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 2ywd_1_A DATA FIRST_RESID 3 DATA SEQUENCE GVVGVLALQG DFREHKEALK RLGIEAKEVR KKEHLEGLKA LIVPGGESTT DATA SEQUENCE IGKLAREYGI EDEVRKRVEE GSLALFGTCA GAIWLAKEIV GYPEQPRLGV DATA SEQUENCE LEAWVERNAF GRQVESFEED LEVEGLGSFH GVFIRAPVFR RLGEGVEVLA DATA SEQUENCE RLGDLPVLVR QGKVLASSFH PELTEDPRLH RYFLELAGV 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 3 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 3 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.901 174.900 0.002 0.000 0.946 3 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 4 V N -0.664 119.253 119.914 0.005 0.000 3.528 4 V HA 0.516 4.635 4.120 -0.001 0.000 0.294 4 V C 0.118 176.220 176.094 0.013 0.000 1.404 4 V CA -0.242 62.060 62.300 0.003 0.000 1.065 4 V CB 0.274 32.091 31.823 -0.010 0.000 0.904 4 V HN 0.547 8.737 8.190 0.000 0.000 0.435 5 V N 1.416 121.348 119.914 0.029 0.000 2.487 5 V HA 0.919 5.038 4.120 -0.001 0.000 0.298 5 V C 0.600 176.735 176.094 0.068 0.000 1.028 5 V CA 0.252 62.589 62.300 0.063 0.000 0.860 5 V CB 1.092 32.966 31.823 0.085 0.000 0.991 5 V HN 0.471 8.661 8.190 0.000 0.000 0.427 6 G N 2.671 111.521 108.800 0.083 0.000 2.569 6 G HA2 0.734 4.693 3.960 -0.001 0.000 0.300 6 G HA3 0.734 4.693 3.960 -0.001 0.000 0.300 6 G C -1.594 173.342 174.900 0.059 0.000 1.269 6 G CA -0.708 44.424 45.100 0.053 0.000 0.959 6 G HN 0.555 8.845 8.290 0.000 0.000 0.478 7 V N 1.040 120.966 119.914 0.019 0.000 2.577 7 V HA 0.315 4.434 4.120 -0.001 0.000 0.303 7 V C -0.322 175.734 176.094 -0.063 0.000 1.042 7 V CA -0.785 61.515 62.300 -0.000 0.000 0.872 7 V CB 1.554 33.427 31.823 0.083 0.000 0.998 7 V HN 0.736 8.926 8.190 0.000 0.000 0.423 8 L N 4.692 125.857 121.223 -0.097 0.000 2.534 8 L HA 0.439 4.778 4.340 -0.001 0.000 0.271 8 L C 0.833 177.598 176.870 -0.175 0.000 1.178 8 L CA 0.866 55.617 54.840 -0.149 0.000 0.907 8 L CB 0.861 42.779 42.059 -0.235 0.000 1.164 8 L HN 0.832 9.062 8.230 0.000 0.000 0.482 9 A N 6.323 128.959 122.820 -0.307 0.000 2.985 9 A HA 0.357 4.676 4.320 -0.001 0.000 0.303 9 A C 0.951 178.325 177.584 -0.349 0.000 1.048 9 A CA -0.382 51.253 52.037 -0.671 0.000 1.016 9 A CB -0.324 17.900 19.000 -1.294 0.000 1.118 9 A HN 0.834 8.984 8.150 0.000 0.000 0.529 10 L N -1.103 120.051 121.223 -0.115 0.000 2.209 10 L HA 0.154 4.493 4.340 -0.001 0.000 0.207 10 L C 1.051 177.959 176.870 0.064 0.000 1.094 10 L CA 0.751 55.591 54.840 0.001 0.000 0.790 10 L CB 0.166 42.237 42.059 0.020 0.000 0.932 10 L HN 0.612 8.842 8.230 0.000 0.000 0.447 11 Q N -0.870 118.992 119.800 0.104 0.000 2.647 11 Q HA 0.422 4.761 4.340 -0.001 0.000 0.283 11 Q C -0.668 175.438 176.000 0.177 0.000 0.943 11 Q CA 0.467 56.355 55.803 0.141 0.000 0.813 11 Q CB 1.991 30.759 28.738 0.050 0.000 1.477 11 Q HN 0.209 8.479 8.270 0.000 0.000 0.393 12 G N 2.422 111.292 108.800 0.117 0.000 2.587 12 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.212 12 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.212 12 G C -1.066 173.781 174.900 -0.088 0.000 1.327 12 G CA -0.100 45.022 45.100 0.037 0.000 0.898 12 G HN 0.607 8.897 8.290 0.000 0.000 0.551 13 D N 1.464 121.810 120.400 -0.090 0.000 3.057 13 D HA 0.336 4.975 4.640 -0.001 0.000 0.246 13 D C 1.574 177.808 176.300 -0.110 0.000 1.238 13 D CA 0.238 54.117 54.000 -0.201 0.000 0.949 13 D CB -0.583 40.133 40.800 -0.140 0.000 1.086 13 D HN 0.425 8.795 8.370 0.000 0.000 0.487 14 F N -0.285 119.692 119.950 0.045 0.000 2.367 14 F HA 0.101 4.627 4.527 -0.001 0.000 0.298 14 F C 2.235 178.080 175.800 0.076 0.000 1.094 14 F CA -0.092 57.956 58.000 0.080 0.000 1.409 14 F CB -0.421 38.596 39.000 0.027 0.000 1.064 14 F HN -0.058 8.242 8.300 0.000 0.000 0.528 15 R N 0.999 121.259 120.500 -0.399 0.000 2.096 15 R HA -0.225 4.114 4.340 -0.001 0.000 0.240 15 R C 1.886 178.155 176.300 -0.052 0.000 1.139 15 R CA 2.361 58.359 56.100 -0.170 0.000 0.952 15 R CB -0.356 29.752 30.300 -0.320 0.000 0.854 15 R HN 0.267 8.537 8.270 0.000 0.000 0.436 16 E N -0.449 119.686 120.200 -0.108 0.000 2.118 16 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 16 E C 1.971 178.521 176.600 -0.082 0.000 0.992 16 E CA 1.328 57.659 56.400 -0.114 0.000 0.804 16 E CB -0.230 29.361 29.700 -0.182 0.000 0.741 16 E HN 0.489 8.849 8.360 0.000 0.000 0.458 17 H N 0.217 119.317 119.070 0.050 0.000 2.395 17 H HA 0.057 4.613 4.556 -0.001 0.000 0.299 17 H C 1.788 177.163 175.328 0.077 0.000 1.070 17 H CA 1.145 57.258 56.048 0.109 0.000 1.356 17 H CB 0.217 30.070 29.762 0.152 0.000 1.401 17 H HN 0.130 8.410 8.280 0.000 0.000 0.524 18 K N 0.801 121.325 120.400 0.205 0.000 2.057 18 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 18 K C 2.101 178.743 176.600 0.071 0.000 1.049 18 K CA 1.268 57.641 56.287 0.142 0.000 0.931 18 K CB 0.034 32.624 32.500 0.149 0.000 0.714 18 K HN 0.406 8.656 8.250 0.000 0.000 0.440 19 E N 0.646 120.867 120.200 0.034 0.000 2.077 19 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 19 E C 2.089 178.671 176.600 -0.030 0.000 0.989 19 E CA 1.023 57.422 56.400 -0.002 0.000 0.800 19 E CB -0.114 29.572 29.700 -0.023 0.000 0.746 19 E HN 0.329 8.689 8.360 0.000 0.000 0.452 20 A N 1.159 123.934 122.820 -0.076 0.000 1.933 20 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 20 A C 2.160 179.647 177.584 -0.162 0.000 1.175 20 A CA 0.989 52.914 52.037 -0.186 0.000 0.628 20 A CB -0.566 18.174 19.000 -0.434 0.000 0.814 20 A HN 0.140 8.290 8.150 0.000 0.000 0.444 21 L N -0.800 120.386 121.223 -0.063 0.000 2.275 21 L HA -0.154 4.185 4.340 -0.001 0.000 0.215 21 L C 2.381 179.275 176.870 0.039 0.000 1.119 21 L CA 1.150 56.013 54.840 0.038 0.000 0.790 21 L CB -0.327 41.808 42.059 0.127 0.000 0.919 21 L HN 0.373 8.603 8.230 0.000 0.000 0.443 22 K N 0.021 120.434 120.400 0.022 0.000 2.147 22 K HA -0.136 4.183 4.320 -0.001 0.000 0.205 22 K C 2.044 178.657 176.600 0.021 0.000 1.049 22 K CA 1.004 57.305 56.287 0.023 0.000 0.936 22 K CB -0.107 32.402 32.500 0.015 0.000 0.722 22 K HN 0.304 8.554 8.250 0.000 0.000 0.446 23 R N 0.593 121.102 120.500 0.014 0.000 2.285 23 R HA -0.020 4.319 4.340 -0.001 0.000 0.213 23 R C 1.485 177.810 176.300 0.041 0.000 1.068 23 R CA 0.673 56.788 56.100 0.023 0.000 1.004 23 R CB -0.072 30.240 30.300 0.020 0.000 0.873 23 R HN 0.210 8.480 8.270 0.000 0.000 0.467 24 L N -0.512 120.741 121.223 0.050 0.000 2.667 24 L HA 0.246 4.585 4.340 -0.001 0.000 0.232 24 L C 0.898 177.798 176.870 0.049 0.000 1.138 24 L CA 0.067 54.945 54.840 0.064 0.000 0.921 24 L CB 0.533 42.649 42.059 0.095 0.000 1.180 24 L HN 0.336 8.566 8.230 0.000 0.000 0.487 25 G N 0.900 109.723 108.800 0.039 0.000 2.143 25 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.248 25 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.248 25 G C 0.176 175.095 174.900 0.032 0.000 0.991 25 G CA -0.174 44.944 45.100 0.030 0.000 0.689 25 G HN 0.193 8.483 8.290 0.000 0.000 0.522 26 I N 0.515 121.110 120.570 0.042 0.000 2.392 26 I HA 0.391 4.560 4.170 -0.001 0.000 0.295 26 I C -0.150 175.993 176.117 0.043 0.000 0.985 26 I CA -0.800 60.527 61.300 0.046 0.000 1.221 26 I CB 1.626 39.666 38.000 0.068 0.000 1.366 26 I HN -0.050 8.160 8.210 0.000 0.000 0.467 27 E N 4.864 125.084 120.200 0.034 0.000 2.070 27 E HA 0.411 4.760 4.350 -0.001 0.000 0.261 27 E C -0.213 176.406 176.600 0.032 0.000 0.926 27 E CA -0.551 55.867 56.400 0.030 0.000 0.760 27 E CB 1.614 31.324 29.700 0.016 0.000 1.133 27 E HN 0.628 8.988 8.360 0.000 0.000 0.420 28 A N 3.415 126.265 122.820 0.050 0.000 2.511 28 A HA 0.116 4.435 4.320 -0.001 0.000 0.242 28 A C 0.484 178.080 177.584 0.019 0.000 1.069 28 A CA -0.114 51.956 52.037 0.055 0.000 0.763 28 A CB 0.233 19.290 19.000 0.094 0.000 1.001 28 A HN 0.289 8.439 8.150 0.000 0.000 0.498 29 K N 2.427 122.825 120.400 -0.002 0.000 2.227 29 K HA 0.252 4.571 4.320 -0.001 0.000 0.280 29 K C -0.394 176.156 176.600 -0.083 0.000 1.041 29 K CA 0.221 56.473 56.287 -0.057 0.000 0.905 29 K CB 0.501 32.963 32.500 -0.065 0.000 1.068 29 K HN 0.671 8.921 8.250 0.000 0.000 0.470 30 E N 2.942 123.056 120.200 -0.144 0.000 2.180 30 E HA 0.133 4.483 4.350 -0.001 0.000 0.283 30 E C -0.758 175.719 176.600 -0.205 0.000 1.061 30 E CA -0.532 55.746 56.400 -0.203 0.000 0.861 30 E CB 1.069 30.614 29.700 -0.257 0.000 1.056 30 E HN 0.297 8.657 8.360 0.000 0.000 0.407 31 V N 5.311 125.155 119.914 -0.117 0.000 2.385 31 V HA 0.182 4.302 4.120 -0.001 0.000 0.269 31 V C 0.992 177.124 176.094 0.063 0.000 1.043 31 V CA -0.042 62.291 62.300 0.055 0.000 0.906 31 V CB 0.834 32.675 31.823 0.029 0.000 0.995 31 V HN 0.716 8.906 8.190 0.000 0.000 0.467 32 R N 2.740 123.412 120.500 0.287 0.000 2.517 32 R HA 0.327 4.666 4.340 -0.001 0.000 0.265 32 R C -0.007 176.173 176.300 -0.199 0.000 0.921 32 R CA -0.106 55.999 56.100 0.009 0.000 1.054 32 R CB 1.001 31.298 30.300 -0.006 0.000 1.340 32 R HN 0.526 8.796 8.270 0.000 0.000 0.551 33 K N 0.456 120.596 120.400 -0.434 0.000 2.435 33 K HA 0.213 4.533 4.320 -0.001 0.000 0.251 33 K C 0.298 176.695 176.600 -0.339 0.000 0.954 33 K CA -0.553 55.411 56.287 -0.538 0.000 0.820 33 K CB 2.197 34.209 32.500 -0.812 0.000 1.292 33 K HN -0.145 8.105 8.250 0.000 0.000 0.436 34 K N 0.331 120.629 120.400 -0.170 0.000 2.152 34 K HA -0.185 4.134 4.320 -0.001 0.000 0.206 34 K C 0.726 177.289 176.600 -0.063 0.000 1.048 34 K CA 1.660 57.910 56.287 -0.061 0.000 0.933 34 K CB 0.030 32.522 32.500 -0.014 0.000 0.721 34 K HN 0.389 8.639 8.250 0.000 0.000 0.447 35 E N 1.135 121.259 120.200 -0.128 0.000 2.204 35 E HA -0.133 4.216 4.350 -0.001 0.000 0.195 35 E C 1.524 178.152 176.600 0.047 0.000 0.990 35 E CA 1.265 57.633 56.400 -0.053 0.000 0.821 35 E CB -0.338 29.320 29.700 -0.070 0.000 0.750 35 E HN 0.615 8.975 8.360 0.000 0.000 0.477 36 H N -0.537 118.519 119.070 -0.023 0.000 2.545 36 H HA 0.019 4.574 4.556 -0.001 0.000 0.282 36 H C 1.506 176.828 175.328 -0.010 0.000 1.020 36 H CA 0.255 56.287 56.048 -0.025 0.000 1.243 36 H CB 0.076 29.811 29.762 -0.045 0.000 1.377 36 H HN 0.120 8.400 8.280 0.000 0.000 0.581 37 L N 0.621 121.911 121.223 0.111 0.000 2.313 37 L HA -0.037 4.303 4.340 -0.001 0.000 0.214 37 L C 1.086 177.992 176.870 0.060 0.000 1.119 37 L CA 0.279 55.165 54.840 0.078 0.000 0.809 37 L CB -0.078 42.021 42.059 0.067 0.000 0.933 37 L HN 0.285 8.515 8.230 0.000 0.000 0.449 38 E N 0.482 120.715 120.200 0.055 0.000 2.415 38 E HA 0.123 4.472 4.350 -0.001 0.000 0.263 38 E C 1.074 177.693 176.600 0.033 0.000 0.995 38 E CA 0.739 57.162 56.400 0.039 0.000 0.915 38 E CB 0.366 30.086 29.700 0.034 0.000 0.951 38 E HN 0.301 8.661 8.360 0.000 0.000 0.449 39 G N 3.800 112.615 108.800 0.024 0.000 2.199 39 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.254 39 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.254 39 G C 0.185 175.094 174.900 0.015 0.000 0.982 39 G CA 0.196 45.305 45.100 0.016 0.000 0.632 39 G HN 0.483 8.773 8.290 0.000 0.000 0.529 40 L N -0.077 121.161 121.223 0.024 0.000 2.395 40 L HA 0.480 4.819 4.340 -0.001 0.000 0.269 40 L C 1.518 178.399 176.870 0.018 0.000 1.133 40 L CA -0.306 54.549 54.840 0.026 0.000 0.812 40 L CB 1.218 43.304 42.059 0.045 0.000 1.125 40 L HN 0.068 8.298 8.230 0.000 0.000 0.452 41 K N 1.579 121.980 120.400 0.002 0.000 2.370 41 K HA 0.359 4.679 4.320 -0.001 0.000 0.194 41 K C -0.046 176.534 176.600 -0.033 0.000 1.070 41 K CA 0.071 56.343 56.287 -0.025 0.000 0.998 41 K CB 1.061 33.527 32.500 -0.056 0.000 0.911 41 K HN 0.666 8.916 8.250 0.000 0.000 0.533 42 A N 1.296 124.117 122.820 0.002 0.000 2.486 42 A HA 0.650 4.969 4.320 -0.001 0.000 0.300 42 A C -2.001 175.706 177.584 0.205 0.000 1.048 42 A CA -0.656 51.421 52.037 0.067 0.000 0.696 42 A CB 1.495 20.399 19.000 -0.160 0.000 1.278 42 A HN 0.082 8.232 8.150 0.000 0.000 0.405 43 L N 2.377 123.799 121.223 0.331 0.000 2.438 43 L HA 0.733 5.072 4.340 -0.001 0.000 0.270 43 L C -1.439 175.542 176.870 0.185 0.000 0.972 43 L CA -0.222 54.748 54.840 0.218 0.000 0.831 43 L CB 1.405 43.555 42.059 0.151 0.000 1.273 43 L HN 0.627 8.857 8.230 0.000 0.000 0.405 44 I N 5.385 125.984 120.570 0.049 0.000 2.359 44 I HA 0.425 4.594 4.170 -0.001 0.000 0.294 44 I C -0.669 175.303 176.117 -0.241 0.000 0.987 44 I CA -0.951 60.234 61.300 -0.192 0.000 1.225 44 I CB 1.881 39.673 38.000 -0.348 0.000 1.366 44 I HN 0.270 8.480 8.210 0.000 0.000 0.466 45 V N 8.601 128.347 119.914 -0.280 0.000 2.328 45 V HA 0.285 4.404 4.120 -0.001 0.000 0.278 45 V C -1.842 174.085 176.094 -0.278 0.000 1.021 45 V CA -1.571 60.576 62.300 -0.255 0.000 0.838 45 V CB 1.016 32.721 31.823 -0.196 0.000 0.999 45 V HN 0.598 8.788 8.190 0.000 0.000 0.447 46 P HA 0.175 4.595 4.420 0.000 0.000 0.274 46 P C 0.336 177.648 177.300 0.020 0.000 1.260 46 P CA 0.069 63.169 63.100 -0.001 0.000 0.793 46 P CB 0.949 32.756 31.700 0.178 0.000 1.048 47 G N -1.699 107.173 108.800 0.121 0.000 2.572 47 G HA2 0.514 4.473 3.960 -0.001 0.000 0.261 47 G HA3 0.514 4.473 3.960 -0.001 0.000 0.261 47 G C 0.152 175.096 174.900 0.073 0.000 1.197 47 G CA 0.134 45.316 45.100 0.136 0.000 0.870 47 G HN 0.832 9.122 8.290 0.000 0.000 0.548 48 G N -0.801 108.030 108.800 0.051 0.000 2.441 48 G HA2 0.240 4.199 3.960 -0.001 0.000 0.222 48 G HA3 0.240 4.199 3.960 -0.001 0.000 0.222 48 G C -1.203 173.697 174.900 -0.000 0.000 1.254 48 G CA -0.457 44.651 45.100 0.013 0.000 0.959 48 G HN 0.652 8.942 8.290 0.000 0.000 0.474 49 E N 1.381 121.573 120.200 -0.013 0.000 2.028 49 E HA 0.430 4.779 4.350 -0.001 0.000 0.266 49 E C 1.715 178.294 176.600 -0.035 0.000 0.962 49 E CA 0.327 56.712 56.400 -0.025 0.000 0.784 49 E CB 1.025 30.711 29.700 -0.023 0.000 1.114 49 E HN 0.613 8.973 8.360 0.000 0.000 0.414 50 S N 2.217 117.895 115.700 -0.036 0.000 2.387 50 S HA -0.251 4.218 4.470 -0.001 0.000 0.230 50 S C 1.833 176.421 174.600 -0.020 0.000 1.035 50 S CA 2.088 60.274 58.200 -0.023 0.000 1.014 50 S CB -0.574 62.615 63.200 -0.018 0.000 0.836 50 S HN 0.560 8.870 8.310 0.000 0.000 0.466 51 T N -1.214 113.305 114.554 -0.058 0.000 2.904 51 T HA -0.051 4.298 4.350 -0.001 0.000 0.267 51 T C 1.845 176.524 174.700 -0.034 0.000 1.059 51 T CA 1.674 63.742 62.100 -0.054 0.000 1.137 51 T CB -1.236 67.578 68.868 -0.090 0.000 0.879 51 T HN 0.435 8.675 8.240 0.000 0.000 0.467 52 T N 1.876 116.406 114.554 -0.041 0.000 2.809 52 T HA 0.230 4.579 4.350 -0.001 0.000 0.260 52 T C 1.917 176.580 174.700 -0.062 0.000 1.039 52 T CA 1.051 63.125 62.100 -0.044 0.000 1.141 52 T CB -0.370 68.479 68.868 -0.032 0.000 0.869 52 T HN 0.350 8.590 8.240 0.000 0.000 0.437 53 I N 1.310 121.835 120.570 -0.076 0.000 2.208 53 I HA -0.149 4.020 4.170 -0.001 0.000 0.245 53 I C 2.828 178.852 176.117 -0.155 0.000 1.097 53 I CA 1.348 62.556 61.300 -0.153 0.000 1.363 53 I CB -0.659 37.208 38.000 -0.222 0.000 1.051 53 I HN 0.324 8.534 8.210 0.000 0.000 0.413 54 G N 0.559 109.353 108.800 -0.009 0.000 2.421 54 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.216 54 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.216 54 G C 1.692 176.642 174.900 0.084 0.000 1.171 54 G CA 0.829 46.043 45.100 0.191 0.000 0.775 54 G HN 0.297 8.587 8.290 0.000 0.000 0.543 55 K N -0.010 120.387 120.400 -0.006 0.000 2.009 55 K HA 0.008 4.328 4.320 -0.001 0.000 0.210 55 K C 2.555 179.061 176.600 -0.158 0.000 1.049 55 K CA 1.092 57.343 56.287 -0.060 0.000 0.929 55 K CB -0.299 32.160 32.500 -0.067 0.000 0.714 55 K HN 0.337 8.587 8.250 0.000 0.000 0.440 56 L N 0.265 121.356 121.223 -0.221 0.000 2.056 56 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 56 L C 2.643 179.247 176.870 -0.443 0.000 1.078 56 L CA 1.107 55.659 54.840 -0.480 0.000 0.749 56 L CB -0.571 41.300 42.059 -0.313 0.000 0.901 56 L HN 0.288 8.518 8.230 0.000 0.000 0.433 57 A N 0.224 122.951 122.820 -0.155 0.000 1.933 57 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 57 A C 2.441 180.058 177.584 0.055 0.000 1.175 57 A CA 1.782 53.813 52.037 -0.009 0.000 0.628 57 A CB -0.521 18.493 19.000 0.024 0.000 0.814 57 A HN 0.369 8.519 8.150 0.000 0.000 0.444 58 R N -0.218 120.299 120.500 0.029 0.000 2.062 58 R HA -0.101 4.238 4.340 -0.001 0.000 0.229 58 R C 2.018 178.297 176.300 -0.035 0.000 1.128 58 R CA 1.577 57.695 56.100 0.030 0.000 0.960 58 R CB -0.320 29.995 30.300 0.025 0.000 0.855 58 R HN 0.618 8.888 8.270 0.000 0.000 0.432 59 E N -0.555 119.552 120.200 -0.155 0.000 2.118 59 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 59 E C 1.194 177.764 176.600 -0.050 0.000 0.992 59 E CA 1.217 57.511 56.400 -0.176 0.000 0.804 59 E CB -0.025 29.466 29.700 -0.349 0.000 0.741 59 E HN 0.459 8.819 8.360 0.000 0.000 0.458 60 Y N -0.554 119.747 120.300 0.001 0.000 2.471 60 Y HA 0.218 4.767 4.550 -0.001 0.000 0.286 60 Y C 1.674 177.568 175.900 -0.010 0.000 1.188 60 Y CA 0.356 58.446 58.100 -0.017 0.000 1.286 60 Y CB 0.041 38.478 38.460 -0.038 0.000 1.072 60 Y HN 0.098 8.378 8.280 0.000 0.000 0.517 61 G N 0.127 109.005 108.800 0.129 0.000 2.162 61 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.260 61 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.260 61 G C 1.192 176.152 174.900 0.100 0.000 0.976 61 G CA 0.722 45.877 45.100 0.091 0.000 0.655 61 G HN 0.473 8.763 8.290 0.000 0.000 0.533 62 I N 0.258 120.906 120.570 0.130 0.000 2.252 62 I HA -0.075 4.094 4.170 -0.001 0.000 0.245 62 I C 2.497 178.733 176.117 0.199 0.000 1.102 62 I CA 1.710 63.093 61.300 0.137 0.000 1.385 62 I CB -0.223 37.850 38.000 0.122 0.000 1.064 62 I HN 0.458 8.668 8.210 0.000 0.000 0.414 63 E N 1.376 121.725 120.200 0.248 0.000 2.049 63 E HA -0.293 4.056 4.350 -0.001 0.000 0.198 63 E C 1.638 178.318 176.600 0.133 0.000 1.007 63 E CA 2.008 58.586 56.400 0.296 0.000 0.809 63 E CB 0.009 29.851 29.700 0.237 0.000 0.749 63 E HN 0.413 8.773 8.360 0.000 0.000 0.450 64 D N 0.130 120.582 120.400 0.086 0.000 2.117 64 D HA -0.181 4.458 4.640 -0.001 0.000 0.197 64 D C 1.945 178.275 176.300 0.050 0.000 0.987 64 D CA 1.232 55.260 54.000 0.046 0.000 0.829 64 D CB -0.312 40.509 40.800 0.036 0.000 0.961 64 D HN 0.223 8.593 8.370 0.000 0.000 0.460 65 E N 0.750 120.991 120.200 0.068 0.000 2.072 65 E HA -0.098 4.252 4.350 -0.001 0.000 0.191 65 E C 2.058 178.703 176.600 0.074 0.000 0.985 65 E CA 0.496 56.933 56.400 0.061 0.000 0.801 65 E CB -0.206 29.530 29.700 0.060 0.000 0.750 65 E HN 0.013 8.373 8.360 0.000 0.000 0.452 66 V N 0.856 120.838 119.914 0.113 0.000 2.343 66 V HA -0.233 3.886 4.120 -0.001 0.000 0.247 66 V C 2.614 178.754 176.094 0.076 0.000 1.051 66 V CA 2.127 64.507 62.300 0.134 0.000 1.036 66 V CB -0.573 31.407 31.823 0.261 0.000 0.654 66 V HN 0.292 8.482 8.190 0.000 0.000 0.451 67 R N 0.383 120.906 120.500 0.039 0.000 2.091 67 R HA -0.242 4.097 4.340 -0.001 0.000 0.238 67 R C 2.434 178.739 176.300 0.009 0.000 1.136 67 R CA 2.213 58.310 56.100 -0.005 0.000 0.959 67 R CB -0.289 29.992 30.300 -0.031 0.000 0.856 67 R HN 0.507 8.777 8.270 0.000 0.000 0.437 68 K N -0.088 120.323 120.400 0.019 0.000 2.026 68 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 68 K C 2.124 178.738 176.600 0.023 0.000 1.048 68 K CA 1.141 57.438 56.287 0.018 0.000 0.929 68 K CB 0.015 32.528 32.500 0.020 0.000 0.713 68 K HN 0.085 8.335 8.250 0.000 0.000 0.439 69 R N 0.520 121.041 120.500 0.035 0.000 2.081 69 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 69 R C 2.349 178.670 176.300 0.035 0.000 1.131 69 R CA 1.107 57.230 56.100 0.038 0.000 0.960 69 R CB -0.847 29.485 30.300 0.053 0.000 0.856 69 R HN 0.149 8.419 8.270 0.000 0.000 0.436 70 V N 1.166 121.104 119.914 0.040 0.000 2.358 70 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 70 V C 2.371 178.477 176.094 0.020 0.000 1.047 70 V CA 1.872 64.194 62.300 0.036 0.000 1.035 70 V CB -0.455 31.391 31.823 0.038 0.000 0.658 70 V HN 0.237 8.427 8.190 0.000 0.000 0.452 71 E N 1.358 121.565 120.200 0.013 0.000 2.118 71 E HA -0.252 4.097 4.350 -0.001 0.000 0.195 71 E C 2.112 178.717 176.600 0.007 0.000 0.992 71 E CA 1.773 58.177 56.400 0.006 0.000 0.804 71 E CB -0.229 29.473 29.700 0.002 0.000 0.741 71 E HN 0.844 9.204 8.360 0.000 0.000 0.458 72 E N -1.239 118.967 120.200 0.010 0.000 2.489 72 E HA 0.074 4.423 4.350 -0.001 0.000 0.193 72 E C 0.978 177.582 176.600 0.006 0.000 1.057 72 E CA 0.520 56.925 56.400 0.007 0.000 0.866 72 E CB -0.038 29.667 29.700 0.009 0.000 0.916 72 E HN 0.243 8.603 8.360 0.000 0.000 0.500 73 G N 1.787 110.592 108.800 0.009 0.000 2.176 73 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.252 73 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.252 73 G C 0.728 175.630 174.900 0.004 0.000 1.024 73 G CA 0.647 45.751 45.100 0.006 0.000 0.755 73 G HN 0.556 8.846 8.290 0.000 0.000 0.507 74 S N -1.685 114.022 115.700 0.011 0.000 2.568 74 S HA 0.663 5.132 4.470 -0.001 0.000 0.232 74 S C 0.068 174.679 174.600 0.017 0.000 0.975 74 S CA 0.299 58.504 58.200 0.009 0.000 0.949 74 S CB 0.817 64.023 63.200 0.011 0.000 0.829 74 S HN 1.354 9.664 8.310 0.000 0.000 0.479 75 L N 1.413 122.654 121.223 0.030 0.000 2.614 75 L HA 0.761 5.101 4.340 -0.001 0.000 0.264 75 L C -0.854 176.064 176.870 0.081 0.000 0.940 75 L CA -0.529 54.343 54.840 0.053 0.000 0.903 75 L CB 1.407 43.511 42.059 0.075 0.000 1.306 75 L HN 0.176 8.406 8.230 0.000 0.000 0.410 76 A N 5.521 128.394 122.820 0.089 0.000 2.304 76 A HA 0.864 5.183 4.320 -0.001 0.000 0.301 76 A C -1.099 176.726 177.584 0.401 0.000 1.132 76 A CA -0.433 51.709 52.037 0.176 0.000 0.819 76 A CB 0.626 19.630 19.000 0.007 0.000 1.094 76 A HN 0.709 8.859 8.150 0.000 0.000 0.492 77 L N 1.551 123.030 121.223 0.426 0.000 2.381 77 L HA 0.598 4.937 4.340 -0.001 0.000 0.268 77 L C -1.232 175.680 176.870 0.070 0.000 0.997 77 L CA -0.517 54.508 54.840 0.308 0.000 0.818 77 L CB 2.055 44.244 42.059 0.217 0.000 1.310 77 L HN 0.708 8.938 8.230 0.000 0.000 0.416 78 F N 1.681 121.320 119.950 -0.517 0.000 2.553 78 F HA 0.713 5.239 4.527 -0.001 0.000 0.335 78 F C -0.097 175.444 175.800 -0.433 0.000 1.148 78 F CA -1.351 56.162 58.000 -0.811 0.000 0.963 78 F CB 1.584 39.517 39.000 -1.777 0.000 1.217 78 F HN 0.345 8.645 8.300 0.000 0.000 0.441 79 G N 2.957 111.715 108.800 -0.070 0.000 2.372 79 G HA2 0.539 4.498 3.960 -0.001 0.000 0.323 79 G HA3 0.539 4.498 3.960 -0.001 0.000 0.323 79 G C -0.988 173.715 174.900 -0.328 0.000 1.152 79 G CA -0.704 44.285 45.100 -0.183 0.000 0.906 79 G HN 0.748 9.038 8.290 0.000 0.000 0.460 80 T N -0.310 113.988 114.554 -0.426 0.000 2.809 80 T HA 0.454 4.803 4.350 -0.001 0.000 0.284 80 T C 0.674 175.181 174.700 -0.322 0.000 0.992 80 T CA -0.009 61.822 62.100 -0.448 0.000 0.957 80 T CB 0.790 69.373 68.868 -0.474 0.000 0.942 80 T HN 1.767 10.007 8.240 0.000 0.000 0.439 81 C N 2.795 121.886 119.300 -0.349 0.000 5.145 81 C HA -0.368 4.091 4.460 -0.001 0.000 0.287 81 C C 2.848 177.769 174.990 -0.114 0.000 2.128 81 C CA 2.373 61.237 59.018 -0.256 0.000 1.936 81 C CB -1.713 25.839 27.740 -0.313 0.000 3.230 81 C HN 1.603 9.833 8.230 0.000 0.000 0.589 82 A N 0.969 123.755 122.820 -0.056 0.000 1.948 82 A HA 0.082 4.401 4.320 -0.001 0.000 0.220 82 A C 2.549 180.137 177.584 0.007 0.000 1.177 82 A CA 3.391 55.416 52.037 -0.020 0.000 0.636 82 A CB -1.500 17.490 19.000 -0.017 0.000 0.815 82 A HN 2.186 10.336 8.150 0.000 0.000 0.449 83 G N -0.816 107.962 108.800 -0.037 0.000 2.422 83 G HA2 0.035 3.994 3.960 -0.001 0.000 0.218 83 G HA3 0.035 3.994 3.960 -0.001 0.000 0.218 83 G C 1.682 176.642 174.900 0.099 0.000 1.146 83 G CA 1.332 46.438 45.100 0.009 0.000 0.769 83 G HN 0.808 9.098 8.290 0.000 0.000 0.547 84 A N 0.667 123.498 122.820 0.018 0.000 1.930 84 A HA 0.125 4.445 4.320 -0.001 0.000 0.217 84 A C 2.369 179.996 177.584 0.073 0.000 1.175 84 A CA 1.061 53.141 52.037 0.070 0.000 0.627 84 A CB -0.286 18.726 19.000 0.019 0.000 0.815 84 A HN 0.364 8.514 8.150 0.000 0.000 0.443 85 I N -2.540 118.048 120.570 0.030 0.000 2.226 85 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 85 I C 2.380 178.558 176.117 0.103 0.000 1.100 85 I CA 1.453 62.771 61.300 0.030 0.000 1.374 85 I CB -0.321 37.682 38.000 0.006 0.000 1.057 85 I HN 0.672 8.882 8.210 0.000 0.000 0.413 86 W N 1.585 122.860 121.300 -0.043 0.000 2.342 86 W HA -0.188 4.472 4.660 -0.001 0.000 0.297 86 W C 2.112 178.625 176.519 -0.010 0.000 1.213 86 W CA 1.453 58.779 57.345 -0.032 0.000 1.251 86 W CB -0.232 29.207 29.460 -0.035 0.000 1.136 86 W HN 0.020 8.200 8.180 0.000 0.000 0.526 87 L N 0.578 121.842 121.223 0.068 0.000 2.240 87 L HA 0.078 4.417 4.340 -0.001 0.000 0.211 87 L C 1.766 178.593 176.870 -0.071 0.000 1.106 87 L CA 0.297 55.096 54.840 -0.067 0.000 0.793 87 L CB -1.465 40.643 42.059 0.082 0.000 0.927 87 L HN -0.089 8.141 8.230 0.000 0.000 0.446 88 A N 0.450 123.269 122.820 -0.002 0.000 2.546 88 A HA -0.058 4.261 4.320 -0.001 0.000 0.243 88 A C 1.431 178.988 177.584 -0.046 0.000 1.063 88 A CA 0.105 52.157 52.037 0.024 0.000 0.757 88 A CB 0.227 19.261 19.000 0.056 0.000 0.991 88 A HN 0.259 8.409 8.150 0.000 0.000 0.503 89 K N 0.870 121.260 120.400 -0.017 0.000 2.148 89 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 89 K C -0.134 176.399 176.600 -0.111 0.000 1.050 89 K CA 1.318 57.573 56.287 -0.052 0.000 0.942 89 K CB 0.101 32.604 32.500 0.005 0.000 0.724 89 K HN 0.747 8.997 8.250 0.000 0.000 0.446 90 E N 0.532 120.642 120.200 -0.149 0.000 2.256 90 E HA 0.272 4.621 4.350 -0.001 0.000 0.268 90 E C -1.050 175.407 176.600 -0.238 0.000 0.877 90 E CA -0.523 55.675 56.400 -0.336 0.000 0.757 90 E CB 2.020 31.199 29.700 -0.869 0.000 1.183 90 E HN 0.152 8.512 8.360 0.000 0.000 0.418 91 I N 2.408 122.869 120.570 -0.182 0.000 2.354 91 I HA 0.178 4.347 4.170 -0.001 0.000 0.286 91 I C 0.086 176.164 176.117 -0.065 0.000 1.007 91 I CA -1.070 60.195 61.300 -0.059 0.000 1.167 91 I CB 1.586 39.599 38.000 0.022 0.000 1.320 91 I HN 0.117 8.327 8.210 0.000 0.000 0.458 92 V N 6.589 126.475 119.914 -0.046 0.000 2.539 92 V HA 0.070 4.190 4.120 -0.001 0.000 0.300 92 V C 1.411 177.483 176.094 -0.036 0.000 1.019 92 V CA 1.437 63.707 62.300 -0.049 0.000 1.160 92 V CB -0.051 31.804 31.823 0.053 0.000 0.901 92 V HN 1.187 9.377 8.190 0.000 0.000 0.481 93 G N 4.386 113.088 108.800 -0.164 0.000 2.199 93 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.254 93 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.254 93 G C -0.084 174.421 174.900 -0.658 0.000 0.982 93 G CA 0.373 45.248 45.100 -0.375 0.000 0.632 93 G HN 0.796 9.086 8.290 0.000 0.000 0.529 94 Y N 0.373 120.627 120.300 -0.076 0.000 2.477 94 Y HA 0.362 4.911 4.550 -0.001 0.000 0.340 94 Y C -1.123 174.723 175.900 -0.091 0.000 0.987 94 Y CA -1.265 56.796 58.100 -0.066 0.000 1.127 94 Y CB 1.237 39.669 38.460 -0.047 0.000 1.139 94 Y HN 0.112 8.392 8.280 0.000 0.000 0.637 95 P HA -0.183 4.237 4.420 0.000 0.000 0.219 95 P C 0.574 177.851 177.300 -0.038 0.000 1.146 95 P CA 1.613 64.668 63.100 -0.075 0.000 0.808 95 P CB 0.630 32.268 31.700 -0.104 0.000 0.779 96 E N -0.530 119.670 120.200 -0.000 0.000 2.463 96 E HA 0.054 4.403 4.350 -0.001 0.000 0.193 96 E C 0.836 177.448 176.600 0.020 0.000 1.041 96 E CA -0.163 56.238 56.400 0.002 0.000 0.879 96 E CB -0.226 29.476 29.700 0.004 0.000 0.997 96 E HN 0.466 8.826 8.360 0.000 0.000 0.478 97 Q N 2.230 122.055 119.800 0.043 0.000 2.289 97 Q HA 0.072 4.411 4.340 -0.001 0.000 0.273 97 Q C -2.308 173.698 176.000 0.009 0.000 1.029 97 Q CA -1.697 54.124 55.803 0.031 0.000 0.896 97 Q CB 0.610 29.363 28.738 0.026 0.000 1.182 97 Q HN -0.173 8.097 8.270 0.000 0.000 0.385 98 P HA -0.048 4.372 4.420 0.000 0.000 0.263 98 P C -1.316 176.022 177.300 0.063 0.000 1.195 98 P CA 0.578 63.698 63.100 0.033 0.000 0.762 98 P CB 0.369 32.097 31.700 0.047 0.000 0.799 99 R N 1.920 122.397 120.500 -0.039 0.000 2.741 99 R HA 0.339 4.678 4.340 -0.001 0.000 0.276 99 R C -0.429 175.543 176.300 -0.546 0.000 1.028 99 R CA -0.896 55.040 56.100 -0.274 0.000 0.865 99 R CB 0.016 30.188 30.300 -0.212 0.000 1.268 99 R HN 0.150 8.420 8.270 0.000 0.000 0.475 100 L N 1.063 121.571 121.223 -1.192 0.000 2.023 100 L HA 0.280 4.619 4.340 -0.001 0.000 0.205 100 L C 1.275 177.851 176.870 -0.489 0.000 1.073 100 L CA 2.874 57.143 54.840 -0.952 0.000 0.745 100 L CB -0.739 40.425 42.059 -1.490 0.000 0.900 100 L HN 1.170 9.400 8.230 0.000 0.000 0.435 101 G N -1.109 107.437 108.800 -0.423 0.000 2.198 101 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.260 101 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.260 101 G C 0.914 175.726 174.900 -0.147 0.000 1.025 101 G CA 0.589 45.556 45.100 -0.221 0.000 0.769 101 G HN 0.567 8.857 8.290 0.000 0.000 0.507 102 V N -0.801 119.020 119.914 -0.155 0.000 2.878 102 V HA 0.391 4.511 4.120 -0.001 0.000 0.250 102 V C 1.432 177.508 176.094 -0.030 0.000 1.075 102 V CA 1.298 63.548 62.300 -0.083 0.000 1.096 102 V CB -0.006 31.770 31.823 -0.080 0.000 0.724 102 V HN 0.644 8.834 8.190 0.000 0.000 0.467 103 L N 1.727 122.941 121.223 -0.015 0.000 2.361 103 L HA 0.325 4.665 4.340 -0.001 0.000 0.278 103 L C 0.388 177.293 176.870 0.058 0.000 1.113 103 L CA 0.307 55.166 54.840 0.033 0.000 0.849 103 L CB 0.418 42.519 42.059 0.069 0.000 1.155 103 L HN 0.181 8.411 8.230 0.000 0.000 0.452 104 E N 5.884 126.121 120.200 0.062 0.000 1.774 104 E HA 0.403 4.752 4.350 -0.001 0.000 0.265 104 E C -0.500 176.185 176.600 0.141 0.000 1.207 104 E CA 0.147 56.602 56.400 0.093 0.000 1.054 104 E CB 0.005 29.744 29.700 0.064 0.000 1.074 104 E HN 0.646 9.006 8.360 0.000 0.000 0.433 105 A N 2.168 125.117 122.820 0.215 0.000 2.604 105 A HA 0.549 4.868 4.320 -0.001 0.000 0.295 105 A C -1.790 176.054 177.584 0.434 0.000 1.067 105 A CA -0.847 51.374 52.037 0.307 0.000 0.683 105 A CB 0.959 20.144 19.000 0.308 0.000 1.281 105 A HN 0.294 8.444 8.150 0.000 0.000 0.407 106 W N 1.326 122.692 121.300 0.110 0.000 2.329 106 W HA 0.591 5.250 4.660 -0.001 0.000 0.312 106 W C -0.645 175.927 176.519 0.089 0.000 1.054 106 W CA -0.610 56.781 57.345 0.077 0.000 1.245 106 W CB 1.829 31.321 29.460 0.054 0.000 1.255 106 W HN 0.452 8.632 8.180 0.000 0.000 0.436 107 V N 3.149 123.175 119.914 0.187 0.000 2.495 107 V HA 0.351 4.471 4.120 -0.001 0.000 0.298 107 V C -0.344 175.773 176.094 0.039 0.000 1.031 107 V CA -1.275 61.061 62.300 0.061 0.000 0.871 107 V CB 1.905 33.693 31.823 -0.057 0.000 0.988 107 V HN 0.411 8.601 8.190 0.000 0.000 0.432 108 E N 3.818 124.031 120.200 0.022 0.000 2.158 108 E HA 0.456 4.806 4.350 -0.001 0.000 0.271 108 E C -0.373 176.243 176.600 0.026 0.000 0.911 108 E CA -0.805 55.623 56.400 0.047 0.000 0.767 108 E CB 1.137 30.869 29.700 0.054 0.000 1.120 108 E HN 0.542 8.902 8.360 0.000 0.000 0.405 109 R N 2.843 123.378 120.500 0.060 0.000 2.590 109 R HA -0.003 4.336 4.340 -0.001 0.000 0.274 109 R C 0.268 176.614 176.300 0.076 0.000 1.061 109 R CA -0.121 56.004 56.100 0.042 0.000 1.081 109 R CB 0.103 30.409 30.300 0.009 0.000 0.984 109 R HN 0.579 8.849 8.270 0.000 0.000 0.448 110 N N 1.434 120.190 118.700 0.093 0.000 2.722 110 N HA -0.262 4.477 4.740 -0.001 0.000 0.274 110 N C -0.753 174.846 175.510 0.147 0.000 0.987 110 N CA 0.996 54.133 53.050 0.145 0.000 0.817 110 N CB -0.379 38.176 38.487 0.114 0.000 0.921 110 N HN 0.729 9.109 8.380 0.000 0.000 0.565 111 A N 0.693 123.594 122.820 0.135 0.000 2.564 111 A HA 0.336 4.656 4.320 -0.001 0.000 0.279 111 A C 1.122 178.723 177.584 0.029 0.000 1.232 111 A CA -0.454 51.622 52.037 0.064 0.000 0.950 111 A CB -0.253 18.747 19.000 0.000 0.000 1.138 111 A HN 0.370 8.520 8.150 0.000 0.000 0.526 112 F N 0.286 120.295 119.950 0.099 0.000 2.502 112 F HA 0.168 4.695 4.527 -0.001 0.000 0.298 112 F C 2.033 177.847 175.800 0.024 0.000 1.111 112 F CA 1.499 59.546 58.000 0.078 0.000 1.445 112 F CB 0.215 39.310 39.000 0.159 0.000 1.081 112 F HN 0.451 8.751 8.300 0.000 0.000 0.558 113 G N 0.968 109.883 108.800 0.191 0.000 2.160 113 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.251 113 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.251 113 G C 0.319 175.271 174.900 0.088 0.000 1.008 113 G CA -0.211 44.953 45.100 0.107 0.000 0.724 113 G HN 0.332 8.622 8.290 0.000 0.000 0.514 114 R N -0.484 120.084 120.500 0.114 0.000 2.428 114 R HA 0.450 4.789 4.340 -0.001 0.000 0.294 114 R C 1.405 177.746 176.300 0.069 0.000 1.000 114 R CA -0.428 55.705 56.100 0.054 0.000 0.960 114 R CB 0.917 31.219 30.300 0.004 0.000 1.076 114 R HN 0.317 8.587 8.270 0.000 0.000 0.475 115 Q N 0.916 120.741 119.800 0.043 0.000 2.030 115 Q HA -0.093 4.246 4.340 -0.001 0.000 0.204 115 Q C 0.105 176.140 176.000 0.058 0.000 0.986 115 Q CA 1.230 57.059 55.803 0.044 0.000 0.843 115 Q CB 0.254 29.009 28.738 0.028 0.000 0.904 115 Q HN 0.343 8.613 8.270 0.000 0.000 0.420 116 V N 2.196 122.147 119.914 0.062 0.000 2.455 116 V HA 0.013 4.132 4.120 -0.001 0.000 0.273 116 V C 0.183 176.348 176.094 0.119 0.000 1.045 116 V CA 0.335 62.680 62.300 0.076 0.000 0.976 116 V CB 1.178 33.043 31.823 0.071 0.000 0.993 116 V HN 0.292 8.482 8.190 0.000 0.000 0.475 117 E N 3.081 123.347 120.200 0.111 0.000 2.322 117 E HA 0.107 4.456 4.350 -0.001 0.000 0.195 117 E C 0.199 176.875 176.600 0.128 0.000 1.198 117 E CA -0.015 56.468 56.400 0.139 0.000 1.132 117 E CB 0.125 29.889 29.700 0.106 0.000 1.213 117 E HN 0.782 9.142 8.360 0.000 0.000 0.450 118 S N 0.360 116.151 115.700 0.153 0.000 2.562 118 S HA 0.633 5.103 4.470 -0.001 0.000 0.274 118 S C -0.731 173.971 174.600 0.171 0.000 1.160 118 S CA -1.124 57.117 58.200 0.069 0.000 0.933 118 S CB 0.668 63.885 63.200 0.027 0.000 1.100 118 S HN 0.233 8.543 8.310 0.000 0.000 0.468 119 F N -0.819 119.143 119.950 0.020 0.000 2.713 119 F HA 0.946 5.472 4.527 -0.001 0.000 0.311 119 F C -1.422 174.419 175.800 0.069 0.000 1.141 119 F CA -1.052 56.944 58.000 -0.007 0.000 0.939 119 F CB 0.831 39.762 39.000 -0.115 0.000 1.325 119 F HN 0.477 8.777 8.300 0.000 0.000 0.453 120 E N 0.367 120.707 120.200 0.234 0.000 2.293 120 E HA 0.613 4.963 4.350 -0.001 0.000 0.270 120 E C -1.459 175.237 176.600 0.160 0.000 0.879 120 E CA -0.899 55.569 56.400 0.112 0.000 0.756 120 E CB 2.237 31.967 29.700 0.050 0.000 1.208 120 E HN 0.480 8.840 8.360 0.000 0.000 0.428 121 E N 1.298 121.553 120.200 0.092 0.000 2.331 121 E HA 0.272 4.621 4.350 -0.001 0.000 0.275 121 E C -1.121 175.500 176.600 0.034 0.000 0.895 121 E CA -0.770 55.692 56.400 0.103 0.000 0.753 121 E CB 1.938 31.724 29.700 0.143 0.000 1.216 121 E HN 0.400 8.760 8.360 0.000 0.000 0.434 122 D N 2.485 122.933 120.400 0.080 0.000 2.312 122 D HA 0.311 4.950 4.640 -0.001 0.000 0.252 122 D C -0.059 176.276 176.300 0.058 0.000 1.150 122 D CA 0.069 54.119 54.000 0.083 0.000 0.870 122 D CB 0.996 41.855 40.800 0.098 0.000 1.153 122 D HN 0.203 8.573 8.370 0.000 0.000 0.457 123 L N 1.704 122.954 121.223 0.044 0.000 2.333 123 L HA 0.354 4.693 4.340 -0.001 0.000 0.269 123 L C 0.396 177.306 176.870 0.066 0.000 1.010 123 L CA -0.976 53.890 54.840 0.044 0.000 0.818 123 L CB 1.835 43.877 42.059 -0.028 0.000 1.306 123 L HN 0.031 8.261 8.230 0.000 0.000 0.430 124 E N 2.186 122.420 120.200 0.057 0.000 2.081 124 E HA 0.327 4.676 4.350 -0.001 0.000 0.276 124 E C -1.034 175.587 176.600 0.036 0.000 0.950 124 E CA -0.353 56.077 56.400 0.050 0.000 0.776 124 E CB 1.972 31.696 29.700 0.040 0.000 1.094 124 E HN 0.185 8.545 8.360 0.000 0.000 0.402 125 V N 3.210 123.138 119.914 0.024 0.000 2.394 125 V HA 0.111 4.231 4.120 -0.001 0.000 0.282 125 V C 0.664 176.721 176.094 -0.062 0.000 1.031 125 V CA -0.778 61.501 62.300 -0.035 0.000 0.881 125 V CB 1.390 33.161 31.823 -0.086 0.000 0.982 125 V HN 0.579 8.769 8.190 0.000 0.000 0.451 126 E N 3.480 123.636 120.200 -0.072 0.000 2.480 126 E HA 0.249 4.598 4.350 -0.001 0.000 0.258 126 E C 1.362 177.913 176.600 -0.083 0.000 0.984 126 E CA 1.039 57.406 56.400 -0.055 0.000 0.930 126 E CB 0.250 29.928 29.700 -0.037 0.000 0.936 126 E HN 1.009 9.369 8.360 0.000 0.000 0.466 127 G N 3.763 112.547 108.800 -0.027 0.000 2.396 127 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.242 127 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.242 127 G C 0.644 175.543 174.900 -0.001 0.000 1.069 127 G CA 0.436 45.538 45.100 0.003 0.000 0.633 127 G HN 0.553 8.843 8.290 0.000 0.000 0.517 128 L N 0.800 121.986 121.223 -0.061 0.000 2.130 128 L HA 0.606 4.945 4.340 -0.001 0.000 0.200 128 L C 1.795 178.688 176.870 0.037 0.000 1.075 128 L CA 3.100 57.927 54.840 -0.022 0.000 0.768 128 L CB -0.320 41.675 42.059 -0.108 0.000 0.933 128 L HN 1.919 10.149 8.230 0.000 0.000 0.451 129 G N -1.454 107.366 108.800 0.033 0.000 2.342 129 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.220 129 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.220 129 G C -0.926 174.029 174.900 0.091 0.000 1.243 129 G CA -0.149 44.986 45.100 0.059 0.000 1.083 129 G HN 0.356 8.646 8.290 0.000 0.000 0.500 130 S N -0.379 115.378 115.700 0.095 0.000 2.531 130 S HA 0.622 5.091 4.470 -0.001 0.000 0.279 130 S C -0.693 174.014 174.600 0.179 0.000 1.305 130 S CA 0.091 58.355 58.200 0.108 0.000 1.058 130 S CB 0.029 63.269 63.200 0.066 0.000 0.899 130 S HN 1.361 9.671 8.310 0.000 0.000 0.493 131 F N 4.163 124.119 119.950 0.011 0.000 2.569 131 F HA 0.351 4.878 4.527 -0.001 0.000 0.312 131 F C -0.452 175.347 175.800 -0.001 0.000 1.109 131 F CA -0.897 57.115 58.000 0.020 0.000 0.919 131 F CB 1.425 40.429 39.000 0.006 0.000 1.211 131 F HN 0.754 9.054 8.300 0.000 0.000 0.446 132 H N 3.632 122.383 119.070 -0.531 0.000 2.944 132 H HA 0.446 5.001 4.556 -0.001 0.000 0.278 132 H C 0.110 175.310 175.328 -0.214 0.000 1.083 132 H CA 0.138 56.002 56.048 -0.308 0.000 1.479 132 H CB 0.618 30.192 29.762 -0.313 0.000 1.486 132 H HN 0.745 9.025 8.280 0.000 0.000 0.493 133 G N 4.515 113.030 108.800 -0.476 0.000 2.320 133 G HA2 0.431 4.390 3.960 -0.001 0.000 0.300 133 G HA3 0.431 4.390 3.960 -0.001 0.000 0.300 133 G C -0.921 173.698 174.900 -0.468 0.000 1.126 133 G CA -0.576 44.194 45.100 -0.549 0.000 0.896 133 G HN 0.564 8.854 8.290 0.000 0.000 0.436 134 V N 3.442 123.145 119.914 -0.352 0.000 2.347 134 V HA 0.414 4.534 4.120 -0.001 0.000 0.280 134 V C -0.679 175.240 176.094 -0.291 0.000 1.021 134 V CA -0.492 61.682 62.300 -0.209 0.000 0.847 134 V CB 0.424 32.218 31.823 -0.048 0.000 0.990 134 V HN 0.567 8.757 8.190 0.000 0.000 0.444 135 F N 5.452 125.177 119.950 -0.375 0.000 2.458 135 F HA 0.673 5.200 4.527 -0.001 0.000 0.336 135 F C 0.138 175.672 175.800 -0.443 0.000 1.114 135 F CA -0.605 57.065 58.000 -0.550 0.000 0.987 135 F CB 1.591 39.682 39.000 -1.516 0.000 1.130 135 F HN 0.243 8.543 8.300 0.000 0.000 0.458 136 I N 3.741 124.314 120.570 0.004 0.000 2.497 136 I HA 0.323 4.492 4.170 -0.001 0.000 0.284 136 I C -0.170 176.001 176.117 0.089 0.000 1.060 136 I CA -0.849 60.460 61.300 0.015 0.000 1.071 136 I CB 1.663 39.649 38.000 -0.023 0.000 1.216 136 I HN 0.620 8.830 8.210 0.000 0.000 0.442 137 R N 2.709 123.267 120.500 0.097 0.000 3.516 137 R HA -0.202 4.137 4.340 -0.001 0.000 0.271 137 R C 0.374 176.786 176.300 0.188 0.000 1.098 137 R CA 0.507 56.691 56.100 0.141 0.000 0.732 137 R CB -1.338 29.020 30.300 0.097 0.000 1.152 137 R HN 0.728 8.998 8.270 0.000 0.000 0.455 138 A N 1.712 124.677 122.820 0.242 0.000 2.565 138 A HA 0.231 4.550 4.320 -0.001 0.000 0.237 138 A C -1.313 176.512 177.584 0.403 0.000 1.053 138 A CA -0.570 51.672 52.037 0.343 0.000 0.755 138 A CB 0.076 19.368 19.000 0.487 0.000 0.980 138 A HN 0.140 8.290 8.150 0.000 0.000 0.506 139 P HA 0.411 4.831 4.420 0.000 0.000 0.278 139 P C -0.840 176.464 177.300 0.008 0.000 1.266 139 P CA -0.328 62.803 63.100 0.052 0.000 0.807 139 P CB 1.128 32.771 31.700 -0.095 0.000 1.094 140 V N 1.349 121.187 119.914 -0.128 0.000 2.540 140 V HA 0.281 4.400 4.120 -0.001 0.000 0.302 140 V C -0.165 175.842 176.094 -0.145 0.000 1.035 140 V CA -0.490 61.700 62.300 -0.183 0.000 0.873 140 V CB 1.094 32.756 31.823 -0.268 0.000 0.992 140 V HN 0.315 8.505 8.190 0.000 0.000 0.428 141 F N 5.124 125.111 119.950 0.061 0.000 2.439 141 F HA 0.398 4.924 4.527 -0.001 0.000 0.356 141 F C 1.541 177.376 175.800 0.058 0.000 1.161 141 F CA -0.286 57.764 58.000 0.083 0.000 1.151 141 F CB 0.600 39.656 39.000 0.094 0.000 1.222 141 F HN 0.414 8.714 8.300 0.000 0.000 0.558 142 R N 2.167 122.805 120.500 0.229 0.000 2.062 142 R HA 0.149 4.488 4.340 -0.001 0.000 0.226 142 R C 0.431 176.788 176.300 0.095 0.000 1.125 142 R CA 0.883 57.073 56.100 0.151 0.000 0.966 142 R CB 0.021 30.434 30.300 0.187 0.000 0.861 142 R HN 0.483 8.753 8.270 0.000 0.000 0.433 143 R N -0.067 120.505 120.500 0.120 0.000 2.725 143 R HA 0.547 4.886 4.340 -0.001 0.000 0.277 143 R C -0.860 175.467 176.300 0.045 0.000 0.987 143 R CA -0.687 55.387 56.100 -0.044 0.000 0.901 143 R CB 2.147 32.215 30.300 -0.386 0.000 1.207 143 R HN -0.074 8.196 8.270 0.000 0.000 0.463 144 L N 0.627 121.843 121.223 -0.011 0.000 2.381 144 L HA 0.539 4.879 4.340 -0.001 0.000 0.268 144 L C 0.695 177.556 176.870 -0.014 0.000 0.997 144 L CA -1.045 53.802 54.840 0.012 0.000 0.818 144 L CB 2.190 44.236 42.059 -0.021 0.000 1.310 144 L HN 0.759 8.989 8.230 0.000 0.000 0.416 145 G N 0.103 108.911 108.800 0.014 0.000 2.667 145 G HA2 0.062 4.021 3.960 -0.001 0.000 0.250 145 G HA3 0.062 4.021 3.960 -0.001 0.000 0.250 145 G C 0.563 175.458 174.900 -0.009 0.000 1.212 145 G CA -0.178 44.925 45.100 0.005 0.000 0.874 145 G HN 0.889 9.179 8.290 0.000 0.000 0.561 146 E N 0.004 120.198 120.200 -0.011 0.000 2.153 146 E HA -0.090 4.260 4.350 -0.001 0.000 0.194 146 E C 2.200 178.795 176.600 -0.009 0.000 0.988 146 E CA 1.040 57.433 56.400 -0.013 0.000 0.811 146 E CB -0.328 29.365 29.700 -0.011 0.000 0.746 146 E HN 0.518 8.878 8.360 0.000 0.000 0.466 147 G N 0.457 109.254 108.800 -0.004 0.000 3.181 147 G HA2 0.120 4.080 3.960 -0.001 0.000 0.219 147 G HA3 0.120 4.080 3.960 -0.001 0.000 0.219 147 G C 0.015 174.912 174.900 -0.006 0.000 1.182 147 G CA -0.211 44.888 45.100 -0.003 0.000 0.791 147 G HN 0.033 8.323 8.290 0.000 0.000 0.537 148 V N 0.409 120.315 119.914 -0.013 0.000 2.427 148 V HA 0.339 4.458 4.120 -0.001 0.000 0.286 148 V C -0.140 175.934 176.094 -0.034 0.000 1.034 148 V CA -1.034 61.251 62.300 -0.025 0.000 0.893 148 V CB 1.828 33.629 31.823 -0.036 0.000 0.982 148 V HN 0.369 8.559 8.190 0.000 0.000 0.452 149 E N 3.576 123.756 120.200 -0.033 0.000 2.216 149 E HA 0.503 4.852 4.350 -0.001 0.000 0.279 149 E C -1.334 175.235 176.600 -0.052 0.000 0.997 149 E CA -0.588 55.795 56.400 -0.029 0.000 0.817 149 E CB 1.871 31.567 29.700 -0.006 0.000 1.096 149 E HN 0.483 8.843 8.360 0.000 0.000 0.393 150 V N 7.009 126.895 119.914 -0.046 0.000 2.348 150 V HA 0.099 4.218 4.120 -0.001 0.000 0.270 150 V C 0.955 177.032 176.094 -0.029 0.000 1.037 150 V CA -0.135 62.133 62.300 -0.053 0.000 0.872 150 V CB 0.971 32.772 31.823 -0.037 0.000 1.002 150 V HN 0.817 9.007 8.190 0.000 0.000 0.464 151 L N 3.828 125.031 121.223 -0.034 0.000 2.477 151 L HA 0.532 4.872 4.340 -0.001 0.000 0.220 151 L C 0.862 177.724 176.870 -0.014 0.000 1.106 151 L CA 0.589 55.405 54.840 -0.040 0.000 0.851 151 L CB 0.196 42.200 42.059 -0.091 0.000 0.994 151 L HN 0.742 8.972 8.230 0.000 0.000 0.462 152 A N 0.213 123.055 122.820 0.036 0.000 2.594 152 A HA 0.771 5.091 4.320 -0.001 0.000 0.296 152 A C -1.028 176.634 177.584 0.131 0.000 1.061 152 A CA -0.597 51.490 52.037 0.084 0.000 0.689 152 A CB 1.415 20.488 19.000 0.122 0.000 1.280 152 A HN 0.086 8.236 8.150 0.000 0.000 0.406 153 R N 0.046 120.622 120.500 0.127 0.000 2.795 153 R HA 0.638 4.978 4.340 -0.001 0.000 0.275 153 R C -1.598 174.798 176.300 0.161 0.000 0.981 153 R CA -0.918 55.273 56.100 0.152 0.000 0.917 153 R CB 2.207 32.567 30.300 0.099 0.000 1.202 153 R HN 0.538 8.808 8.270 0.000 0.000 0.469 154 L N 2.123 123.462 121.223 0.194 0.000 2.283 154 L HA 0.475 4.814 4.340 -0.001 0.000 0.281 154 L C 0.604 177.537 176.870 0.105 0.000 1.033 154 L CA 1.012 55.942 54.840 0.151 0.000 0.848 154 L CB 0.500 42.663 42.059 0.174 0.000 1.226 154 L HN 0.926 9.156 8.230 0.000 0.000 0.429 155 G N 4.274 113.115 108.800 0.068 0.000 2.609 155 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.288 155 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.288 155 G C 0.500 175.432 174.900 0.053 0.000 1.211 155 G CA 0.407 45.535 45.100 0.047 0.000 0.963 155 G HN 0.526 8.816 8.290 0.000 0.000 0.541 156 D N 0.415 120.846 120.400 0.051 0.000 2.433 156 D HA 0.245 4.884 4.640 -0.001 0.000 0.211 156 D C 0.722 177.060 176.300 0.063 0.000 1.114 156 D CA -0.115 53.913 54.000 0.046 0.000 0.837 156 D CB 0.713 41.530 40.800 0.028 0.000 0.984 156 D HN 0.281 8.651 8.370 0.000 0.000 0.505 157 L N 2.608 123.885 121.223 0.091 0.000 2.313 157 L HA 0.313 4.652 4.340 -0.001 0.000 0.282 157 L C -2.584 174.396 176.870 0.184 0.000 1.092 157 L CA -1.521 53.393 54.840 0.123 0.000 0.831 157 L CB 0.725 42.860 42.059 0.127 0.000 1.159 157 L HN -0.339 7.891 8.230 0.000 0.000 0.442 158 P HA 0.037 4.457 4.420 0.000 0.000 0.267 158 P C 0.135 177.646 177.300 0.351 0.000 1.205 158 P CA 0.085 63.280 63.100 0.157 0.000 0.765 158 P CB 0.761 32.477 31.700 0.026 0.000 0.828 159 V N 1.192 121.335 119.914 0.381 0.000 3.485 159 V HA 0.388 4.508 4.120 -0.001 0.000 0.280 159 V C -0.062 176.361 176.094 0.549 0.000 1.495 159 V CA 0.143 62.838 62.300 0.657 0.000 1.018 159 V CB 0.128 32.442 31.823 0.819 0.000 0.818 159 V HN 0.254 8.444 8.190 0.000 0.000 0.436 160 L N 2.777 124.157 121.223 0.262 0.000 2.441 160 L HA 0.852 5.191 4.340 -0.001 0.000 0.270 160 L C -0.794 176.025 176.870 -0.084 0.000 0.973 160 L CA -0.584 54.325 54.840 0.116 0.000 0.842 160 L CB 1.869 44.053 42.059 0.208 0.000 1.239 160 L HN 0.242 8.472 8.230 0.000 0.000 0.406 161 V N 2.414 122.208 119.914 -0.201 0.000 3.040 161 V HA 0.788 4.907 4.120 -0.001 0.000 0.312 161 V C -0.895 175.135 176.094 -0.108 0.000 1.115 161 V CA -0.826 61.340 62.300 -0.223 0.000 0.998 161 V CB 2.015 33.571 31.823 -0.446 0.000 1.042 161 V HN 0.957 9.147 8.190 0.000 0.000 0.433 162 R N 1.990 122.452 120.500 -0.063 0.000 2.621 162 R HA 0.615 4.954 4.340 -0.001 0.000 0.284 162 R C -1.341 174.955 176.300 -0.007 0.000 0.998 162 R CA -0.508 55.586 56.100 -0.010 0.000 0.895 162 R CB 2.209 32.533 30.300 0.039 0.000 1.195 162 R HN 1.003 9.273 8.270 0.000 0.000 0.450 163 Q N 3.581 123.385 119.800 0.008 0.000 2.695 163 Q HA 0.323 4.663 4.340 -0.001 0.000 0.246 163 Q C -0.043 175.967 176.000 0.017 0.000 0.961 163 Q CA 0.281 56.089 55.803 0.009 0.000 0.708 163 Q CB 1.382 30.126 28.738 0.010 0.000 1.282 163 Q HN 0.986 9.256 8.270 0.000 0.000 0.482 164 G N 3.630 112.437 108.800 0.011 0.000 2.565 164 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.295 164 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.295 164 G C 0.204 175.112 174.900 0.013 0.000 1.165 164 G CA 0.417 45.522 45.100 0.008 0.000 0.977 164 G HN 0.592 8.882 8.290 0.000 0.000 0.546 165 K N 0.139 120.554 120.400 0.025 0.000 2.500 165 K HA 0.464 4.783 4.320 -0.001 0.000 0.206 165 K C -0.142 176.528 176.600 0.117 0.000 1.034 165 K CA -0.032 56.284 56.287 0.048 0.000 1.179 165 K CB 0.810 33.327 32.500 0.029 0.000 0.884 165 K HN 0.235 8.485 8.250 0.000 0.000 0.493 166 V N 2.215 122.183 119.914 0.089 0.000 2.384 166 V HA 0.303 4.422 4.120 -0.001 0.000 0.287 166 V C -0.764 175.372 176.094 0.070 0.000 1.020 166 V CA -0.960 61.400 62.300 0.099 0.000 0.850 166 V CB 1.410 33.275 31.823 0.069 0.000 0.987 166 V HN 0.088 8.278 8.190 0.000 0.000 0.436 167 L N 4.821 126.078 121.223 0.057 0.000 2.362 167 L HA 0.992 5.331 4.340 -0.001 0.000 0.271 167 L C -0.173 176.767 176.870 0.117 0.000 1.002 167 L CA -0.217 54.617 54.840 -0.010 0.000 0.818 167 L CB 1.814 43.717 42.059 -0.259 0.000 1.298 167 L HN 0.767 8.997 8.230 0.000 0.000 0.420 168 A N 2.494 125.384 122.820 0.116 0.000 2.488 168 A HA 0.839 5.158 4.320 -0.001 0.000 0.298 168 A C -1.160 176.536 177.584 0.187 0.000 1.044 168 A CA -0.059 52.101 52.037 0.205 0.000 0.693 168 A CB 1.666 20.823 19.000 0.262 0.000 1.272 168 A HN 0.854 9.004 8.150 0.000 0.000 0.402 169 S N 0.189 115.936 115.700 0.078 0.000 2.548 169 S HA 0.627 5.096 4.470 -0.001 0.000 0.286 169 S C 0.489 174.982 174.600 -0.178 0.000 1.098 169 S CA 0.161 58.247 58.200 -0.189 0.000 0.930 169 S CB 1.645 64.285 63.200 -0.934 0.000 1.070 169 S HN 1.576 9.886 8.310 0.000 0.000 0.480 170 S N 0.482 116.181 115.700 -0.001 0.000 2.548 170 S HA 0.283 4.752 4.470 -0.001 0.000 0.215 170 S C 0.276 174.767 174.600 -0.181 0.000 0.976 170 S CA -0.564 57.639 58.200 0.004 0.000 0.908 170 S CB -0.906 62.483 63.200 0.315 0.000 0.781 170 S HN 0.797 9.107 8.310 0.000 0.000 0.519 171 F N 0.345 120.046 119.950 -0.415 0.000 2.518 171 F HA 0.636 5.162 4.527 -0.001 0.000 0.338 171 F C 0.140 175.607 175.800 -0.554 0.000 1.065 171 F CA -1.483 56.047 58.000 -0.782 0.000 1.012 171 F CB 0.469 38.730 39.000 -1.232 0.000 1.297 171 F HN -0.066 8.234 8.300 0.000 0.000 0.489 172 H N 1.925 120.961 119.070 -0.057 0.000 2.700 172 H HA 0.206 4.761 4.556 -0.001 0.000 0.269 172 H C -1.950 173.477 175.328 0.165 0.000 1.222 172 H CA -1.555 54.469 56.048 -0.039 0.000 1.254 172 H CB 0.915 30.623 29.762 -0.090 0.000 1.413 172 H HN 0.448 8.728 8.280 0.000 0.000 0.507 173 P HA -0.164 4.256 4.420 0.000 0.000 0.220 173 P C 1.279 178.862 177.300 0.472 0.000 1.148 173 P CA 0.962 64.439 63.100 0.628 0.000 0.803 173 P CB 0.449 32.465 31.700 0.526 0.000 0.782 174 E N 0.669 121.011 120.200 0.235 0.000 2.478 174 E HA -0.081 4.268 4.350 -0.001 0.000 0.198 174 E C 1.470 178.058 176.600 -0.020 0.000 1.046 174 E CA 0.459 56.866 56.400 0.012 0.000 0.870 174 E CB -0.889 28.500 29.700 -0.518 0.000 0.818 174 E HN 0.344 8.704 8.360 0.000 0.000 0.527 175 L N 1.850 123.102 121.223 0.047 0.000 2.685 175 L HA 0.163 4.502 4.340 -0.001 0.000 0.233 175 L C 0.771 177.664 176.870 0.038 0.000 1.173 175 L CA 0.270 55.110 54.840 0.001 0.000 0.961 175 L CB -0.075 41.965 42.059 -0.032 0.000 1.217 175 L HN 0.125 8.355 8.230 0.000 0.000 0.478 176 T N -5.563 109.033 114.554 0.071 0.000 2.864 176 T HA 0.311 4.660 4.350 -0.001 0.000 0.289 176 T C 0.442 175.158 174.700 0.027 0.000 1.082 176 T CA -0.726 61.398 62.100 0.040 0.000 1.009 176 T CB 1.924 70.791 68.868 -0.001 0.000 1.234 176 T HN 0.038 8.278 8.240 0.000 0.000 0.526 177 E N -0.149 120.047 120.200 -0.007 0.000 2.463 177 E HA 0.077 4.427 4.350 -0.001 0.000 0.193 177 E C -0.441 176.177 176.600 0.030 0.000 1.041 177 E CA -0.212 56.189 56.400 0.001 0.000 0.879 177 E CB 0.309 29.998 29.700 -0.017 0.000 0.997 177 E HN 0.535 8.895 8.360 0.000 0.000 0.478 178 D N 2.081 122.507 120.400 0.045 0.000 2.336 178 D HA 0.033 4.672 4.640 -0.001 0.000 0.249 178 D C -1.626 174.863 176.300 0.315 0.000 1.213 178 D CA -2.098 51.972 54.000 0.117 0.000 0.870 178 D CB 1.289 42.057 40.800 -0.054 0.000 1.076 178 D HN -0.017 8.353 8.370 0.000 0.000 0.483 179 P HA 0.139 4.559 4.420 0.000 0.000 0.262 179 P C 0.963 178.481 177.300 0.362 0.000 1.304 179 P CA -0.079 63.191 63.100 0.283 0.000 0.859 179 P CB 0.549 32.336 31.700 0.146 0.000 1.310 180 R N -0.343 120.385 120.500 0.380 0.000 2.120 180 R HA -0.087 4.253 4.340 -0.001 0.000 0.234 180 R C 2.058 178.513 176.300 0.259 0.000 1.123 180 R CA 0.892 57.177 56.100 0.309 0.000 0.975 180 R CB -0.763 29.718 30.300 0.302 0.000 0.866 180 R HN 0.167 8.437 8.270 0.000 0.000 0.446 181 L N -0.105 121.243 121.223 0.208 0.000 2.156 181 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 181 L C 1.602 178.576 176.870 0.173 0.000 1.095 181 L CA 1.861 56.694 54.840 -0.011 0.000 0.770 181 L CB -0.411 41.411 42.059 -0.396 0.000 0.914 181 L HN 0.091 8.321 8.230 0.000 0.000 0.439 182 H N -1.255 117.987 119.070 0.286 0.000 2.357 182 H HA -0.089 4.466 4.556 -0.001 0.000 0.301 182 H C 2.251 177.750 175.328 0.284 0.000 1.082 182 H CA 1.708 57.979 56.048 0.372 0.000 1.342 182 H CB 0.011 29.991 29.762 0.362 0.000 1.389 182 H HN 0.141 8.421 8.280 0.000 0.000 0.511 183 R N 0.229 120.932 120.500 0.338 0.000 2.081 183 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 183 R C 1.981 178.371 176.300 0.151 0.000 1.131 183 R CA 1.362 57.586 56.100 0.207 0.000 0.960 183 R CB -1.145 29.261 30.300 0.177 0.000 0.856 183 R HN 0.431 8.701 8.270 0.000 0.000 0.436 184 Y N -0.018 120.316 120.300 0.056 0.000 2.165 184 Y HA -0.243 4.306 4.550 -0.001 0.000 0.286 184 Y C 1.836 177.727 175.900 -0.016 0.000 1.155 184 Y CA 2.110 60.208 58.100 -0.004 0.000 1.164 184 Y CB -0.646 37.785 38.460 -0.047 0.000 0.978 184 Y HN 0.185 8.465 8.280 0.000 0.000 0.513 185 F N 0.322 120.177 119.950 -0.159 0.000 2.102 185 F HA -0.196 4.331 4.527 -0.001 0.000 0.298 185 F C 1.885 177.581 175.800 -0.173 0.000 1.105 185 F CA 1.648 59.481 58.000 -0.279 0.000 1.239 185 F CB -0.790 38.021 39.000 -0.315 0.000 0.991 185 F HN 0.063 8.363 8.300 0.000 0.000 0.474 186 L N -0.028 121.021 121.223 -0.289 0.000 2.083 186 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 186 L C 2.510 179.200 176.870 -0.299 0.000 1.083 186 L CA 1.283 55.911 54.840 -0.354 0.000 0.752 186 L CB -0.836 41.163 42.059 -0.100 0.000 0.899 186 L HN 0.143 8.373 8.230 0.000 0.000 0.433 187 E N 0.652 120.713 120.200 -0.231 0.000 2.077 187 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 187 E C 2.190 178.632 176.600 -0.264 0.000 0.989 187 E CA 1.418 57.695 56.400 -0.204 0.000 0.800 187 E CB -0.287 29.314 29.700 -0.166 0.000 0.746 187 E HN 0.498 8.858 8.360 0.000 0.000 0.452 188 L N -1.216 119.783 121.223 -0.373 0.000 2.291 188 L HA 0.159 4.498 4.340 -0.001 0.000 0.214 188 L C 2.060 178.764 176.870 -0.276 0.000 1.120 188 L CA 1.801 56.445 54.840 -0.327 0.000 0.799 188 L CB -0.561 41.267 42.059 -0.385 0.000 0.925 188 L HN -0.092 8.138 8.230 0.000 0.000 0.446 189 A N 0.004 122.596 122.820 -0.380 0.000 2.208 189 A HA 0.455 4.774 4.320 -0.001 0.000 0.209 189 A C 1.863 179.315 177.584 -0.220 0.000 1.161 189 A CA 0.489 52.319 52.037 -0.345 0.000 0.782 189 A CB -0.924 17.726 19.000 -0.584 0.000 0.816 189 A HN 0.951 9.101 8.150 0.000 0.000 0.477 190 G N -0.935 107.747 108.800 -0.195 0.000 2.160 190 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.244 190 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.244 190 G C 0.256 175.089 174.900 -0.113 0.000 1.022 190 G CA 0.256 45.279 45.100 -0.130 0.000 0.741 190 G HN 0.638 8.928 8.290 0.000 0.000 0.508 191 V N 0.000 119.832 119.914 -0.136 0.000 2.409 191 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 191 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 191 V CB 0.000 31.756 31.823 -0.111 0.000 1.184 191 V HN 0.000 8.190 8.190 0.000 0.000 0.556