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 3ghy_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLTRICIVGA GAVGGYLGAR LALAGEAINV LARGATLQAL QTAGLRLTED DATA SEQUENCE GATHTLPVRA THDAAALGEQ DVVIVAVKAP ALESVAAGIA PLIGPGTCVV DATA SEQUENCE VAMNGVPWWF FDRPGPLQGQ RLQAVDPHGR IAQAIPTRHV LGCVVHLTCA DATA SEQUENCE TVSPGHIRHG NGRRLILGEP AGGASPRLAS IAALFGRAGL QAECSEAIQR DATA SEQUENCE DIWFKLWGNM TMNPVSVLTG ATCDRILDDP LVSAFCLAVM AEAKAIGARI DATA SEQUENCE GCPIEQSGEA RSAVTRQLGX XXTSMLQDAE AGXXPLEIDA LVASVREIGL DATA SEQUENCE HVGVPTPQID TLLGLVRLHA QTRGLY 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.602 174.600 0.003 0.000 1.055 0 S CA 0.000 58.201 58.200 0.002 0.000 1.107 0 S CB 0.000 63.201 63.200 0.001 0.000 0.593 1 L N 3.496 124.722 121.223 0.004 0.000 1.581 1 L HA -0.099 4.241 4.340 0.000 0.000 0.585 1 L C 0.013 176.888 176.870 0.008 0.000 0.999 1 L CA -0.145 54.699 54.840 0.006 0.000 1.246 1 L CB -1.131 40.931 42.059 0.005 0.000 2.080 1 L HN 0.763 nan 8.230 nan 0.000 1.066 2 T N 3.882 118.443 114.554 0.011 0.000 2.934 2 T HA 0.112 4.463 4.350 0.000 0.000 0.306 2 T C 0.732 175.441 174.700 0.016 0.000 1.042 2 T CA -0.121 61.988 62.100 0.014 0.000 1.145 2 T CB 0.365 69.245 68.868 0.020 0.000 0.982 2 T HN 0.305 nan 8.240 nan 0.000 0.544 3 R N 2.753 123.263 120.500 0.016 0.000 2.220 3 R HA 0.387 4.727 4.340 0.000 0.000 0.340 3 R C -0.325 175.989 176.300 0.023 0.000 1.076 3 R CA -0.129 55.981 56.100 0.016 0.000 0.920 3 R CB 0.062 30.369 30.300 0.012 0.000 1.062 3 R HN 0.569 nan 8.270 nan 0.000 0.469 4 I N 2.338 122.924 120.570 0.027 0.000 2.378 4 I HA 0.272 4.443 4.170 0.000 0.000 0.291 4 I C -0.404 175.731 176.117 0.029 0.000 0.992 4 I CA -0.768 60.555 61.300 0.038 0.000 1.154 4 I CB 1.890 39.918 38.000 0.048 0.000 1.315 4 I HN 0.560 nan 8.210 nan 0.000 0.448 5 C N 7.813 127.133 119.300 0.033 0.000 2.441 5 C HA 0.585 5.045 4.460 0.000 0.000 0.318 5 C C -0.348 174.662 174.990 0.032 0.000 1.222 5 C CA -0.564 58.469 59.018 0.025 0.000 1.474 5 C CB 0.565 28.314 27.740 0.016 0.000 2.125 5 C HN 0.543 nan 8.230 nan 0.000 0.479 6 I N 6.580 127.165 120.570 0.025 0.000 2.342 6 I HA 0.327 4.497 4.170 0.000 0.000 0.291 6 I C 0.086 176.218 176.117 0.025 0.000 1.010 6 I CA -0.240 61.077 61.300 0.029 0.000 1.308 6 I CB 1.249 39.260 38.000 0.019 0.000 1.400 6 I HN 0.340 nan 8.210 nan 0.000 0.488 7 V N 4.983 124.918 119.914 0.034 0.000 2.293 7 V HA 0.675 4.796 4.120 0.000 0.000 0.275 7 V C 0.500 176.615 176.094 0.035 0.000 1.021 7 V CA -0.452 61.863 62.300 0.025 0.000 0.815 7 V CB 0.799 32.636 31.823 0.023 0.000 1.025 7 V HN 1.076 nan 8.190 nan 0.000 0.448 8 G N 4.220 113.036 108.800 0.028 0.000 2.943 8 G HA2 0.123 4.083 3.960 0.000 0.000 0.250 8 G HA3 0.123 4.083 3.960 0.000 0.000 0.250 8 G C 0.169 175.094 174.900 0.040 0.000 0.996 8 G CA -0.246 44.875 45.100 0.035 0.000 1.248 8 G HN 1.394 nan 8.290 nan 0.000 0.589 9 A N 0.880 123.722 122.820 0.037 0.000 2.604 9 A HA 0.642 4.962 4.320 0.000 0.000 0.248 9 A C 1.658 179.270 177.584 0.046 0.000 1.466 9 A CA 1.364 53.426 52.037 0.041 0.000 1.222 9 A CB -0.402 18.621 19.000 0.038 0.000 0.945 9 A HN 1.913 nan 8.150 nan 0.000 0.600 10 G N -1.294 107.534 108.800 0.046 0.000 2.489 10 G HA2 0.399 4.360 3.960 0.000 0.000 0.271 10 G HA3 0.399 4.360 3.960 0.000 0.000 0.271 10 G C 1.351 176.281 174.900 0.049 0.000 1.427 10 G CA 0.110 45.235 45.100 0.043 0.000 1.057 10 G HN 0.679 nan 8.290 nan 0.000 0.532 11 A N -1.466 121.375 122.820 0.036 0.000 1.881 11 A HA -0.108 4.213 4.320 0.000 0.000 0.219 11 A C 2.521 180.145 177.584 0.067 0.000 1.215 11 A CA 2.773 54.829 52.037 0.031 0.000 0.648 11 A CB -0.960 18.038 19.000 -0.002 0.000 0.832 11 A HN 0.526 nan 8.150 nan 0.000 0.455 12 V N -0.726 119.226 119.914 0.063 0.000 2.331 12 V HA -0.023 4.097 4.120 0.000 0.000 0.242 12 V C 2.859 179.018 176.094 0.108 0.000 1.034 12 V CA 1.738 64.092 62.300 0.090 0.000 1.027 12 V CB -1.513 30.349 31.823 0.064 0.000 0.667 12 V HN 0.625 nan 8.190 nan 0.000 0.457 13 G N 0.266 109.112 108.800 0.076 0.000 2.446 13 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 13 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 13 G C 1.618 176.543 174.900 0.041 0.000 1.168 13 G CA 1.054 46.187 45.100 0.055 0.000 0.771 13 G HN 0.588 nan 8.290 nan 0.000 0.551 14 G N -0.534 108.302 108.800 0.060 0.000 2.422 14 G HA2 -0.198 3.762 3.960 0.000 0.000 0.218 14 G HA3 -0.198 3.762 3.960 0.000 0.000 0.218 14 G C 1.614 176.548 174.900 0.056 0.000 1.140 14 G CA 1.030 46.162 45.100 0.053 0.000 0.775 14 G HN 0.418 nan 8.290 nan 0.000 0.545 15 Y N 1.185 121.475 120.300 -0.017 0.000 2.114 15 Y HA -0.024 4.526 4.550 0.000 0.000 0.284 15 Y C 2.597 178.452 175.900 -0.075 0.000 1.143 15 Y CA 1.310 59.395 58.100 -0.025 0.000 1.135 15 Y CB -0.322 38.139 38.460 0.002 0.000 0.980 15 Y HN 0.094 nan 8.280 nan 0.000 0.499 16 L N -0.659 120.496 121.223 -0.113 0.000 2.042 16 L HA -0.197 4.143 4.340 0.000 0.000 0.210 16 L C 2.682 179.381 176.870 -0.286 0.000 1.076 16 L CA 1.379 56.048 54.840 -0.285 0.000 0.749 16 L CB -1.299 40.616 42.059 -0.240 0.000 0.893 16 L HN 0.418 nan 8.230 nan 0.000 0.432 17 G N -0.504 108.198 108.800 -0.162 0.000 2.422 17 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 17 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 17 G C 1.761 176.574 174.900 -0.146 0.000 1.146 17 G CA 0.800 45.830 45.100 -0.117 0.000 0.769 17 G HN 0.472 nan 8.290 nan 0.000 0.547 18 A N 0.680 123.388 122.820 -0.185 0.000 1.898 18 A HA 0.041 4.362 4.320 0.000 0.000 0.216 18 A C 2.506 179.921 177.584 -0.282 0.000 1.181 18 A CA 1.382 53.302 52.037 -0.195 0.000 0.620 18 A CB -0.271 18.633 19.000 -0.160 0.000 0.819 18 A HN 0.193 nan 8.150 nan 0.000 0.442 19 R N -0.100 120.144 120.500 -0.427 0.000 2.091 19 R HA -0.069 4.271 4.340 0.000 0.000 0.238 19 R C 2.020 178.172 176.300 -0.247 0.000 1.136 19 R CA 1.331 57.190 56.100 -0.400 0.000 0.959 19 R CB -1.230 28.765 30.300 -0.508 0.000 0.856 19 R HN 0.591 nan 8.270 nan 0.000 0.437 20 L N 0.167 121.264 121.223 -0.211 0.000 2.056 20 L HA -0.089 4.252 4.340 0.000 0.000 0.207 20 L C 2.622 179.440 176.870 -0.087 0.000 1.078 20 L CA 1.348 56.118 54.840 -0.117 0.000 0.749 20 L CB -0.618 41.392 42.059 -0.082 0.000 0.901 20 L HN 0.138 nan 8.230 nan 0.000 0.433 21 A N -0.072 122.689 122.820 -0.097 0.000 1.902 21 A HA -0.153 4.167 4.320 0.000 0.000 0.217 21 A C 2.271 179.807 177.584 -0.080 0.000 1.181 21 A CA 1.302 53.296 52.037 -0.071 0.000 0.623 21 A CB -0.694 18.269 19.000 -0.061 0.000 0.818 21 A HN 0.345 nan 8.150 nan 0.000 0.443 22 L N -0.823 120.323 121.223 -0.128 0.000 2.131 22 L HA -0.184 4.156 4.340 0.000 0.000 0.210 22 L C 2.743 179.552 176.870 -0.100 0.000 1.092 22 L CA 0.960 55.714 54.840 -0.143 0.000 0.759 22 L CB -0.306 41.604 42.059 -0.248 0.000 0.903 22 L HN 0.447 nan 8.230 nan 0.000 0.435 23 A N -0.794 121.972 122.820 -0.090 0.000 2.235 23 A HA 0.246 4.567 4.320 0.000 0.000 0.208 23 A C 1.658 179.221 177.584 -0.034 0.000 1.172 23 A CA 0.771 52.774 52.037 -0.057 0.000 0.786 23 A CB -0.462 18.509 19.000 -0.048 0.000 0.804 23 A HN 0.547 nan 8.150 nan 0.000 0.479 24 G N -0.946 107.834 108.800 -0.034 0.000 2.157 24 G HA2 -0.185 3.775 3.960 0.000 0.000 0.239 24 G HA3 -0.185 3.775 3.960 0.000 0.000 0.239 24 G C -0.150 174.742 174.900 -0.013 0.000 0.982 24 G CA 0.164 45.253 45.100 -0.020 0.000 0.650 24 G HN 0.468 nan 8.290 nan 0.000 0.527 25 E N 0.285 120.476 120.200 -0.015 0.000 2.366 25 E HA 0.554 4.904 4.350 0.000 0.000 0.266 25 E C 0.671 177.267 176.600 -0.007 0.000 1.051 25 E CA 0.372 56.769 56.400 -0.005 0.000 0.884 25 E CB 1.251 30.953 29.700 0.002 0.000 1.006 25 E HN 0.789 nan 8.360 nan 0.000 0.417 26 A N 2.969 125.790 122.820 0.000 0.000 2.354 26 A HA 0.417 4.737 4.320 0.000 0.000 0.281 26 A C 0.021 177.607 177.584 0.003 0.000 1.174 26 A CA -0.417 51.621 52.037 0.001 0.000 0.828 26 A CB -0.416 18.586 19.000 0.004 0.000 1.099 26 A HN 0.520 nan 8.150 nan 0.000 0.516 27 I N 1.363 121.933 120.570 -0.001 0.000 2.436 27 I HA 0.483 4.653 4.170 0.000 0.000 0.289 27 I C -0.832 175.288 176.117 0.005 0.000 1.010 27 I CA -0.760 60.541 61.300 0.001 0.000 1.098 27 I CB 1.762 39.757 38.000 -0.009 0.000 1.266 27 I HN 0.457 nan 8.210 nan 0.000 0.434 28 N N 5.505 124.210 118.700 0.009 0.000 2.508 28 N HA 0.580 5.321 4.740 0.000 0.000 0.285 28 N C -1.040 174.477 175.510 0.011 0.000 1.144 28 N CA -0.462 52.594 53.050 0.010 0.000 0.978 28 N CB 2.335 40.828 38.487 0.010 0.000 1.180 28 N HN 0.505 nan 8.380 nan 0.000 0.484 29 V N 1.641 121.562 119.914 0.011 0.000 2.638 29 V HA 0.296 4.416 4.120 0.000 0.000 0.306 29 V C -0.389 175.709 176.094 0.007 0.000 1.052 29 V CA -0.878 61.429 62.300 0.012 0.000 0.885 29 V CB 2.030 33.863 31.823 0.016 0.000 0.999 29 V HN 0.442 nan 8.190 nan 0.000 0.424 30 L N 4.832 126.053 121.223 -0.003 0.000 2.255 30 L HA 0.846 5.186 4.340 0.000 0.000 0.289 30 L C 0.219 177.073 176.870 -0.027 0.000 1.046 30 L CA 0.511 55.336 54.840 -0.025 0.000 0.816 30 L CB 0.469 42.502 42.059 -0.044 0.000 1.197 30 L HN 0.898 nan 8.230 nan 0.000 0.427 31 A N 5.702 128.513 122.820 -0.016 0.000 2.530 31 A HA 0.993 5.313 4.320 0.000 0.000 0.288 31 A C -1.010 176.605 177.584 0.051 0.000 1.172 31 A CA -0.797 51.245 52.037 0.009 0.000 0.733 31 A CB 1.520 20.542 19.000 0.036 0.000 1.320 31 A HN 0.748 nan 8.150 nan 0.000 0.419 32 R N -0.917 119.642 120.500 0.097 0.000 2.855 32 R HA 0.778 5.118 4.340 0.000 0.000 0.266 32 R C 0.582 176.958 176.300 0.127 0.000 1.034 32 R CA -0.131 56.102 56.100 0.223 0.000 0.944 32 R CB 0.636 31.067 30.300 0.219 0.000 1.219 32 R HN 2.408 nan 8.270 nan 0.000 0.474 33 G N 0.504 109.367 108.800 0.105 0.000 2.611 33 G HA2 -0.414 3.546 3.960 0.000 0.000 0.301 33 G HA3 -0.414 3.546 3.960 0.000 0.000 0.301 33 G C 0.859 175.784 174.900 0.042 0.000 1.233 33 G CA 1.130 46.262 45.100 0.053 0.000 0.993 33 G HN 1.099 nan 8.290 nan 0.000 0.553 34 A N -1.824 121.018 122.820 0.036 0.000 1.968 34 A HA 0.229 4.549 4.320 0.000 0.000 0.217 34 A C 2.572 180.179 177.584 0.039 0.000 1.169 34 A CA 2.859 54.915 52.037 0.033 0.000 0.638 34 A CB -0.844 18.174 19.000 0.029 0.000 0.812 34 A HN 1.232 nan 8.150 nan 0.000 0.446 35 T N 0.383 114.964 114.554 0.044 0.000 2.708 35 T HA -0.154 4.196 4.350 0.000 0.000 0.266 35 T C 1.839 176.568 174.700 0.047 0.000 1.037 35 T CA 1.532 63.660 62.100 0.047 0.000 1.146 35 T CB -0.418 68.478 68.868 0.046 0.000 0.865 35 T HN 0.305 nan 8.240 nan 0.000 0.435 36 L N 1.137 122.392 121.223 0.054 0.000 2.012 36 L HA -0.098 4.242 4.340 0.000 0.000 0.210 36 L C 2.599 179.494 176.870 0.043 0.000 1.073 36 L CA 1.900 56.774 54.840 0.057 0.000 0.748 36 L CB -0.842 41.268 42.059 0.085 0.000 0.891 36 L HN 0.232 nan 8.230 nan 0.000 0.431 37 Q N -0.983 118.839 119.800 0.037 0.000 2.084 37 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 37 Q C 2.153 178.168 176.000 0.025 0.000 0.978 37 Q CA 1.986 57.804 55.803 0.026 0.000 0.844 37 Q CB -0.253 28.497 28.738 0.020 0.000 0.898 37 Q HN 0.654 nan 8.270 nan 0.000 0.426 38 A N 0.230 123.067 122.820 0.029 0.000 1.902 38 A HA -0.141 4.180 4.320 0.000 0.000 0.217 38 A C 2.014 179.616 177.584 0.030 0.000 1.181 38 A CA 1.133 53.188 52.037 0.029 0.000 0.623 38 A CB -0.643 18.380 19.000 0.038 0.000 0.818 38 A HN 0.447 nan 8.150 nan 0.000 0.443 39 L N -1.034 120.210 121.223 0.035 0.000 2.027 39 L HA -0.231 4.109 4.340 0.000 0.000 0.206 39 L C 2.893 179.779 176.870 0.026 0.000 1.074 39 L CA 1.533 56.392 54.840 0.033 0.000 0.745 39 L CB -0.531 41.549 42.059 0.035 0.000 0.898 39 L HN 0.463 nan 8.230 nan 0.000 0.433 40 Q N -0.917 118.898 119.800 0.025 0.000 2.124 40 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 40 Q C 2.063 178.072 176.000 0.015 0.000 0.977 40 Q CA 2.029 57.844 55.803 0.020 0.000 0.850 40 Q CB -0.052 28.699 28.738 0.022 0.000 0.901 40 Q HN 0.515 nan 8.270 nan 0.000 0.429 41 T N -0.397 114.166 114.554 0.014 0.000 2.866 41 T HA 0.090 4.440 4.350 0.000 0.000 0.250 41 T C 1.423 176.128 174.700 0.007 0.000 1.033 41 T CA 1.033 63.139 62.100 0.009 0.000 1.145 41 T CB 0.103 68.976 68.868 0.008 0.000 0.866 41 T HN 0.250 nan 8.240 nan 0.000 0.434 42 A N 0.376 123.201 122.820 0.008 0.000 2.470 42 A HA 0.667 4.987 4.320 0.000 0.000 0.251 42 A C 1.144 178.733 177.584 0.008 0.000 1.245 42 A CA 0.437 52.476 52.037 0.003 0.000 0.932 42 A CB -0.441 18.556 19.000 -0.006 0.000 1.037 42 A HN 0.750 nan 8.150 nan 0.000 0.522 43 G N -0.727 108.082 108.800 0.016 0.000 2.782 43 G HA2 0.040 4.001 3.960 0.000 0.000 0.228 43 G HA3 0.040 4.001 3.960 0.000 0.000 0.228 43 G C -0.492 174.428 174.900 0.033 0.000 1.372 43 G CA -0.182 44.931 45.100 0.021 0.000 0.862 43 G HN 1.199 nan 8.290 nan 0.000 0.547 44 L N 0.660 121.904 121.223 0.036 0.000 2.281 44 L HA 0.711 5.051 4.340 0.000 0.000 0.285 44 L C 0.822 177.738 176.870 0.076 0.000 1.074 44 L CA -0.215 54.657 54.840 0.052 0.000 0.817 44 L CB 0.581 42.659 42.059 0.032 0.000 1.168 44 L HN 0.589 nan 8.230 nan 0.000 0.434 45 R N 5.085 125.659 120.500 0.123 0.000 2.338 45 R HA 0.647 4.987 4.340 0.000 0.000 0.317 45 R C -1.402 175.081 176.300 0.304 0.000 0.968 45 R CA -0.859 55.347 56.100 0.178 0.000 0.849 45 R CB 1.655 32.010 30.300 0.091 0.000 1.128 45 R HN 0.521 nan 8.270 nan 0.000 0.448 46 L N 1.841 123.229 121.223 0.274 0.000 2.376 46 L HA 0.421 4.761 4.340 0.000 0.000 0.275 46 L C -0.958 176.114 176.870 0.337 0.000 0.987 46 L CA 0.017 55.023 54.840 0.277 0.000 0.828 46 L CB 2.281 44.440 42.059 0.168 0.000 1.249 46 L HN 0.528 nan 8.230 nan 0.000 0.409 47 T N 4.520 119.254 114.554 0.299 0.000 2.749 47 T HA 0.559 4.909 4.350 0.000 0.000 0.287 47 T C -0.674 174.171 174.700 0.242 0.000 0.970 47 T CA -0.278 61.974 62.100 0.254 0.000 0.980 47 T CB 0.737 69.753 68.868 0.247 0.000 0.924 47 T HN 0.664 nan 8.240 nan 0.000 0.456 48 E N 2.381 122.729 120.200 0.245 0.000 2.321 48 E HA 0.306 4.656 4.350 0.000 0.000 0.278 48 E C -1.047 175.663 176.600 0.183 0.000 0.902 48 E CA -0.657 55.887 56.400 0.239 0.000 0.758 48 E CB 0.925 30.734 29.700 0.182 0.000 1.213 48 E HN 0.475 nan 8.360 nan 0.000 0.426 49 D N 3.139 123.641 120.400 0.170 0.000 2.811 49 D HA -0.202 4.438 4.640 0.000 0.000 0.231 49 D C 0.658 177.008 176.300 0.084 0.000 1.157 49 D CA 1.800 55.870 54.000 0.118 0.000 0.716 49 D CB -1.412 39.448 40.800 0.100 0.000 1.077 49 D HN 1.003 nan 8.370 nan 0.000 0.428 50 G N -1.519 107.329 108.800 0.080 0.000 2.153 50 G HA2 -0.036 3.925 3.960 0.000 0.000 0.252 50 G HA3 -0.036 3.925 3.960 0.000 0.000 0.252 50 G C 0.304 175.218 174.900 0.022 0.000 0.994 50 G CA 0.702 45.832 45.100 0.050 0.000 0.698 50 G HN 1.298 nan 8.290 nan 0.000 0.521 51 A N -0.400 122.429 122.820 0.014 0.000 2.355 51 A HA 0.851 5.171 4.320 0.000 0.000 0.317 51 A C 0.063 177.548 177.584 -0.165 0.000 1.094 51 A CA 0.230 52.207 52.037 -0.099 0.000 0.764 51 A CB 1.469 20.382 19.000 -0.144 0.000 1.230 51 A HN 0.645 nan 8.150 nan 0.000 0.448 52 T N 3.412 117.842 114.554 -0.207 0.000 2.767 52 T HA 0.485 4.835 4.350 0.000 0.000 0.284 52 T C -0.547 173.986 174.700 -0.278 0.000 0.973 52 T CA -0.139 61.885 62.100 -0.128 0.000 0.996 52 T CB 0.166 69.014 68.868 -0.034 0.000 0.927 52 T HN 0.607 nan 8.240 nan 0.000 0.456 53 H N 1.767 120.864 119.070 0.044 0.000 2.469 53 H HA 0.489 5.045 4.556 0.000 0.000 0.342 53 H C 0.279 175.619 175.328 0.020 0.000 1.115 53 H CA -0.612 55.449 56.048 0.022 0.000 1.204 53 H CB 1.757 31.527 29.762 0.014 0.000 1.492 53 H HN 0.621 nan 8.280 nan 0.000 0.499 54 T N 1.896 116.513 114.554 0.105 0.000 2.786 54 T HA 0.564 4.914 4.350 0.000 0.000 0.283 54 T C -0.526 174.208 174.700 0.057 0.000 0.992 54 T CA -0.867 61.269 62.100 0.061 0.000 0.954 54 T CB 0.085 68.963 68.868 0.017 0.000 0.934 54 T HN 0.344 nan 8.240 nan 0.000 0.440 55 L N 5.512 126.763 121.223 0.046 0.000 2.342 55 L HA 0.477 4.817 4.340 0.000 0.000 0.276 55 L C -2.487 174.393 176.870 0.017 0.000 0.997 55 L CA -2.345 52.511 54.840 0.027 0.000 0.838 55 L CB 2.105 44.171 42.059 0.011 0.000 1.224 55 L HN 0.446 nan 8.230 nan 0.000 0.416 56 P HA 0.097 nan 4.420 nan 0.000 0.268 56 P C -0.700 176.604 177.300 0.008 0.000 1.204 56 P CA -0.136 62.971 63.100 0.011 0.000 0.768 56 P CB 0.918 32.623 31.700 0.009 0.000 0.842 57 V N 1.339 121.259 119.914 0.010 0.000 3.126 57 V HA 0.629 4.750 4.120 0.000 0.000 0.314 57 V C -0.201 175.900 176.094 0.011 0.000 1.138 57 V CA -1.083 61.222 62.300 0.009 0.000 1.034 57 V CB 2.523 34.352 31.823 0.010 0.000 1.075 57 V HN 0.252 nan 8.190 nan 0.000 0.442 58 R N 1.598 122.104 120.500 0.010 0.000 2.280 58 R HA 0.717 5.057 4.340 0.000 0.000 0.326 58 R C -0.393 175.916 176.300 0.015 0.000 1.080 58 R CA 0.099 56.207 56.100 0.012 0.000 1.002 58 R CB 0.676 30.983 30.300 0.011 0.000 1.136 58 R HN 1.101 nan 8.270 nan 0.000 0.509 59 A N 2.504 125.336 122.820 0.019 0.000 2.317 59 A HA 0.629 4.949 4.320 0.000 0.000 0.327 59 A C -0.300 177.304 177.584 0.032 0.000 1.178 59 A CA -0.394 51.657 52.037 0.024 0.000 0.817 59 A CB 1.678 20.695 19.000 0.028 0.000 1.189 59 A HN 0.592 nan 8.150 nan 0.000 0.489 60 T N -0.756 113.820 114.554 0.037 0.000 2.769 60 T HA 0.378 4.729 4.350 0.000 0.000 0.306 60 T C 0.006 174.752 174.700 0.076 0.000 1.400 60 T CA -0.218 61.916 62.100 0.058 0.000 1.007 60 T CB 1.256 70.151 68.868 0.044 0.000 1.392 60 T HN 0.779 nan 8.240 nan 0.000 0.500 61 H N 0.514 119.586 119.070 0.004 0.000 2.563 61 H HA 0.387 4.943 4.556 0.000 0.000 0.264 61 H C -0.122 175.206 175.328 0.001 0.000 0.957 61 H CA 0.334 56.383 56.048 0.003 0.000 1.173 61 H CB 0.490 30.253 29.762 0.002 0.000 1.420 61 H HN 0.351 nan 8.280 nan 0.000 0.551 62 D N -0.112 120.336 120.400 0.081 0.000 2.427 62 D HA 0.236 4.876 4.640 0.000 0.000 0.226 62 D C 0.849 177.154 176.300 0.007 0.000 1.076 62 D CA 0.109 54.138 54.000 0.048 0.000 0.849 62 D CB 1.108 41.945 40.800 0.063 0.000 1.052 62 D HN 0.360 nan 8.370 nan 0.000 0.515 63 A N 3.589 126.398 122.820 -0.018 0.000 1.969 63 A HA 0.029 4.349 4.320 0.000 0.000 0.218 63 A C 2.054 179.632 177.584 -0.010 0.000 1.169 63 A CA 1.542 53.566 52.037 -0.022 0.000 0.635 63 A CB -0.339 18.639 19.000 -0.037 0.000 0.810 63 A HN 0.601 nan 8.150 nan 0.000 0.445 64 A N 0.007 122.824 122.820 -0.004 0.000 1.933 64 A HA 0.147 4.467 4.320 0.000 0.000 0.218 64 A C 2.454 180.039 177.584 0.003 0.000 1.175 64 A CA 1.960 53.996 52.037 -0.001 0.000 0.628 64 A CB -0.876 18.126 19.000 0.003 0.000 0.814 64 A HN 1.003 nan 8.150 nan 0.000 0.444 65 A N -0.378 122.446 122.820 0.008 0.000 1.930 65 A HA 0.016 4.336 4.320 0.000 0.000 0.217 65 A C 2.139 179.727 177.584 0.007 0.000 1.175 65 A CA 1.418 53.461 52.037 0.009 0.000 0.627 65 A CB -0.494 18.515 19.000 0.016 0.000 0.815 65 A HN 0.471 nan 8.150 nan 0.000 0.443 66 L N -1.370 119.855 121.223 0.005 0.000 2.109 66 L HA 0.176 4.516 4.340 0.000 0.000 0.207 66 L C 1.620 178.491 176.870 0.001 0.000 1.086 66 L CA 0.566 55.408 54.840 0.003 0.000 0.760 66 L CB -1.035 41.025 42.059 0.001 0.000 0.910 66 L HN 0.664 nan 8.230 nan 0.000 0.437 67 G N 0.517 109.316 108.800 -0.002 0.000 2.741 67 G HA2 -0.320 3.640 3.960 0.000 0.000 0.222 67 G HA3 -0.320 3.640 3.960 0.000 0.000 0.222 67 G C -0.214 174.683 174.900 -0.006 0.000 1.364 67 G CA -0.127 44.971 45.100 -0.003 0.000 0.866 67 G HN 0.346 nan 8.290 nan 0.000 0.555 68 E N 0.312 120.509 120.200 -0.005 0.000 2.465 68 E HA 0.222 4.572 4.350 0.000 0.000 0.260 68 E C 0.223 176.822 176.600 -0.001 0.000 0.980 68 E CA 0.246 56.642 56.400 -0.007 0.000 0.927 68 E CB 0.228 29.927 29.700 -0.002 0.000 0.934 68 E HN 0.396 nan 8.360 nan 0.000 0.459 69 Q N 3.340 123.138 119.800 -0.003 0.000 2.241 69 Q HA 0.169 4.509 4.340 0.000 0.000 0.262 69 Q C -0.110 175.897 176.000 0.011 0.000 1.014 69 Q CA -0.614 55.193 55.803 0.006 0.000 0.885 69 Q CB 1.464 30.207 28.738 0.008 0.000 1.311 69 Q HN 0.623 nan 8.270 nan 0.000 0.461 70 D N -0.333 120.077 120.400 0.017 0.000 2.201 70 D HA 0.050 4.690 4.640 0.000 0.000 0.209 70 D C 0.063 176.377 176.300 0.024 0.000 0.961 70 D CA 0.913 54.924 54.000 0.019 0.000 0.861 70 D CB 0.821 41.630 40.800 0.015 0.000 0.997 70 D HN 0.101 nan 8.370 nan 0.000 0.486 71 V N 1.829 121.762 119.914 0.032 0.000 2.482 71 V HA 0.266 4.386 4.120 0.000 0.000 0.295 71 V C -0.362 175.767 176.094 0.058 0.000 1.026 71 V CA -0.701 61.627 62.300 0.047 0.000 0.856 71 V CB 2.579 34.440 31.823 0.065 0.000 1.001 71 V HN -0.230 nan 8.190 nan 0.000 0.424 72 V N 6.543 126.493 119.914 0.060 0.000 2.384 72 V HA 0.514 4.635 4.120 0.000 0.000 0.287 72 V C -0.167 175.984 176.094 0.095 0.000 1.020 72 V CA -0.408 61.929 62.300 0.062 0.000 0.850 72 V CB 1.822 33.669 31.823 0.040 0.000 0.987 72 V HN 0.697 nan 8.190 nan 0.000 0.436 73 I N 5.397 126.027 120.570 0.101 0.000 2.312 73 I HA 0.375 4.546 4.170 0.000 0.000 0.290 73 I C -0.477 175.706 176.117 0.109 0.000 1.008 73 I CA -0.509 60.867 61.300 0.127 0.000 1.226 73 I CB 1.665 39.740 38.000 0.125 0.000 1.371 73 I HN 0.283 nan 8.210 nan 0.000 0.468 74 V N 6.356 126.353 119.914 0.139 0.000 2.313 74 V HA 0.575 4.696 4.120 0.000 0.000 0.278 74 V C 0.399 176.587 176.094 0.157 0.000 1.017 74 V CA -0.330 62.056 62.300 0.142 0.000 0.823 74 V CB 1.243 33.176 31.823 0.183 0.000 1.010 74 V HN 0.842 nan 8.190 nan 0.000 0.443 75 A N 5.064 127.955 122.820 0.120 0.000 3.410 75 A HA 0.660 4.980 4.320 0.000 0.000 0.276 75 A C -0.231 177.406 177.584 0.089 0.000 0.995 75 A CA -0.313 51.791 52.037 0.112 0.000 0.934 75 A CB 0.600 19.658 19.000 0.096 0.000 1.191 75 A HN 0.896 nan 8.150 nan 0.000 0.511 76 V N -2.129 117.841 119.914 0.092 0.000 3.109 76 V HA 0.560 4.681 4.120 0.000 0.000 0.317 76 V C 0.126 176.264 176.094 0.074 0.000 1.074 76 V CA -1.175 61.167 62.300 0.070 0.000 1.033 76 V CB 0.848 32.704 31.823 0.056 0.000 1.111 76 V HN 0.461 nan 8.190 nan 0.000 0.458 77 K N 1.278 121.713 120.400 0.058 0.000 2.295 77 K HA 0.442 4.762 4.320 0.000 0.000 0.270 77 K C 1.415 178.053 176.600 0.063 0.000 1.011 77 K CA 0.271 56.592 56.287 0.057 0.000 0.953 77 K CB 1.118 33.645 32.500 0.046 0.000 0.956 77 K HN 0.869 nan 8.250 nan 0.000 0.477 78 A N 4.746 127.609 122.820 0.073 0.000 1.917 78 A HA -0.132 4.188 4.320 0.000 0.000 0.219 78 A C -0.593 177.026 177.584 0.058 0.000 1.182 78 A CA 1.432 53.518 52.037 0.081 0.000 0.633 78 A CB -1.292 17.761 19.000 0.088 0.000 0.819 78 A HN 0.631 nan 8.150 nan 0.000 0.448 79 P HA 0.055 nan 4.420 nan 0.000 0.223 79 P C 1.183 178.488 177.300 0.009 0.000 1.151 79 P CA 1.334 64.445 63.100 0.019 0.000 0.787 79 P CB 0.008 31.707 31.700 -0.003 0.000 0.788 80 A N -1.053 121.776 122.820 0.015 0.000 2.208 80 A HA 0.025 4.345 4.320 0.000 0.000 0.209 80 A C 1.857 179.441 177.584 -0.001 0.000 1.161 80 A CA 0.338 52.378 52.037 0.006 0.000 0.782 80 A CB -1.162 17.845 19.000 0.012 0.000 0.816 80 A HN 0.116 nan 8.150 nan 0.000 0.477 81 L N -0.047 121.179 121.223 0.005 0.000 2.109 81 L HA -0.051 4.289 4.340 0.000 0.000 0.207 81 L C 2.049 178.879 176.870 -0.067 0.000 1.086 81 L CA 1.976 56.804 54.840 -0.020 0.000 0.760 81 L CB -0.484 41.578 42.059 0.005 0.000 0.910 81 L HN 0.488 nan 8.230 nan 0.000 0.437 82 E N -0.712 119.457 120.200 -0.051 0.000 2.070 82 E HA -0.248 4.102 4.350 0.000 0.000 0.197 82 E C 2.201 178.764 176.600 -0.061 0.000 1.004 82 E CA 1.759 58.123 56.400 -0.060 0.000 0.805 82 E CB -0.091 29.597 29.700 -0.020 0.000 0.744 82 E HN 0.719 nan 8.360 nan 0.000 0.451 83 S N -0.094 115.579 115.700 -0.045 0.000 2.387 83 S HA -0.071 4.400 4.470 0.000 0.000 0.226 83 S C 2.169 176.737 174.600 -0.053 0.000 1.026 83 S CA 0.760 58.934 58.200 -0.044 0.000 0.972 83 S CB -0.285 62.897 63.200 -0.029 0.000 0.814 83 S HN 0.052 nan 8.310 nan 0.000 0.477 84 V N 2.370 122.252 119.914 -0.053 0.000 2.427 84 V HA -0.054 4.066 4.120 0.000 0.000 0.248 84 V C 3.124 179.175 176.094 -0.072 0.000 1.051 84 V CA 1.604 63.870 62.300 -0.058 0.000 1.048 84 V CB -1.287 30.513 31.823 -0.038 0.000 0.666 84 V HN 0.668 nan 8.190 nan 0.000 0.456 85 A N -0.196 122.567 122.820 -0.095 0.000 1.933 85 A HA -0.101 4.219 4.320 0.000 0.000 0.218 85 A C 2.369 179.894 177.584 -0.097 0.000 1.175 85 A CA 1.995 53.957 52.037 -0.124 0.000 0.628 85 A CB -0.659 18.214 19.000 -0.211 0.000 0.814 85 A HN 0.572 nan 8.150 nan 0.000 0.444 86 A N -0.670 122.101 122.820 -0.083 0.000 1.968 86 A HA 0.215 4.535 4.320 0.000 0.000 0.217 86 A C 2.284 179.834 177.584 -0.057 0.000 1.169 86 A CA 1.580 53.578 52.037 -0.064 0.000 0.638 86 A CB -1.096 17.870 19.000 -0.056 0.000 0.812 86 A HN 0.710 nan 8.150 nan 0.000 0.446 87 G N 0.485 109.247 108.800 -0.062 0.000 2.534 87 G HA2 -0.007 3.953 3.960 0.000 0.000 0.217 87 G HA3 -0.007 3.953 3.960 0.000 0.000 0.217 87 G C 1.295 176.156 174.900 -0.065 0.000 1.128 87 G CA 1.003 46.063 45.100 -0.066 0.000 0.784 87 G HN 0.845 nan 8.290 nan 0.000 0.542 88 I N -2.249 118.284 120.570 -0.062 0.000 3.883 88 I HA 0.524 4.694 4.170 0.000 0.000 0.326 88 I C 2.341 178.425 176.117 -0.054 0.000 1.283 88 I CA 0.382 61.650 61.300 -0.054 0.000 1.161 88 I CB 0.218 38.191 38.000 -0.045 0.000 1.012 88 I HN 0.014 nan 8.210 nan 0.000 0.421 89 A N 2.874 125.662 122.820 -0.054 0.000 1.915 89 A HA -0.136 4.184 4.320 0.000 0.000 0.220 89 A C 0.194 177.750 177.584 -0.047 0.000 1.198 89 A CA 2.184 54.190 52.037 -0.052 0.000 0.647 89 A CB -2.116 16.860 19.000 -0.041 0.000 0.825 89 A HN 0.467 nan 8.150 nan 0.000 0.456 90 P HA -0.029 nan 4.420 nan 0.000 0.226 90 P C 1.053 178.335 177.300 -0.030 0.000 1.153 90 P CA 0.621 63.705 63.100 -0.028 0.000 0.777 90 P CB -0.090 31.598 31.700 -0.019 0.000 0.794 91 L N -1.623 119.577 121.223 -0.037 0.000 2.341 91 L HA 0.080 4.420 4.340 0.000 0.000 0.214 91 L C 1.045 177.886 176.870 -0.049 0.000 1.115 91 L CA 0.383 55.203 54.840 -0.033 0.000 0.820 91 L CB -0.349 41.693 42.059 -0.028 0.000 0.944 91 L HN -0.084 nan 8.230 nan 0.000 0.452 92 I N 0.730 121.251 120.570 -0.081 0.000 2.306 92 I HA 0.298 4.469 4.170 0.000 0.000 0.288 92 I C 0.675 176.720 176.117 -0.120 0.000 1.036 92 I CA -0.313 60.898 61.300 -0.149 0.000 1.221 92 I CB 0.989 38.832 38.000 -0.262 0.000 1.385 92 I HN -0.080 nan 8.210 nan 0.000 0.472 93 G N 6.006 114.769 108.800 -0.062 0.000 2.552 93 G HA2 0.421 4.381 3.960 0.000 0.000 0.318 93 G HA3 0.421 4.381 3.960 0.000 0.000 0.318 93 G C -2.035 172.921 174.900 0.092 0.000 1.240 93 G CA -1.275 43.827 45.100 0.003 0.000 1.002 93 G HN 0.306 nan 8.290 nan 0.000 0.493 94 P HA -0.066 nan 4.420 nan 0.000 0.217 94 P C 1.571 178.975 177.300 0.173 0.000 1.151 94 P CA 1.889 65.088 63.100 0.164 0.000 0.849 94 P CB 0.200 31.944 31.700 0.073 0.000 0.787 95 G N -2.415 106.453 108.800 0.114 0.000 3.233 95 G HA2 0.022 3.982 3.960 0.000 0.000 0.234 95 G HA3 0.022 3.982 3.960 0.000 0.000 0.234 95 G C 0.115 175.076 174.900 0.102 0.000 1.137 95 G CA 0.039 45.186 45.100 0.078 0.000 0.763 95 G HN 0.148 nan 8.290 nan 0.000 0.549 96 T N 0.947 115.594 114.554 0.154 0.000 2.853 96 T HA 0.190 4.540 4.350 0.000 0.000 0.298 96 T C 0.072 174.873 174.700 0.168 0.000 0.978 96 T CA 0.048 62.213 62.100 0.108 0.000 1.152 96 T CB 1.110 69.986 68.868 0.012 0.000 0.914 96 T HN 0.159 nan 8.240 nan 0.000 0.539 97 C N 5.690 125.036 119.300 0.077 0.000 2.285 97 C HA 0.566 5.026 4.460 0.000 0.000 0.335 97 C C 0.032 175.051 174.990 0.048 0.000 1.267 97 C CA -0.600 58.449 59.018 0.051 0.000 1.762 97 C CB -0.968 26.766 27.740 -0.011 0.000 2.365 97 C HN 0.703 nan 8.230 nan 0.000 0.527 98 V N 8.054 128.004 119.914 0.061 0.000 2.318 98 V HA 0.250 4.370 4.120 0.000 0.000 0.271 98 V C 0.145 176.268 176.094 0.048 0.000 1.030 98 V CA -0.305 62.039 62.300 0.073 0.000 0.844 98 V CB 1.066 32.960 31.823 0.118 0.000 1.015 98 V HN 0.729 nan 8.190 nan 0.000 0.460 99 V N 6.318 126.276 119.914 0.074 0.000 2.408 99 V HA 0.248 4.369 4.120 0.000 0.000 0.267 99 V C 0.167 176.348 176.094 0.145 0.000 1.047 99 V CA -0.282 62.069 62.300 0.085 0.000 0.937 99 V CB 1.427 33.345 31.823 0.158 0.000 0.999 99 V HN 0.596 nan 8.190 nan 0.000 0.472 100 V N 4.977 124.974 119.914 0.137 0.000 2.328 100 V HA 0.638 4.759 4.120 0.000 0.000 0.278 100 V C 0.502 176.754 176.094 0.263 0.000 1.021 100 V CA -0.318 62.133 62.300 0.251 0.000 0.838 100 V CB 1.390 33.431 31.823 0.365 0.000 0.999 100 V HN 0.927 nan 8.190 nan 0.000 0.447 101 A N 7.132 130.087 122.820 0.225 0.000 2.938 101 A HA 0.820 5.140 4.320 0.000 0.000 0.344 101 A C -0.333 177.346 177.584 0.158 0.000 1.142 101 A CA -0.377 51.770 52.037 0.183 0.000 0.841 101 A CB 0.171 19.262 19.000 0.152 0.000 1.083 101 A HN 0.762 nan 8.150 nan 0.000 0.479 102 M N 1.017 120.720 119.600 0.172 0.000 2.716 102 M HA 0.391 4.872 4.480 0.000 0.000 0.307 102 M C -0.349 176.000 176.300 0.082 0.000 1.223 102 M CA -0.852 54.529 55.300 0.135 0.000 0.871 102 M CB 1.626 34.337 32.600 0.185 0.000 1.739 102 M HN 0.488 nan 8.290 nan 0.000 0.475 103 N N 0.626 119.358 118.700 0.053 0.000 2.513 103 N HA 0.528 5.268 4.740 0.000 0.000 0.274 103 N C 0.371 175.878 175.510 -0.004 0.000 1.189 103 N CA 0.767 53.826 53.050 0.014 0.000 0.975 103 N CB 1.081 39.571 38.487 0.005 0.000 1.157 103 N HN 0.882 nan 8.380 nan 0.000 0.465 104 G N -0.227 108.547 108.800 -0.045 0.000 2.525 104 G HA2 -0.257 3.703 3.960 0.000 0.000 0.248 104 G HA3 -0.257 3.703 3.960 0.000 0.000 0.248 104 G C -0.777 174.063 174.900 -0.100 0.000 1.238 104 G CA -0.265 44.784 45.100 -0.085 0.000 0.926 104 G HN 0.457 nan 8.290 nan 0.000 0.574 105 V N 3.344 123.183 119.914 -0.124 0.000 2.368 105 V HA 0.466 4.586 4.120 0.000 0.000 0.266 105 V C -1.455 174.556 176.094 -0.139 0.000 1.045 105 V CA -0.643 61.547 62.300 -0.184 0.000 0.899 105 V CB 1.038 32.725 31.823 -0.226 0.000 1.006 105 V HN 0.648 nan 8.190 nan 0.000 0.470 106 P HA 0.122 nan 4.420 nan 0.000 0.276 106 P C 0.371 177.472 177.300 -0.332 0.000 1.252 106 P CA -0.539 62.354 63.100 -0.345 0.000 0.802 106 P CB 0.515 31.694 31.700 -0.868 0.000 1.035 107 W N 2.319 123.538 121.300 -0.134 0.000 2.374 107 W HA -0.091 4.569 4.660 0.000 0.000 0.288 107 W C 1.309 177.890 176.519 0.103 0.000 1.218 107 W CA 0.657 58.025 57.345 0.037 0.000 1.245 107 W CB -1.269 28.271 29.460 0.133 0.000 1.126 107 W HN 0.476 nan 8.180 nan 0.000 0.545 108 W N -0.661 120.185 121.300 -0.758 0.000 3.139 108 W HA 0.135 4.795 4.660 0.000 0.000 0.260 108 W C 1.525 177.922 176.519 -0.202 0.000 1.312 108 W CA -0.220 56.763 57.345 -0.604 0.000 1.606 108 W CB -1.855 27.031 29.460 -0.958 0.000 1.118 108 W HN 0.016 nan 8.180 nan 0.000 0.675 109 F N 2.208 121.759 119.950 -0.665 0.000 2.063 109 F HA -0.301 4.226 4.527 0.000 0.000 0.297 109 F C 1.497 177.056 175.800 -0.402 0.000 1.099 109 F CA 2.415 59.997 58.000 -0.697 0.000 1.220 109 F CB -0.730 37.803 39.000 -0.779 0.000 0.972 109 F HN -0.239 nan 8.300 nan 0.000 0.487 110 F N -0.014 120.031 119.950 0.160 0.000 2.731 110 F HA 0.095 4.622 4.527 0.000 0.000 0.304 110 F C 0.652 176.478 175.800 0.043 0.000 1.133 110 F CA -0.072 57.988 58.000 0.100 0.000 1.380 110 F CB -0.480 38.597 39.000 0.129 0.000 1.079 110 F HN -0.202 nan 8.300 nan 0.000 0.550 111 D N 2.566 123.070 120.400 0.175 0.000 2.801 111 D HA 0.091 4.731 4.640 0.000 0.000 0.232 111 D C 0.480 176.815 176.300 0.058 0.000 1.128 111 D CA 0.224 54.302 54.000 0.130 0.000 1.003 111 D CB -0.080 40.807 40.800 0.144 0.000 1.110 111 D HN 0.182 nan 8.370 nan 0.000 0.477 112 R N -0.550 119.974 120.500 0.040 0.000 2.663 112 R HA 0.471 4.811 4.340 0.000 0.000 0.267 112 R C -3.533 172.774 176.300 0.012 0.000 1.038 112 R CA -1.756 54.341 56.100 -0.004 0.000 0.886 112 R CB -0.127 30.138 30.300 -0.058 0.000 1.249 112 R HN -0.248 nan 8.270 nan 0.000 0.463 113 P HA 0.422 nan 4.420 nan 0.000 0.269 113 P C -0.061 177.241 177.300 0.003 0.000 1.215 113 P CA 1.071 64.172 63.100 0.003 0.000 0.780 113 P CB 0.605 32.300 31.700 -0.008 0.000 0.898 114 G N 1.825 110.633 108.800 0.013 0.000 2.331 114 G HA2 0.040 4.000 3.960 0.000 0.000 0.402 114 G HA3 0.040 4.000 3.960 0.000 0.000 0.402 114 G C -3.205 171.716 174.900 0.036 0.000 1.275 114 G CA -1.059 44.051 45.100 0.016 0.000 1.003 114 G HN 0.350 nan 8.290 nan 0.000 0.500 115 P HA 0.427 nan 4.420 nan 0.000 0.265 115 P C 1.001 178.337 177.300 0.060 0.000 1.193 115 P CA 0.281 63.401 63.100 0.034 0.000 0.765 115 P CB 0.168 31.887 31.700 0.031 0.000 0.823 116 L N -0.773 120.426 121.223 -0.039 0.000 4.040 116 L HA -0.258 4.082 4.340 0.000 0.000 0.410 116 L C 0.746 177.582 176.870 -0.057 0.000 1.187 116 L CA 0.208 54.943 54.840 -0.174 0.000 0.956 116 L CB -1.711 40.033 42.059 -0.526 0.000 2.022 116 L HN 0.560 nan 8.230 nan 0.000 0.897 117 Q N 1.247 121.069 119.800 0.036 0.000 2.262 117 Q HA 0.251 4.591 4.340 0.000 0.000 0.298 117 Q C 1.389 177.423 176.000 0.057 0.000 1.083 117 Q CA 1.245 57.096 55.803 0.080 0.000 0.962 117 Q CB 0.396 29.162 28.738 0.046 0.000 1.104 117 Q HN 0.441 nan 8.270 nan 0.000 0.376 118 G N 3.086 111.958 108.800 0.120 0.000 2.143 118 G HA2 -0.313 3.647 3.960 0.000 0.000 0.248 118 G HA3 -0.313 3.647 3.960 0.000 0.000 0.248 118 G C -0.173 174.763 174.900 0.059 0.000 0.991 118 G CA 0.294 45.456 45.100 0.103 0.000 0.689 118 G HN 0.675 nan 8.290 nan 0.000 0.522 119 Q N 0.372 120.172 119.800 0.000 0.000 2.263 119 Q HA 0.445 4.785 4.340 0.000 0.000 0.270 119 Q C 0.778 176.791 176.000 0.023 0.000 1.104 119 Q CA 0.039 55.733 55.803 -0.182 0.000 0.909 119 Q CB 0.201 28.508 28.738 -0.717 0.000 1.214 119 Q HN 0.563 nan 8.270 nan 0.000 0.400 120 R N 3.843 124.357 120.500 0.024 0.000 2.357 120 R HA 0.421 4.762 4.340 0.000 0.000 0.296 120 R C -0.922 175.422 176.300 0.074 0.000 1.052 120 R CA -0.367 55.799 56.100 0.109 0.000 0.988 120 R CB 0.533 30.897 30.300 0.106 0.000 1.025 120 R HN 0.666 nan 8.270 nan 0.000 0.469 121 L N 4.303 125.608 121.223 0.136 0.000 2.307 121 L HA 0.246 4.586 4.340 0.000 0.000 0.284 121 L C 0.969 177.904 176.870 0.109 0.000 1.023 121 L CA -0.817 54.101 54.840 0.129 0.000 0.810 121 L CB 2.081 44.236 42.059 0.161 0.000 1.231 121 L HN 0.675 nan 8.230 nan 0.000 0.423 122 Q N 2.044 121.897 119.800 0.089 0.000 2.297 122 Q HA -0.045 4.295 4.340 0.000 0.000 0.204 122 Q C 1.846 177.877 176.000 0.052 0.000 0.962 122 Q CA 1.090 56.921 55.803 0.047 0.000 0.879 122 Q CB 0.103 28.857 28.738 0.027 0.000 0.947 122 Q HN 0.846 nan 8.270 nan 0.000 0.462 123 A N 0.078 122.942 122.820 0.074 0.000 2.168 123 A HA 0.019 4.339 4.320 0.000 0.000 0.215 123 A C 1.994 179.630 177.584 0.086 0.000 1.152 123 A CA 0.882 52.965 52.037 0.077 0.000 0.716 123 A CB 0.166 19.212 19.000 0.078 0.000 0.794 123 A HN 0.182 nan 8.150 nan 0.000 0.465 124 V N -1.469 118.506 119.914 0.100 0.000 3.058 124 V HA 0.146 4.267 4.120 0.000 0.000 0.233 124 V C 0.176 176.343 176.094 0.122 0.000 1.255 124 V CA 0.969 63.343 62.300 0.124 0.000 1.267 124 V CB 0.424 32.345 31.823 0.163 0.000 1.049 124 V HN 0.445 nan 8.190 nan 0.000 0.486 125 D N -0.004 120.469 120.400 0.121 0.000 2.735 125 D HA 0.257 4.897 4.640 0.000 0.000 0.291 125 D C -1.783 174.555 176.300 0.062 0.000 1.205 125 D CA -1.494 52.565 54.000 0.098 0.000 0.777 125 D CB 1.329 42.213 40.800 0.139 0.000 1.234 125 D HN 0.134 nan 8.370 nan 0.000 0.520 126 P HA -0.144 nan 4.420 nan 0.000 0.216 126 P C 0.755 177.918 177.300 -0.229 0.000 1.150 126 P CA 1.191 64.213 63.100 -0.129 0.000 0.837 126 P CB 0.197 31.764 31.700 -0.221 0.000 0.786 127 H N -2.045 117.041 119.070 0.025 0.000 2.586 127 H HA 0.276 4.832 4.556 0.000 0.000 0.273 127 H C 1.318 176.657 175.328 0.019 0.000 0.997 127 H CA 0.713 56.772 56.048 0.018 0.000 1.177 127 H CB 0.135 29.901 29.762 0.006 0.000 1.471 127 H HN 0.185 nan 8.280 nan 0.000 0.538 128 G N 2.000 110.868 108.800 0.113 0.000 2.153 128 G HA2 -0.368 3.592 3.960 0.000 0.000 0.252 128 G HA3 -0.368 3.592 3.960 0.000 0.000 0.252 128 G C 1.310 176.237 174.900 0.045 0.000 0.994 128 G CA 0.557 45.707 45.100 0.084 0.000 0.698 128 G HN 0.395 nan 8.290 nan 0.000 0.521 129 R N -0.577 119.943 120.500 0.033 0.000 2.153 129 R HA 0.227 4.567 4.340 0.000 0.000 0.218 129 R C 2.572 178.808 176.300 -0.107 0.000 1.072 129 R CA 1.274 57.361 56.100 -0.021 0.000 0.990 129 R CB -0.137 30.152 30.300 -0.018 0.000 0.889 129 R HN 0.581 nan 8.270 nan 0.000 0.452 130 I N 0.241 120.694 120.570 -0.194 0.000 2.286 130 I HA -0.151 4.020 4.170 0.000 0.000 0.245 130 I C 2.482 178.317 176.117 -0.471 0.000 1.104 130 I CA 1.020 62.045 61.300 -0.457 0.000 1.397 130 I CB -0.322 37.242 38.000 -0.727 0.000 1.072 130 I HN 0.123 nan 8.210 nan 0.000 0.417 131 A N 0.088 122.763 122.820 -0.242 0.000 1.969 131 A HA -0.246 4.074 4.320 0.000 0.000 0.218 131 A C 2.333 179.969 177.584 0.087 0.000 1.169 131 A CA 1.547 53.627 52.037 0.071 0.000 0.635 131 A CB -0.595 18.548 19.000 0.238 0.000 0.810 131 A HN 0.516 nan 8.150 nan 0.000 0.445 132 Q N -0.625 119.189 119.800 0.024 0.000 2.083 132 Q HA -0.059 4.281 4.340 0.000 0.000 0.198 132 Q C 2.088 178.096 176.000 0.013 0.000 0.969 132 Q CA 1.357 57.179 55.803 0.031 0.000 0.838 132 Q CB -0.248 28.500 28.738 0.016 0.000 0.900 132 Q HN 0.587 nan 8.270 nan 0.000 0.436 133 A N 0.210 123.007 122.820 -0.039 0.000 2.021 133 A HA 0.133 4.453 4.320 0.000 0.000 0.216 133 A C 0.967 178.526 177.584 -0.041 0.000 1.163 133 A CA 0.407 52.411 52.037 -0.054 0.000 0.676 133 A CB 0.258 19.200 19.000 -0.096 0.000 0.818 133 A HN 0.373 nan 8.150 nan 0.000 0.453 134 I N 0.710 121.272 120.570 -0.013 0.000 2.698 134 I HA 0.240 4.411 4.170 0.000 0.000 0.276 134 I C -2.877 173.424 176.117 0.306 0.000 1.166 134 I CA -2.039 59.331 61.300 0.117 0.000 1.101 134 I CB 1.665 39.753 38.000 0.147 0.000 1.305 134 I HN -0.067 nan 8.210 nan 0.000 0.526 135 P HA 0.048 nan 4.420 nan 0.000 0.266 135 P C 0.944 178.429 177.300 0.309 0.000 1.195 135 P CA 0.255 63.537 63.100 0.303 0.000 0.768 135 P CB 0.668 32.536 31.700 0.281 0.000 0.838 136 T N 2.158 116.851 114.554 0.231 0.000 2.929 136 T HA -0.156 4.194 4.350 0.000 0.000 0.271 136 T C 1.582 176.266 174.700 -0.026 0.000 1.085 136 T CA 1.091 63.255 62.100 0.106 0.000 1.125 136 T CB -0.367 68.556 68.868 0.091 0.000 0.874 136 T HN 0.546 nan 8.240 nan 0.000 0.494 137 R N 0.734 121.205 120.500 -0.048 0.000 2.193 137 R HA -0.082 4.258 4.340 0.000 0.000 0.229 137 R C 1.654 177.810 176.300 -0.241 0.000 1.110 137 R CA 1.307 57.305 56.100 -0.170 0.000 0.988 137 R CB -0.650 29.522 30.300 -0.214 0.000 0.871 137 R HN 0.478 nan 8.270 nan 0.000 0.458 138 H N 0.514 119.567 119.070 -0.028 0.000 2.535 138 H HA 0.176 4.733 4.556 0.000 0.000 0.273 138 H C 0.237 175.516 175.328 -0.082 0.000 0.983 138 H CA 0.310 56.339 56.048 -0.032 0.000 1.238 138 H CB 0.416 30.189 29.762 0.018 0.000 1.412 138 H HN -0.032 nan 8.280 nan 0.000 0.562 139 V N 2.541 122.414 119.914 -0.067 0.000 2.498 139 V HA 0.066 4.186 4.120 0.000 0.000 0.279 139 V C 0.056 175.926 176.094 -0.372 0.000 1.048 139 V CA -0.415 61.728 62.300 -0.261 0.000 0.967 139 V CB 1.755 33.230 31.823 -0.581 0.000 0.988 139 V HN 0.016 nan 8.190 nan 0.000 0.473 140 L N 4.602 125.639 121.223 -0.310 0.000 2.313 140 L HA 0.780 5.120 4.340 0.000 0.000 0.283 140 L C 0.602 177.271 176.870 -0.335 0.000 1.013 140 L CA 0.283 54.934 54.840 -0.314 0.000 0.816 140 L CB 1.390 43.336 42.059 -0.187 0.000 1.236 140 L HN 0.722 nan 8.230 nan 0.000 0.419 141 G N 2.948 111.500 108.800 -0.414 0.000 2.467 141 G HA2 0.419 4.379 3.960 0.000 0.000 0.257 141 G HA3 0.419 4.379 3.960 0.000 0.000 0.257 141 G C -1.097 173.853 174.900 0.084 0.000 1.227 141 G CA -0.231 44.808 45.100 -0.103 0.000 0.835 141 G HN 0.759 nan 8.290 nan 0.000 0.556 142 C N 2.504 121.921 119.300 0.194 0.000 2.516 142 C HA 0.581 5.041 4.460 0.000 0.000 0.338 142 C C -0.516 174.564 174.990 0.150 0.000 1.132 142 C CA -0.560 58.558 59.018 0.166 0.000 1.310 142 C CB 0.361 28.217 27.740 0.194 0.000 1.898 142 C HN 0.577 nan 8.230 nan 0.000 0.452 143 V N 6.920 126.895 119.914 0.102 0.000 2.370 143 V HA 0.440 4.560 4.120 0.000 0.000 0.279 143 V C 0.082 176.120 176.094 -0.092 0.000 1.029 143 V CA -0.380 61.918 62.300 -0.002 0.000 0.870 143 V CB 1.524 33.340 31.823 -0.012 0.000 0.984 143 V HN 0.707 nan 8.190 nan 0.000 0.451 144 V N 5.045 124.878 119.914 -0.135 0.000 2.407 144 V HA 0.334 4.454 4.120 0.000 0.000 0.278 144 V C 0.669 176.611 176.094 -0.253 0.000 1.037 144 V CA -0.381 61.857 62.300 -0.104 0.000 0.900 144 V CB 0.965 32.775 31.823 -0.022 0.000 0.983 144 V HN 0.889 nan 8.190 nan 0.000 0.459 145 H N 3.599 122.710 119.070 0.069 0.000 2.827 145 H HA 0.255 4.811 4.556 0.000 0.000 0.269 145 H C 0.399 175.740 175.328 0.022 0.000 1.031 145 H CA -0.092 55.988 56.048 0.053 0.000 1.202 145 H CB 0.912 30.718 29.762 0.074 0.000 1.511 145 H HN 0.597 nan 8.280 nan 0.000 0.517 146 L N 0.951 122.229 121.223 0.093 0.000 2.456 146 L HA 0.471 4.811 4.340 0.000 0.000 0.257 146 L C 0.522 177.346 176.870 -0.077 0.000 1.162 146 L CA -0.475 54.373 54.840 0.013 0.000 0.808 146 L CB 0.804 42.871 42.059 0.013 0.000 1.136 146 L HN -0.052 nan 8.230 nan 0.000 0.466 147 T N -0.859 113.595 114.554 -0.167 0.000 2.856 147 T HA 0.813 5.164 4.350 0.000 0.000 0.283 147 T C -0.249 174.256 174.700 -0.325 0.000 1.008 147 T CA -0.262 61.718 62.100 -0.201 0.000 0.997 147 T CB 1.060 69.825 68.868 -0.172 0.000 0.992 147 T HN 1.221 nan 8.240 nan 0.000 0.454 148 C N -0.145 119.012 119.300 -0.237 0.000 3.295 148 C HA 1.020 5.480 4.460 0.000 0.000 0.341 148 C C -0.651 174.267 174.990 -0.120 0.000 1.418 148 C CA -0.847 58.040 59.018 -0.218 0.000 1.240 148 C CB 0.883 28.479 27.740 -0.240 0.000 1.562 148 C HN 1.452 nan 8.230 nan 0.000 0.457 149 A N -0.236 122.529 122.820 -0.092 0.000 2.556 149 A HA 0.844 5.164 4.320 0.000 0.000 0.294 149 A C -0.585 176.963 177.584 -0.059 0.000 1.091 149 A CA -0.049 51.949 52.037 -0.065 0.000 0.704 149 A CB 1.385 20.345 19.000 -0.067 0.000 1.300 149 A HN 1.457 nan 8.150 nan 0.000 0.406 150 T N 1.584 116.114 114.554 -0.040 0.000 2.811 150 T HA 0.382 4.732 4.350 0.000 0.000 0.309 150 T C 1.254 175.925 174.700 -0.048 0.000 1.005 150 T CA -0.066 62.011 62.100 -0.037 0.000 0.955 150 T CB -0.395 68.472 68.868 -0.001 0.000 0.970 150 T HN 0.520 nan 8.240 nan 0.000 0.496 151 V N 4.572 124.419 119.914 -0.112 0.000 2.232 151 V HA -0.040 4.081 4.120 0.000 0.000 0.241 151 V C 1.387 177.501 176.094 0.033 0.000 1.036 151 V CA 2.068 64.330 62.300 -0.064 0.000 0.993 151 V CB -0.342 31.398 31.823 -0.138 0.000 0.639 151 V HN 0.988 nan 8.190 nan 0.000 0.459 152 S N -1.063 114.697 115.700 0.100 0.000 2.570 152 S HA 0.583 5.053 4.470 0.000 0.000 0.286 152 S C -3.070 171.594 174.600 0.108 0.000 1.099 152 S CA -1.688 56.572 58.200 0.101 0.000 0.913 152 S CB 1.720 64.990 63.200 0.117 0.000 1.085 152 S HN 0.213 nan 8.310 nan 0.000 0.480 153 P HA 0.130 nan 4.420 nan 0.000 0.260 153 P C 1.108 178.461 177.300 0.088 0.000 1.147 153 P CA 2.057 65.198 63.100 0.069 0.000 0.758 153 P CB -0.266 31.466 31.700 0.054 0.000 0.744 154 G N 1.479 110.330 108.800 0.086 0.000 2.168 154 G HA2 -0.276 3.684 3.960 0.000 0.000 0.263 154 G HA3 -0.276 3.684 3.960 0.000 0.000 0.263 154 G C 0.049 175.044 174.900 0.158 0.000 0.977 154 G CA 0.181 45.339 45.100 0.096 0.000 0.659 154 G HN 0.852 nan 8.290 nan 0.000 0.533 155 H N -0.027 119.068 119.070 0.042 0.000 2.727 155 H HA 0.575 5.131 4.556 0.000 0.000 0.330 155 H C -0.760 174.606 175.328 0.062 0.000 0.986 155 H CA -1.196 54.882 56.048 0.050 0.000 1.251 155 H CB 0.698 30.485 29.762 0.042 0.000 1.493 155 H HN 0.027 nan 8.280 nan 0.000 0.515 156 I N 5.204 125.739 120.570 -0.059 0.000 2.377 156 I HA 0.318 4.488 4.170 0.000 0.000 0.293 156 I C 0.274 176.298 176.117 -0.156 0.000 0.987 156 I CA -0.484 60.773 61.300 -0.072 0.000 1.185 156 I CB 1.412 39.476 38.000 0.106 0.000 1.341 156 I HN 0.563 nan 8.210 nan 0.000 0.455 157 R N 4.301 124.705 120.500 -0.160 0.000 2.288 157 R HA 0.240 4.580 4.340 0.000 0.000 0.326 157 R C -0.060 176.240 176.300 -0.000 0.000 0.959 157 R CA -0.640 55.410 56.100 -0.084 0.000 0.834 157 R CB 1.129 31.345 30.300 -0.141 0.000 1.157 157 R HN 0.591 nan 8.270 nan 0.000 0.470 158 H N 2.360 121.425 119.070 -0.007 0.000 2.803 158 H HA 0.044 4.600 4.556 0.000 0.000 0.330 158 H C 0.323 175.599 175.328 -0.087 0.000 1.057 158 H CA 0.687 56.682 56.048 -0.087 0.000 1.458 158 H CB 1.311 31.088 29.762 0.026 0.000 1.470 158 H HN 0.806 nan 8.280 nan 0.000 0.560 159 G N 4.056 112.427 108.800 -0.716 0.000 2.648 159 G HA2 -0.122 3.838 3.960 0.000 0.000 0.217 159 G HA3 -0.122 3.838 3.960 0.000 0.000 0.217 159 G C -0.078 174.400 174.900 -0.703 0.000 1.386 159 G CA 0.160 44.942 45.100 -0.530 0.000 0.920 159 G HN 0.640 nan 8.290 nan 0.000 0.540 160 N N -1.915 116.371 118.700 -0.690 0.000 2.405 160 N HA 0.512 5.252 4.740 0.000 0.000 0.274 160 N C -0.437 175.013 175.510 -0.100 0.000 1.170 160 N CA 0.825 53.674 53.050 -0.335 0.000 0.848 160 N CB 1.652 40.070 38.487 -0.115 0.000 1.629 160 N HN 1.185 nan 8.380 nan 0.000 0.481 161 G N 1.414 110.319 108.800 0.175 0.000 2.619 161 G HA2 0.004 3.964 3.960 0.000 0.000 0.686 161 G HA3 0.004 3.964 3.960 0.000 0.000 0.686 161 G C -0.619 174.423 174.900 0.237 0.000 1.256 161 G CA -0.648 44.553 45.100 0.169 0.000 0.826 161 G HN 0.517 nan 8.290 nan 0.000 0.619 162 R N -0.574 120.021 120.500 0.158 0.000 2.539 162 R HA 0.145 4.485 4.340 0.000 0.000 0.342 162 R C 1.039 177.427 176.300 0.147 0.000 0.941 162 R CA -0.271 55.922 56.100 0.155 0.000 1.146 162 R CB 0.656 31.024 30.300 0.113 0.000 1.541 162 R HN 0.618 nan 8.270 nan 0.000 0.525 163 R N 1.300 121.888 120.500 0.147 0.000 2.298 163 R HA 0.296 4.636 4.340 0.000 0.000 0.310 163 R C -0.963 175.452 176.300 0.191 0.000 1.068 163 R CA -0.089 56.109 56.100 0.165 0.000 0.957 163 R CB 0.424 30.825 30.300 0.168 0.000 1.003 163 R HN -0.207 nan 8.270 nan 0.000 0.454 164 L N 5.517 126.852 121.223 0.187 0.000 2.409 164 L HA 0.525 4.865 4.340 0.000 0.000 0.262 164 L C -0.843 176.139 176.870 0.186 0.000 0.992 164 L CA -0.597 54.352 54.840 0.182 0.000 0.817 164 L CB 2.251 44.435 42.059 0.210 0.000 1.350 164 L HN 0.592 nan 8.230 nan 0.000 0.411 165 I N 3.813 124.485 120.570 0.169 0.000 2.378 165 I HA 0.472 4.642 4.170 0.000 0.000 0.291 165 I C -0.754 175.433 176.117 0.115 0.000 0.992 165 I CA -0.500 60.888 61.300 0.146 0.000 1.154 165 I CB 1.498 39.601 38.000 0.170 0.000 1.315 165 I HN 0.293 nan 8.210 nan 0.000 0.448 166 L N 5.289 126.559 121.223 0.078 0.000 2.334 166 L HA 0.932 5.272 4.340 0.000 0.000 0.273 166 L C 0.254 177.125 176.870 0.001 0.000 1.013 166 L CA -0.462 54.398 54.840 0.033 0.000 0.816 166 L CB 2.016 44.063 42.059 -0.020 0.000 1.278 166 L HN 0.753 nan 8.230 nan 0.000 0.431 167 G N 0.506 109.287 108.800 -0.031 0.000 2.632 167 G HA2 0.362 4.323 3.960 0.000 0.000 0.292 167 G HA3 0.362 4.323 3.960 0.000 0.000 0.292 167 G C -1.675 173.146 174.900 -0.133 0.000 1.465 167 G CA -0.560 44.506 45.100 -0.057 0.000 0.824 167 G HN 0.321 nan 8.290 nan 0.000 0.509 168 E N 1.341 121.459 120.200 -0.137 0.000 2.259 168 E HA 0.183 4.533 4.350 0.000 0.000 0.281 168 E C -1.532 174.950 176.600 -0.197 0.000 1.037 168 E CA -1.528 54.760 56.400 -0.187 0.000 0.854 168 E CB 2.208 31.825 29.700 -0.138 0.000 1.051 168 E HN 0.076 nan 8.360 nan 0.000 0.409 169 P HA -0.230 nan 4.420 nan 0.000 0.216 169 P C 1.001 178.245 177.300 -0.092 0.000 1.157 169 P CA 1.937 64.909 63.100 -0.213 0.000 0.880 169 P CB 0.258 31.747 31.700 -0.352 0.000 0.791 170 A N -1.439 121.317 122.820 -0.106 0.000 2.066 170 A HA 0.366 4.686 4.320 0.000 0.000 0.218 170 A C 1.171 178.712 177.584 -0.071 0.000 1.157 170 A CA 1.242 53.235 52.037 -0.073 0.000 0.670 170 A CB -1.092 17.866 19.000 -0.070 0.000 0.804 170 A HN 0.388 nan 8.150 nan 0.000 0.453 171 G N -3.430 105.321 108.800 -0.081 0.000 2.570 171 G HA2 0.492 4.452 3.960 0.000 0.000 0.686 171 G HA3 0.492 4.452 3.960 0.000 0.000 0.686 171 G C 0.642 175.503 174.900 -0.065 0.000 1.257 171 G CA -0.111 44.947 45.100 -0.070 0.000 0.846 171 G HN 2.385 nan 8.290 nan 0.000 0.627 172 G N -0.727 108.039 108.800 -0.057 0.000 2.750 172 G HA2 0.437 4.397 3.960 0.000 0.000 0.228 172 G HA3 0.437 4.397 3.960 0.000 0.000 0.228 172 G C 0.688 175.554 174.900 -0.056 0.000 1.367 172 G CA 1.073 46.143 45.100 -0.051 0.000 0.871 172 G HN 2.681 nan 8.290 nan 0.000 0.560 173 A N -0.657 122.133 122.820 -0.051 0.000 2.242 173 A HA 1.067 5.387 4.320 0.000 0.000 0.304 173 A C 0.744 178.293 177.584 -0.059 0.000 1.100 173 A CA 1.050 53.055 52.037 -0.053 0.000 0.860 173 A CB 1.200 20.174 19.000 -0.044 0.000 1.168 173 A HN 2.695 nan 8.150 nan 0.000 0.503 174 S N -1.493 114.169 115.700 -0.062 0.000 2.587 174 S HA 0.577 5.048 4.470 0.000 0.000 0.269 174 S C -2.735 171.829 174.600 -0.061 0.000 1.154 174 S CA -0.648 57.514 58.200 -0.064 0.000 0.824 174 S CB 0.864 64.019 63.200 -0.077 0.000 1.118 174 S HN 0.253 nan 8.310 nan 0.000 0.462 175 P HA -0.065 nan 4.420 nan 0.000 0.216 175 P C 1.566 178.828 177.300 -0.064 0.000 1.153 175 P CA 1.391 64.459 63.100 -0.053 0.000 0.848 175 P CB -0.108 31.565 31.700 -0.046 0.000 0.787 176 R N -0.475 119.981 120.500 -0.073 0.000 2.148 176 R HA -0.029 4.311 4.340 0.000 0.000 0.223 176 R C 2.035 178.267 176.300 -0.113 0.000 1.088 176 R CA 0.848 56.896 56.100 -0.086 0.000 0.985 176 R CB -1.497 28.753 30.300 -0.083 0.000 0.880 176 R HN 0.105 nan 8.270 nan 0.000 0.451 177 L N 1.357 122.514 121.223 -0.109 0.000 2.046 177 L HA -0.006 4.334 4.340 0.000 0.000 0.208 177 L C 2.465 179.266 176.870 -0.114 0.000 1.077 177 L CA 2.067 56.835 54.840 -0.120 0.000 0.747 177 L CB -0.659 41.340 42.059 -0.100 0.000 0.896 177 L HN 0.314 nan 8.230 nan 0.000 0.432 178 A N -1.100 121.668 122.820 -0.086 0.000 1.930 178 A HA -0.172 4.148 4.320 0.000 0.000 0.217 178 A C 2.490 180.027 177.584 -0.079 0.000 1.175 178 A CA 1.835 53.830 52.037 -0.071 0.000 0.627 178 A CB -1.030 17.939 19.000 -0.051 0.000 0.815 178 A HN 0.648 nan 8.150 nan 0.000 0.443 179 S N -0.120 115.528 115.700 -0.086 0.000 2.368 179 S HA -0.094 4.376 4.470 0.000 0.000 0.224 179 S C 1.843 176.367 174.600 -0.126 0.000 1.029 179 S CA 1.392 59.542 58.200 -0.083 0.000 0.988 179 S CB -0.642 62.518 63.200 -0.068 0.000 0.838 179 S HN 0.373 nan 8.310 nan 0.000 0.462 180 I N 2.429 122.880 120.570 -0.199 0.000 2.252 180 I HA -0.051 4.120 4.170 0.000 0.000 0.245 180 I C 2.996 178.834 176.117 -0.464 0.000 1.102 180 I CA 1.090 62.161 61.300 -0.381 0.000 1.385 180 I CB -0.545 37.174 38.000 -0.468 0.000 1.064 180 I HN 0.432 nan 8.210 nan 0.000 0.414 181 A N 0.446 123.097 122.820 -0.280 0.000 1.933 181 A HA -0.182 4.138 4.320 0.000 0.000 0.218 181 A C 2.497 180.055 177.584 -0.043 0.000 1.175 181 A CA 1.916 53.865 52.037 -0.146 0.000 0.628 181 A CB -0.893 18.060 19.000 -0.078 0.000 0.814 181 A HN 0.425 nan 8.150 nan 0.000 0.444 182 A N -0.620 122.170 122.820 -0.049 0.000 1.897 182 A HA 0.056 4.377 4.320 0.000 0.000 0.215 182 A C 2.117 179.718 177.584 0.028 0.000 1.181 182 A CA 1.557 53.591 52.037 -0.005 0.000 0.620 182 A CB -0.580 18.410 19.000 -0.017 0.000 0.821 182 A HN 0.682 nan 8.150 nan 0.000 0.443 183 L N -1.299 119.932 121.223 0.014 0.000 2.017 183 L HA -0.107 4.233 4.340 0.000 0.000 0.208 183 L C 2.145 179.165 176.870 0.251 0.000 1.073 183 L CA 2.045 56.941 54.840 0.093 0.000 0.745 183 L CB -0.696 41.403 42.059 0.067 0.000 0.894 183 L HN 0.318 nan 8.230 nan 0.000 0.432 184 F N 0.418 120.363 119.950 -0.007 0.000 2.134 184 F HA 0.007 4.534 4.527 0.000 0.000 0.299 184 F C 2.563 178.360 175.800 -0.004 0.000 1.097 184 F CA 0.761 58.759 58.000 -0.004 0.000 1.264 184 F CB -1.827 37.180 39.000 0.011 0.000 1.001 184 F HN 0.207 nan 8.300 nan 0.000 0.479 185 G N 0.056 108.975 108.800 0.197 0.000 2.513 185 G HA2 -0.299 3.661 3.960 0.000 0.000 0.219 185 G HA3 -0.299 3.661 3.960 0.000 0.000 0.219 185 G C 1.930 176.869 174.900 0.064 0.000 1.160 185 G CA 0.801 45.962 45.100 0.102 0.000 0.767 185 G HN 0.263 nan 8.290 nan 0.000 0.571 186 R N 0.414 120.950 120.500 0.060 0.000 2.152 186 R HA 0.065 4.406 4.340 0.000 0.000 0.232 186 R C 2.610 178.917 176.300 0.011 0.000 1.117 186 R CA 0.851 56.970 56.100 0.031 0.000 0.981 186 R CB -0.193 30.124 30.300 0.029 0.000 0.870 186 R HN 0.367 nan 8.270 nan 0.000 0.451 187 A N -0.109 122.720 122.820 0.015 0.000 2.251 187 A HA 0.249 4.570 4.320 0.000 0.000 0.209 187 A C 1.289 178.828 177.584 -0.074 0.000 1.187 187 A CA 0.682 52.690 52.037 -0.049 0.000 0.823 187 A CB 0.062 19.013 19.000 -0.082 0.000 0.846 187 A HN 0.423 nan 8.150 nan 0.000 0.486 188 G N -1.443 107.343 108.800 -0.024 0.000 2.157 188 G HA2 -0.193 3.767 3.960 0.000 0.000 0.239 188 G HA3 -0.193 3.767 3.960 0.000 0.000 0.239 188 G C -0.008 174.900 174.900 0.013 0.000 0.982 188 G CA 0.202 45.291 45.100 -0.018 0.000 0.650 188 G HN 0.418 nan 8.290 nan 0.000 0.527 189 L N 0.628 121.872 121.223 0.034 0.000 2.375 189 L HA 0.489 4.829 4.340 0.000 0.000 0.271 189 L C 0.641 177.573 176.870 0.103 0.000 1.107 189 L CA -0.658 54.231 54.840 0.081 0.000 0.806 189 L CB 1.072 43.180 42.059 0.082 0.000 1.146 189 L HN -0.019 nan 8.230 nan 0.000 0.447 190 Q N 2.968 122.833 119.800 0.108 0.000 2.681 190 Q HA 0.330 4.670 4.340 0.000 0.000 0.222 190 Q C -0.340 175.733 176.000 0.121 0.000 1.258 190 Q CA -0.244 55.618 55.803 0.098 0.000 1.014 190 Q CB 1.190 29.979 28.738 0.086 0.000 1.384 190 Q HN 0.627 nan 8.270 nan 0.000 0.570 191 A N 3.227 126.128 122.820 0.134 0.000 2.343 191 A HA 0.304 4.624 4.320 0.000 0.000 0.305 191 A C 0.133 177.775 177.584 0.096 0.000 1.308 191 A CA -0.317 51.813 52.037 0.154 0.000 0.949 191 A CB 0.303 19.424 19.000 0.202 0.000 1.148 191 A HN 0.490 nan 8.150 nan 0.000 0.545 192 E N 0.881 121.138 120.200 0.096 0.000 2.280 192 E HA 0.438 4.788 4.350 0.000 0.000 0.264 192 E C -0.933 175.696 176.600 0.048 0.000 1.064 192 E CA -0.494 55.945 56.400 0.064 0.000 0.900 192 E CB 1.424 31.166 29.700 0.071 0.000 1.123 192 E HN 0.633 nan 8.360 nan 0.000 0.418 193 C N 1.530 120.844 119.300 0.024 0.000 2.345 193 C HA 0.424 4.885 4.460 0.000 0.000 0.323 193 C C 0.386 175.380 174.990 0.006 0.000 1.276 193 C CA -0.560 58.462 59.018 0.006 0.000 1.543 193 C CB 0.894 28.625 27.740 -0.015 0.000 2.211 193 C HN 0.623 nan 8.230 nan 0.000 0.493 194 S N 1.294 116.999 115.700 0.008 0.000 2.616 194 S HA 0.234 4.704 4.470 0.000 0.000 0.277 194 S C 0.934 175.524 174.600 -0.016 0.000 1.234 194 S CA -0.305 57.897 58.200 0.004 0.000 1.028 194 S CB 0.735 63.948 63.200 0.023 0.000 0.988 194 S HN 0.794 nan 8.310 nan 0.000 0.522 195 E N 1.447 121.634 120.200 -0.022 0.000 2.230 195 E HA 0.196 4.547 4.350 0.000 0.000 0.192 195 E C 0.151 176.728 176.600 -0.039 0.000 0.987 195 E CA 0.418 56.798 56.400 -0.032 0.000 0.841 195 E CB 0.274 29.954 29.700 -0.033 0.000 0.783 195 E HN 0.563 nan 8.360 nan 0.000 0.481 196 A N 0.923 123.722 122.820 -0.034 0.000 2.768 196 A HA 0.226 4.546 4.320 0.000 0.000 0.298 196 A C 0.211 177.776 177.584 -0.031 0.000 1.159 196 A CA -0.476 51.532 52.037 -0.049 0.000 0.783 196 A CB 0.182 19.145 19.000 -0.061 0.000 1.333 196 A HN 0.126 nan 8.150 nan 0.000 0.412 197 I N 1.326 121.889 120.570 -0.011 0.000 2.423 197 I HA -0.224 3.946 4.170 0.000 0.000 0.254 197 I C 2.085 178.228 176.117 0.043 0.000 1.151 197 I CA 1.902 63.232 61.300 0.051 0.000 1.421 197 I CB -0.045 38.020 38.000 0.107 0.000 1.079 197 I HN 0.732 nan 8.210 nan 0.000 0.431 198 Q N 0.074 119.806 119.800 -0.113 0.000 2.181 198 Q HA -0.163 4.177 4.340 0.000 0.000 0.205 198 Q C 2.275 178.320 176.000 0.075 0.000 0.980 198 Q CA 1.482 57.108 55.803 -0.295 0.000 0.862 198 Q CB -0.276 27.969 28.738 -0.822 0.000 0.905 198 Q HN 0.429 nan 8.270 nan 0.000 0.429 199 R N 0.349 120.884 120.500 0.057 0.000 2.081 199 R HA -0.119 4.221 4.340 0.000 0.000 0.235 199 R C 1.382 177.827 176.300 0.242 0.000 1.131 199 R CA 1.697 57.881 56.100 0.141 0.000 0.960 199 R CB -0.332 29.994 30.300 0.043 0.000 0.856 199 R HN 0.452 nan 8.270 nan 0.000 0.436 200 D N 0.481 121.001 120.400 0.200 0.000 2.149 200 D HA -0.057 4.584 4.640 0.000 0.000 0.201 200 D C 1.909 178.397 176.300 0.313 0.000 0.972 200 D CA 0.774 54.929 54.000 0.258 0.000 0.835 200 D CB -0.061 40.861 40.800 0.202 0.000 0.966 200 D HN 0.144 nan 8.370 nan 0.000 0.476 201 I N 0.020 120.758 120.570 0.280 0.000 2.179 201 I HA -0.231 3.940 4.170 0.000 0.000 0.242 201 I C 2.173 178.471 176.117 0.301 0.000 1.088 201 I CA 0.918 62.379 61.300 0.269 0.000 1.357 201 I CB -0.182 38.005 38.000 0.311 0.000 1.051 201 I HN 0.284 nan 8.210 nan 0.000 0.409 202 W N 0.858 122.295 121.300 0.228 0.000 2.363 202 W HA -0.267 4.393 4.660 0.000 0.000 0.296 202 W C 2.506 179.159 176.519 0.223 0.000 1.212 202 W CA 1.310 58.764 57.345 0.182 0.000 1.260 202 W CB -0.225 29.341 29.460 0.178 0.000 1.131 202 W HN 0.131 nan 8.180 nan 0.000 0.530 203 F N 1.609 121.718 119.950 0.264 0.000 2.186 203 F HA -0.138 4.389 4.527 0.000 0.000 0.299 203 F C 2.539 178.487 175.800 0.247 0.000 1.090 203 F CA 2.079 60.222 58.000 0.239 0.000 1.307 203 F CB -0.613 38.505 39.000 0.195 0.000 1.019 203 F HN -0.322 nan 8.300 nan 0.000 0.489 204 K N 0.075 120.627 120.400 0.253 0.000 2.057 204 K HA -0.175 4.145 4.320 0.000 0.000 0.206 204 K C 2.122 178.690 176.600 -0.054 0.000 1.050 204 K CA 1.375 57.735 56.287 0.121 0.000 0.935 204 K CB -0.513 32.084 32.500 0.162 0.000 0.715 204 K HN 0.299 nan 8.250 nan 0.000 0.439 205 L N 0.731 121.888 121.223 -0.110 0.000 1.970 205 L HA -0.199 4.142 4.340 0.000 0.000 0.212 205 L C 2.056 178.763 176.870 -0.272 0.000 1.071 205 L CA 1.993 56.676 54.840 -0.260 0.000 0.751 205 L CB -0.980 40.786 42.059 -0.487 0.000 0.889 205 L HN 0.399 nan 8.230 nan 0.000 0.432 206 W N 0.466 121.468 121.300 -0.497 0.000 2.290 206 W HA -0.247 4.413 4.660 0.000 0.000 0.318 206 W C 2.087 178.406 176.519 -0.333 0.000 1.248 206 W CA 2.527 59.626 57.345 -0.410 0.000 1.263 206 W CB -0.786 28.477 29.460 -0.329 0.000 1.147 206 W HN 0.254 nan 8.180 nan 0.000 0.494 207 G N -1.205 107.337 108.800 -0.429 0.000 3.042 207 G HA2 -0.072 3.889 3.960 0.000 0.000 0.212 207 G HA3 -0.072 3.889 3.960 0.000 0.000 0.212 207 G C 1.201 175.896 174.900 -0.342 0.000 1.166 207 G CA 0.502 45.277 45.100 -0.541 0.000 0.767 207 G HN 0.389 nan 8.290 nan 0.000 0.546 208 N N -0.290 118.253 118.700 -0.262 0.000 2.382 208 N HA 0.069 4.809 4.740 0.000 0.000 0.200 208 N C 1.861 177.256 175.510 -0.191 0.000 1.122 208 N CA -0.228 52.708 53.050 -0.190 0.000 0.870 208 N CB 0.091 38.499 38.487 -0.132 0.000 1.176 208 N HN 0.173 nan 8.380 nan 0.000 0.474 209 M N 1.474 120.941 119.600 -0.223 0.000 2.446 209 M HA -0.060 4.420 4.480 0.000 0.000 0.263 209 M C 0.831 177.005 176.300 -0.210 0.000 1.066 209 M CA 1.282 56.456 55.300 -0.211 0.000 1.087 209 M CB -0.095 32.353 32.600 -0.252 0.000 1.406 209 M HN -0.011 nan 8.290 nan 0.000 0.459 210 T N -0.130 114.276 114.554 -0.247 0.000 3.044 210 T HA 0.072 4.423 4.350 0.000 0.000 0.237 210 T C 1.799 176.380 174.700 -0.197 0.000 1.001 210 T CA 0.327 62.276 62.100 -0.253 0.000 1.160 210 T CB 0.013 68.683 68.868 -0.330 0.000 0.889 210 T HN 0.238 nan 8.240 nan 0.000 0.442 211 M N 2.197 121.678 119.600 -0.197 0.000 2.159 211 M HA -0.028 4.452 4.480 0.000 0.000 0.263 211 M C 1.667 177.896 176.300 -0.118 0.000 1.063 211 M CA 1.381 56.589 55.300 -0.153 0.000 1.110 211 M CB -1.220 31.286 32.600 -0.157 0.000 1.374 211 M HN 0.175 nan 8.290 nan 0.000 0.411 212 N N -0.106 118.524 118.700 -0.117 0.000 2.109 212 N HA -0.062 4.678 4.740 0.000 0.000 0.188 212 N C -1.033 174.426 175.510 -0.086 0.000 1.034 212 N CA 1.263 54.258 53.050 -0.092 0.000 0.846 212 N CB -1.855 36.582 38.487 -0.084 0.000 1.010 212 N HN 0.236 nan 8.380 nan 0.000 0.425 213 P HA 0.001 nan 4.420 nan 0.000 0.219 213 P C 1.438 178.682 177.300 -0.093 0.000 1.150 213 P CA 0.572 63.619 63.100 -0.089 0.000 0.814 213 P CB 0.184 31.834 31.700 -0.082 0.000 0.787 214 V N -0.338 119.532 119.914 -0.074 0.000 2.515 214 V HA -0.195 3.925 4.120 0.000 0.000 0.250 214 V C 2.366 178.414 176.094 -0.078 0.000 1.058 214 V CA 2.124 64.395 62.300 -0.049 0.000 1.064 214 V CB -1.358 30.454 31.823 -0.018 0.000 0.675 214 V HN 0.158 nan 8.190 nan 0.000 0.461 215 S N 0.243 115.893 115.700 -0.083 0.000 2.382 215 S HA -0.168 4.302 4.470 0.000 0.000 0.228 215 S C 2.039 176.582 174.600 -0.095 0.000 1.027 215 S CA 1.659 59.812 58.200 -0.078 0.000 0.991 215 S CB -0.163 62.997 63.200 -0.067 0.000 0.823 215 S HN 0.631 nan 8.310 nan 0.000 0.469 216 V N -0.075 119.761 119.914 -0.129 0.000 2.719 216 V HA 0.076 4.196 4.120 0.000 0.000 0.252 216 V C 1.749 177.589 176.094 -0.423 0.000 1.065 216 V CA 1.204 63.398 62.300 -0.177 0.000 1.086 216 V CB -0.766 30.987 31.823 -0.117 0.000 0.700 216 V HN 0.417 nan 8.190 nan 0.000 0.467 217 L N 1.503 122.473 121.223 -0.422 0.000 2.109 217 L HA -0.047 4.293 4.340 0.000 0.000 0.207 217 L C 2.908 179.657 176.870 -0.201 0.000 1.086 217 L CA 2.015 56.585 54.840 -0.450 0.000 0.760 217 L CB -0.789 41.122 42.059 -0.247 0.000 0.910 217 L HN 0.625 nan 8.230 nan 0.000 0.437 218 T N -4.416 110.063 114.554 -0.126 0.000 3.031 218 T HA 0.159 4.510 4.350 0.000 0.000 0.254 218 T C 1.571 176.247 174.700 -0.040 0.000 1.060 218 T CA 0.589 62.651 62.100 -0.063 0.000 1.135 218 T CB 0.329 69.168 68.868 -0.049 0.000 0.896 218 T HN 0.396 nan 8.240 nan 0.000 0.472 219 G N 1.618 110.390 108.800 -0.046 0.000 2.148 219 G HA2 -0.011 3.950 3.960 0.000 0.000 0.254 219 G HA3 -0.011 3.950 3.960 0.000 0.000 0.254 219 G C 0.241 175.129 174.900 -0.021 0.000 0.981 219 G CA 0.120 45.208 45.100 -0.020 0.000 0.670 219 G HN 1.175 nan 8.290 nan 0.000 0.528 220 A N -0.233 122.569 122.820 -0.030 0.000 2.264 220 A HA 0.907 5.227 4.320 0.000 0.000 0.304 220 A C 0.850 178.415 177.584 -0.031 0.000 1.100 220 A CA 0.736 52.757 52.037 -0.027 0.000 0.839 220 A CB 0.601 19.584 19.000 -0.028 0.000 1.121 220 A HN 1.632 nan 8.150 nan 0.000 0.496 221 T N -2.203 112.334 114.554 -0.028 0.000 2.882 221 T HA 0.229 4.579 4.350 0.000 0.000 0.287 221 T C 1.122 175.800 174.700 -0.036 0.000 1.014 221 T CA -0.131 61.950 62.100 -0.032 0.000 1.049 221 T CB 0.553 69.405 68.868 -0.027 0.000 1.001 221 T HN 0.535 nan 8.240 nan 0.000 0.525 222 C N 1.690 120.965 119.300 -0.042 0.000 2.410 222 C HA -0.087 4.373 4.460 0.000 0.000 0.281 222 C C 2.439 177.402 174.990 -0.044 0.000 1.318 222 C CA 1.211 60.199 59.018 -0.049 0.000 1.776 222 C CB -1.741 25.965 27.740 -0.056 0.000 1.942 222 C HN 1.114 nan 8.230 nan 0.000 0.508 223 D N 0.185 120.564 120.400 -0.035 0.000 2.117 223 D HA -0.156 4.484 4.640 0.000 0.000 0.198 223 D C 2.300 178.584 176.300 -0.027 0.000 0.982 223 D CA 0.916 54.898 54.000 -0.030 0.000 0.828 223 D CB -0.413 40.372 40.800 -0.024 0.000 0.967 223 D HN 0.336 nan 8.370 nan 0.000 0.464 224 R N 0.107 120.592 120.500 -0.026 0.000 2.066 224 R HA -0.009 4.331 4.340 0.000 0.000 0.232 224 R C 2.500 178.785 176.300 -0.024 0.000 1.131 224 R CA 1.137 57.223 56.100 -0.023 0.000 0.955 224 R CB -0.434 29.853 30.300 -0.021 0.000 0.851 224 R HN 0.343 nan 8.270 nan 0.000 0.432 225 I N 0.890 121.442 120.570 -0.030 0.000 2.163 225 I HA -0.315 3.855 4.170 0.000 0.000 0.243 225 I C 2.168 178.266 176.117 -0.032 0.000 1.085 225 I CA 1.411 62.692 61.300 -0.031 0.000 1.347 225 I CB -0.238 37.736 38.000 -0.042 0.000 1.044 225 I HN 0.132 nan 8.210 nan 0.000 0.408 226 L N -0.242 120.958 121.223 -0.039 0.000 2.313 226 L HA -0.130 4.211 4.340 0.000 0.000 0.214 226 L C 2.159 179.013 176.870 -0.028 0.000 1.119 226 L CA 0.792 55.608 54.840 -0.040 0.000 0.809 226 L CB -0.469 41.561 42.059 -0.049 0.000 0.933 226 L HN 0.294 nan 8.230 nan 0.000 0.449 227 D N -0.040 120.346 120.400 -0.023 0.000 2.183 227 D HA -0.159 4.482 4.640 0.000 0.000 0.203 227 D C 0.648 176.939 176.300 -0.014 0.000 0.969 227 D CA 0.602 54.591 54.000 -0.017 0.000 0.842 227 D CB 0.247 41.037 40.800 -0.016 0.000 0.957 227 D HN 0.188 nan 8.370 nan 0.000 0.484 228 D N 0.358 120.749 120.400 -0.014 0.000 2.358 228 D HA 0.016 4.656 4.640 0.000 0.000 0.258 228 D C -1.736 174.561 176.300 -0.005 0.000 1.223 228 D CA -1.611 52.384 54.000 -0.009 0.000 0.886 228 D CB 1.880 42.675 40.800 -0.009 0.000 1.120 228 D HN 0.048 nan 8.370 nan 0.000 0.482 229 P HA -0.034 nan 4.420 nan 0.000 0.221 229 P C 1.550 178.856 177.300 0.009 0.000 1.150 229 P CA 0.626 63.726 63.100 0.000 0.000 0.800 229 P CB 0.386 32.085 31.700 -0.001 0.000 0.787 230 L N -1.509 119.719 121.223 0.008 0.000 2.095 230 L HA -0.066 4.274 4.340 0.000 0.000 0.204 230 L C 2.273 179.169 176.870 0.045 0.000 1.080 230 L CA 0.972 55.821 54.840 0.015 0.000 0.759 230 L CB -0.927 41.128 42.059 -0.006 0.000 0.914 230 L HN -0.168 nan 8.230 nan 0.000 0.439 231 V N -1.058 118.881 119.914 0.040 0.000 2.427 231 V HA -0.254 3.866 4.120 0.000 0.000 0.248 231 V C 2.692 178.836 176.094 0.083 0.000 1.051 231 V CA 1.846 64.197 62.300 0.085 0.000 1.048 231 V CB -0.379 31.471 31.823 0.045 0.000 0.666 231 V HN 0.440 nan 8.190 nan 0.000 0.456 232 S N 0.414 116.131 115.700 0.028 0.000 2.359 232 S HA -0.246 4.225 4.470 0.000 0.000 0.224 232 S C 2.138 176.739 174.600 0.002 0.000 1.035 232 S CA 1.900 60.097 58.200 -0.005 0.000 1.018 232 S CB -0.386 62.806 63.200 -0.014 0.000 0.876 232 S HN 0.627 nan 8.310 nan 0.000 0.448 233 A N 0.105 122.946 122.820 0.035 0.000 1.930 233 A HA 0.029 4.350 4.320 0.000 0.000 0.217 233 A C 2.037 179.671 177.584 0.085 0.000 1.175 233 A CA 1.431 53.495 52.037 0.045 0.000 0.627 233 A CB -0.969 18.061 19.000 0.050 0.000 0.815 233 A HN 0.737 nan 8.150 nan 0.000 0.443 234 F N -0.142 119.783 119.950 -0.042 0.000 2.186 234 F HA -0.200 4.327 4.527 0.000 0.000 0.299 234 F C 2.374 178.138 175.800 -0.061 0.000 1.090 234 F CA 1.572 59.545 58.000 -0.045 0.000 1.307 234 F CB -0.211 38.761 39.000 -0.047 0.000 1.019 234 F HN 0.283 nan 8.300 nan 0.000 0.489 235 C N 0.929 120.105 119.300 -0.206 0.000 2.429 235 C HA -0.158 4.302 4.460 0.000 0.000 0.277 235 C C 2.678 177.494 174.990 -0.291 0.000 1.262 235 C CA 1.027 59.854 59.018 -0.318 0.000 1.733 235 C CB -1.328 26.294 27.740 -0.197 0.000 2.010 235 C HN 0.511 nan 8.230 nan 0.000 0.483 236 L N 0.841 121.958 121.223 -0.176 0.000 2.141 236 L HA -0.115 4.225 4.340 0.000 0.000 0.209 236 L C 2.783 179.594 176.870 -0.099 0.000 1.094 236 L CA 1.461 56.225 54.840 -0.125 0.000 0.763 236 L CB -0.652 41.373 42.059 -0.057 0.000 0.908 236 L HN 0.339 nan 8.230 nan 0.000 0.437 237 A N -0.535 122.214 122.820 -0.117 0.000 1.930 237 A HA -0.065 4.255 4.320 0.000 0.000 0.215 237 A C 2.330 179.837 177.584 -0.129 0.000 1.176 237 A CA 1.068 53.059 52.037 -0.075 0.000 0.632 237 A CB -0.547 18.450 19.000 -0.005 0.000 0.819 237 A HN 0.145 nan 8.150 nan 0.000 0.445 238 V N 0.073 119.806 119.914 -0.301 0.000 2.307 238 V HA -0.316 3.804 4.120 0.000 0.000 0.245 238 V C 2.631 178.634 176.094 -0.151 0.000 1.045 238 V CA 2.301 64.430 62.300 -0.285 0.000 1.024 238 V CB -0.715 30.816 31.823 -0.486 0.000 0.651 238 V HN 0.578 nan 8.190 nan 0.000 0.449 239 M N -0.171 119.318 119.600 -0.184 0.000 2.149 239 M HA -0.198 4.282 4.480 0.000 0.000 0.261 239 M C 2.279 178.712 176.300 0.222 0.000 1.064 239 M CA 2.130 57.371 55.300 -0.099 0.000 1.102 239 M CB -0.557 31.823 32.600 -0.366 0.000 1.369 239 M HN 0.415 nan 8.290 nan 0.000 0.408 240 A N 0.130 123.027 122.820 0.128 0.000 1.930 240 A HA -0.158 4.162 4.320 0.000 0.000 0.217 240 A C 1.906 179.576 177.584 0.144 0.000 1.175 240 A CA 1.605 53.738 52.037 0.160 0.000 0.627 240 A CB -0.554 18.500 19.000 0.090 0.000 0.815 240 A HN 0.535 nan 8.150 nan 0.000 0.443 241 E N -0.184 120.079 120.200 0.104 0.000 2.106 241 E HA -0.047 4.303 4.350 0.000 0.000 0.192 241 E C 2.270 178.973 176.600 0.172 0.000 0.984 241 E CA 0.838 57.301 56.400 0.105 0.000 0.806 241 E CB -0.267 29.471 29.700 0.063 0.000 0.750 241 E HN 0.606 nan 8.360 nan 0.000 0.458 242 A N 1.574 124.522 122.820 0.213 0.000 1.972 242 A HA -0.226 4.094 4.320 0.000 0.000 0.219 242 A C 2.047 179.926 177.584 0.492 0.000 1.169 242 A CA 1.617 53.858 52.037 0.340 0.000 0.635 242 A CB -0.306 18.827 19.000 0.221 0.000 0.810 242 A HN 0.052 nan 8.150 nan 0.000 0.446 243 K N -0.293 120.312 120.400 0.343 0.000 2.025 243 K HA -0.003 4.317 4.320 0.000 0.000 0.207 243 K C 2.116 178.788 176.600 0.121 0.000 1.049 243 K CA 1.196 57.583 56.287 0.166 0.000 0.933 243 K CB -0.336 32.227 32.500 0.105 0.000 0.714 243 K HN 0.335 nan 8.250 nan 0.000 0.438 244 A N 0.863 123.756 122.820 0.123 0.000 1.933 244 A HA -0.114 4.206 4.320 0.000 0.000 0.218 244 A C 2.058 179.678 177.584 0.059 0.000 1.175 244 A CA 1.387 53.468 52.037 0.073 0.000 0.628 244 A CB -0.553 18.490 19.000 0.071 0.000 0.814 244 A HN 0.342 nan 8.150 nan 0.000 0.444 245 I N -0.451 120.188 120.570 0.114 0.000 2.163 245 I HA -0.162 4.008 4.170 0.000 0.000 0.240 245 I C 2.768 178.819 176.117 -0.111 0.000 1.081 245 I CA 1.075 62.419 61.300 0.073 0.000 1.353 245 I CB -0.732 37.405 38.000 0.228 0.000 1.054 245 I HN 0.374 nan 8.210 nan 0.000 0.407 246 G N 0.704 109.407 108.800 -0.162 0.000 2.505 246 G HA2 -0.328 3.632 3.960 0.000 0.000 0.220 246 G HA3 -0.328 3.632 3.960 0.000 0.000 0.220 246 G C 1.761 176.476 174.900 -0.309 0.000 1.145 246 G CA 0.955 45.703 45.100 -0.588 0.000 0.761 246 G HN 0.516 nan 8.290 nan 0.000 0.571 247 A N -0.092 122.645 122.820 -0.138 0.000 2.172 247 A HA 0.089 4.409 4.320 0.000 0.000 0.216 247 A C 2.345 179.884 177.584 -0.076 0.000 1.154 247 A CA 0.997 52.979 52.037 -0.090 0.000 0.701 247 A CB -0.136 18.835 19.000 -0.048 0.000 0.789 247 A HN 0.308 nan 8.150 nan 0.000 0.465 248 R N -0.365 120.086 120.500 -0.081 0.000 2.290 248 R HA 0.193 4.533 4.340 0.000 0.000 0.197 248 R C 1.076 177.348 176.300 -0.045 0.000 0.913 248 R CA 0.881 56.952 56.100 -0.049 0.000 1.040 248 R CB -0.136 30.148 30.300 -0.027 0.000 0.992 248 R HN 0.784 nan 8.270 nan 0.000 0.500 249 I N -3.545 116.970 120.570 -0.093 0.000 3.856 249 I HA 0.438 4.608 4.170 0.000 0.000 0.330 249 I C 0.434 176.518 176.117 -0.055 0.000 1.546 249 I CA -0.044 61.246 61.300 -0.016 0.000 1.132 249 I CB 0.688 38.725 38.000 0.061 0.000 1.157 249 I HN 0.074 nan 8.210 nan 0.000 0.440 250 G N 1.378 110.128 108.800 -0.083 0.000 2.160 250 G HA2 -0.251 3.709 3.960 0.000 0.000 0.244 250 G HA3 -0.251 3.709 3.960 0.000 0.000 0.244 250 G C 0.060 174.894 174.900 -0.110 0.000 1.022 250 G CA 0.078 45.128 45.100 -0.083 0.000 0.741 250 G HN 0.539 nan 8.290 nan 0.000 0.508 251 C N 1.863 121.066 119.300 -0.163 0.000 3.401 251 C HA 0.432 4.892 4.460 0.000 0.000 0.204 251 C C -1.543 173.374 174.990 -0.122 0.000 1.522 251 C CA -1.335 57.593 59.018 -0.150 0.000 1.409 251 C CB 0.444 28.017 27.740 -0.278 0.000 1.967 251 C HN 0.503 nan 8.230 nan 0.000 0.496 252 P HA 0.440 nan 4.420 nan 0.000 0.278 252 P C -0.830 176.425 177.300 -0.075 0.000 1.238 252 P CA 0.131 63.184 63.100 -0.078 0.000 0.794 252 P CB 1.282 32.943 31.700 -0.065 0.000 0.955 253 I N 1.773 122.264 120.570 -0.131 0.000 2.382 253 I HA 0.226 4.396 4.170 0.000 0.000 0.286 253 I C 1.681 177.700 176.117 -0.162 0.000 1.002 253 I CA -0.212 60.965 61.300 -0.205 0.000 1.135 253 I CB 1.632 39.279 38.000 -0.588 0.000 1.288 253 I HN 0.419 nan 8.210 nan 0.000 0.448 254 E N 4.176 124.322 120.200 -0.089 0.000 2.046 254 E HA -0.107 4.243 4.350 0.000 0.000 0.190 254 E C 0.871 177.474 176.600 0.004 0.000 0.982 254 E CA 0.498 56.875 56.400 -0.039 0.000 0.800 254 E CB 0.247 29.930 29.700 -0.029 0.000 0.756 254 E HN 0.665 nan 8.360 nan 0.000 0.449 255 Q N 1.642 121.473 119.800 0.051 0.000 2.315 255 Q HA -0.014 4.326 4.340 0.000 0.000 0.289 255 Q C -0.569 175.571 176.000 0.234 0.000 1.044 255 Q CA -0.178 55.729 55.803 0.173 0.000 0.920 255 Q CB 0.682 29.625 28.738 0.340 0.000 1.214 255 Q HN 0.186 nan 8.270 nan 0.000 0.392 256 S N 2.230 118.075 115.700 0.242 0.000 2.592 256 S HA 0.252 4.722 4.470 0.000 0.000 0.271 256 S C 1.138 175.971 174.600 0.388 0.000 1.326 256 S CA -0.428 57.931 58.200 0.266 0.000 1.024 256 S CB 1.447 64.739 63.200 0.153 0.000 0.921 256 S HN 0.805 nan 8.310 nan 0.000 0.527 257 G N 0.937 109.949 108.800 0.354 0.000 2.422 257 G HA2 -0.134 3.826 3.960 0.000 0.000 0.218 257 G HA3 -0.134 3.826 3.960 0.000 0.000 0.218 257 G C 1.085 175.967 174.900 -0.029 0.000 1.146 257 G CA 0.681 45.849 45.100 0.114 0.000 0.769 257 G HN 0.765 nan 8.290 nan 0.000 0.547 258 E N 0.782 120.999 120.200 0.029 0.000 2.077 258 E HA 0.017 4.367 4.350 0.000 0.000 0.193 258 E C 2.782 179.386 176.600 0.008 0.000 0.989 258 E CA 1.263 57.665 56.400 0.003 0.000 0.800 258 E CB -0.374 29.340 29.700 0.023 0.000 0.746 258 E HN 0.379 nan 8.360 nan 0.000 0.452 259 A N 0.566 123.419 122.820 0.054 0.000 1.968 259 A HA -0.114 4.207 4.320 0.000 0.000 0.217 259 A C 2.108 179.725 177.584 0.055 0.000 1.169 259 A CA 1.593 53.668 52.037 0.064 0.000 0.638 259 A CB -0.314 18.746 19.000 0.100 0.000 0.812 259 A HN 0.078 nan 8.150 nan 0.000 0.446 260 R N 0.248 120.775 120.500 0.045 0.000 2.090 260 R HA 0.012 4.352 4.340 0.000 0.000 0.228 260 R C 2.012 178.233 176.300 -0.131 0.000 1.110 260 R CA 2.011 58.091 56.100 -0.034 0.000 0.973 260 R CB -0.679 29.513 30.300 -0.180 0.000 0.869 260 R HN 0.356 nan 8.270 nan 0.000 0.440 261 S N 0.232 115.838 115.700 -0.157 0.000 2.423 261 S HA -0.033 4.437 4.470 0.000 0.000 0.231 261 S C 1.864 176.415 174.600 -0.082 0.000 1.014 261 S CA 0.928 59.041 58.200 -0.146 0.000 0.965 261 S CB -0.181 62.932 63.200 -0.145 0.000 0.785 261 S HN 0.546 nan 8.310 nan 0.000 0.495 262 A N 1.037 123.829 122.820 -0.047 0.000 1.969 262 A HA 0.018 4.338 4.320 0.000 0.000 0.218 262 A C 2.245 179.817 177.584 -0.019 0.000 1.169 262 A CA 1.057 53.080 52.037 -0.024 0.000 0.635 262 A CB -0.624 18.373 19.000 -0.005 0.000 0.810 262 A HN 0.353 nan 8.150 nan 0.000 0.445 263 V N -0.032 119.872 119.914 -0.016 0.000 2.358 263 V HA -0.195 3.925 4.120 0.000 0.000 0.246 263 V C 2.687 178.767 176.094 -0.024 0.000 1.047 263 V CA 2.381 64.677 62.300 -0.007 0.000 1.035 263 V CB -1.280 30.552 31.823 0.016 0.000 0.658 263 V HN 0.621 nan 8.190 nan 0.000 0.452 264 T N -0.600 113.925 114.554 -0.048 0.000 2.867 264 T HA -0.151 4.199 4.350 0.000 0.000 0.268 264 T C 2.070 176.742 174.700 -0.047 0.000 1.057 264 T CA 0.862 62.928 62.100 -0.057 0.000 1.136 264 T CB -0.224 68.590 68.868 -0.089 0.000 0.874 264 T HN 0.204 nan 8.240 nan 0.000 0.466 265 R N 1.195 121.668 120.500 -0.044 0.000 2.115 265 R HA 0.024 4.365 4.340 0.000 0.000 0.230 265 R C 2.144 178.429 176.300 -0.024 0.000 1.111 265 R CA 1.211 57.290 56.100 -0.035 0.000 0.976 265 R CB -0.234 30.046 30.300 -0.033 0.000 0.870 265 R HN 0.492 nan 8.270 nan 0.000 0.445 266 Q N -0.165 119.624 119.800 -0.019 0.000 2.435 266 Q HA 0.085 4.426 4.340 0.000 0.000 0.207 266 Q C 0.379 176.371 176.000 -0.012 0.000 0.956 266 Q CA 0.245 56.041 55.803 -0.012 0.000 0.917 266 Q CB 0.223 28.958 28.738 -0.006 0.000 0.997 266 Q HN 0.212 nan 8.270 nan 0.000 0.497 267 L N -0.494 120.718 121.223 -0.018 0.000 2.468 267 L HA 0.263 4.604 4.340 0.000 0.000 0.254 267 L C 1.044 177.901 176.870 -0.020 0.000 1.171 267 L CA -0.631 54.198 54.840 -0.019 0.000 0.809 267 L CB 0.263 42.308 42.059 -0.023 0.000 1.155 267 L HN 0.084 nan 8.230 nan 0.000 0.473 273 S N 0.403 116.076 115.700 -0.044 0.000 2.406 273 S HA 0.032 4.502 4.470 0.000 0.000 0.224 273 S C 2.040 176.623 174.600 -0.028 0.000 1.030 273 S CA 0.708 58.885 58.200 -0.038 0.000 0.958 273 S CB -0.622 62.553 63.200 -0.041 0.000 0.811 273 S HN 0.679 nan 8.310 nan 0.000 0.489 274 M N 0.868 120.451 119.600 -0.029 0.000 2.296 274 M HA 0.068 4.548 4.480 0.000 0.000 0.265 274 M C 1.988 178.279 176.300 -0.015 0.000 1.064 274 M CA 1.007 56.295 55.300 -0.019 0.000 1.109 274 M CB -0.201 32.382 32.600 -0.028 0.000 1.396 274 M HN 0.414 nan 8.290 nan 0.000 0.430 275 L N 0.034 121.242 121.223 -0.025 0.000 2.034 275 L HA -0.201 4.139 4.340 0.000 0.000 0.203 275 L C 2.117 178.981 176.870 -0.010 0.000 1.074 275 L CA 1.799 56.628 54.840 -0.019 0.000 0.748 275 L CB -0.949 41.092 42.059 -0.030 0.000 0.905 275 L HN 0.424 nan 8.230 nan 0.000 0.439 276 Q N 0.047 119.836 119.800 -0.018 0.000 1.917 276 Q HA -0.248 4.092 4.340 0.000 0.000 0.205 276 Q C 0.403 176.397 176.000 -0.010 0.000 0.988 276 Q CA 2.277 58.070 55.803 -0.016 0.000 0.851 276 Q CB 0.018 28.740 28.738 -0.027 0.000 0.916 276 Q HN 0.413 nan 8.270 nan 0.000 0.424 277 D N -1.242 119.150 120.400 -0.013 0.000 2.881 277 D HA 0.297 4.937 4.640 0.000 0.000 0.240 277 D C -0.874 175.428 176.300 0.004 0.000 1.249 277 D CA 0.227 54.223 54.000 -0.007 0.000 0.839 277 D CB 0.696 41.487 40.800 -0.014 0.000 1.042 277 D HN 0.343 nan 8.370 nan 0.000 0.475 278 A N -0.266 122.560 122.820 0.009 0.000 2.502 278 A HA 0.134 4.454 4.320 0.000 0.000 0.253 278 A C 1.387 178.990 177.584 0.032 0.000 0.938 278 A CA -0.390 51.660 52.037 0.022 0.000 1.086 278 A CB 0.091 19.105 19.000 0.024 0.000 1.176 278 A HN 0.099 nan 8.150 nan 0.000 0.499 279 E N 0.607 120.822 120.200 0.026 0.000 2.001 279 E HA 0.120 4.470 4.350 0.000 0.000 0.193 279 E C 0.964 177.583 176.600 0.031 0.000 0.994 279 E CA 1.337 57.757 56.400 0.034 0.000 0.815 279 E CB 0.037 29.751 29.700 0.023 0.000 0.770 279 E HN 0.598 nan 8.360 nan 0.000 0.453 280 A N 0.618 123.451 122.820 0.021 0.000 2.328 280 A HA 0.590 4.910 4.320 0.000 0.000 0.318 280 A C 0.079 177.674 177.584 0.018 0.000 1.347 280 A CA 0.070 52.118 52.037 0.018 0.000 0.842 280 A CB 0.468 19.476 19.000 0.013 0.000 1.148 280 A HN 0.367 nan 8.150 nan 0.000 0.499 285 L N 0.961 122.252 121.223 0.113 0.000 2.477 285 L HA 0.127 4.467 4.340 0.000 0.000 0.220 285 L C 0.238 177.151 176.870 0.072 0.000 1.106 285 L CA 0.878 55.771 54.840 0.087 0.000 0.851 285 L CB -0.223 41.893 42.059 0.094 0.000 0.994 285 L HN 0.742 nan 8.230 nan 0.000 0.462 286 E N -0.406 119.853 120.200 0.098 0.000 2.645 286 E HA -0.239 4.112 4.350 0.000 0.000 0.282 286 E C 1.078 177.719 176.600 0.068 0.000 1.013 286 E CA 0.503 56.951 56.400 0.080 0.000 0.842 286 E CB -1.597 28.132 29.700 0.047 0.000 1.396 286 E HN 0.549 nan 8.360 nan 0.000 0.404 287 I N -2.515 118.113 120.570 0.096 0.000 2.546 287 I HA -0.089 4.082 4.170 0.000 0.000 0.255 287 I C 1.603 177.746 176.117 0.043 0.000 1.163 287 I CA 1.148 62.464 61.300 0.027 0.000 1.457 287 I CB 0.005 37.966 38.000 -0.065 0.000 1.092 287 I HN -0.088 nan 8.210 nan 0.000 0.434 288 D N 1.962 122.436 120.400 0.124 0.000 2.117 288 D HA -0.070 4.570 4.640 0.000 0.000 0.198 288 D C 2.331 178.668 176.300 0.061 0.000 0.982 288 D CA 1.785 55.852 54.000 0.112 0.000 0.828 288 D CB -0.105 40.792 40.800 0.162 0.000 0.967 288 D HN 0.546 nan 8.370 nan 0.000 0.464 289 A N 0.840 123.692 122.820 0.053 0.000 1.929 289 A HA -0.063 4.257 4.320 0.000 0.000 0.216 289 A C 2.157 179.726 177.584 -0.025 0.000 1.176 289 A CA 0.649 52.701 52.037 0.024 0.000 0.628 289 A CB -0.340 18.683 19.000 0.037 0.000 0.816 289 A HN 0.108 nan 8.150 nan 0.000 0.444 290 L N -0.635 120.569 121.223 -0.032 0.000 2.095 290 L HA -0.037 4.303 4.340 0.000 0.000 0.204 290 L C 2.235 179.044 176.870 -0.102 0.000 1.080 290 L CA 1.579 56.371 54.840 -0.080 0.000 0.759 290 L CB -0.699 41.318 42.059 -0.071 0.000 0.914 290 L HN 0.302 nan 8.230 nan 0.000 0.439 291 V N -1.672 118.203 119.914 -0.065 0.000 2.948 291 V HA 0.232 4.352 4.120 0.000 0.000 0.234 291 V C 2.337 178.410 176.094 -0.034 0.000 1.205 291 V CA 0.820 63.080 62.300 -0.067 0.000 1.234 291 V CB -0.359 31.423 31.823 -0.068 0.000 1.020 291 V HN 0.241 nan 8.190 nan 0.000 0.491 292 A N 1.428 124.243 122.820 -0.008 0.000 2.067 292 A HA -0.133 4.188 4.320 0.000 0.000 0.219 292 A C 2.399 180.003 177.584 0.033 0.000 1.158 292 A CA 1.999 54.046 52.037 0.017 0.000 0.661 292 A CB -0.547 18.476 19.000 0.039 0.000 0.801 292 A HN 0.672 nan 8.150 nan 0.000 0.452 293 S N -0.179 115.539 115.700 0.030 0.000 2.357 293 S HA -0.117 4.353 4.470 0.000 0.000 0.221 293 S C 1.715 176.362 174.600 0.079 0.000 1.031 293 S CA 1.297 59.529 58.200 0.053 0.000 0.982 293 S CB -1.025 62.192 63.200 0.028 0.000 0.853 293 S HN 0.260 nan 8.310 nan 0.000 0.458 294 V N 2.660 122.599 119.914 0.042 0.000 2.332 294 V HA -0.163 3.957 4.120 0.000 0.000 0.248 294 V C 2.886 179.053 176.094 0.121 0.000 1.055 294 V CA 2.156 64.519 62.300 0.106 0.000 1.038 294 V CB -0.974 30.834 31.823 -0.023 0.000 0.651 294 V HN 0.497 nan 8.190 nan 0.000 0.450 295 R N 0.044 120.581 120.500 0.061 0.000 2.081 295 R HA -0.225 4.115 4.340 0.000 0.000 0.235 295 R C 2.416 178.743 176.300 0.045 0.000 1.131 295 R CA 2.087 58.215 56.100 0.046 0.000 0.960 295 R CB -0.251 30.062 30.300 0.022 0.000 0.856 295 R HN 0.658 nan 8.270 nan 0.000 0.436 296 E N 0.259 120.492 120.200 0.056 0.000 2.077 296 E HA -0.184 4.166 4.350 0.000 0.000 0.193 296 E C 2.026 178.689 176.600 0.104 0.000 0.989 296 E CA 1.388 57.817 56.400 0.048 0.000 0.800 296 E CB -0.060 29.692 29.700 0.086 0.000 0.746 296 E HN 0.407 nan 8.360 nan 0.000 0.452 297 I N 0.561 121.234 120.570 0.172 0.000 2.226 297 I HA -0.204 3.966 4.170 0.000 0.000 0.245 297 I C 2.567 178.763 176.117 0.131 0.000 1.100 297 I CA 1.147 62.561 61.300 0.191 0.000 1.374 297 I CB -0.652 37.504 38.000 0.260 0.000 1.057 297 I HN 0.219 nan 8.210 nan 0.000 0.413 298 G N 1.266 110.136 108.800 0.118 0.000 2.513 298 G HA2 -0.281 3.679 3.960 0.000 0.000 0.219 298 G HA3 -0.281 3.679 3.960 0.000 0.000 0.219 298 G C 1.637 176.553 174.900 0.026 0.000 1.160 298 G CA 0.936 46.082 45.100 0.078 0.000 0.767 298 G HN 0.210 nan 8.290 nan 0.000 0.571 299 L N -0.098 121.110 121.223 -0.024 0.000 2.012 299 L HA -0.104 4.236 4.340 0.000 0.000 0.210 299 L C 2.736 179.531 176.870 -0.125 0.000 1.073 299 L CA 1.617 56.395 54.840 -0.104 0.000 0.748 299 L CB -0.528 41.417 42.059 -0.190 0.000 0.891 299 L HN 0.283 nan 8.230 nan 0.000 0.431 300 H N -1.298 117.750 119.070 -0.038 0.000 2.456 300 H HA -0.019 4.538 4.556 0.000 0.000 0.296 300 H C 1.967 177.259 175.328 -0.060 0.000 1.079 300 H CA 1.829 57.837 56.048 -0.067 0.000 1.322 300 H CB 0.009 29.694 29.762 -0.128 0.000 1.388 300 H HN 0.396 nan 8.280 nan 0.000 0.538 301 V N -3.401 116.552 119.914 0.065 0.000 3.621 301 V HA 0.429 4.549 4.120 0.000 0.000 0.285 301 V C 1.423 177.528 176.094 0.018 0.000 1.346 301 V CA 0.573 62.891 62.300 0.030 0.000 1.104 301 V CB 0.148 31.983 31.823 0.020 0.000 0.913 301 V HN 0.422 nan 8.190 nan 0.000 0.432 302 G N 0.454 109.262 108.800 0.013 0.000 2.212 302 G HA2 -0.168 3.792 3.960 0.000 0.000 0.255 302 G HA3 -0.168 3.792 3.960 0.000 0.000 0.255 302 G C -0.156 174.753 174.900 0.013 0.000 1.062 302 G CA 0.112 45.216 45.100 0.007 0.000 0.815 302 G HN 0.958 nan 8.290 nan 0.000 0.497 303 V N 2.198 122.125 119.914 0.022 0.000 2.357 303 V HA 0.472 4.593 4.120 0.000 0.000 0.284 303 V C -1.352 174.760 176.094 0.031 0.000 1.018 303 V CA -1.667 60.652 62.300 0.032 0.000 0.841 303 V CB 1.765 33.617 31.823 0.048 0.000 0.991 303 V HN 0.277 nan 8.190 nan 0.000 0.437 304 P HA 0.122 nan 4.420 nan 0.000 0.268 304 P C 0.173 177.492 177.300 0.033 0.000 1.204 304 P CA 0.154 63.268 63.100 0.024 0.000 0.768 304 P CB 0.596 32.310 31.700 0.022 0.000 0.842 305 T N -1.060 113.511 114.554 0.029 0.000 3.416 305 T HA 0.341 4.691 4.350 0.000 0.000 0.245 305 T C -2.132 172.588 174.700 0.034 0.000 1.081 305 T CA -1.584 60.536 62.100 0.034 0.000 1.190 305 T CB 0.158 69.046 68.868 0.034 0.000 1.068 305 T HN 0.079 nan 8.240 nan 0.000 0.580 306 P HA -0.084 nan 4.420 nan 0.000 0.218 306 P C 1.817 179.163 177.300 0.077 0.000 1.149 306 P CA 0.977 64.105 63.100 0.047 0.000 0.817 306 P CB 0.153 31.879 31.700 0.044 0.000 0.785 307 Q N -0.693 119.159 119.800 0.085 0.000 2.083 307 Q HA -0.025 4.315 4.340 0.000 0.000 0.198 307 Q C 2.306 178.363 176.000 0.095 0.000 0.969 307 Q CA 1.168 57.057 55.803 0.143 0.000 0.838 307 Q CB -0.962 27.814 28.738 0.062 0.000 0.900 307 Q HN 0.351 nan 8.270 nan 0.000 0.436 308 I N 1.399 121.981 120.570 0.020 0.000 2.226 308 I HA -0.280 3.890 4.170 0.000 0.000 0.245 308 I C 1.623 177.756 176.117 0.027 0.000 1.100 308 I CA 1.154 62.453 61.300 -0.003 0.000 1.374 308 I CB -0.317 37.677 38.000 -0.011 0.000 1.057 308 I HN 0.083 nan 8.210 nan 0.000 0.413 309 D N 0.625 121.047 120.400 0.036 0.000 2.126 309 D HA -0.191 4.449 4.640 0.000 0.000 0.190 309 D C 2.198 178.523 176.300 0.042 0.000 1.001 309 D CA 1.937 55.955 54.000 0.031 0.000 0.841 309 D CB -0.672 40.145 40.800 0.027 0.000 0.949 309 D HN 0.259 nan 8.370 nan 0.000 0.446 310 T N 1.038 115.640 114.554 0.080 0.000 2.652 310 T HA -0.176 4.175 4.350 0.000 0.000 0.267 310 T C 1.930 176.693 174.700 0.106 0.000 1.039 310 T CA 0.917 63.068 62.100 0.085 0.000 1.153 310 T CB -0.524 68.412 68.868 0.114 0.000 0.863 310 T HN 0.032 nan 8.240 nan 0.000 0.428 311 L N 0.866 122.209 121.223 0.199 0.000 2.042 311 L HA -0.014 4.326 4.340 0.000 0.000 0.210 311 L C 2.178 179.067 176.870 0.031 0.000 1.076 311 L CA 1.481 56.416 54.840 0.159 0.000 0.749 311 L CB -0.842 41.277 42.059 0.100 0.000 0.893 311 L HN 0.196 nan 8.230 nan 0.000 0.432 312 L N -0.383 120.843 121.223 0.004 0.000 1.994 312 L HA 0.005 4.345 4.340 0.000 0.000 0.208 312 L C 2.373 179.207 176.870 -0.059 0.000 1.071 312 L CA 2.173 56.989 54.840 -0.041 0.000 0.745 312 L CB -1.536 40.503 42.059 -0.032 0.000 0.892 312 L HN 0.285 nan 8.230 nan 0.000 0.431 313 G N -0.081 108.700 108.800 -0.031 0.000 2.491 313 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 313 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 313 G C 1.510 176.387 174.900 -0.039 0.000 1.180 313 G CA 1.013 46.092 45.100 -0.034 0.000 0.774 313 G HN 0.349 nan 8.290 nan 0.000 0.562 314 L N 0.449 121.657 121.223 -0.025 0.000 2.093 314 L HA -0.008 4.332 4.340 0.000 0.000 0.208 314 L C 3.110 179.971 176.870 -0.014 0.000 1.085 314 L CA 0.986 55.814 54.840 -0.019 0.000 0.755 314 L CB -0.974 41.070 42.059 -0.026 0.000 0.904 314 L HN 0.148 nan 8.230 nan 0.000 0.435 315 V N 0.437 120.325 119.914 -0.043 0.000 2.488 315 V HA -0.182 3.938 4.120 0.000 0.000 0.246 315 V C 2.645 178.689 176.094 -0.083 0.000 1.046 315 V CA 1.382 63.649 62.300 -0.055 0.000 1.053 315 V CB -0.581 31.193 31.823 -0.082 0.000 0.679 315 V HN 0.527 nan 8.190 nan 0.000 0.458 316 R N 0.453 120.836 120.500 -0.194 0.000 2.148 316 R HA -0.052 4.288 4.340 0.000 0.000 0.227 316 R C 2.074 178.255 176.300 -0.198 0.000 1.103 316 R CA 1.448 57.303 56.100 -0.407 0.000 0.983 316 R CB -0.454 29.492 30.300 -0.590 0.000 0.874 316 R HN 0.388 nan 8.270 nan 0.000 0.451 317 L N 0.131 121.313 121.223 -0.069 0.000 2.095 317 L HA -0.069 4.271 4.340 0.000 0.000 0.204 317 L C 2.671 179.559 176.870 0.030 0.000 1.080 317 L CA 1.539 56.378 54.840 -0.003 0.000 0.759 317 L CB -0.552 41.509 42.059 0.004 0.000 0.914 317 L HN 0.344 nan 8.230 nan 0.000 0.439 318 H N 0.114 119.159 119.070 -0.042 0.000 2.319 318 H HA -0.189 4.367 4.556 0.000 0.000 0.299 318 H C 2.114 177.437 175.328 -0.008 0.000 1.092 318 H CA 2.010 58.043 56.048 -0.025 0.000 1.302 318 H CB 0.206 29.950 29.762 -0.030 0.000 1.373 318 H HN 0.312 nan 8.280 nan 0.000 0.497 319 A N 0.406 123.299 122.820 0.121 0.000 1.897 319 A HA -0.168 4.153 4.320 0.000 0.000 0.215 319 A C 2.299 179.933 177.584 0.083 0.000 1.181 319 A CA 1.377 53.478 52.037 0.107 0.000 0.620 319 A CB -0.602 18.471 19.000 0.122 0.000 0.821 319 A HN 0.797 nan 8.150 nan 0.000 0.443 320 Q N -1.019 118.845 119.800 0.106 0.000 2.435 320 Q HA -0.051 4.289 4.340 0.000 0.000 0.207 320 Q C 1.390 177.416 176.000 0.043 0.000 0.956 320 Q CA 1.554 57.435 55.803 0.130 0.000 0.917 320 Q CB -0.636 28.233 28.738 0.219 0.000 0.997 320 Q HN 0.410 nan 8.270 nan 0.000 0.497 321 T N 1.203 115.750 114.554 -0.012 0.000 2.777 321 T HA -0.029 4.321 4.350 0.000 0.000 0.266 321 T C 1.406 176.070 174.700 -0.060 0.000 1.040 321 T CA 1.279 63.348 62.100 -0.052 0.000 1.141 321 T CB -0.031 68.773 68.868 -0.108 0.000 0.868 321 T HN 0.374 nan 8.240 nan 0.000 0.444 322 R N 0.682 121.135 120.500 -0.079 0.000 2.313 322 R HA 0.289 4.629 4.340 0.000 0.000 0.199 322 R C 1.223 177.517 176.300 -0.011 0.000 0.958 322 R CA 0.226 56.291 56.100 -0.058 0.000 1.047 322 R CB 0.078 30.331 30.300 -0.078 0.000 0.955 322 R HN 0.397 nan 8.270 nan 0.000 0.481 323 G N 1.439 110.244 108.800 0.008 0.000 2.333 323 G HA2 -0.237 3.723 3.960 0.000 0.000 0.296 323 G HA3 -0.237 3.723 3.960 0.000 0.000 0.296 323 G C 0.202 175.124 174.900 0.037 0.000 1.059 323 G CA -0.063 45.050 45.100 0.022 0.000 1.050 323 G HN 0.370 nan 8.290 nan 0.000 0.508 324 L N -1.614 119.651 121.223 0.070 0.000 3.386 324 L HA 0.357 4.697 4.340 0.000 0.000 0.307 324 L C 0.522 177.488 176.870 0.161 0.000 1.235 324 L CA -0.540 54.353 54.840 0.088 0.000 1.056 324 L CB 0.242 42.348 42.059 0.079 0.000 1.453 324 L HN 0.371 nan 8.230 nan 0.000 0.615 325 Y N 0.000 120.310 120.300 0.017 0.000 2.660 325 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 325 Y CA 0.000 58.112 58.100 0.020 0.000 1.940 325 Y CB 0.000 38.474 38.460 0.023 0.000 1.050 325 Y HN 0.000 nan 8.280 nan 0.000 0.758