0.203 0.000 0.583 65 P HA -0.079 4.423 4.420 0.136 0.000 0.269 65 P C -0.416 176.992 177.300 0.180 0.000 1.215 65 P CA -0.312 62.885 63.100 0.160 0.000 0.780 65 P CB 0.815 32.604 31.700 0.149 0.000 0.898 66 T N 2.998 117.632 114.554 0.133 0.000 2.832 66 T HA 0.421 5.077 4.350 0.142 -0.221 0.296 66 T C -0.305 174.460 174.700 0.109 0.000 0.968 66 T CA 1.594 63.757 62.100 0.104 0.000 1.107 66 T CB 0.936 69.821 68.868 0.028 0.000 0.916 66 T HN 0.347 8.659 8.240 0.121 0.000 0.517 67 L N 7.416 128.657 121.223 0.030 0.000 2.282 67 L HA 0.221 4.600 4.340 0.064 0.000 0.288 67 L C -1.483 175.410 176.870 0.039 0.000 1.033 67 L CA -0.730 54.044 54.840 -0.110 0.000 0.807 67 L CB 0.997 42.645 42.059 -0.685 0.000 1.209 67 L HN 0.200 8.470 8.230 0.066 0.000 0.423 68 V N 4.813 124.919 119.914 0.320 0.000 2.487 68 V HA 0.920 5.223 4.120 -0.056 -0.217 0.298 68 V C -0.452 175.767 176.094 0.209 0.000 1.028 68 V CA -1.899 60.417 62.300 0.027 0.000 0.860 68 V CB 1.339 32.879 31.823 -0.472 0.000 0.991 68 V HN 0.007 8.780 8.190 0.971 0.000 0.427 69 V N 1.344 121.288 119.914 0.050 0.000 3.140 69 V HA 0.515 4.730 4.120 0.158 0.000 0.311 69 V C -2.493 173.508 176.094 -0.156 0.000 1.234 69 V CA -3.230 59.109 62.300 0.064 0.000 1.067 69 V CB 2.755 34.633 31.823 0.091 0.000 1.111 69 V HN 0.799 8.979 8.190 -0.016 0.000 0.457 70 H N -0.788 118.311 119.070 0.049 0.000 2.573 70 H HA 0.578 5.331 4.556 0.054 -0.165 0.351 70 H C -0.528 174.806 175.328 0.010 0.000 1.163 70 H CA -1.687 54.384 56.048 0.038 0.000 1.205 70 H CB 3.040 32.821 29.762 0.031 0.000 1.605 70 H HN 0.320 9.053 8.280 0.206 -0.329 0.525 71 E N 2.160 122.434 120.200 0.123 0.000 2.480 71 E HA -0.509 4.026 4.350 0.026 -0.169 0.258 71 E C 1.098 177.712 176.600 0.024 0.000 0.984 71 E CA 1.392 57.826 56.400 0.057 0.000 0.930 71 E CB 0.394 30.138 29.700 0.073 0.000 0.936 71 E HN -0.038 8.409 8.360 0.145 0.000 0.466 72 G N 8.343 117.110 108.800 -0.056 0.000 2.234 72 G HA2 -0.460 3.479 3.960 -0.034 0.000 0.235 72 G HA3 -0.460 3.416 3.960 -0.139 0.000 0.235 72 G C -0.560 174.261 174.900 -0.131 0.000 0.997 72 G CA -0.116 44.929 45.100 -0.093 0.000 0.623 72 G HN 0.813 9.051 8.290 -0.086 0.000 0.514 73 D N 0.701 121.048 120.400 -0.088 0.000 2.363 73 D HA 0.055 4.817 4.640 0.038 -0.099 0.240 73 D C -0.704 175.424 176.300 -0.288 0.000 1.236 73 D CA 1.122 55.084 54.000 -0.063 0.000 0.927 73 D CB 0.856 41.653 40.800 -0.005 0.000 1.150 73 D HN -0.440 7.824 8.370 -0.042 0.082 0.458 74 Y N -3.313 116.870 120.300 -0.195 0.000 2.377 74 Y HA 0.322 4.816 4.550 -0.337 -0.147 0.339 74 Y C -0.071 175.590 175.900 -0.398 0.000 1.011 74 Y CA -0.728 57.188 58.100 -0.306 0.000 1.093 74 Y CB 2.547 40.851 38.460 -0.260 0.000 1.201 74 Y HN 0.212 8.583 8.280 0.151 0.000 0.455 75 V N 1.939 121.499 119.914 -0.589 0.000 2.432 75 V HA 0.124 4.211 4.120 -0.261 -0.124 0.275 75 V C -1.488 174.330 176.094 -0.460 0.000 1.043 75 V CA -0.681 61.255 62.300 -0.607 0.000 0.925 75 V CB 0.435 31.534 31.823 -1.206 0.000 0.985 75 V HN 0.428 8.090 8.190 -0.881 0.000 0.466 76 Q N 8.448 128.142 119.800 -0.176 0.000 2.394 76 Q HA 0.652 5.138 4.340 -0.121 -0.218 0.261 76 Q C -2.153 173.855 176.000 0.014 0.000 1.023 76 Q CA -1.645 54.098 55.803 -0.100 0.000 0.720 76 Q CB 2.344 31.027 28.738 -0.091 0.000 1.241 76 Q HN 0.460 8.681 8.270 -0.082 0.000 0.483 77 L N 8.714 129.954 121.223 0.029 0.000 2.296 77 L HA 0.766 5.399 4.340 0.148 -0.204 0.286 77 L C -1.840 175.088 176.870 0.096 0.000 1.023 77 L CA -1.649 53.252 54.840 0.103 0.000 0.812 77 L CB 3.842 45.980 42.059 0.131 0.000 1.223 77 L HN 0.558 8.784 8.230 -0.007 0.000 0.421 78 T N 9.411 124.022 114.554 0.094 0.000 2.733 78 T HA 0.355 4.942 4.350 0.081 -0.189 0.294 78 T C -1.809 172.948 174.700 0.095 0.000 0.956 78 T CA 0.572 62.722 62.100 0.083 0.000 0.987 78 T CB 0.461 69.367 68.868 0.064 0.000 0.920 78 T HN 0.481 8.781 8.240 0.101 0.000 0.470 79 L N 10.143 131.428 121.223 0.104 0.000 2.287 79 L HA 0.597 5.171 4.340 0.128 -0.157 0.287 79 L C -2.442 174.490 176.870 0.103 0.000 1.022 79 L CA -1.444 53.470 54.840 0.123 0.000 0.814 79 L CB 2.496 44.649 42.059 0.155 0.000 1.217 79 L HN 0.625 8.916 8.230 0.101 0.000 0.420 80 V N 7.784 127.754 119.914 0.093 0.000 2.417 80 V HA 0.170 4.331 4.120 0.067 0.000 0.291 80 V C -2.230 173.900 176.094 0.060 0.000 1.024 80 V CA -0.639 61.703 62.300 0.070 0.000 0.861 80 V CB 1.964 33.821 31.823 0.056 0.000 0.985 80 V HN 0.697 8.948 8.190 0.102 0.000 0.436 81 N N 7.033 125.771 118.700 0.064 0.000 2.800 81 N HA 0.494 5.261 4.740 0.045 0.000 0.240 81 N C -2.827 172.716 175.510 0.055 0.000 1.096 81 N CA -3.362 49.730 53.050 0.069 0.000 0.877 81 N CB 1.680 40.241 38.487 0.124 0.000 1.138 81 N HN 0.367 8.786 8.380 0.065 0.000 0.509 82 P HA 0.033 4.470 4.420 0.029 0.000 0.268 82 P C 0.047 177.367 177.300 0.032 0.000 1.208 82 P CA -0.054 63.063 63.100 0.028 0.000 0.777 82 P CB 1.019 32.729 31.700 0.016 0.000 0.875 83 A N 0.055 122.890 122.820 0.026 0.000 2.178 83 A HA -0.185 4.197 4.320 0.028 -0.046 0.218 83 A C 0.554 178.151 177.584 0.022 0.000 1.157 83 A CA 2.473 54.524 52.037 0.024 0.000 0.689 83 A CB -0.300 18.711 19.000 0.020 0.000 0.787 83 A HN 0.362 8.526 8.150 0.024 0.000 0.465 84 T N -6.898 107.667 114.554 0.019 0.000 3.085 84 T HA -0.135 4.224 4.350 0.015 0.000 0.263 84 T C 0.381 175.092 174.700 0.018 0.000 1.127 84 T CA 0.728 62.837 62.100 0.015 0.000 1.103 84 T CB -0.335 68.538 68.868 0.009 0.000 0.921 84 T HN -0.447 7.752 8.240 0.018 0.052 0.510 85 N N 0.772 119.489 118.700 0.028 0.000 2.445 85 N HA -0.145 4.687 4.740 0.031 -0.072 0.264 85 N C -0.980 174.558 175.510 0.045 0.000 1.227 85 N CA -0.069 53.008 53.050 0.044 0.000 0.963 85 N CB 1.110 39.647 38.487 0.083 0.000 1.188 85 N HN -0.696 7.663 8.380 0.030 0.039 0.491 86 A N 0.998 123.845 122.820 0.045 0.000 2.014 86 A HA 0.152 4.487 4.320 0.026 0.000 0.210 86 A C -0.147 177.443 177.584 0.010 0.000 1.188 86 A CA 0.927 52.982 52.037 0.030 0.000 0.731 86 A CB 1.109 20.130 19.000 0.034 0.000 0.858 86 A HN 0.556 9.241 8.150 0.051 -0.504 0.464 87 M N -1.605 117.987 119.600 -0.013 0.000 2.598 87 M HA 0.472 4.907 4.480 -0.074 0.000 0.317 87 M C -2.376 173.758 176.300 -0.277 0.000 1.201 87 M CA -3.419 51.799 55.300 -0.137 0.000 0.971 87 M CB 0.286 32.753 32.600 -0.222 0.000 1.657 87 M HN -0.574 8.041 8.290 0.039 -0.302 0.470 88 P HA 0.081 4.573 4.420 -0.131 -0.150 0.274 88 P C -1.741 175.231 177.300 -0.547 0.000 1.237 88 P CA -0.554 62.395 63.100 -0.251 0.000 0.793 88 P CB 1.429 33.047 31.700 -0.135 0.000 0.977 89 H N -2.375 116.694 119.070 -0.001 0.000 2.966 89 H HA 0.496 5.014 4.556 -0.064 0.000 0.330 89 H C -1.129 174.201 175.328 0.005 0.000 1.292 89 H CA -0.728 55.310 56.048 -0.016 0.000 1.127 89 H CB 5.290 35.044 29.762 -0.014 0.000 1.863 89 H HN 0.032 8.315 8.280 0.005 0.000 0.543 90 N N -2.853 115.956 118.700 0.182 0.000 3.449 90 N HA 0.489 5.495 4.740 0.160 -0.170 0.312 90 N C -2.217 173.421 175.510 0.214 0.000 1.557 90 N CA -0.492 52.651 53.050 0.154 0.000 0.864 90 N CB 2.406 40.942 38.487 0.081 0.000 1.799 90 N HN -0.025 8.479 8.380 0.208 0.000 0.554 91 V N -1.809 118.191 119.914 0.143 0.000 2.808 91 V HA 0.254 4.584 4.120 0.127 -0.134 0.308 91 V C -2.290 173.776 176.094 -0.047 0.000 1.099 91 V CA -2.003 60.331 62.300 0.058 0.000 0.920 91 V CB 3.504 35.289 31.823 -0.064 0.000 1.014 91 V HN 0.022 8.284 8.190 0.120 0.000 0.425 92 E N 8.059 128.137 120.200 -0.202 0.000 2.129 92 E HA 0.267 4.686 4.350 -0.102 -0.130 0.268 92 E C -1.927 174.476 176.600 -0.328 0.000 0.900 92 E CA -2.150 54.109 56.400 -0.236 0.000 0.755 92 E CB 2.377 31.856 29.700 -0.368 0.000 1.117 92 E HN 0.371 8.587 8.360 -0.240 0.000 0.410 93 F N 6.839 126.663 119.950 -0.210 0.000 2.361 93 F HA 0.254 4.711 4.527 -0.118 0.000 0.364 93 F C 0.942 176.650 175.800 -0.153 0.000 1.120 93 F CA -0.533 57.328 58.000 -0.230 0.000 1.102 93 F CB 0.597 39.280 39.000 -0.529 0.000 1.183 93 F HN 0.655 8.890 8.300 0.060 0.102 0.476 94 H N 5.632 124.713 119.070 0.018 0.000 2.518 94 H HA -0.191 4.370 4.556 0.009 0.000 0.289 94 H C 1.517 176.782 175.328 -0.104 0.000 1.051 94 H CA 1.626 57.706 56.048 0.053 0.000 1.280 94 H CB 0.267 30.159 29.762 0.216 0.000 1.380 94 H HN 0.418 8.784 8.280 0.145 0.000 0.566 95 G N -3.016 105.631 108.800 -0.256 0.000 2.920 95 G HA2 -0.086 3.236 3.960 -1.063 0.000 0.208 95 G HA3 -0.086 2.795 3.960 -1.799 0.000 0.208 95 G C -2.048 172.464 174.900 -0.647 0.000 1.159 95 G CA -0.264 44.231 45.100 -1.008 0.000 0.784 95 G HN 0.321 8.554 8.290 -0.031 0.039 0.535 96 A N -0.555 121.879 122.820 -0.642 0.000 2.311 96 A HA 0.522 4.468 4.320 -0.624 0.000 0.334 96 A C -0.976 176.412 177.584 -0.327 0.000 1.139 96 A CA -1.110 50.480 52.037 -0.745 0.000 0.830 96 A CB 1.913 20.072 19.000 -1.402 0.000 1.234 96 A HN -0.757 6.916 8.150 -0.500 0.177 0.483 97 T N 2.594 117.028 114.554 -0.200 0.000 2.791 97 T HA 0.263 4.552 4.350 -0.102 0.000 0.288 97 T C 0.236 174.897 174.700 -0.065 0.000 0.999 97 T CA 0.230 62.269 62.100 -0.102 0.000 0.952 97 T CB 0.529 69.363 68.868 -0.056 0.000 0.938 97 T HN 0.121 8.253 8.240 -0.181 0.000 0.444 98 G N 3.208 111.975 108.800 -0.054 0.000 2.570 98 G HA2 -0.211 3.740 3.960 -0.015 0.000 0.686 98 G HA3 -0.211 3.737 3.960 -0.019 0.000 0.686 98 G C -1.404 173.481 174.900 -0.025 0.000 1.257 98 G CA -0.787 44.296 45.100 -0.027 0.000 0.846 98 G HN -0.211 8.043 8.290 -0.060 0.000 0.627 99 A N -1.081 121.734 122.820 -0.008 0.000 2.640 99 A HA -0.293 4.031 4.320 0.005 0.000 0.300 99 A C 0.077 177.659 177.584 -0.002 0.000 1.499 99 A CA 0.810 52.848 52.037 0.002 0.000 0.759 99 A CB -1.648 17.359 19.000 0.012 0.000 1.048 99 A HN 0.336 8.484 8.150 -0.004 0.000 0.450 100 L N -7.354 113.865 121.223 -0.006 0.000 3.678 100 L HA -0.552 3.785 4.340 -0.005 0.000 0.425 100 L C 0.429 177.290 176.870 -0.015 0.000 1.240 100 L CA 0.558 55.396 54.840 -0.004 0.000 0.876 100 L CB -2.755 39.310 42.059 0.010 0.000 1.766 100 L HN 0.281 8.506 8.230 -0.007 0.000 0.917 101 G N -4.232 104.545 108.800 -0.039 0.000 2.155 101 G HA2 -0.426 3.506 3.960 -0.046 0.000 0.257 101 G HA3 -0.426 3.463 3.960 -0.118 0.000 0.257 101 G C 0.013 174.880 174.900 -0.056 0.000 0.983 101 G CA 0.436 45.494 45.100 -0.070 0.000 0.676 101 G HN 0.154 8.404 8.290 -0.043 0.014 0.528 102 G N -2.880 105.910 108.800 -0.016 0.000 2.218 102 G HA2 -0.434 3.574 3.960 0.080 0.000 0.216 102 G HA3 -0.434 3.551 3.960 0.042 0.000 0.216 102 G C 0.423 175.357 174.900 0.057 0.000 0.994 102 G CA 0.211 45.337 45.100 0.042 0.000 0.637 102 G HN -0.246 7.866 8.290 -0.018 0.168 0.505 103 A N 2.157 124.994 122.820 0.029 0.000 1.933 103 A HA -0.175 4.278 4.320 0.044 -0.107 0.218 103 A C 1.786 179.391 177.584 0.035 0.000 1.175 103 A CA 2.382 54.438 52.037 0.031 0.000 0.628 103 A CB -0.219 18.789 19.000 0.013 0.000 0.814 103 A HN -0.526 7.570 8.150 0.011 0.061 0.444 104 K N -3.449 116.968 120.400 0.028 0.000 2.362 104 K HA -0.172 4.162 4.320 0.023 0.000 0.200 104 K C 1.142 177.762 176.600 0.033 0.000 1.046 104 K CA 2.328 58.631 56.287 0.026 0.000 0.952 104 K CB -0.024 32.488 32.500 0.020 0.000 0.753 104 K HN -0.606 7.639 8.250 0.024 0.018 0.466 105 L N -3.524 117.726 121.223 0.045 0.000 2.693 105 L HA 0.164 4.530 4.340 0.043 0.000 0.235 105 L C -0.106 176.803 176.870 0.064 0.000 1.127 105 L CA -0.210 54.661 54.840 0.052 0.000 0.914 105 L CB 0.974 43.068 42.059 0.058 0.000 1.193 105 L HN -0.662 7.422 8.230 0.048 0.175 0.502 106 T N -6.165 108.431 114.554 0.070 0.000 3.337 106 T HA 0.076 4.476 4.350 0.084 0.000 0.299 106 T C -0.904 173.843 174.700 0.079 0.000 0.998 106 T CA -1.633 60.519 62.100 0.086 0.000 0.948 106 T CB 1.072 70.010 68.868 0.118 0.000 1.170 106 T HN -0.757 7.457 8.240 0.063 0.063 0.508 107 N N 3.394 122.127 118.700 0.055 0.000 2.406 107 N HA 0.138 5.066 4.740 0.045 -0.161 0.265 107 N C 0.048 175.586 175.510 0.046 0.000 1.203 107 N CA 0.685 53.760 53.050 0.042 0.000 0.945 107 N CB -0.045 38.454 38.487 0.021 0.000 1.165 107 N HN -0.178 8.231 8.380 0.049 0.000 0.485 108 V N 1.849 121.800 119.914 0.061 0.000 2.444 108 V HA 0.391 4.675 4.120 0.051 -0.133 0.294 108 V C -1.193 174.934 176.094 0.054 0.000 1.022 108 V CA -2.790 59.548 62.300 0.064 0.000 0.850 108 V CB 0.866 32.743 31.823 0.089 0.000 0.992 108 V HN 0.456 8.689 8.190 0.072 0.000 0.426 109 N N 7.652 126.372 118.700 0.033 0.000 2.445 109 N HA 0.354 5.097 4.740 0.006 0.000 0.264 109 N C -2.301 173.234 175.510 0.041 0.000 1.227 109 N CA -2.036 51.026 53.050 0.021 0.000 0.963 109 N CB -0.307 38.186 38.487 0.010 0.000 1.188 109 N HN 0.293 9.021 8.380 0.031 -0.329 0.491 110 P HA -0.421 4.182 4.420 0.064 -0.145 0.262 110 P C 0.404 177.726 177.300 0.035 0.000 1.182 110 P CA 1.625 64.753 63.100 0.047 0.000 0.761 110 P CB 0.082 31.804 31.700 0.037 0.000 0.795 111 G N 4.426 113.248 108.800 0.037 0.000 2.194 111 G HA2 -0.410 3.565 3.960 0.025 0.000 0.236 111 G HA3 -0.410 3.567 3.960 0.028 0.000 0.236 111 G C -0.843 174.076 174.900 0.032 0.000 0.987 111 G CA -0.201 44.917 45.100 0.030 0.000 0.635 111 G HN 0.565 8.823 8.290 0.042 0.057 0.520 112 E N 0.461 120.685 120.200 0.040 0.000 2.281 112 E HA 0.380 4.751 4.350 0.035 0.000 0.262 112 E C -1.963 174.667 176.600 0.050 0.000 0.933 112 E CA -1.446 54.978 56.400 0.041 0.000 0.809 112 E CB 3.100 32.824 29.700 0.040 0.000 1.242 112 E HN -0.314 8.018 8.360 0.045 0.056 0.418 113 Q N -2.457 117.372 119.800 0.048 0.000 2.501 113 Q HA 0.914 5.447 4.340 0.067 -0.152 0.288 113 Q C -1.709 174.324 176.000 0.056 0.000 1.051 113 Q CA -1.689 54.148 55.803 0.057 0.000 0.788 113 Q CB 4.342 33.111 28.738 0.052 0.000 1.469 113 Q HN 0.198 8.494 8.270 0.042 0.000 0.416 114 A N 0.340 123.200 122.820 0.066 0.000 2.587 114 A HA 0.529 4.882 4.320 0.054 0.000 0.293 114 A C -2.491 175.136 177.584 0.071 0.000 1.087 114 A CA 0.105 52.181 52.037 0.064 0.000 0.692 114 A CB 3.066 22.108 19.000 0.070 0.000 1.291 114 A HN 0.599 8.794 8.150 0.074 0.000 0.407 115 T N 1.709 116.301 114.554 0.064 0.000 2.841 115 T HA 0.824 5.438 4.350 0.075 -0.220 0.285 115 T C -0.725 174.017 174.700 0.069 0.000 0.991 115 T CA -0.378 61.762 62.100 0.065 0.000 0.966 115 T CB 1.617 70.514 68.868 0.049 0.000 0.962 115 T HN 0.106 8.381 8.240 0.058 0.000 0.438 116 L N 7.232 128.505 121.223 0.084 0.000 2.329 116 L HA 0.449 4.844 4.340 0.091 0.000 0.279 116 L C -2.543 174.366 176.870 0.064 0.000 1.014 116 L CA -1.413 53.486 54.840 0.099 0.000 0.814 116 L CB 3.430 45.585 42.059 0.160 0.000 1.257 116 L HN 0.684 8.968 8.230 0.090 0.000 0.424 117 R N 5.900 126.438 120.500 0.063 0.000 2.637 117 R HA 0.921 5.452 4.340 -0.090 -0.245 0.291 117 R C -0.860 175.510 176.300 0.116 0.000 0.963 117 R CA -1.255 54.849 56.100 0.007 0.000 0.901 117 R CB 2.656 32.957 30.300 0.002 0.000 1.160 117 R HN 0.105 8.421 8.270 0.078 0.000 0.457 118 F N 1.080 121.003 119.950 -0.046 0.000 2.645 118 F HA 0.375 4.907 4.527 0.010 0.000 0.310 118 F C -2.531 173.203 175.800 -0.110 0.000 1.102 118 F CA -2.406 55.557 58.000 -0.062 0.000 0.952 118 F CB 2.591 41.493 39.000 -0.163 0.000 1.326 118 F HN 0.415 8.447 8.300 -0.447 0.000 0.456 119 K N 1.825 122.213 120.400 -0.020 0.000 2.312 119 K HA -0.038 3.672 4.320 -1.017 0.000 0.287 119 K C -0.153 176.317 176.600 -0.217 0.000 1.062 119 K CA 0.126 56.109 56.287 -0.506 0.000 0.934 119 K CB 0.687 32.873 32.500 -0.523 0.000 1.027 119 K HN 0.331 8.656 8.250 0.125 0.000 0.478 120 A N 8.989 131.599 122.820 -0.349 0.000 3.004 120 A HA 0.284 4.567 4.320 -0.062 0.000 0.286 120 A C -1.085 176.405 177.584 -0.157 0.000 1.632 120 A CA -1.661 50.273 52.037 -0.171 0.000 1.339 120 A CB -0.231 18.660 19.000 -0.183 0.000 1.136 120 A HN 0.504 8.340 8.150 -0.523 0.000 0.577 121 D N -0.068 120.252 120.400 -0.134 0.000 2.339 121 D HA -0.085 4.496 4.640 -0.098 0.000 0.217 121 D C -0.577 175.711 176.300 -0.021 0.000 1.050 121 D CA 0.306 54.252 54.000 -0.089 0.000 0.856 121 D CB 0.230 40.978 40.800 -0.087 0.000 0.922 121 D HN -0.266 7.993 8.370 -0.124 0.037 0.518 122 R N -1.136 119.365 120.500 0.001 0.000 2.532 122 R HA 0.242 4.645 4.340 0.105 0.000 0.297 122 R C -1.380 175.063 176.300 0.237 0.000 0.984 122 R CA -1.061 55.109 56.100 0.117 0.000 0.884 122 R CB 2.612 33.013 30.300 0.169 0.000 1.182 122 R HN -0.299 7.874 8.270 -0.048 0.068 0.442 123 S N 2.823 118.649 115.700 0.209 0.000 2.584 123 S HA -0.011 4.721 4.470 0.251 -0.111 0.273 123 S C -0.304 174.334 174.600 0.064 0.000 1.311 123 S CA -0.174 58.157 58.200 0.219 0.000 1.034 123 S CB 1.622 64.950 63.200 0.213 0.000 0.939 123 S HN 0.040 8.447 8.310 0.161 0.000 0.513 124 G N 0.420 109.121 108.800 -0.165 0.000 2.361 124 G HA2 -0.075 3.289 3.960 -1.084 0.000 0.305 124 G HA3 -0.075 2.641 3.960 -2.110 -0.022 0.305 124 G C -2.105 172.345 174.900 -0.749 0.000 1.367 124 G CA -0.036 44.417 45.100 -1.077 0.000 0.951 124 G HN 0.349 8.697 8.290 0.097 0.000 0.615 125 T N -1.122 112.889 114.554 -0.905 0.000 2.806 125 T HA 0.627 5.041 4.350 -0.151 -0.154 0.290 125 T C -1.376 173.026 174.700 -0.497 0.000 0.966 125 T CA -1.365 60.492 62.100 -0.404 0.000 1.060 125 T CB 0.910 69.616 68.868 -0.270 0.000 0.927 125 T HN -0.062 7.469 8.240 -1.181 0.000 0.485 126 F N 3.696 123.612 119.950 -0.057 0.000 2.556 126 F HA 0.241 4.776 4.527 0.012 0.000 0.314 126 F C -1.261 174.521 175.800 -0.031 0.000 1.106 126 F CA -0.956 57.047 58.000 0.005 0.000 0.911 126 F CB 3.942 42.987 39.000 0.074 0.000 1.190 126 F HN 0.565 8.990 8.300 0.208 0.000 0.448 127 V N 2.351 122.293 119.914 0.045 0.000 2.843 127 V HA 0.129 4.293 4.120 -0.216 -0.174 0.305 127 V C -0.252 175.676 176.094 -0.277 0.000 1.065 127 V CA 0.425 62.594 62.300 -0.219 0.000 1.116 127 V CB 0.295 31.913 31.823 -0.342 0.000 0.968 127 V HN 0.770 9.019 8.190 0.098 0.000 0.487 128 Y N 1.860 121.962 120.300 -0.331 0.000 2.524 128 Y HA 1.004 5.359 4.550 -0.609 -0.171 0.344 128 Y C -1.638 174.059 175.900 -0.338 0.000 1.012 128 Y CA -3.325 54.438 58.100 -0.560 0.000 1.068 128 Y CB 2.800 40.636 38.460 -1.039 0.000 1.249 128 Y HN 0.547 8.484 8.280 -0.573 0.000 0.468 129 H N -3.700 115.288 119.070 -0.135 0.000 3.003 129 H HA 0.486 5.285 4.556 0.213 -0.115 0.327 129 H C -1.815 173.655 175.328 0.237 0.000 1.353 129 H CA -1.490 54.607 56.048 0.082 0.000 1.142 129 H CB 1.653 31.413 29.762 -0.003 0.000 1.864 129 H HN 0.400 8.423 8.280 -0.429 0.000 0.529 130 C N 1.186 120.794 119.300 0.514 0.000 2.652 130 C HA 0.198 5.010 4.460 0.316 -0.162 0.412 130 C C -0.960 174.223 174.990 0.323 0.000 1.294 130 C CA -0.094 59.133 59.018 0.349 0.000 2.127 130 C CB 0.008 27.899 27.740 0.252 0.000 2.691 130 C HN -0.064 8.515 8.230 0.581 0.000 0.615 131 A N 6.535 129.446 122.820 0.151 0.000 3.474 131 A HA 0.453 4.874 4.320 0.169 0.000 0.251 131 A C -3.337 174.248 177.584 0.002 0.000 1.062 131 A CA -1.595 50.517 52.037 0.126 0.000 0.945 131 A CB 0.447 19.540 19.000 0.156 0.000 1.296 131 A HN 0.536 9.083 8.150 0.103 -0.335 0.592 132 P HA 0.110 4.467 4.420 -0.104 0.000 0.280 132 P C -0.861 176.389 177.300 -0.084 0.000 1.244 132 P CA -1.119 61.882 63.100 -0.166 0.000 0.784 132 P CB 1.109 32.572 31.700 -0.394 0.000 0.913 133 E N 3.828 124.004 120.200 -0.040 0.000 2.558 133 E HA -0.421 3.934 4.350 0.009 0.000 0.255 133 E C 1.040 177.640 176.600 -0.000 0.000 0.968 133 E CA 1.538 57.933 56.400 -0.007 0.000 0.939 133 E CB 0.091 29.789 29.700 -0.004 0.000 0.921 133 E HN 0.266 8.601 8.360 -0.042 0.000 0.477 134 G N 5.516 114.333 108.800 0.029 0.000 2.225 134 G HA2 -0.323 3.655 3.960 0.031 0.000 0.254 134 G HA3 -0.323 3.668 3.960 0.053 0.000 0.254 134 G C -1.220 173.741 174.900 0.102 0.000 0.988 134 G CA 0.506 45.635 45.100 0.049 0.000 0.625 134 G HN 0.466 8.777 8.290 0.035 0.000 0.527 135 M N -4.895 114.775 119.600 0.117 0.000 4.045 135 M HA 0.475 5.152 4.480 0.328 0.000 0.498 135 M C -1.278 175.187 176.300 0.276 0.000 1.896 135 M CA -0.092 55.378 55.300 0.283 0.000 0.626 135 M CB 0.829 33.680 32.600 0.418 0.000 1.458 135 M HN -0.395 7.859 8.290 0.061 0.073 0.556 136 V N 3.743 123.759 119.914 0.170 0.000 2.237 136 V HA -0.180 4.016 4.120 0.125 0.000 0.245 136 V C -0.139 176.077 176.094 0.204 0.000 1.046 136 V CA 5.115 67.508 62.300 0.156 0.000 1.007 136 V CB -2.774 29.127 31.823 0.130 0.000 0.638 136 V HN 0.257 8.533 8.190 0.143 0.000 0.445 137 P HA -0.096 4.382 4.420 0.096 0.000 0.217 137 P C 1.438 178.891 177.300 0.256 0.000 1.150 137 P CA 2.818 66.006 63.100 0.147 0.000 0.832 137 P CB -0.602 31.140 31.700 0.070 0.000 0.787 138 W N -0.831 120.553 121.300 0.140 0.000 2.338 138 W HA -0.291 4.423 4.660 0.089 0.000 0.304 138 W C 1.561 178.184 176.519 0.174 0.000 1.212 138 W CA 2.652 60.092 57.345 0.159 0.000 1.264 138 W CB -0.773 28.842 29.460 0.260 0.000 1.142 138 W HN -0.043 8.426 8.180 0.481 0.000 0.512 139 H N -1.452 117.628 119.070 0.018 0.000 2.389 139 H HA -0.269 4.050 4.556 -0.396 0.000 0.299 139 H C 2.443 177.743 175.328 -0.047 0.000 1.081 139 H CA 3.512 59.467 56.048 -0.156 0.000 1.345 139 H CB 0.417 30.156 29.762 -0.038 0.000 1.393 139 H HN -0.743 7.863 8.280 0.544 0.000 0.520 140 V N -0.742 119.272 119.914 0.167 0.000 2.270 140 V HA -0.303 3.905 4.120 0.146 0.000 0.245 140 V C 2.788 178.972 176.094 0.150 0.000 1.043 140 V CA 3.746 66.118 62.300 0.120 0.000 1.014 140 V CB -0.364 31.458 31.823 -0.001 0.000 0.645 140 V HN -0.460 7.852 8.190 0.205 0.000 0.447 141 V N -4.810 115.202 119.914 0.164 0.000 2.970 141 V HA -0.209 4.078 4.120 0.279 0.000 0.260 141 V C 1.261 177.469 176.094 0.191 0.000 1.100 141 V CA 2.604 65.051 62.300 0.245 0.000 1.122 141 V CB -1.520 30.507 31.823 0.341 0.000 0.721 141 V HN 0.079 8.365 8.190 0.159 0.000 0.483 142 S N -1.138 114.583 115.700 0.035 0.000 2.562 142 S HA -0.100 4.347 4.470 -0.038 0.000 0.221 142 S C -0.069 174.440 174.600 -0.150 0.000 0.975 142 S CA 2.468 60.606 58.200 -0.105 0.000 0.918 142 S CB 0.425 63.403 63.200 -0.370 0.000 0.772 142 S HN -0.457 7.815 8.310 -0.001 0.038 0.531 143 G N -1.616 107.149 108.800 -0.060 0.000 2.370 143 G HA2 -0.247 3.596 3.960 -0.325 0.000 0.174 143 G HA3 -0.247 3.509 3.960 -0.340 0.000 0.174 143 G C -0.840 174.061 174.900 0.001 0.000 1.002 143 G CA -0.090 44.899 45.100 -0.186 0.000 0.730 143 G HN -0.413 7.747 8.290 0.052 0.161 0.497 144 M N 3.803 123.437 119.600 0.057 0.000 3.213 144 M HA 0.109 4.601 4.480 0.021 0.000 0.275 144 M C -2.046 174.504 176.300 0.416 0.000 1.424 144 M CA 0.122 55.476 55.300 0.090 0.000 1.561 144 M CB -1.830 30.685 32.600 -0.141 0.000 1.109 144 M HN -0.494 7.822 8.290 0.043 0.000 0.552 145 S N -1.303 114.637 115.700 0.399 0.000 2.588 145 S HA 0.937 5.585 4.470 0.021 -0.165 0.269 145 S C -1.323 173.138 174.600 -0.232 0.000 1.157 145 S CA -1.656 56.588 58.200 0.074 0.000 0.824 145 S CB 3.577 66.780 63.200 0.005 0.000 1.126 145 S HN -0.336 8.170 8.310 0.408 0.049 0.464 146 G N -2.191 106.030 108.800 -0.964 0.000 2.570 146 G HA2 0.246 3.646 3.960 -0.933 0.000 0.310 146 G HA3 0.246 3.961 3.960 -0.408 0.000 0.310 146 G C -2.752 171.608 174.900 -0.899 0.000 1.266 146 G CA 0.301 44.867 45.100 -0.891 0.000 0.825 146 G HN 0.257 7.809 8.290 -1.229 0.000 0.483 147 T N 0.802 115.158 114.554 -0.329 0.000 2.841 147 T HA 0.575 5.043 4.350 -0.079 -0.165 0.283 147 T C -1.670 173.165 174.700 0.224 0.000 1.000 147 T CA -0.215 61.859 62.100 -0.042 0.000 0.977 147 T CB 2.897 71.741 68.868 -0.039 0.000 0.979 147 T HN 0.042 8.177 8.240 -0.176 0.000 0.446 148 L N 7.325 128.724 121.223 0.293 0.000 2.272 148 L HA 0.605 5.220 4.340 0.186 -0.163 0.289 148 L C -2.545 174.450 176.870 0.209 0.000 1.032 148 L CA -1.177 53.823 54.840 0.266 0.000 0.810 148 L CB 2.408 44.700 42.059 0.388 0.000 1.205 148 L HN 0.762 9.168 8.230 0.293 0.000 0.422 149 M N 8.221 127.878 119.600 0.096 0.000 2.149 149 M HA 0.492 5.197 4.480 0.113 -0.158 0.342 149 M C -2.276 174.067 176.300 0.073 0.000 1.068 149 M CA -1.095 54.250 55.300 0.075 0.000 0.991 149 M CB 2.697 35.287 32.600 -0.018 0.000 1.596 149 M HN 0.887 9.206 8.290 0.050 0.000 0.439 150 V N 7.363 127.374 119.914 0.162 0.000 2.294 150 V HA 0.306 4.610 4.120 0.028 -0.167 0.272 150 V C -1.281 174.901 176.094 0.147 0.000 1.027 150 V CA -1.639 60.733 62.300 0.119 0.000 0.823 150 V CB -0.835 31.097 31.823 0.181 0.000 1.030 150 V HN 0.935 9.259 8.190 0.223 0.000 0.457 151 L N 8.700 129.899 121.223 -0.041 0.000 2.397 151 L HA 0.242 4.603 4.340 0.037 0.000 0.271 151 L C -1.795 175.100 176.870 0.043 0.000 1.148 151 L CA -1.981 52.824 54.840 -0.057 0.000 0.825 151 L CB 0.004 41.904 42.059 -0.265 0.000 1.117 151 L HN 0.493 8.606 8.230 -0.195 0.000 0.456 152 P HA 0.057 4.538 4.420 0.101 0.000 0.267 152 P C 0.676 178.071 177.300 0.159 0.000 1.200 152 P CA -0.243 62.907 63.100 0.083 0.000 0.772 152 P CB 0.596 32.310 31.700 0.024 0.000 0.855 153 R N 2.547 123.133 120.500 0.143 0.000 2.152 153 R HA -0.390 4.079 4.340 0.214 0.000 0.232 153 R C 0.111 176.447 176.300 0.058 0.000 1.117 153 R CA 3.674 59.847 56.100 0.123 0.000 0.981 153 R CB 0.088 30.415 30.300 0.044 0.000 0.870 153 R HN 0.569 8.902 8.270 0.106 0.000 0.451 154 D N -5.295 115.130 120.400 0.041 0.000 2.395 154 D HA 0.029 4.671 4.640 0.003 0.000 0.226 154 D C -0.672 175.633 176.300 0.008 0.000 1.146 154 D CA -0.808 53.200 54.000 0.013 0.000 0.830 154 D CB -0.141 40.659 40.800 0.001 0.000 0.958 154 D HN -0.053 8.321 8.370 0.044 0.022 0.501 155 G N -1.587 107.225 108.800 0.021 0.000 2.796 155 G HA2 -0.358 3.590 3.960 -0.021 0.000 0.571 155 G HA3 -0.358 3.587 3.960 -0.026 0.000 0.571 155 G C -1.423 173.414 174.900 -0.104 0.000 1.370 155 G CA -0.531 44.551 45.100 -0.030 0.000 0.856 155 G HN -0.561 7.588 8.290 0.061 0.178 0.538 156 L N 0.038 121.159 121.223 -0.169 0.000 2.439 156 L HA 0.030 4.163 4.340 -0.345 0.000 0.269 156 L C -0.606 176.226 176.870 -0.063 0.000 1.179 156 L CA 0.250 54.951 54.840 -0.231 0.000 0.828 156 L CB 0.332 42.220 42.059 -0.284 0.000 1.106 156 L HN 0.260 8.402 8.230 -0.148 0.000 0.467 157 K N -0.722 119.680 120.400 0.003 0.000 2.426 157 K HA 0.821 5.292 4.320 -0.063 -0.188 0.251 157 K C -0.663 175.885 176.600 -0.086 0.000 0.941 157 K CA -2.633 53.636 56.287 -0.029 0.000 0.808 157 K CB 3.551 36.037 32.500 -0.023 0.000 1.265 157 K HN 0.158 8.434 8.250 0.043 0.000 0.432 158 D N 1.486 121.695 120.400 -0.318 0.000 2.433 158 D HA 0.281 4.360 4.640 -0.934 0.000 0.255 158 D C 0.121 176.172 176.300 -0.415 0.000 1.226 158 D CA -2.141 51.442 54.000 -0.694 0.000 1.015 158 D CB -0.319 39.912 40.800 -0.949 0.000 1.091 158 D HN 0.126 8.336 8.370 -0.267 0.000 0.527 159 P HA -0.078 4.264 4.420 -0.130 0.000 0.222 159 P C 0.036 177.277 177.300 -0.098 0.000 1.147 159 P CA 2.070 65.062 63.100 -0.179 0.000 0.790 159 P CB 0.117 31.755 31.700 -0.102 0.000 0.780 160 Q N -4.236 115.499 119.800 -0.109 0.000 2.319 160 Q HA 0.088 4.407 4.340 -0.035 0.000 0.202 160 Q C 0.650 176.617 176.000 -0.055 0.000 0.896 160 Q CA -0.538 55.232 55.803 -0.055 0.000 0.942 160 Q CB -0.058 28.660 28.738 -0.033 0.000 1.083 160 Q HN -0.337 8.020 8.270 -0.162 -0.184 0.510 161 G N -1.232 107.523 108.800 -0.075 0.000 2.157 161 G HA2 -0.486 3.453 3.960 -0.036 0.000 0.248 161 G HA3 -0.486 3.446 3.960 -0.048 0.000 0.248 161 G C -0.652 174.213 174.900 -0.058 0.000 0.979 161 G CA -0.024 45.044 45.100 -0.053 0.000 0.650 161 G HN -0.278 7.826 8.290 -0.104 0.123 0.529 162 K N 1.480 121.830 120.400 -0.082 0.000 2.237 162 K HA 0.289 4.582 4.320 -0.045 0.000 0.270 162 K C -2.115 174.441 176.600 -0.073 0.000 1.015 162 K CA -2.457 53.790 56.287 -0.066 0.000 0.949 162 K CB 0.007 32.473 32.500 -0.056 0.000 0.976 162 K HN -0.519 7.901 8.250 -0.106 -0.233 0.472 163 P HA 0.139 4.671 4.420 -0.033 -0.132 0.275 163 P C -1.027 176.265 177.300 -0.014 0.000 1.227 163 P CA -0.220 62.863 63.100 -0.028 0.000 0.781 163 P CB 0.639 32.327 31.700 -0.019 0.000 0.906 164 L N 1.677 122.902 121.223 0.004 0.000 2.346 164 L HA 0.307 4.690 4.340 0.072 0.000 0.274 164 L C -1.939 174.997 176.870 0.109 0.000 1.007 164 L CA -1.128 53.748 54.840 0.060 0.000 0.818 164 L CB 1.878 43.972 42.059 0.058 0.000 1.284 164 L HN 0.122 8.349 8.230 -0.006 0.000 0.424 165 H N 3.320 122.396 119.070 0.010 0.000 2.806 165 H HA 0.453 5.090 4.556 -0.153 -0.172 0.367 165 H C -2.126 173.213 175.328 0.019 0.000 1.136 165 H CA -1.625 54.380 56.048 -0.071 0.000 1.178 165 H CB 3.243 32.942 29.762 -0.104 0.000 1.718 165 H HN -0.153 8.240 8.280 0.188 0.000 0.540 166 Y N -0.225 119.813 120.300 -0.436 0.000 2.509 166 Y HA 0.229 4.721 4.550 -0.097 0.000 0.341 166 Y C -1.169 174.521 175.900 -0.350 0.000 1.038 166 Y CA -2.259 55.688 58.100 -0.255 0.000 1.089 166 Y CB 1.656 40.023 38.460 -0.155 0.000 1.241 166 Y HN -0.218 7.597 8.280 -1.238 -0.278 0.468 167 D N 1.520 121.942 120.400 0.037 0.000 2.301 167 D HA 0.045 4.675 4.640 -0.015 0.000 0.206 167 D C -0.334 175.975 176.300 0.015 0.000 0.979 167 D CA 2.202 56.213 54.000 0.019 0.000 0.874 167 D CB 1.408 42.251 40.800 0.072 0.000 0.968 167 D HN 0.432 8.875 8.370 0.122 0.000 0.510 168 R N -1.149 119.393 120.500 0.070 0.000 2.604 168 R HA 0.215 4.514 4.340 -0.068 0.000 0.270 168 R C -2.937 173.297 176.300 -0.110 0.000 1.052 168 R CA -0.339 55.717 56.100 -0.074 0.000 0.902 168 R CB 3.376 33.540 30.300 -0.226 0.000 1.233 168 R HN -0.861 7.493 8.270 0.140 0.000 0.455 169 A N 4.435 127.140 122.820 -0.192 0.000 2.330 169 A HA 0.783 5.096 4.320 -0.305 -0.177 0.327 169 A C -1.940 175.444 177.584 -0.334 0.000 1.155 169 A CA -1.641 50.239 52.037 -0.262 0.000 0.803 169 A CB 2.687 21.593 19.000 -0.157 0.000 1.208 169 A HN 0.327 8.389 8.150 -0.147 0.000 0.477 170 Y N -0.338 119.929 120.300 -0.055 0.000 2.485 170 Y HA 0.812 5.545 4.550 -0.025 -0.197 0.345 170 Y C -0.525 175.328 175.900 -0.079 0.000 0.998 170 Y CA -2.341 55.728 58.100 -0.051 0.000 1.059 170 Y CB 3.965 42.388 38.460 -0.061 0.000 1.234 170 Y HN 0.459 8.712 8.280 -0.044 0.000 0.461 171 T N 3.498 118.123 114.554 0.118 0.000 2.792 171 T HA 0.449 4.943 4.350 -0.012 -0.151 0.280 171 T C -1.657 173.015 174.700 -0.047 0.000 0.990 171 T CA -1.552 60.554 62.100 0.011 0.000 0.960 171 T CB 1.072 69.946 68.868 0.011 0.000 0.939 171 T HN 0.461 8.697 8.240 0.172 0.108 0.439 172 I N 8.346 128.819 120.570 -0.162 0.000 2.382 172 I HA 0.319 4.517 4.170 -0.241 -0.173 0.286 172 I C -1.707 174.149 176.117 -0.435 0.000 1.002 172 I CA -1.296 59.799 61.300 -0.341 0.000 1.135 172 I CB 2.234 39.907 38.000 -0.545 0.000 1.288 172 I HN 0.578 8.696 8.210 -0.152 0.000 0.448 173 G N 6.199 114.855 108.800 -0.240 0.000 2.368 173 G HA2 0.504 4.453 3.960 -0.019 0.000 0.320 173 G HA3 0.504 4.378 3.960 -0.381 -0.143 0.320 173 G C -2.816 171.949 174.900 -0.225 0.000 1.158 173 G CA -1.764 43.195 45.100 -0.234 0.000 0.912 173 G HN 0.442 8.949 8.290 -0.108 -0.282 0.456 174 E N 6.161 126.092 120.200 -0.449 0.000 2.151 174 E HA 0.783 5.438 4.350 0.198 -0.187 0.275 174 E C -1.861 174.459 176.600 -0.466 0.000 0.936 174 E CA -2.502 53.821 56.400 -0.128 0.000 0.777 174 E CB 3.388 33.167 29.700 0.132 0.000 1.108 174 E HN 0.112 8.151 8.360 -0.535 0.000 0.401 175 F N 4.271 124.261 119.950 0.068 0.000 2.496 175 F HA 0.270 4.814 4.527 0.028 0.000 0.341 175 F C -1.652 174.151 175.800 0.005 0.000 1.134 175 F CA -1.333 56.683 58.000 0.027 0.000 0.968 175 F CB 2.710 41.713 39.000 0.004 0.000 1.205 175 F HN 0.560 9.022 8.300 0.270 0.000 0.436 176 D N 3.858 124.316 120.400 0.097 0.000 2.338 176 D HA 0.042 4.642 4.640 -0.066 0.000 0.255 176 D C -0.969 175.285 176.300 -0.077 0.000 1.237 176 D CA -0.277 53.714 54.000 -0.016 0.000 0.883 176 D CB -0.533 40.284 40.800 0.029 0.000 1.087 176 D HN 0.162 8.572 8.370 0.068 0.000 0.485 177 L N 1.903 122.996 121.223 -0.218 0.000 2.334 177 L HA 0.281 4.639 4.340 0.030 0.000 0.275 177 L C -1.150 175.453 176.870 -0.445 0.000 1.036 177 L CA -1.114 53.637 54.840 -0.150 0.000 0.807 177 L CB 2.462 44.487 42.059 -0.056 0.000 1.231 177 L HN 0.224 8.335 8.230 -0.198 0.000 0.438 178 Y N -0.456 119.917 120.300 0.123 0.000 2.562 178 Y HA 0.097 4.728 4.550 0.135 0.000 0.363 178 Y C -1.448 174.542 175.900 0.150 0.000 0.991 178 Y CA -1.662 56.516 58.100 0.129 0.000 1.121 178 Y CB -1.023 37.499 38.460 0.104 0.000 1.159 178 Y HN 0.253 8.667 8.280 0.224 0.000 0.651 179 I N 1.424 122.129 120.570 0.224 0.000 2.396 179 I HA 0.094 4.407 4.170 0.239 0.000 0.289 179 I C -1.247 175.092 176.117 0.369 0.000 1.056 179 I CA -4.592 56.851 61.300 0.238 0.000 1.365 179 I CB -1.191 36.826 38.000 0.028 0.000 1.407 179 I HN -0.596 7.723 8.210 0.181 0.000 0.509 180 P HA 0.041 4.605 4.420 0.239 0.000 0.272 180 P C -1.640 175.824 177.300 0.273 0.000 1.223 180 P CA -0.383 62.889 63.100 0.287 0.000 0.784 180 P CB 0.639 32.511 31.700 0.288 0.000 0.923 181 K N 0.338 120.811 120.400 0.121 0.000 2.208 181 K HA 0.576 5.032 4.320 -0.029 -0.153 0.247 181 K C -0.478 176.117 176.600 -0.009 0.000 0.953 181 K CA -1.289 54.985 56.287 -0.023 0.000 0.837 181 K CB 3.330 35.729 32.500 -0.169 0.000 1.131 181 K HN 0.009 8.324 8.250 0.110 0.000 0.431 182 G N -0.510 108.265 108.800 -0.041 0.000 2.557 182 G HA2 0.502 4.441 3.960 -0.034 0.000 0.302 182 G HA3 0.502 4.456 3.960 -0.010 0.000 0.302 182 G C -0.941 173.935 174.900 -0.041 0.000 1.311 182 G CA -2.048 43.035 45.100 -0.030 0.000 1.030 182 G HN -0.015 8.238 8.290 -0.062 0.000 0.509 183 P HA -0.091 4.311 4.420 -0.029 0.000 0.230 183 P C -1.006 176.272 177.300 -0.037 0.000 1.158 183 P CA 1.692 64.775 63.100 -0.029 0.000 0.769 183 P CB -0.243 31.446 31.700 -0.019 0.000 0.807 184 D N -3.570 116.805 120.400 -0.043 0.000 2.349 184 D HA -0.113 4.504 4.640 -0.040 0.000 0.224 184 D C 1.193 177.454 176.300 -0.065 0.000 1.029 184 D CA -0.668 53.305 54.000 -0.046 0.000 0.879 184 D CB -1.151 39.625 40.800 -0.040 0.000 0.906 184 D HN -0.427 7.872 8.370 -0.042 0.046 0.528 185 G N 0.918 109.666 108.800 -0.085 0.000 2.184 185 G HA2 -0.519 3.377 3.960 -0.108 0.000 0.264 185 G HA3 -0.519 3.360 3.960 -0.136 0.000 0.264 185 G C -0.900 173.889 174.900 -0.186 0.000 0.975 185 G CA 0.334 45.358 45.100 -0.125 0.000 0.642 185 G HN -0.069 7.997 8.290 -0.078 0.177 0.536 186 K N 0.545 120.854 120.400 -0.152 0.000 2.110 186 K HA 0.341 4.553 4.320 -0.180 0.000 0.263 186 K C -0.437 176.061 176.600 -0.171 0.000 0.975 186 K CA -1.339 54.859 56.287 -0.149 0.000 0.895 186 K CB 1.836 34.300 32.500 -0.059 0.000 1.060 186 K HN -0.670 7.709 8.250 -0.113 -0.197 0.448 187 Y N 0.666 120.966 120.300 0.000 0.000 2.597 187 Y HA -0.110 4.605 4.550 0.019 -0.154 0.336 187 Y C 1.255 177.122 175.900 -0.056 0.000 1.216 187 Y CA 1.504 59.606 58.100 0.005 0.000 1.463 187 Y CB 0.089 38.576 38.460 0.045 0.000 1.303 187 Y HN 0.208 8.436 8.280 -0.086 0.000 0.576 188 K N 3.139 123.580 120.400 0.068 0.000 2.237 188 K HA -0.061 4.145 4.320 -0.189 0.000 0.270 188 K C -0.937 175.502 176.600 -0.269 0.000 1.015 188 K CA -0.218 55.946 56.287 -0.206 0.000 0.949 188 K CB 0.730 32.968 32.500 -0.437 0.000 0.976 188 K HN 0.007 8.348 8.250 0.151 0.000 0.472 189 D N 1.823 122.023 120.400 -0.334 0.000 2.408 189 D HA 0.120 4.683 4.640 -0.130 0.000 0.243 189 D C -1.143 174.972 176.300 -0.309 0.000 1.075 189 D CA -0.963 52.905 54.000 -0.220 0.000 0.832 189 D CB 1.150 41.897 40.800 -0.089 0.000 1.162 189 D HN 0.021 8.203 8.370 -0.313 0.000 0.515 190 Y N 2.716 123.045 120.300 0.047 0.000 2.387 190 Y HA 0.074 4.651 4.550 0.046 0.000 0.336 190 Y C 0.467 176.392 175.900 0.041 0.000 1.067 190 Y CA -0.906 57.224 58.100 0.050 0.000 1.114 190 Y CB 1.923 40.424 38.460 0.068 0.000 1.208 190 Y HN 0.039 8.386 8.280 0.111 0.000 0.458 191 A N 0.545 123.479 122.820 0.190 0.000 2.016 191 A HA -0.096 4.279 4.320 0.091 0.000 0.217 191 A C -0.422 177.230 177.584 0.114 0.000 1.162 191 A CA 1.295 53.401 52.037 0.116 0.000 0.662 191 A CB 0.326 19.377 19.000 0.084 0.000 0.812 191 A HN 0.608 8.881 8.150 0.205 0.000 0.450 192 T N -7.312 107.326 114.554 0.139 0.000 2.883 192 T HA 0.133 4.535 4.350 0.086 0.000 0.296 192 T C -0.185 174.582 174.700 0.111 0.000 1.117 192 T CA -1.857 60.305 62.100 0.103 0.000 1.006 192 T CB 2.484 71.399 68.868 0.079 0.000 1.191 192 T HN -0.953 7.454 8.240 0.179 -0.059 0.508 193 L N 1.638 122.920 121.223 0.098 0.000 2.017 193 L HA -0.298 4.195 4.340 0.137 -0.071 0.208 193 L C 1.370 178.369 176.870 0.215 0.000 1.073 193 L CA 3.378 58.302 54.840 0.139 0.000 0.745 193 L CB -0.099 42.008 42.059 0.080 0.000 0.894 193 L HN 0.551 8.829 8.230 0.080 0.000 0.432 194 A N -3.164 119.753 122.820 0.161 0.000 1.933 194 A HA -0.343 4.104 4.320 0.211 0.000 0.218 194 A C 2.172 179.769 177.584 0.022 0.000 1.175 194 A CA 2.814 54.926 52.037 0.125 0.000 0.628 194 A CB -1.001 18.037 19.000 0.063 0.000 0.814 194 A HN 0.131 8.355 8.150 0.123 0.000 0.444 195 E N -3.115 117.088 120.200 0.004 0.000 2.265 195 E HA -0.273 4.068 4.350 -0.015 0.000 0.196 195 E C 1.492 177.896 176.600 -0.327 0.000 0.996 195 E CA 2.455 58.830 56.400 -0.043 0.000 0.832 195 E CB -0.225 29.532 29.700 0.095 0.000 0.756 195 E HN -0.501 7.864 8.360 0.042 0.020 0.491 196 S N -2.449 112.936 115.700 -0.525 0.000 2.527 196 S HA -0.112 3.165 4.470 -1.989 0.000 0.222 196 S C 0.579 174.890 174.600 -0.481 0.000 0.985 196 S CA 1.840 59.449 58.200 -0.985 0.000 0.921 196 S CB 0.424 63.261 63.200 -0.605 0.000 0.772 196 S HN -0.522 7.480 8.310 -0.262 0.150 0.529 197 Y N 3.968 123.944 120.300 -0.539 0.000 2.070 197 Y HA -0.403 3.402 4.550 -1.241 0.000 0.279 197 Y C 1.246 176.806 175.900 -0.567 0.000 1.134 197 Y CA 4.728 62.309 58.100 -0.866 0.000 1.113 197 Y CB -0.250 37.606 38.460 -1.008 0.000 0.981 197 Y HN -0.696 7.396 8.280 -0.209 0.062 0.487 198 G N -3.263 105.262 108.800 -0.459 0.000 2.418 198 G HA2 -0.425 3.401 3.960 -0.224 0.000 0.217 198 G HA3 -0.425 3.147 3.960 -0.648 0.000 0.217 198 G C 1.241 175.943 174.900 -0.330 0.000 1.158 198 G CA 2.013 46.853 45.100 -0.432 0.000 0.771 198 G HN 0.427 8.598 8.290 -0.199 0.000 0.545 199 D N 0.716 120.993 120.400 -0.204 0.000 2.144 199 D HA -0.218 4.388 4.640 -0.057 0.000 0.199 199 D C 2.056 178.300 176.300 -0.095 0.000 0.984 199 D CA 3.438 57.391 54.000 -0.078 0.000 0.834 199 D CB -0.658 40.190 40.800 0.080 0.000 0.955 199 D HN -0.016 8.234 8.370 -0.199 0.000 0.465 200 T N 3.212 117.658 114.554 -0.180 0.000 2.777 200 T HA -0.246 4.123 4.350 0.030 0.000 0.266 200 T C 1.812 176.398 174.700 -0.190 0.000 1.040 200 T CA 4.396 66.433 62.100 -0.105 0.000 1.141 200 T CB -0.109 68.718 68.868 -0.069 0.000 0.868 200 T HN -0.556 7.525 8.240 -0.265 0.000 0.444 201 V N 1.784 121.448 119.914 -0.416 0.000 2.332 201 V HA -0.368 3.558 4.120 -0.325 0.000 0.248 201 V C 1.964 177.925 176.094 -0.221 0.000 1.055 201 V CA 4.221 66.293 62.300 -0.380 0.000 1.038 201 V CB -1.264 30.211 31.823 -0.580 0.000 0.651 201 V HN -0.053 7.780 8.190 -0.595 0.000 0.450 202 Q N -0.758 118.937 119.800 -0.175 0.000 2.084 202 Q HA -0.313 3.970 4.340 -0.096 0.000 0.202 202 Q C 2.753 178.729 176.000 -0.041 0.000 0.978 202 Q CA 3.352 59.099 55.803 -0.093 0.000 0.844 202 Q CB -0.044 28.655 28.738 -0.065 0.000 0.898 202 Q HN -0.764 7.376 8.270 -0.205 0.007 0.426 203 V N -0.529 119.385 119.914 0.001 0.000 2.343 203 V HA -0.426 3.751 4.120 0.095 0.000 0.247 203 V C 2.563 178.696 176.094 0.065 0.000 1.051 203 V CA 3.479 65.836 62.300 0.094 0.000 1.036 203 V CB -0.578 31.364 31.823 0.198 0.000 0.654 203 V HN -0.655 7.529 8.190 -0.011 0.000 0.451 204 M N -0.311 119.219 119.600 -0.117 0.000 2.106 204 M HA -0.508 3.369 4.480 -1.005 0.000 0.259 204 M C 2.462 178.603 176.300 -0.264 0.000 1.068 204 M CA 4.550 59.563 55.300 -0.479 0.000 1.100 204 M CB -0.445 31.884 32.600 -0.451 0.000 1.351 204 M HN 0.120 8.353 8.290 -0.095 0.000 0.404 205 R N -2.932 117.484 120.500 -0.139 0.000 2.237 205 R HA -0.208 4.075 4.340 -0.095 0.000 0.219 205 R C 1.675 177.955 176.300 -0.032 0.000 1.080 205 R CA 2.371 58.420 56.100 -0.084 0.000 0.995 205 R CB -0.310 29.947 30.300 -0.071 0.000 0.875 205 R HN -0.302 7.872 8.270 -0.129 0.018 0.462 206 T N -2.703 111.854 114.554 0.004 0.000 3.055 206 T HA -0.151 4.215 4.350 0.027 0.000 0.265 206 T C 0.660 175.403 174.700 0.072 0.000 1.111 206 T CA 1.293 63.419 62.100 0.043 0.000 1.118 206 T CB 0.680 69.591 68.868 0.071 0.000 0.909 206 T HN -0.474 7.625 8.240 0.004 0.144 0.501 207 L N -3.467 117.807 121.223 0.085 0.000 4.429 207 L HA -0.414 4.065 4.340 0.136 -0.058 0.422 207 L C -1.775 175.240 176.870 0.241 0.000 1.149 207 L CA 0.861 55.786 54.840 0.142 0.000 0.972 207 L CB -2.920 39.186 42.059 0.078 0.000 2.059 207 L HN -0.241 7.839 8.230 0.038 0.173 0.870 208 T N 1.931 116.645 114.554 0.267 0.000 2.821 208 T HA 0.368 4.795 4.350 0.128 0.000 0.307 208 T C -2.351 172.428 174.700 0.132 0.000 1.034 208 T CA -2.321 59.881 62.100 0.170 0.000 0.953 208 T CB 0.729 69.657 68.868 0.100 0.000 0.968 208 T HN -0.816 7.521 8.240 0.267 0.063 0.462 209 P HA 0.085 4.038 4.420 -0.956 -0.106 0.271 209 P C 0.098 177.282 177.300 -0.192 0.000 1.216 209 P CA -0.545 62.279 63.100 -0.460 0.000 0.776 209 P CB 0.845 32.284 31.700 -0.434 0.000 0.881 210 S N 1.316 116.929 115.700 -0.144 0.000 2.406 210 S HA -0.211 4.242 4.470 -0.029 0.000 0.228 210 S C -0.298 174.118 174.600 -0.308 0.000 1.020 210 S CA 2.711 60.877 58.200 -0.057 0.000 0.965 210 S CB 1.087 64.390 63.200 0.172 0.000 0.798 210 S HN 0.177 8.363 8.310 -0.206 0.000 0.488 211 H N -2.211 116.759 119.070 -0.166 0.000 3.012 211 H HA 0.367 4.960 4.556 -0.123 -0.111 0.367 211 H C -2.456 172.778 175.328 -0.156 0.000 1.211 211 H CA -0.739 55.219 56.048 -0.151 0.000 1.139 211 H CB 4.226 33.889 29.762 -0.165 0.000 1.838 211 H HN -1.010 7.213 8.280 -0.043 0.031 0.550 212 I N 1.844 122.410 120.570 -0.006 0.000 2.497 212 I HA 0.432 4.805 4.170 0.001 -0.203 0.284 212 I C -1.947 174.147 176.117 -0.037 0.000 1.060 212 I CA -0.843 60.442 61.300 -0.025 0.000 1.071 212 I CB 1.815 39.780 38.000 -0.059 0.000 1.216 212 I HN 0.321 8.404 8.210 -0.017 0.116 0.442 213 V N -0.349 119.597 119.914 0.054 0.000 2.864 213 V HA 0.565 4.789 4.120 -0.088 -0.156 0.314 213 V C -1.629 174.626 176.094 0.267 0.000 1.073 213 V CA -3.994 58.332 62.300 0.044 0.000 0.956 213 V CB 3.311 35.154 31.823 0.032 0.000 1.023 213 V HN 0.293 8.554 8.190 0.118 0.000 0.435 214 F N 1.951 121.921 119.950 0.035 0.000 2.404 214 F HA 0.487 5.244 4.527 0.077 -0.183 0.345 214 F C 0.800 176.638 175.800 0.064 0.000 1.110 214 F CA -3.063 54.968 58.000 0.051 0.000 1.130 214 F CB 0.030 39.033 39.000 0.004 0.000 1.129 214 F HN -0.154 8.164 8.300 0.029 0.000 0.500 215 N N 2.190 121.075 118.700 0.308 0.000 2.735 215 N HA -0.352 4.663 4.740 0.143 -0.189 0.248 215 N C -0.095 175.429 175.510 0.023 0.000 1.083 215 N CA 1.063 54.196 53.050 0.140 0.000 0.703 215 N CB -1.294 37.251 38.487 0.096 0.000 1.005 215 N HN 0.603 9.225 8.380 0.403 0.000 0.550 216 G N -7.159 101.620 108.800 -0.035 0.000 2.213 216 G HA2 -0.400 3.466 3.960 -0.156 0.000 0.236 216 G HA3 -0.400 3.399 3.960 -0.267 0.000 0.236 216 G C -1.719 173.117 174.900 -0.106 0.000 0.991 216 G CA 0.074 45.082 45.100 -0.152 0.000 0.629 216 G HN 0.402 8.681 8.290 0.048 0.039 0.517 217 K N -2.319 118.049 120.400 -0.052 0.000 2.587 217 K HA 0.293 4.682 4.320 -0.102 -0.130 0.276 217 K C -1.305 175.261 176.600 -0.057 0.000 0.956 217 K CA -0.796 55.447 56.287 -0.072 0.000 0.857 217 K CB 3.488 35.948 32.500 -0.067 0.000 1.431 217 K HN -0.869 7.375 8.250 -0.011 0.000 0.420 218 V N 2.440 122.314 119.914 -0.067 0.000 2.644 218 V HA -0.413 3.646 4.120 -0.101 0.000 0.305 218 V C 0.958 177.004 176.094 -0.079 0.000 1.053 218 V CA 2.077 64.332 62.300 -0.075 0.000 1.186 218 V CB -0.708 31.091 31.823 -0.040 0.000 0.895 218 V HN 0.206 8.352 8.190 -0.073 0.000 0.490 219 G N 4.499 113.228 108.800 -0.118 0.000 2.168 219 G HA2 -0.381 3.523 3.960 -0.093 0.000 0.263 219 G HA3 -0.381 3.477 3.960 -0.170 0.000 0.263 219 G C 0.083 174.938 174.900 -0.075 0.000 0.977 219 G CA 0.869 45.899 45.100 -0.116 0.000 0.659 219 G HN 0.663 8.859 8.290 -0.156 0.000 0.533 220 A N 0.933 123.728 122.820 -0.042 0.000 1.917 220 A HA -0.221 4.088 4.320 -0.017 0.000 0.219 220 A C 0.338 177.921 177.584 -0.002 0.000 1.182 220 A CA 2.263 54.295 52.037 -0.009 0.000 0.633 220 A CB 0.049 19.063 19.000 0.023 0.000 0.819 220 A HN -0.482 7.591 8.150 -0.043 0.051 0.448 221 L N -2.753 118.473 121.223 0.005 0.000 3.029 221 L HA 0.340 4.833 4.340 -0.000 -0.154 0.231 221 L C -0.951 175.894 176.870 -0.042 0.000 1.327 221 L CA -1.416 53.428 54.840 0.006 0.000 1.166 221 L CB -1.323 40.779 42.059 0.072 0.000 1.532 221 L HN -0.163 8.054 8.230 0.009 0.019 0.473 222 T N -6.177 108.345 114.554 -0.054 0.000 2.865 222 T HA 0.388 4.755 4.350 0.028 0.000 0.294 222 T C 0.391 175.119 174.700 0.046 0.000 1.119 222 T CA -2.443 59.635 62.100 -0.037 0.000 1.007 222 T CB 3.019 71.768 68.868 -0.199 0.000 1.225 222 T HN -0.635 7.502 8.240 -0.038 0.080 0.515 223 G N 1.847 110.716 108.800 0.115 0.000 2.591 223 G HA2 -0.505 3.492 3.960 0.062 0.000 0.298 223 G HA3 -0.505 3.512 3.960 0.096 0.000 0.298 223 G C 0.664 175.601 174.900 0.061 0.000 1.195 223 G CA 1.162 46.311 45.100 0.083 0.000 0.989 223 G HN 0.372 8.783 8.290 0.202 0.000 0.551 224 A N 3.045 125.889 122.820 0.041 0.000 2.070 224 A HA -0.083 4.260 4.320 0.038 0.000 0.220 224 A C 0.697 178.300 177.584 0.032 0.000 1.159 224 A CA 2.231 54.289 52.037 0.035 0.000 0.656 224 A CB -0.231 18.785 19.000 0.028 0.000 0.800 224 A HN 0.461 8.633 8.150 0.037 0.000 0.453 225 N N -2.794 115.922 118.700 0.027 0.000 2.235 225 N HA 0.101 4.852 4.740 0.017 0.000 0.209 225 N C -1.354 174.160 175.510 0.006 0.000 1.122 225 N CA -0.848 52.211 53.050 0.015 0.000 0.845 225 N CB 0.856 39.349 38.487 0.009 0.000 1.004 225 N HN -0.398 7.939 8.380 0.028 0.060 0.499 226 A N -0.334 122.503 122.820 0.029 0.000 2.520 226 A HA -0.136 4.312 4.320 0.039 -0.105 0.235 226 A C 0.191 177.748 177.584 -0.046 0.000 1.065 226 A CA 0.299 52.356 52.037 0.033 0.000 0.764 226 A CB 0.640 19.699 19.000 0.098 0.000 1.002 226 A HN -0.559 7.449 8.150 0.044 0.169 0.502 227 L N 1.642 122.780 121.223 -0.141 0.000 2.473 227 L HA 0.063 4.133 4.340 -0.451 0.000 0.268 227 L C -0.097 176.690 176.870 -0.139 0.000 1.215 227 L CA 0.484 55.106 54.840 -0.363 0.000 0.823 227 L CB 0.136 41.791 42.059 -0.673 0.000 1.099 227 L HN -0.067 8.102 8.230 -0.101 0.000 0.483 228 T N -4.452 110.086 114.554 -0.026 0.000 2.906 228 T HA 0.842 5.371 4.350 -0.015 -0.188 0.295 228 T C -1.155 173.601 174.700 0.092 0.000 1.061 228 T CA -2.018 60.108 62.100 0.043 0.000 1.000 228 T CB 3.158 72.069 68.868 0.071 0.000 1.103 228 T HN -0.229 8.022 8.240 0.019 0.000 0.486 229 A N 0.161 122.944 122.820 -0.063 0.000 2.536 229 A HA 0.435 4.895 4.320 0.023 -0.127 0.293 229 A C -2.535 174.980 177.584 -0.114 0.000 1.119 229 A CA -0.731 51.253 52.037 -0.090 0.000 0.654 229 A CB 2.963 21.815 19.000 -0.248 0.000 1.291 229 A HN 0.220 8.307 8.150 -0.105 0.000 0.439 230 K N -3.021 117.350 120.400 -0.049 0.000 2.385 230 K HA 0.764 5.227 4.320 -0.016 -0.152 0.248 230 K C -0.082 176.551 176.600 0.055 0.000 0.955 230 K CA -2.270 54.017 56.287 -0.001 0.000 0.816 230 K CB 3.054 35.574 32.500 0.033 0.000 1.250 230 K HN -0.122 8.353 8.250 -0.003 -0.228 0.434 231 V N 1.666 121.631 119.914 0.084 0.000 2.644 231 V HA -0.535 3.815 4.120 0.184 -0.119 0.305 231 V C 1.097 177.246 176.094 0.091 0.000 1.053 231 V CA 2.128 64.502 62.300 0.123 0.000 1.186 231 V CB -0.968 30.918 31.823 0.106 0.000 0.895 231 V HN 0.197 8.430 8.190 0.072 0.000 0.490 232 G N 7.592 116.443 108.800 0.086 0.000 2.234 232 G HA2 -0.308 3.678 3.960 0.044 0.000 0.235 232 G HA3 -0.308 3.666 3.960 0.023 0.000 0.235 232 G C -1.209 173.727 174.900 0.061 0.000 0.997 232 G CA -0.344 44.785 45.100 0.049 0.000 0.623 232 G HN 0.583 8.932 8.290 0.100 0.000 0.514 233 E N 3.027 123.292 120.200 0.109 0.000 2.301 233 E HA 0.128 4.678 4.350 0.096 -0.143 0.275 233 E C -0.955 175.728 176.600 0.138 0.000 1.030 233 E CA -0.863 55.613 56.400 0.126 0.000 0.852 233 E CB 1.675 31.461 29.700 0.144 0.000 1.060 233 E HN -0.416 7.949 8.360 0.137 0.077 0.401 234 T N 7.902 122.520 114.554 0.107 0.000 2.767 234 T HA 0.453 5.011 4.350 0.025 -0.193 0.284 234 T C -0.947 173.838 174.700 0.141 0.000 0.973 234 T CA 0.252 62.405 62.100 0.088 0.000 0.996 234 T CB 0.790 69.716 68.868 0.096 0.000 0.927 234 T HN 0.331 8.977 8.240 0.107 -0.341 0.456 235 V N 7.161 127.161 119.914 0.144 0.000 2.581 235 V HA 0.728 5.107 4.120 0.100 -0.199 0.303 235 V C -1.854 174.272 176.094 0.053 0.000 1.041 235 V CA -2.160 60.221 62.300 0.134 0.000 0.907 235 V CB 2.509 34.501 31.823 0.283 0.000 0.994 235 V HN 0.758 9.013 8.190 0.108 0.000 0.442 236 L N 6.579 127.738 121.223 -0.108 0.000 2.272 236 L HA 0.561 5.014 4.340 -0.110 -0.179 0.289 236 L C -2.095 174.714 176.870 -0.101 0.000 1.032 236 L CA -1.479 53.225 54.840 -0.227 0.000 0.810 236 L CB 2.184 43.774 42.059 -0.782 0.000 1.205 236 L HN 0.203 8.342 8.230 -0.150 0.000 0.422 237 L N 7.121 128.345 121.223 0.002 0.000 2.277 237 L HA 0.384 4.860 4.340 0.013 -0.127 0.284 237 L C -0.793 176.137 176.870 0.099 0.000 1.028 237 L CA -1.117 53.741 54.840 0.031 0.000 0.835 237 L CB 0.379 42.430 42.059 -0.012 0.000 1.215 237 L HN 0.684 8.931 8.230 0.029 0.000 0.425 238 I N 4.161 124.762 120.570 0.052 0.000 2.371 238 I HA 0.180 4.572 4.170 0.105 -0.160 0.290 238 I C -1.456 174.718 176.117 0.096 0.000 1.028 238 I CA -0.286 61.055 61.300 0.068 0.000 1.345 238 I CB 1.148 39.144 38.000 -0.005 0.000 1.407 238 I HN 0.369 8.588 8.210 0.015 0.000 0.501 239 H N 9.256 128.359 119.070 0.055 0.000 2.658 239 H HA 0.859 5.612 4.556 -0.034 -0.217 0.337 239 H C -1.261 174.034 175.328 -0.055 0.000 1.009 239 H CA -1.847 54.210 56.048 0.014 0.000 1.231 239 H CB 3.511 33.341 29.762 0.113 0.000 1.508 239 H HN 0.508 8.923 8.280 0.225 0.000 0.517 240 S N 5.894 121.535 115.700 -0.100 0.000 2.501 240 S HA 0.541 5.112 4.470 -0.060 -0.137 0.301 240 S C -1.375 173.121 174.600 -0.173 0.000 1.096 240 S CA -1.613 56.514 58.200 -0.122 0.000 1.063 240 S CB 2.963 66.043 63.200 -0.199 0.000 1.042 240 S HN 0.628 8.774 8.310 -0.274 0.000 0.494 241 Q N 3.896 123.606 119.800 -0.150 0.000 2.483 241 Q HA 0.413 4.563 4.340 -0.315 0.000 0.245 241 Q C -0.986 174.904 176.000 -0.183 0.000 0.902 241 Q CA -0.478 55.206 55.803 -0.199 0.000 0.767 241 Q CB 3.294 31.964 28.738 -0.112 0.000 1.341 241 Q HN -0.023 8.177 8.270 -0.117 0.000 0.453 242 A N 6.251 128.927 122.820 -0.240 0.000 2.208 242 A HA -0.109 4.121 4.320 -0.150 0.000 0.209 242 A C -0.324 177.167 177.584 -0.155 0.000 1.161 242 A CA 2.143 54.064 52.037 -0.193 0.000 0.782 242 A CB 0.138 18.999 19.000 -0.232 0.000 0.816 242 A HN 0.857 8.809 8.150 -0.331 0.000 0.477 243 N N -3.853 114.780 118.700 -0.111 0.000 2.218 243 N HA 0.051 4.754 4.740 -0.062 0.000 0.224 243 N C -0.975 174.527 175.510 -0.015 0.000 1.248 243 N CA 0.271 53.290 53.050 -0.051 0.000 0.875 243 N CB 3.200 41.688 38.487 0.002 0.000 1.165 243 N HN -0.116 8.459 8.380 -0.125 -0.271 0.485 244 R N -0.614 119.867 120.500 -0.032 0.000 2.643 244 R HA 0.139 4.483 4.340 0.007 0.000 0.269 244 R C -1.690 174.568 176.300 -0.070 0.000 1.037 244 R CA -0.989 55.106 56.100 -0.009 0.000 0.894 244 R CB 2.463 32.790 30.300 0.044 0.000 1.238 244 R HN -0.620 7.845 8.270 -0.063 -0.232 0.459 245 D N 3.324 123.677 120.400 -0.078 0.000 2.423 245 D HA 0.250 4.913 4.640 -0.370 -0.244 0.238 245 D C -0.119 176.071 176.300 -0.184 0.000 1.142 245 D CA 1.098 54.963 54.000 -0.225 0.000 0.884 245 D CB 0.644 41.381 40.800 -0.105 0.000 1.199 245 D HN 0.108 8.464 8.370 -0.023 0.000 0.438 246 T N -0.631 113.727 114.554 -0.327 0.000 2.816 246 T HA 0.277 4.572 4.350 -0.091 0.000 0.299 246 T C -2.156 172.399 174.700 -0.241 0.000 1.230 246 T CA -2.002 59.981 62.100 -0.196 0.000 1.007 246 T CB 2.427 71.219 68.868 -0.128 0.000 1.289 246 T HN 0.332 8.250 8.240 -0.537 0.000 0.508 247 R N 1.076 121.479 120.500 -0.162 0.000 2.629 247 R HA 0.898 5.372 4.340 -0.100 -0.194 0.275 247 R C -3.070 173.010 176.300 -0.367 0.000 1.719 247 R CA -3.307 52.717 56.100 -0.127 0.000 1.472 247 R CB 0.147 30.495 30.300 0.081 0.000 1.237 247 R HN 0.289 8.467 8.270 -0.153 0.000 0.589 248 P HA 0.353 4.464 4.420 -0.808 -0.176 0.272 248 P C -1.706 174.867 177.300 -1.212 0.000 1.223 248 P CA -0.217 62.254 63.100 -1.048 0.000 0.784 248 P CB 0.657 31.601 31.700 -1.259 0.000 0.923 249 H N 1.333 119.845 119.070 -0.929 0.000 3.085 249 H HA 0.312 4.450 4.556 -0.697 0.000 0.356 249 H C -2.250 172.970 175.328 -0.180 0.000 1.178 249 H CA -0.495 55.232 56.048 -0.534 0.000 1.214 249 H CB 4.170 33.837 29.762 -0.158 0.000 1.881 249 H HN -0.006 7.823 8.280 -0.752 0.000 0.538 250 L N 6.668 127.694 121.223 -0.329 0.000 2.276 250 L HA 0.492 5.139 4.340 0.264 -0.149 0.286 250 L C -1.624 175.200 176.870 -0.077 0.000 1.024 250 L CA -1.321 53.531 54.840 0.020 0.000 0.826 250 L CB 2.239 44.316 42.059 0.031 0.000 1.211 250 L HN 0.515 8.388 8.230 -0.594 0.000 0.422 251 I N 7.549 128.286 120.570 0.278 0.000 2.517 251 I HA 0.061 4.471 4.170 0.400 0.000 0.285 251 I C 0.651 176.897 176.117 0.215 0.000 1.106 251 I CA 0.686 62.174 61.300 0.312 0.000 1.402 251 I CB -0.391 37.792 38.000 0.305 0.000 1.399 251 I HN 0.465 8.888 8.210 0.354 0.000 0.535 252 G N 4.880 113.752 108.800 0.121 0.000 2.179 252 G HA2 -0.326 3.662 3.960 0.048 0.000 0.260 252 G HA3 -0.326 3.684 3.960 0.085 0.000 0.260 252 G C -0.874 174.134 174.900 0.179 0.000 0.977 252 G CA -0.083 45.078 45.100 0.102 0.000 0.641 252 G HN 0.601 8.966 8.290 0.124 0.000 0.533 253 G N -0.405 108.360 108.800 -0.058 0.000 3.243 253 G HA2 0.365 3.901 3.960 -0.707 0.000 0.248 253 G HA3 0.365 4.239 3.960 -0.143 0.000 0.248 253 G C -3.429 170.912 174.900 -0.932 0.000 1.267 253 G CA -0.682 44.153 45.100 -0.441 0.000 0.906 253 G HN -0.366 7.689 8.290 -0.098 0.176 0.592 254 H N -3.908 114.771 119.070 -0.651 0.000 2.990 254 H HA 0.352 4.921 4.556 -0.125 -0.088 0.336 254 H C -0.332 174.845 175.328 -0.251 0.000 1.306 254 H CA -0.246 55.649 56.048 -0.255 0.000 1.118 254 H CB 3.626 33.338 29.762 -0.084 0.000 1.856 254 H HN -0.126 7.308 8.280 -1.411 0.000 0.538 255 G N -0.435 108.342 108.800 -0.038 0.000 2.457 255 G HA2 0.040 3.475 3.960 -0.875 0.000 0.316 255 G HA3 0.040 3.755 3.960 -0.407 0.000 0.316 255 G C -0.793 173.958 174.900 -0.247 0.000 1.030 255 G CA -0.309 44.536 45.100 -0.425 0.000 1.073 255 G HN 0.260 8.617 8.290 0.111 0.000 0.430 256 D N 6.204 126.532 120.400 -0.121 0.000 2.097 256 D HA -0.145 4.296 4.640 -0.331 0.000 0.195 256 D C -0.264 175.628 176.300 -0.679 0.000 0.989 256 D CA 3.544 57.360 54.000 -0.306 0.000 0.827 256 D CB 0.811 41.500 40.800 -0.185 0.000 0.966 256 D HN -0.096 8.285 8.370 0.017 0.000 0.456 257 W N -4.204 116.960 121.300 -0.226 0.000 2.900 257 W HA 0.376 4.985 4.660 -0.409 -0.195 0.336 257 W C -1.895 174.314 176.519 -0.516 0.000 1.064 257 W CA -0.917 56.188 57.345 -0.400 0.000 1.237 257 W CB 3.898 33.113 29.460 -0.409 0.000 1.391 257 W HN -0.705 7.418 8.180 -0.095 0.000 0.468 258 V N 0.666 120.357 119.914 -0.372 0.000 2.638 258 V HA 0.623 4.740 4.120 -0.254 -0.150 0.306 258 V C -1.494 174.401 176.094 -0.332 0.000 1.052 258 V CA -1.482 60.592 62.300 -0.377 0.000 0.885 258 V CB 3.458 34.943 31.823 -0.562 0.000 0.999 258 V HN 0.914 8.914 8.190 -0.316 0.000 0.424 259 W N 6.441 127.742 121.300 0.001 0.000 2.296 259 W HA 0.365 5.052 4.660 0.044 0.000 0.333 259 W C -0.156 176.363 176.519 -0.001 0.000 0.931 259 W CA -0.891 56.474 57.345 0.033 0.000 1.538 259 W CB -0.497 29.015 29.460 0.086 0.000 1.417 259 W HN 0.641 9.086 8.180 0.440 0.000 0.380 260 E N 1.897 122.198 120.200 0.169 0.000 2.152 260 E HA -0.311 4.179 4.350 0.233 0.000 0.192 260 E C 0.628 177.317 176.600 0.149 0.000 0.983 260 E CA 3.037 59.557 56.400 0.200 0.000 0.818 260 E CB -0.385 29.473 29.700 0.262 0.000 0.758 260 E HN 0.093 8.526 8.360 0.121 0.000 0.467 261 T N -5.226 109.398 114.554 0.116 0.000 3.113 261 T HA -0.053 4.321 4.350 0.041 0.000 0.256 261 T C 0.520 175.190 174.700 -0.051 0.000 1.131 261 T CA 0.824 62.952 62.100 0.046 0.000 1.074 261 T CB -0.463 68.436 68.868 0.051 0.000 0.944 261 T HN -0.126 8.194 8.240 0.133 0.000 0.516 262 G N -0.135 108.641 108.800 -0.039 0.000 2.137 262 G HA2 -0.422 3.566 3.960 -0.318 0.000 0.237 262 G HA3 -0.422 3.514 3.960 -0.195 -0.093 0.237 262 G C -1.791 172.744 174.900 -0.610 0.000 1.002 262 G CA 0.298 45.235 45.100 -0.272 0.000 0.702 262 G HN 0.369 8.546 8.290 0.087 0.165 0.515 263 K N -1.240 118.929 120.400 -0.385 0.000 2.535 263 K HA 0.516 4.526 4.320 -0.703 -0.112 0.253 263 K C -0.877 175.603 176.600 -0.200 0.000 0.953 263 K CA -2.629 53.400 56.287 -0.430 0.000 0.863 263 K CB 0.997 33.366 32.500 -0.218 0.000 1.111 263 K HN -0.443 7.737 8.250 -0.116 0.000 0.431 264 F N 3.137 122.935 119.950 -0.253 0.000 2.604 264 F HA -0.096 4.031 4.527 -0.668 0.000 0.298 264 F C 1.654 177.436 175.800 -0.030 0.000 1.131 264 F CA 1.288 59.066 58.000 -0.369 0.000 1.457 264 F CB -0.532 38.167 39.000 -0.501 0.000 1.095 264 F HN 0.871 8.875 8.300 -0.494 0.000 0.574 265 A N -2.020 120.899 122.820 0.165 0.000 2.167 265 A HA -0.120 4.288 4.320 0.147 0.000 0.214 265 A C 0.036 177.721 177.584 0.167 0.000 1.151 265 A CA 0.595 52.721 52.037 0.148 0.000 0.735 265 A CB -0.470 18.591 19.000 0.102 0.000 0.802 265 A HN -0.059 8.111 8.150 0.107 0.045 0.467 266 N N 0.269 119.101 118.700 0.220 0.000 2.509 266 N HA 0.374 5.200 4.740 0.144 0.000 0.287 266 N C -2.929 172.742 175.510 0.268 0.000 1.121 266 N CA -2.153 51.021 53.050 0.207 0.000 0.977 266 N CB 0.038 38.637 38.487 0.187 0.000 1.167 266 N HN -0.550 7.927 8.380 0.234 0.044 0.476 267 P HA 0.169 4.618 4.420 0.049 0.000 0.271 267 P C -2.068 175.171 177.300 -0.102 0.000 1.216 267 P CA -1.333 61.786 63.100 0.032 0.000 0.776 267 P CB -0.272 31.427 31.700 -0.003 0.000 0.881 268 P HA -0.006 4.047 4.420 -0.760 -0.089 0.276 268 P C -1.176 176.043 177.300 -0.134 0.000 1.252 268 P CA -0.882 61.806 63.100 -0.687 0.000 0.802 268 P CB 1.822 32.687 31.700 -1.392 0.000 1.035 269 Q N -0.364 119.369 119.800 -0.111 0.000 2.214 269 Q HA 0.237 4.609 4.340 0.054 0.000 0.251 269 Q C -0.862 175.078 176.000 -0.100 0.000 0.936 269 Q CA -0.857 54.934 55.803 -0.020 0.000 0.894 269 Q CB 2.623 31.329 28.738 -0.053 0.000 1.252 269 Q HN 0.225 8.360 8.270 -0.225 0.000 0.448 270 R N -0.667 119.669 120.500 -0.274 0.000 2.787 270 R HA 0.446 4.525 4.340 -0.745 -0.185 0.271 270 R C -0.819 175.247 176.300 -0.391 0.000 0.993 270 R CA -1.325 54.382 56.100 -0.656 0.000 0.993 270 R CB 2.304 31.873 30.300 -1.217 0.000 1.155 270 R HN 0.255 8.418 8.270 -0.179 0.000 0.486 271 D N -3.719 116.441 120.400 -0.400 0.000 3.041 271 D HA -0.382 4.089 4.640 -0.281 0.000 0.220 271 D C -0.807 175.449 176.300 -0.073 0.000 1.157 271 D CA 1.538 55.382 54.000 -0.260 0.000 0.876 271 D CB -1.133 39.505 40.800 -0.270 0.000 1.107 271 D HN 0.053 8.120 8.370 -0.505 0.000 0.422 272 L N -1.519 119.679 121.223 -0.042 0.000 2.485 272 L HA -0.070 4.330 4.340 0.099 0.000 0.275 272 L C 1.446 178.482 176.870 0.277 0.000 1.207 272 L CA 0.485 55.394 54.840 0.115 0.000 0.855 272 L CB -0.086 42.055 42.059 0.136 0.000 1.114 272 L HN -0.676 7.438 8.230 -0.138 0.033 0.485 273 E N -0.094 120.265 120.200 0.265 0.000 2.060 273 E HA -0.175 4.275 4.350 0.167 0.000 0.189 273 E C -0.182 176.572 176.600 0.257 0.000 0.974 273 E CA 1.876 58.413 56.400 0.227 0.000 0.808 273 E CB 0.375 30.191 29.700 0.194 0.000 0.768 273 E HN 0.353 8.840 8.360 0.211 0.000 0.453 274 T N -0.406 114.322 114.554 0.290 0.000 2.952 274 T HA 0.565 5.063 4.350 -0.061 -0.185 0.305 274 T C -1.423 173.461 174.700 0.306 0.000 1.064 274 T CA -0.742 61.446 62.100 0.148 0.000 1.008 274 T CB 2.353 71.245 68.868 0.038 0.000 1.078 274 T HN -0.646 7.757 8.240 0.272 0.000 0.459 275 W N 2.344 123.692 121.300 0.079 0.000 3.075 275 W HA 0.361 5.083 4.660 0.103 0.000 0.334 275 W C -3.063 173.557 176.519 0.168 0.000 1.288 275 W CA -2.748 54.657 57.345 0.100 0.000 1.095 275 W CB 1.200 30.705 29.460 0.075 0.000 1.564 275 W HN 0.389 8.344 8.180 -0.375 0.000 0.629 276 F N 0.244 120.314 119.950 0.201 0.000 2.562 276 F HA 0.539 5.211 4.527 -0.021 -0.158 0.319 276 F C -2.018 173.830 175.800 0.080 0.000 1.154 276 F CA -2.053 55.983 58.000 0.059 0.000 0.931 276 F CB 3.461 42.493 39.000 0.054 0.000 1.198 276 F HN -0.259 8.534 8.300 0.536 -0.171 0.444 277 I N 6.820 127.139 120.570 -0.419 0.000 2.306 277 I HA 0.276 4.342 4.170 -0.173 0.000 0.288 277 I C -0.529 175.213 176.117 -0.625 0.000 1.036 277 I CA -2.542 58.551 61.300 -0.344 0.000 1.221 277 I CB 0.062 37.944 38.000 -0.197 0.000 1.385 277 I HN 0.519 8.429 8.210 -0.500 0.000 0.472 278 R N 6.577 126.811 120.500 -0.444 0.000 2.570 278 R HA -0.030 4.143 4.340 -0.511 -0.140 0.277 278 R C 1.144 177.327 176.300 -0.194 0.000 1.039 278 R CA 0.302 56.203 56.100 -0.331 0.000 1.065 278 R CB 0.187 30.449 30.300 -0.063 0.000 0.964 278 R HN 0.363 8.474 8.270 -0.264 0.000 0.428 279 G N 2.182 110.891 108.800 -0.151 0.000 2.305 279 G HA2 -0.347 3.617 3.960 -0.056 0.000 0.243 279 G HA3 -0.347 3.765 3.960 -0.099 -0.212 0.243 279 G C -0.045 174.841 174.900 -0.023 0.000 1.288 279 G CA 0.602 45.655 45.100 -0.079 0.000 0.901 279 G HN 0.034 8.583 8.290 -0.161 -0.356 0.516 280 G N 3.458 112.255 108.800 -0.006 0.000 2.142 280 G HA2 -0.407 3.638 3.960 0.141 0.000 0.225 280 G HA3 -0.407 3.746 3.960 0.123 -0.119 0.225 280 G C -1.289 173.715 174.900 0.173 0.000 1.015 280 G CA -0.099 45.069 45.100 0.114 0.000 0.716 280 G HN 0.125 8.308 8.290 -0.045 0.080 0.508 281 S N -2.708 113.019 115.700 0.044 0.000 2.625 281 S HA 0.364 4.903 4.470 0.115 0.000 0.271 281 S C -2.576 172.005 174.600 -0.032 0.000 1.161 281 S CA -1.170 57.053 58.200 0.038 0.000 0.820 281 S CB 2.453 65.658 63.200 0.008 0.000 1.137 281 S HN -0.626 7.675 8.310 -0.015 0.000 0.470 282 A N -1.604 121.184 122.820 -0.053 0.000 2.386 282 A HA 0.918 5.402 4.320 -0.022 -0.178 0.311 282 A C -1.381 176.164 177.584 -0.066 0.000 1.068 282 A CA -1.580 50.423 52.037 -0.056 0.000 0.743 282 A CB 3.286 22.239 19.000 -0.078 0.000 1.258 282 A HN 0.472 8.584 8.150 -0.063 0.000 0.429 283 G N -0.814 108.005 108.800 0.031 0.000 2.816 283 G HA2 0.919 4.964 3.960 0.142 0.000 0.288 283 G HA3 0.919 4.878 3.960 -0.002 0.000 0.288 283 G C -3.069 171.922 174.900 0.152 0.000 1.334 283 G CA -1.730 43.418 45.100 0.079 0.000 0.978 283 G HN 0.211 8.550 8.290 0.082 0.000 0.493 284 A N -2.977 119.975 122.820 0.220 0.000 2.520 284 A HA 0.973 5.625 4.320 0.225 -0.197 0.298 284 A C -2.882 174.861 177.584 0.265 0.000 1.051 284 A CA -1.019 51.171 52.037 0.255 0.000 0.690 284 A CB 3.675 22.838 19.000 0.273 0.000 1.281 284 A HN -0.265 8.032 8.150 0.244 0.000 0.402 285 A N 1.521 124.430 122.820 0.148 0.000 2.414 285 A HA 1.008 5.439 4.320 -0.078 -0.158 0.306 285 A C -2.319 175.304 177.584 0.065 0.000 1.054 285 A CA -1.918 50.088 52.037 -0.053 0.000 0.724 285 A CB 3.406 22.147 19.000 -0.431 0.000 1.267 285 A HN 0.260 8.512 8.150 0.171 0.000 0.418 286 L N 1.998 123.280 121.223 0.098 0.000 2.322 286 L HA 0.903 5.518 4.340 0.112 -0.208 0.279 286 L C -1.445 175.489 176.870 0.107 0.000 1.036 286 L CA -1.432 53.487 54.840 0.132 0.000 0.807 286 L CB 2.583 44.789 42.059 0.245 0.000 1.226 286 L HN 0.419 8.701 8.230 0.087 0.000 0.433 287 Y N 3.621 123.862 120.300 -0.098 0.000 2.470 287 Y HA 0.321 4.911 4.550 -0.192 -0.156 0.341 287 Y C -2.440 173.307 175.900 -0.254 0.000 1.021 287 Y CA -1.444 56.518 58.100 -0.229 0.000 1.025 287 Y CB 4.652 42.883 38.460 -0.381 0.000 1.266 287 Y HN 0.628 8.967 8.280 0.097 0.000 0.448 288 T N 9.569 123.602 114.554 -0.868 0.000 2.743 288 T HA 0.360 4.679 4.350 -0.379 -0.197 0.292 288 T C -0.682 173.407 174.700 -1.019 0.000 0.972 288 T CA -0.116 61.593 62.100 -0.652 0.000 0.967 288 T CB 0.546 69.220 68.868 -0.323 0.000 0.926 288 T HN 0.057 8.051 8.240 -0.907 -0.299 0.459 289 F N 7.003 126.684 119.950 -0.449 0.000 2.529 289 F HA -0.126 4.228 4.527 -0.289 0.000 0.365 289 F C 0.515 176.232 175.800 -0.139 0.000 1.102 289 F CA 1.615 59.466 58.000 -0.248 0.000 1.271 289 F CB 0.339 39.306 39.000 -0.055 0.000 1.120 289 F HN -0.002 8.212 8.300 -0.142 0.000 0.579 290 K N 1.822 122.299 120.400 0.128 0.000 2.440 290 K HA 0.272 4.612 4.320 0.033 0.000 0.207 290 K C -0.100 176.553 176.600 0.088 0.000 1.112 290 K CA -0.511 55.815 56.287 0.065 0.000 1.036 290 K CB 1.673 34.172 32.500 -0.002 0.000 0.935 290 K HN 0.487 8.874 8.250 0.229 0.000 0.564 291 Q N -2.190 117.757 119.800 0.246 0.000 2.359 291 Q HA 0.540 4.891 4.340 0.019 0.000 0.274 291 Q C -2.807 173.431 176.000 0.397 0.000 1.074 291 Q CA -3.022 52.890 55.803 0.182 0.000 0.810 291 Q CB 2.327 31.112 28.738 0.078 0.000 1.342 291 Q HN -0.756 7.764 8.270 0.417 0.000 0.427 292 P HA -0.106 4.573 4.420 0.296 -0.081 0.278 292 P C -0.174 177.338 177.300 0.352 0.000 1.266 292 P CA -0.749 62.550 63.100 0.331 0.000 0.807 292 P CB 1.060 32.918 31.700 0.262 0.000 1.094 293 G N -2.482 106.467 108.800 0.249 0.000 2.343 293 G HA2 -0.201 3.814 3.960 0.091 0.000 0.465 293 G HA3 -0.201 3.818 3.960 0.098 0.000 0.465 293 G C -2.567 172.419 174.900 0.143 0.000 1.282 293 G CA -0.578 44.603 45.100 0.135 0.000 0.996 293 G HN -0.130 8.295 8.290 0.227 0.000 0.521 294 V N 1.376 121.313 119.914 0.038 0.000 2.348 294 V HA 0.311 4.690 4.120 0.147 -0.171 0.270 294 V C -0.112 176.003 176.094 0.035 0.000 1.037 294 V CA -0.671 61.660 62.300 0.052 0.000 0.872 294 V CB -0.478 31.304 31.823 -0.068 0.000 1.002 294 V HN 0.096 8.279 8.190 -0.012 0.000 0.464 295 Y N 6.519 126.875 120.300 0.093 0.000 2.316 295 Y HA 0.075 4.724 4.550 0.166 0.000 0.324 295 Y C -0.341 175.673 175.900 0.190 0.000 1.267 295 Y CA -0.423 57.779 58.100 0.170 0.000 1.311 295 Y CB 1.824 40.447 38.460 0.272 0.000 1.267 295 Y HN 0.325 8.945 8.280 0.567 0.000 0.516 296 A N 0.302 123.347 122.820 0.375 0.000 2.324 296 A HA 0.530 5.307 4.320 0.478 -0.170 0.330 296 A C -2.261 175.575 177.584 0.421 0.000 1.165 296 A CA -1.997 50.277 52.037 0.395 0.000 0.813 296 A CB 2.626 21.799 19.000 0.289 0.000 1.197 296 A HN 0.627 8.973 8.150 0.327 0.000 0.484 297 Y N 4.745 125.205 120.300 0.267 0.000 2.328 297 Y HA 0.902 5.765 4.550 0.211 -0.187 0.336 297 Y C -2.342 173.736 175.900 0.298 0.000 0.960 297 Y CA -2.153 56.096 58.100 0.248 0.000 1.134 297 Y CB 2.722 41.323 38.460 0.236 0.000 1.166 297 Y HN 0.171 8.733 8.280 0.469 0.000 0.464 298 L N 2.030 123.111 121.223 -0.236 0.000 2.568 298 L HA 0.535 4.945 4.340 -0.024 -0.084 0.257 298 L C -2.508 174.236 176.870 -0.210 0.000 1.024 298 L CA -1.581 53.160 54.840 -0.165 0.000 0.854 298 L CB 3.127 45.020 42.059 -0.277 0.000 1.460 298 L HN 0.507 8.524 8.230 -0.355 0.000 0.409 299 N N -0.371 118.249 118.700 -0.135 0.000 2.431 299 N HA -0.198 4.595 4.740 -0.166 -0.152 0.265 299 N C -0.461 174.968 175.510 -0.135 0.000 1.184 299 N CA -0.032 52.938 53.050 -0.133 0.000 0.943 299 N CB 0.410 38.853 38.487 -0.072 0.000 1.080 299 N HN -0.239 8.055 8.380 -0.145 0.000 0.477 300 H N 6.113 125.084 119.070 -0.165 0.000 2.592 300 H HA -0.031 4.440 4.556 -0.142 0.000 0.291 300 H C -0.180 175.095 175.328 -0.087 0.000 1.052 300 H CA 0.026 55.986 56.048 -0.147 0.000 1.175 300 H CB -0.031 29.597 29.762 -0.224 0.000 1.378 300 H HN 0.110 8.378 8.280 -0.021 0.000 0.576 301 N N 1.805 120.519 118.700 0.023 0.000 2.415 301 N HA -0.010 4.761 4.740 0.052 0.000 0.250 301 N C 0.124 175.612 175.510 -0.038 0.000 1.127 301 N CA -0.814 52.245 53.050 0.016 0.000 0.945 301 N CB -0.215 38.280 38.487 0.014 0.000 1.196 301 N HN -0.268 8.396 8.380 -0.000 -0.284 0.499 302 L N 4.953 126.156 121.223 -0.033 0.000 2.275 302 L HA -0.226 4.107 4.340 -0.011 0.000 0.215 302 L C 1.767 178.689 176.870 0.087 0.000 1.119 302 L CA 2.271 57.121 54.840 0.017 0.000 0.790 302 L CB -0.138 41.919 42.059 -0.004 0.000 0.919 302 L HN 0.414 8.641 8.230 -0.005 0.000 0.443 303 I N -0.310 120.274 120.570 0.024 0.000 2.202 303 I HA -0.592 3.599 4.170 0.035 0.000 0.242 303 I C 1.592 177.698 176.117 -0.019 0.000 1.091 303 I CA 4.195 65.503 61.300 0.014 0.000 1.368 303 I CB -0.488 37.510 38.000 -0.003 0.000 1.058 303 I HN -0.481 7.849 8.210 0.011 -0.113 0.410 304 E N -1.029 119.144 120.200 -0.045 0.000 2.118 304 E HA -0.437 3.866 4.350 -0.079 0.000 0.195 304 E C 2.441 178.948 176.600 -0.155 0.000 0.992 304 E CA 3.198 59.547 56.400 -0.084 0.000 0.804 304 E CB -0.313 29.347 29.700 -0.067 0.000 0.741 304 E HN -0.622 7.989 8.360 -0.033 -0.270 0.458 305 A N -0.334 122.367 122.820 -0.198 0.000 1.832 305 A HA -0.198 3.961 4.320 -0.447 -0.107 0.214 305 A C 2.127 179.470 177.584 -0.401 0.000 1.204 305 A CA 2.950 54.749 52.037 -0.395 0.000 0.606 305 A CB -0.226 18.456 19.000 -0.529 0.000 0.849 305 A HN -0.177 7.874 8.150 -0.146 0.012 0.445 306 F N -4.028 115.831 119.950 -0.152 0.000 2.335 306 F HA -0.133 4.323 4.527 -0.119 0.000 0.296 306 F C 1.875 177.615 175.800 -0.101 0.000 1.091 306 F CA 3.263 61.191 58.000 -0.119 0.000 1.399 306 F CB 0.388 39.327 39.000 -0.102 0.000 1.067 306 F HN -0.185 8.146 8.300 0.051 0.000 0.520 307 E N -1.780 118.458 120.200 0.064 0.000 2.140 307 E HA -0.064 4.297 4.350 0.019 0.000 0.191 307 E C 1.008 177.575 176.600 -0.055 0.000 0.973 307 E CA 1.836 58.239 56.400 0.005 0.000 0.829 307 E CB 0.650 30.347 29.700 -0.005 0.000 0.781 307 E HN -0.394 8.005 8.360 0.066 0.000 0.466 308 L N -5.342 115.829 121.223 -0.087 0.000 2.556 308 L HA 0.239 4.499 4.340 -0.134 0.000 0.226 308 L C 0.051 176.853 176.870 -0.114 0.000 1.089 308 L CA 0.238 55.009 54.840 -0.116 0.000 0.864 308 L CB 1.025 43.017 42.059 -0.113 0.000 1.067 308 L HN -0.470 7.709 8.230 -0.085 0.000 0.477 309 G N -3.183 105.514 108.800 -0.172 0.000 2.227 309 G HA2 -0.252 3.651 3.960 -0.152 0.000 0.168 309 G HA3 -0.252 3.582 3.960 -0.211 0.000 0.168 309 G C -1.215 173.436 174.900 -0.415 0.000 1.006 309 G CA -0.257 44.710 45.100 -0.221 0.000 0.684 309 G HN -0.562 7.613 8.290 -0.192 0.000 0.489 310 A N 1.823 124.338 122.820 -0.508 0.000 3.078 310 A HA 0.342 3.966 4.320 -1.160 0.000 0.279 310 A C -2.515 174.323 177.584 -1.243 0.000 1.594 310 A CA -1.018 50.475 52.037 -0.906 0.000 1.301 310 A CB -1.133 17.601 19.000 -0.442 0.000 1.162 310 A HN -0.395 7.518 8.150 -0.396 0.000 0.585 311 A N 0.632 122.676 122.820 -1.293 0.000 2.566 311 A HA 0.806 4.918 4.320 -0.598 -0.151 0.297 311 A C -2.219 175.115 177.584 -0.417 0.000 1.059 311 A CA -0.277 51.312 52.037 -0.747 0.000 0.691 311 A CB 3.292 21.901 19.000 -0.651 0.000 1.282 311 A HN -0.482 6.892 8.150 -1.214 0.048 0.401 312 G N -0.943 107.867 108.800 0.017 0.000 2.949 312 G HA2 0.856 4.962 3.960 0.243 0.000 0.285 312 G HA3 0.856 4.695 3.960 -0.202 0.000 0.285 312 G C -2.274 172.716 174.900 0.149 0.000 1.395 312 G CA -0.708 44.418 45.100 0.045 0.000 0.901 312 G HN 0.533 8.931 8.290 0.179 0.000 0.519 313 H N -1.457 117.701 119.070 0.147 0.000 2.622 313 H HA 0.790 5.643 4.556 0.179 -0.190 0.363 313 H C -1.038 174.355 175.328 0.109 0.000 1.151 313 H CA -2.262 53.869 56.048 0.139 0.000 1.184 313 H CB 4.781 34.599 29.762 0.093 0.000 1.643 313 H HN 0.334 8.669 8.280 0.091 0.000 0.531 314 I N 0.271 121.010 120.570 0.282 0.000 2.439 314 I HA 0.351 4.754 4.170 0.050 -0.203 0.283 314 I C -1.743 174.449 176.117 0.126 0.000 1.023 314 I CA -1.044 60.333 61.300 0.127 0.000 1.100 314 I CB 1.855 39.904 38.000 0.082 0.000 1.238 314 I HN 0.498 8.917 8.210 0.349 0.000 0.445 315 K N 8.413 128.846 120.400 0.055 0.000 2.262 315 K HA 0.254 4.752 4.320 0.097 -0.119 0.282 315 K C -1.752 174.840 176.600 -0.013 0.000 1.066 315 K CA -0.781 55.539 56.287 0.054 0.000 0.901 315 K CB 1.454 33.983 32.500 0.048 0.000 1.089 315 K HN 0.572 8.842 8.250 0.032 0.000 0.476 316 V N 8.204 128.126 119.914 0.013 0.000 2.444 316 V HA 0.674 4.953 4.120 -0.159 -0.255 0.294 316 V C -0.604 175.512 176.094 0.037 0.000 1.022 316 V CA -2.112 60.141 62.300 -0.077 0.000 0.850 316 V CB 1.874 33.585 31.823 -0.187 0.000 0.992 316 V HN 0.411 8.660 8.190 0.099 0.000 0.426 317 E N 6.860 127.072 120.200 0.020 0.000 2.318 317 E HA 0.297 4.688 4.350 0.069 0.000 0.265 317 E C -0.689 175.956 176.600 0.076 0.000 1.069 317 E CA -1.635 54.797 56.400 0.055 0.000 0.893 317 E CB 1.373 31.098 29.700 0.041 0.000 1.076 317 E HN 0.098 8.451 8.360 -0.013 0.000 0.414 318 G N -0.864 107.992 108.800 0.092 0.000 2.325 318 G HA2 -0.270 3.748 3.960 0.096 0.000 0.285 318 G HA3 -0.270 3.738 3.960 0.080 0.000 0.285 318 G C -2.410 172.566 174.900 0.126 0.000 1.303 318 G CA -0.641 44.517 45.100 0.097 0.000 0.970 318 G HN -0.158 8.188 8.290 0.092 0.000 0.490 319 K N 0.722 121.193 120.400 0.119 0.000 2.211 319 K HA 0.265 4.680 4.320 0.158 0.000 0.275 319 K C 0.001 176.705 176.600 0.174 0.000 1.024 319 K CA -1.194 55.176 56.287 0.139 0.000 0.887 319 K CB 0.754 33.310 32.500 0.093 0.000 1.084 319 K HN -0.044 8.265 8.250 0.098 0.000 0.463 320 W N 6.710 128.044 121.300 0.057 0.000 2.210 320 W HA -0.107 4.719 4.660 0.075 -0.121 0.330 320 W C -1.024 175.528 176.519 0.056 0.000 1.334 320 W CA 0.040 57.421 57.345 0.060 0.000 1.227 320 W CB 0.744 30.232 29.460 0.046 0.000 1.178 320 W HN 0.269 8.670 8.180 0.368 0.000 0.560 321 N N 7.852 126.082 118.700 -0.784 0.000 2.564 321 N HA 0.207 4.819 4.740 -0.214 0.000 0.248 321 N C -0.897 174.299 175.510 -0.524 0.000 0.986 321 N CA -1.364 51.403 53.050 -0.472 0.000 0.921 321 N CB 1.510 39.787 38.487 -0.350 0.000 1.136 321 N HN 0.212 8.108 8.380 -1.350 -0.326 0.509 322 D N 6.104 126.440 120.400 -0.107 0.000 2.310 322 D HA -0.091 4.924 4.640 0.225 -0.240 0.212 322 D C 0.301 176.618 176.300 0.029 0.000 0.965 322 D CA 1.901 55.961 54.000 0.099 0.000 0.879 322 D CB -0.023 40.896 40.800 0.198 0.000 0.921 322 D HN 0.533 8.898 8.370 -0.008 0.000 0.510 323 D N -1.716 118.665 120.400 -0.031 0.000 2.117 323 D HA -0.133 4.510 4.640 0.005 0.000 0.198 323 D C 1.636 177.915 176.300 -0.036 0.000 0.982 323 D CA 1.905 55.892 54.000 -0.021 0.000 0.828 323 D CB 0.243 41.026 40.800 -0.028 0.000 0.967 323 D HN -0.378 8.113 8.370 -0.054 -0.153 0.464 324 L N -2.346 118.819 121.223 -0.098 0.000 2.109 324 L HA -0.210 4.103 4.340 -0.046 0.000 0.207 324 L C 0.581 177.429 176.870 -0.037 0.000 1.086 324 L CA 1.473 56.261 54.840 -0.086 0.000 0.760 324 L CB 1.013 42.980 42.059 -0.152 0.000 0.910 324 L HN -0.712 7.630 8.230 -0.148 -0.201 0.437 325 M N -4.471 115.112 119.600 -0.028 0.000 2.325 325 M HA 0.154 4.717 4.480 0.138 0.000 0.285 325 M C -2.523 173.988 176.300 0.352 0.000 1.119 325 M CA 0.384 55.780 55.300 0.159 0.000 0.959 325 M CB 2.604 35.345 32.600 0.236 0.000 1.737 325 M HN -0.759 7.465 8.290 -0.110 0.000 0.486 326 K N 5.516 126.082 120.400 0.277 0.000 2.501 326 K HA 0.287 4.841 4.320 0.391 0.000 0.252 326 K C -1.445 175.252 176.600 0.161 0.000 0.934 326 K CA -0.615 55.834 56.287 0.270 0.000 0.797 326 K CB 2.250 34.863 32.500 0.187 0.000 1.270 326 K HN 0.059 8.431 8.250 0.205 0.000 0.431 327 Q N 6.237 126.100 119.800 0.106 0.000 2.307 327 Q HA -0.035 4.335 4.340 0.050 0.000 0.261 327 Q C -0.453 175.571 176.000 0.040 0.000 1.051 327 Q CA 0.323 56.152 55.803 0.044 0.000 0.911 327 Q CB -0.552 28.179 28.738 -0.013 0.000 1.227 327 Q HN 0.396 8.728 8.270 0.103 0.000 0.418 328 I N 4.199 124.793 120.570 0.040 0.000 2.333 328 I HA -0.100 4.093 4.170 0.037 0.000 0.246 328 I C 0.049 176.177 176.117 0.019 0.000 1.106 328 I CA 0.532 61.852 61.300 0.033 0.000 1.411 328 I CB 0.441 38.462 38.000 0.034 0.000 1.082 328 I HN 0.293 8.529 8.210 0.043 0.000 0.420 329 K N -0.429 119.979 120.400 0.013 0.000 2.541 329 K HA 0.166 4.488 4.320 0.004 0.000 0.250 329 K C -1.430 175.169 176.600 -0.001 0.000 0.950 329 K CA -0.995 55.295 56.287 0.005 0.000 0.805 329 K CB 2.044 34.547 32.500 0.006 0.000 1.166 329 K HN -0.399 7.860 8.250 0.016 0.000 0.430 330 A N 4.639 127.454 122.820 -0.009 0.000 2.406 330 A HA 0.245 4.553 4.320 -0.020 0.000 0.243 330 A C -1.331 176.244 177.584 -0.014 0.000 1.082 330 A CA -1.081 50.946 52.037 -0.017 0.000 0.786 330 A CB -0.631 18.355 19.000 -0.024 0.000 1.029 330 A HN 0.053 8.198 8.150 -0.009 0.000 0.495 331 P HA -0.152 4.261 4.420 -0.012 0.000 0.262 331 P C -1.504 175.788 177.300 -0.013 0.000 1.182 331 P CA 0.866 63.958 63.100 -0.014 0.000 0.761 331 P CB 0.045 31.734 31.700 -0.018 0.000 0.795 332 A N 3.908 126.722 122.820 -0.010 0.000 2.599 332 A HA 0.204 4.518 4.320 -0.010 0.000 0.290 332 A C -2.851 174.729 177.584 -0.008 0.000 1.101 332 A CA -1.550 50.482 52.037 -0.009 0.000 0.674 332 A CB 0.828 19.823 19.000 -0.008 0.000 1.277 332 A HN -0.295 7.849 8.150 -0.009 0.000 0.419 333 P HA 0.054 4.470 4.420 -0.007 0.000 0.266 333 P C -1.114 176.183 177.300 -0.005 0.000 1.195 333 P CA -0.175 62.921 63.100 -0.006 0.000 0.768 333 P CB 0.495 32.192 31.700 -0.006 0.000 0.838 334 I N 3.065 123.632 120.570 -0.005 0.000 2.741 334 I HA -0.130 4.038 4.170 -0.003 0.000 0.288 334 I C -0.422 175.694 176.117 -0.003 0.000 1.192 334 I CA -0.564 60.734 61.300 -0.004 0.000 1.426 334 I CB -0.360 37.637 38.000 -0.004 0.000 1.367 334 I HN 0.110 8.317 8.210 -0.005 0.000 0.563 335 P HA 0.000 4.419 4.420 -0.001 0.000 0.216 335 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 335 P CB 0.000 31.700 31.700 -0.000 0.000 0.726