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 3b9a_1_A DATA FIRST_RESID 22 DATA SEQUENCE APTAPSIDMY GSNNLQFSKI ELAMETTSGY NDMVKYHELA KIKVKFNQWS DATA SEQUENCE GTSGDTYNVY FDGVKVATGA ITGSQTTASF EYGQGGLYQM EIEAcDATGc DATA SEQUENCE SKSAPVEITI ADTDGSHLKP LTMNVDPNNK SYNTDPSIVM GTYFVEWGIY DATA SEQUENCE GRDYTVDNMP VDNLTHILYG FIPIcGPNES VKSVGGNSFN ALQTAcRGVN DATA SEQUENCE DYEVVIHDPW AAYQKSFPQA GHEYSTPIKG NYAMLMALKQ RNPDLKIIPS DATA SEQUENCE IGGWTLSDPF YDFVDKKNRD TFVASVKKFL KTWKFYDGVD IDWMFPGGGG DATA SEQUENCE AAADKGDPVN DGPAYIALMR ELRVMLDELE AETGRTYELT SAIGVGYDKI DATA SEQUENCE EDVDYADAVQ YMDYIFAMTY DFYGGWNNVP GHQTALYcGS FMRPGQcDGG DATA SEQUENCE GVDENGEPYK GPAYTADNGI QLLLAQGVPA NKLVLGTAMY GRGWEGVTPD DATA SEQUENCE TLTDPNDPMT GTATGKLKGS TAQGVWEDGV IDYKGIKSFM LGANNTGING DATA SEQUENCE FEYGYDAQAE APWVWNRSTG ELITFDDHRS VLAKGNYAKS LGLAGLFSWE DATA SEQUENCE IDADNGDILN AMHEGMA 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.595 177.584 0.019 0.000 1.274 22 A CA 0.000 52.045 52.037 0.013 0.000 0.836 22 A CB 0.000 19.006 19.000 0.010 0.000 0.831 23 P HA 0.453 nan 4.420 nan 0.000 0.274 23 P C 0.284 177.602 177.300 0.030 0.000 1.256 23 P CA 0.052 63.170 63.100 0.031 0.000 0.795 23 P CB 0.433 32.156 31.700 0.038 0.000 1.038 24 T N 0.792 115.369 114.554 0.038 0.000 2.902 24 T HA 0.287 4.638 4.350 0.001 0.000 0.301 24 T C 0.471 175.190 174.700 0.032 0.000 1.012 24 T CA -0.013 62.111 62.100 0.040 0.000 1.151 24 T CB -0.082 68.817 68.868 0.053 0.000 0.946 24 T HN 0.500 nan 8.240 nan 0.000 0.542 25 A N 5.976 128.809 122.820 0.021 0.000 2.520 25 A HA 0.391 4.711 4.320 0.001 0.000 0.245 25 A C -2.005 175.578 177.584 -0.002 0.000 1.072 25 A CA -1.245 50.792 52.037 0.000 0.000 0.761 25 A CB -0.437 18.562 19.000 -0.001 0.000 1.004 25 A HN 0.508 nan 8.150 nan 0.000 0.499 26 P HA 0.078 nan 4.420 nan 0.000 0.264 26 P C -0.267 177.025 177.300 -0.013 0.000 1.183 26 P CA 0.376 63.439 63.100 -0.063 0.000 0.763 26 P CB 0.710 32.135 31.700 -0.459 0.000 0.807 27 S N 3.653 119.388 115.700 0.058 0.000 2.530 27 S HA 0.394 4.865 4.470 0.001 0.000 0.322 27 S C -0.115 174.539 174.600 0.090 0.000 1.085 27 S CA -0.820 57.415 58.200 0.060 0.000 1.096 27 S CB -0.126 63.116 63.200 0.070 0.000 0.988 27 S HN 0.131 nan 8.310 nan 0.000 0.466 28 I N 4.150 124.773 120.570 0.088 0.000 2.598 28 I HA 0.105 4.275 4.170 0.001 0.000 0.284 28 I C 0.659 176.840 176.117 0.106 0.000 1.140 28 I CA -0.002 61.367 61.300 0.115 0.000 1.420 28 I CB -0.090 37.968 38.000 0.095 0.000 1.387 28 I HN 0.646 nan 8.210 nan 0.000 0.553 29 D N 7.455 127.917 120.400 0.103 0.000 2.422 29 D HA 0.117 4.757 4.640 0.001 0.000 0.227 29 D C 1.036 177.408 176.300 0.119 0.000 1.190 29 D CA -0.348 53.717 54.000 0.108 0.000 0.905 29 D CB 0.810 41.654 40.800 0.075 0.000 1.034 29 D HN 0.255 nan 8.370 nan 0.000 0.507 30 M N 3.094 122.770 119.600 0.125 0.000 2.086 30 M HA -0.184 4.297 4.480 0.001 0.000 0.261 30 M C 1.617 177.980 176.300 0.104 0.000 1.067 30 M CA 1.312 56.674 55.300 0.103 0.000 1.116 30 M CB -1.105 31.552 32.600 0.096 0.000 1.348 30 M HN 0.606 nan 8.290 nan 0.000 0.407 31 Y N 0.869 121.188 120.300 0.032 0.000 2.181 31 Y HA -0.099 4.451 4.550 0.001 0.000 0.288 31 Y C 2.246 178.157 175.900 0.019 0.000 1.146 31 Y CA 1.913 60.025 58.100 0.021 0.000 1.164 31 Y CB -0.684 37.795 38.460 0.031 0.000 0.982 31 Y HN 0.251 nan 8.280 nan 0.000 0.515 32 G N -1.792 107.061 108.800 0.089 0.000 2.679 32 G HA2 -0.095 3.865 3.960 0.001 0.000 0.212 32 G HA3 -0.095 3.865 3.960 0.001 0.000 0.212 32 G C 1.061 175.947 174.900 -0.024 0.000 1.137 32 G CA 0.792 45.896 45.100 0.006 0.000 0.787 32 G HN 0.372 nan 8.290 nan 0.000 0.534 33 S N 0.394 116.090 115.700 -0.007 0.000 2.601 33 S HA 0.158 4.628 4.470 0.001 0.000 0.244 33 S C 0.717 175.267 174.600 -0.082 0.000 1.001 33 S CA -0.470 57.764 58.200 0.057 0.000 0.984 33 S CB -0.008 63.272 63.200 0.134 0.000 0.842 33 S HN 0.457 nan 8.310 nan 0.000 0.474 34 N N 2.862 121.441 118.700 -0.201 0.000 2.721 34 N HA -0.247 4.494 4.740 0.001 0.000 0.249 34 N C 0.016 175.338 175.510 -0.312 0.000 1.072 34 N CA 0.876 53.737 53.050 -0.316 0.000 0.710 34 N CB -1.670 36.571 38.487 -0.409 0.000 0.993 34 N HN 0.421 nan 8.380 nan 0.000 0.547 35 N N -0.342 118.252 118.700 -0.176 0.000 2.714 35 N HA -0.243 4.497 4.740 0.001 0.000 0.250 35 N C -0.183 175.241 175.510 -0.143 0.000 1.117 35 N CA 1.340 54.326 53.050 -0.107 0.000 0.719 35 N CB -1.176 37.266 38.487 -0.075 0.000 1.081 35 N HN 0.604 nan 8.380 nan 0.000 0.557 36 L N -3.130 117.972 121.223 -0.202 0.000 3.843 36 L HA -0.321 4.020 4.340 0.001 0.000 0.411 36 L C -0.423 176.239 176.870 -0.347 0.000 1.205 36 L CA 0.979 55.727 54.840 -0.154 0.000 0.945 36 L CB -1.109 40.984 42.059 0.055 0.000 1.929 36 L HN 0.336 nan 8.230 nan 0.000 0.934 37 Q N 0.360 119.753 119.800 -0.679 0.000 2.347 37 Q HA 0.683 5.023 4.340 0.001 0.000 0.262 37 Q C -0.513 174.994 176.000 -0.821 0.000 0.980 37 Q CA 0.127 55.626 55.803 -0.507 0.000 0.867 37 Q CB 1.362 29.930 28.738 -0.285 0.000 1.242 37 Q HN 0.164 nan 8.270 nan 0.000 0.453 38 F N -0.057 119.853 119.950 -0.066 0.000 2.611 38 F HA 0.651 5.178 4.527 0.001 0.000 0.324 38 F C 0.364 176.099 175.800 -0.109 0.000 1.061 38 F CA -0.976 56.970 58.000 -0.090 0.000 0.954 38 F CB 2.214 41.159 39.000 -0.092 0.000 1.301 38 F HN 0.274 nan 8.300 nan 0.000 0.482 39 S N -0.038 115.705 115.700 0.072 0.000 2.536 39 S HA 0.359 4.829 4.470 0.001 0.000 0.271 39 S C -0.131 174.431 174.600 -0.063 0.000 1.134 39 S CA -0.777 57.397 58.200 -0.044 0.000 0.897 39 S CB 1.626 64.776 63.200 -0.084 0.000 1.094 39 S HN 0.705 nan 8.310 nan 0.000 0.473 40 K N 2.190 122.521 120.400 -0.115 0.000 2.432 40 K HA 0.285 4.606 4.320 0.001 0.000 0.196 40 K C 0.312 176.730 176.600 -0.304 0.000 1.038 40 K CA 0.573 56.721 56.287 -0.232 0.000 0.986 40 K CB 0.137 32.441 32.500 -0.327 0.000 0.782 40 K HN 0.579 nan 8.250 nan 0.000 0.485 41 I N 1.318 121.790 120.570 -0.163 0.000 2.465 41 I HA 0.115 4.286 4.170 0.001 0.000 0.291 41 I C -1.253 174.816 176.117 -0.079 0.000 1.014 41 I CA -0.721 60.498 61.300 -0.134 0.000 1.093 41 I CB 1.676 39.613 38.000 -0.106 0.000 1.267 41 I HN -0.033 nan 8.210 nan 0.000 0.431 42 E N 7.894 128.054 120.200 -0.067 0.000 2.134 42 E HA 0.507 4.858 4.350 0.001 0.000 0.278 42 E C -1.381 175.155 176.600 -0.107 0.000 0.959 42 E CA -0.552 55.818 56.400 -0.049 0.000 0.783 42 E CB 1.952 31.663 29.700 0.018 0.000 1.095 42 E HN 0.462 nan 8.360 nan 0.000 0.399 43 L N 2.267 123.436 121.223 -0.089 0.000 2.376 43 L HA 0.490 4.831 4.340 0.001 0.000 0.275 43 L C -0.146 176.748 176.870 0.040 0.000 0.987 43 L CA -1.044 53.736 54.840 -0.100 0.000 0.828 43 L CB 1.842 43.781 42.059 -0.201 0.000 1.249 43 L HN 0.560 nan 8.230 nan 0.000 0.409 44 A N 4.202 127.086 122.820 0.106 0.000 2.524 44 A HA 0.334 4.655 4.320 0.001 0.000 0.250 44 A C 0.766 178.471 177.584 0.201 0.000 1.078 44 A CA 0.125 52.242 52.037 0.133 0.000 0.761 44 A CB 0.391 19.470 19.000 0.132 0.000 1.012 44 A HN 0.803 nan 8.150 nan 0.000 0.500 45 M N 0.975 120.646 119.600 0.117 0.000 2.449 45 M HA 0.111 4.592 4.480 0.001 0.000 0.262 45 M C 0.876 177.256 176.300 0.133 0.000 1.152 45 M CA 0.960 56.328 55.300 0.113 0.000 1.104 45 M CB -0.368 32.228 32.600 -0.007 0.000 1.416 45 M HN 0.875 nan 8.290 nan 0.000 0.519 46 E N 0.321 120.584 120.200 0.104 0.000 2.562 46 E HA 0.096 4.446 4.350 0.001 0.000 0.214 46 E C 0.101 176.751 176.600 0.084 0.000 0.979 46 E CA 0.026 56.487 56.400 0.102 0.000 1.002 46 E CB 0.921 30.679 29.700 0.097 0.000 1.048 46 E HN 0.360 nan 8.360 nan 0.000 0.488 47 T N -1.726 112.883 114.554 0.091 0.000 2.887 47 T HA 0.557 4.907 4.350 0.001 0.000 0.292 47 T C -0.201 174.554 174.700 0.092 0.000 1.087 47 T CA -0.792 61.354 62.100 0.076 0.000 1.009 47 T CB 2.186 71.096 68.868 0.069 0.000 1.203 47 T HN -0.237 nan 8.240 nan 0.000 0.518 48 T N 1.637 116.237 114.554 0.076 0.000 2.881 48 T HA 0.774 5.124 4.350 0.001 0.000 0.291 48 T C -0.311 174.438 174.700 0.081 0.000 0.990 48 T CA -0.648 61.505 62.100 0.088 0.000 0.976 48 T CB 1.316 70.227 68.868 0.072 0.000 0.970 48 T HN 1.090 nan 8.240 nan 0.000 0.438 49 S N 1.800 117.560 115.700 0.100 0.000 3.070 49 S HA 0.854 5.324 4.470 0.001 0.000 0.320 49 S C 0.337 175.005 174.600 0.114 0.000 1.215 49 S CA -0.781 57.472 58.200 0.088 0.000 0.956 49 S CB 0.524 63.768 63.200 0.073 0.000 1.337 49 S HN 0.896 nan 8.310 nan 0.000 0.639 50 G N -0.200 108.662 108.800 0.103 0.000 2.554 50 G HA2 0.311 4.271 3.960 0.001 0.000 0.238 50 G HA3 0.311 4.271 3.960 0.001 0.000 0.238 50 G C 0.208 175.221 174.900 0.189 0.000 1.259 50 G CA -0.074 45.107 45.100 0.135 0.000 0.843 50 G HN 0.750 nan 8.290 nan 0.000 0.582 51 Y N 1.694 122.068 120.300 0.124 0.000 2.114 51 Y HA -0.244 4.306 4.550 0.001 0.000 0.282 51 Y C 2.541 178.530 175.900 0.148 0.000 1.165 51 Y CA 2.475 60.681 58.100 0.177 0.000 1.148 51 Y CB 0.121 38.696 38.460 0.193 0.000 0.972 51 Y HN 0.509 nan 8.280 nan 0.000 0.504 52 N N 0.116 118.920 118.700 0.173 0.000 2.396 52 N HA -0.138 4.602 4.740 0.001 0.000 0.180 52 N C 1.263 176.772 175.510 -0.001 0.000 1.028 52 N CA 1.381 54.465 53.050 0.057 0.000 0.893 52 N CB -0.354 38.203 38.487 0.117 0.000 0.967 52 N HN 0.519 nan 8.380 nan 0.000 0.440 53 D N 0.508 120.925 120.400 0.029 0.000 2.137 53 D HA 0.062 4.702 4.640 0.001 0.000 0.202 53 D C 1.915 178.220 176.300 0.008 0.000 0.970 53 D CA 0.762 54.776 54.000 0.024 0.000 0.837 53 D CB 0.185 41.014 40.800 0.048 0.000 0.981 53 D HN 0.110 nan 8.370 nan 0.000 0.475 54 M N -0.454 119.154 119.600 0.014 0.000 2.288 54 M HA 0.042 4.523 4.480 0.001 0.000 0.266 54 M C 0.134 176.394 176.300 -0.066 0.000 1.072 54 M CA 0.511 55.835 55.300 0.040 0.000 1.132 54 M CB 0.715 33.416 32.600 0.169 0.000 1.386 54 M HN -0.212 nan 8.290 nan 0.000 0.432 55 V N 1.532 121.316 119.914 -0.216 0.000 2.357 55 V HA 0.278 4.398 4.120 0.001 0.000 0.284 55 V C -0.815 175.113 176.094 -0.276 0.000 1.018 55 V CA -0.686 61.412 62.300 -0.337 0.000 0.841 55 V CB 1.352 32.820 31.823 -0.592 0.000 0.991 55 V HN 0.153 nan 8.190 nan 0.000 0.437 56 K N 4.484 124.737 120.400 -0.244 0.000 2.535 56 K HA 0.488 4.809 4.320 0.001 0.000 0.253 56 K C -1.268 175.089 176.600 -0.405 0.000 0.953 56 K CA -0.434 55.684 56.287 -0.282 0.000 0.863 56 K CB 1.740 34.124 32.500 -0.194 0.000 1.111 56 K HN 0.614 nan 8.250 nan 0.000 0.431 57 Y N 3.016 122.986 120.300 -0.550 0.000 2.342 57 Y HA 0.351 4.902 4.550 0.001 0.000 0.334 57 Y C -0.477 175.059 175.900 -0.606 0.000 1.067 57 Y CA -0.387 57.406 58.100 -0.511 0.000 1.128 57 Y CB 0.932 39.146 38.460 -0.410 0.000 1.200 57 Y HN 0.557 nan 8.280 nan 0.000 0.464 58 H N 5.187 123.820 119.070 -0.728 0.000 2.529 58 H HA 0.172 4.729 4.556 0.001 0.000 0.348 58 H C 0.307 175.301 175.328 -0.557 0.000 1.079 58 H CA -0.647 55.127 56.048 -0.456 0.000 1.198 58 H CB 2.001 31.571 29.762 -0.320 0.000 1.521 58 H HN 0.765 nan 8.280 nan 0.000 0.514 59 E N 2.115 122.239 120.200 -0.127 0.000 2.204 59 E HA -0.005 4.346 4.350 0.001 0.000 0.195 59 E C 0.254 176.805 176.600 -0.081 0.000 0.990 59 E CA 0.746 57.116 56.400 -0.051 0.000 0.821 59 E CB 0.422 30.132 29.700 0.017 0.000 0.750 59 E HN 0.472 nan 8.360 nan 0.000 0.477 60 L N 0.255 121.428 121.223 -0.083 0.000 2.381 60 L HA 0.462 4.802 4.340 0.001 0.000 0.274 60 L C -0.318 176.483 176.870 -0.116 0.000 0.988 60 L CA -0.948 53.839 54.840 -0.088 0.000 0.824 60 L CB 1.966 43.981 42.059 -0.072 0.000 1.263 60 L HN -0.209 nan 8.230 nan 0.000 0.410 61 A N 3.259 126.016 122.820 -0.105 0.000 2.401 61 A HA 0.349 4.669 4.320 0.001 0.000 0.259 61 A C -0.099 177.361 177.584 -0.208 0.000 1.103 61 A CA -0.305 51.648 52.037 -0.139 0.000 0.789 61 A CB 0.130 19.092 19.000 -0.063 0.000 1.035 61 A HN 0.695 nan 8.150 nan 0.000 0.491 62 K N 2.663 122.911 120.400 -0.255 0.000 2.310 62 K HA 0.282 4.602 4.320 0.001 0.000 0.290 62 K C -0.574 175.753 176.600 -0.456 0.000 1.077 62 K CA -0.037 56.069 56.287 -0.302 0.000 0.922 62 K CB 0.421 32.776 32.500 -0.241 0.000 1.057 62 K HN 0.509 nan 8.250 nan 0.000 0.479 63 I N 3.218 123.332 120.570 -0.760 0.000 2.353 63 I HA 0.262 4.433 4.170 0.001 0.000 0.293 63 I C 0.015 175.602 176.117 -0.884 0.000 0.992 63 I CA -0.443 60.078 61.300 -1.297 0.000 1.268 63 I CB 1.158 38.089 38.000 -1.782 0.000 1.387 63 I HN 0.551 nan 8.210 nan 0.000 0.478 64 K N 5.871 125.912 120.400 -0.598 0.000 2.640 64 K HA 0.572 4.893 4.320 0.001 0.000 0.245 64 K C -1.955 174.679 176.600 0.058 0.000 0.962 64 K CA -0.344 55.852 56.287 -0.152 0.000 0.896 64 K CB 1.670 34.156 32.500 -0.023 0.000 1.147 64 K HN 0.420 nan 8.250 nan 0.000 0.445 65 V N 4.373 124.324 119.914 0.062 0.000 2.448 65 V HA 0.399 4.520 4.120 0.001 0.000 0.295 65 V C -0.503 175.646 176.094 0.092 0.000 1.025 65 V CA -0.870 61.524 62.300 0.156 0.000 0.859 65 V CB 1.668 33.627 31.823 0.226 0.000 0.988 65 V HN 0.658 nan 8.190 nan 0.000 0.431 66 K N 4.879 125.320 120.400 0.069 0.000 2.182 66 K HA 0.726 5.046 4.320 0.001 0.000 0.262 66 K C -1.024 175.598 176.600 0.036 0.000 0.957 66 K CA -0.338 55.924 56.287 -0.041 0.000 0.842 66 K CB 1.830 34.299 32.500 -0.051 0.000 1.099 66 K HN 0.637 nan 8.250 nan 0.000 0.438 67 F N -0.534 119.332 119.950 -0.140 0.000 2.603 67 F HA 0.565 5.092 4.527 0.001 0.000 0.317 67 F C -0.763 174.879 175.800 -0.264 0.000 1.066 67 F CA -1.167 56.735 58.000 -0.164 0.000 0.941 67 F CB 1.273 40.189 39.000 -0.140 0.000 1.291 67 F HN 0.236 nan 8.300 nan 0.000 0.472 68 N N 1.293 119.908 118.700 -0.141 0.000 2.319 68 N HA 0.376 5.116 4.740 0.001 0.000 0.305 68 N C -1.533 173.815 175.510 -0.271 0.000 1.103 68 N CA -0.707 52.023 53.050 -0.533 0.000 0.815 68 N CB 2.160 39.966 38.487 -1.135 0.000 1.288 68 N HN 0.764 nan 8.380 nan 0.000 0.493 69 Q N 0.618 120.208 119.800 -0.350 0.000 3.394 69 Q HA 0.214 4.554 4.340 0.001 0.000 0.285 69 Q C 0.073 176.040 176.000 -0.055 0.000 0.866 69 Q CA -0.380 55.363 55.803 -0.099 0.000 0.844 69 Q CB 0.995 29.737 28.738 0.006 0.000 1.472 69 Q HN 0.638 nan 8.270 nan 0.000 0.401 70 W N 0.228 121.557 121.300 0.049 0.000 2.519 70 W HA 0.099 4.759 4.660 0.001 0.000 0.266 70 W C 0.296 176.832 176.519 0.029 0.000 1.253 70 W CA 0.386 57.751 57.345 0.032 0.000 1.274 70 W CB 0.464 29.940 29.460 0.026 0.000 1.114 70 W HN 0.179 nan 8.180 nan 0.000 0.596 71 S N -1.318 114.520 115.700 0.229 0.000 2.607 71 S HA 0.681 5.151 4.470 0.001 0.000 0.303 71 S C 0.495 175.155 174.600 0.099 0.000 1.086 71 S CA -0.044 58.243 58.200 0.144 0.000 0.995 71 S CB 2.135 65.408 63.200 0.123 0.000 1.084 71 S HN 0.349 nan 8.310 nan 0.000 0.507 72 G N 1.754 110.600 108.800 0.076 0.000 2.569 72 G HA2 -0.211 3.749 3.960 0.001 0.000 0.259 72 G HA3 -0.211 3.749 3.960 0.001 0.000 0.259 72 G C -0.053 174.880 174.900 0.055 0.000 1.263 72 G CA -0.100 45.035 45.100 0.058 0.000 0.928 72 G HN 1.344 nan 8.290 nan 0.000 0.572 73 T N -2.582 112.000 114.554 0.046 0.000 2.907 73 T HA 0.664 5.015 4.350 0.001 0.000 0.284 73 T C 1.488 176.217 174.700 0.048 0.000 1.004 73 T CA 0.765 62.891 62.100 0.043 0.000 1.063 73 T CB 1.675 70.565 68.868 0.035 0.000 0.992 73 T HN 1.962 nan 8.240 nan 0.000 0.483 74 S N 1.375 117.104 115.700 0.049 0.000 2.470 74 S HA 0.496 4.966 4.470 0.001 0.000 0.222 74 S C 1.427 176.072 174.600 0.076 0.000 1.024 74 S CA 0.143 58.381 58.200 0.063 0.000 0.931 74 S CB -1.075 62.156 63.200 0.051 0.000 0.791 74 S HN 2.007 nan 8.310 nan 0.000 0.513 75 G N 1.378 110.212 108.800 0.057 0.000 2.698 75 G HA2 -0.144 3.816 3.960 0.001 0.000 0.225 75 G HA3 -0.144 3.816 3.960 0.001 0.000 0.225 75 G C -0.490 174.444 174.900 0.055 0.000 1.345 75 G CA 0.082 45.214 45.100 0.053 0.000 0.871 75 G HN 0.290 nan 8.290 nan 0.000 0.540 76 D N -0.621 119.805 120.400 0.044 0.000 2.394 76 D HA 0.219 4.859 4.640 0.001 0.000 0.226 76 D C 1.159 177.478 176.300 0.033 0.000 0.990 76 D CA 1.696 55.714 54.000 0.031 0.000 0.902 76 D CB 0.385 41.189 40.800 0.008 0.000 1.038 76 D HN 0.528 nan 8.370 nan 0.000 0.499 77 T N 0.326 114.899 114.554 0.031 0.000 2.893 77 T HA 0.429 4.779 4.350 0.001 0.000 0.293 77 T C -0.880 173.848 174.700 0.047 0.000 1.027 77 T CA -0.801 61.285 62.100 -0.023 0.000 0.988 77 T CB 1.806 70.628 68.868 -0.076 0.000 1.043 77 T HN 0.023 nan 8.240 nan 0.000 0.461 78 Y N 0.620 120.929 120.300 0.015 0.000 2.487 78 Y HA 0.824 5.375 4.550 0.001 0.000 0.337 78 Y C -0.637 175.192 175.900 -0.119 0.000 1.076 78 Y CA -1.314 56.768 58.100 -0.030 0.000 1.115 78 Y CB 1.298 39.804 38.460 0.077 0.000 1.235 78 Y HN 0.373 nan 8.280 nan 0.000 0.468 79 N N 1.560 120.283 118.700 0.038 0.000 2.295 79 N HA 0.466 5.206 4.740 0.001 0.000 0.293 79 N C -1.780 173.558 175.510 -0.287 0.000 1.040 79 N CA -0.626 52.296 53.050 -0.213 0.000 0.840 79 N CB 2.791 41.085 38.487 -0.322 0.000 1.468 79 N HN 0.539 nan 8.380 nan 0.000 0.478 80 V N 2.722 122.367 119.914 -0.449 0.000 2.398 80 V HA 0.439 4.559 4.120 0.001 0.000 0.286 80 V C -0.912 174.800 176.094 -0.636 0.000 1.026 80 V CA -0.516 61.527 62.300 -0.429 0.000 0.868 80 V CB 0.331 31.867 31.823 -0.478 0.000 0.982 80 V HN 0.492 nan 8.190 nan 0.000 0.443 81 Y N 3.950 124.188 120.300 -0.104 0.000 2.393 81 Y HA 0.653 5.203 4.550 0.001 0.000 0.341 81 Y C -0.451 175.576 175.900 0.211 0.000 0.988 81 Y CA -0.889 57.188 58.100 -0.039 0.000 1.078 81 Y CB 1.769 40.225 38.460 -0.006 0.000 1.203 81 Y HN 0.451 nan 8.280 nan 0.000 0.453 82 F N 2.964 122.919 119.950 0.009 0.000 2.375 82 F HA 0.252 4.780 4.527 0.001 0.000 0.361 82 F C 0.117 175.980 175.800 0.105 0.000 1.117 82 F CA -1.803 56.184 58.000 -0.021 0.000 1.037 82 F CB 0.849 39.642 39.000 -0.344 0.000 1.192 82 F HN 0.626 nan 8.300 nan 0.000 0.452 83 D N 2.591 123.169 120.400 0.297 0.000 2.701 83 D HA -0.193 4.447 4.640 0.001 0.000 0.235 83 D C 1.455 177.851 176.300 0.161 0.000 1.155 83 D CA 1.548 55.671 54.000 0.205 0.000 0.649 83 D CB -0.935 40.003 40.800 0.230 0.000 1.050 83 D HN 1.046 nan 8.370 nan 0.000 0.425 84 G N -2.343 106.546 108.800 0.148 0.000 2.205 84 G HA2 -0.330 3.631 3.960 0.001 0.000 0.261 84 G HA3 -0.330 3.631 3.960 0.001 0.000 0.261 84 G C 0.386 175.396 174.900 0.182 0.000 0.980 84 G CA 0.276 45.414 45.100 0.062 0.000 0.632 84 G HN 0.608 nan 8.290 nan 0.000 0.533 85 V N 1.363 121.424 119.914 0.245 0.000 2.407 85 V HA 0.469 4.590 4.120 0.001 0.000 0.278 85 V C 0.763 176.948 176.094 0.152 0.000 1.037 85 V CA -0.583 61.840 62.300 0.205 0.000 0.900 85 V CB 1.615 33.522 31.823 0.141 0.000 0.983 85 V HN 0.427 nan 8.190 nan 0.000 0.459 86 K N 3.438 123.873 120.400 0.059 0.000 2.416 86 K HA 0.210 4.530 4.320 0.001 0.000 0.283 86 K C 0.653 177.039 176.600 -0.356 0.000 1.037 86 K CA 0.090 56.168 56.287 -0.348 0.000 0.995 86 K CB 0.918 33.194 32.500 -0.373 0.000 0.938 86 K HN 0.626 nan 8.250 nan 0.000 0.475 87 V N 0.641 120.206 119.914 -0.583 0.000 3.562 87 V HA 0.518 4.639 4.120 0.001 0.000 0.270 87 V C 0.092 175.732 176.094 -0.756 0.000 1.418 87 V CA 0.309 62.229 62.300 -0.633 0.000 1.033 87 V CB 0.057 31.272 31.823 -1.012 0.000 0.820 87 V HN 0.658 nan 8.190 nan 0.000 0.441 88 A N -0.687 121.646 122.820 -0.812 0.000 2.612 88 A HA 0.844 5.165 4.320 0.001 0.000 0.293 88 A C -0.612 176.701 177.584 -0.453 0.000 1.075 88 A CA 0.218 51.834 52.037 -0.701 0.000 0.680 88 A CB 1.812 20.090 19.000 -1.204 0.000 1.279 88 A HN 0.401 nan 8.150 nan 0.000 0.411 89 T N -1.030 113.312 114.554 -0.354 0.000 2.821 89 T HA 0.826 5.177 4.350 0.001 0.000 0.306 89 T C -0.266 174.015 174.700 -0.698 0.000 1.313 89 T CA 0.566 62.367 62.100 -0.499 0.000 1.012 89 T CB 1.616 70.256 68.868 -0.380 0.000 1.298 89 T HN 2.561 nan 8.240 nan 0.000 0.502 90 G N 0.552 108.655 108.800 -1.162 0.000 2.321 90 G HA2 0.644 4.604 3.960 0.001 0.000 0.296 90 G HA3 0.644 4.604 3.960 0.001 0.000 0.296 90 G C -1.286 173.193 174.900 -0.703 0.000 1.287 90 G CA -0.019 44.556 45.100 -0.875 0.000 0.846 90 G HN 1.060 nan 8.290 nan 0.000 0.508 91 A N -0.692 121.999 122.820 -0.215 0.000 2.295 91 A HA 0.824 5.144 4.320 0.001 0.000 0.318 91 A C -0.276 177.414 177.584 0.177 0.000 1.134 91 A CA -0.491 51.532 52.037 -0.024 0.000 0.827 91 A CB 0.516 19.509 19.000 -0.012 0.000 1.136 91 A HN 0.749 nan 8.150 nan 0.000 0.493 92 I N 1.289 121.952 120.570 0.155 0.000 2.378 92 I HA 0.327 4.498 4.170 0.001 0.000 0.291 92 I C 0.133 176.289 176.117 0.064 0.000 0.992 92 I CA -0.149 61.242 61.300 0.152 0.000 1.154 92 I CB 2.107 40.226 38.000 0.198 0.000 1.315 92 I HN 0.660 nan 8.210 nan 0.000 0.448 93 T N 3.561 118.131 114.554 0.027 0.000 3.288 93 T HA 0.508 4.858 4.350 0.001 0.000 0.293 93 T C 0.304 175.002 174.700 -0.003 0.000 1.008 93 T CA -0.357 61.750 62.100 0.011 0.000 0.929 93 T CB 0.523 69.395 68.868 0.007 0.000 1.152 93 T HN 0.939 nan 8.240 nan 0.000 0.517 94 G N 0.578 109.370 108.800 -0.013 0.000 2.336 94 G HA2 0.300 4.260 3.960 0.001 0.000 0.286 94 G HA3 0.300 4.260 3.960 0.001 0.000 0.286 94 G C 0.431 175.301 174.900 -0.050 0.000 1.269 94 G CA 0.149 45.237 45.100 -0.019 0.000 0.873 94 G HN -0.152 nan 8.290 nan 0.000 0.494 95 S N -1.043 114.625 115.700 -0.055 0.000 2.428 95 S HA 0.119 4.590 4.470 0.001 0.000 0.230 95 S C 0.842 175.252 174.600 -0.318 0.000 1.014 95 S CA 1.843 59.970 58.200 -0.122 0.000 0.957 95 S CB -0.289 62.908 63.200 -0.005 0.000 0.784 95 S HN 0.439 nan 8.310 nan 0.000 0.499 96 Q N 0.379 120.013 119.800 -0.278 0.000 2.356 96 Q HA 0.509 4.849 4.340 0.001 0.000 0.270 96 Q C -1.464 174.296 176.000 -0.400 0.000 1.058 96 Q CA -0.460 55.111 55.803 -0.386 0.000 0.802 96 Q CB 2.395 30.971 28.738 -0.271 0.000 1.303 96 Q HN 0.130 nan 8.270 nan 0.000 0.444 97 T N 1.060 115.209 114.554 -0.675 0.000 2.916 97 T HA 0.439 4.789 4.350 0.001 0.000 0.298 97 T C -0.789 173.462 174.700 -0.749 0.000 1.031 97 T CA -0.624 61.025 62.100 -0.751 0.000 0.993 97 T CB 1.731 69.972 68.868 -1.045 0.000 1.045 97 T HN 0.380 nan 8.240 nan 0.000 0.454 98 T N 2.580 116.895 114.554 -0.399 0.000 2.758 98 T HA 0.640 4.991 4.350 0.001 0.000 0.285 98 T C -0.110 174.484 174.700 -0.176 0.000 0.981 98 T CA -0.573 61.380 62.100 -0.246 0.000 0.965 98 T CB 1.033 69.828 68.868 -0.121 0.000 0.927 98 T HN 0.752 nan 8.240 nan 0.000 0.448 99 A N 3.157 125.896 122.820 -0.136 0.000 2.280 99 A HA 0.647 4.967 4.320 0.001 0.000 0.320 99 A C 0.199 177.878 177.584 0.160 0.000 1.366 99 A CA -0.624 51.405 52.037 -0.013 0.000 0.938 99 A CB 0.348 19.260 19.000 -0.147 0.000 1.157 99 A HN 0.669 nan 8.150 nan 0.000 0.536 100 S N 2.108 117.914 115.700 0.178 0.000 2.437 100 S HA 0.822 5.293 4.470 0.001 0.000 0.305 100 S C -0.663 174.057 174.600 0.200 0.000 1.109 100 S CA -0.353 57.894 58.200 0.079 0.000 1.099 100 S CB 0.378 63.584 63.200 0.010 0.000 1.004 100 S HN 0.852 nan 8.310 nan 0.000 0.475 101 F N -0.105 119.787 119.950 -0.097 0.000 2.779 101 F HA 0.702 5.229 4.527 0.001 0.000 0.316 101 F C -0.957 174.771 175.800 -0.120 0.000 1.164 101 F CA -1.238 56.702 58.000 -0.100 0.000 0.924 101 F CB 0.898 39.833 39.000 -0.108 0.000 1.348 101 F HN 0.336 nan 8.300 nan 0.000 0.467 102 E N 0.174 120.405 120.200 0.052 0.000 2.207 102 E HA 0.499 4.849 4.350 0.001 0.000 0.270 102 E C -2.192 174.489 176.600 0.135 0.000 0.927 102 E CA -1.001 55.375 56.400 -0.041 0.000 0.799 102 E CB 2.948 32.623 29.700 -0.041 0.000 1.172 102 E HN 0.642 nan 8.360 nan 0.000 0.404 103 Y N -0.654 119.588 120.300 -0.096 0.000 2.479 103 Y HA 0.420 4.970 4.550 0.001 0.000 0.338 103 Y C 0.272 176.159 175.900 -0.022 0.000 1.055 103 Y CA -0.500 57.585 58.100 -0.025 0.000 1.023 103 Y CB 2.019 40.500 38.460 0.035 0.000 1.287 103 Y HN 0.625 nan 8.280 nan 0.000 0.447 104 G N 2.465 111.030 108.800 -0.392 0.000 3.044 104 G HA2 0.047 4.007 3.960 0.001 0.000 0.223 104 G HA3 0.047 4.007 3.960 0.001 0.000 0.223 104 G C -0.358 174.460 174.900 -0.137 0.000 1.123 104 G CA -0.010 44.967 45.100 -0.206 0.000 0.765 104 G HN 0.395 nan 8.290 nan 0.000 0.546 105 Q N 1.151 120.819 119.800 -0.220 0.000 2.314 105 Q HA 0.583 4.924 4.340 0.001 0.000 0.259 105 Q C 0.522 176.757 176.000 0.391 0.000 0.951 105 Q CA -0.352 55.508 55.803 0.096 0.000 0.909 105 Q CB 1.228 30.038 28.738 0.119 0.000 1.236 105 Q HN 0.131 nan 8.270 nan 0.000 0.444 106 G N 1.675 110.650 108.800 0.292 0.000 2.594 106 G HA2 0.546 4.507 3.960 0.001 0.000 0.243 106 G HA3 0.546 4.507 3.960 0.001 0.000 0.243 106 G C -0.092 174.999 174.900 0.318 0.000 1.229 106 G CA 0.315 45.593 45.100 0.297 0.000 0.843 106 G HN 0.957 nan 8.290 nan 0.000 0.578 107 G N -0.958 107.980 108.800 0.230 0.000 2.340 107 G HA2 0.312 4.273 3.960 0.001 0.000 0.282 107 G HA3 0.312 4.273 3.960 0.001 0.000 0.282 107 G C -1.350 173.431 174.900 -0.199 0.000 1.312 107 G CA -0.946 44.121 45.100 -0.055 0.000 0.942 107 G HN 0.873 nan 8.290 nan 0.000 0.495 108 L N 0.207 121.158 121.223 -0.453 0.000 2.333 108 L HA 0.717 5.058 4.340 0.001 0.000 0.280 108 L C -1.070 175.443 176.870 -0.595 0.000 1.004 108 L CA -0.803 53.831 54.840 -0.343 0.000 0.820 108 L CB 1.687 43.644 42.059 -0.170 0.000 1.247 108 L HN 0.580 nan 8.230 nan 0.000 0.416 109 Y N 0.769 120.957 120.300 -0.186 0.000 2.512 109 Y HA 0.345 4.895 4.550 0.001 0.000 0.348 109 Y C -0.181 175.595 175.900 -0.206 0.000 0.990 109 Y CA -1.067 56.887 58.100 -0.242 0.000 1.033 109 Y CB 1.836 39.961 38.460 -0.559 0.000 1.259 109 Y HN 0.408 nan 8.280 nan 0.000 0.461 110 Q N 3.546 123.377 119.800 0.053 0.000 2.344 110 Q HA 0.211 4.552 4.340 0.001 0.000 0.253 110 Q C -0.604 175.443 176.000 0.078 0.000 1.050 110 Q CA 0.079 55.907 55.803 0.043 0.000 0.912 110 Q CB 1.297 30.064 28.738 0.049 0.000 1.258 110 Q HN 0.722 nan 8.270 nan 0.000 0.443 111 M N 3.063 122.697 119.600 0.057 0.000 2.157 111 M HA 0.239 4.719 4.480 0.001 0.000 0.354 111 M C -0.775 175.605 176.300 0.134 0.000 1.170 111 M CA -0.055 55.333 55.300 0.148 0.000 1.060 111 M CB 0.809 33.493 32.600 0.141 0.000 1.615 111 M HN 0.422 nan 8.290 nan 0.000 0.460 112 E N 4.922 125.227 120.200 0.176 0.000 2.222 112 E HA 0.548 4.899 4.350 0.001 0.000 0.267 112 E C -1.349 175.330 176.600 0.132 0.000 0.884 112 E CA -0.601 55.871 56.400 0.119 0.000 0.764 112 E CB 2.772 32.524 29.700 0.087 0.000 1.169 112 E HN 0.655 nan 8.360 nan 0.000 0.413 113 I N 1.975 122.545 120.570 0.001 0.000 2.433 113 I HA 0.280 4.451 4.170 0.001 0.000 0.292 113 I C -0.269 175.768 176.117 -0.134 0.000 1.001 113 I CA -0.563 60.658 61.300 -0.133 0.000 1.119 113 I CB 1.728 39.481 38.000 -0.412 0.000 1.289 113 I HN 0.487 nan 8.210 nan 0.000 0.438 114 E N 5.104 125.276 120.200 -0.047 0.000 2.183 114 E HA 0.723 5.073 4.350 0.001 0.000 0.271 114 E C -1.322 175.262 176.600 -0.028 0.000 0.919 114 E CA -0.747 55.661 56.400 0.014 0.000 0.781 114 E CB 1.963 31.785 29.700 0.203 0.000 1.140 114 E HN 0.722 nan 8.360 nan 0.000 0.402 115 A N 3.421 126.228 122.820 -0.021 0.000 2.318 115 A HA 0.601 4.921 4.320 0.001 0.000 0.324 115 A C -1.037 176.568 177.584 0.034 0.000 1.170 115 A CA -0.608 51.445 52.037 0.028 0.000 0.810 115 A CB 0.766 19.789 19.000 0.038 0.000 1.198 115 A HN 0.702 nan 8.150 nan 0.000 0.484 116 c N 2.108 120.732 118.600 0.040 0.000 2.563 116 c HA 0.827 5.397 4.570 0.001 0.000 0.314 116 c C -0.364 173.740 174.090 0.022 0.000 1.199 116 c CA -0.581 55.763 56.329 0.024 0.000 1.564 116 c CB 1.513 44.031 42.510 0.013 0.000 2.173 116 c HN 1.040 nan 8.230 nan 0.000 0.485 117 D N 0.846 121.256 120.400 0.016 0.000 2.801 117 D HA 0.571 5.211 4.640 0.001 0.000 0.277 117 D C 0.738 177.041 176.300 0.006 0.000 1.125 117 D CA -0.310 53.697 54.000 0.012 0.000 1.102 117 D CB 0.424 41.234 40.800 0.017 0.000 1.400 117 D HN 0.425 nan 8.370 nan 0.000 0.601 118 A N -0.905 121.918 122.820 0.005 0.000 2.015 118 A HA -0.017 4.303 4.320 0.001 0.000 0.219 118 A C 1.787 179.373 177.584 0.002 0.000 1.163 118 A CA 2.310 54.348 52.037 0.002 0.000 0.646 118 A CB -1.239 17.762 19.000 0.001 0.000 0.806 118 A HN 0.686 nan 8.150 nan 0.000 0.448 119 T N -4.448 110.109 114.554 0.005 0.000 3.081 119 T HA 0.489 4.840 4.350 0.001 0.000 0.250 119 T C 0.813 175.515 174.700 0.005 0.000 1.100 119 T CA 0.808 62.911 62.100 0.005 0.000 1.038 119 T CB 0.293 69.165 68.868 0.007 0.000 0.962 119 T HN 1.495 nan 8.240 nan 0.000 0.516 120 G N -0.600 108.203 108.800 0.005 0.000 2.359 120 G HA2 0.366 4.327 3.960 0.001 0.000 0.293 120 G HA3 0.366 4.327 3.960 0.001 0.000 0.293 120 G C -1.606 173.298 174.900 0.008 0.000 1.300 120 G CA -0.562 44.540 45.100 0.005 0.000 0.888 120 G HN 0.426 nan 8.290 nan 0.000 0.541 121 c N -0.272 118.332 118.600 0.006 0.000 2.561 121 c HA 0.924 5.494 4.570 0.001 0.000 0.319 121 c C 0.261 174.353 174.090 0.003 0.000 1.198 121 c CA -0.501 55.834 56.329 0.010 0.000 1.665 121 c CB 1.355 43.876 42.510 0.017 0.000 2.258 121 c HN 0.844 nan 8.230 nan 0.000 0.493 122 S N 1.488 117.190 115.700 0.003 0.000 2.557 122 S HA 0.479 4.950 4.470 0.001 0.000 0.291 122 S C -0.967 173.624 174.600 -0.015 0.000 1.116 122 S CA -0.714 57.483 58.200 -0.005 0.000 0.992 122 S CB 1.135 64.335 63.200 0.001 0.000 1.028 122 S HN 0.617 nan 8.310 nan 0.000 0.484 123 K N 1.795 122.181 120.400 -0.023 0.000 2.123 123 K HA 0.492 4.812 4.320 0.001 0.000 0.259 123 K C 0.382 176.963 176.600 -0.033 0.000 0.960 123 K CA -0.534 55.735 56.287 -0.030 0.000 0.872 123 K CB 1.516 33.990 32.500 -0.044 0.000 1.079 123 K HN 0.778 nan 8.250 nan 0.000 0.440 124 S N 0.880 116.554 115.700 -0.044 0.000 2.589 124 S HA 0.284 4.754 4.470 0.001 0.000 0.265 124 S C 0.266 174.859 174.600 -0.012 0.000 1.342 124 S CA -0.918 57.263 58.200 -0.032 0.000 1.005 124 S CB 0.961 64.131 63.200 -0.050 0.000 0.909 124 S HN 0.629 nan 8.310 nan 0.000 0.555 125 A N 2.373 125.193 122.820 0.000 0.000 2.462 125 A HA 0.515 4.836 4.320 0.001 0.000 0.243 125 A C -1.935 175.657 177.584 0.013 0.000 1.076 125 A CA -1.396 50.645 52.037 0.006 0.000 0.773 125 A CB -0.784 18.223 19.000 0.012 0.000 1.010 125 A HN 0.784 nan 8.150 nan 0.000 0.493 126 P HA 0.295 nan 4.420 nan 0.000 0.271 126 P C -0.656 176.659 177.300 0.025 0.000 1.216 126 P CA 0.095 63.209 63.100 0.024 0.000 0.776 126 P CB 1.145 32.856 31.700 0.019 0.000 0.881 127 V N 1.843 121.777 119.914 0.033 0.000 2.971 127 V HA 0.266 4.387 4.120 0.001 0.000 0.309 127 V C -0.542 175.565 176.094 0.022 0.000 1.130 127 V CA -1.026 61.291 62.300 0.029 0.000 0.964 127 V CB 2.121 33.967 31.823 0.039 0.000 1.029 127 V HN 0.605 nan 8.190 nan 0.000 0.427 128 E N 4.500 124.706 120.200 0.010 0.000 2.290 128 E HA 0.358 4.708 4.350 0.001 0.000 0.277 128 E C -0.776 175.822 176.600 -0.003 0.000 1.035 128 E CA -0.220 56.176 56.400 -0.008 0.000 0.873 128 E CB 1.137 30.829 29.700 -0.014 0.000 1.029 128 E HN 0.654 nan 8.360 nan 0.000 0.419 129 I N 3.695 124.246 120.570 -0.033 0.000 2.412 129 I HA 0.256 4.427 4.170 0.001 0.000 0.296 129 I C -0.805 175.327 176.117 0.024 0.000 0.987 129 I CA -0.373 60.927 61.300 0.000 0.000 1.180 129 I CB 1.639 39.596 38.000 -0.072 0.000 1.340 129 I HN 0.428 nan 8.210 nan 0.000 0.455 130 T N 8.211 122.812 114.554 0.079 0.000 2.758 130 T HA 0.527 4.877 4.350 0.001 0.000 0.285 130 T C -0.246 174.549 174.700 0.157 0.000 0.981 130 T CA -0.202 61.952 62.100 0.089 0.000 0.965 130 T CB 0.620 69.519 68.868 0.051 0.000 0.927 130 T HN 0.319 nan 8.240 nan 0.000 0.448 131 I N 3.040 123.716 120.570 0.177 0.000 2.390 131 I HA 0.484 4.655 4.170 0.001 0.000 0.283 131 I C 0.514 176.651 176.117 0.033 0.000 1.016 131 I CA -0.944 60.462 61.300 0.177 0.000 1.151 131 I CB 1.189 39.365 38.000 0.293 0.000 1.293 131 I HN 0.628 nan 8.210 nan 0.000 0.458 132 A N 4.573 127.278 122.820 -0.192 0.000 2.401 132 A HA 0.503 4.824 4.320 0.001 0.000 0.259 132 A C -0.569 176.846 177.584 -0.282 0.000 1.103 132 A CA 0.107 51.725 52.037 -0.699 0.000 0.789 132 A CB 0.523 19.030 19.000 -0.821 0.000 1.035 132 A HN 0.671 nan 8.150 nan 0.000 0.491 133 D N -0.234 120.093 120.400 -0.122 0.000 2.570 133 D HA 0.418 5.059 4.640 0.001 0.000 0.244 133 D C 0.978 177.423 176.300 0.241 0.000 1.178 133 D CA 0.399 54.466 54.000 0.112 0.000 0.881 133 D CB 1.645 42.546 40.800 0.169 0.000 1.453 133 D HN 0.431 nan 8.370 nan 0.000 0.447 134 T N -1.815 112.890 114.554 0.251 0.000 3.194 134 T HA 0.002 4.353 4.350 0.001 0.000 0.251 134 T C 0.707 175.590 174.700 0.306 0.000 1.132 134 T CA 0.374 62.654 62.100 0.300 0.000 1.028 134 T CB -0.197 68.812 68.868 0.236 0.000 0.976 134 T HN 0.379 nan 8.240 nan 0.000 0.535 135 D N 0.822 121.359 120.400 0.228 0.000 2.349 135 D HA 0.179 4.820 4.640 0.001 0.000 0.215 135 D C 1.692 178.069 176.300 0.129 0.000 1.016 135 D CA 0.487 54.594 54.000 0.177 0.000 0.870 135 D CB -0.827 40.052 40.800 0.132 0.000 0.917 135 D HN 0.504 nan 8.370 nan 0.000 0.524 136 G N 0.524 109.417 108.800 0.156 0.000 2.148 136 G HA2 -0.364 3.596 3.960 0.001 0.000 0.254 136 G HA3 -0.364 3.596 3.960 0.001 0.000 0.254 136 G C 1.154 176.038 174.900 -0.027 0.000 0.981 136 G CA 0.916 46.019 45.100 0.005 0.000 0.670 136 G HN 0.606 nan 8.290 nan 0.000 0.528 137 S N 0.383 116.157 115.700 0.123 0.000 2.440 137 S HA -0.167 4.303 4.470 0.001 0.000 0.238 137 S C 1.865 176.503 174.600 0.063 0.000 1.010 137 S CA 1.673 59.922 58.200 0.081 0.000 0.972 137 S CB -0.577 62.693 63.200 0.117 0.000 0.774 137 S HN 1.100 nan 8.310 nan 0.000 0.501 138 H N 0.559 119.631 119.070 0.003 0.000 2.539 138 H HA 0.442 4.999 4.556 0.001 0.000 0.267 138 H C 0.336 175.653 175.328 -0.018 0.000 0.982 138 H CA -0.367 55.674 56.048 -0.011 0.000 1.146 138 H CB -0.385 29.390 29.762 0.022 0.000 1.382 138 H HN 0.369 nan 8.280 nan 0.000 0.577 139 L N 1.675 122.639 121.223 -0.431 0.000 2.331 139 L HA 0.329 4.670 4.340 0.001 0.000 0.275 139 L C 0.138 176.898 176.870 -0.185 0.000 1.022 139 L CA -1.189 53.436 54.840 -0.358 0.000 0.812 139 L CB 1.672 43.472 42.059 -0.431 0.000 1.257 139 L HN -0.132 nan 8.230 nan 0.000 0.435 140 K N 2.041 122.358 120.400 -0.137 0.000 2.270 140 K HA 0.296 4.616 4.320 0.001 0.000 0.276 140 K C -2.294 174.238 176.600 -0.113 0.000 1.023 140 K CA -1.854 54.371 56.287 -0.104 0.000 0.955 140 K CB 0.240 32.691 32.500 -0.082 0.000 0.975 140 K HN 0.205 nan 8.250 nan 0.000 0.471 141 P HA -0.099 nan 4.420 nan 0.000 0.263 141 P C -0.153 177.081 177.300 -0.109 0.000 1.175 141 P CA -0.265 62.775 63.100 -0.100 0.000 0.761 141 P CB 0.287 31.939 31.700 -0.081 0.000 0.794 142 L N 4.191 125.338 121.223 -0.127 0.000 2.490 142 L HA 0.069 4.410 4.340 0.001 0.000 0.274 142 L C 0.142 176.938 176.870 -0.124 0.000 1.201 142 L CA 1.059 55.814 54.840 -0.143 0.000 0.869 142 L CB -0.113 41.842 42.059 -0.174 0.000 1.123 142 L HN 0.327 nan 8.230 nan 0.000 0.484 143 T N 6.609 121.089 114.554 -0.123 0.000 2.794 143 T HA 0.367 4.717 4.350 0.001 0.000 0.296 143 T C 0.245 174.873 174.700 -0.120 0.000 0.949 143 T CA -0.550 61.486 62.100 -0.107 0.000 1.101 143 T CB 0.427 69.239 68.868 -0.094 0.000 0.905 143 T HN 0.391 nan 8.240 nan 0.000 0.516 144 M N 3.307 122.844 119.600 -0.105 0.000 2.314 144 M HA 0.365 4.845 4.480 0.001 0.000 0.342 144 M C 0.462 176.702 176.300 -0.100 0.000 1.171 144 M CA -0.906 54.327 55.300 -0.111 0.000 1.098 144 M CB 0.496 33.041 32.600 -0.093 0.000 1.559 144 M HN 0.473 nan 8.290 nan 0.000 0.459 145 N N 1.926 120.557 118.700 -0.114 0.000 2.752 145 N HA 0.368 5.108 4.740 0.001 0.000 0.260 145 N C -2.051 173.400 175.510 -0.099 0.000 1.562 145 N CA -0.143 52.848 53.050 -0.098 0.000 0.788 145 N CB 0.522 38.946 38.487 -0.105 0.000 1.192 145 N HN 0.361 nan 8.380 nan 0.000 0.503 146 V N 0.820 120.693 119.914 -0.069 0.000 2.481 146 V HA 0.262 4.383 4.120 0.001 0.000 0.286 146 V C 0.439 176.523 176.094 -0.016 0.000 1.042 146 V CA -1.001 61.273 62.300 -0.044 0.000 0.928 146 V CB 1.474 33.281 31.823 -0.026 0.000 0.986 146 V HN 0.420 nan 8.190 nan 0.000 0.462 147 D N 7.066 127.473 120.400 0.011 0.000 2.451 147 D HA 0.021 4.661 4.640 0.001 0.000 0.254 147 D C -1.242 175.072 176.300 0.024 0.000 1.204 147 D CA -1.268 52.749 54.000 0.028 0.000 0.896 147 D CB 1.636 42.475 40.800 0.066 0.000 1.136 147 D HN 0.307 nan 8.370 nan 0.000 0.499 148 P HA -0.122 nan 4.420 nan 0.000 0.231 148 P C 0.921 178.226 177.300 0.007 0.000 1.158 148 P CA 0.457 63.557 63.100 -0.001 0.000 0.763 148 P CB 0.267 31.961 31.700 -0.010 0.000 0.805 149 N N 0.448 119.164 118.700 0.027 0.000 2.364 149 N HA -0.090 4.650 4.740 0.001 0.000 0.183 149 N C 0.534 176.081 175.510 0.060 0.000 1.022 149 N CA 0.417 53.492 53.050 0.042 0.000 0.883 149 N CB -0.581 37.942 38.487 0.059 0.000 0.965 149 N HN 0.031 nan 8.380 nan 0.000 0.438 150 N N 1.708 120.445 118.700 0.062 0.000 2.416 150 N HA -0.001 4.739 4.740 0.001 0.000 0.265 150 N C -0.404 175.122 175.510 0.026 0.000 1.195 150 N CA 0.401 53.497 53.050 0.077 0.000 0.943 150 N CB 0.699 39.231 38.487 0.076 0.000 1.115 150 N HN 0.307 nan 8.380 nan 0.000 0.481 151 K N 0.769 121.184 120.400 0.025 0.000 2.117 151 K HA 0.292 4.612 4.320 0.001 0.000 0.240 151 K C 0.186 176.589 176.600 -0.329 0.000 1.031 151 K CA -0.377 55.800 56.287 -0.183 0.000 0.909 151 K CB 0.675 32.989 32.500 -0.310 0.000 1.097 151 K HN 0.319 nan 8.250 nan 0.000 0.492 152 S N 0.385 115.795 115.700 -0.482 0.000 2.525 152 S HA 0.446 4.916 4.470 0.001 0.000 0.290 152 S C -1.150 173.041 174.600 -0.682 0.000 1.152 152 S CA -0.656 57.303 58.200 -0.402 0.000 1.072 152 S CB 0.326 63.395 63.200 -0.219 0.000 1.027 152 S HN 0.334 nan 8.310 nan 0.000 0.500 153 Y N 0.776 121.000 120.300 -0.127 0.000 2.581 153 Y HA 0.434 4.984 4.550 0.001 0.000 0.345 153 Y C 0.482 176.362 175.900 -0.034 0.000 1.036 153 Y CA -1.047 57.000 58.100 -0.088 0.000 1.042 153 Y CB 1.355 39.719 38.460 -0.160 0.000 1.289 153 Y HN 0.535 nan 8.280 nan 0.000 0.471 154 N N 0.455 119.267 118.700 0.187 0.000 2.538 154 N HA 0.145 4.886 4.740 0.001 0.000 0.291 154 N C -1.095 174.503 175.510 0.147 0.000 1.323 154 N CA -0.078 53.047 53.050 0.125 0.000 0.934 154 N CB 0.195 38.730 38.487 0.081 0.000 1.255 154 N HN 0.565 nan 8.380 nan 0.000 0.509 155 T N 0.250 114.928 114.554 0.207 0.000 2.928 155 T HA -0.072 4.279 4.350 0.001 0.000 0.305 155 T C 0.039 174.817 174.700 0.130 0.000 1.035 155 T CA -0.009 62.206 62.100 0.192 0.000 1.145 155 T CB 0.431 69.486 68.868 0.312 0.000 0.963 155 T HN 0.184 nan 8.240 nan 0.000 0.545 156 D N 4.252 124.707 120.400 0.092 0.000 2.520 156 D HA -0.030 4.611 4.640 0.001 0.000 0.243 156 D C -0.930 175.416 176.300 0.077 0.000 1.160 156 D CA -1.694 52.350 54.000 0.072 0.000 0.877 156 D CB 1.027 41.860 40.800 0.056 0.000 1.150 156 D HN 0.228 nan 8.370 nan 0.000 0.494 157 P HA -0.132 nan 4.420 nan 0.000 0.225 157 P C 1.069 178.418 177.300 0.082 0.000 1.148 157 P CA 0.682 63.830 63.100 0.079 0.000 0.779 157 P CB 0.083 31.822 31.700 0.064 0.000 0.780 158 S N -0.994 114.752 115.700 0.077 0.000 2.522 158 S HA 0.014 4.485 4.470 0.001 0.000 0.227 158 S C 0.997 175.649 174.600 0.086 0.000 0.986 158 S CA -0.106 58.146 58.200 0.088 0.000 0.929 158 S CB -1.015 62.229 63.200 0.074 0.000 0.769 158 S HN 0.053 nan 8.310 nan 0.000 0.529 159 I N 2.844 123.452 120.570 0.063 0.000 2.416 159 I HA 0.190 4.361 4.170 0.001 0.000 0.288 159 I C -0.211 175.922 176.117 0.026 0.000 1.051 159 I CA -0.756 60.565 61.300 0.035 0.000 1.375 159 I CB 1.309 39.316 38.000 0.012 0.000 1.407 159 I HN -0.034 nan 8.210 nan 0.000 0.516 160 V N 8.116 128.016 119.914 -0.023 0.000 2.529 160 V HA 0.055 4.176 4.120 0.001 0.000 0.292 160 V C 0.487 176.581 176.094 0.000 0.000 1.028 160 V CA 0.311 62.576 62.300 -0.059 0.000 1.074 160 V CB 0.498 32.117 31.823 -0.341 0.000 0.958 160 V HN 0.572 nan 8.190 nan 0.000 0.481 161 M N 5.355 124.996 119.600 0.069 0.000 1.987 161 M HA 0.412 4.893 4.480 0.001 0.000 0.298 161 M C 0.196 176.579 176.300 0.139 0.000 0.892 161 M CA -0.083 55.243 55.300 0.043 0.000 0.885 161 M CB 1.195 33.767 32.600 -0.046 0.000 1.469 161 M HN 0.715 nan 8.290 nan 0.000 0.389 162 G N 0.855 109.763 108.800 0.179 0.000 2.441 162 G HA2 0.772 4.732 3.960 0.001 0.000 0.334 162 G HA3 0.772 4.732 3.960 0.001 0.000 0.334 162 G C -0.958 174.043 174.900 0.167 0.000 1.161 162 G CA -0.235 44.971 45.100 0.177 0.000 0.935 162 G HN 0.468 nan 8.290 nan 0.000 0.488 163 T N -1.112 113.485 114.554 0.072 0.000 2.821 163 T HA 0.514 4.864 4.350 0.001 0.000 0.306 163 T C -1.893 172.777 174.700 -0.051 0.000 1.313 163 T CA -0.473 61.685 62.100 0.097 0.000 1.012 163 T CB 1.100 70.013 68.868 0.074 0.000 1.298 163 T HN 0.302 nan 8.240 nan 0.000 0.502 164 Y N 1.818 122.096 120.300 -0.036 0.000 2.328 164 Y HA 0.618 5.168 4.550 0.001 0.000 0.337 164 Y C -0.346 175.350 175.900 -0.341 0.000 1.008 164 Y CA -0.745 57.249 58.100 -0.176 0.000 1.129 164 Y CB 1.046 39.369 38.460 -0.229 0.000 1.185 164 Y HN 0.544 nan 8.280 nan 0.000 0.476 165 F N 5.233 125.010 119.950 -0.287 0.000 2.415 165 F HA 0.602 5.130 4.527 0.001 0.000 0.348 165 F C -0.554 174.844 175.800 -0.671 0.000 1.119 165 F CA -1.161 56.607 58.000 -0.387 0.000 1.069 165 F CB 0.707 39.611 39.000 -0.159 0.000 1.124 165 F HN 0.232 nan 8.300 nan 0.000 0.472 166 V N 3.588 122.656 119.914 -1.410 0.000 2.472 166 V HA 0.409 4.530 4.120 0.001 0.000 0.290 166 V C 0.981 176.160 176.094 -1.524 0.000 1.037 166 V CA -0.524 60.784 62.300 -1.653 0.000 0.908 166 V CB 1.592 32.106 31.823 -2.183 0.000 0.985 166 V HN 0.997 nan 8.190 nan 0.000 0.454 167 E N 3.515 123.036 120.200 -1.132 0.000 2.097 167 E HA -0.217 4.134 4.350 0.001 0.000 0.196 167 E C 1.448 177.929 176.600 -0.199 0.000 1.000 167 E CA 2.602 58.771 56.400 -0.386 0.000 0.804 167 E CB -0.113 29.626 29.700 0.066 0.000 0.740 167 E HN 1.006 nan 8.360 nan 0.000 0.454 168 W N -0.697 120.551 121.300 -0.086 0.000 3.077 168 W HA 0.350 5.011 4.660 0.001 0.000 0.245 168 W C 1.526 178.002 176.519 -0.072 0.000 1.316 168 W CA 0.150 57.538 57.345 0.072 0.000 1.537 168 W CB -0.588 28.936 29.460 0.106 0.000 1.131 168 W HN -0.021 nan 8.180 nan 0.000 0.695 169 G N 2.448 110.874 108.800 -0.623 0.000 2.559 169 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 169 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 169 G C 1.346 176.080 174.900 -0.276 0.000 1.126 169 G CA 1.021 45.790 45.100 -0.552 0.000 0.778 169 G HN 0.632 nan 8.290 nan 0.000 0.543 170 I N -3.573 116.842 120.570 -0.259 0.000 3.291 170 I HA 0.212 4.383 4.170 0.001 0.000 0.279 170 I C 1.686 177.699 176.117 -0.174 0.000 1.294 170 I CA -0.038 61.160 61.300 -0.168 0.000 1.428 170 I CB -0.174 37.758 38.000 -0.114 0.000 1.070 170 I HN 0.005 nan 8.210 nan 0.000 0.478 171 Y N 1.964 122.325 120.300 0.101 0.000 3.173 171 Y HA 0.416 4.966 4.550 0.001 0.000 0.210 171 Y C 2.643 178.606 175.900 0.105 0.000 0.894 171 Y CA 0.983 59.159 58.100 0.126 0.000 0.986 171 Y CB -1.318 37.225 38.460 0.138 0.000 1.094 171 Y HN -0.098 nan 8.280 nan 0.000 0.463 172 G N 0.037 109.022 108.800 0.308 0.000 2.469 172 G HA2 -0.256 3.704 3.960 0.001 0.000 0.219 172 G HA3 -0.256 3.704 3.960 0.001 0.000 0.219 172 G C 1.562 176.606 174.900 0.239 0.000 1.150 172 G CA 1.121 46.408 45.100 0.311 0.000 0.763 172 G HN 0.325 nan 8.290 nan 0.000 0.561 173 R N -0.296 120.104 120.500 -0.167 0.000 2.189 173 R HA 0.019 4.360 4.340 0.001 0.000 0.223 173 R C 0.980 177.317 176.300 0.061 0.000 1.092 173 R CA 0.635 56.602 56.100 -0.222 0.000 0.989 173 R CB -0.154 29.811 30.300 -0.559 0.000 0.876 173 R HN 0.306 nan 8.270 nan 0.000 0.457 174 D N -0.904 119.544 120.400 0.080 0.000 2.686 174 D HA -0.270 4.371 4.640 0.001 0.000 0.235 174 D C -1.550 174.816 176.300 0.109 0.000 1.160 174 D CA 0.853 54.919 54.000 0.110 0.000 0.645 174 D CB -1.054 39.832 40.800 0.142 0.000 1.039 174 D HN 0.364 nan 8.370 nan 0.000 0.423 175 Y N 0.380 120.632 120.300 -0.080 0.000 2.326 175 Y HA 0.469 5.019 4.550 0.001 0.000 0.331 175 Y C 0.216 176.092 175.900 -0.040 0.000 0.962 175 Y CA -0.068 57.981 58.100 -0.084 0.000 1.167 175 Y CB 1.091 39.446 38.460 -0.175 0.000 1.148 175 Y HN 0.094 nan 8.280 nan 0.000 0.463 176 T N 0.589 115.006 114.554 -0.227 0.000 2.949 176 T HA 0.318 4.668 4.350 0.001 0.000 0.287 176 T C 0.907 175.498 174.700 -0.181 0.000 1.034 176 T CA -0.704 61.307 62.100 -0.149 0.000 1.018 176 T CB 1.357 70.022 68.868 -0.338 0.000 1.135 176 T HN 0.363 nan 8.240 nan 0.000 0.532 177 V N 1.801 121.514 119.914 -0.335 0.000 2.392 177 V HA -0.181 3.939 4.120 0.001 0.000 0.249 177 V C 2.572 178.440 176.094 -0.376 0.000 1.059 177 V CA 2.402 64.387 62.300 -0.524 0.000 1.051 177 V CB -0.893 30.559 31.823 -0.619 0.000 0.658 177 V HN 1.059 nan 8.190 nan 0.000 0.455 178 D N -0.477 119.706 120.400 -0.362 0.000 2.378 178 D HA -0.159 4.482 4.640 0.001 0.000 0.222 178 D C 1.444 177.589 176.300 -0.259 0.000 0.980 178 D CA 0.688 54.520 54.000 -0.280 0.000 0.907 178 D CB -0.504 40.142 40.800 -0.257 0.000 0.899 178 D HN 0.397 nan 8.370 nan 0.000 0.527 179 N N 0.069 118.550 118.700 -0.365 0.000 2.416 179 N HA 0.032 4.772 4.740 0.001 0.000 0.177 179 N C 0.764 176.138 175.510 -0.228 0.000 1.036 179 N CA 0.149 52.941 53.050 -0.431 0.000 0.901 179 N CB -0.002 37.906 38.487 -0.965 0.000 0.976 179 N HN 0.329 nan 8.380 nan 0.000 0.444 180 M N 2.350 121.882 119.600 -0.114 0.000 2.238 180 M HA 0.064 4.544 4.480 0.001 0.000 0.350 180 M C -1.898 174.425 176.300 0.038 0.000 1.321 180 M CA -1.041 54.313 55.300 0.090 0.000 1.097 180 M CB 0.558 33.203 32.600 0.076 0.000 1.713 180 M HN -0.193 nan 8.290 nan 0.000 0.455 181 P HA 0.010 nan 4.420 nan 0.000 0.235 181 P C 0.785 178.115 177.300 0.050 0.000 1.765 181 P CA 0.148 63.283 63.100 0.059 0.000 1.034 181 P CB -0.142 31.614 31.700 0.092 0.000 1.984 182 V N 1.732 121.655 119.914 0.014 0.000 2.469 182 V HA -0.217 3.903 4.120 0.001 0.000 0.251 182 V C 1.482 177.589 176.094 0.021 0.000 1.064 182 V CA 2.107 64.410 62.300 0.006 0.000 1.066 182 V CB -0.599 31.201 31.823 -0.038 0.000 0.667 182 V HN 0.213 nan 8.190 nan 0.000 0.461 183 D N 0.231 120.639 120.400 0.014 0.000 2.348 183 D HA -0.051 4.589 4.640 0.001 0.000 0.216 183 D C 1.160 177.486 176.300 0.043 0.000 0.970 183 D CA 0.672 54.682 54.000 0.018 0.000 0.889 183 D CB -0.230 40.567 40.800 -0.005 0.000 0.912 183 D HN 0.492 nan 8.370 nan 0.000 0.524 184 N N -0.064 118.676 118.700 0.066 0.000 2.235 184 N HA 0.171 4.911 4.740 0.001 0.000 0.209 184 N C -0.247 175.453 175.510 0.316 0.000 1.122 184 N CA 0.072 53.198 53.050 0.125 0.000 0.845 184 N CB 0.972 39.494 38.487 0.059 0.000 1.004 184 N HN 0.168 nan 8.380 nan 0.000 0.499 185 L N -0.662 120.670 121.223 0.182 0.000 2.401 185 L HA 0.403 4.743 4.340 0.001 0.000 0.266 185 L C 1.232 178.170 176.870 0.113 0.000 0.991 185 L CA -0.449 54.483 54.840 0.153 0.000 0.818 185 L CB 2.282 44.407 42.059 0.110 0.000 1.321 185 L HN -0.051 nan 8.230 nan 0.000 0.413 186 T N -3.599 111.034 114.554 0.131 0.000 3.000 186 T HA 0.192 4.543 4.350 0.001 0.000 0.248 186 T C 0.311 174.966 174.700 -0.074 0.000 1.034 186 T CA 0.328 62.476 62.100 0.079 0.000 1.060 186 T CB 0.026 69.011 68.868 0.194 0.000 0.983 186 T HN 0.511 nan 8.240 nan 0.000 0.482 187 H N -0.140 118.956 119.070 0.044 0.000 2.689 187 H HA 0.644 5.201 4.556 0.001 0.000 0.346 187 H C -1.201 174.121 175.328 -0.011 0.000 1.037 187 H CA -0.786 55.282 56.048 0.034 0.000 1.234 187 H CB 1.552 31.350 29.762 0.061 0.000 1.572 187 H HN 0.197 nan 8.280 nan 0.000 0.524 188 I N 4.466 125.078 120.570 0.070 0.000 2.355 188 I HA 0.232 4.403 4.170 0.001 0.000 0.288 188 I C -0.674 175.445 176.117 0.004 0.000 0.999 188 I CA -0.503 60.812 61.300 0.025 0.000 1.163 188 I CB 1.193 39.212 38.000 0.032 0.000 1.316 188 I HN 0.291 nan 8.210 nan 0.000 0.454 189 L N 6.802 127.909 121.223 -0.193 0.000 2.272 189 L HA 0.349 4.689 4.340 0.001 0.000 0.289 189 L C -0.776 176.056 176.870 -0.064 0.000 1.032 189 L CA -0.656 54.005 54.840 -0.298 0.000 0.810 189 L CB 0.786 42.208 42.059 -1.061 0.000 1.205 189 L HN 0.483 nan 8.230 nan 0.000 0.422 190 Y N 2.702 123.033 120.300 0.053 0.000 2.454 190 Y HA 0.540 5.091 4.550 0.001 0.000 0.345 190 Y C 0.630 176.598 175.900 0.114 0.000 0.970 190 Y CA -0.524 57.676 58.100 0.166 0.000 1.204 190 Y CB 1.215 39.885 38.460 0.350 0.000 1.122 190 Y HN 0.563 nan 8.280 nan 0.000 0.514 191 G N 5.496 114.078 108.800 -0.363 0.000 2.348 191 G HA2 0.522 4.482 3.960 0.001 0.000 0.312 191 G HA3 0.522 4.482 3.960 0.001 0.000 0.312 191 G C -1.745 172.952 174.900 -0.338 0.000 1.126 191 G CA -0.296 44.386 45.100 -0.697 0.000 0.865 191 G HN 0.479 nan 8.290 nan 0.000 0.474 192 F N 0.833 121.046 119.950 0.440 0.000 2.588 192 F HA 0.464 4.991 4.527 0.000 0.000 0.310 192 F C -0.232 175.817 175.800 0.416 0.000 1.082 192 F CA -1.188 57.082 58.000 0.450 0.000 0.929 192 F CB 2.228 41.504 39.000 0.460 0.000 1.254 192 F HN 0.151 nan 8.300 nan 0.000 0.455 193 I N 4.916 125.810 120.570 0.540 0.000 2.304 193 I HA 0.283 4.453 4.170 0.001 0.000 0.291 193 I C -2.280 173.939 176.117 0.170 0.000 1.018 193 I CA -2.767 58.709 61.300 0.294 0.000 1.260 193 I CB 0.596 38.639 38.000 0.071 0.000 1.390 193 I HN 0.210 nan 8.210 nan 0.000 0.475 194 P HA 0.415 nan 4.420 nan 0.000 0.276 194 P C -0.562 176.662 177.300 -0.127 0.000 1.252 194 P CA -0.423 62.637 63.100 -0.066 0.000 0.802 194 P CB 1.495 33.083 31.700 -0.187 0.000 1.035 195 I N 0.611 121.061 120.570 -0.201 0.000 2.378 195 I HA 0.235 4.405 4.170 0.001 0.000 0.291 195 I C 0.319 176.308 176.117 -0.213 0.000 0.992 195 I CA -0.852 60.339 61.300 -0.182 0.000 1.154 195 I CB 1.221 39.046 38.000 -0.291 0.000 1.315 195 I HN 0.230 nan 8.210 nan 0.000 0.448 196 c N 5.199 123.688 118.600 -0.184 0.000 2.662 196 c HA 0.645 5.216 4.570 0.001 0.000 0.420 196 c C 1.142 175.033 174.090 -0.331 0.000 1.314 196 c CA 0.613 56.807 56.329 -0.225 0.000 1.963 196 c CB -0.792 41.612 42.510 -0.176 0.000 2.686 196 c HN 1.107 nan 8.230 nan 0.000 0.609 197 G N 3.873 112.485 108.800 -0.313 0.000 2.247 197 G HA2 0.111 4.072 3.960 0.001 0.000 0.229 197 G HA3 0.111 4.072 3.960 0.001 0.000 0.229 197 G C -3.192 171.589 174.900 -0.199 0.000 1.345 197 G CA -0.797 44.082 45.100 -0.368 0.000 1.100 197 G HN 0.475 nan 8.290 nan 0.000 0.473 198 P HA 0.302 nan 4.420 nan 0.000 0.271 198 P C -0.768 176.508 177.300 -0.041 0.000 1.226 198 P CA 0.175 63.249 63.100 -0.044 0.000 0.765 198 P CB 0.498 32.193 31.700 -0.008 0.000 0.835 199 N N 2.449 121.173 118.700 0.041 0.000 2.577 199 N HA -0.001 4.739 4.740 0.001 0.000 0.285 199 N C 0.648 176.254 175.510 0.159 0.000 1.658 199 N CA -0.204 52.884 53.050 0.063 0.000 0.865 199 N CB 0.582 39.083 38.487 0.024 0.000 1.419 199 N HN 0.311 nan 8.380 nan 0.000 0.495 200 E N 0.381 120.607 120.200 0.043 0.000 2.209 200 E HA -0.037 4.314 4.350 0.001 0.000 0.196 200 E C 1.249 177.795 176.600 -0.090 0.000 0.993 200 E CA 0.866 57.221 56.400 -0.075 0.000 0.819 200 E CB 0.135 29.775 29.700 -0.100 0.000 0.745 200 E HN 0.178 nan 8.360 nan 0.000 0.477 201 S N 0.459 116.117 115.700 -0.069 0.000 2.442 201 S HA -0.082 4.388 4.470 0.001 0.000 0.236 201 S C 2.116 176.694 174.600 -0.037 0.000 1.007 201 S CA 0.582 58.726 58.200 -0.093 0.000 0.965 201 S CB -0.046 63.047 63.200 -0.179 0.000 0.773 201 S HN 0.081 nan 8.310 nan 0.000 0.504 202 V N 1.866 121.802 119.914 0.036 0.000 2.626 202 V HA -0.157 3.964 4.120 0.001 0.000 0.252 202 V C 2.089 178.245 176.094 0.103 0.000 1.067 202 V CA 1.417 63.787 62.300 0.117 0.000 1.081 202 V CB -0.547 31.427 31.823 0.251 0.000 0.686 202 V HN 0.463 nan 8.190 nan 0.000 0.468 203 K N 1.051 121.456 120.400 0.008 0.000 2.209 203 K HA -0.142 4.178 4.320 0.001 0.000 0.204 203 K C 2.312 178.894 176.600 -0.029 0.000 1.048 203 K CA 1.554 57.799 56.287 -0.070 0.000 0.940 203 K CB -0.302 32.047 32.500 -0.252 0.000 0.729 203 K HN 0.662 nan 8.250 nan 0.000 0.451 204 S N 0.341 116.035 115.700 -0.011 0.000 2.447 204 S HA -0.075 4.396 4.470 0.001 0.000 0.233 204 S C 1.993 176.606 174.600 0.022 0.000 1.006 204 S CA 0.800 59.008 58.200 0.014 0.000 0.957 204 S CB -0.351 62.876 63.200 0.045 0.000 0.773 204 S HN 0.012 nan 8.310 nan 0.000 0.507 205 V N 1.737 121.661 119.914 0.017 0.000 2.548 205 V HA 0.175 4.296 4.120 0.001 0.000 0.249 205 V C 2.027 178.112 176.094 -0.015 0.000 1.055 205 V CA 0.860 63.153 62.300 -0.011 0.000 1.065 205 V CB -2.085 29.718 31.823 -0.034 0.000 0.681 205 V HN 0.896 nan 8.190 nan 0.000 0.462 206 G N -0.102 108.701 108.800 0.004 0.000 2.575 206 G HA2 0.078 4.039 3.960 0.001 0.000 0.267 206 G HA3 0.078 4.039 3.960 0.001 0.000 0.267 206 G C 0.855 175.751 174.900 -0.006 0.000 1.264 206 G CA -0.161 44.941 45.100 0.003 0.000 0.935 206 G HN 1.788 nan 8.290 nan 0.000 0.568 207 G N -0.901 107.890 108.800 -0.014 0.000 2.258 207 G HA2 -0.039 3.921 3.960 0.001 0.000 0.274 207 G HA3 -0.039 3.921 3.960 0.001 0.000 0.274 207 G C 0.848 175.732 174.900 -0.027 0.000 1.021 207 G CA 1.721 46.800 45.100 -0.035 0.000 0.798 207 G HN 2.644 nan 8.290 nan 0.000 0.507 208 N N -1.617 117.089 118.700 0.011 0.000 2.782 208 N HA -0.198 4.543 4.740 0.001 0.000 0.251 208 N C 1.443 176.997 175.510 0.073 0.000 1.101 208 N CA 2.051 55.126 53.050 0.041 0.000 0.764 208 N CB -1.366 37.129 38.487 0.015 0.000 1.122 208 N HN 0.778 nan 8.380 nan 0.000 0.561 209 S N -1.482 114.265 115.700 0.079 0.000 2.382 209 S HA -0.060 4.410 4.470 0.001 0.000 0.228 209 S C 1.582 176.342 174.600 0.267 0.000 1.027 209 S CA 1.389 59.665 58.200 0.125 0.000 0.991 209 S CB -0.265 62.975 63.200 0.067 0.000 0.823 209 S HN 0.467 nan 8.310 nan 0.000 0.469 210 F N 2.586 122.584 119.950 0.080 0.000 2.102 210 F HA -0.084 4.444 4.527 0.001 0.000 0.298 210 F C 2.121 177.950 175.800 0.048 0.000 1.105 210 F CA 1.928 59.958 58.000 0.050 0.000 1.239 210 F CB -0.642 38.365 39.000 0.012 0.000 0.991 210 F HN 0.328 nan 8.300 nan 0.000 0.474 211 N N 0.540 119.319 118.700 0.132 0.000 2.069 211 N HA -0.227 4.513 4.740 0.001 0.000 0.191 211 N C 1.860 177.361 175.510 -0.014 0.000 1.031 211 N CA 1.801 54.871 53.050 0.032 0.000 0.852 211 N CB -0.485 38.051 38.487 0.082 0.000 1.018 211 N HN 0.335 nan 8.380 nan 0.000 0.423 212 A N 0.123 122.978 122.820 0.058 0.000 1.940 212 A HA -0.118 4.203 4.320 0.001 0.000 0.219 212 A C 2.139 179.774 177.584 0.086 0.000 1.176 212 A CA 1.396 53.497 52.037 0.107 0.000 0.631 212 A CB -0.903 18.199 19.000 0.171 0.000 0.814 212 A HN 0.428 nan 8.150 nan 0.000 0.446 213 L N -0.656 120.564 121.223 -0.005 0.000 2.056 213 L HA -0.138 4.202 4.340 0.001 0.000 0.207 213 L C 2.362 179.081 176.870 -0.251 0.000 1.078 213 L CA 2.032 56.734 54.840 -0.230 0.000 0.749 213 L CB -0.703 41.097 42.059 -0.432 0.000 0.901 213 L HN 0.336 nan 8.230 nan 0.000 0.433 214 Q N -0.691 118.908 119.800 -0.336 0.000 2.096 214 Q HA -0.167 4.173 4.340 0.001 0.000 0.204 214 Q C 2.179 178.108 176.000 -0.118 0.000 0.982 214 Q CA 2.221 57.857 55.803 -0.277 0.000 0.850 214 Q CB -1.136 27.425 28.738 -0.294 0.000 0.901 214 Q HN 0.511 nan 8.270 nan 0.000 0.422 215 T N 1.425 115.943 114.554 -0.060 0.000 2.708 215 T HA -0.099 4.251 4.350 0.001 0.000 0.266 215 T C 1.854 176.577 174.700 0.039 0.000 1.037 215 T CA 1.569 63.671 62.100 0.004 0.000 1.146 215 T CB -0.326 68.561 68.868 0.032 0.000 0.865 215 T HN 0.443 nan 8.240 nan 0.000 0.435 216 A N 0.298 123.150 122.820 0.053 0.000 1.978 216 A HA -0.118 4.203 4.320 0.001 0.000 0.220 216 A C 2.473 180.111 177.584 0.091 0.000 1.170 216 A CA 1.385 53.492 52.037 0.117 0.000 0.636 216 A CB -1.069 18.007 19.000 0.127 0.000 0.810 216 A HN 0.639 nan 8.150 nan 0.000 0.448 217 c N -0.299 118.301 118.600 -0.000 0.000 2.618 217 c HA 0.181 4.752 4.570 0.001 0.000 0.264 217 c C 1.114 175.200 174.090 -0.006 0.000 1.334 217 c CA -0.764 55.550 56.329 -0.025 0.000 1.731 217 c CB -1.275 41.170 42.510 -0.107 0.000 1.852 217 c HN 0.384 nan 8.230 nan 0.000 0.566 218 R N 1.032 121.539 120.500 0.010 0.000 2.458 218 R HA 0.333 4.673 4.340 0.001 0.000 0.303 218 R C 1.283 177.609 176.300 0.043 0.000 1.013 218 R CA 1.076 57.186 56.100 0.017 0.000 1.026 218 R CB -0.125 30.186 30.300 0.020 0.000 0.948 218 R HN 0.545 nan 8.270 nan 0.000 0.417 219 G N 1.501 110.320 108.800 0.032 0.000 2.143 219 G HA2 -0.255 3.705 3.960 0.001 0.000 0.249 219 G HA3 -0.255 3.705 3.960 0.001 0.000 0.249 219 G C -0.059 174.875 174.900 0.057 0.000 0.981 219 G CA -0.002 45.124 45.100 0.044 0.000 0.665 219 G HN 0.444 nan 8.290 nan 0.000 0.528 220 V N 1.152 121.092 119.914 0.043 0.000 2.540 220 V HA 0.473 4.593 4.120 0.001 0.000 0.302 220 V C 0.100 176.192 176.094 -0.004 0.000 1.035 220 V CA -1.553 60.771 62.300 0.040 0.000 0.873 220 V CB 1.740 33.592 31.823 0.048 0.000 0.992 220 V HN 0.281 nan 8.190 nan 0.000 0.428 221 N N 2.344 121.045 118.700 0.001 0.000 2.479 221 N HA 0.122 4.862 4.740 0.001 0.000 0.257 221 N C -0.285 175.183 175.510 -0.069 0.000 1.232 221 N CA -0.289 52.750 53.050 -0.018 0.000 0.920 221 N CB 0.494 38.989 38.487 0.015 0.000 1.105 221 N HN 0.618 nan 8.380 nan 0.000 0.444 222 D N 0.536 120.850 120.400 -0.143 0.000 2.506 222 D HA -0.076 4.564 4.640 0.001 0.000 0.234 222 D C 0.392 176.519 176.300 -0.288 0.000 1.143 222 D CA 0.845 54.610 54.000 -0.391 0.000 0.871 222 D CB 0.052 40.489 40.800 -0.606 0.000 1.190 222 D HN 0.521 nan 8.370 nan 0.000 0.459 223 Y N -1.844 118.458 120.300 0.004 0.000 4.929 223 Y HA -0.272 4.278 4.550 0.001 0.000 0.252 223 Y C 0.492 176.465 175.900 0.122 0.000 0.950 223 Y CA 0.462 58.602 58.100 0.065 0.000 1.935 223 Y CB -1.766 36.733 38.460 0.066 0.000 1.440 223 Y HN 0.400 nan 8.280 nan 0.000 0.567 224 E N 0.899 121.163 120.200 0.107 0.000 2.242 224 E HA 0.538 4.888 4.350 0.001 0.000 0.275 224 E C 0.123 176.718 176.600 -0.009 0.000 1.002 224 E CA -0.619 55.816 56.400 0.059 0.000 0.841 224 E CB 2.097 31.806 29.700 0.016 0.000 1.109 224 E HN 0.157 nan 8.360 nan 0.000 0.394 225 V N 0.169 120.039 119.914 -0.074 0.000 2.834 225 V HA 0.535 4.655 4.120 0.001 0.000 0.301 225 V C 0.230 176.132 176.094 -0.320 0.000 1.066 225 V CA -0.524 61.662 62.300 -0.190 0.000 1.052 225 V CB 0.843 32.455 31.823 -0.352 0.000 1.021 225 V HN 0.489 nan 8.190 nan 0.000 0.480 226 V N 1.216 120.944 119.914 -0.310 0.000 3.182 226 V HA 0.647 4.767 4.120 0.001 0.000 0.308 226 V C -0.349 175.712 176.094 -0.054 0.000 1.240 226 V CA -1.124 60.934 62.300 -0.404 0.000 1.063 226 V CB 1.920 33.641 31.823 -0.171 0.000 1.076 226 V HN 0.877 nan 8.190 nan 0.000 0.446 227 I N 1.808 122.513 120.570 0.225 0.000 2.371 227 I HA 0.339 4.509 4.170 0.001 0.000 0.290 227 I C 1.350 177.677 176.117 0.351 0.000 1.028 227 I CA -0.443 61.100 61.300 0.405 0.000 1.345 227 I CB 0.987 39.307 38.000 0.534 0.000 1.407 227 I HN 0.826 nan 8.210 nan 0.000 0.501 228 H N 4.345 123.559 119.070 0.240 0.000 2.357 228 H HA -0.027 4.529 4.556 0.001 0.000 0.301 228 H C 0.226 175.670 175.328 0.193 0.000 1.082 228 H CA 1.378 57.545 56.048 0.198 0.000 1.342 228 H CB 0.324 30.224 29.762 0.231 0.000 1.389 228 H HN 0.488 nan 8.280 nan 0.000 0.511 229 D N 0.064 120.670 120.400 0.344 0.000 2.404 229 D HA 0.135 4.775 4.640 0.001 0.000 0.267 229 D C -1.932 174.440 176.300 0.120 0.000 1.194 229 D CA -2.054 52.090 54.000 0.240 0.000 0.910 229 D CB 1.278 42.243 40.800 0.275 0.000 1.090 229 D HN 0.118 nan 8.370 nan 0.000 0.511 230 P HA -0.104 nan 4.420 nan 0.000 0.220 230 P C 1.749 178.789 177.300 -0.433 0.000 1.148 230 P CA 0.445 63.314 63.100 -0.385 0.000 0.803 230 P CB 0.097 31.639 31.700 -0.265 0.000 0.782 231 W N 1.663 122.836 121.300 -0.211 0.000 2.333 231 W HA -0.182 4.478 4.660 0.001 0.000 0.316 231 W C 2.020 178.487 176.519 -0.086 0.000 1.215 231 W CA 1.946 59.218 57.345 -0.121 0.000 1.278 231 W CB -0.795 28.675 29.460 0.016 0.000 1.154 231 W HN -0.051 nan 8.180 nan 0.000 0.486 232 A N 0.919 123.729 122.820 -0.018 0.000 1.930 232 A HA -0.049 4.271 4.320 0.001 0.000 0.217 232 A C 2.151 179.686 177.584 -0.083 0.000 1.175 232 A CA 2.577 54.565 52.037 -0.082 0.000 0.627 232 A CB -1.276 17.802 19.000 0.130 0.000 0.815 232 A HN 0.369 nan 8.150 nan 0.000 0.443 233 A N -0.988 121.731 122.820 -0.169 0.000 1.855 233 A HA 0.107 4.427 4.320 0.001 0.000 0.215 233 A C 1.762 179.142 177.584 -0.340 0.000 1.191 233 A CA 1.751 53.569 52.037 -0.367 0.000 0.613 233 A CB -0.482 18.154 19.000 -0.607 0.000 0.829 233 A HN 1.272 nan 8.150 nan 0.000 0.442 234 Y N -3.634 116.514 120.300 -0.253 0.000 2.729 234 Y HA 0.457 5.007 4.550 0.001 0.000 0.266 234 Y C 1.413 177.215 175.900 -0.163 0.000 1.064 234 Y CA -0.036 57.963 58.100 -0.168 0.000 1.251 234 Y CB -0.130 38.286 38.460 -0.074 0.000 1.379 234 Y HN 0.212 nan 8.280 nan 0.000 0.569 235 Q N 1.178 120.785 119.800 -0.322 0.000 2.390 235 Q HA 0.124 4.464 4.340 0.001 0.000 0.216 235 Q C 0.372 175.990 176.000 -0.637 0.000 0.916 235 Q CA -0.018 55.622 55.803 -0.273 0.000 0.911 235 Q CB 0.605 29.312 28.738 -0.051 0.000 1.035 235 Q HN 0.281 nan 8.270 nan 0.000 0.541 236 K N 1.867 121.542 120.400 -1.208 0.000 2.451 236 K HA 0.049 4.370 4.320 0.001 0.000 0.280 236 K C -0.565 175.551 176.600 -0.807 0.000 1.020 236 K CA 0.074 55.403 56.287 -1.597 0.000 1.008 236 K CB 0.690 32.145 32.500 -1.742 0.000 0.917 236 K HN -0.130 nan 8.250 nan 0.000 0.478 237 S N 4.724 120.099 115.700 -0.542 0.000 2.439 237 S HA 0.276 4.746 4.470 0.001 0.000 0.282 237 S C -0.966 173.493 174.600 -0.235 0.000 1.170 237 S CA -0.658 57.444 58.200 -0.164 0.000 1.054 237 S CB -0.103 63.085 63.200 -0.019 0.000 0.956 237 S HN 0.438 nan 8.310 nan 0.000 0.490 238 F N 7.316 127.361 119.950 0.159 0.000 2.361 238 F HA 0.367 4.894 4.527 0.001 0.000 0.364 238 F C -1.124 174.554 175.800 -0.202 0.000 1.120 238 F CA -1.992 55.961 58.000 -0.079 0.000 1.102 238 F CB 1.718 40.626 39.000 -0.154 0.000 1.183 238 F HN 0.470 nan 8.300 nan 0.000 0.476 239 P HA -0.224 nan 4.420 nan 0.000 0.220 239 P C 1.182 178.452 177.300 -0.050 0.000 1.148 239 P CA 1.258 64.356 63.100 -0.003 0.000 0.803 239 P CB 0.116 31.829 31.700 0.021 0.000 0.782 240 Q N -0.007 119.766 119.800 -0.046 0.000 2.437 240 Q HA -0.015 4.325 4.340 0.001 0.000 0.210 240 Q C 1.424 177.323 176.000 -0.168 0.000 0.972 240 Q CA 1.636 57.383 55.803 -0.094 0.000 0.903 240 Q CB -0.783 27.899 28.738 -0.094 0.000 0.967 240 Q HN 0.193 nan 8.270 nan 0.000 0.486 241 A N 0.327 122.984 122.820 -0.273 0.000 2.470 241 A HA 0.525 4.845 4.320 0.001 0.000 0.251 241 A C 1.295 178.672 177.584 -0.345 0.000 1.245 241 A CA 0.316 52.117 52.037 -0.394 0.000 0.932 241 A CB 0.048 18.659 19.000 -0.647 0.000 1.037 241 A HN 0.516 nan 8.150 nan 0.000 0.522 242 G N 0.349 109.023 108.800 -0.209 0.000 2.198 242 G HA2 -0.248 3.712 3.960 0.001 0.000 0.260 242 G HA3 -0.248 3.712 3.960 0.001 0.000 0.260 242 G C -0.083 174.846 174.900 0.048 0.000 1.025 242 G CA 0.319 45.381 45.100 -0.064 0.000 0.769 242 G HN 0.654 nan 8.290 nan 0.000 0.507 243 H N 1.009 120.098 119.070 0.031 0.000 2.732 243 H HA 0.498 5.055 4.556 0.001 0.000 0.351 243 H C 0.953 176.300 175.328 0.032 0.000 1.090 243 H CA 0.605 56.670 56.048 0.029 0.000 1.431 243 H CB 0.803 30.578 29.762 0.021 0.000 1.447 243 H HN 0.827 nan 8.280 nan 0.000 0.582 244 E N 1.117 121.418 120.200 0.168 0.000 2.459 244 E HA 0.119 4.469 4.350 0.001 0.000 0.275 244 E C 0.110 176.788 176.600 0.130 0.000 0.987 244 E CA -0.972 55.510 56.400 0.137 0.000 0.828 244 E CB 0.884 30.656 29.700 0.120 0.000 1.428 244 E HN 0.388 nan 8.360 nan 0.000 0.457 245 Y N 1.496 121.822 120.300 0.043 0.000 2.151 245 Y HA -0.240 4.311 4.550 0.001 0.000 0.284 245 Y C 2.349 178.264 175.900 0.026 0.000 1.166 245 Y CA 2.741 60.864 58.100 0.037 0.000 1.163 245 Y CB 0.079 38.561 38.460 0.036 0.000 0.974 245 Y HN 0.578 nan 8.280 nan 0.000 0.511 246 S N -1.653 114.106 115.700 0.099 0.000 2.558 246 S HA 0.047 4.517 4.470 0.001 0.000 0.217 246 S C 0.684 175.263 174.600 -0.035 0.000 0.975 246 S CA 0.163 58.372 58.200 0.014 0.000 0.912 246 S CB -0.917 62.325 63.200 0.069 0.000 0.776 246 S HN 0.254 nan 8.310 nan 0.000 0.526 247 T N 5.518 120.060 114.554 -0.021 0.000 2.831 247 T HA 0.155 4.505 4.350 0.001 0.000 0.291 247 T C -1.334 173.333 174.700 -0.054 0.000 0.981 247 T CA -0.745 61.347 62.100 -0.015 0.000 1.174 247 T CB 1.035 69.901 68.868 -0.004 0.000 0.929 247 T HN 0.307 nan 8.240 nan 0.000 0.532 248 P HA 0.067 nan 4.420 nan 0.000 0.221 248 P C 0.090 177.381 177.300 -0.014 0.000 1.150 248 P CA 0.852 63.926 63.100 -0.043 0.000 0.800 248 P CB 0.239 31.901 31.700 -0.062 0.000 0.787 249 I N -1.197 119.381 120.570 0.013 0.000 2.499 249 I HA 0.334 4.504 4.170 0.001 0.000 0.288 249 I C 0.450 176.493 176.117 -0.123 0.000 1.048 249 I CA -0.773 60.554 61.300 0.045 0.000 1.062 249 I CB 2.675 40.773 38.000 0.165 0.000 1.238 249 I HN -0.284 nan 8.210 nan 0.000 0.426 250 K N 2.755 123.056 120.400 -0.165 0.000 1.884 250 K HA 0.838 5.158 4.320 0.001 0.000 0.250 250 K C 0.245 176.762 176.600 -0.140 0.000 1.009 250 K CA -0.557 55.430 56.287 -0.501 0.000 0.925 250 K CB 1.100 33.304 32.500 -0.492 0.000 1.839 250 K HN 0.784 nan 8.250 nan 0.000 0.735 251 G N 1.054 109.836 108.800 -0.031 0.000 2.692 251 G HA2 -0.290 3.671 3.960 0.001 0.000 0.248 251 G HA3 -0.290 3.671 3.960 0.001 0.000 0.248 251 G C 0.264 175.327 174.900 0.271 0.000 1.340 251 G CA 0.324 45.511 45.100 0.145 0.000 0.896 251 G HN 0.605 nan 8.290 nan 0.000 0.570 252 N N -1.176 117.647 118.700 0.204 0.000 2.104 252 N HA -0.121 4.619 4.740 0.001 0.000 0.190 252 N C 1.950 177.432 175.510 -0.048 0.000 1.024 252 N CA 2.181 55.275 53.050 0.073 0.000 0.853 252 N CB -0.459 38.211 38.487 0.304 0.000 1.008 252 N HN 0.550 nan 8.380 nan 0.000 0.424 253 Y N 1.233 121.351 120.300 -0.305 0.000 2.165 253 Y HA -0.067 4.484 4.550 0.001 0.000 0.286 253 Y C 2.457 178.008 175.900 -0.581 0.000 1.155 253 Y CA 0.603 58.348 58.100 -0.592 0.000 1.164 253 Y CB -1.015 37.178 38.460 -0.444 0.000 0.978 253 Y HN 0.051 nan 8.280 nan 0.000 0.513 254 A N -0.448 122.321 122.820 -0.085 0.000 1.933 254 A HA -0.199 4.122 4.320 0.001 0.000 0.218 254 A C 2.330 179.835 177.584 -0.131 0.000 1.175 254 A CA 1.784 53.783 52.037 -0.062 0.000 0.628 254 A CB -0.738 18.281 19.000 0.032 0.000 0.814 254 A HN 0.438 nan 8.150 nan 0.000 0.444 255 M N -0.769 118.745 119.600 -0.143 0.000 2.175 255 M HA -0.045 4.435 4.480 0.001 0.000 0.264 255 M C 2.031 178.111 176.300 -0.366 0.000 1.063 255 M CA 1.161 56.312 55.300 -0.248 0.000 1.119 255 M CB -0.460 31.943 32.600 -0.330 0.000 1.377 255 M HN 0.356 nan 8.290 nan 0.000 0.415 256 L N -0.356 120.556 121.223 -0.519 0.000 2.093 256 L HA -0.187 4.153 4.340 0.001 0.000 0.208 256 L C 2.538 179.050 176.870 -0.596 0.000 1.085 256 L CA 1.096 55.559 54.840 -0.629 0.000 0.755 256 L CB -0.453 41.055 42.059 -0.918 0.000 0.904 256 L HN 0.353 nan 8.230 nan 0.000 0.435 257 M N -0.633 118.565 119.600 -0.670 0.000 2.086 257 M HA -0.201 4.280 4.480 0.001 0.000 0.261 257 M C 2.506 178.667 176.300 -0.231 0.000 1.067 257 M CA 2.010 57.083 55.300 -0.378 0.000 1.116 257 M CB -0.505 31.938 32.600 -0.262 0.000 1.348 257 M HN 0.307 nan 8.290 nan 0.000 0.407 258 A N -0.030 122.649 122.820 -0.234 0.000 1.969 258 A HA -0.127 4.193 4.320 0.001 0.000 0.218 258 A C 2.072 179.551 177.584 -0.175 0.000 1.169 258 A CA 1.173 53.097 52.037 -0.190 0.000 0.635 258 A CB -0.695 18.199 19.000 -0.177 0.000 0.810 258 A HN 0.423 nan 8.150 nan 0.000 0.445 259 L N -0.438 120.662 121.223 -0.206 0.000 2.056 259 L HA -0.096 4.244 4.340 0.001 0.000 0.207 259 L C 2.074 178.865 176.870 -0.132 0.000 1.078 259 L CA 1.862 56.596 54.840 -0.178 0.000 0.749 259 L CB -0.374 41.555 42.059 -0.216 0.000 0.901 259 L HN 0.127 nan 8.230 nan 0.000 0.433 260 K N -0.492 119.832 120.400 -0.127 0.000 2.209 260 K HA -0.124 4.197 4.320 0.001 0.000 0.204 260 K C 2.025 178.585 176.600 -0.067 0.000 1.048 260 K CA 0.890 57.132 56.287 -0.076 0.000 0.940 260 K CB -0.234 32.243 32.500 -0.038 0.000 0.729 260 K HN 0.466 nan 8.250 nan 0.000 0.451 261 Q N 0.052 119.802 119.800 -0.084 0.000 2.172 261 Q HA -0.086 4.255 4.340 0.001 0.000 0.200 261 Q C 2.120 178.078 176.000 -0.069 0.000 0.964 261 Q CA 0.981 56.739 55.803 -0.074 0.000 0.855 261 Q CB -0.139 28.543 28.738 -0.093 0.000 0.918 261 Q HN 0.306 nan 8.270 nan 0.000 0.444 262 R N 0.609 121.061 120.500 -0.080 0.000 2.075 262 R HA -0.024 4.316 4.340 0.001 0.000 0.226 262 R C -0.186 176.080 176.300 -0.057 0.000 1.114 262 R CA 0.885 56.943 56.100 -0.071 0.000 0.972 262 R CB 0.305 30.555 30.300 -0.084 0.000 0.869 262 R HN 0.112 nan 8.270 nan 0.000 0.437 263 N N 0.882 119.546 118.700 -0.059 0.000 2.851 263 N HA 0.165 4.905 4.740 0.001 0.000 0.248 263 N C -2.219 173.265 175.510 -0.043 0.000 1.221 263 N CA -1.317 51.705 53.050 -0.046 0.000 0.847 263 N CB 1.911 40.370 38.487 -0.047 0.000 1.150 263 N HN 0.110 nan 8.380 nan 0.000 0.507 264 P HA -0.072 nan 4.420 nan 0.000 0.221 264 P C 0.014 177.294 177.300 -0.033 0.000 1.150 264 P CA 1.128 64.208 63.100 -0.032 0.000 0.800 264 P CB 0.539 32.224 31.700 -0.025 0.000 0.787 265 D N -0.609 119.772 120.400 -0.031 0.000 2.349 265 D HA 0.039 4.680 4.640 0.001 0.000 0.215 265 D C 0.927 177.194 176.300 -0.054 0.000 1.016 265 D CA -0.042 53.938 54.000 -0.033 0.000 0.870 265 D CB -0.256 40.535 40.800 -0.016 0.000 0.917 265 D HN 0.161 nan 8.370 nan 0.000 0.524 266 L N 1.721 122.910 121.223 -0.056 0.000 2.490 266 L HA 0.041 4.382 4.340 0.001 0.000 0.274 266 L C 0.017 176.826 176.870 -0.102 0.000 1.201 266 L CA 0.176 54.969 54.840 -0.078 0.000 0.869 266 L CB 0.425 42.451 42.059 -0.055 0.000 1.123 266 L HN -0.337 nan 8.230 nan 0.000 0.484 267 K N 7.363 127.651 120.400 -0.188 0.000 2.234 267 K HA 0.436 4.756 4.320 0.001 0.000 0.277 267 K C -0.814 175.764 176.600 -0.037 0.000 1.038 267 K CA -0.095 56.094 56.287 -0.164 0.000 0.888 267 K CB 1.086 33.354 32.500 -0.386 0.000 1.091 267 K HN 0.585 nan 8.250 nan 0.000 0.467 268 I N 4.948 125.555 120.570 0.062 0.000 2.362 268 I HA 0.409 4.580 4.170 0.001 0.000 0.289 268 I C -0.109 176.185 176.117 0.295 0.000 0.994 268 I CA -0.693 60.706 61.300 0.165 0.000 1.158 268 I CB 0.986 39.090 38.000 0.173 0.000 1.315 268 I HN 0.326 nan 8.210 nan 0.000 0.451 269 I N 8.091 128.829 120.570 0.279 0.000 2.498 269 I HA 0.380 4.550 4.170 0.001 0.000 0.290 269 I C -2.442 173.728 176.117 0.090 0.000 1.032 269 I CA -2.111 59.307 61.300 0.197 0.000 1.073 269 I CB 2.663 40.785 38.000 0.204 0.000 1.251 269 I HN 0.275 nan 8.210 nan 0.000 0.426 270 P HA 0.152 nan 4.420 nan 0.000 0.281 270 P C -0.794 176.553 177.300 0.079 0.000 1.252 270 P CA -0.325 62.622 63.100 -0.256 0.000 0.778 270 P CB 1.074 32.325 31.700 -0.748 0.000 0.895 271 S N 3.798 119.662 115.700 0.273 0.000 2.422 271 S HA 0.398 4.869 4.470 0.001 0.000 0.298 271 S C 0.488 175.406 174.600 0.531 0.000 1.118 271 S CA -0.530 57.934 58.200 0.440 0.000 1.083 271 S CB -0.133 63.438 63.200 0.617 0.000 0.971 271 S HN 0.312 nan 8.310 nan 0.000 0.478 272 I N 3.577 124.412 120.570 0.441 0.000 2.315 272 I HA 0.542 4.712 4.170 0.001 0.000 0.291 272 I C 1.107 177.481 176.117 0.429 0.000 1.006 272 I CA 0.079 61.618 61.300 0.398 0.000 1.265 272 I CB 0.680 38.925 38.000 0.408 0.000 1.387 272 I HN 0.889 nan 8.210 nan 0.000 0.475 273 G N 4.487 113.437 108.800 0.249 0.000 2.936 273 G HA2 0.202 4.162 3.960 0.001 0.000 0.237 273 G HA3 0.202 4.162 3.960 0.001 0.000 0.237 273 G C 0.196 174.845 174.900 -0.418 0.000 1.403 273 G CA -0.019 45.124 45.100 0.072 0.000 1.011 273 G HN 1.575 nan 8.290 nan 0.000 0.568 274 G N -2.068 106.418 108.800 -0.523 0.000 2.685 274 G HA2 0.041 4.001 3.960 0.001 0.000 0.387 274 G HA3 0.041 4.001 3.960 0.001 0.000 0.387 274 G C 0.782 175.427 174.900 -0.425 0.000 1.324 274 G CA 0.582 45.086 45.100 -0.993 0.000 0.878 274 G HN 1.960 nan 8.290 nan 0.000 0.527 275 W N 0.220 121.231 121.300 -0.482 0.000 2.318 275 W HA -0.202 4.458 4.660 0.000 0.000 0.313 275 W C 2.455 178.841 176.519 -0.222 0.000 1.221 275 W CA 3.546 60.701 57.345 -0.316 0.000 1.266 275 W CB -0.528 28.781 29.460 -0.252 0.000 1.150 275 W HN 0.999 nan 8.180 nan 0.000 0.496 276 T N -1.565 112.907 114.554 -0.137 0.000 3.081 276 T HA 0.076 4.426 4.350 0.001 0.000 0.255 276 T C 1.433 176.037 174.700 -0.160 0.000 1.113 276 T CA 0.423 62.432 62.100 -0.151 0.000 1.082 276 T CB -0.440 68.424 68.868 -0.007 0.000 0.939 276 T HN 0.140 nan 8.240 nan 0.000 0.506 277 L N 0.841 121.948 121.223 -0.194 0.000 3.066 277 L HA 0.421 4.761 4.340 0.001 0.000 0.265 277 L C 1.608 178.339 176.870 -0.233 0.000 1.232 277 L CA -0.214 54.518 54.840 -0.179 0.000 1.031 277 L CB 0.432 42.419 42.059 -0.121 0.000 1.379 277 L HN 0.134 nan 8.230 nan 0.000 0.563 278 S N -0.508 115.067 115.700 -0.209 0.000 2.524 278 S HA -0.053 4.418 4.470 0.001 0.000 0.216 278 S C 1.197 175.650 174.600 -0.244 0.000 0.987 278 S CA 0.185 58.306 58.200 -0.132 0.000 0.909 278 S CB 0.079 63.233 63.200 -0.077 0.000 0.781 278 S HN 0.412 nan 8.310 nan 0.000 0.521 279 D N 2.337 122.639 120.400 -0.164 0.000 2.116 279 D HA -0.095 4.545 4.640 0.001 0.000 0.193 279 D C -0.881 175.350 176.300 -0.115 0.000 0.998 279 D CA 1.336 55.326 54.000 -0.018 0.000 0.836 279 D CB -1.675 39.100 40.800 -0.040 0.000 0.951 279 D HN 0.327 nan 8.370 nan 0.000 0.449 280 P HA -0.093 nan 4.420 nan 0.000 0.220 280 P C 1.198 178.081 177.300 -0.694 0.000 1.148 280 P CA 0.699 63.608 63.100 -0.318 0.000 0.803 280 P CB -0.139 31.339 31.700 -0.370 0.000 0.782 281 F N -1.950 117.281 119.950 -1.199 0.000 2.202 281 F HA -0.176 4.351 4.527 0.001 0.000 0.301 281 F C 2.002 176.814 175.800 -1.648 0.000 1.082 281 F CA 1.271 57.967 58.000 -2.174 0.000 1.313 281 F CB -1.653 35.602 39.000 -2.909 0.000 1.024 281 F HN 0.003 nan 8.300 nan 0.000 0.495 282 Y N -0.215 119.748 120.300 -0.563 0.000 2.483 282 Y HA -0.178 4.372 4.550 0.001 0.000 0.291 282 Y C 1.608 177.467 175.900 -0.068 0.000 1.143 282 Y CA 0.781 58.803 58.100 -0.129 0.000 1.289 282 Y CB -0.514 37.951 38.460 0.007 0.000 0.983 282 Y HN -0.001 nan 8.280 nan 0.000 0.556 283 D N -1.016 119.382 120.400 -0.003 0.000 2.328 283 D HA -0.012 4.628 4.640 0.001 0.000 0.221 283 D C 0.935 177.255 176.300 0.033 0.000 1.072 283 D CA 0.351 54.358 54.000 0.011 0.000 0.850 283 D CB -0.212 40.580 40.800 -0.014 0.000 0.922 283 D HN 0.255 nan 8.370 nan 0.000 0.516 284 F N 0.795 120.577 119.950 -0.279 0.000 2.802 284 F HA -0.041 4.487 4.527 0.001 0.000 0.300 284 F C 2.246 177.992 175.800 -0.089 0.000 1.168 284 F CA -0.291 57.564 58.000 -0.241 0.000 1.433 284 F CB -0.910 37.931 39.000 -0.265 0.000 1.115 284 F HN -0.102 nan 8.300 nan 0.000 0.582 285 V N -2.252 117.748 119.914 0.144 0.000 2.469 285 V HA -0.182 3.939 4.120 0.001 0.000 0.251 285 V C 0.859 176.972 176.094 0.032 0.000 1.064 285 V CA 1.476 63.840 62.300 0.106 0.000 1.066 285 V CB -0.573 31.317 31.823 0.112 0.000 0.667 285 V HN 0.110 nan 8.190 nan 0.000 0.461 286 D N 0.672 121.060 120.400 -0.019 0.000 2.316 286 D HA 0.146 4.787 4.640 0.001 0.000 0.245 286 D C 1.094 177.323 176.300 -0.119 0.000 1.171 286 D CA -0.130 53.832 54.000 -0.063 0.000 0.856 286 D CB 1.553 42.304 40.800 -0.081 0.000 1.090 286 D HN 0.328 nan 8.370 nan 0.000 0.476 287 K N 3.505 123.850 120.400 -0.091 0.000 2.152 287 K HA -0.164 4.157 4.320 0.001 0.000 0.206 287 K C 1.414 177.924 176.600 -0.150 0.000 1.048 287 K CA 1.065 57.283 56.287 -0.115 0.000 0.933 287 K CB 0.260 32.716 32.500 -0.073 0.000 0.721 287 K HN 0.324 nan 8.250 nan 0.000 0.447 288 K N 0.222 120.547 120.400 -0.126 0.000 2.103 288 K HA -0.126 4.194 4.320 0.001 0.000 0.207 288 K C 1.755 178.252 176.600 -0.171 0.000 1.048 288 K CA 1.453 57.672 56.287 -0.114 0.000 0.930 288 K CB -0.143 32.315 32.500 -0.070 0.000 0.716 288 K HN 0.217 nan 8.250 nan 0.000 0.444 289 N N 0.891 119.419 118.700 -0.286 0.000 2.188 289 N HA -0.092 4.648 4.740 0.001 0.000 0.184 289 N C 1.681 176.816 175.510 -0.626 0.000 1.018 289 N CA 0.958 53.713 53.050 -0.491 0.000 0.858 289 N CB -0.124 37.852 38.487 -0.851 0.000 0.989 289 N HN 0.213 nan 8.380 nan 0.000 0.426 290 R N 0.756 120.860 120.500 -0.660 0.000 2.081 290 R HA -0.067 4.274 4.340 0.001 0.000 0.235 290 R C 1.214 177.344 176.300 -0.283 0.000 1.131 290 R CA 1.136 56.842 56.100 -0.658 0.000 0.960 290 R CB -0.251 29.797 30.300 -0.421 0.000 0.856 290 R HN 0.210 nan 8.270 nan 0.000 0.436 291 D N 0.057 120.337 120.400 -0.201 0.000 2.104 291 D HA -0.132 4.509 4.640 0.001 0.000 0.194 291 D C 1.862 178.110 176.300 -0.087 0.000 0.994 291 D CA 1.667 55.596 54.000 -0.118 0.000 0.830 291 D CB -0.479 40.265 40.800 -0.092 0.000 0.959 291 D HN 0.159 nan 8.370 nan 0.000 0.452 292 T N 0.533 115.045 114.554 -0.071 0.000 2.684 292 T HA -0.171 4.180 4.350 0.001 0.000 0.267 292 T C 1.722 176.432 174.700 0.018 0.000 1.036 292 T CA 0.947 63.044 62.100 -0.005 0.000 1.148 292 T CB -0.539 68.366 68.868 0.062 0.000 0.863 292 T HN 0.130 nan 8.240 nan 0.000 0.436 293 F N 2.008 121.865 119.950 -0.155 0.000 2.075 293 F HA -0.136 4.392 4.527 0.001 0.000 0.297 293 F C 2.277 178.024 175.800 -0.089 0.000 1.113 293 F CA 0.899 58.829 58.000 -0.115 0.000 1.218 293 F CB -0.774 38.095 39.000 -0.219 0.000 0.984 293 F HN -0.092 nan 8.300 nan 0.000 0.472 294 V N 0.764 120.557 119.914 -0.202 0.000 2.332 294 V HA -0.333 3.788 4.120 0.001 0.000 0.248 294 V C 2.775 178.728 176.094 -0.234 0.000 1.055 294 V CA 1.894 64.037 62.300 -0.262 0.000 1.038 294 V CB -1.662 30.093 31.823 -0.112 0.000 0.651 294 V HN 0.527 nan 8.190 nan 0.000 0.450 295 A N -0.902 121.826 122.820 -0.153 0.000 1.933 295 A HA -0.238 4.082 4.320 0.001 0.000 0.218 295 A C 2.552 180.070 177.584 -0.109 0.000 1.175 295 A CA 2.211 54.183 52.037 -0.109 0.000 0.628 295 A CB -0.766 18.195 19.000 -0.066 0.000 0.814 295 A HN 0.480 nan 8.150 nan 0.000 0.444 296 S N -0.693 114.926 115.700 -0.135 0.000 2.368 296 S HA -0.121 4.349 4.470 0.001 0.000 0.225 296 S C 1.901 176.424 174.600 -0.129 0.000 1.030 296 S CA 1.578 59.714 58.200 -0.106 0.000 0.999 296 S CB -0.447 62.687 63.200 -0.109 0.000 0.844 296 S HN 0.306 nan 8.310 nan 0.000 0.459 297 V N 1.884 121.611 119.914 -0.312 0.000 2.343 297 V HA -0.133 3.988 4.120 0.001 0.000 0.247 297 V C 2.519 178.561 176.094 -0.086 0.000 1.051 297 V CA 2.028 64.172 62.300 -0.260 0.000 1.036 297 V CB -0.631 30.908 31.823 -0.474 0.000 0.654 297 V HN 0.485 nan 8.190 nan 0.000 0.451 298 K N 0.385 120.708 120.400 -0.129 0.000 2.063 298 K HA -0.265 4.055 4.320 0.001 0.000 0.208 298 K C 2.329 178.892 176.600 -0.061 0.000 1.048 298 K CA 1.956 58.176 56.287 -0.112 0.000 0.928 298 K CB -0.175 32.254 32.500 -0.119 0.000 0.713 298 K HN 0.381 nan 8.250 nan 0.000 0.442 299 K N -0.211 120.175 120.400 -0.023 0.000 2.057 299 K HA -0.179 4.141 4.320 0.001 0.000 0.207 299 K C 2.030 178.653 176.600 0.039 0.000 1.049 299 K CA 1.440 57.728 56.287 0.000 0.000 0.931 299 K CB -0.230 32.293 32.500 0.038 0.000 0.714 299 K HN 0.132 nan 8.250 nan 0.000 0.440 300 F N 1.373 121.315 119.950 -0.013 0.000 2.134 300 F HA -0.138 4.390 4.527 0.001 0.000 0.299 300 F C 1.696 177.565 175.800 0.116 0.000 1.097 300 F CA 1.273 59.346 58.000 0.122 0.000 1.264 300 F CB 0.068 39.133 39.000 0.108 0.000 1.001 300 F HN -0.031 nan 8.300 nan 0.000 0.479 301 L N -0.294 121.015 121.223 0.144 0.000 2.217 301 L HA -0.141 4.199 4.340 0.001 0.000 0.211 301 L C 2.189 179.015 176.870 -0.074 0.000 1.107 301 L CA 1.045 55.920 54.840 0.059 0.000 0.783 301 L CB -0.510 41.556 42.059 0.011 0.000 0.919 301 L HN 0.050 nan 8.230 nan 0.000 0.442 302 K N -0.623 119.681 120.400 -0.161 0.000 2.103 302 K HA -0.061 4.259 4.320 0.001 0.000 0.204 302 K C 2.069 178.290 176.600 -0.632 0.000 1.052 302 K CA 1.451 57.579 56.287 -0.265 0.000 0.945 302 K CB -0.090 32.292 32.500 -0.197 0.000 0.722 302 K HN 0.185 nan 8.250 nan 0.000 0.443 303 T N -0.186 113.930 114.554 -0.729 0.000 2.812 303 T HA -0.101 4.249 4.350 0.001 0.000 0.264 303 T C 0.065 174.079 174.700 -1.144 0.000 1.042 303 T CA 0.981 62.331 62.100 -1.251 0.000 1.140 303 T CB -0.056 68.222 68.868 -0.984 0.000 0.870 303 T HN 0.271 nan 8.240 nan 0.000 0.445 304 W N 2.115 123.149 121.300 -0.442 0.000 2.313 304 W HA 0.477 5.137 4.660 0.001 0.000 0.315 304 W C 0.871 177.163 176.519 -0.379 0.000 0.917 304 W CA -0.997 56.126 57.345 -0.370 0.000 1.626 304 W CB 0.422 29.571 29.460 -0.518 0.000 1.574 304 W HN -0.042 nan 8.180 nan 0.000 0.395 305 K N 1.041 121.427 120.400 -0.023 0.000 2.365 305 K HA -0.116 4.205 4.320 0.001 0.000 0.199 305 K C 1.593 178.203 176.600 0.017 0.000 1.045 305 K CA 0.989 57.282 56.287 0.011 0.000 0.962 305 K CB -0.107 32.427 32.500 0.056 0.000 0.759 305 K HN 0.547 nan 8.250 nan 0.000 0.469 306 F N -0.847 119.070 119.950 -0.054 0.000 2.407 306 F HA -0.007 4.520 4.527 0.001 0.000 0.299 306 F C 0.518 176.245 175.800 -0.123 0.000 1.097 306 F CA -0.184 57.729 58.000 -0.146 0.000 1.422 306 F CB -0.836 38.001 39.000 -0.272 0.000 1.067 306 F HN -0.191 nan 8.300 nan 0.000 0.539 307 Y N 2.203 122.094 120.300 -0.682 0.000 2.425 307 Y HA 0.071 4.621 4.550 0.001 0.000 0.331 307 Y C 0.780 176.632 175.900 -0.079 0.000 1.157 307 Y CA -0.600 57.255 58.100 -0.407 0.000 1.372 307 Y CB 0.466 38.668 38.460 -0.430 0.000 1.253 307 Y HN 0.070 nan 8.280 nan 0.000 0.536 308 D N 2.341 122.844 120.400 0.171 0.000 2.424 308 D HA 0.266 4.907 4.640 0.001 0.000 0.220 308 D C 0.673 177.089 176.300 0.192 0.000 1.150 308 D CA 0.386 54.402 54.000 0.027 0.000 0.831 308 D CB 0.789 41.579 40.800 -0.016 0.000 0.981 308 D HN 0.880 nan 8.370 nan 0.000 0.500 309 G N -0.267 108.753 108.800 0.366 0.000 2.398 309 G HA2 0.218 4.179 3.960 0.001 0.000 0.251 309 G HA3 0.218 4.179 3.960 0.001 0.000 0.251 309 G C -1.952 173.065 174.900 0.195 0.000 1.277 309 G CA -0.199 45.120 45.100 0.365 0.000 0.927 309 G HN 0.112 nan 8.290 nan 0.000 0.477 310 V N 0.348 120.365 119.914 0.171 0.000 2.851 310 V HA 0.693 4.813 4.120 0.001 0.000 0.307 310 V C -1.945 174.266 176.094 0.195 0.000 1.129 310 V CA -0.317 62.060 62.300 0.129 0.000 0.932 310 V CB 2.074 33.949 31.823 0.086 0.000 1.024 310 V HN 1.065 nan 8.190 nan 0.000 0.426 311 D N 5.520 126.051 120.400 0.217 0.000 2.408 311 D HA 0.483 5.124 4.640 0.001 0.000 0.243 311 D C -0.809 175.682 176.300 0.318 0.000 1.075 311 D CA -0.392 53.782 54.000 0.289 0.000 0.832 311 D CB 1.284 42.264 40.800 0.301 0.000 1.162 311 D HN 0.384 nan 8.370 nan 0.000 0.515 312 I N 3.545 124.291 120.570 0.294 0.000 2.307 312 I HA 0.237 4.408 4.170 0.001 0.000 0.289 312 I C -0.489 175.759 176.117 0.220 0.000 1.021 312 I CA -0.572 60.879 61.300 0.252 0.000 1.224 312 I CB 1.175 39.250 38.000 0.126 0.000 1.376 312 I HN 0.355 nan 8.210 nan 0.000 0.470 313 D N 6.679 127.215 120.400 0.227 0.000 2.514 313 D HA 0.094 4.735 4.640 0.001 0.000 0.267 313 D C -0.541 175.778 176.300 0.032 0.000 1.165 313 D CA -0.141 53.974 54.000 0.191 0.000 0.958 313 D CB 0.499 41.487 40.800 0.313 0.000 0.992 313 D HN 0.356 nan 8.370 nan 0.000 0.506 314 W N 3.459 124.514 121.300 -0.408 0.000 2.316 314 W HA 0.412 5.072 4.660 0.000 0.000 0.308 314 W C -1.063 175.210 176.519 -0.411 0.000 1.106 314 W CA -1.312 55.639 57.345 -0.657 0.000 1.262 314 W CB 0.394 29.207 29.460 -1.077 0.000 1.233 314 W HN 0.102 nan 8.180 nan 0.000 0.447 315 M N 8.623 128.166 119.600 -0.095 0.000 2.023 315 M HA 0.366 4.847 4.480 0.001 0.000 0.325 315 M C -1.630 174.388 176.300 -0.470 0.000 0.963 315 M CA -0.283 54.532 55.300 -0.808 0.000 0.928 315 M CB 0.810 32.792 32.600 -1.029 0.000 1.429 315 M HN 0.088 nan 8.290 nan 0.000 0.404 316 F N 1.813 121.803 119.950 0.067 0.000 2.601 316 F HA 0.586 5.113 4.527 0.000 0.000 0.309 316 F C -2.412 173.021 175.800 -0.613 0.000 1.089 316 F CA -2.478 55.336 58.000 -0.309 0.000 0.940 316 F CB 1.447 40.338 39.000 -0.181 0.000 1.273 316 F HN 0.290 nan 8.300 nan 0.000 0.450 317 P HA 0.182 nan 4.420 nan 0.000 0.261 317 P C 0.666 177.788 177.300 -0.297 0.000 1.183 317 P CA 1.318 63.809 63.100 -1.014 0.000 0.761 317 P CB 0.440 31.416 31.700 -1.205 0.000 0.785 318 G N 1.994 110.774 108.800 -0.033 0.000 2.217 318 G HA2 0.071 4.031 3.960 0.001 0.000 0.246 318 G HA3 0.071 4.031 3.960 0.001 0.000 0.246 318 G C 0.478 175.426 174.900 0.081 0.000 0.990 318 G CA 0.134 45.243 45.100 0.014 0.000 0.627 318 G HN 1.040 nan 8.290 nan 0.000 0.522 319 G N -1.657 107.270 108.800 0.211 0.000 2.566 319 G HA2 0.516 4.476 3.960 0.001 0.000 0.599 319 G HA3 0.516 4.476 3.960 0.001 0.000 0.599 319 G C 1.166 176.187 174.900 0.202 0.000 1.292 319 G CA 1.192 46.398 45.100 0.176 0.000 0.922 319 G HN 2.503 nan 8.290 nan 0.000 0.514 320 G N -1.841 107.054 108.800 0.158 0.000 2.159 320 G HA2 0.322 4.283 3.960 0.001 0.000 0.227 320 G HA3 0.322 4.283 3.960 0.001 0.000 0.227 320 G C 1.574 176.717 174.900 0.404 0.000 0.986 320 G CA 1.109 46.330 45.100 0.203 0.000 0.651 320 G HN 2.359 nan 8.290 nan 0.000 0.523 321 G N -0.740 108.197 108.800 0.228 0.000 2.574 321 G HA2 0.698 4.658 3.960 0.001 0.000 0.248 321 G HA3 0.698 4.658 3.960 0.001 0.000 0.248 321 G C 1.468 176.001 174.900 -0.612 0.000 1.422 321 G CA 1.020 45.940 45.100 -0.300 0.000 1.051 321 G HN 1.204 nan 8.290 nan 0.000 0.560 322 A N -0.731 121.322 122.820 -1.277 0.000 1.933 322 A HA 0.351 4.671 4.320 0.001 0.000 0.218 322 A C 1.799 179.186 177.584 -0.329 0.000 1.175 322 A CA 1.908 53.438 52.037 -0.845 0.000 0.628 322 A CB -0.755 17.607 19.000 -1.064 0.000 0.814 322 A HN 1.474 nan 8.150 nan 0.000 0.444 323 A N -0.447 122.200 122.820 -0.289 0.000 2.343 323 A HA 0.603 4.924 4.320 0.001 0.000 0.305 323 A C 1.246 178.725 177.584 -0.175 0.000 1.308 323 A CA 0.304 52.225 52.037 -0.194 0.000 0.949 323 A CB 0.070 18.956 19.000 -0.191 0.000 1.148 323 A HN 0.996 nan 8.150 nan 0.000 0.545 324 A N 2.422 125.174 122.820 -0.113 0.000 2.015 324 A HA -0.101 4.219 4.320 0.001 0.000 0.219 324 A C 1.496 179.018 177.584 -0.103 0.000 1.163 324 A CA 1.618 53.608 52.037 -0.079 0.000 0.646 324 A CB -0.219 18.758 19.000 -0.037 0.000 0.806 324 A HN 0.813 nan 8.150 nan 0.000 0.448 325 D N -0.749 119.575 120.400 -0.127 0.000 2.340 325 D HA 0.064 4.704 4.640 0.001 0.000 0.220 325 D C 0.309 176.496 176.300 -0.189 0.000 1.039 325 D CA 0.281 54.207 54.000 -0.125 0.000 0.866 325 D CB 0.067 40.809 40.800 -0.097 0.000 0.913 325 D HN 0.342 nan 8.370 nan 0.000 0.523 326 K N -0.281 119.931 120.400 -0.314 0.000 2.340 326 K HA 0.647 4.967 4.320 0.001 0.000 0.244 326 K C -0.295 175.959 176.600 -0.576 0.000 0.973 326 K CA -0.798 55.154 56.287 -0.558 0.000 0.828 326 K CB 2.523 34.436 32.500 -0.979 0.000 1.226 326 K HN 0.106 nan 8.250 nan 0.000 0.437 327 G N 1.758 110.290 108.800 -0.447 0.000 2.957 327 G HA2 -0.008 3.953 3.960 0.001 0.000 0.636 327 G HA3 -0.008 3.953 3.960 0.001 0.000 0.636 327 G C -1.994 172.940 174.900 0.057 0.000 1.401 327 G CA -0.884 44.202 45.100 -0.023 0.000 0.941 327 G HN 0.550 nan 8.290 nan 0.000 0.610 328 D N 3.294 123.787 120.400 0.155 0.000 2.389 328 D HA 0.532 5.173 4.640 0.001 0.000 0.256 328 D C -1.443 174.898 176.300 0.068 0.000 1.239 328 D CA -2.064 51.996 54.000 0.100 0.000 0.925 328 D CB 2.257 43.135 40.800 0.129 0.000 1.145 328 D HN 0.054 nan 8.370 nan 0.000 0.542 329 P HA -0.094 nan 4.420 nan 0.000 0.222 329 P C 1.418 178.714 177.300 -0.006 0.000 1.147 329 P CA 0.453 63.550 63.100 -0.006 0.000 0.790 329 P CB 0.626 32.319 31.700 -0.011 0.000 0.780 330 V N -0.289 119.633 119.914 0.014 0.000 2.379 330 V HA -0.075 4.045 4.120 0.001 0.000 0.243 330 V C 1.837 177.945 176.094 0.024 0.000 1.035 330 V CA 1.723 64.032 62.300 0.014 0.000 1.035 330 V CB -0.736 31.098 31.823 0.019 0.000 0.673 330 V HN 0.153 nan 8.190 nan 0.000 0.457 331 N N -0.710 118.020 118.700 0.051 0.000 2.348 331 N HA -0.014 4.726 4.740 0.001 0.000 0.183 331 N C 1.228 176.807 175.510 0.115 0.000 1.094 331 N CA 0.430 53.526 53.050 0.076 0.000 0.885 331 N CB 0.166 38.705 38.487 0.086 0.000 1.065 331 N HN 0.366 nan 8.380 nan 0.000 0.472 332 D N 1.146 121.619 120.400 0.120 0.000 2.097 332 D HA -0.070 4.570 4.640 0.001 0.000 0.195 332 D C 1.987 178.302 176.300 0.025 0.000 0.989 332 D CA 1.151 55.247 54.000 0.161 0.000 0.827 332 D CB -0.463 40.378 40.800 0.069 0.000 0.966 332 D HN 0.266 nan 8.370 nan 0.000 0.456 333 G N 1.406 110.153 108.800 -0.087 0.000 2.433 333 G HA2 -0.194 3.766 3.960 0.001 0.000 0.216 333 G HA3 -0.194 3.766 3.960 0.001 0.000 0.216 333 G C -0.729 174.173 174.900 0.004 0.000 1.186 333 G CA 0.589 45.603 45.100 -0.144 0.000 0.779 333 G HN 0.293 nan 8.290 nan 0.000 0.543 334 P HA -0.081 nan 4.420 nan 0.000 0.216 334 P C 2.132 179.502 177.300 0.116 0.000 1.150 334 P CA 2.012 65.151 63.100 0.066 0.000 0.843 334 P CB -0.130 31.600 31.700 0.050 0.000 0.787 335 A N -1.586 121.336 122.820 0.170 0.000 1.898 335 A HA -0.222 4.098 4.320 0.001 0.000 0.216 335 A C 2.279 180.048 177.584 0.307 0.000 1.181 335 A CA 1.385 53.564 52.037 0.236 0.000 0.620 335 A CB -1.865 17.331 19.000 0.326 0.000 0.819 335 A HN 0.166 nan 8.150 nan 0.000 0.442 336 Y N 0.577 121.002 120.300 0.209 0.000 2.145 336 Y HA -0.207 4.344 4.550 0.001 0.000 0.286 336 Y C 1.997 177.958 175.900 0.101 0.000 1.145 336 Y CA 1.925 60.134 58.100 0.181 0.000 1.148 336 Y CB -0.280 38.143 38.460 -0.061 0.000 0.981 336 Y HN 0.270 nan 8.280 nan 0.000 0.507 337 I N 0.140 120.862 120.570 0.254 0.000 2.163 337 I HA -0.355 3.816 4.170 0.001 0.000 0.243 337 I C 2.697 178.839 176.117 0.041 0.000 1.085 337 I CA 1.363 62.766 61.300 0.172 0.000 1.347 337 I CB -0.827 37.274 38.000 0.168 0.000 1.044 337 I HN 0.338 nan 8.210 nan 0.000 0.408 338 A N 0.630 123.470 122.820 0.033 0.000 1.902 338 A HA -0.224 4.096 4.320 0.001 0.000 0.217 338 A C 2.272 179.807 177.584 -0.081 0.000 1.181 338 A CA 1.625 53.638 52.037 -0.039 0.000 0.623 338 A CB -0.854 18.145 19.000 -0.000 0.000 0.818 338 A HN 0.399 nan 8.150 nan 0.000 0.443 339 L N -0.883 120.330 121.223 -0.015 0.000 2.012 339 L HA -0.194 4.146 4.340 0.001 0.000 0.210 339 L C 2.372 179.202 176.870 -0.066 0.000 1.073 339 L CA 2.138 56.978 54.840 0.001 0.000 0.748 339 L CB -0.437 41.688 42.059 0.110 0.000 0.891 339 L HN 0.308 nan 8.230 nan 0.000 0.431 340 M N -0.826 118.693 119.600 -0.134 0.000 2.117 340 M HA -0.186 4.295 4.480 0.001 0.000 0.262 340 M C 2.461 178.596 176.300 -0.274 0.000 1.065 340 M CA 1.648 56.877 55.300 -0.119 0.000 1.114 340 M CB -1.344 31.246 32.600 -0.017 0.000 1.361 340 M HN 0.334 nan 8.290 nan 0.000 0.408 341 R N 0.636 120.755 120.500 -0.635 0.000 2.083 341 R HA -0.185 4.156 4.340 0.001 0.000 0.237 341 R C 1.962 177.996 176.300 -0.443 0.000 1.137 341 R CA 2.003 57.451 56.100 -1.086 0.000 0.951 341 R CB -0.062 29.619 30.300 -1.031 0.000 0.851 341 R HN 0.436 nan 8.270 nan 0.000 0.434 342 E N 0.240 120.282 120.200 -0.263 0.000 2.072 342 E HA -0.160 4.190 4.350 0.001 0.000 0.191 342 E C 2.091 178.629 176.600 -0.104 0.000 0.985 342 E CA 1.255 57.566 56.400 -0.149 0.000 0.801 342 E CB -0.058 29.576 29.700 -0.109 0.000 0.750 342 E HN 0.333 nan 8.360 nan 0.000 0.452 343 L N 0.668 121.846 121.223 -0.075 0.000 2.046 343 L HA -0.192 4.148 4.340 0.001 0.000 0.208 343 L C 2.604 179.450 176.870 -0.040 0.000 1.077 343 L CA 0.866 55.683 54.840 -0.039 0.000 0.747 343 L CB -0.246 41.826 42.059 0.022 0.000 0.896 343 L HN 0.058 nan 8.230 nan 0.000 0.432 344 R N 0.267 120.742 120.500 -0.040 0.000 2.081 344 R HA -0.109 4.231 4.340 0.001 0.000 0.235 344 R C 2.008 178.304 176.300 -0.007 0.000 1.131 344 R CA 1.658 57.764 56.100 0.010 0.000 0.960 344 R CB -1.057 29.290 30.300 0.079 0.000 0.856 344 R HN 0.136 nan 8.270 nan 0.000 0.436 345 V N 1.316 121.203 119.914 -0.044 0.000 2.287 345 V HA -0.290 3.831 4.120 0.001 0.000 0.248 345 V C 2.554 178.621 176.094 -0.045 0.000 1.053 345 V CA 2.173 64.451 62.300 -0.038 0.000 1.027 345 V CB -0.632 31.158 31.823 -0.056 0.000 0.646 345 V HN 0.414 nan 8.190 nan 0.000 0.447 346 M N -0.378 119.182 119.600 -0.066 0.000 2.086 346 M HA -0.157 4.323 4.480 0.001 0.000 0.261 346 M C 2.134 178.369 176.300 -0.108 0.000 1.067 346 M CA 2.080 57.327 55.300 -0.088 0.000 1.116 346 M CB -0.675 31.861 32.600 -0.106 0.000 1.348 346 M HN 0.300 nan 8.290 nan 0.000 0.407 347 L N 0.051 121.216 121.223 -0.096 0.000 2.141 347 L HA -0.226 4.114 4.340 0.001 0.000 0.209 347 L C 1.995 178.836 176.870 -0.047 0.000 1.094 347 L CA 1.038 55.806 54.840 -0.120 0.000 0.763 347 L CB -0.920 41.123 42.059 -0.027 0.000 0.908 347 L HN 0.235 nan 8.230 nan 0.000 0.437 348 D N 0.163 120.560 120.400 -0.006 0.000 2.144 348 D HA -0.181 4.460 4.640 0.001 0.000 0.199 348 D C 2.091 178.393 176.300 0.004 0.000 0.984 348 D CA 1.079 55.091 54.000 0.020 0.000 0.834 348 D CB -0.020 40.794 40.800 0.023 0.000 0.955 348 D HN 0.394 nan 8.370 nan 0.000 0.465 349 E N 0.243 120.426 120.200 -0.028 0.000 2.058 349 E HA -0.130 4.220 4.350 0.001 0.000 0.194 349 E C 2.378 178.955 176.600 -0.038 0.000 0.997 349 E CA 0.513 56.893 56.400 -0.033 0.000 0.801 349 E CB -0.130 29.540 29.700 -0.051 0.000 0.746 349 E HN 0.262 nan 8.360 nan 0.000 0.450 350 L N 1.029 122.196 121.223 -0.094 0.000 2.046 350 L HA -0.217 4.124 4.340 0.001 0.000 0.208 350 L C 2.405 179.308 176.870 0.056 0.000 1.077 350 L CA 1.251 56.022 54.840 -0.114 0.000 0.747 350 L CB -0.400 41.388 42.059 -0.452 0.000 0.896 350 L HN 0.176 nan 8.230 nan 0.000 0.432 351 E N 0.043 120.310 120.200 0.110 0.000 2.077 351 E HA -0.238 4.113 4.350 0.001 0.000 0.193 351 E C 2.273 178.933 176.600 0.099 0.000 0.989 351 E CA 1.228 57.733 56.400 0.176 0.000 0.800 351 E CB -0.163 29.633 29.700 0.161 0.000 0.746 351 E HN 0.514 nan 8.360 nan 0.000 0.452 352 A N 1.326 124.182 122.820 0.059 0.000 1.933 352 A HA -0.218 4.102 4.320 0.001 0.000 0.218 352 A C 1.857 179.463 177.584 0.038 0.000 1.175 352 A CA 1.421 53.483 52.037 0.040 0.000 0.628 352 A CB -0.316 18.699 19.000 0.024 0.000 0.814 352 A HN 0.162 nan 8.150 nan 0.000 0.444 353 E N -1.033 119.189 120.200 0.037 0.000 2.216 353 E HA -0.075 4.275 4.350 0.001 0.000 0.192 353 E C 1.882 178.512 176.600 0.050 0.000 0.988 353 E CA 1.429 57.848 56.400 0.032 0.000 0.834 353 E CB -0.003 29.706 29.700 0.016 0.000 0.772 353 E HN 0.825 nan 8.360 nan 0.000 0.479 354 T N -4.729 109.873 114.554 0.081 0.000 2.959 354 T HA 0.300 4.650 4.350 0.001 0.000 0.254 354 T C 1.619 176.367 174.700 0.079 0.000 1.003 354 T CA 0.334 62.490 62.100 0.094 0.000 0.950 354 T CB 0.881 69.844 68.868 0.158 0.000 1.090 354 T HN 0.204 nan 8.240 nan 0.000 0.503 355 G N 2.046 110.892 108.800 0.078 0.000 2.184 355 G HA2 -0.283 3.677 3.960 0.001 0.000 0.264 355 G HA3 -0.283 3.677 3.960 0.001 0.000 0.264 355 G C 0.238 175.168 174.900 0.050 0.000 0.975 355 G CA 0.251 45.386 45.100 0.057 0.000 0.642 355 G HN 0.716 nan 8.290 nan 0.000 0.536 356 R N -0.015 120.524 120.500 0.064 0.000 2.583 356 R HA 0.578 4.918 4.340 0.001 0.000 0.268 356 R C -0.102 176.196 176.300 -0.003 0.000 1.101 356 R CA 0.153 56.243 56.100 -0.016 0.000 1.180 356 R CB 0.530 30.760 30.300 -0.117 0.000 1.128 356 R HN 0.143 nan 8.270 nan 0.000 0.568 357 T N 1.610 116.105 114.554 -0.100 0.000 2.771 357 T HA 0.347 4.697 4.350 0.001 0.000 0.281 357 T C -1.080 173.529 174.700 -0.152 0.000 0.982 357 T CA -0.388 61.692 62.100 -0.035 0.000 0.978 357 T CB 0.389 69.252 68.868 -0.009 0.000 0.930 357 T HN 0.265 nan 8.240 nan 0.000 0.447 358 Y N 1.406 121.736 120.300 0.050 0.000 2.409 358 Y HA 0.425 4.975 4.550 0.001 0.000 0.339 358 Y C 0.832 176.777 175.900 0.075 0.000 1.033 358 Y CA -0.926 57.211 58.100 0.062 0.000 1.094 358 Y CB 1.450 39.940 38.460 0.049 0.000 1.210 358 Y HN 0.572 nan 8.280 nan 0.000 0.456 359 E N 2.602 122.952 120.200 0.250 0.000 2.191 359 E HA 0.452 4.803 4.350 0.001 0.000 0.274 359 E C -1.636 175.091 176.600 0.212 0.000 0.948 359 E CA -1.111 55.416 56.400 0.212 0.000 0.802 359 E CB 2.317 32.177 29.700 0.266 0.000 1.137 359 E HN 0.297 nan 8.360 nan 0.000 0.397 360 L N 2.540 123.858 121.223 0.158 0.000 2.343 360 L HA 0.422 4.762 4.340 0.001 0.000 0.278 360 L C -0.644 176.314 176.870 0.145 0.000 0.996 360 L CA -0.019 54.910 54.840 0.149 0.000 0.831 360 L CB 1.426 43.554 42.059 0.116 0.000 1.232 360 L HN 0.674 nan 8.230 nan 0.000 0.413 361 T N 0.806 115.482 114.554 0.203 0.000 2.887 361 T HA 0.852 5.203 4.350 0.001 0.000 0.292 361 T C -0.641 174.216 174.700 0.261 0.000 1.087 361 T CA -0.754 61.478 62.100 0.220 0.000 1.009 361 T CB 1.702 70.795 68.868 0.374 0.000 1.203 361 T HN 0.643 nan 8.240 nan 0.000 0.518 362 S N -0.514 115.354 115.700 0.280 0.000 2.543 362 S HA 0.672 5.142 4.470 0.001 0.000 0.271 362 S C -1.048 173.768 174.600 0.361 0.000 1.148 362 S CA -0.474 57.924 58.200 0.330 0.000 0.914 362 S CB 1.034 64.445 63.200 0.351 0.000 1.096 362 S HN 1.329 nan 8.310 nan 0.000 0.471 363 A N 4.332 127.382 122.820 0.383 0.000 2.289 363 A HA 0.767 5.087 4.320 0.001 0.000 0.298 363 A C -0.029 177.697 177.584 0.238 0.000 1.208 363 A CA -0.664 51.565 52.037 0.321 0.000 0.845 363 A CB -0.207 19.011 19.000 0.364 0.000 1.125 363 A HN 1.141 nan 8.150 nan 0.000 0.517 364 I N -0.019 120.653 120.570 0.170 0.000 2.785 364 I HA 0.849 5.019 4.170 0.001 0.000 0.302 364 I C 0.399 176.590 176.117 0.125 0.000 1.069 364 I CA -1.037 60.338 61.300 0.125 0.000 1.045 364 I CB 2.063 40.050 38.000 -0.023 0.000 1.236 364 I HN 0.603 nan 8.210 nan 0.000 0.429 365 G N 2.304 111.228 108.800 0.207 0.000 2.544 365 G HA2 0.392 4.352 3.960 0.001 0.000 0.242 365 G HA3 0.392 4.352 3.960 0.001 0.000 0.242 365 G C 0.548 175.402 174.900 -0.077 0.000 1.247 365 G CA 0.007 45.159 45.100 0.086 0.000 0.840 365 G HN 1.212 nan 8.290 nan 0.000 0.578 366 V N -0.048 119.807 119.914 -0.099 0.000 3.477 366 V HA 0.464 4.584 4.120 0.001 0.000 0.297 366 V C 1.130 177.149 176.094 -0.126 0.000 1.433 366 V CA 0.292 62.547 62.300 -0.075 0.000 1.052 366 V CB -0.288 31.547 31.823 0.020 0.000 0.895 366 V HN 0.815 nan 8.190 nan 0.000 0.438 367 G N 0.547 109.171 108.800 -0.294 0.000 2.432 367 G HA2 0.164 4.124 3.960 0.001 0.000 0.239 367 G HA3 0.164 4.124 3.960 0.001 0.000 0.239 367 G C 0.461 175.287 174.900 -0.122 0.000 1.291 367 G CA 0.443 45.359 45.100 -0.308 0.000 0.863 367 G HN 0.742 nan 8.290 nan 0.000 0.560 368 Y N 0.430 120.779 120.300 0.081 0.000 2.193 368 Y HA -0.250 4.300 4.550 0.001 0.000 0.285 368 Y C 1.998 177.897 175.900 -0.001 0.000 1.166 368 Y CA 1.838 59.957 58.100 0.032 0.000 1.181 368 Y CB -0.192 38.291 38.460 0.039 0.000 0.976 368 Y HN 0.489 nan 8.280 nan 0.000 0.520 369 D N -0.295 119.475 120.400 -1.051 0.000 2.363 369 D HA -0.084 4.557 4.640 0.001 0.000 0.220 369 D C 1.074 177.116 176.300 -0.430 0.000 0.994 369 D CA 0.506 54.025 54.000 -0.802 0.000 0.890 369 D CB -0.071 40.181 40.800 -0.913 0.000 0.906 369 D HN 0.417 nan 8.370 nan 0.000 0.530 370 K N 0.595 120.751 120.400 -0.407 0.000 2.240 370 K HA 0.211 4.532 4.320 0.001 0.000 0.202 370 K C 2.420 178.904 176.600 -0.193 0.000 1.053 370 K CA -0.069 55.992 56.287 -0.376 0.000 0.973 370 K CB -0.176 31.963 32.500 -0.602 0.000 0.924 370 K HN 0.195 nan 8.250 nan 0.000 0.477 371 I N 2.933 123.441 120.570 -0.104 0.000 2.264 371 I HA -0.274 3.897 4.170 0.001 0.000 0.248 371 I C 2.437 178.574 176.117 0.033 0.000 1.111 371 I CA 1.555 62.892 61.300 0.063 0.000 1.382 371 I CB -0.380 37.654 38.000 0.057 0.000 1.060 371 I HN 0.328 nan 8.210 nan 0.000 0.418 372 E N 0.542 120.730 120.200 -0.021 0.000 2.338 372 E HA -0.224 4.126 4.350 0.001 0.000 0.197 372 E C 0.900 177.452 176.600 -0.080 0.000 1.007 372 E CA 1.143 57.533 56.400 -0.018 0.000 0.849 372 E CB -0.249 29.465 29.700 0.023 0.000 0.774 372 E HN 0.496 nan 8.360 nan 0.000 0.506 373 D N 0.903 121.217 120.400 -0.143 0.000 2.349 373 D HA 0.056 4.696 4.640 0.001 0.000 0.215 373 D C -0.020 176.109 176.300 -0.284 0.000 1.016 373 D CA 0.347 54.235 54.000 -0.188 0.000 0.870 373 D CB 0.838 41.516 40.800 -0.204 0.000 0.917 373 D HN 0.040 nan 8.370 nan 0.000 0.524 374 V N 1.118 120.798 119.914 -0.390 0.000 2.656 374 V HA 0.122 4.242 4.120 0.001 0.000 0.307 374 V C -0.307 175.503 176.094 -0.472 0.000 1.051 374 V CA -1.085 60.843 62.300 -0.621 0.000 0.893 374 V CB 2.585 33.583 31.823 -1.376 0.000 0.999 374 V HN -0.193 nan 8.190 nan 0.000 0.426 375 D N 2.424 122.644 120.400 -0.301 0.000 2.470 375 D HA 0.171 4.812 4.640 0.001 0.000 0.226 375 D C 0.472 176.696 176.300 -0.127 0.000 1.196 375 D CA 0.019 53.934 54.000 -0.142 0.000 0.979 375 D CB 0.356 41.124 40.800 -0.053 0.000 1.059 375 D HN 0.496 nan 8.370 nan 0.000 0.515 376 Y N 2.030 122.327 120.300 -0.007 0.000 2.421 376 Y HA -0.052 4.499 4.550 0.001 0.000 0.292 376 Y C 2.391 178.310 175.900 0.032 0.000 1.136 376 Y CA 0.917 59.032 58.100 0.025 0.000 1.255 376 Y CB -0.263 38.194 38.460 -0.005 0.000 0.991 376 Y HN 0.522 nan 8.280 nan 0.000 0.552 377 A N -0.076 122.828 122.820 0.140 0.000 1.908 377 A HA -0.242 4.078 4.320 0.001 0.000 0.218 377 A C 2.071 179.678 177.584 0.038 0.000 1.181 377 A CA 2.120 54.199 52.037 0.070 0.000 0.627 377 A CB -0.695 18.329 19.000 0.041 0.000 0.818 377 A HN 0.388 nan 8.150 nan 0.000 0.445 378 D N -0.273 120.156 120.400 0.048 0.000 2.084 378 D HA -0.011 4.630 4.640 0.001 0.000 0.196 378 D C 2.205 178.565 176.300 0.099 0.000 0.985 378 D CA 1.597 55.627 54.000 0.049 0.000 0.826 378 D CB -0.325 40.519 40.800 0.073 0.000 0.978 378 D HN 0.297 nan 8.370 nan 0.000 0.456 379 A N 0.377 123.307 122.820 0.184 0.000 1.908 379 A HA -0.134 4.186 4.320 0.001 0.000 0.218 379 A C 2.501 180.236 177.584 0.253 0.000 1.181 379 A CA 1.617 53.840 52.037 0.310 0.000 0.627 379 A CB -0.974 18.277 19.000 0.419 0.000 0.818 379 A HN 0.234 nan 8.150 nan 0.000 0.445 380 V N 1.274 121.288 119.914 0.167 0.000 2.970 380 V HA -0.235 3.885 4.120 0.001 0.000 0.260 380 V C 2.609 178.681 176.094 -0.036 0.000 1.100 380 V CA 2.145 64.500 62.300 0.092 0.000 1.122 380 V CB -0.726 31.145 31.823 0.080 0.000 0.721 380 V HN 0.900 nan 8.190 nan 0.000 0.483 381 Q N -1.230 118.467 119.800 -0.172 0.000 2.291 381 Q HA -0.221 4.119 4.340 0.001 0.000 0.206 381 Q C 1.523 177.305 176.000 -0.365 0.000 0.976 381 Q CA 2.133 57.738 55.803 -0.330 0.000 0.875 381 Q CB -0.474 27.969 28.738 -0.491 0.000 0.927 381 Q HN 0.755 nan 8.270 nan 0.000 0.450 382 Y N 0.123 120.432 120.300 0.014 0.000 2.462 382 Y HA 0.344 4.895 4.550 0.001 0.000 0.261 382 Y C 0.748 176.647 175.900 -0.001 0.000 1.146 382 Y CA -0.481 57.624 58.100 0.008 0.000 1.283 382 Y CB 0.526 38.995 38.460 0.014 0.000 1.090 382 Y HN 0.038 nan 8.280 nan 0.000 0.526 383 M N -0.520 119.134 119.600 0.090 0.000 2.578 383 M HA 0.237 4.718 4.480 0.001 0.000 0.321 383 M C -0.230 176.017 176.300 -0.089 0.000 1.182 383 M CA -0.319 55.004 55.300 0.039 0.000 0.965 383 M CB 1.828 34.470 32.600 0.070 0.000 1.694 383 M HN -0.024 nan 8.290 nan 0.000 0.461 384 D N -0.024 120.279 120.400 -0.161 0.000 2.197 384 D HA 0.046 4.686 4.640 0.001 0.000 0.212 384 D C -0.828 174.972 176.300 -0.833 0.000 0.963 384 D CA 1.570 55.280 54.000 -0.482 0.000 0.864 384 D CB 0.348 40.893 40.800 -0.426 0.000 1.009 384 D HN 0.395 nan 8.370 nan 0.000 0.479 385 Y N -0.719 119.482 120.300 -0.166 0.000 2.534 385 Y HA 0.471 5.022 4.550 0.001 0.000 0.345 385 Y C -0.814 174.848 175.900 -0.397 0.000 1.031 385 Y CA -1.070 56.807 58.100 -0.372 0.000 1.022 385 Y CB 1.969 40.005 38.460 -0.706 0.000 1.292 385 Y HN -0.292 nan 8.280 nan 0.000 0.459 386 I N 3.314 123.757 120.570 -0.212 0.000 2.355 386 I HA 0.263 4.433 4.170 0.001 0.000 0.288 386 I C -1.186 174.736 176.117 -0.325 0.000 0.999 386 I CA -0.566 60.615 61.300 -0.200 0.000 1.163 386 I CB 0.817 38.742 38.000 -0.126 0.000 1.316 386 I HN 0.434 nan 8.210 nan 0.000 0.454 387 F N 5.531 125.403 119.950 -0.131 0.000 2.423 387 F HA 0.357 4.884 4.527 0.001 0.000 0.356 387 F C 0.967 176.710 175.800 -0.094 0.000 1.170 387 F CA -0.513 57.233 58.000 -0.423 0.000 1.163 387 F CB 0.566 38.984 39.000 -0.970 0.000 1.318 387 F HN 0.447 nan 8.300 nan 0.000 0.569 388 A N 5.789 128.787 122.820 0.297 0.000 2.395 388 A HA 0.335 4.656 4.320 0.001 0.000 0.286 388 A C 0.450 178.229 177.584 0.324 0.000 1.193 388 A CA -0.500 51.679 52.037 0.235 0.000 0.852 388 A CB -0.243 18.846 19.000 0.147 0.000 1.118 388 A HN 0.760 nan 8.150 nan 0.000 0.524 389 M N 3.944 123.617 119.600 0.122 0.000 3.254 389 M HA 0.039 4.520 4.480 0.001 0.000 0.257 389 M C 0.637 176.573 176.300 -0.607 0.000 1.490 389 M CA 0.190 55.282 55.300 -0.347 0.000 1.620 389 M CB -0.670 31.777 32.600 -0.254 0.000 1.157 389 M HN 0.736 nan 8.290 nan 0.000 0.541 390 T N -0.041 114.224 114.554 -0.483 0.000 3.843 390 T HA 0.318 4.669 4.350 0.001 0.000 0.227 390 T C -0.539 173.820 174.700 -0.568 0.000 1.043 390 T CA -0.336 61.664 62.100 -0.168 0.000 1.012 390 T CB -0.977 67.939 68.868 0.080 0.000 1.279 390 T HN 0.525 nan 8.240 nan 0.000 0.730 391 Y N -2.814 117.113 120.300 -0.622 0.000 2.840 391 Y HA 0.578 5.129 4.550 0.001 0.000 0.324 391 Y C -0.373 175.162 175.900 -0.609 0.000 1.378 391 Y CA -1.989 55.638 58.100 -0.790 0.000 1.077 391 Y CB 0.007 38.271 38.460 -0.327 0.000 1.361 391 Y HN 0.117 nan 8.280 nan 0.000 0.459 392 D N -0.170 120.238 120.400 0.014 0.000 2.800 392 D HA -0.182 4.459 4.640 0.001 0.000 0.232 392 D C 0.235 176.760 176.300 0.374 0.000 1.137 392 D CA 0.935 55.107 54.000 0.286 0.000 0.718 392 D CB -1.290 39.669 40.800 0.265 0.000 1.084 392 D HN 0.473 nan 8.370 nan 0.000 0.432 393 F N -0.682 119.495 119.950 0.378 0.000 2.293 393 F HA 0.076 4.603 4.527 0.001 0.000 0.297 393 F C 1.051 177.079 175.800 0.380 0.000 1.089 393 F CA 0.585 58.795 58.000 0.350 0.000 1.377 393 F CB -0.190 39.083 39.000 0.455 0.000 1.051 393 F HN 0.053 nan 8.300 nan 0.000 0.511 394 Y N -1.488 119.179 120.300 0.612 0.000 2.581 394 Y HA 0.654 5.204 4.550 0.000 0.000 0.345 394 Y C 0.453 176.251 175.900 -0.170 0.000 1.036 394 Y CA -1.148 57.176 58.100 0.374 0.000 1.042 394 Y CB 1.951 40.613 38.460 0.336 0.000 1.289 394 Y HN -0.081 nan 8.280 nan 0.000 0.471 395 G N -0.693 107.694 108.800 -0.688 0.000 2.430 395 G HA2 0.385 4.345 3.960 0.001 0.000 0.300 395 G HA3 0.385 4.345 3.960 0.001 0.000 0.300 395 G C 0.178 174.375 174.900 -1.172 0.000 1.330 395 G CA -0.198 44.090 45.100 -1.353 0.000 0.813 395 G HN 0.898 nan 8.290 nan 0.000 0.487 396 G N -0.707 107.525 108.800 -0.947 0.000 2.776 396 G HA2 0.107 4.067 3.960 0.001 0.000 0.209 396 G HA3 0.107 4.067 3.960 0.001 0.000 0.209 396 G C 1.256 176.079 174.900 -0.129 0.000 1.145 396 G CA 1.223 46.015 45.100 -0.513 0.000 0.791 396 G HN 0.787 nan 8.290 nan 0.000 0.530 397 W N 1.827 123.177 121.300 0.083 0.000 2.421 397 W HA 0.112 4.772 4.660 0.000 0.000 0.270 397 W C 0.610 177.217 176.519 0.147 0.000 1.233 397 W CA 0.334 57.737 57.345 0.097 0.000 1.226 397 W CB -0.552 28.954 29.460 0.078 0.000 1.121 397 W HN 0.285 nan 8.180 nan 0.000 0.579 398 N N -0.790 117.979 118.700 0.114 0.000 3.229 398 N HA 0.206 4.946 4.740 0.001 0.000 0.315 398 N C -0.264 175.365 175.510 0.199 0.000 1.520 398 N CA -0.846 52.314 53.050 0.183 0.000 0.769 398 N CB -0.068 38.557 38.487 0.230 0.000 1.766 398 N HN -0.175 nan 8.380 nan 0.000 0.618 399 N N -1.043 117.724 118.700 0.110 0.000 2.273 399 N HA 0.190 4.931 4.740 0.001 0.000 0.231 399 N C -0.914 174.444 175.510 -0.253 0.000 1.134 399 N CA 0.013 53.062 53.050 -0.003 0.000 0.856 399 N CB 0.430 38.920 38.487 0.005 0.000 1.068 399 N HN 0.331 nan 8.380 nan 0.000 0.510 400 V N 2.965 122.762 119.914 -0.194 0.000 2.348 400 V HA 0.299 4.420 4.120 0.001 0.000 0.270 400 V C -2.058 173.671 176.094 -0.608 0.000 1.037 400 V CA -1.663 60.473 62.300 -0.273 0.000 0.872 400 V CB 1.232 33.068 31.823 0.023 0.000 1.002 400 V HN -0.047 nan 8.190 nan 0.000 0.464 401 P HA 0.525 nan 4.420 nan 0.000 0.272 401 P C 0.238 176.794 177.300 -1.240 0.000 1.230 401 P CA 0.253 62.407 63.100 -1.578 0.000 0.788 401 P CB 0.916 31.819 31.700 -1.328 0.000 0.949 402 G N -0.271 107.794 108.800 -1.225 0.000 2.338 402 G HA2 0.219 4.180 3.960 0.001 0.000 0.295 402 G HA3 0.219 4.180 3.960 0.001 0.000 0.295 402 G C -1.937 172.490 174.900 -0.788 0.000 1.461 402 G CA -0.721 43.277 45.100 -1.837 0.000 0.817 402 G HN 0.534 nan 8.290 nan 0.000 0.556 403 H N 0.591 119.448 119.070 -0.355 0.000 2.819 403 H HA 0.261 4.817 4.556 0.001 0.000 0.303 403 H C 1.549 177.097 175.328 0.366 0.000 1.058 403 H CA 0.281 56.374 56.048 0.077 0.000 1.471 403 H CB 1.698 31.544 29.762 0.140 0.000 1.480 403 H HN 0.663 nan 8.280 nan 0.000 0.517 404 Q N 1.796 121.829 119.800 0.388 0.000 2.311 404 Q HA -0.067 4.273 4.340 0.001 0.000 0.203 404 Q C 1.034 177.020 176.000 -0.022 0.000 0.954 404 Q CA 1.549 57.540 55.803 0.312 0.000 0.885 404 Q CB 0.558 29.385 28.738 0.147 0.000 0.963 404 Q HN 0.560 nan 8.270 nan 0.000 0.471 405 T N -0.807 113.779 114.554 0.054 0.000 3.475 405 T HA 0.524 4.875 4.350 0.001 0.000 0.310 405 T C -0.286 174.492 174.700 0.130 0.000 0.963 405 T CA 0.065 62.082 62.100 -0.138 0.000 0.985 405 T CB 0.014 68.782 68.868 -0.167 0.000 1.198 405 T HN 0.447 nan 8.240 nan 0.000 0.508 406 A N 1.137 124.145 122.820 0.313 0.000 2.483 406 A HA 0.495 4.816 4.320 0.001 0.000 0.238 406 A C 1.403 179.020 177.584 0.054 0.000 1.070 406 A CA -0.203 51.904 52.037 0.117 0.000 0.770 406 A CB 0.047 19.130 19.000 0.139 0.000 1.008 406 A HN 0.451 nan 8.150 nan 0.000 0.497 407 L N 1.630 122.723 121.223 -0.216 0.000 2.044 407 L HA 0.087 4.427 4.340 0.001 0.000 0.205 407 L C 0.434 176.925 176.870 -0.632 0.000 1.075 407 L CA 1.785 56.275 54.840 -0.583 0.000 0.747 407 L CB -0.723 40.783 42.059 -0.921 0.000 0.903 407 L HN 0.719 nan 8.230 nan 0.000 0.435 408 Y N -3.191 117.062 120.300 -0.078 0.000 2.686 408 Y HA 0.387 4.937 4.550 0.001 0.000 0.330 408 Y C 0.434 176.316 175.900 -0.030 0.000 1.082 408 Y CA -1.495 56.568 58.100 -0.062 0.000 1.158 408 Y CB 0.490 38.917 38.460 -0.054 0.000 1.333 408 Y HN -0.338 nan 8.280 nan 0.000 0.519 409 c N 2.268 120.951 118.600 0.140 0.000 2.629 409 c HA 0.428 4.998 4.570 0.001 0.000 0.410 409 c C 1.112 175.203 174.090 0.002 0.000 1.339 409 c CA -0.632 55.701 56.329 0.007 0.000 1.810 409 c CB -1.106 41.354 42.510 -0.084 0.000 2.549 409 c HN 0.865 nan 8.230 nan 0.000 0.589 410 G N 1.910 110.705 108.800 -0.008 0.000 2.572 410 G HA2 0.316 4.276 3.960 0.001 0.000 0.261 410 G HA3 0.316 4.276 3.960 0.001 0.000 0.261 410 G C 1.033 175.888 174.900 -0.076 0.000 1.197 410 G CA 0.104 45.282 45.100 0.130 0.000 0.870 410 G HN 0.796 nan 8.290 nan 0.000 0.548 411 S N 0.073 115.825 115.700 0.087 0.000 2.419 411 S HA -0.197 4.273 4.470 0.001 0.000 0.235 411 S C 2.042 176.626 174.600 -0.027 0.000 1.019 411 S CA 2.099 60.315 58.200 0.027 0.000 0.982 411 S CB -0.529 62.725 63.200 0.090 0.000 0.789 411 S HN 0.737 nan 8.310 nan 0.000 0.490 412 F N 0.865 120.761 119.950 -0.090 0.000 2.451 412 F HA 0.322 4.850 4.527 0.001 0.000 0.299 412 F C 0.828 176.553 175.800 -0.125 0.000 1.101 412 F CA -0.206 57.700 58.000 -0.158 0.000 1.436 412 F CB -0.664 38.162 39.000 -0.290 0.000 1.074 412 F HN 0.088 nan 8.300 nan 0.000 0.553 413 M N 1.752 120.845 119.600 -0.845 0.000 2.243 413 M HA 0.190 4.671 4.480 0.001 0.000 0.341 413 M C 0.502 176.634 176.300 -0.281 0.000 1.130 413 M CA 0.159 55.065 55.300 -0.657 0.000 1.162 413 M CB 0.714 32.896 32.600 -0.696 0.000 1.497 413 M HN 0.061 nan 8.290 nan 0.000 0.456 414 R N 1.831 122.228 120.500 -0.172 0.000 2.637 414 R HA 0.273 4.613 4.340 0.001 0.000 0.269 414 R C -2.272 173.990 176.300 -0.063 0.000 1.089 414 R CA -1.523 54.547 56.100 -0.050 0.000 1.177 414 R CB -0.264 30.092 30.300 0.092 0.000 1.091 414 R HN 0.328 nan 8.270 nan 0.000 0.540 415 P HA -0.041 nan 4.420 nan 0.000 0.261 415 P C 0.351 177.649 177.300 -0.004 0.000 1.183 415 P CA 1.025 64.111 63.100 -0.023 0.000 0.761 415 P CB 0.427 32.123 31.700 -0.006 0.000 0.785 416 G N 2.797 111.568 108.800 -0.048 0.000 2.189 416 G HA2 -0.373 3.588 3.960 0.001 0.000 0.267 416 G HA3 -0.373 3.588 3.960 0.001 0.000 0.267 416 G C 1.086 175.910 174.900 -0.126 0.000 0.975 416 G CA 0.580 45.651 45.100 -0.047 0.000 0.644 416 G HN 0.576 nan 8.290 nan 0.000 0.537 417 Q N -0.637 119.000 119.800 -0.272 0.000 2.079 417 Q HA -0.103 4.237 4.340 0.001 0.000 0.200 417 Q C 2.753 178.440 176.000 -0.521 0.000 0.974 417 Q CA 2.000 57.356 55.803 -0.744 0.000 0.840 417 Q CB -0.467 27.803 28.738 -0.780 0.000 0.898 417 Q HN 0.787 nan 8.270 nan 0.000 0.430 418 c N 2.119 120.528 118.600 -0.319 0.000 2.388 418 c HA -0.179 4.392 4.570 0.001 0.000 0.277 418 c C 2.315 176.292 174.090 -0.188 0.000 1.210 418 c CA 1.774 57.968 56.329 -0.225 0.000 1.743 418 c CB -0.986 41.432 42.510 -0.154 0.000 2.047 418 c HN 0.812 nan 8.230 nan 0.000 0.458 419 D N -1.393 118.913 120.400 -0.157 0.000 2.323 419 D HA 0.130 4.771 4.640 0.001 0.000 0.209 419 D C 1.586 177.796 176.300 -0.150 0.000 0.973 419 D CA 1.297 55.223 54.000 -0.123 0.000 0.874 419 D CB -0.440 40.310 40.800 -0.084 0.000 0.930 419 D HN 0.735 nan 8.370 nan 0.000 0.521 420 G N 0.328 109.018 108.800 -0.184 0.000 2.175 420 G HA2 -0.235 3.725 3.960 0.001 0.000 0.244 420 G HA3 -0.235 3.725 3.960 0.001 0.000 0.244 420 G C 1.080 175.971 174.900 -0.015 0.000 0.982 420 G CA 0.252 45.264 45.100 -0.146 0.000 0.641 420 G HN 0.641 nan 8.290 nan 0.000 0.527 421 G N 0.177 108.965 108.800 -0.020 0.000 2.985 421 G HA2 0.503 4.463 3.960 0.001 0.000 0.209 421 G HA3 0.503 4.463 3.960 0.001 0.000 0.209 421 G C 1.010 175.939 174.900 0.049 0.000 1.165 421 G CA 1.172 46.275 45.100 0.004 0.000 0.776 421 G HN 1.123 nan 8.290 nan 0.000 0.541 422 G N -0.853 108.026 108.800 0.132 0.000 2.574 422 G HA2 0.486 4.446 3.960 0.001 0.000 0.248 422 G HA3 0.486 4.446 3.960 0.001 0.000 0.248 422 G C -1.147 173.855 174.900 0.171 0.000 1.422 422 G CA -0.340 44.863 45.100 0.172 0.000 1.051 422 G HN 0.173 nan 8.290 nan 0.000 0.560 423 V N 0.805 120.761 119.914 0.070 0.000 2.841 423 V HA 0.365 4.485 4.120 0.001 0.000 0.310 423 V C -0.638 175.251 176.094 -0.342 0.000 1.090 423 V CA -0.624 61.549 62.300 -0.212 0.000 0.930 423 V CB 1.991 33.749 31.823 -0.108 0.000 1.014 423 V HN 1.016 nan 8.190 nan 0.000 0.425 424 D N 2.306 122.331 120.400 -0.625 0.000 2.425 424 D HA 0.114 4.754 4.640 0.001 0.000 0.274 424 D C 1.093 177.301 176.300 -0.153 0.000 1.242 424 D CA -0.182 53.569 54.000 -0.415 0.000 1.060 424 D CB 0.501 41.011 40.800 -0.484 0.000 1.112 424 D HN 0.516 nan 8.370 nan 0.000 0.561 425 E N -0.925 119.227 120.200 -0.079 0.000 2.118 425 E HA -0.190 4.161 4.350 0.001 0.000 0.195 425 E C 1.029 177.596 176.600 -0.056 0.000 0.992 425 E CA 1.373 57.747 56.400 -0.044 0.000 0.804 425 E CB -0.180 29.508 29.700 -0.021 0.000 0.741 425 E HN 0.380 nan 8.360 nan 0.000 0.458 426 N N -0.803 117.853 118.700 -0.074 0.000 2.398 426 N HA 0.069 4.810 4.740 0.001 0.000 0.188 426 N C 0.786 176.252 175.510 -0.074 0.000 1.122 426 N CA 0.891 53.903 53.050 -0.064 0.000 0.866 426 N CB 0.984 39.437 38.487 -0.058 0.000 0.970 426 N HN 0.336 nan 8.380 nan 0.000 0.462 427 G N 0.840 109.583 108.800 -0.096 0.000 2.176 427 G HA2 -0.262 3.699 3.960 0.001 0.000 0.253 427 G HA3 -0.262 3.699 3.960 0.001 0.000 0.253 427 G C -0.154 174.674 174.900 -0.120 0.000 0.979 427 G CA -0.188 44.855 45.100 -0.094 0.000 0.641 427 G HN 0.397 nan 8.290 nan 0.000 0.530 428 E N 1.466 121.573 120.200 -0.154 0.000 2.313 428 E HA 0.368 4.719 4.350 0.001 0.000 0.276 428 E C -2.320 174.125 176.600 -0.258 0.000 1.031 428 E CA -1.799 54.502 56.400 -0.166 0.000 0.857 428 E CB 0.998 30.612 29.700 -0.143 0.000 1.040 428 E HN 0.167 nan 8.360 nan 0.000 0.408 429 P HA -0.049 nan 4.420 nan 0.000 0.269 429 P C -1.000 176.160 177.300 -0.234 0.000 1.209 429 P CA 0.253 63.242 63.100 -0.186 0.000 0.776 429 P CB 0.262 31.911 31.700 -0.085 0.000 0.876 430 Y N 1.001 121.256 120.300 -0.075 0.000 2.480 430 Y HA 0.037 4.587 4.550 0.001 0.000 0.338 430 Y C 1.866 177.689 175.900 -0.129 0.000 1.220 430 Y CA 0.465 58.504 58.100 -0.102 0.000 1.430 430 Y CB 0.483 38.866 38.460 -0.128 0.000 1.311 430 Y HN 0.347 nan 8.280 nan 0.000 0.575 431 K N 1.335 121.750 120.400 0.024 0.000 2.379 431 K HA 0.277 4.597 4.320 0.001 0.000 0.194 431 K C 0.498 176.884 176.600 -0.357 0.000 1.031 431 K CA 0.378 56.632 56.287 -0.054 0.000 1.037 431 K CB 0.548 33.100 32.500 0.087 0.000 0.824 431 K HN 0.854 nan 8.250 nan 0.000 0.516 432 G N 1.359 109.777 108.800 -0.638 0.000 2.506 432 G HA2 0.206 4.166 3.960 0.001 0.000 0.292 432 G HA3 0.206 4.166 3.960 0.001 0.000 0.292 432 G C -3.173 171.314 174.900 -0.688 0.000 1.425 432 G CA -1.097 43.293 45.100 -1.184 0.000 0.788 432 G HN -0.298 nan 8.290 nan 0.000 0.490 433 P HA 0.385 nan 4.420 nan 0.000 0.267 433 P C 0.452 177.639 177.300 -0.189 0.000 1.200 433 P CA 0.273 63.225 63.100 -0.246 0.000 0.772 433 P CB 0.752 32.378 31.700 -0.124 0.000 0.855 434 A N 2.967 125.660 122.820 -0.210 0.000 2.492 434 A HA 0.048 4.369 4.320 0.001 0.000 0.236 434 A C -0.217 177.338 177.584 -0.049 0.000 1.078 434 A CA 0.047 51.968 52.037 -0.193 0.000 0.773 434 A CB -0.640 18.241 19.000 -0.198 0.000 1.023 434 A HN 0.434 nan 8.150 nan 0.000 0.504 435 Y N 1.727 121.955 120.300 -0.120 0.000 2.620 435 Y HA 0.345 4.896 4.550 0.000 0.000 0.352 435 Y C 1.323 176.784 175.900 -0.732 0.000 1.140 435 Y CA 0.266 58.155 58.100 -0.352 0.000 1.529 435 Y CB -0.612 37.740 38.460 -0.180 0.000 1.321 435 Y HN 0.749 nan 8.280 nan 0.000 0.501 436 T N -2.317 111.826 114.554 -0.686 0.000 2.883 436 T HA 0.740 5.091 4.350 0.001 0.000 0.296 436 T C 0.938 175.291 174.700 -0.579 0.000 1.117 436 T CA -0.410 61.275 62.100 -0.692 0.000 1.006 436 T CB 1.666 70.422 68.868 -0.186 0.000 1.191 436 T HN 0.296 nan 8.240 nan 0.000 0.508 437 A N 0.663 123.392 122.820 -0.151 0.000 1.877 437 A HA -0.012 4.308 4.320 0.001 0.000 0.216 437 A C 1.909 179.436 177.584 -0.094 0.000 1.186 437 A CA 2.237 54.284 52.037 0.015 0.000 0.620 437 A CB -1.368 17.620 19.000 -0.019 0.000 0.822 437 A HN 1.002 nan 8.150 nan 0.000 0.443 438 D N -0.430 119.852 120.400 -0.197 0.000 2.117 438 D HA -0.154 4.486 4.640 0.001 0.000 0.197 438 D C 1.721 178.051 176.300 0.051 0.000 0.987 438 D CA 1.473 55.452 54.000 -0.035 0.000 0.829 438 D CB -0.159 40.653 40.800 0.019 0.000 0.961 438 D HN 0.336 nan 8.370 nan 0.000 0.460 439 N N -0.239 118.457 118.700 -0.006 0.000 2.104 439 N HA -0.095 4.646 4.740 0.001 0.000 0.190 439 N C 1.850 177.369 175.510 0.016 0.000 1.024 439 N CA 1.452 54.504 53.050 0.003 0.000 0.853 439 N CB -0.865 37.604 38.487 -0.030 0.000 1.008 439 N HN 0.351 nan 8.380 nan 0.000 0.424 440 G N 1.598 110.393 108.800 -0.009 0.000 2.433 440 G HA2 -0.154 3.806 3.960 0.001 0.000 0.216 440 G HA3 -0.154 3.806 3.960 0.001 0.000 0.216 440 G C 1.488 176.406 174.900 0.030 0.000 1.186 440 G CA 0.364 45.470 45.100 0.009 0.000 0.779 440 G HN 0.163 nan 8.290 nan 0.000 0.543 441 I N 0.882 121.490 120.570 0.063 0.000 2.163 441 I HA -0.147 4.023 4.170 0.001 0.000 0.243 441 I C 2.881 179.044 176.117 0.075 0.000 1.085 441 I CA 1.089 62.444 61.300 0.091 0.000 1.347 441 I CB -1.019 37.098 38.000 0.196 0.000 1.044 441 I HN 0.205 nan 8.210 nan 0.000 0.408 442 Q N 0.414 120.266 119.800 0.088 0.000 2.124 442 Q HA -0.117 4.223 4.340 0.001 0.000 0.202 442 Q C 2.453 178.481 176.000 0.047 0.000 0.977 442 Q CA 1.253 57.097 55.803 0.069 0.000 0.850 442 Q CB -0.538 28.245 28.738 0.076 0.000 0.901 442 Q HN 0.513 nan 8.270 nan 0.000 0.429 443 L N -0.082 121.168 121.223 0.045 0.000 2.046 443 L HA -0.180 4.160 4.340 0.001 0.000 0.208 443 L C 2.371 179.267 176.870 0.042 0.000 1.077 443 L CA 0.773 55.641 54.840 0.046 0.000 0.747 443 L CB -0.422 41.672 42.059 0.058 0.000 0.896 443 L HN 0.176 nan 8.230 nan 0.000 0.432 444 L N -0.779 120.459 121.223 0.024 0.000 2.027 444 L HA -0.225 4.115 4.340 0.001 0.000 0.206 444 L C 2.467 179.350 176.870 0.022 0.000 1.074 444 L CA 1.163 56.007 54.840 0.007 0.000 0.745 444 L CB -0.465 41.559 42.059 -0.058 0.000 0.898 444 L HN 0.226 nan 8.230 nan 0.000 0.433 445 L N -0.314 120.922 121.223 0.021 0.000 2.079 445 L HA -0.211 4.129 4.340 0.001 0.000 0.210 445 L C 2.817 179.701 176.870 0.023 0.000 1.081 445 L CA 1.125 55.976 54.840 0.019 0.000 0.752 445 L CB -0.764 41.305 42.059 0.017 0.000 0.896 445 L HN 0.262 nan 8.230 nan 0.000 0.433 446 A N -0.730 122.107 122.820 0.028 0.000 2.015 446 A HA -0.205 4.116 4.320 0.001 0.000 0.219 446 A C 2.199 179.801 177.584 0.030 0.000 1.163 446 A CA 1.210 53.263 52.037 0.027 0.000 0.646 446 A CB -0.336 18.681 19.000 0.028 0.000 0.806 446 A HN 0.486 nan 8.150 nan 0.000 0.448 447 Q N -1.863 117.962 119.800 0.042 0.000 2.297 447 Q HA 0.125 4.465 4.340 0.001 0.000 0.204 447 Q C 1.193 177.218 176.000 0.040 0.000 0.962 447 Q CA 0.668 56.501 55.803 0.050 0.000 0.879 447 Q CB 0.003 28.794 28.738 0.087 0.000 0.947 447 Q HN 0.909 nan 8.270 nan 0.000 0.462 448 G N 0.191 109.010 108.800 0.032 0.000 2.154 448 G HA2 -0.196 3.765 3.960 0.001 0.000 0.186 448 G HA3 -0.196 3.765 3.960 0.001 0.000 0.186 448 G C 0.012 174.924 174.900 0.021 0.000 1.000 448 G CA -0.162 44.951 45.100 0.021 0.000 0.664 448 G HN 0.156 nan 8.290 nan 0.000 0.513 449 V N 3.084 123.016 119.914 0.030 0.000 2.521 449 V HA 0.355 4.476 4.120 0.001 0.000 0.286 449 V C -0.982 175.114 176.094 0.003 0.000 1.034 449 V CA -0.810 61.503 62.300 0.022 0.000 1.045 449 V CB 0.956 32.790 31.823 0.020 0.000 0.974 449 V HN 0.298 nan 8.190 nan 0.000 0.480 450 P HA 0.161 nan 4.420 nan 0.000 0.271 450 P C 0.504 177.799 177.300 -0.009 0.000 1.216 450 P CA -0.153 62.940 63.100 -0.011 0.000 0.771 450 P CB 1.250 32.939 31.700 -0.019 0.000 0.864 451 A N 4.429 127.244 122.820 -0.008 0.000 1.940 451 A HA -0.241 4.080 4.320 0.001 0.000 0.219 451 A C 1.637 179.225 177.584 0.005 0.000 1.176 451 A CA 2.045 54.078 52.037 -0.008 0.000 0.631 451 A CB -1.358 17.629 19.000 -0.022 0.000 0.814 451 A HN 0.700 nan 8.150 nan 0.000 0.446 452 N N -0.624 118.081 118.700 0.008 0.000 2.571 452 N HA -0.048 4.693 4.740 0.001 0.000 0.189 452 N C 0.785 176.329 175.510 0.056 0.000 1.154 452 N CA 0.981 54.050 53.050 0.032 0.000 0.907 452 N CB -0.203 38.299 38.487 0.025 0.000 0.977 452 N HN 0.550 nan 8.380 nan 0.000 0.449 453 K N -0.317 120.098 120.400 0.026 0.000 2.374 453 K HA 0.276 4.597 4.320 0.001 0.000 0.202 453 K C -0.169 176.455 176.600 0.040 0.000 1.040 453 K CA -0.154 56.146 56.287 0.022 0.000 1.085 453 K CB 0.741 33.201 32.500 -0.066 0.000 0.873 453 K HN 0.155 nan 8.250 nan 0.000 0.539 454 L N 2.162 123.400 121.223 0.025 0.000 2.276 454 L HA 0.269 4.609 4.340 0.001 0.000 0.286 454 L C -0.441 176.448 176.870 0.032 0.000 1.061 454 L CA -0.809 54.036 54.840 0.008 0.000 0.807 454 L CB 1.514 43.582 42.059 0.015 0.000 1.177 454 L HN -0.244 nan 8.230 nan 0.000 0.429 455 V N 4.553 124.480 119.914 0.023 0.000 2.384 455 V HA 0.295 4.415 4.120 0.001 0.000 0.287 455 V C -0.075 176.245 176.094 0.377 0.000 1.020 455 V CA -0.651 61.733 62.300 0.140 0.000 0.850 455 V CB 1.837 33.686 31.823 0.044 0.000 0.987 455 V HN 0.434 nan 8.190 nan 0.000 0.436 456 L N 4.688 126.101 121.223 0.316 0.000 2.331 456 L HA 0.729 5.070 4.340 0.001 0.000 0.278 456 L C 0.786 177.750 176.870 0.156 0.000 1.106 456 L CA 0.563 55.555 54.840 0.254 0.000 0.824 456 L CB 0.987 43.153 42.059 0.178 0.000 1.142 456 L HN 0.752 nan 8.230 nan 0.000 0.443 457 G N 3.185 111.969 108.800 -0.027 0.000 2.353 457 G HA2 0.499 4.460 3.960 0.001 0.000 0.284 457 G HA3 0.499 4.460 3.960 0.001 0.000 0.284 457 G C -0.650 174.121 174.900 -0.214 0.000 1.172 457 G CA -0.277 44.496 45.100 -0.545 0.000 0.854 457 G HN 0.634 nan 8.290 nan 0.000 0.485 458 T N 0.806 115.226 114.554 -0.223 0.000 2.856 458 T HA 0.624 4.975 4.350 0.001 0.000 0.283 458 T C 0.203 174.868 174.700 -0.059 0.000 1.008 458 T CA -0.182 61.860 62.100 -0.097 0.000 0.997 458 T CB 1.844 70.649 68.868 -0.105 0.000 0.992 458 T HN 0.814 nan 8.240 nan 0.000 0.454 459 A N 2.966 125.722 122.820 -0.107 0.000 2.274 459 A HA 0.592 4.913 4.320 0.001 0.000 0.309 459 A C 0.571 178.073 177.584 -0.137 0.000 1.226 459 A CA -0.641 51.241 52.037 -0.259 0.000 0.853 459 A CB 0.105 18.766 19.000 -0.565 0.000 1.146 459 A HN 0.952 nan 8.150 nan 0.000 0.518 460 M N 2.444 122.063 119.600 0.032 0.000 2.637 460 M HA 0.236 4.716 4.480 0.001 0.000 0.286 460 M C -0.926 175.549 176.300 0.292 0.000 1.246 460 M CA 0.208 55.572 55.300 0.108 0.000 0.978 460 M CB -0.456 32.184 32.600 0.066 0.000 1.417 460 M HN 0.781 nan 8.290 nan 0.000 0.487 461 Y N -3.397 116.981 120.300 0.131 0.000 2.638 461 Y HA 0.860 5.410 4.550 0.001 0.000 0.335 461 Y C -0.536 175.468 175.900 0.172 0.000 1.155 461 Y CA -1.842 56.346 58.100 0.146 0.000 1.046 461 Y CB 0.403 38.933 38.460 0.117 0.000 1.303 461 Y HN -0.078 nan 8.280 nan 0.000 0.460 462 G N 1.458 110.375 108.800 0.195 0.000 2.454 462 G HA2 0.711 4.671 3.960 0.001 0.000 0.329 462 G HA3 0.711 4.671 3.960 0.001 0.000 0.329 462 G C -1.330 173.657 174.900 0.146 0.000 1.177 462 G CA -1.445 43.741 45.100 0.143 0.000 0.951 462 G HN 0.675 nan 8.290 nan 0.000 0.485 463 R N -0.623 119.892 120.500 0.025 0.000 2.732 463 R HA 0.727 5.068 4.340 0.001 0.000 0.278 463 R C -0.197 175.869 176.300 -0.389 0.000 0.976 463 R CA -0.572 55.424 56.100 -0.173 0.000 0.963 463 R CB 2.306 32.453 30.300 -0.254 0.000 1.150 463 R HN 0.708 nan 8.270 nan 0.000 0.478 464 G N 0.819 109.248 108.800 -0.619 0.000 2.704 464 G HA2 0.529 4.490 3.960 0.001 0.000 0.293 464 G HA3 0.529 4.490 3.960 0.001 0.000 0.293 464 G C -1.710 172.822 174.900 -0.612 0.000 1.421 464 G CA -0.565 44.241 45.100 -0.491 0.000 0.870 464 G HN 0.364 nan 8.290 nan 0.000 0.492 465 W N -0.010 121.299 121.300 0.015 0.000 2.929 465 W HA 0.572 5.231 4.660 -0.000 0.000 0.345 465 W C -0.067 176.480 176.519 0.046 0.000 1.151 465 W CA -0.635 56.709 57.345 -0.002 0.000 1.111 465 W CB 2.238 31.667 29.460 -0.053 0.000 1.449 465 W HN 0.821 nan 8.180 nan 0.000 0.572 466 E N -0.969 119.396 120.200 0.275 0.000 2.320 466 E HA 0.636 4.986 4.350 0.001 0.000 0.264 466 E C 0.547 177.236 176.600 0.148 0.000 0.923 466 E CA -0.552 55.961 56.400 0.188 0.000 0.796 466 E CB 2.001 31.774 29.700 0.122 0.000 1.262 466 E HN 0.564 nan 8.360 nan 0.000 0.428 467 G N 0.199 109.064 108.800 0.108 0.000 2.159 467 G HA2 -0.270 3.691 3.960 0.001 0.000 0.256 467 G HA3 -0.270 3.691 3.960 0.001 0.000 0.256 467 G C 0.232 175.167 174.900 0.058 0.000 0.977 467 G CA 0.119 45.261 45.100 0.069 0.000 0.652 467 G HN 0.453 nan 8.290 nan 0.000 0.531 468 V N 3.035 123.004 119.914 0.091 0.000 1.973 468 V HA 0.346 4.466 4.120 0.001 0.000 0.255 468 V C 1.334 177.570 176.094 0.235 0.000 1.605 468 V CA 0.504 62.832 62.300 0.046 0.000 1.542 468 V CB -0.804 30.960 31.823 -0.099 0.000 1.504 468 V HN 0.657 nan 8.190 nan 0.000 0.505 469 T N 1.322 115.967 114.554 0.150 0.000 2.904 469 T HA 0.299 4.650 4.350 0.001 0.000 0.290 469 T C -1.511 173.314 174.700 0.209 0.000 1.018 469 T CA -1.838 60.364 62.100 0.170 0.000 1.075 469 T CB 1.414 70.317 68.868 0.060 0.000 0.986 469 T HN 0.219 nan 8.240 nan 0.000 0.523 470 P HA -0.184 nan 4.420 nan 0.000 0.217 470 P C 1.408 178.769 177.300 0.102 0.000 1.148 470 P CA 1.294 64.540 63.100 0.244 0.000 0.834 470 P CB -0.050 31.739 31.700 0.149 0.000 0.783 471 D N -1.261 119.174 120.400 0.057 0.000 2.310 471 D HA -0.118 4.523 4.640 0.001 0.000 0.212 471 D C 1.324 177.624 176.300 0.000 0.000 0.965 471 D CA 1.689 55.702 54.000 0.022 0.000 0.879 471 D CB -1.003 39.804 40.800 0.012 0.000 0.921 471 D HN 0.251 nan 8.370 nan 0.000 0.510 472 T N -1.765 112.784 114.554 -0.008 0.000 3.081 472 T HA 0.115 4.466 4.350 0.001 0.000 0.255 472 T C 0.915 175.566 174.700 -0.083 0.000 1.113 472 T CA -0.431 61.640 62.100 -0.049 0.000 1.082 472 T CB -0.182 68.645 68.868 -0.068 0.000 0.939 472 T HN -0.092 nan 8.240 nan 0.000 0.506 473 L N 3.305 124.481 121.223 -0.077 0.000 2.380 473 L HA 0.348 4.688 4.340 0.001 0.000 0.273 473 L C 1.887 178.710 176.870 -0.078 0.000 1.138 473 L CA 0.301 55.069 54.840 -0.120 0.000 0.832 473 L CB 1.333 43.314 42.059 -0.131 0.000 1.124 473 L HN 0.384 nan 8.230 nan 0.000 0.454 474 T N -2.371 112.130 114.554 -0.088 0.000 2.976 474 T HA 0.028 4.379 4.350 0.001 0.000 0.257 474 T C 0.549 175.222 174.700 -0.045 0.000 1.051 474 T CA 0.179 62.246 62.100 -0.055 0.000 1.141 474 T CB -0.011 68.827 68.868 -0.050 0.000 0.881 474 T HN 0.433 nan 8.240 nan 0.000 0.461 475 D N 2.982 123.343 120.400 -0.064 0.000 2.392 475 D HA 0.297 4.937 4.640 0.001 0.000 0.228 475 D C -1.744 174.525 176.300 -0.052 0.000 1.074 475 D CA -2.793 51.181 54.000 -0.044 0.000 0.838 475 D CB 2.027 42.801 40.800 -0.042 0.000 1.067 475 D HN 0.010 nan 8.370 nan 0.000 0.511 476 P HA -0.071 nan 4.420 nan 0.000 0.228 476 P C 0.316 177.664 177.300 0.081 0.000 1.151 476 P CA 0.689 63.813 63.100 0.039 0.000 0.770 476 P CB 0.488 32.222 31.700 0.057 0.000 0.786 477 N N -0.560 118.173 118.700 0.056 0.000 2.205 477 N HA 0.020 4.760 4.740 0.001 0.000 0.201 477 N C -0.197 175.341 175.510 0.047 0.000 1.128 477 N CA 0.158 53.279 53.050 0.120 0.000 0.867 477 N CB 0.511 39.080 38.487 0.138 0.000 0.996 477 N HN 0.103 nan 8.380 nan 0.000 0.503 478 D N 1.104 121.421 120.400 -0.139 0.000 2.420 478 D HA 0.205 4.846 4.640 0.001 0.000 0.255 478 D C -1.836 174.075 176.300 -0.647 0.000 1.185 478 D CA -2.072 51.747 54.000 -0.302 0.000 0.904 478 D CB 1.905 42.626 40.800 -0.132 0.000 1.102 478 D HN -0.078 nan 8.370 nan 0.000 0.534 479 P HA -0.098 nan 4.420 nan 0.000 0.225 479 P C 1.354 178.022 177.300 -1.053 0.000 1.148 479 P CA 0.451 62.681 63.100 -1.451 0.000 0.779 479 P CB 0.168 30.493 31.700 -2.291 0.000 0.780 480 M N -0.231 118.791 119.600 -0.964 0.000 2.630 480 M HA -0.008 4.472 4.480 0.001 0.000 0.254 480 M C 1.456 177.333 176.300 -0.704 0.000 1.092 480 M CA 1.355 56.065 55.300 -0.984 0.000 1.087 480 M CB -1.723 30.168 32.600 -1.182 0.000 1.453 480 M HN 0.070 nan 8.290 nan 0.000 0.509 481 T N -2.867 111.398 114.554 -0.482 0.000 3.105 481 T HA 0.365 4.715 4.350 0.001 0.000 0.253 481 T C 0.928 175.451 174.700 -0.295 0.000 1.047 481 T CA 0.058 61.988 62.100 -0.284 0.000 0.944 481 T CB -0.063 68.702 68.868 -0.171 0.000 1.016 481 T HN 0.276 nan 8.240 nan 0.000 0.544 482 G N 0.454 109.007 108.800 -0.411 0.000 2.531 482 G HA2 0.583 4.544 3.960 0.001 0.000 0.281 482 G HA3 0.583 4.544 3.960 0.001 0.000 0.281 482 G C -1.009 173.694 174.900 -0.328 0.000 1.382 482 G CA -0.610 44.289 45.100 -0.335 0.000 1.045 482 G HN 0.320 nan 8.290 nan 0.000 0.533 483 T N -0.342 114.055 114.554 -0.262 0.000 2.916 483 T HA 0.632 4.983 4.350 0.001 0.000 0.298 483 T C -0.011 174.565 174.700 -0.207 0.000 1.031 483 T CA 0.004 61.959 62.100 -0.241 0.000 0.993 483 T CB 1.671 70.453 68.868 -0.143 0.000 1.045 483 T HN 0.866 nan 8.240 nan 0.000 0.454 484 A N 1.364 124.042 122.820 -0.237 0.000 2.264 484 A HA 0.664 4.984 4.320 0.001 0.000 0.304 484 A C 1.411 178.987 177.584 -0.013 0.000 1.100 484 A CA -0.212 51.760 52.037 -0.108 0.000 0.839 484 A CB 0.343 19.285 19.000 -0.096 0.000 1.121 484 A HN 0.947 nan 8.150 nan 0.000 0.496 485 T N -2.082 112.497 114.554 0.042 0.000 3.037 485 T HA 0.507 4.858 4.350 0.001 0.000 0.252 485 T C 0.810 175.556 174.700 0.077 0.000 1.073 485 T CA 0.811 62.940 62.100 0.048 0.000 1.091 485 T CB -0.031 68.861 68.868 0.040 0.000 0.935 485 T HN 1.902 nan 8.240 nan 0.000 0.488 486 G N 0.274 109.147 108.800 0.123 0.000 2.341 486 G HA2 0.445 4.405 3.960 0.001 0.000 0.299 486 G HA3 0.445 4.405 3.960 0.001 0.000 0.299 486 G C -1.895 173.104 174.900 0.165 0.000 1.274 486 G CA -1.177 44.001 45.100 0.130 0.000 0.853 486 G HN 0.232 nan 8.290 nan 0.000 0.493 487 K N -0.344 120.104 120.400 0.081 0.000 2.202 487 K HA 0.456 4.777 4.320 0.001 0.000 0.264 487 K C -0.007 176.596 176.600 0.006 0.000 1.010 487 K CA -0.552 55.730 56.287 -0.008 0.000 0.940 487 K CB 1.628 34.105 32.500 -0.037 0.000 0.983 487 K HN 0.373 nan 8.250 nan 0.000 0.475 488 L N 2.344 123.541 121.223 -0.044 0.000 2.540 488 L HA -0.009 4.332 4.340 0.001 0.000 0.276 488 L C -0.621 176.241 176.870 -0.012 0.000 1.212 488 L CA 0.959 55.800 54.840 0.001 0.000 0.893 488 L CB 0.098 42.143 42.059 -0.022 0.000 1.138 488 L HN 0.414 nan 8.230 nan 0.000 0.491 489 K N 2.886 123.288 120.400 0.004 0.000 2.221 489 K HA 0.954 5.275 4.320 0.001 0.000 0.243 489 K C -0.149 176.424 176.600 -0.044 0.000 0.968 489 K CA -0.098 56.177 56.287 -0.019 0.000 0.846 489 K CB 1.929 34.424 32.500 -0.007 0.000 1.141 489 K HN 0.854 nan 8.250 nan 0.000 0.434 490 G N -0.624 108.128 108.800 -0.080 0.000 2.323 490 G HA2 0.263 4.223 3.960 0.001 0.000 0.291 490 G HA3 0.263 4.223 3.960 0.001 0.000 0.291 490 G C -1.478 173.315 174.900 -0.177 0.000 1.278 490 G CA -0.567 44.455 45.100 -0.131 0.000 0.860 490 G HN 0.625 nan 8.290 nan 0.000 0.504 491 S N -1.538 114.012 115.700 -0.249 0.000 2.651 491 S HA 0.599 5.070 4.470 0.001 0.000 0.291 491 S C 1.527 175.868 174.600 -0.432 0.000 1.141 491 S CA 0.813 58.842 58.200 -0.285 0.000 1.027 491 S CB 1.517 64.562 63.200 -0.259 0.000 1.043 491 S HN 1.817 nan 8.310 nan 0.000 0.530 492 T N -1.126 113.123 114.554 -0.507 0.000 2.915 492 T HA -0.018 4.333 4.350 0.001 0.000 0.269 492 T C 1.952 176.231 174.700 -0.702 0.000 1.071 492 T CA 0.926 62.467 62.100 -0.932 0.000 1.132 492 T CB -0.904 67.353 68.868 -1.017 0.000 0.878 492 T HN 0.910 nan 8.240 nan 0.000 0.479 493 A N 1.763 124.340 122.820 -0.404 0.000 1.978 493 A HA -0.122 4.198 4.320 0.001 0.000 0.220 493 A C 2.282 179.671 177.584 -0.325 0.000 1.170 493 A CA 1.431 53.317 52.037 -0.253 0.000 0.636 493 A CB -0.651 18.236 19.000 -0.189 0.000 0.810 493 A HN 0.667 nan 8.150 nan 0.000 0.448 494 Q N -1.844 117.621 119.800 -0.559 0.000 2.320 494 Q HA 0.294 4.634 4.340 0.001 0.000 0.201 494 Q C 0.910 176.709 176.000 -0.335 0.000 0.910 494 Q CA 0.296 55.674 55.803 -0.709 0.000 0.946 494 Q CB 0.294 28.476 28.738 -0.926 0.000 1.062 494 Q HN 0.881 nan 8.270 nan 0.000 0.503 495 G N 0.608 109.183 108.800 -0.375 0.000 2.132 495 G HA2 -0.227 3.733 3.960 0.001 0.000 0.234 495 G HA3 -0.227 3.733 3.960 0.001 0.000 0.234 495 G C 0.048 174.710 174.900 -0.397 0.000 0.989 495 G CA -0.076 44.852 45.100 -0.285 0.000 0.676 495 G HN 0.224 nan 8.290 nan 0.000 0.522 496 V N 0.469 120.070 119.914 -0.522 0.000 2.304 496 V HA 0.395 4.515 4.120 0.001 0.000 0.262 496 V C 1.094 176.937 176.094 -0.420 0.000 1.061 496 V CA -0.115 61.987 62.300 -0.330 0.000 0.872 496 V CB 0.069 31.755 31.823 -0.228 0.000 1.077 496 V HN 0.435 nan 8.190 nan 0.000 0.480 497 W N 2.100 123.399 121.300 -0.002 0.000 2.942 497 W HA 0.302 4.962 4.660 0.001 0.000 0.263 497 W C 1.012 177.534 176.519 0.006 0.000 1.296 497 W CA -0.145 57.208 57.345 0.014 0.000 1.504 497 W CB 0.730 30.215 29.460 0.043 0.000 1.096 497 W HN 0.479 nan 8.180 nan 0.000 0.639 498 E N 0.516 120.811 120.200 0.159 0.000 2.352 498 E HA 0.090 4.440 4.350 0.001 0.000 0.280 498 E C -1.367 175.253 176.600 0.033 0.000 0.930 498 E CA -0.737 55.717 56.400 0.089 0.000 0.765 498 E CB 1.312 31.069 29.700 0.096 0.000 1.219 498 E HN -0.343 nan 8.360 nan 0.000 0.434 499 D N 1.561 121.968 120.400 0.012 0.000 2.525 499 D HA 0.232 4.872 4.640 0.001 0.000 0.235 499 D C 1.064 177.343 176.300 -0.034 0.000 1.137 499 D CA 2.237 56.229 54.000 -0.013 0.000 0.868 499 D CB 0.837 41.635 40.800 -0.003 0.000 1.180 499 D HN 0.793 nan 8.370 nan 0.000 0.465 500 G N 0.674 109.427 108.800 -0.078 0.000 2.176 500 G HA2 -0.202 3.759 3.960 0.001 0.000 0.253 500 G HA3 -0.202 3.759 3.960 0.001 0.000 0.253 500 G C 0.029 174.844 174.900 -0.141 0.000 0.979 500 G CA 0.309 45.305 45.100 -0.173 0.000 0.641 500 G HN 0.537 nan 8.290 nan 0.000 0.530 501 V N 0.816 120.707 119.914 -0.038 0.000 2.760 501 V HA 0.820 4.941 4.120 0.001 0.000 0.309 501 V C -0.171 175.966 176.094 0.071 0.000 1.077 501 V CA -0.646 61.682 62.300 0.047 0.000 0.910 501 V CB 2.328 34.195 31.823 0.074 0.000 1.008 501 V HN 0.550 nan 8.190 nan 0.000 0.424 502 I N 1.812 122.454 120.570 0.121 0.000 2.644 502 I HA 0.482 4.652 4.170 0.001 0.000 0.291 502 I C -0.972 175.245 176.117 0.167 0.000 1.180 502 I CA -0.441 60.909 61.300 0.085 0.000 1.040 502 I CB 2.125 40.109 38.000 -0.028 0.000 1.255 502 I HN 0.601 nan 8.210 nan 0.000 0.422 503 D N 5.674 126.191 120.400 0.194 0.000 2.472 503 D HA -0.081 4.559 4.640 0.001 0.000 0.237 503 D C 0.509 176.887 176.300 0.130 0.000 1.141 503 D CA 0.437 54.569 54.000 0.220 0.000 0.875 503 D CB 0.648 41.594 40.800 0.244 0.000 1.192 503 D HN 0.535 nan 8.370 nan 0.000 0.450 504 Y N 3.490 123.835 120.300 0.075 0.000 2.151 504 Y HA -0.325 4.226 4.550 0.001 0.000 0.284 504 Y C 2.152 178.044 175.900 -0.013 0.000 1.166 504 Y CA 2.263 60.364 58.100 0.001 0.000 1.163 504 Y CB 0.056 38.548 38.460 0.053 0.000 0.974 504 Y HN 0.461 nan 8.280 nan 0.000 0.511 505 K N -0.706 119.651 120.400 -0.073 0.000 2.209 505 K HA -0.074 4.246 4.320 0.001 0.000 0.204 505 K C 2.250 178.766 176.600 -0.140 0.000 1.048 505 K CA 1.486 57.692 56.287 -0.136 0.000 0.940 505 K CB -0.976 31.563 32.500 0.064 0.000 0.729 505 K HN 0.380 nan 8.250 nan 0.000 0.451 506 G N 2.066 110.839 108.800 -0.046 0.000 2.404 506 G HA2 -0.153 3.807 3.960 0.001 0.000 0.215 506 G HA3 -0.153 3.807 3.960 0.001 0.000 0.215 506 G C 1.559 176.431 174.900 -0.048 0.000 1.174 506 G CA 0.863 45.999 45.100 0.060 0.000 0.780 506 G HN 0.242 nan 8.290 nan 0.000 0.537 507 I N 0.623 121.029 120.570 -0.274 0.000 2.163 507 I HA -0.185 3.986 4.170 0.001 0.000 0.243 507 I C 2.657 178.512 176.117 -0.437 0.000 1.085 507 I CA 1.612 62.651 61.300 -0.435 0.000 1.347 507 I CB -0.173 37.401 38.000 -0.710 0.000 1.044 507 I HN 0.118 nan 8.210 nan 0.000 0.408 508 K N 1.264 121.318 120.400 -0.577 0.000 2.026 508 K HA -0.123 4.197 4.320 0.001 0.000 0.208 508 K C 2.140 178.554 176.600 -0.310 0.000 1.048 508 K CA 2.012 58.027 56.287 -0.454 0.000 0.929 508 K CB -0.367 31.803 32.500 -0.551 0.000 0.713 508 K HN 0.104 nan 8.250 nan 0.000 0.439 509 S N -0.788 114.718 115.700 -0.322 0.000 2.402 509 S HA 0.023 4.493 4.470 0.001 0.000 0.229 509 S C 1.172 175.360 174.600 -0.688 0.000 1.021 509 S CA 1.141 59.034 58.200 -0.511 0.000 0.974 509 S CB -0.192 62.627 63.200 -0.636 0.000 0.800 509 S HN 0.328 nan 8.310 nan 0.000 0.484 510 F N -1.167 118.675 119.950 -0.181 0.000 2.784 510 F HA 0.441 4.969 4.527 0.002 0.000 0.323 510 F C 1.433 177.108 175.800 -0.209 0.000 1.085 510 F CA -0.058 57.846 58.000 -0.160 0.000 1.196 510 F CB 0.234 39.139 39.000 -0.158 0.000 1.053 510 F HN 0.071 nan 8.300 nan 0.000 0.578 511 M N -1.267 118.235 119.600 -0.163 0.000 2.532 511 M HA 0.244 4.725 4.480 0.001 0.000 0.244 511 M C 1.531 177.785 176.300 -0.077 0.000 1.390 511 M CA 0.863 55.987 55.300 -0.292 0.000 1.132 511 M CB 0.030 32.220 32.600 -0.684 0.000 1.466 511 M HN -0.046 nan 8.290 nan 0.000 0.550 512 L N -0.607 120.555 121.223 -0.102 0.000 2.145 512 L HA 0.403 4.743 4.340 0.001 0.000 0.201 512 L C 1.188 178.032 176.870 -0.044 0.000 1.075 512 L CA 0.599 55.420 54.840 -0.033 0.000 0.773 512 L CB -0.538 41.483 42.059 -0.063 0.000 0.936 512 L HN 0.490 nan 8.230 nan 0.000 0.451 513 G N -0.710 108.034 108.800 -0.093 0.000 2.741 513 G HA2 -0.261 3.700 3.960 0.001 0.000 0.222 513 G HA3 -0.261 3.700 3.960 0.001 0.000 0.222 513 G C 0.710 175.559 174.900 -0.084 0.000 1.364 513 G CA 0.011 45.058 45.100 -0.090 0.000 0.866 513 G HN 0.347 nan 8.290 nan 0.000 0.555 514 A N -0.532 122.245 122.820 -0.072 0.000 1.884 514 A HA -0.082 4.238 4.320 0.001 0.000 0.219 514 A C 1.612 179.158 177.584 -0.064 0.000 1.197 514 A CA 2.520 54.519 52.037 -0.064 0.000 0.637 514 A CB -0.229 18.740 19.000 -0.053 0.000 0.827 514 A HN 1.057 nan 8.150 nan 0.000 0.450 515 N N -0.255 118.406 118.700 -0.066 0.000 2.696 515 N HA 0.132 4.873 4.740 0.001 0.000 0.308 515 N C -0.700 174.740 175.510 -0.116 0.000 1.915 515 N CA -0.171 52.829 53.050 -0.083 0.000 0.906 515 N CB 0.361 38.807 38.487 -0.067 0.000 1.284 515 N HN 0.327 nan 8.380 nan 0.000 0.488 516 N N -0.574 118.038 118.700 -0.146 0.000 2.681 516 N HA -0.170 4.571 4.740 0.001 0.000 0.250 516 N C 0.834 176.274 175.510 -0.117 0.000 1.133 516 N CA 1.309 54.209 53.050 -0.249 0.000 0.732 516 N CB -1.230 36.907 38.487 -0.583 0.000 1.107 516 N HN 0.355 nan 8.380 nan 0.000 0.559 517 T N -0.792 113.742 114.554 -0.033 0.000 2.867 517 T HA 0.174 4.524 4.350 0.001 0.000 0.268 517 T C 1.165 175.924 174.700 0.098 0.000 1.057 517 T CA 1.234 63.352 62.100 0.030 0.000 1.136 517 T CB -0.218 68.661 68.868 0.018 0.000 0.874 517 T HN 0.851 nan 8.240 nan 0.000 0.466 518 G N 1.534 110.398 108.800 0.107 0.000 3.039 518 G HA2 0.013 3.973 3.960 0.001 0.000 0.686 518 G HA3 0.013 3.973 3.960 0.001 0.000 0.686 518 G C -0.671 174.314 174.900 0.141 0.000 1.066 518 G CA -0.474 44.733 45.100 0.178 0.000 0.774 518 G HN 0.767 nan 8.290 nan 0.000 0.591 519 I N -1.339 119.328 120.570 0.162 0.000 3.145 519 I HA 0.797 4.968 4.170 0.001 0.000 0.313 519 I C 0.537 176.794 176.117 0.233 0.000 1.122 519 I CA -1.233 60.149 61.300 0.136 0.000 0.987 519 I CB 2.138 40.175 38.000 0.062 0.000 1.236 519 I HN 0.537 nan 8.210 nan 0.000 0.453 520 N N 2.314 121.120 118.700 0.177 0.000 2.735 520 N HA -0.202 4.538 4.740 0.001 0.000 0.248 520 N C 0.851 176.483 175.510 0.202 0.000 1.083 520 N CA 1.464 54.637 53.050 0.205 0.000 0.703 520 N CB -1.309 37.335 38.487 0.262 0.000 1.005 520 N HN 1.483 nan 8.380 nan 0.000 0.550 521 G N -2.157 106.701 108.800 0.097 0.000 2.195 521 G HA2 -0.321 3.639 3.960 0.001 0.000 0.246 521 G HA3 -0.321 3.639 3.960 0.001 0.000 0.246 521 G C -0.011 174.796 174.900 -0.155 0.000 0.984 521 G CA 0.225 45.283 45.100 -0.070 0.000 0.633 521 G HN 0.356 nan 8.290 nan 0.000 0.525 522 F N 2.104 122.083 119.950 0.049 0.000 2.385 522 F HA 0.563 5.090 4.527 0.001 0.000 0.336 522 F C 0.833 176.717 175.800 0.141 0.000 1.100 522 F CA -0.232 57.831 58.000 0.106 0.000 1.116 522 F CB 1.079 40.170 39.000 0.152 0.000 1.166 522 F HN 0.347 nan 8.300 nan 0.000 0.511 523 E N 2.224 122.654 120.200 0.383 0.000 2.227 523 E HA 0.321 4.672 4.350 0.001 0.000 0.268 523 E C -1.827 175.063 176.600 0.483 0.000 0.907 523 E CA -0.923 55.698 56.400 0.368 0.000 0.786 523 E CB 1.937 31.816 29.700 0.299 0.000 1.191 523 E HN 0.647 nan 8.360 nan 0.000 0.411 524 Y N 1.389 121.816 120.300 0.211 0.000 2.310 524 Y HA 0.570 5.120 4.550 0.001 0.000 0.326 524 Y C -0.187 175.561 175.900 -0.253 0.000 1.151 524 Y CA 0.064 58.209 58.100 0.076 0.000 1.195 524 Y CB 1.565 40.069 38.460 0.073 0.000 1.210 524 Y HN 0.727 nan 8.280 nan 0.000 0.483 525 G N 3.851 111.672 108.800 -1.632 0.000 2.660 525 G HA2 0.453 4.414 3.960 0.001 0.000 0.294 525 G HA3 0.453 4.414 3.960 0.001 0.000 0.294 525 G C -2.693 171.031 174.900 -1.960 0.000 1.369 525 G CA -0.738 43.075 45.100 -2.146 0.000 0.912 525 G HN 0.611 nan 8.290 nan 0.000 0.479 526 Y N 0.528 120.136 120.300 -1.153 0.000 2.433 526 Y HA 0.456 5.006 4.550 0.001 0.000 0.337 526 Y C -1.350 174.403 175.900 -0.245 0.000 1.026 526 Y CA -0.933 56.776 58.100 -0.651 0.000 1.037 526 Y CB 2.579 40.814 38.460 -0.375 0.000 1.245 526 Y HN 0.494 nan 8.280 nan 0.000 0.443 527 D N 4.456 124.579 120.400 -0.462 0.000 2.428 527 D HA 0.340 4.980 4.640 0.001 0.000 0.221 527 D C 0.544 176.731 176.300 -0.189 0.000 1.123 527 D CA 0.377 54.279 54.000 -0.163 0.000 0.869 527 D CB 1.553 42.305 40.800 -0.079 0.000 1.032 527 D HN 0.781 nan 8.370 nan 0.000 0.506 528 A N 3.858 126.747 122.820 0.114 0.000 2.015 528 A HA -0.183 4.137 4.320 0.001 0.000 0.219 528 A C 1.907 179.566 177.584 0.124 0.000 1.163 528 A CA 1.240 53.412 52.037 0.225 0.000 0.646 528 A CB -0.318 18.800 19.000 0.196 0.000 0.806 528 A HN 0.675 nan 8.150 nan 0.000 0.448 529 Q N -0.531 119.310 119.800 0.067 0.000 2.046 529 Q HA -0.079 4.262 4.340 0.001 0.000 0.200 529 Q C 2.090 178.145 176.000 0.091 0.000 0.975 529 Q CA 1.519 57.352 55.803 0.050 0.000 0.836 529 Q CB -0.284 28.472 28.738 0.031 0.000 0.896 529 Q HN 0.585 nan 8.270 nan 0.000 0.428 530 A N 0.099 122.934 122.820 0.024 0.000 2.021 530 A HA -0.041 4.280 4.320 0.001 0.000 0.216 530 A C 0.079 177.624 177.584 -0.067 0.000 1.163 530 A CA 0.653 52.686 52.037 -0.006 0.000 0.676 530 A CB 0.149 19.045 19.000 -0.173 0.000 0.818 530 A HN 0.499 nan 8.150 nan 0.000 0.453 531 E N -1.548 118.580 120.200 -0.120 0.000 2.313 531 E HA -0.173 4.177 4.350 0.001 0.000 0.190 531 E C -0.245 176.095 176.600 -0.433 0.000 1.406 531 E CA 0.868 57.193 56.400 -0.126 0.000 0.668 531 E CB -2.149 27.585 29.700 0.058 0.000 1.135 531 E HN 1.136 nan 8.360 nan 0.000 0.375 532 A N 1.321 123.532 122.820 -1.015 0.000 2.465 532 A HA 0.693 5.014 4.320 0.001 0.000 0.292 532 A C -2.726 174.217 177.584 -1.068 0.000 1.041 532 A CA -1.158 50.356 52.037 -0.871 0.000 0.718 532 A CB 2.133 20.632 19.000 -0.835 0.000 1.266 532 A HN 0.007 nan 8.150 nan 0.000 0.403 533 P HA 0.676 nan 4.420 nan 0.000 0.283 533 P C -0.840 176.183 177.300 -0.461 0.000 1.271 533 P CA -0.324 62.410 63.100 -0.611 0.000 0.841 533 P CB 0.950 32.426 31.700 -0.374 0.000 1.122 534 W N -0.058 121.093 121.300 -0.248 0.000 3.074 534 W HA 0.558 5.219 4.660 0.001 0.000 0.332 534 W C -1.844 174.906 176.519 0.386 0.000 1.253 534 W CA -1.303 56.118 57.345 0.126 0.000 1.180 534 W CB 0.919 30.437 29.460 0.096 0.000 1.445 534 W HN 0.222 nan 8.180 nan 0.000 0.573 535 V N -0.847 119.648 119.914 0.968 0.000 2.680 535 V HA 0.805 4.926 4.120 0.001 0.000 0.309 535 V C -1.848 174.853 176.094 1.012 0.000 1.052 535 V CA -0.497 62.328 62.300 0.875 0.000 0.908 535 V CB 2.307 34.467 31.823 0.562 0.000 1.001 535 V HN 0.702 nan 8.190 nan 0.000 0.431 536 W N 4.233 125.981 121.300 0.747 0.000 3.042 536 W HA 0.571 5.231 4.660 0.000 0.000 0.337 536 W C -1.186 175.425 176.519 0.154 0.000 1.086 536 W CA -1.013 56.581 57.345 0.415 0.000 1.236 536 W CB 1.830 31.412 29.460 0.204 0.000 1.381 536 W HN 0.778 nan 8.180 nan 0.000 0.472 537 N N 5.300 123.776 118.700 -0.373 0.000 2.485 537 N HA 0.229 4.969 4.740 0.001 0.000 0.243 537 N C 0.973 175.983 175.510 -0.833 0.000 0.987 537 N CA -0.046 52.507 53.050 -0.828 0.000 0.940 537 N CB 0.922 38.599 38.487 -1.350 0.000 1.122 537 N HN 0.687 nan 8.380 nan 0.000 0.509 538 R N 0.924 120.836 120.500 -0.980 0.000 2.096 538 R HA -0.128 4.212 4.340 0.001 0.000 0.235 538 R C 1.961 177.994 176.300 -0.444 0.000 1.127 538 R CA 1.884 57.415 56.100 -0.947 0.000 0.968 538 R CB 0.041 29.841 30.300 -0.834 0.000 0.861 538 R HN 0.661 nan 8.270 nan 0.000 0.440 539 S N -0.144 115.346 115.700 -0.350 0.000 2.371 539 S HA -0.125 4.345 4.470 0.001 0.000 0.224 539 S C 2.081 176.585 174.600 -0.160 0.000 1.029 539 S CA 1.500 59.574 58.200 -0.210 0.000 0.978 539 S CB -0.417 62.677 63.200 -0.177 0.000 0.833 539 S HN 0.435 nan 8.310 nan 0.000 0.466 540 T N -2.975 111.465 114.554 -0.190 0.000 3.057 540 T HA 0.467 4.818 4.350 0.001 0.000 0.254 540 T C 1.694 176.371 174.700 -0.039 0.000 1.094 540 T CA 0.737 62.774 62.100 -0.106 0.000 1.088 540 T CB -0.378 68.423 68.868 -0.112 0.000 0.934 540 T HN 1.284 nan 8.240 nan 0.000 0.497 541 G N 1.466 110.240 108.800 -0.044 0.000 2.148 541 G HA2 -0.253 3.707 3.960 0.001 0.000 0.254 541 G HA3 -0.253 3.707 3.960 0.001 0.000 0.254 541 G C -0.242 174.800 174.900 0.237 0.000 0.981 541 G CA 0.117 45.306 45.100 0.147 0.000 0.670 541 G HN 0.668 nan 8.290 nan 0.000 0.528 542 E N -0.464 119.825 120.200 0.148 0.000 2.366 542 E HA 0.467 4.818 4.350 0.001 0.000 0.266 542 E C -0.140 176.761 176.600 0.502 0.000 1.015 542 E CA -0.181 56.389 56.400 0.284 0.000 0.906 542 E CB 1.095 30.960 29.700 0.276 0.000 0.979 542 E HN 0.316 nan 8.360 nan 0.000 0.443 543 L N 5.054 126.572 121.223 0.493 0.000 2.438 543 L HA 0.503 4.844 4.340 0.001 0.000 0.270 543 L C -1.631 175.518 176.870 0.466 0.000 0.972 543 L CA -0.307 54.827 54.840 0.491 0.000 0.831 543 L CB 1.381 43.583 42.059 0.239 0.000 1.273 543 L HN 0.463 nan 8.230 nan 0.000 0.405 544 I N 3.449 124.299 120.570 0.468 0.000 2.466 544 I HA 0.429 4.599 4.170 0.001 0.000 0.289 544 I C -0.318 176.126 176.117 0.544 0.000 1.026 544 I CA -0.513 61.014 61.300 0.377 0.000 1.078 544 I CB 2.239 40.384 38.000 0.240 0.000 1.249 544 I HN 0.606 nan 8.210 nan 0.000 0.429 545 T N 6.459 121.265 114.554 0.420 0.000 2.794 545 T HA 0.789 5.139 4.350 0.001 0.000 0.280 545 T C -0.766 174.168 174.700 0.389 0.000 0.987 545 T CA -0.248 62.091 62.100 0.397 0.000 0.993 545 T CB 0.507 69.555 68.868 0.299 0.000 0.939 545 T HN 0.451 nan 8.240 nan 0.000 0.449 546 F N 1.227 121.241 119.950 0.107 0.000 2.985 546 F HA 0.728 5.256 4.527 0.001 0.000 0.322 546 F C -1.450 174.367 175.800 0.028 0.000 1.187 546 F CA -1.413 56.604 58.000 0.028 0.000 0.910 546 F CB 0.453 39.521 39.000 0.113 0.000 1.411 546 F HN 0.259 nan 8.300 nan 0.000 0.492 547 D N 1.127 121.579 120.400 0.086 0.000 2.168 547 D HA 0.390 5.030 4.640 0.001 0.000 0.246 547 D C -1.103 175.272 176.300 0.125 0.000 1.050 547 D CA 0.180 54.161 54.000 -0.031 0.000 0.857 547 D CB 1.722 42.482 40.800 -0.067 0.000 1.169 547 D HN 0.693 nan 8.370 nan 0.000 0.453 548 D N -0.598 119.840 120.400 0.063 0.000 2.727 548 D HA 0.081 4.721 4.640 0.001 0.000 0.264 548 D C 1.042 177.405 176.300 0.104 0.000 1.101 548 D CA -0.458 53.666 54.000 0.207 0.000 1.122 548 D CB 0.275 41.327 40.800 0.421 0.000 1.390 548 D HN 0.349 nan 8.370 nan 0.000 0.606 549 H N -0.285 118.820 119.070 0.059 0.000 2.319 549 H HA -0.115 4.441 4.556 0.001 0.000 0.297 549 H C 2.174 177.507 175.328 0.008 0.000 1.097 549 H CA 2.828 58.886 56.048 0.015 0.000 1.285 549 H CB 0.256 30.030 29.762 0.020 0.000 1.368 549 H HN 0.365 nan 8.280 nan 0.000 0.495 550 R N -0.037 120.518 120.500 0.091 0.000 2.073 550 R HA -0.145 4.195 4.340 0.001 0.000 0.234 550 R C 2.608 178.924 176.300 0.026 0.000 1.134 550 R CA 1.850 57.934 56.100 -0.026 0.000 0.952 550 R CB -0.318 29.824 30.300 -0.263 0.000 0.850 550 R HN 0.535 nan 8.270 nan 0.000 0.433 551 S N -0.527 115.269 115.700 0.160 0.000 2.383 551 S HA -0.071 4.399 4.470 0.001 0.000 0.227 551 S C 2.013 176.607 174.600 -0.009 0.000 1.026 551 S CA 1.254 59.532 58.200 0.130 0.000 0.981 551 S CB -0.310 62.927 63.200 0.062 0.000 0.818 551 S HN 0.172 nan 8.310 nan 0.000 0.472 552 V N 2.045 121.921 119.914 -0.063 0.000 2.453 552 V HA -0.027 4.093 4.120 0.001 0.000 0.247 552 V C 2.551 178.569 176.094 -0.126 0.000 1.048 552 V CA 1.359 63.594 62.300 -0.109 0.000 1.049 552 V CB -0.887 30.852 31.823 -0.140 0.000 0.672 552 V HN 0.442 nan 8.190 nan 0.000 0.457 553 L N 0.254 121.370 121.223 -0.178 0.000 2.042 553 L HA -0.226 4.115 4.340 0.001 0.000 0.210 553 L C 2.747 179.591 176.870 -0.043 0.000 1.076 553 L CA 1.806 56.559 54.840 -0.145 0.000 0.749 553 L CB -0.738 41.218 42.059 -0.172 0.000 0.893 553 L HN 0.396 nan 8.230 nan 0.000 0.432 554 A N -0.201 122.613 122.820 -0.009 0.000 1.902 554 A HA -0.215 4.105 4.320 0.001 0.000 0.217 554 A C 2.305 179.912 177.584 0.039 0.000 1.181 554 A CA 1.605 53.667 52.037 0.042 0.000 0.623 554 A CB -0.319 18.724 19.000 0.072 0.000 0.818 554 A HN 0.318 nan 8.150 nan 0.000 0.443 555 K N -0.819 119.572 120.400 -0.016 0.000 2.057 555 K HA -0.100 4.221 4.320 0.001 0.000 0.207 555 K C 2.163 178.810 176.600 0.079 0.000 1.049 555 K CA 1.108 57.392 56.287 -0.006 0.000 0.931 555 K CB -0.447 32.020 32.500 -0.054 0.000 0.714 555 K HN 0.469 nan 8.250 nan 0.000 0.440 556 G N 1.710 110.522 108.800 0.020 0.000 2.421 556 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 556 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 556 G C 1.303 176.230 174.900 0.045 0.000 1.171 556 G CA 0.775 45.883 45.100 0.012 0.000 0.775 556 G HN 0.203 nan 8.290 nan 0.000 0.543 557 N N -0.234 118.500 118.700 0.058 0.000 2.166 557 N HA -0.130 4.611 4.740 0.001 0.000 0.186 557 N C 1.790 177.368 175.510 0.112 0.000 1.019 557 N CA 1.153 54.247 53.050 0.073 0.000 0.856 557 N CB -0.558 37.974 38.487 0.075 0.000 0.993 557 N HN 0.523 nan 8.380 nan 0.000 0.426 558 Y N 1.412 121.723 120.300 0.018 0.000 2.145 558 Y HA -0.105 4.446 4.550 0.001 0.000 0.286 558 Y C 2.288 178.199 175.900 0.018 0.000 1.145 558 Y CA 1.762 59.879 58.100 0.028 0.000 1.148 558 Y CB -0.412 38.048 38.460 -0.001 0.000 0.981 558 Y HN 0.070 nan 8.280 nan 0.000 0.507 559 A N 1.383 124.268 122.820 0.108 0.000 1.902 559 A HA -0.234 4.086 4.320 0.001 0.000 0.217 559 A C 2.215 179.770 177.584 -0.048 0.000 1.181 559 A CA 2.243 54.289 52.037 0.014 0.000 0.623 559 A CB -0.737 18.310 19.000 0.077 0.000 0.818 559 A HN 0.671 nan 8.150 nan 0.000 0.443 560 K N -0.834 119.554 120.400 -0.021 0.000 2.155 560 K HA -0.034 4.286 4.320 0.001 0.000 0.203 560 K C 2.120 178.693 176.600 -0.044 0.000 1.052 560 K CA 1.513 57.787 56.287 -0.023 0.000 0.948 560 K CB -0.448 32.050 32.500 -0.003 0.000 0.728 560 K HN 0.283 nan 8.250 nan 0.000 0.448 561 S N 1.248 116.910 115.700 -0.063 0.000 2.368 561 S HA -0.033 4.437 4.470 0.001 0.000 0.225 561 S C 1.833 176.361 174.600 -0.120 0.000 1.030 561 S CA 0.730 58.884 58.200 -0.077 0.000 0.999 561 S CB -0.213 62.948 63.200 -0.065 0.000 0.844 561 S HN 0.392 nan 8.310 nan 0.000 0.459 562 L N 0.431 121.530 121.223 -0.207 0.000 2.509 562 L HA 0.238 4.578 4.340 0.001 0.000 0.222 562 L C 1.619 178.423 176.870 -0.110 0.000 1.123 562 L CA 0.498 55.218 54.840 -0.201 0.000 0.856 562 L CB -0.603 41.247 42.059 -0.349 0.000 0.985 562 L HN 0.599 nan 8.230 nan 0.000 0.456 563 G N 1.158 109.910 108.800 -0.080 0.000 2.198 563 G HA2 -0.264 3.696 3.960 0.001 0.000 0.257 563 G HA3 -0.264 3.696 3.960 0.001 0.000 0.257 563 G C 0.238 175.124 174.900 -0.024 0.000 1.042 563 G CA -0.111 44.966 45.100 -0.038 0.000 0.791 563 G HN 0.226 nan 8.290 nan 0.000 0.502 564 L N -0.870 120.335 121.223 -0.030 0.000 2.476 564 L HA 0.397 4.738 4.340 0.001 0.000 0.264 564 L C 2.194 179.079 176.870 0.025 0.000 1.224 564 L CA 0.094 54.935 54.840 0.003 0.000 0.821 564 L CB 0.187 42.257 42.059 0.019 0.000 1.101 564 L HN 0.249 nan 8.230 nan 0.000 0.488 565 A N 1.056 123.902 122.820 0.044 0.000 1.969 565 A HA 0.278 4.598 4.320 0.001 0.000 0.218 565 A C 1.032 178.618 177.584 0.003 0.000 1.169 565 A CA 1.520 53.590 52.037 0.056 0.000 0.635 565 A CB -0.415 18.652 19.000 0.111 0.000 0.810 565 A HN 1.037 nan 8.150 nan 0.000 0.445 566 G N -2.550 106.256 108.800 0.010 0.000 2.403 566 G HA2 0.354 4.314 3.960 0.001 0.000 0.223 566 G HA3 0.354 4.314 3.960 0.001 0.000 0.223 566 G C -1.335 173.605 174.900 0.068 0.000 1.287 566 G CA -0.439 44.668 45.100 0.011 0.000 0.982 566 G HN 0.501 nan 8.290 nan 0.000 0.471 567 L N 0.304 121.572 121.223 0.076 0.000 2.354 567 L HA 0.886 5.226 4.340 0.001 0.000 0.264 567 L C -0.423 176.608 176.870 0.268 0.000 1.008 567 L CA -0.976 53.945 54.840 0.135 0.000 0.819 567 L CB 2.117 44.186 42.059 0.016 0.000 1.339 567 L HN 0.834 nan 8.230 nan 0.000 0.420 568 F N -0.183 119.859 119.950 0.153 0.000 2.675 568 F HA 0.911 5.438 4.527 0.001 0.000 0.324 568 F C -0.756 175.177 175.800 0.221 0.000 1.106 568 F CA -0.863 57.244 58.000 0.178 0.000 0.970 568 F CB 1.807 40.949 39.000 0.236 0.000 1.385 568 F HN 0.427 nan 8.300 nan 0.000 0.489 569 S N 0.616 116.395 115.700 0.131 0.000 2.556 569 S HA 0.529 4.999 4.470 0.001 0.000 0.271 569 S C -2.210 172.590 174.600 0.333 0.000 1.135 569 S CA -0.618 57.619 58.200 0.063 0.000 0.858 569 S CB 1.990 65.215 63.200 0.042 0.000 1.114 569 S HN 1.174 nan 8.310 nan 0.000 0.468 570 W N 3.333 124.649 121.300 0.027 0.000 2.683 570 W HA 0.517 5.177 4.660 0.000 0.000 0.329 570 W C -1.269 175.249 176.519 -0.001 0.000 1.037 570 W CA -0.505 56.837 57.345 -0.004 0.000 1.232 570 W CB 1.765 31.102 29.460 -0.204 0.000 1.390 570 W HN 1.065 nan 8.180 nan 0.000 0.465 571 E N 3.364 123.303 120.200 -0.436 0.000 2.288 571 E HA 0.321 4.672 4.350 0.001 0.000 0.268 571 E C 0.650 176.963 176.600 -0.480 0.000 0.885 571 E CA -0.750 55.160 56.400 -0.818 0.000 0.767 571 E CB 1.986 30.753 29.700 -1.554 0.000 1.220 571 E HN 0.295 nan 8.360 nan 0.000 0.427 572 I N 0.129 120.444 120.570 -0.426 0.000 2.493 572 I HA -0.220 3.951 4.170 0.001 0.000 0.254 572 I C 1.779 177.514 176.117 -0.637 0.000 1.160 572 I CA 1.213 62.313 61.300 -0.334 0.000 1.445 572 I CB -0.908 37.008 38.000 -0.140 0.000 1.086 572 I HN 0.641 nan 8.210 nan 0.000 0.433 573 D N 2.123 121.903 120.400 -1.033 0.000 2.263 573 D HA -0.168 4.472 4.640 0.001 0.000 0.208 573 D C 1.925 177.904 176.300 -0.535 0.000 0.971 573 D CA 1.378 54.558 54.000 -1.366 0.000 0.867 573 D CB 0.014 40.147 40.800 -1.111 0.000 0.929 573 D HN 0.516 nan 8.370 nan 0.000 0.492 574 A N 0.352 122.976 122.820 -0.327 0.000 2.178 574 A HA 0.011 4.331 4.320 0.001 0.000 0.211 574 A C 0.814 178.443 177.584 0.076 0.000 1.157 574 A CA 0.100 52.105 52.037 -0.053 0.000 0.780 574 A CB -0.050 18.959 19.000 0.015 0.000 0.828 574 A HN 0.118 nan 8.150 nan 0.000 0.476 575 D N -0.061 120.354 120.400 0.025 0.000 2.283 575 D HA 0.215 4.856 4.640 0.001 0.000 0.248 575 D C 0.647 177.051 176.300 0.174 0.000 1.072 575 D CA -0.131 53.955 54.000 0.143 0.000 0.929 575 D CB 0.672 41.506 40.800 0.057 0.000 1.182 575 D HN 0.258 nan 8.370 nan 0.000 0.433 576 N N 1.698 120.551 118.700 0.255 0.000 2.203 576 N HA 0.186 4.926 4.740 0.001 0.000 0.207 576 N C 1.110 176.722 175.510 0.171 0.000 1.130 576 N CA 0.453 53.620 53.050 0.195 0.000 0.861 576 N CB 0.913 39.503 38.487 0.171 0.000 1.005 576 N HN 0.563 nan 8.380 nan 0.000 0.507 577 G N 0.403 109.302 108.800 0.165 0.000 2.339 577 G HA2 -0.279 3.681 3.960 0.001 0.000 0.209 577 G HA3 -0.279 3.681 3.960 0.001 0.000 0.209 577 G C 0.620 175.605 174.900 0.141 0.000 1.015 577 G CA 0.265 45.450 45.100 0.143 0.000 0.635 577 G HN 0.293 nan 8.290 nan 0.000 0.499 578 D N 0.935 121.433 120.400 0.164 0.000 2.123 578 D HA -0.069 4.572 4.640 0.001 0.000 0.196 578 D C 2.566 178.879 176.300 0.022 0.000 0.992 578 D CA 1.320 55.404 54.000 0.140 0.000 0.833 578 D CB -0.076 40.870 40.800 0.244 0.000 0.954 578 D HN 0.405 nan 8.370 nan 0.000 0.455 579 I N 0.294 120.789 120.570 -0.125 0.000 2.233 579 I HA -0.141 4.029 4.170 0.001 0.000 0.243 579 I C 2.393 178.479 176.117 -0.051 0.000 1.093 579 I CA 0.505 61.701 61.300 -0.173 0.000 1.380 579 I CB -1.036 36.804 38.000 -0.267 0.000 1.067 579 I HN 0.045 nan 8.210 nan 0.000 0.413 580 L N 1.528 122.761 121.223 0.018 0.000 2.131 580 L HA -0.152 4.188 4.340 0.001 0.000 0.210 580 L C 2.094 179.038 176.870 0.123 0.000 1.092 580 L CA 1.690 56.579 54.840 0.082 0.000 0.759 580 L CB -0.924 41.213 42.059 0.131 0.000 0.903 580 L HN 0.185 nan 8.230 nan 0.000 0.435 581 N N 0.303 119.084 118.700 0.135 0.000 2.043 581 N HA -0.162 4.579 4.740 0.001 0.000 0.193 581 N C 1.856 177.374 175.510 0.014 0.000 1.037 581 N CA 1.794 54.943 53.050 0.165 0.000 0.851 581 N CB -0.622 38.043 38.487 0.297 0.000 1.027 581 N HN 0.493 nan 8.380 nan 0.000 0.422 582 A N 0.787 123.620 122.820 0.021 0.000 1.972 582 A HA -0.080 4.240 4.320 0.001 0.000 0.219 582 A C 2.285 179.764 177.584 -0.175 0.000 1.169 582 A CA 1.190 53.138 52.037 -0.148 0.000 0.635 582 A CB -0.489 18.362 19.000 -0.248 0.000 0.810 582 A HN 0.217 nan 8.150 nan 0.000 0.446 583 M N -1.377 118.143 119.600 -0.133 0.000 2.080 583 M HA -0.179 4.302 4.480 0.001 0.000 0.260 583 M C 2.190 178.341 176.300 -0.248 0.000 1.068 583 M CA 1.621 56.822 55.300 -0.166 0.000 1.109 583 M CB -0.587 31.927 32.600 -0.144 0.000 1.342 583 M HN 0.505 nan 8.290 nan 0.000 0.405 584 H N -0.283 118.592 119.070 -0.326 0.000 2.357 584 H HA -0.081 4.476 4.556 0.001 0.000 0.301 584 H C 1.919 177.019 175.328 -0.380 0.000 1.082 584 H CA 1.468 57.237 56.048 -0.464 0.000 1.342 584 H CB -0.132 29.019 29.762 -1.017 0.000 1.389 584 H HN 0.523 nan 8.280 nan 0.000 0.511 585 E N -0.014 120.044 120.200 -0.236 0.000 2.150 585 E HA -0.086 4.265 4.350 0.001 0.000 0.193 585 E C 2.440 179.007 176.600 -0.055 0.000 0.985 585 E CA 0.587 56.948 56.400 -0.065 0.000 0.814 585 E CB -0.067 29.661 29.700 0.048 0.000 0.752 585 E HN 0.426 nan 8.360 nan 0.000 0.466 586 G N 0.754 109.491 108.800 -0.104 0.000 2.422 586 G HA2 -0.184 3.776 3.960 0.001 0.000 0.218 586 G HA3 -0.184 3.776 3.960 0.001 0.000 0.218 586 G C 1.390 176.262 174.900 -0.046 0.000 1.140 586 G CA 0.331 45.385 45.100 -0.077 0.000 0.775 586 G HN 0.085 nan 8.290 nan 0.000 0.545 587 M N 1.005 120.565 119.600 -0.066 0.000 2.494 587 M HA 0.404 4.884 4.480 0.001 0.000 0.232 587 M C 1.200 177.494 176.300 -0.010 0.000 1.137 587 M CA -0.746 54.527 55.300 -0.044 0.000 1.012 587 M CB -0.339 32.211 32.600 -0.083 0.000 1.567 587 M HN 0.201 nan 8.290 nan 0.000 0.486 588 A N 0.000 122.822 122.820 0.004 0.000 2.254 588 A HA 0.000 4.320 4.320 0.001 0.000 0.244 588 A CA 0.000 52.060 52.037 0.039 0.000 0.836 588 A CB 0.000 19.041 19.000 0.068 0.000 0.831 588 A HN 0.000 nan 8.150 nan 0.000 0.486