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 3b9d_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 0.018 0.000 1.274 22 A CA 0.000 52.044 52.037 0.012 0.000 0.836 22 A CB 0.000 19.005 19.000 0.008 0.000 0.831 23 P HA 0.422 nan 4.420 nan 0.000 0.275 23 P C 0.013 177.330 177.300 0.029 0.000 1.266 23 P CA 0.038 63.156 63.100 0.030 0.000 0.793 23 P CB 0.180 31.904 31.700 0.039 0.000 1.074 24 T N 0.254 114.830 114.554 0.036 0.000 2.928 24 T HA 0.298 4.649 4.350 0.001 0.000 0.305 24 T C 0.524 175.239 174.700 0.025 0.000 1.035 24 T CA 0.017 62.138 62.100 0.035 0.000 1.145 24 T CB -0.053 68.844 68.868 0.047 0.000 0.963 24 T HN 0.532 nan 8.240 nan 0.000 0.545 25 A N 5.570 128.397 122.820 0.013 0.000 2.492 25 A HA 0.422 4.742 4.320 0.001 0.000 0.254 25 A C -2.035 175.537 177.584 -0.019 0.000 1.091 25 A CA -1.313 50.717 52.037 -0.010 0.000 0.768 25 A CB -0.468 18.526 19.000 -0.010 0.000 1.028 25 A HN 0.511 nan 8.150 nan 0.000 0.498 26 P HA 0.072 nan 4.420 nan 0.000 0.265 26 P C -0.242 177.027 177.300 -0.052 0.000 1.187 26 P CA 0.389 63.434 63.100 -0.091 0.000 0.766 26 P CB 0.690 32.091 31.700 -0.499 0.000 0.820 27 S N 3.428 119.129 115.700 0.003 0.000 2.530 27 S HA 0.410 4.880 4.470 0.001 0.000 0.322 27 S C -0.207 174.407 174.600 0.023 0.000 1.085 27 S CA -0.806 57.391 58.200 -0.004 0.000 1.096 27 S CB -0.092 63.094 63.200 -0.023 0.000 0.988 27 S HN 0.125 nan 8.310 nan 0.000 0.466 28 I N 4.176 124.772 120.570 0.044 0.000 2.598 28 I HA 0.134 4.305 4.170 0.001 0.000 0.284 28 I C 0.640 176.799 176.117 0.069 0.000 1.140 28 I CA -0.119 61.229 61.300 0.080 0.000 1.420 28 I CB 0.069 38.114 38.000 0.075 0.000 1.387 28 I HN 0.646 nan 8.210 nan 0.000 0.553 29 D N 7.381 127.821 120.400 0.068 0.000 2.393 29 D HA 0.116 4.756 4.640 0.001 0.000 0.232 29 D C 1.017 177.379 176.300 0.103 0.000 1.192 29 D CA -0.342 53.708 54.000 0.082 0.000 0.882 29 D CB 0.823 41.656 40.800 0.055 0.000 1.038 29 D HN 0.249 nan 8.370 nan 0.000 0.499 30 M N 3.194 122.864 119.600 0.116 0.000 2.086 30 M HA -0.179 4.301 4.480 0.001 0.000 0.261 30 M C 1.598 177.962 176.300 0.106 0.000 1.067 30 M CA 1.299 56.660 55.300 0.101 0.000 1.116 30 M CB -1.122 31.536 32.600 0.097 0.000 1.348 30 M HN 0.607 nan 8.290 nan 0.000 0.407 31 Y N 0.909 121.229 120.300 0.033 0.000 2.181 31 Y HA -0.084 4.466 4.550 0.001 0.000 0.288 31 Y C 2.251 178.163 175.900 0.020 0.000 1.146 31 Y CA 1.883 59.996 58.100 0.022 0.000 1.164 31 Y CB -0.766 37.713 38.460 0.032 0.000 0.982 31 Y HN 0.250 nan 8.280 nan 0.000 0.515 32 G N -1.737 107.077 108.800 0.024 0.000 2.679 32 G HA2 -0.104 3.856 3.960 0.001 0.000 0.212 32 G HA3 -0.104 3.856 3.960 0.001 0.000 0.212 32 G C 1.085 175.952 174.900 -0.055 0.000 1.137 32 G CA 0.839 45.908 45.100 -0.053 0.000 0.787 32 G HN 0.383 nan 8.290 nan 0.000 0.534 33 S N 0.249 115.934 115.700 -0.025 0.000 2.601 33 S HA 0.161 4.632 4.470 0.001 0.000 0.244 33 S C 0.685 175.241 174.600 -0.072 0.000 1.001 33 S CA -0.444 57.787 58.200 0.051 0.000 0.984 33 S CB 0.007 63.284 63.200 0.128 0.000 0.842 33 S HN 0.468 nan 8.310 nan 0.000 0.474 34 N N 2.747 121.323 118.700 -0.206 0.000 2.727 34 N HA -0.237 4.503 4.740 0.001 0.000 0.249 34 N C -0.021 175.312 175.510 -0.295 0.000 1.048 34 N CA 0.815 53.673 53.050 -0.320 0.000 0.714 34 N CB -1.711 36.507 38.487 -0.448 0.000 0.959 34 N HN 0.392 nan 8.380 nan 0.000 0.544 35 N N -0.294 118.316 118.700 -0.151 0.000 2.693 35 N HA -0.243 4.498 4.740 0.001 0.000 0.249 35 N C -0.228 175.215 175.510 -0.111 0.000 1.119 35 N CA 1.373 54.375 53.050 -0.080 0.000 0.717 35 N CB -1.057 37.401 38.487 -0.048 0.000 1.071 35 N HN 0.610 nan 8.380 nan 0.000 0.555 36 L N -3.201 117.928 121.223 -0.156 0.000 3.843 36 L HA -0.321 4.019 4.340 0.001 0.000 0.411 36 L C -0.450 176.282 176.870 -0.230 0.000 1.205 36 L CA 0.928 55.721 54.840 -0.079 0.000 0.945 36 L CB -1.065 41.043 42.059 0.082 0.000 1.929 36 L HN 0.323 nan 8.230 nan 0.000 0.934 37 Q N 0.325 119.786 119.800 -0.565 0.000 2.348 37 Q HA 0.687 5.027 4.340 0.001 0.000 0.265 37 Q C -0.515 175.023 176.000 -0.770 0.000 0.998 37 Q CA 0.101 55.641 55.803 -0.437 0.000 0.831 37 Q CB 1.422 30.007 28.738 -0.256 0.000 1.251 37 Q HN 0.160 nan 8.270 nan 0.000 0.456 38 F N -0.058 119.856 119.950 -0.060 0.000 2.611 38 F HA 0.658 5.185 4.527 0.001 0.000 0.324 38 F C 0.356 176.095 175.800 -0.100 0.000 1.061 38 F CA -0.959 56.991 58.000 -0.083 0.000 0.954 38 F CB 2.224 41.172 39.000 -0.085 0.000 1.301 38 F HN 0.277 nan 8.300 nan 0.000 0.482 39 S N -0.099 115.651 115.700 0.084 0.000 2.536 39 S HA 0.356 4.826 4.470 0.001 0.000 0.271 39 S C -0.143 174.427 174.600 -0.050 0.000 1.134 39 S CA -0.765 57.416 58.200 -0.033 0.000 0.897 39 S CB 1.621 64.776 63.200 -0.075 0.000 1.094 39 S HN 0.701 nan 8.310 nan 0.000 0.473 40 K N 2.160 122.500 120.400 -0.100 0.000 2.418 40 K HA 0.296 4.617 4.320 0.001 0.000 0.195 40 K C 0.274 176.700 176.600 -0.291 0.000 1.035 40 K CA 0.547 56.705 56.287 -0.216 0.000 1.003 40 K CB 0.165 32.485 32.500 -0.300 0.000 0.793 40 K HN 0.573 nan 8.250 nan 0.000 0.494 41 I N 1.297 121.782 120.570 -0.142 0.000 2.498 41 I HA 0.117 4.287 4.170 0.001 0.000 0.290 41 I C -1.283 174.791 176.117 -0.071 0.000 1.032 41 I CA -0.723 60.509 61.300 -0.114 0.000 1.073 41 I CB 1.732 39.686 38.000 -0.077 0.000 1.251 41 I HN -0.039 nan 8.210 nan 0.000 0.426 42 E N 7.896 128.056 120.200 -0.066 0.000 2.134 42 E HA 0.499 4.850 4.350 0.001 0.000 0.278 42 E C -1.386 175.148 176.600 -0.110 0.000 0.959 42 E CA -0.531 55.839 56.400 -0.050 0.000 0.783 42 E CB 1.880 31.588 29.700 0.014 0.000 1.095 42 E HN 0.455 nan 8.360 nan 0.000 0.399 43 L N 2.276 123.442 121.223 -0.094 0.000 2.381 43 L HA 0.511 4.852 4.340 0.001 0.000 0.274 43 L C -0.104 176.787 176.870 0.034 0.000 0.988 43 L CA -1.066 53.708 54.840 -0.110 0.000 0.824 43 L CB 1.821 43.753 42.059 -0.212 0.000 1.263 43 L HN 0.548 nan 8.230 nan 0.000 0.410 44 A N 4.155 127.036 122.820 0.101 0.000 2.492 44 A HA 0.369 4.689 4.320 0.001 0.000 0.254 44 A C 0.746 178.451 177.584 0.202 0.000 1.091 44 A CA 0.058 52.172 52.037 0.130 0.000 0.768 44 A CB 0.430 19.505 19.000 0.126 0.000 1.028 44 A HN 0.808 nan 8.150 nan 0.000 0.498 45 M N 0.931 120.602 119.600 0.118 0.000 2.449 45 M HA 0.114 4.594 4.480 0.001 0.000 0.262 45 M C 0.868 177.248 176.300 0.134 0.000 1.152 45 M CA 0.954 56.324 55.300 0.116 0.000 1.104 45 M CB -0.360 32.241 32.600 0.001 0.000 1.416 45 M HN 0.872 nan 8.290 nan 0.000 0.519 46 E N 0.419 120.682 120.200 0.104 0.000 2.562 46 E HA 0.099 4.449 4.350 0.001 0.000 0.214 46 E C 0.141 176.791 176.600 0.084 0.000 0.979 46 E CA 0.018 56.480 56.400 0.103 0.000 1.002 46 E CB 0.905 30.667 29.700 0.103 0.000 1.048 46 E HN 0.376 nan 8.360 nan 0.000 0.488 47 T N -1.969 112.639 114.554 0.091 0.000 2.838 47 T HA 0.544 4.894 4.350 0.001 0.000 0.292 47 T C -0.231 174.523 174.700 0.090 0.000 1.113 47 T CA -0.778 61.367 62.100 0.075 0.000 1.008 47 T CB 2.204 71.113 68.868 0.068 0.000 1.259 47 T HN -0.224 nan 8.240 nan 0.000 0.520 48 T N 1.101 115.701 114.554 0.076 0.000 2.879 48 T HA 0.778 5.128 4.350 0.001 0.000 0.290 48 T C -0.581 174.168 174.700 0.083 0.000 0.993 48 T CA -0.627 61.526 62.100 0.088 0.000 0.975 48 T CB 1.545 70.457 68.868 0.073 0.000 0.981 48 T HN 0.864 nan 8.240 nan 0.000 0.439 49 S N 1.156 116.918 115.700 0.102 0.000 2.929 49 S HA 0.787 5.257 4.470 0.001 0.000 0.311 49 S C 0.001 174.671 174.600 0.117 0.000 1.213 49 S CA -0.312 57.943 58.200 0.091 0.000 0.908 49 S CB 0.677 63.923 63.200 0.077 0.000 1.287 49 S HN 1.032 nan 8.310 nan 0.000 0.594 50 G N 0.555 109.419 108.800 0.106 0.000 2.491 50 G HA2 0.242 4.203 3.960 0.001 0.000 0.238 50 G HA3 0.242 4.203 3.960 0.001 0.000 0.238 50 G C 0.280 175.294 174.900 0.190 0.000 1.277 50 G CA 0.267 45.450 45.100 0.138 0.000 0.851 50 G HN 0.738 nan 8.290 nan 0.000 0.573 51 Y N 1.841 122.217 120.300 0.127 0.000 2.114 51 Y HA -0.257 4.293 4.550 0.000 0.000 0.282 51 Y C 2.538 178.526 175.900 0.147 0.000 1.165 51 Y CA 2.515 60.722 58.100 0.178 0.000 1.148 51 Y CB 0.130 38.705 38.460 0.192 0.000 0.972 51 Y HN 0.513 nan 8.280 nan 0.000 0.504 52 N N 0.097 118.921 118.700 0.207 0.000 2.459 52 N HA -0.130 4.611 4.740 0.001 0.000 0.181 52 N C 1.208 176.728 175.510 0.017 0.000 1.046 52 N CA 1.323 54.427 53.050 0.089 0.000 0.904 52 N CB -0.322 38.249 38.487 0.140 0.000 0.964 52 N HN 0.526 nan 8.380 nan 0.000 0.444 53 D N 0.512 120.935 120.400 0.039 0.000 2.162 53 D HA 0.066 4.706 4.640 0.001 0.000 0.205 53 D C 1.902 178.208 176.300 0.011 0.000 0.964 53 D CA 0.761 54.778 54.000 0.029 0.000 0.847 53 D CB 0.195 41.026 40.800 0.051 0.000 0.988 53 D HN 0.099 nan 8.370 nan 0.000 0.480 54 M N -0.430 119.178 119.600 0.013 0.000 2.288 54 M HA 0.046 4.526 4.480 0.001 0.000 0.266 54 M C 0.077 176.329 176.300 -0.079 0.000 1.072 54 M CA 0.508 55.827 55.300 0.033 0.000 1.132 54 M CB 0.772 33.466 32.600 0.156 0.000 1.386 54 M HN -0.207 nan 8.290 nan 0.000 0.432 55 V N 1.499 121.277 119.914 -0.226 0.000 2.378 55 V HA 0.288 4.408 4.120 0.001 0.000 0.288 55 V C -0.872 175.063 176.094 -0.265 0.000 1.016 55 V CA -0.737 61.356 62.300 -0.344 0.000 0.840 55 V CB 1.413 32.870 31.823 -0.611 0.000 0.994 55 V HN 0.143 nan 8.190 nan 0.000 0.431 56 K N 4.450 124.708 120.400 -0.236 0.000 2.535 56 K HA 0.518 4.838 4.320 0.001 0.000 0.253 56 K C -1.260 175.101 176.600 -0.398 0.000 0.953 56 K CA -0.446 55.678 56.287 -0.271 0.000 0.863 56 K CB 1.799 34.186 32.500 -0.188 0.000 1.111 56 K HN 0.606 nan 8.250 nan 0.000 0.431 57 Y N 2.898 122.868 120.300 -0.551 0.000 2.342 57 Y HA 0.377 4.927 4.550 0.001 0.000 0.334 57 Y C -0.508 175.017 175.900 -0.625 0.000 1.067 57 Y CA -0.430 57.358 58.100 -0.521 0.000 1.128 57 Y CB 1.008 39.225 38.460 -0.405 0.000 1.200 57 Y HN 0.566 nan 8.280 nan 0.000 0.464 58 H N 5.008 123.624 119.070 -0.757 0.000 2.589 58 H HA 0.182 4.738 4.556 0.001 0.000 0.351 58 H C 0.268 175.245 175.328 -0.585 0.000 1.074 58 H CA -0.644 55.117 56.048 -0.479 0.000 1.203 58 H CB 2.036 31.602 29.762 -0.328 0.000 1.558 58 H HN 0.767 nan 8.280 nan 0.000 0.522 59 E N 2.031 122.143 120.200 -0.147 0.000 2.204 59 E HA 0.003 4.353 4.350 0.001 0.000 0.194 59 E C 0.224 176.767 176.600 -0.095 0.000 0.989 59 E CA 0.727 57.083 56.400 -0.072 0.000 0.824 59 E CB 0.467 30.169 29.700 0.003 0.000 0.756 59 E HN 0.461 nan 8.360 nan 0.000 0.477 60 L N 0.259 121.426 121.223 -0.093 0.000 2.381 60 L HA 0.450 4.790 4.340 0.001 0.000 0.274 60 L C -0.347 176.449 176.870 -0.124 0.000 0.988 60 L CA -0.914 53.867 54.840 -0.098 0.000 0.824 60 L CB 1.976 43.986 42.059 -0.081 0.000 1.263 60 L HN -0.200 nan 8.230 nan 0.000 0.410 61 A N 3.204 125.956 122.820 -0.112 0.000 2.401 61 A HA 0.374 4.694 4.320 0.001 0.000 0.259 61 A C -0.155 177.301 177.584 -0.213 0.000 1.103 61 A CA -0.332 51.620 52.037 -0.142 0.000 0.789 61 A CB 0.170 19.133 19.000 -0.062 0.000 1.035 61 A HN 0.690 nan 8.150 nan 0.000 0.491 62 K N 2.748 122.996 120.400 -0.255 0.000 2.284 62 K HA 0.297 4.617 4.320 0.001 0.000 0.287 62 K C -0.632 175.698 176.600 -0.450 0.000 1.081 62 K CA -0.073 56.034 56.287 -0.301 0.000 0.910 62 K CB 0.449 32.808 32.500 -0.236 0.000 1.088 62 K HN 0.511 nan 8.250 nan 0.000 0.478 63 I N 3.112 123.219 120.570 -0.771 0.000 2.353 63 I HA 0.266 4.436 4.170 0.001 0.000 0.293 63 I C 0.015 175.599 176.117 -0.888 0.000 0.992 63 I CA -0.447 60.057 61.300 -1.326 0.000 1.268 63 I CB 1.104 38.025 38.000 -1.799 0.000 1.387 63 I HN 0.535 nan 8.210 nan 0.000 0.478 64 K N 5.838 125.884 120.400 -0.589 0.000 2.640 64 K HA 0.586 4.906 4.320 0.001 0.000 0.245 64 K C -1.898 174.746 176.600 0.074 0.000 0.962 64 K CA -0.355 55.851 56.287 -0.135 0.000 0.896 64 K CB 1.725 34.220 32.500 -0.009 0.000 1.147 64 K HN 0.428 nan 8.250 nan 0.000 0.445 65 V N 4.336 124.293 119.914 0.071 0.000 2.448 65 V HA 0.405 4.526 4.120 0.001 0.000 0.295 65 V C -0.548 175.598 176.094 0.087 0.000 1.025 65 V CA -0.893 61.498 62.300 0.153 0.000 0.859 65 V CB 1.694 33.650 31.823 0.222 0.000 0.988 65 V HN 0.664 nan 8.190 nan 0.000 0.431 66 K N 4.766 125.202 120.400 0.060 0.000 2.182 66 K HA 0.751 5.072 4.320 0.001 0.000 0.262 66 K C -1.042 175.573 176.600 0.025 0.000 0.957 66 K CA -0.368 55.889 56.287 -0.049 0.000 0.842 66 K CB 1.899 34.361 32.500 -0.064 0.000 1.099 66 K HN 0.638 nan 8.250 nan 0.000 0.438 67 F N -0.581 119.279 119.950 -0.151 0.000 2.613 67 F HA 0.565 5.092 4.527 0.001 0.000 0.314 67 F C -0.861 174.773 175.800 -0.278 0.000 1.075 67 F CA -1.156 56.733 58.000 -0.186 0.000 0.945 67 F CB 1.291 40.194 39.000 -0.162 0.000 1.310 67 F HN 0.250 nan 8.300 nan 0.000 0.467 68 N N 1.412 119.996 118.700 -0.193 0.000 2.319 68 N HA 0.370 5.111 4.740 0.001 0.000 0.305 68 N C -1.590 173.702 175.510 -0.363 0.000 1.103 68 N CA -0.744 51.950 53.050 -0.593 0.000 0.815 68 N CB 2.184 39.818 38.487 -1.421 0.000 1.288 68 N HN 0.761 nan 8.380 nan 0.000 0.493 69 Q N 0.637 120.214 119.800 -0.372 0.000 3.244 69 Q HA 0.231 4.571 4.340 0.001 0.000 0.249 69 Q C -0.052 175.919 176.000 -0.048 0.000 0.951 69 Q CA -0.406 55.323 55.803 -0.123 0.000 0.740 69 Q CB 1.060 29.801 28.738 0.006 0.000 1.334 69 Q HN 0.629 nan 8.270 nan 0.000 0.448 70 W N 0.288 121.618 121.300 0.050 0.000 2.800 70 W HA 0.148 4.808 4.660 0.001 0.000 0.249 70 W C 0.091 176.627 176.519 0.029 0.000 1.294 70 W CA 0.182 57.547 57.345 0.033 0.000 1.402 70 W CB 0.529 30.006 29.460 0.029 0.000 1.126 70 W HN 0.202 nan 8.180 nan 0.000 0.652 71 S N -1.580 114.250 115.700 0.217 0.000 2.549 71 S HA 0.679 5.149 4.470 0.001 0.000 0.280 71 S C 0.319 174.976 174.600 0.095 0.000 1.109 71 S CA -0.068 58.216 58.200 0.140 0.000 0.905 71 S CB 2.259 65.533 63.200 0.124 0.000 1.081 71 S HN 0.315 nan 8.310 nan 0.000 0.477 72 G N 1.847 110.692 108.800 0.075 0.000 2.645 72 G HA2 -0.184 3.777 3.960 0.001 0.000 0.239 72 G HA3 -0.184 3.777 3.960 0.001 0.000 0.239 72 G C -0.103 174.830 174.900 0.055 0.000 1.331 72 G CA -0.256 44.878 45.100 0.057 0.000 0.890 72 G HN 1.422 nan 8.290 nan 0.000 0.572 73 T N -2.065 112.516 114.554 0.046 0.000 2.869 73 T HA 0.589 4.939 4.350 0.001 0.000 0.295 73 T C 1.671 176.400 174.700 0.050 0.000 0.987 73 T CA 0.810 62.937 62.100 0.044 0.000 1.109 73 T CB 1.522 70.412 68.868 0.036 0.000 0.932 73 T HN 2.025 nan 8.240 nan 0.000 0.518 74 S N 2.365 118.097 115.700 0.053 0.000 2.436 74 S HA 0.424 4.895 4.470 0.001 0.000 0.228 74 S C 1.473 176.121 174.600 0.079 0.000 1.014 74 S CA 0.135 58.375 58.200 0.067 0.000 0.950 74 S CB -1.181 62.053 63.200 0.057 0.000 0.784 74 S HN 2.006 nan 8.310 nan 0.000 0.504 75 G N 1.175 110.011 108.800 0.061 0.000 2.660 75 G HA2 -0.130 3.830 3.960 0.001 0.000 0.215 75 G HA3 -0.130 3.830 3.960 0.001 0.000 0.215 75 G C -0.508 174.428 174.900 0.060 0.000 1.345 75 G CA 0.106 45.240 45.100 0.057 0.000 0.877 75 G HN 0.304 nan 8.290 nan 0.000 0.549 76 D N -0.744 119.686 120.400 0.051 0.000 2.470 76 D HA 0.237 4.877 4.640 0.001 0.000 0.238 76 D C 0.995 177.318 176.300 0.038 0.000 1.054 76 D CA 1.577 55.599 54.000 0.037 0.000 0.896 76 D CB 0.630 41.438 40.800 0.014 0.000 1.118 76 D HN 0.520 nan 8.370 nan 0.000 0.497 77 T N 0.501 115.077 114.554 0.038 0.000 2.912 77 T HA 0.423 4.773 4.350 0.001 0.000 0.299 77 T C -0.891 173.841 174.700 0.053 0.000 1.052 77 T CA -0.780 61.310 62.100 -0.016 0.000 0.996 77 T CB 1.774 70.600 68.868 -0.071 0.000 1.070 77 T HN 0.016 nan 8.240 nan 0.000 0.465 78 Y N 0.740 121.050 120.300 0.016 0.000 2.528 78 Y HA 0.817 5.368 4.550 0.001 0.000 0.335 78 Y C -0.557 175.270 175.900 -0.121 0.000 1.093 78 Y CA -1.277 56.809 58.100 -0.024 0.000 1.134 78 Y CB 1.294 39.810 38.460 0.093 0.000 1.253 78 Y HN 0.379 nan 8.280 nan 0.000 0.478 79 N N 1.551 120.265 118.700 0.022 0.000 2.371 79 N HA 0.416 5.156 4.740 0.001 0.000 0.291 79 N C -1.794 173.512 175.510 -0.340 0.000 1.053 79 N CA -0.608 52.291 53.050 -0.252 0.000 0.870 79 N CB 2.781 41.049 38.487 -0.365 0.000 1.503 79 N HN 0.527 nan 8.380 nan 0.000 0.485 80 V N 2.846 122.477 119.914 -0.471 0.000 2.394 80 V HA 0.420 4.541 4.120 0.001 0.000 0.282 80 V C -0.829 174.866 176.094 -0.664 0.000 1.031 80 V CA -0.438 61.589 62.300 -0.454 0.000 0.881 80 V CB 0.153 31.674 31.823 -0.503 0.000 0.982 80 V HN 0.488 nan 8.190 nan 0.000 0.451 81 Y N 3.985 124.213 120.300 -0.120 0.000 2.393 81 Y HA 0.660 5.210 4.550 0.001 0.000 0.341 81 Y C -0.460 175.559 175.900 0.198 0.000 0.988 81 Y CA -0.893 57.175 58.100 -0.052 0.000 1.078 81 Y CB 1.824 40.276 38.460 -0.014 0.000 1.203 81 Y HN 0.446 nan 8.280 nan 0.000 0.453 82 F N 2.846 122.802 119.950 0.010 0.000 2.403 82 F HA 0.256 4.783 4.527 0.001 0.000 0.355 82 F C 0.049 175.907 175.800 0.097 0.000 1.119 82 F CA -1.857 56.128 58.000 -0.025 0.000 1.007 82 F CB 0.954 39.744 39.000 -0.351 0.000 1.194 82 F HN 0.629 nan 8.300 nan 0.000 0.443 83 D N 2.523 123.098 120.400 0.291 0.000 2.701 83 D HA -0.195 4.445 4.640 0.001 0.000 0.235 83 D C 1.456 177.849 176.300 0.154 0.000 1.155 83 D CA 1.568 55.688 54.000 0.200 0.000 0.649 83 D CB -0.960 39.975 40.800 0.226 0.000 1.050 83 D HN 1.052 nan 8.370 nan 0.000 0.425 84 G N -2.332 106.553 108.800 0.141 0.000 2.205 84 G HA2 -0.326 3.634 3.960 0.001 0.000 0.261 84 G HA3 -0.326 3.634 3.960 0.001 0.000 0.261 84 G C 0.379 175.380 174.900 0.169 0.000 0.980 84 G CA 0.271 45.404 45.100 0.055 0.000 0.632 84 G HN 0.607 nan 8.290 nan 0.000 0.533 85 V N 1.270 121.323 119.914 0.232 0.000 2.407 85 V HA 0.460 4.580 4.120 0.001 0.000 0.278 85 V C 0.775 176.958 176.094 0.147 0.000 1.037 85 V CA -0.599 61.817 62.300 0.193 0.000 0.900 85 V CB 1.614 33.520 31.823 0.137 0.000 0.983 85 V HN 0.409 nan 8.190 nan 0.000 0.459 86 K N 3.420 123.862 120.400 0.070 0.000 2.416 86 K HA 0.214 4.535 4.320 0.001 0.000 0.283 86 K C 0.660 177.054 176.600 -0.344 0.000 1.037 86 K CA 0.046 56.146 56.287 -0.310 0.000 0.995 86 K CB 0.900 33.207 32.500 -0.320 0.000 0.938 86 K HN 0.633 nan 8.250 nan 0.000 0.475 87 V N 0.709 120.278 119.914 -0.575 0.000 3.612 87 V HA 0.518 4.638 4.120 0.001 0.000 0.268 87 V C 0.108 175.750 176.094 -0.754 0.000 1.365 87 V CA 0.309 62.233 62.300 -0.627 0.000 1.044 87 V CB 0.072 31.291 31.823 -1.006 0.000 0.820 87 V HN 0.650 nan 8.190 nan 0.000 0.444 88 A N -0.648 121.682 122.820 -0.816 0.000 2.612 88 A HA 0.835 5.155 4.320 0.001 0.000 0.293 88 A C -0.612 176.689 177.584 -0.471 0.000 1.075 88 A CA 0.210 51.828 52.037 -0.699 0.000 0.680 88 A CB 1.791 20.090 19.000 -1.168 0.000 1.279 88 A HN 0.449 nan 8.150 nan 0.000 0.411 89 T N -0.841 113.485 114.554 -0.379 0.000 2.885 89 T HA 0.778 5.129 4.350 0.001 0.000 0.322 89 T C -0.290 173.999 174.700 -0.685 0.000 1.387 89 T CA 0.547 62.332 62.100 -0.525 0.000 1.041 89 T CB 1.505 70.136 68.868 -0.395 0.000 1.287 89 T HN 2.469 nan 8.240 nan 0.000 0.491 90 G N 0.921 108.986 108.800 -1.224 0.000 2.428 90 G HA2 0.702 4.662 3.960 0.001 0.000 0.304 90 G HA3 0.702 4.662 3.960 0.001 0.000 0.304 90 G C -1.186 173.298 174.900 -0.693 0.000 1.303 90 G CA -0.057 44.523 45.100 -0.867 0.000 0.825 90 G HN 1.050 nan 8.290 nan 0.000 0.484 91 A N -0.660 122.040 122.820 -0.201 0.000 2.304 91 A HA 0.794 5.114 4.320 0.001 0.000 0.301 91 A C -0.291 177.405 177.584 0.186 0.000 1.132 91 A CA -0.440 51.587 52.037 -0.017 0.000 0.819 91 A CB 0.429 19.425 19.000 -0.006 0.000 1.094 91 A HN 0.646 nan 8.150 nan 0.000 0.492 92 I N 1.475 122.143 120.570 0.165 0.000 2.354 92 I HA 0.356 4.526 4.170 0.001 0.000 0.292 92 I C -0.404 175.756 176.117 0.073 0.000 0.989 92 I CA -0.014 61.388 61.300 0.170 0.000 1.188 92 I CB 2.032 40.161 38.000 0.216 0.000 1.342 92 I HN 0.565 nan 8.210 nan 0.000 0.457 93 T N 4.510 119.083 114.554 0.031 0.000 2.881 93 T HA 0.644 4.995 4.350 0.001 0.000 0.291 93 T C 0.183 174.877 174.700 -0.010 0.000 0.990 93 T CA -0.267 61.840 62.100 0.012 0.000 0.976 93 T CB 1.629 70.501 68.868 0.008 0.000 0.970 93 T HN 1.085 nan 8.240 nan 0.000 0.438 94 G N 2.209 111.011 108.800 0.004 0.000 2.698 94 G HA2 -0.236 3.725 3.960 0.001 0.000 0.233 94 G HA3 -0.236 3.725 3.960 0.001 0.000 0.233 94 G C 0.999 175.890 174.900 -0.016 0.000 1.352 94 G CA 0.075 45.177 45.100 0.003 0.000 0.879 94 G HN 0.819 nan 8.290 nan 0.000 0.567 95 S N -0.648 115.049 115.700 -0.006 0.000 2.489 95 S HA 0.113 4.583 4.470 0.001 0.000 0.228 95 S C 0.925 175.412 174.600 -0.188 0.000 0.995 95 S CA 1.939 60.114 58.200 -0.043 0.000 0.934 95 S CB -0.264 62.990 63.200 0.090 0.000 0.771 95 S HN 0.534 nan 8.310 nan 0.000 0.522 96 Q N 1.261 120.962 119.800 -0.165 0.000 2.333 96 Q HA 0.429 4.769 4.340 0.001 0.000 0.267 96 Q C -1.365 174.435 176.000 -0.333 0.000 1.012 96 Q CA -0.099 55.550 55.803 -0.255 0.000 0.824 96 Q CB 2.148 30.812 28.738 -0.124 0.000 1.290 96 Q HN 0.180 nan 8.270 nan 0.000 0.449 97 T N 1.398 115.591 114.554 -0.602 0.000 2.921 97 T HA 0.396 4.746 4.350 0.001 0.000 0.297 97 T C -0.577 173.683 174.700 -0.734 0.000 1.013 97 T CA -0.490 61.174 62.100 -0.728 0.000 0.990 97 T CB 1.611 69.829 68.868 -1.084 0.000 1.023 97 T HN 0.301 nan 8.240 nan 0.000 0.447 98 T N 2.691 117.009 114.554 -0.394 0.000 2.771 98 T HA 0.645 4.996 4.350 0.001 0.000 0.281 98 T C -0.075 174.516 174.700 -0.181 0.000 0.982 98 T CA -0.592 61.361 62.100 -0.244 0.000 0.978 98 T CB 1.071 69.866 68.868 -0.121 0.000 0.930 98 T HN 0.747 nan 8.240 nan 0.000 0.447 99 A N 3.101 125.840 122.820 -0.135 0.000 2.273 99 A HA 0.646 4.966 4.320 0.001 0.000 0.320 99 A C 0.194 177.873 177.584 0.158 0.000 1.358 99 A CA -0.643 51.390 52.037 -0.006 0.000 0.910 99 A CB 0.389 19.317 19.000 -0.120 0.000 1.159 99 A HN 0.666 nan 8.150 nan 0.000 0.526 100 S N 2.110 117.911 115.700 0.169 0.000 2.437 100 S HA 0.816 5.286 4.470 0.001 0.000 0.305 100 S C -0.643 174.079 174.600 0.203 0.000 1.109 100 S CA -0.332 57.918 58.200 0.083 0.000 1.099 100 S CB 0.324 63.532 63.200 0.013 0.000 1.004 100 S HN 0.842 nan 8.310 nan 0.000 0.475 101 F N 0.006 119.896 119.950 -0.099 0.000 2.779 101 F HA 0.713 5.240 4.527 0.001 0.000 0.316 101 F C -0.975 174.752 175.800 -0.122 0.000 1.164 101 F CA -1.256 56.682 58.000 -0.102 0.000 0.924 101 F CB 0.939 39.872 39.000 -0.113 0.000 1.348 101 F HN 0.332 nan 8.300 nan 0.000 0.467 102 E N 0.244 120.467 120.200 0.038 0.000 2.212 102 E HA 0.471 4.821 4.350 0.001 0.000 0.268 102 E C -2.214 174.456 176.600 0.117 0.000 0.902 102 E CA -0.957 55.409 56.400 -0.058 0.000 0.779 102 E CB 2.948 32.616 29.700 -0.053 0.000 1.172 102 E HN 0.637 nan 8.360 nan 0.000 0.409 103 Y N -0.358 119.876 120.300 -0.110 0.000 2.470 103 Y HA 0.450 5.000 4.550 0.001 0.000 0.341 103 Y C 0.348 176.233 175.900 -0.026 0.000 1.021 103 Y CA -0.517 57.566 58.100 -0.028 0.000 1.025 103 Y CB 2.043 40.522 38.460 0.033 0.000 1.266 103 Y HN 0.629 nan 8.280 nan 0.000 0.448 104 G N 2.586 111.120 108.800 -0.444 0.000 3.159 104 G HA2 0.058 4.019 3.960 0.001 0.000 0.232 104 G HA3 0.058 4.019 3.960 0.001 0.000 0.232 104 G C -0.382 174.417 174.900 -0.169 0.000 1.116 104 G CA -0.006 44.950 45.100 -0.239 0.000 0.767 104 G HN 0.399 nan 8.290 nan 0.000 0.547 105 Q N 0.982 120.627 119.800 -0.258 0.000 2.307 105 Q HA 0.592 4.933 4.340 0.001 0.000 0.262 105 Q C 0.476 176.714 176.000 0.396 0.000 0.961 105 Q CA -0.346 55.510 55.803 0.089 0.000 0.882 105 Q CB 1.368 30.181 28.738 0.125 0.000 1.264 105 Q HN 0.134 nan 8.270 nan 0.000 0.446 106 G N 1.442 110.421 108.800 0.298 0.000 2.569 106 G HA2 0.577 4.538 3.960 0.001 0.000 0.249 106 G HA3 0.577 4.538 3.960 0.001 0.000 0.249 106 G C -0.143 174.947 174.900 0.318 0.000 1.216 106 G CA 0.298 45.580 45.100 0.303 0.000 0.845 106 G HN 0.945 nan 8.290 nan 0.000 0.568 107 G N -1.054 107.878 108.800 0.220 0.000 2.357 107 G HA2 0.293 4.253 3.960 0.001 0.000 0.289 107 G HA3 0.293 4.253 3.960 0.001 0.000 0.289 107 G C -1.327 173.436 174.900 -0.229 0.000 1.302 107 G CA -0.953 44.104 45.100 -0.072 0.000 0.936 107 G HN 0.880 nan 8.290 nan 0.000 0.513 108 L N 0.363 121.307 121.223 -0.464 0.000 2.305 108 L HA 0.680 5.020 4.340 0.001 0.000 0.284 108 L C -1.026 175.492 176.870 -0.587 0.000 1.013 108 L CA -0.779 53.851 54.840 -0.350 0.000 0.819 108 L CB 1.517 43.472 42.059 -0.174 0.000 1.227 108 L HN 0.556 nan 8.230 nan 0.000 0.417 109 Y N 0.962 121.142 120.300 -0.200 0.000 2.499 109 Y HA 0.350 4.901 4.550 0.001 0.000 0.347 109 Y C -0.041 175.728 175.900 -0.220 0.000 0.987 109 Y CA -1.038 56.904 58.100 -0.263 0.000 1.044 109 Y CB 1.760 39.854 38.460 -0.609 0.000 1.245 109 Y HN 0.413 nan 8.280 nan 0.000 0.461 110 Q N 3.584 123.409 119.800 0.043 0.000 2.344 110 Q HA 0.197 4.537 4.340 0.001 0.000 0.253 110 Q C -0.583 175.462 176.000 0.076 0.000 1.050 110 Q CA 0.073 55.899 55.803 0.038 0.000 0.912 110 Q CB 1.258 30.023 28.738 0.045 0.000 1.258 110 Q HN 0.725 nan 8.270 nan 0.000 0.443 111 M N 3.085 122.719 119.600 0.056 0.000 2.209 111 M HA 0.235 4.716 4.480 0.001 0.000 0.355 111 M C -0.786 175.595 176.300 0.135 0.000 1.171 111 M CA -0.032 55.361 55.300 0.155 0.000 1.069 111 M CB 0.796 33.488 32.600 0.153 0.000 1.622 111 M HN 0.419 nan 8.290 nan 0.000 0.459 112 E N 4.972 125.278 120.200 0.177 0.000 2.248 112 E HA 0.531 4.881 4.350 0.001 0.000 0.267 112 E C -1.358 175.316 176.600 0.123 0.000 0.877 112 E CA -0.585 55.885 56.400 0.117 0.000 0.759 112 E CB 2.748 32.502 29.700 0.090 0.000 1.182 112 E HN 0.660 nan 8.360 nan 0.000 0.418 113 I N 2.104 122.665 120.570 -0.015 0.000 2.378 113 I HA 0.268 4.439 4.170 0.001 0.000 0.291 113 I C -0.193 175.832 176.117 -0.154 0.000 0.992 113 I CA -0.531 60.674 61.300 -0.159 0.000 1.154 113 I CB 1.640 39.364 38.000 -0.461 0.000 1.315 113 I HN 0.485 nan 8.210 nan 0.000 0.448 114 E N 5.009 125.177 120.200 -0.053 0.000 2.191 114 E HA 0.725 5.075 4.350 0.001 0.000 0.274 114 E C -1.240 175.342 176.600 -0.031 0.000 0.948 114 E CA -0.747 55.661 56.400 0.014 0.000 0.802 114 E CB 1.933 31.762 29.700 0.214 0.000 1.137 114 E HN 0.717 nan 8.360 nan 0.000 0.397 115 A N 3.350 126.159 122.820 -0.019 0.000 2.331 115 A HA 0.586 4.906 4.320 0.001 0.000 0.320 115 A C -1.087 176.520 177.584 0.037 0.000 1.138 115 A CA -0.617 51.439 52.037 0.032 0.000 0.790 115 A CB 0.744 19.769 19.000 0.041 0.000 1.206 115 A HN 0.691 nan 8.150 nan 0.000 0.470 116 c N 2.093 120.719 118.600 0.043 0.000 2.634 116 c HA 0.861 5.431 4.570 0.001 0.000 0.313 116 c C -0.343 173.761 174.090 0.024 0.000 1.198 116 c CA -0.511 55.834 56.329 0.026 0.000 1.605 116 c CB 1.566 44.085 42.510 0.016 0.000 2.196 116 c HN 1.049 nan 8.230 nan 0.000 0.486 117 D N 0.685 121.095 120.400 0.017 0.000 2.904 117 D HA 0.551 5.191 4.640 0.001 0.000 0.290 117 D C 0.742 177.046 176.300 0.007 0.000 1.180 117 D CA -0.213 53.795 54.000 0.013 0.000 1.065 117 D CB 0.358 41.169 40.800 0.018 0.000 1.386 117 D HN 0.424 nan 8.370 nan 0.000 0.599 118 A N -0.745 122.078 122.820 0.006 0.000 1.972 118 A HA -0.053 4.268 4.320 0.001 0.000 0.219 118 A C 1.932 179.518 177.584 0.003 0.000 1.169 118 A CA 2.744 54.782 52.037 0.003 0.000 0.635 118 A CB -1.422 17.579 19.000 0.002 0.000 0.810 118 A HN 0.711 nan 8.150 nan 0.000 0.446 119 T N -4.452 110.105 114.554 0.006 0.000 3.043 119 T HA 0.461 4.812 4.350 0.001 0.000 0.263 119 T C 0.957 175.660 174.700 0.004 0.000 1.094 119 T CA 1.117 63.220 62.100 0.005 0.000 1.127 119 T CB 0.120 68.992 68.868 0.008 0.000 0.905 119 T HN 1.498 nan 8.240 nan 0.000 0.490 120 G N -0.734 108.069 108.800 0.006 0.000 2.345 120 G HA2 0.388 4.348 3.960 0.001 0.000 0.285 120 G HA3 0.388 4.348 3.960 0.001 0.000 0.285 120 G C -1.714 173.190 174.900 0.008 0.000 1.297 120 G CA -0.451 44.651 45.100 0.004 0.000 0.875 120 G HN 0.466 nan 8.290 nan 0.000 0.506 121 c N -0.336 118.268 118.600 0.006 0.000 2.634 121 c HA 0.928 5.499 4.570 0.001 0.000 0.313 121 c C 0.198 174.289 174.090 0.002 0.000 1.198 121 c CA -0.490 55.845 56.329 0.009 0.000 1.605 121 c CB 1.330 43.850 42.510 0.015 0.000 2.196 121 c HN 0.835 nan 8.230 nan 0.000 0.486 122 S N 1.157 116.858 115.700 0.002 0.000 2.536 122 S HA 0.554 5.024 4.470 0.001 0.000 0.287 122 S C -1.053 173.536 174.600 -0.019 0.000 1.101 122 S CA -0.731 57.465 58.200 -0.008 0.000 0.950 122 S CB 1.350 64.549 63.200 -0.003 0.000 1.056 122 S HN 0.641 nan 8.310 nan 0.000 0.481 123 K N 1.578 121.961 120.400 -0.027 0.000 2.207 123 K HA 0.529 4.849 4.320 0.001 0.000 0.255 123 K C 0.174 176.750 176.600 -0.040 0.000 0.941 123 K CA -0.608 55.658 56.287 -0.036 0.000 0.825 123 K CB 1.624 34.097 32.500 -0.045 0.000 1.119 123 K HN 0.773 nan 8.250 nan 0.000 0.430 124 S N 0.989 116.655 115.700 -0.056 0.000 2.589 124 S HA 0.279 4.750 4.470 0.001 0.000 0.265 124 S C 0.294 174.882 174.600 -0.020 0.000 1.342 124 S CA -0.917 57.255 58.200 -0.045 0.000 1.005 124 S CB 0.902 64.060 63.200 -0.069 0.000 0.909 124 S HN 0.638 nan 8.310 nan 0.000 0.555 125 A N 2.390 125.205 122.820 -0.008 0.000 2.462 125 A HA 0.500 4.821 4.320 0.001 0.000 0.243 125 A C -1.919 175.670 177.584 0.008 0.000 1.076 125 A CA -1.356 50.681 52.037 0.001 0.000 0.773 125 A CB -0.786 18.219 19.000 0.008 0.000 1.010 125 A HN 0.783 nan 8.150 nan 0.000 0.493 126 P HA 0.295 nan 4.420 nan 0.000 0.271 126 P C -0.664 176.650 177.300 0.022 0.000 1.216 126 P CA 0.105 63.217 63.100 0.021 0.000 0.771 126 P CB 1.165 32.874 31.700 0.016 0.000 0.864 127 V N 2.095 122.027 119.914 0.030 0.000 2.925 127 V HA 0.273 4.393 4.120 0.001 0.000 0.311 127 V C -0.493 175.613 176.094 0.021 0.000 1.104 127 V CA -1.058 61.258 62.300 0.027 0.000 0.954 127 V CB 2.130 33.974 31.823 0.036 0.000 1.022 127 V HN 0.600 nan 8.190 nan 0.000 0.427 128 E N 4.434 124.639 120.200 0.009 0.000 2.290 128 E HA 0.355 4.705 4.350 0.001 0.000 0.277 128 E C -0.733 175.866 176.600 -0.002 0.000 1.035 128 E CA -0.185 56.209 56.400 -0.009 0.000 0.873 128 E CB 1.109 30.800 29.700 -0.014 0.000 1.029 128 E HN 0.652 nan 8.360 nan 0.000 0.419 129 I N 3.656 124.205 120.570 -0.035 0.000 2.460 129 I HA 0.273 4.443 4.170 0.001 0.000 0.298 129 I C -0.828 175.299 176.117 0.017 0.000 0.989 129 I CA -0.370 60.930 61.300 -0.001 0.000 1.173 129 I CB 1.665 39.627 38.000 -0.062 0.000 1.338 129 I HN 0.427 nan 8.210 nan 0.000 0.456 130 T N 8.169 122.771 114.554 0.080 0.000 2.770 130 T HA 0.533 4.884 4.350 0.001 0.000 0.283 130 T C -0.281 174.511 174.700 0.153 0.000 0.988 130 T CA -0.205 61.948 62.100 0.089 0.000 0.957 130 T CB 0.648 69.550 68.868 0.057 0.000 0.930 130 T HN 0.318 nan 8.240 nan 0.000 0.443 131 I N 3.002 123.675 120.570 0.171 0.000 2.390 131 I HA 0.492 4.663 4.170 0.001 0.000 0.283 131 I C 0.491 176.626 176.117 0.030 0.000 1.016 131 I CA -0.954 60.450 61.300 0.174 0.000 1.151 131 I CB 1.234 39.412 38.000 0.297 0.000 1.293 131 I HN 0.632 nan 8.210 nan 0.000 0.458 132 A N 4.598 127.304 122.820 -0.190 0.000 2.401 132 A HA 0.508 4.828 4.320 0.001 0.000 0.259 132 A C -0.578 176.840 177.584 -0.278 0.000 1.103 132 A CA 0.095 51.716 52.037 -0.694 0.000 0.789 132 A CB 0.520 19.056 19.000 -0.773 0.000 1.035 132 A HN 0.672 nan 8.150 nan 0.000 0.491 133 D N -0.171 120.156 120.400 -0.123 0.000 2.570 133 D HA 0.416 5.057 4.640 0.001 0.000 0.244 133 D C 0.955 177.407 176.300 0.253 0.000 1.178 133 D CA 0.396 54.470 54.000 0.123 0.000 0.881 133 D CB 1.671 42.577 40.800 0.178 0.000 1.453 133 D HN 0.434 nan 8.370 nan 0.000 0.447 134 T N -1.784 112.922 114.554 0.254 0.000 3.194 134 T HA 0.012 4.362 4.350 0.001 0.000 0.251 134 T C 0.680 175.562 174.700 0.303 0.000 1.132 134 T CA 0.322 62.602 62.100 0.300 0.000 1.028 134 T CB -0.199 68.804 68.868 0.225 0.000 0.976 134 T HN 0.373 nan 8.240 nan 0.000 0.535 135 D N 0.699 121.236 120.400 0.229 0.000 2.350 135 D HA 0.183 4.823 4.640 0.001 0.000 0.213 135 D C 1.685 178.060 176.300 0.125 0.000 1.031 135 D CA 0.478 54.583 54.000 0.175 0.000 0.861 135 D CB -0.790 40.089 40.800 0.133 0.000 0.926 135 D HN 0.502 nan 8.370 nan 0.000 0.520 136 G N 0.554 109.442 108.800 0.148 0.000 2.148 136 G HA2 -0.361 3.600 3.960 0.001 0.000 0.254 136 G HA3 -0.361 3.600 3.960 0.001 0.000 0.254 136 G C 1.144 176.009 174.900 -0.058 0.000 0.981 136 G CA 0.908 45.997 45.100 -0.020 0.000 0.670 136 G HN 0.611 nan 8.290 nan 0.000 0.528 137 S N 0.355 116.118 115.700 0.105 0.000 2.442 137 S HA -0.151 4.319 4.470 0.001 0.000 0.236 137 S C 1.895 176.525 174.600 0.050 0.000 1.007 137 S CA 1.657 59.900 58.200 0.071 0.000 0.965 137 S CB -0.574 62.696 63.200 0.116 0.000 0.773 137 S HN 1.065 nan 8.310 nan 0.000 0.504 138 H N 0.652 119.722 119.070 -0.000 0.000 2.548 138 H HA 0.418 4.974 4.556 0.001 0.000 0.265 138 H C 0.396 175.713 175.328 -0.020 0.000 0.969 138 H CA -0.327 55.712 56.048 -0.014 0.000 1.155 138 H CB -0.398 29.377 29.762 0.021 0.000 1.394 138 H HN 0.370 nan 8.280 nan 0.000 0.570 139 L N 1.861 122.808 121.223 -0.460 0.000 2.334 139 L HA 0.308 4.648 4.340 0.001 0.000 0.275 139 L C 0.269 177.029 176.870 -0.185 0.000 1.036 139 L CA -1.087 53.541 54.840 -0.353 0.000 0.807 139 L CB 1.499 43.307 42.059 -0.419 0.000 1.231 139 L HN -0.128 nan 8.230 nan 0.000 0.438 140 K N 1.975 122.294 120.400 -0.134 0.000 2.258 140 K HA 0.299 4.619 4.320 0.001 0.000 0.264 140 K C -2.262 174.271 176.600 -0.112 0.000 1.007 140 K CA -1.722 54.503 56.287 -0.103 0.000 0.941 140 K CB 0.197 32.649 32.500 -0.081 0.000 0.966 140 K HN 0.223 nan 8.250 nan 0.000 0.480 141 P HA -0.069 nan 4.420 nan 0.000 0.265 141 P C -0.250 176.985 177.300 -0.108 0.000 1.187 141 P CA -0.302 62.739 63.100 -0.099 0.000 0.766 141 P CB 0.320 31.972 31.700 -0.079 0.000 0.820 142 L N 3.604 124.753 121.223 -0.123 0.000 2.416 142 L HA 0.157 4.498 4.340 0.001 0.000 0.272 142 L C 0.078 176.875 176.870 -0.120 0.000 1.161 142 L CA 0.831 55.588 54.840 -0.139 0.000 0.845 142 L CB 0.033 41.990 42.059 -0.170 0.000 1.119 142 L HN 0.332 nan 8.230 nan 0.000 0.464 143 T N 6.127 120.609 114.554 -0.119 0.000 2.856 143 T HA 0.425 4.776 4.350 0.001 0.000 0.292 143 T C 0.194 174.824 174.700 -0.117 0.000 0.980 143 T CA -0.592 61.446 62.100 -0.103 0.000 1.091 143 T CB 0.669 69.482 68.868 -0.090 0.000 0.936 143 T HN 0.396 nan 8.240 nan 0.000 0.503 144 M N 2.951 122.490 119.600 -0.102 0.000 2.528 144 M HA 0.415 4.895 4.480 0.001 0.000 0.318 144 M C 0.308 176.548 176.300 -0.099 0.000 1.195 144 M CA -1.100 54.134 55.300 -0.110 0.000 1.000 144 M CB 0.774 33.318 32.600 -0.093 0.000 1.615 144 M HN 0.511 nan 8.290 nan 0.000 0.469 145 N N 1.488 120.120 118.700 -0.113 0.000 2.752 145 N HA 0.360 5.100 4.740 0.001 0.000 0.260 145 N C -2.064 173.388 175.510 -0.097 0.000 1.562 145 N CA -0.125 52.867 53.050 -0.097 0.000 0.788 145 N CB 0.460 38.885 38.487 -0.104 0.000 1.192 145 N HN 0.362 nan 8.380 nan 0.000 0.503 146 V N 0.785 120.658 119.914 -0.068 0.000 2.481 146 V HA 0.240 4.361 4.120 0.001 0.000 0.286 146 V C 0.507 176.592 176.094 -0.015 0.000 1.042 146 V CA -0.978 61.298 62.300 -0.041 0.000 0.928 146 V CB 1.395 33.203 31.823 -0.024 0.000 0.986 146 V HN 0.412 nan 8.190 nan 0.000 0.462 147 D N 7.174 127.582 120.400 0.013 0.000 2.520 147 D HA 0.018 4.658 4.640 0.001 0.000 0.243 147 D C -1.242 175.071 176.300 0.022 0.000 1.160 147 D CA -1.263 52.754 54.000 0.028 0.000 0.877 147 D CB 1.649 42.488 40.800 0.065 0.000 1.150 147 D HN 0.309 nan 8.370 nan 0.000 0.494 148 P HA -0.121 nan 4.420 nan 0.000 0.231 148 P C 0.909 178.211 177.300 0.004 0.000 1.158 148 P CA 0.477 63.575 63.100 -0.003 0.000 0.763 148 P CB 0.279 31.972 31.700 -0.011 0.000 0.805 149 N N 0.424 119.139 118.700 0.024 0.000 2.381 149 N HA -0.085 4.656 4.740 0.001 0.000 0.182 149 N C 0.536 176.079 175.510 0.055 0.000 1.025 149 N CA 0.382 53.455 53.050 0.038 0.000 0.888 149 N CB -0.576 37.944 38.487 0.056 0.000 0.965 149 N HN 0.019 nan 8.380 nan 0.000 0.438 150 N N 1.731 120.465 118.700 0.058 0.000 2.438 150 N HA -0.009 4.732 4.740 0.001 0.000 0.267 150 N C -0.389 175.131 175.510 0.017 0.000 1.222 150 N CA 0.475 53.568 53.050 0.072 0.000 0.930 150 N CB 0.689 39.219 38.487 0.072 0.000 1.083 150 N HN 0.312 nan 8.380 nan 0.000 0.476 151 K N 0.758 121.164 120.400 0.011 0.000 2.127 151 K HA 0.307 4.627 4.320 0.001 0.000 0.240 151 K C 0.141 176.519 176.600 -0.371 0.000 1.024 151 K CA -0.440 55.721 56.287 -0.210 0.000 0.918 151 K CB 0.736 33.031 32.500 -0.343 0.000 1.108 151 K HN 0.305 nan 8.250 nan 0.000 0.485 152 S N 0.545 115.943 115.700 -0.504 0.000 2.480 152 S HA 0.416 4.887 4.470 0.001 0.000 0.286 152 S C -1.167 173.038 174.600 -0.658 0.000 1.180 152 S CA -0.609 57.346 58.200 -0.408 0.000 1.075 152 S CB 0.242 63.309 63.200 -0.221 0.000 0.996 152 S HN 0.323 nan 8.310 nan 0.000 0.487 153 Y N 1.024 121.253 120.300 -0.117 0.000 2.576 153 Y HA 0.453 5.003 4.550 0.001 0.000 0.346 153 Y C 0.617 176.503 175.900 -0.024 0.000 1.018 153 Y CA -1.026 57.028 58.100 -0.078 0.000 1.050 153 Y CB 1.305 39.677 38.460 -0.146 0.000 1.280 153 Y HN 0.489 nan 8.280 nan 0.000 0.474 154 N N 0.929 119.748 118.700 0.199 0.000 2.610 154 N HA 0.126 4.866 4.740 0.001 0.000 0.309 154 N C -1.111 174.489 175.510 0.150 0.000 1.536 154 N CA 0.003 53.132 53.050 0.132 0.000 0.954 154 N CB 0.305 38.843 38.487 0.084 0.000 1.310 154 N HN 0.637 nan 8.380 nan 0.000 0.502 155 T N 0.334 115.013 114.554 0.207 0.000 2.916 155 T HA -0.037 4.313 4.350 0.001 0.000 0.303 155 T C 0.186 174.961 174.700 0.126 0.000 1.025 155 T CA -0.072 62.139 62.100 0.184 0.000 1.142 155 T CB 0.828 69.868 68.868 0.287 0.000 0.947 155 T HN 0.164 nan 8.240 nan 0.000 0.544 156 D N 4.116 124.569 120.400 0.088 0.000 2.570 156 D HA -0.033 4.607 4.640 0.001 0.000 0.243 156 D C -0.952 175.392 176.300 0.074 0.000 1.171 156 D CA -1.660 52.382 54.000 0.070 0.000 0.879 156 D CB 0.998 41.830 40.800 0.054 0.000 1.143 156 D HN 0.219 nan 8.370 nan 0.000 0.511 157 P HA -0.135 nan 4.420 nan 0.000 0.228 157 P C 1.047 178.395 177.300 0.080 0.000 1.151 157 P CA 0.697 63.843 63.100 0.076 0.000 0.770 157 P CB 0.070 31.808 31.700 0.063 0.000 0.786 158 S N -1.174 114.571 115.700 0.075 0.000 2.522 158 S HA 0.031 4.502 4.470 0.001 0.000 0.227 158 S C 0.952 175.603 174.600 0.086 0.000 0.986 158 S CA -0.139 58.112 58.200 0.086 0.000 0.929 158 S CB -0.947 62.297 63.200 0.073 0.000 0.769 158 S HN 0.049 nan 8.310 nan 0.000 0.529 159 I N 2.810 123.417 120.570 0.063 0.000 2.371 159 I HA 0.211 4.382 4.170 0.001 0.000 0.290 159 I C -0.248 175.885 176.117 0.027 0.000 1.028 159 I CA -0.791 60.530 61.300 0.035 0.000 1.345 159 I CB 1.439 39.444 38.000 0.009 0.000 1.407 159 I HN -0.040 nan 8.210 nan 0.000 0.501 160 V N 8.107 128.013 119.914 -0.013 0.000 2.529 160 V HA 0.058 4.178 4.120 0.001 0.000 0.292 160 V C 0.482 176.578 176.094 0.005 0.000 1.028 160 V CA 0.334 62.608 62.300 -0.043 0.000 1.074 160 V CB 0.504 32.144 31.823 -0.305 0.000 0.958 160 V HN 0.579 nan 8.190 nan 0.000 0.481 161 M N 5.281 124.923 119.600 0.070 0.000 1.980 161 M HA 0.406 4.886 4.480 0.001 0.000 0.282 161 M C 0.152 176.534 176.300 0.136 0.000 0.878 161 M CA -0.067 55.255 55.300 0.037 0.000 0.900 161 M CB 1.255 33.822 32.600 -0.055 0.000 1.577 161 M HN 0.730 nan 8.290 nan 0.000 0.396 162 G N 0.809 109.712 108.800 0.172 0.000 2.441 162 G HA2 0.772 4.733 3.960 0.001 0.000 0.334 162 G HA3 0.772 4.733 3.960 0.001 0.000 0.334 162 G C -0.994 174.002 174.900 0.161 0.000 1.161 162 G CA -0.233 44.968 45.100 0.170 0.000 0.935 162 G HN 0.449 nan 8.290 nan 0.000 0.488 163 T N -0.957 113.648 114.554 0.084 0.000 2.821 163 T HA 0.510 4.860 4.350 0.001 0.000 0.306 163 T C -1.823 172.876 174.700 -0.001 0.000 1.313 163 T CA -0.464 61.700 62.100 0.105 0.000 1.012 163 T CB 1.100 70.019 68.868 0.086 0.000 1.298 163 T HN 0.302 nan 8.240 nan 0.000 0.502 164 Y N 1.871 122.167 120.300 -0.007 0.000 2.326 164 Y HA 0.601 5.152 4.550 0.001 0.000 0.337 164 Y C -0.312 175.413 175.900 -0.291 0.000 1.023 164 Y CA -0.588 57.430 58.100 -0.136 0.000 1.143 164 Y CB 0.973 39.316 38.460 -0.195 0.000 1.183 164 Y HN 0.539 nan 8.280 nan 0.000 0.485 165 F N 5.256 125.070 119.950 -0.226 0.000 2.415 165 F HA 0.587 5.115 4.527 0.001 0.000 0.348 165 F C -0.595 174.829 175.800 -0.628 0.000 1.119 165 F CA -1.162 56.635 58.000 -0.339 0.000 1.069 165 F CB 0.691 39.622 39.000 -0.114 0.000 1.124 165 F HN 0.226 nan 8.300 nan 0.000 0.472 166 V N 3.548 122.664 119.914 -1.331 0.000 2.472 166 V HA 0.409 4.529 4.120 0.001 0.000 0.290 166 V C 0.994 176.239 176.094 -1.415 0.000 1.037 166 V CA -0.518 60.829 62.300 -1.587 0.000 0.908 166 V CB 1.600 32.087 31.823 -2.225 0.000 0.985 166 V HN 0.994 nan 8.190 nan 0.000 0.454 167 E N 3.493 123.076 120.200 -1.028 0.000 2.085 167 E HA -0.213 4.137 4.350 0.001 0.000 0.194 167 E C 1.440 177.953 176.600 -0.144 0.000 0.994 167 E CA 2.564 58.772 56.400 -0.320 0.000 0.801 167 E CB -0.106 29.649 29.700 0.092 0.000 0.743 167 E HN 1.005 nan 8.360 nan 0.000 0.453 168 W N -0.751 120.510 121.300 -0.065 0.000 3.180 168 W HA 0.369 5.030 4.660 0.001 0.000 0.254 168 W C 1.475 177.967 176.519 -0.046 0.000 1.318 168 W CA 0.112 57.517 57.345 0.101 0.000 1.608 168 W CB -0.548 28.984 29.460 0.121 0.000 1.124 168 W HN -0.026 nan 8.180 nan 0.000 0.694 169 G N 2.376 110.812 108.800 -0.607 0.000 2.598 169 G HA2 -0.184 3.776 3.960 0.001 0.000 0.215 169 G HA3 -0.184 3.776 3.960 0.001 0.000 0.215 169 G C 1.332 176.063 174.900 -0.280 0.000 1.131 169 G CA 1.010 45.771 45.100 -0.565 0.000 0.785 169 G HN 0.633 nan 8.290 nan 0.000 0.539 170 I N -3.671 116.750 120.570 -0.248 0.000 3.428 170 I HA 0.242 4.412 4.170 0.001 0.000 0.286 170 I C 1.684 177.706 176.117 -0.159 0.000 1.287 170 I CA -0.134 61.070 61.300 -0.161 0.000 1.396 170 I CB -0.148 37.786 38.000 -0.110 0.000 1.062 170 I HN -0.009 nan 8.210 nan 0.000 0.471 171 Y N 2.049 122.407 120.300 0.097 0.000 3.173 171 Y HA 0.394 4.945 4.550 0.001 0.000 0.210 171 Y C 2.643 178.603 175.900 0.099 0.000 0.894 171 Y CA 1.089 59.263 58.100 0.123 0.000 0.986 171 Y CB -1.291 37.251 38.460 0.136 0.000 1.094 171 Y HN -0.090 nan 8.280 nan 0.000 0.463 172 G N -0.067 108.914 108.800 0.301 0.000 2.442 172 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 172 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 172 G C 1.541 176.576 174.900 0.224 0.000 1.141 172 G CA 0.926 46.208 45.100 0.302 0.000 0.763 172 G HN 0.314 nan 8.290 nan 0.000 0.554 173 R N -0.325 120.068 120.500 -0.179 0.000 2.235 173 R HA 0.038 4.378 4.340 0.001 0.000 0.213 173 R C 0.963 177.290 176.300 0.045 0.000 1.059 173 R CA 0.577 56.526 56.100 -0.252 0.000 0.997 173 R CB -0.097 29.853 30.300 -0.585 0.000 0.884 173 R HN 0.278 nan 8.270 nan 0.000 0.462 174 D N -0.699 119.745 120.400 0.075 0.000 2.686 174 D HA -0.274 4.366 4.640 0.001 0.000 0.235 174 D C -1.522 174.838 176.300 0.100 0.000 1.160 174 D CA 0.876 54.938 54.000 0.104 0.000 0.645 174 D CB -1.039 39.843 40.800 0.137 0.000 1.039 174 D HN 0.362 nan 8.370 nan 0.000 0.423 175 Y N 0.331 120.576 120.300 -0.091 0.000 2.326 175 Y HA 0.471 5.022 4.550 0.001 0.000 0.331 175 Y C 0.190 176.053 175.900 -0.062 0.000 0.962 175 Y CA -0.068 57.971 58.100 -0.101 0.000 1.167 175 Y CB 1.105 39.448 38.460 -0.194 0.000 1.148 175 Y HN 0.087 nan 8.280 nan 0.000 0.463 176 T N 0.622 115.036 114.554 -0.235 0.000 2.949 176 T HA 0.319 4.669 4.350 0.001 0.000 0.287 176 T C 0.884 175.487 174.700 -0.161 0.000 1.034 176 T CA -0.712 61.309 62.100 -0.131 0.000 1.018 176 T CB 1.337 69.997 68.868 -0.346 0.000 1.135 176 T HN 0.356 nan 8.240 nan 0.000 0.532 177 V N 1.803 121.528 119.914 -0.314 0.000 2.380 177 V HA -0.201 3.919 4.120 0.001 0.000 0.251 177 V C 2.597 178.474 176.094 -0.361 0.000 1.063 177 V CA 2.438 64.434 62.300 -0.507 0.000 1.055 177 V CB -0.910 30.538 31.823 -0.625 0.000 0.657 177 V HN 1.064 nan 8.190 nan 0.000 0.455 178 D N -0.437 119.747 120.400 -0.361 0.000 2.378 178 D HA -0.162 4.478 4.640 0.001 0.000 0.222 178 D C 1.429 177.574 176.300 -0.258 0.000 0.980 178 D CA 0.744 54.575 54.000 -0.281 0.000 0.907 178 D CB -0.488 40.153 40.800 -0.264 0.000 0.899 178 D HN 0.412 nan 8.370 nan 0.000 0.527 179 N N 0.051 118.532 118.700 -0.365 0.000 2.446 179 N HA 0.036 4.777 4.740 0.001 0.000 0.179 179 N C 0.760 176.140 175.510 -0.217 0.000 1.054 179 N CA 0.135 52.926 53.050 -0.432 0.000 0.905 179 N CB 0.040 37.935 38.487 -0.986 0.000 0.973 179 N HN 0.329 nan 8.380 nan 0.000 0.448 180 M N 2.339 121.880 119.600 -0.098 0.000 2.238 180 M HA 0.074 4.554 4.480 0.001 0.000 0.350 180 M C -1.936 174.392 176.300 0.046 0.000 1.321 180 M CA -1.085 54.276 55.300 0.102 0.000 1.097 180 M CB 0.652 33.308 32.600 0.093 0.000 1.713 180 M HN -0.202 nan 8.290 nan 0.000 0.455 181 P HA 0.034 nan 4.420 nan 0.000 0.237 181 P C 0.876 178.209 177.300 0.054 0.000 1.788 181 P CA -0.059 63.078 63.100 0.061 0.000 1.061 181 P CB -0.647 31.108 31.700 0.091 0.000 1.967 182 V N -1.130 118.795 119.914 0.019 0.000 2.594 182 V HA -0.181 3.940 4.120 0.001 0.000 0.253 182 V C 1.451 177.560 176.094 0.024 0.000 1.069 182 V CA 1.653 63.960 62.300 0.012 0.000 1.082 182 V CB -1.199 30.605 31.823 -0.032 0.000 0.680 182 V HN 0.103 nan 8.190 nan 0.000 0.469 183 D N 1.183 121.593 120.400 0.017 0.000 2.310 183 D HA -0.064 4.576 4.640 0.001 0.000 0.212 183 D C 1.270 177.600 176.300 0.050 0.000 0.965 183 D CA 1.046 55.058 54.000 0.021 0.000 0.879 183 D CB -0.332 40.467 40.800 -0.002 0.000 0.921 183 D HN 0.530 nan 8.370 nan 0.000 0.510 184 N N -0.148 118.595 118.700 0.071 0.000 2.251 184 N HA 0.176 4.916 4.740 0.001 0.000 0.217 184 N C -0.361 175.342 175.510 0.321 0.000 1.124 184 N CA 0.053 53.182 53.050 0.132 0.000 0.843 184 N CB 0.860 39.375 38.487 0.046 0.000 1.024 184 N HN 0.167 nan 8.380 nan 0.000 0.501 185 L N -0.541 120.793 121.223 0.186 0.000 2.401 185 L HA 0.385 4.726 4.340 0.001 0.000 0.266 185 L C 1.230 178.167 176.870 0.112 0.000 0.991 185 L CA -0.448 54.485 54.840 0.155 0.000 0.818 185 L CB 2.276 44.404 42.059 0.114 0.000 1.321 185 L HN -0.040 nan 8.230 nan 0.000 0.413 186 T N -3.344 111.286 114.554 0.127 0.000 3.034 186 T HA 0.168 4.519 4.350 0.001 0.000 0.248 186 T C 0.352 174.995 174.700 -0.095 0.000 1.040 186 T CA 0.410 62.549 62.100 0.065 0.000 1.107 186 T CB 0.002 68.980 68.868 0.182 0.000 0.932 186 T HN 0.511 nan 8.240 nan 0.000 0.474 187 H N -0.241 118.858 119.070 0.047 0.000 2.689 187 H HA 0.642 5.198 4.556 0.001 0.000 0.346 187 H C -1.215 174.115 175.328 0.003 0.000 1.037 187 H CA -0.794 55.278 56.048 0.039 0.000 1.234 187 H CB 1.573 31.368 29.762 0.055 0.000 1.572 187 H HN 0.182 nan 8.280 nan 0.000 0.524 188 I N 4.343 124.969 120.570 0.093 0.000 2.355 188 I HA 0.213 4.383 4.170 0.001 0.000 0.288 188 I C -0.639 175.505 176.117 0.045 0.000 0.999 188 I CA -0.456 60.878 61.300 0.057 0.000 1.163 188 I CB 1.098 39.134 38.000 0.059 0.000 1.316 188 I HN 0.300 nan 8.210 nan 0.000 0.454 189 L N 6.882 128.028 121.223 -0.128 0.000 2.264 189 L HA 0.319 4.659 4.340 0.001 0.000 0.289 189 L C -0.766 176.095 176.870 -0.015 0.000 1.044 189 L CA -0.601 54.102 54.840 -0.228 0.000 0.807 189 L CB 0.673 42.189 42.059 -0.905 0.000 1.192 189 L HN 0.488 nan 8.230 nan 0.000 0.425 190 Y N 2.873 123.219 120.300 0.078 0.000 2.454 190 Y HA 0.547 5.097 4.550 0.001 0.000 0.345 190 Y C 0.574 176.561 175.900 0.145 0.000 0.970 190 Y CA -0.572 57.641 58.100 0.188 0.000 1.204 190 Y CB 1.214 39.889 38.460 0.359 0.000 1.122 190 Y HN 0.546 nan 8.280 nan 0.000 0.514 191 G N 5.417 114.017 108.800 -0.332 0.000 2.356 191 G HA2 0.532 4.492 3.960 0.001 0.000 0.322 191 G HA3 0.532 4.492 3.960 0.001 0.000 0.322 191 G C -1.775 172.915 174.900 -0.350 0.000 1.125 191 G CA -0.323 44.391 45.100 -0.643 0.000 0.885 191 G HN 0.476 nan 8.290 nan 0.000 0.467 192 F N 0.765 120.964 119.950 0.415 0.000 2.588 192 F HA 0.469 4.996 4.527 0.000 0.000 0.310 192 F C -0.198 175.841 175.800 0.399 0.000 1.082 192 F CA -1.194 57.066 58.000 0.434 0.000 0.929 192 F CB 2.225 41.495 39.000 0.451 0.000 1.254 192 F HN 0.145 nan 8.300 nan 0.000 0.455 193 I N 4.949 125.837 120.570 0.529 0.000 2.304 193 I HA 0.276 4.446 4.170 0.001 0.000 0.291 193 I C -2.264 173.951 176.117 0.162 0.000 1.018 193 I CA -2.740 58.732 61.300 0.287 0.000 1.260 193 I CB 0.619 38.658 38.000 0.065 0.000 1.390 193 I HN 0.213 nan 8.210 nan 0.000 0.475 194 P HA 0.411 nan 4.420 nan 0.000 0.276 194 P C -0.599 176.621 177.300 -0.133 0.000 1.252 194 P CA -0.408 62.645 63.100 -0.077 0.000 0.802 194 P CB 1.510 33.089 31.700 -0.202 0.000 1.035 195 I N 0.655 121.101 120.570 -0.207 0.000 2.406 195 I HA 0.234 4.405 4.170 0.001 0.000 0.290 195 I C 0.323 176.309 176.117 -0.218 0.000 0.999 195 I CA -0.865 60.323 61.300 -0.187 0.000 1.124 195 I CB 1.258 39.081 38.000 -0.293 0.000 1.289 195 I HN 0.235 nan 8.210 nan 0.000 0.441 196 c N 5.165 123.651 118.600 -0.190 0.000 2.657 196 c HA 0.634 5.204 4.570 0.001 0.000 0.420 196 c C 1.155 175.043 174.090 -0.335 0.000 1.323 196 c CA 0.640 56.831 56.329 -0.230 0.000 1.894 196 c CB -0.821 41.579 42.510 -0.183 0.000 2.681 196 c HN 1.108 nan 8.230 nan 0.000 0.613 197 G N 3.812 112.424 108.800 -0.314 0.000 2.247 197 G HA2 0.117 4.077 3.960 0.001 0.000 0.229 197 G HA3 0.117 4.077 3.960 0.001 0.000 0.229 197 G C -3.209 171.575 174.900 -0.194 0.000 1.345 197 G CA -0.819 44.064 45.100 -0.361 0.000 1.100 197 G HN 0.468 nan 8.290 nan 0.000 0.473 198 P HA 0.292 nan 4.420 nan 0.000 0.266 198 P C -0.732 176.547 177.300 -0.035 0.000 1.215 198 P CA 0.182 63.261 63.100 -0.036 0.000 0.763 198 P CB 0.446 32.145 31.700 -0.001 0.000 0.806 199 N N 2.489 121.218 118.700 0.047 0.000 2.545 199 N HA 0.000 4.741 4.740 0.001 0.000 0.283 199 N C 0.676 176.294 175.510 0.180 0.000 1.596 199 N CA -0.209 52.880 53.050 0.065 0.000 0.862 199 N CB 0.586 39.078 38.487 0.007 0.000 1.422 199 N HN 0.306 nan 8.380 nan 0.000 0.489 200 E N 0.437 120.678 120.200 0.070 0.000 2.160 200 E HA -0.051 4.299 4.350 0.001 0.000 0.195 200 E C 1.271 177.827 176.600 -0.072 0.000 0.991 200 E CA 0.890 57.258 56.400 -0.054 0.000 0.810 200 E CB 0.099 29.745 29.700 -0.091 0.000 0.742 200 E HN 0.173 nan 8.360 nan 0.000 0.466 201 S N 0.500 116.166 115.700 -0.057 0.000 2.442 201 S HA -0.090 4.380 4.470 0.001 0.000 0.236 201 S C 2.129 176.714 174.600 -0.026 0.000 1.007 201 S CA 0.647 58.796 58.200 -0.084 0.000 0.965 201 S CB -0.082 63.014 63.200 -0.174 0.000 0.773 201 S HN 0.083 nan 8.310 nan 0.000 0.504 202 V N 1.869 121.810 119.914 0.046 0.000 2.490 202 V HA -0.173 3.948 4.120 0.001 0.000 0.250 202 V C 2.102 178.260 176.094 0.107 0.000 1.061 202 V CA 1.449 63.821 62.300 0.120 0.000 1.064 202 V CB -0.551 31.417 31.823 0.240 0.000 0.670 202 V HN 0.469 nan 8.190 nan 0.000 0.461 203 K N 1.068 121.484 120.400 0.026 0.000 2.281 203 K HA -0.153 4.167 4.320 0.001 0.000 0.203 203 K C 2.284 178.873 176.600 -0.019 0.000 1.046 203 K CA 1.593 57.848 56.287 -0.052 0.000 0.938 203 K CB -0.314 32.050 32.500 -0.228 0.000 0.737 203 K HN 0.669 nan 8.250 nan 0.000 0.458 204 S N 0.228 115.928 115.700 0.000 0.000 2.474 204 S HA -0.062 4.408 4.470 0.001 0.000 0.235 204 S C 1.980 176.599 174.600 0.032 0.000 0.997 204 S CA 0.694 58.909 58.200 0.026 0.000 0.949 204 S CB -0.278 62.959 63.200 0.062 0.000 0.766 204 S HN 0.007 nan 8.310 nan 0.000 0.517 205 V N 1.688 121.616 119.914 0.024 0.000 2.453 205 V HA 0.197 4.317 4.120 0.001 0.000 0.247 205 V C 2.021 178.106 176.094 -0.015 0.000 1.048 205 V CA 1.014 63.309 62.300 -0.009 0.000 1.049 205 V CB -1.965 29.838 31.823 -0.035 0.000 0.672 205 V HN 0.903 nan 8.190 nan 0.000 0.457 206 G N -0.304 108.498 108.800 0.003 0.000 2.562 206 G HA2 0.097 4.057 3.960 0.001 0.000 0.250 206 G HA3 0.097 4.057 3.960 0.001 0.000 0.250 206 G C 0.860 175.753 174.900 -0.012 0.000 1.269 206 G CA -0.156 44.945 45.100 0.000 0.000 0.919 206 G HN 1.757 nan 8.290 nan 0.000 0.574 207 G N -0.692 108.094 108.800 -0.023 0.000 2.233 207 G HA2 -0.053 3.908 3.960 0.001 0.000 0.270 207 G HA3 -0.053 3.908 3.960 0.001 0.000 0.270 207 G C 0.893 175.771 174.900 -0.036 0.000 1.011 207 G CA 1.824 46.896 45.100 -0.047 0.000 0.762 207 G HN 2.689 nan 8.290 nan 0.000 0.511 208 N N -1.719 116.985 118.700 0.006 0.000 2.741 208 N HA -0.201 4.539 4.740 0.001 0.000 0.251 208 N C 1.458 177.010 175.510 0.070 0.000 1.112 208 N CA 1.689 54.763 53.050 0.039 0.000 0.750 208 N CB -1.364 37.132 38.487 0.015 0.000 1.119 208 N HN 0.581 nan 8.380 nan 0.000 0.561 209 S N -1.063 114.681 115.700 0.074 0.000 2.402 209 S HA -0.036 4.435 4.470 0.001 0.000 0.229 209 S C 1.430 176.191 174.600 0.270 0.000 1.021 209 S CA 1.004 59.277 58.200 0.121 0.000 0.974 209 S CB -0.207 63.030 63.200 0.062 0.000 0.800 209 S HN 0.526 nan 8.310 nan 0.000 0.484 210 F N 2.946 122.946 119.950 0.083 0.000 2.075 210 F HA -0.162 4.366 4.527 0.001 0.000 0.297 210 F C 2.163 177.995 175.800 0.054 0.000 1.113 210 F CA 1.694 59.726 58.000 0.055 0.000 1.218 210 F CB -0.488 38.521 39.000 0.015 0.000 0.984 210 F HN 0.180 nan 8.300 nan 0.000 0.472 211 N N 0.415 119.194 118.700 0.132 0.000 2.104 211 N HA -0.203 4.538 4.740 0.001 0.000 0.190 211 N C 1.830 177.335 175.510 -0.009 0.000 1.024 211 N CA 1.543 54.611 53.050 0.029 0.000 0.853 211 N CB -0.395 38.146 38.487 0.090 0.000 1.008 211 N HN 0.352 nan 8.380 nan 0.000 0.424 212 A N 0.207 123.066 122.820 0.065 0.000 1.908 212 A HA -0.111 4.209 4.320 0.001 0.000 0.218 212 A C 2.112 179.762 177.584 0.109 0.000 1.181 212 A CA 1.291 53.398 52.037 0.115 0.000 0.627 212 A CB -0.899 18.200 19.000 0.165 0.000 0.818 212 A HN 0.412 nan 8.150 nan 0.000 0.445 213 L N -0.554 120.689 121.223 0.034 0.000 2.056 213 L HA -0.154 4.186 4.340 0.001 0.000 0.207 213 L C 2.404 179.140 176.870 -0.223 0.000 1.078 213 L CA 2.052 56.776 54.840 -0.193 0.000 0.749 213 L CB -0.725 41.094 42.059 -0.400 0.000 0.901 213 L HN 0.348 nan 8.230 nan 0.000 0.433 214 Q N -0.720 118.894 119.800 -0.310 0.000 2.096 214 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 214 Q C 2.172 178.108 176.000 -0.106 0.000 0.982 214 Q CA 2.266 57.915 55.803 -0.258 0.000 0.850 214 Q CB -1.190 27.381 28.738 -0.278 0.000 0.901 214 Q HN 0.514 nan 8.270 nan 0.000 0.422 215 T N 1.500 116.024 114.554 -0.049 0.000 2.708 215 T HA -0.118 4.233 4.350 0.001 0.000 0.266 215 T C 1.860 176.588 174.700 0.047 0.000 1.037 215 T CA 1.668 63.775 62.100 0.012 0.000 1.146 215 T CB -0.369 68.523 68.868 0.039 0.000 0.865 215 T HN 0.455 nan 8.240 nan 0.000 0.435 216 A N 0.251 123.110 122.820 0.065 0.000 1.978 216 A HA -0.117 4.204 4.320 0.001 0.000 0.220 216 A C 2.467 180.110 177.584 0.098 0.000 1.170 216 A CA 1.391 53.505 52.037 0.128 0.000 0.636 216 A CB -1.059 18.029 19.000 0.146 0.000 0.810 216 A HN 0.643 nan 8.150 nan 0.000 0.448 217 c N -0.768 117.835 118.600 0.006 0.000 2.618 217 c HA 0.216 4.786 4.570 0.001 0.000 0.264 217 c C 1.220 175.307 174.090 -0.005 0.000 1.334 217 c CA -0.721 55.593 56.329 -0.024 0.000 1.731 217 c CB -1.400 41.047 42.510 -0.105 0.000 1.852 217 c HN 0.414 nan 8.230 nan 0.000 0.566 218 R N 0.915 121.422 120.500 0.013 0.000 2.458 218 R HA 0.352 4.692 4.340 0.001 0.000 0.303 218 R C 1.329 177.656 176.300 0.045 0.000 1.013 218 R CA 1.144 57.256 56.100 0.019 0.000 1.026 218 R CB -0.086 30.227 30.300 0.023 0.000 0.948 218 R HN 0.539 nan 8.270 nan 0.000 0.417 219 G N 1.496 110.316 108.800 0.034 0.000 2.143 219 G HA2 -0.247 3.713 3.960 0.001 0.000 0.249 219 G HA3 -0.247 3.713 3.960 0.001 0.000 0.249 219 G C -0.120 174.814 174.900 0.057 0.000 0.981 219 G CA -0.029 45.098 45.100 0.046 0.000 0.665 219 G HN 0.451 nan 8.290 nan 0.000 0.528 220 V N 1.203 121.141 119.914 0.040 0.000 2.540 220 V HA 0.469 4.589 4.120 0.001 0.000 0.302 220 V C 0.071 176.158 176.094 -0.011 0.000 1.035 220 V CA -1.553 60.766 62.300 0.033 0.000 0.873 220 V CB 1.756 33.601 31.823 0.037 0.000 0.992 220 V HN 0.288 nan 8.190 nan 0.000 0.428 221 N N 2.285 120.980 118.700 -0.007 0.000 2.508 221 N HA 0.130 4.870 4.740 0.001 0.000 0.264 221 N C -0.331 175.129 175.510 -0.083 0.000 1.216 221 N CA -0.328 52.705 53.050 -0.027 0.000 0.943 221 N CB 0.543 39.034 38.487 0.007 0.000 1.113 221 N HN 0.617 nan 8.380 nan 0.000 0.447 222 D N 0.425 120.728 120.400 -0.161 0.000 2.506 222 D HA -0.068 4.573 4.640 0.001 0.000 0.234 222 D C 0.422 176.520 176.300 -0.337 0.000 1.143 222 D CA 0.809 54.554 54.000 -0.424 0.000 0.871 222 D CB 0.064 40.470 40.800 -0.656 0.000 1.190 222 D HN 0.526 nan 8.370 nan 0.000 0.459 223 Y N -1.926 118.372 120.300 -0.002 0.000 4.929 223 Y HA -0.278 4.273 4.550 0.001 0.000 0.252 223 Y C 0.474 176.445 175.900 0.119 0.000 0.950 223 Y CA 0.500 58.634 58.100 0.057 0.000 1.935 223 Y CB -1.769 36.714 38.460 0.039 0.000 1.440 223 Y HN 0.400 nan 8.280 nan 0.000 0.567 224 E N 0.981 121.239 120.200 0.096 0.000 2.242 224 E HA 0.525 4.875 4.350 0.001 0.000 0.275 224 E C 0.135 176.723 176.600 -0.020 0.000 1.002 224 E CA -0.581 55.848 56.400 0.048 0.000 0.841 224 E CB 2.043 31.743 29.700 0.001 0.000 1.109 224 E HN 0.165 nan 8.360 nan 0.000 0.394 225 V N 0.289 120.152 119.914 -0.086 0.000 2.834 225 V HA 0.535 4.655 4.120 0.001 0.000 0.301 225 V C 0.234 176.126 176.094 -0.337 0.000 1.066 225 V CA -0.519 61.660 62.300 -0.202 0.000 1.052 225 V CB 0.832 32.433 31.823 -0.370 0.000 1.021 225 V HN 0.491 nan 8.190 nan 0.000 0.480 226 V N 1.179 120.906 119.914 -0.311 0.000 3.182 226 V HA 0.645 4.765 4.120 0.001 0.000 0.308 226 V C -0.321 175.768 176.094 -0.009 0.000 1.240 226 V CA -1.135 60.938 62.300 -0.379 0.000 1.063 226 V CB 1.884 33.616 31.823 -0.152 0.000 1.076 226 V HN 0.872 nan 8.190 nan 0.000 0.446 227 I N 1.555 122.316 120.570 0.318 0.000 2.342 227 I HA 0.344 4.514 4.170 0.001 0.000 0.291 227 I C 1.318 177.665 176.117 0.382 0.000 1.010 227 I CA -0.436 61.138 61.300 0.456 0.000 1.308 227 I CB 1.027 39.376 38.000 0.582 0.000 1.400 227 I HN 0.819 nan 8.210 nan 0.000 0.488 228 H N 4.238 123.461 119.070 0.255 0.000 2.363 228 H HA -0.018 4.538 4.556 0.001 0.000 0.301 228 H C 0.222 175.670 175.328 0.199 0.000 1.074 228 H CA 1.354 57.525 56.048 0.205 0.000 1.354 228 H CB 0.312 30.212 29.762 0.230 0.000 1.397 228 H HN 0.486 nan 8.280 nan 0.000 0.516 229 D N 0.100 120.702 120.400 0.336 0.000 2.412 229 D HA 0.136 4.776 4.640 0.001 0.000 0.276 229 D C -1.913 174.459 176.300 0.119 0.000 1.196 229 D CA -2.081 52.059 54.000 0.232 0.000 0.905 229 D CB 1.195 42.156 40.800 0.268 0.000 1.081 229 D HN 0.113 nan 8.370 nan 0.000 0.502 230 P HA -0.124 nan 4.420 nan 0.000 0.218 230 P C 1.775 178.808 177.300 -0.445 0.000 1.148 230 P CA 0.555 63.425 63.100 -0.384 0.000 0.822 230 P CB 0.064 31.618 31.700 -0.243 0.000 0.784 231 W N 1.589 122.756 121.300 -0.221 0.000 2.332 231 W HA -0.212 4.448 4.660 0.001 0.000 0.321 231 W C 2.067 178.524 176.519 -0.102 0.000 1.219 231 W CA 2.036 59.302 57.345 -0.131 0.000 1.277 231 W CB -0.840 28.626 29.460 0.010 0.000 1.161 231 W HN -0.049 nan 8.180 nan 0.000 0.476 232 A N 0.914 123.700 122.820 -0.057 0.000 1.902 232 A HA -0.064 4.256 4.320 0.001 0.000 0.217 232 A C 2.155 179.673 177.584 -0.111 0.000 1.181 232 A CA 2.685 54.650 52.037 -0.120 0.000 0.623 232 A CB -1.325 17.743 19.000 0.113 0.000 0.818 232 A HN 0.387 nan 8.150 nan 0.000 0.443 233 A N -0.980 121.731 122.820 -0.181 0.000 1.855 233 A HA 0.086 4.406 4.320 0.001 0.000 0.215 233 A C 1.803 179.168 177.584 -0.365 0.000 1.191 233 A CA 1.788 53.595 52.037 -0.382 0.000 0.613 233 A CB -0.516 18.115 19.000 -0.614 0.000 0.829 233 A HN 1.273 nan 8.150 nan 0.000 0.442 234 Y N -3.580 116.558 120.300 -0.271 0.000 2.729 234 Y HA 0.453 5.004 4.550 0.001 0.000 0.266 234 Y C 1.470 177.269 175.900 -0.168 0.000 1.064 234 Y CA -0.005 57.987 58.100 -0.180 0.000 1.251 234 Y CB -0.103 38.309 38.460 -0.079 0.000 1.379 234 Y HN 0.219 nan 8.280 nan 0.000 0.569 235 Q N 1.261 120.859 119.800 -0.336 0.000 2.324 235 Q HA 0.107 4.447 4.340 0.001 0.000 0.207 235 Q C 0.390 176.021 176.000 -0.615 0.000 0.928 235 Q CA 0.032 55.675 55.803 -0.268 0.000 0.890 235 Q CB 0.534 29.247 28.738 -0.042 0.000 1.001 235 Q HN 0.291 nan 8.270 nan 0.000 0.517 236 K N 1.877 121.552 120.400 -1.207 0.000 2.447 236 K HA 0.039 4.359 4.320 0.001 0.000 0.281 236 K C -0.547 175.557 176.600 -0.828 0.000 1.031 236 K CA 0.074 55.392 56.287 -1.615 0.000 1.019 236 K CB 0.672 32.097 32.500 -1.791 0.000 0.918 236 K HN -0.139 nan 8.250 nan 0.000 0.476 237 S N 4.827 120.200 115.700 -0.546 0.000 2.422 237 S HA 0.264 4.734 4.470 0.001 0.000 0.283 237 S C -0.975 173.472 174.600 -0.255 0.000 1.163 237 S CA -0.654 57.442 58.200 -0.174 0.000 1.054 237 S CB -0.150 63.040 63.200 -0.016 0.000 0.967 237 S HN 0.444 nan 8.310 nan 0.000 0.499 238 F N 7.314 127.358 119.950 0.156 0.000 2.385 238 F HA 0.365 4.892 4.527 0.000 0.000 0.360 238 F C -1.088 174.591 175.800 -0.202 0.000 1.122 238 F CA -2.002 55.949 58.000 -0.082 0.000 1.090 238 F CB 1.699 40.602 39.000 -0.162 0.000 1.150 238 F HN 0.463 nan 8.300 nan 0.000 0.472 239 P HA -0.231 nan 4.420 nan 0.000 0.218 239 P C 1.165 178.435 177.300 -0.051 0.000 1.149 239 P CA 1.325 64.425 63.100 0.000 0.000 0.817 239 P CB 0.116 31.831 31.700 0.023 0.000 0.785 240 Q N -0.066 119.704 119.800 -0.050 0.000 2.437 240 Q HA -0.003 4.338 4.340 0.001 0.000 0.210 240 Q C 1.419 177.314 176.000 -0.175 0.000 0.972 240 Q CA 1.598 57.341 55.803 -0.100 0.000 0.903 240 Q CB -0.757 27.919 28.738 -0.104 0.000 0.967 240 Q HN 0.197 nan 8.270 nan 0.000 0.486 241 A N 0.264 122.915 122.820 -0.282 0.000 2.470 241 A HA 0.532 4.852 4.320 0.001 0.000 0.251 241 A C 1.291 178.666 177.584 -0.348 0.000 1.245 241 A CA 0.312 52.107 52.037 -0.404 0.000 0.932 241 A CB 0.104 18.703 19.000 -0.669 0.000 1.037 241 A HN 0.510 nan 8.150 nan 0.000 0.522 242 G N 0.296 108.970 108.800 -0.210 0.000 2.198 242 G HA2 -0.244 3.716 3.960 0.001 0.000 0.260 242 G HA3 -0.244 3.716 3.960 0.001 0.000 0.260 242 G C -0.099 174.837 174.900 0.060 0.000 1.025 242 G CA 0.295 45.360 45.100 -0.058 0.000 0.769 242 G HN 0.649 nan 8.290 nan 0.000 0.507 243 H N 1.079 120.169 119.070 0.034 0.000 2.764 243 H HA 0.496 5.052 4.556 0.000 0.000 0.341 243 H C 0.957 176.307 175.328 0.035 0.000 1.072 243 H CA 0.604 56.670 56.048 0.031 0.000 1.444 243 H CB 0.804 30.580 29.762 0.023 0.000 1.458 243 H HN 0.829 nan 8.280 nan 0.000 0.572 244 E N 1.289 121.591 120.200 0.169 0.000 2.446 244 E HA 0.116 4.466 4.350 0.001 0.000 0.267 244 E C 0.117 176.797 176.600 0.134 0.000 0.955 244 E CA -0.968 55.516 56.400 0.140 0.000 0.842 244 E CB 0.854 30.628 29.700 0.123 0.000 1.504 244 E HN 0.386 nan 8.360 nan 0.000 0.438 245 Y N 1.492 121.819 120.300 0.045 0.000 2.165 245 Y HA -0.225 4.326 4.550 0.000 0.000 0.286 245 Y C 2.346 178.264 175.900 0.029 0.000 1.155 245 Y CA 2.731 60.855 58.100 0.040 0.000 1.164 245 Y CB 0.040 38.523 38.460 0.038 0.000 0.978 245 Y HN 0.569 nan 8.280 nan 0.000 0.513 246 S N -1.649 114.101 115.700 0.084 0.000 2.562 246 S HA 0.038 4.509 4.470 0.001 0.000 0.221 246 S C 0.717 175.290 174.600 -0.044 0.000 0.975 246 S CA 0.203 58.401 58.200 -0.002 0.000 0.918 246 S CB -0.952 62.288 63.200 0.066 0.000 0.772 246 S HN 0.261 nan 8.310 nan 0.000 0.531 247 T N 5.517 120.055 114.554 -0.027 0.000 2.829 247 T HA 0.162 4.513 4.350 0.001 0.000 0.293 247 T C -1.369 173.294 174.700 -0.061 0.000 0.970 247 T CA -0.747 61.341 62.100 -0.020 0.000 1.168 247 T CB 1.047 69.910 68.868 -0.009 0.000 0.911 247 T HN 0.309 nan 8.240 nan 0.000 0.535 248 P HA 0.119 nan 4.420 nan 0.000 0.225 248 P C 0.040 177.331 177.300 -0.015 0.000 1.156 248 P CA 0.688 63.760 63.100 -0.047 0.000 0.787 248 P CB 0.279 31.941 31.700 -0.064 0.000 0.802 249 I N -1.087 119.489 120.570 0.010 0.000 2.534 249 I HA 0.346 4.516 4.170 0.001 0.000 0.288 249 I C 0.363 176.404 176.117 -0.127 0.000 1.077 249 I CA -0.770 60.557 61.300 0.045 0.000 1.051 249 I CB 2.671 40.772 38.000 0.167 0.000 1.234 249 I HN -0.286 nan 8.210 nan 0.000 0.425 250 K N 2.808 123.105 120.400 -0.172 0.000 1.884 250 K HA 0.838 5.158 4.320 0.001 0.000 0.250 250 K C 0.252 176.765 176.600 -0.145 0.000 1.009 250 K CA -0.578 55.401 56.287 -0.514 0.000 0.925 250 K CB 1.142 33.340 32.500 -0.504 0.000 1.839 250 K HN 0.784 nan 8.250 nan 0.000 0.735 251 G N 1.052 109.825 108.800 -0.043 0.000 2.692 251 G HA2 -0.287 3.673 3.960 0.001 0.000 0.248 251 G HA3 -0.287 3.673 3.960 0.001 0.000 0.248 251 G C 0.257 175.318 174.900 0.268 0.000 1.340 251 G CA 0.318 45.487 45.100 0.115 0.000 0.896 251 G HN 0.599 nan 8.290 nan 0.000 0.570 252 N N -1.169 117.645 118.700 0.191 0.000 2.104 252 N HA -0.112 4.629 4.740 0.001 0.000 0.190 252 N C 1.943 177.412 175.510 -0.068 0.000 1.024 252 N CA 2.155 55.241 53.050 0.061 0.000 0.853 252 N CB -0.440 38.214 38.487 0.278 0.000 1.008 252 N HN 0.546 nan 8.380 nan 0.000 0.424 253 Y N 1.271 121.377 120.300 -0.322 0.000 2.145 253 Y HA -0.041 4.509 4.550 0.001 0.000 0.286 253 Y C 2.463 178.009 175.900 -0.591 0.000 1.145 253 Y CA 0.553 58.285 58.100 -0.615 0.000 1.148 253 Y CB -1.033 37.144 38.460 -0.472 0.000 0.981 253 Y HN 0.040 nan 8.280 nan 0.000 0.507 254 A N -0.399 122.370 122.820 -0.085 0.000 1.933 254 A HA -0.214 4.106 4.320 0.001 0.000 0.218 254 A C 2.330 179.836 177.584 -0.130 0.000 1.175 254 A CA 1.870 53.873 52.037 -0.057 0.000 0.628 254 A CB -0.751 18.277 19.000 0.046 0.000 0.814 254 A HN 0.448 nan 8.150 nan 0.000 0.444 255 M N -0.877 118.632 119.600 -0.152 0.000 2.200 255 M HA -0.030 4.450 4.480 0.001 0.000 0.265 255 M C 2.041 178.117 176.300 -0.373 0.000 1.066 255 M CA 1.138 56.285 55.300 -0.254 0.000 1.127 255 M CB -0.439 31.960 32.600 -0.333 0.000 1.379 255 M HN 0.358 nan 8.290 nan 0.000 0.420 256 L N -0.331 120.572 121.223 -0.533 0.000 2.093 256 L HA -0.185 4.155 4.340 0.001 0.000 0.208 256 L C 2.536 179.045 176.870 -0.601 0.000 1.085 256 L CA 1.117 55.573 54.840 -0.640 0.000 0.755 256 L CB -0.470 41.030 42.059 -0.931 0.000 0.904 256 L HN 0.340 nan 8.230 nan 0.000 0.435 257 M N -0.620 118.567 119.600 -0.689 0.000 2.108 257 M HA -0.212 4.268 4.480 0.001 0.000 0.261 257 M C 2.476 178.638 176.300 -0.230 0.000 1.066 257 M CA 2.017 57.089 55.300 -0.381 0.000 1.107 257 M CB -0.489 31.953 32.600 -0.264 0.000 1.356 257 M HN 0.319 nan 8.290 nan 0.000 0.406 258 A N -0.177 122.501 122.820 -0.237 0.000 1.969 258 A HA -0.107 4.213 4.320 0.001 0.000 0.218 258 A C 2.048 179.528 177.584 -0.172 0.000 1.169 258 A CA 1.095 53.018 52.037 -0.189 0.000 0.635 258 A CB -0.643 18.250 19.000 -0.180 0.000 0.810 258 A HN 0.404 nan 8.150 nan 0.000 0.445 259 L N -0.400 120.702 121.223 -0.202 0.000 2.093 259 L HA -0.100 4.240 4.340 0.001 0.000 0.208 259 L C 2.115 178.909 176.870 -0.126 0.000 1.085 259 L CA 1.766 56.502 54.840 -0.173 0.000 0.755 259 L CB -0.349 41.583 42.059 -0.211 0.000 0.904 259 L HN 0.137 nan 8.230 nan 0.000 0.435 260 K N -0.508 119.819 120.400 -0.121 0.000 2.147 260 K HA -0.132 4.188 4.320 0.001 0.000 0.205 260 K C 2.005 178.567 176.600 -0.063 0.000 1.049 260 K CA 0.990 57.235 56.287 -0.070 0.000 0.936 260 K CB -0.264 32.216 32.500 -0.034 0.000 0.722 260 K HN 0.470 nan 8.250 nan 0.000 0.446 261 Q N 0.005 119.757 119.800 -0.079 0.000 2.172 261 Q HA -0.083 4.257 4.340 0.001 0.000 0.200 261 Q C 2.145 178.105 176.000 -0.067 0.000 0.964 261 Q CA 0.914 56.674 55.803 -0.070 0.000 0.855 261 Q CB -0.135 28.551 28.738 -0.088 0.000 0.918 261 Q HN 0.310 nan 8.270 nan 0.000 0.444 262 R N 0.727 121.181 120.500 -0.077 0.000 2.075 262 R HA -0.030 4.311 4.340 0.001 0.000 0.226 262 R C -0.195 176.072 176.300 -0.055 0.000 1.114 262 R CA 0.885 56.943 56.100 -0.069 0.000 0.972 262 R CB 0.307 30.557 30.300 -0.083 0.000 0.869 262 R HN 0.116 nan 8.270 nan 0.000 0.437 263 N N 0.971 119.638 118.700 -0.056 0.000 2.851 263 N HA 0.166 4.906 4.740 0.001 0.000 0.248 263 N C -2.203 173.284 175.510 -0.039 0.000 1.221 263 N CA -1.349 51.675 53.050 -0.042 0.000 0.847 263 N CB 1.903 40.365 38.487 -0.041 0.000 1.150 263 N HN 0.108 nan 8.380 nan 0.000 0.507 264 P HA -0.079 nan 4.420 nan 0.000 0.222 264 P C -0.009 177.273 177.300 -0.030 0.000 1.147 264 P CA 1.107 64.189 63.100 -0.030 0.000 0.790 264 P CB 0.557 32.243 31.700 -0.023 0.000 0.780 265 D N -0.624 119.759 120.400 -0.028 0.000 2.348 265 D HA 0.032 4.672 4.640 0.001 0.000 0.211 265 D C 0.953 177.223 176.300 -0.051 0.000 0.998 265 D CA -0.023 53.959 54.000 -0.029 0.000 0.873 265 D CB -0.183 40.610 40.800 -0.012 0.000 0.925 265 D HN 0.159 nan 8.370 nan 0.000 0.524 266 L N 1.765 122.956 121.223 -0.053 0.000 2.490 266 L HA 0.041 4.382 4.340 0.001 0.000 0.274 266 L C 0.029 176.839 176.870 -0.099 0.000 1.201 266 L CA 0.225 55.020 54.840 -0.075 0.000 0.869 266 L CB 0.426 42.454 42.059 -0.052 0.000 1.123 266 L HN -0.329 nan 8.230 nan 0.000 0.484 267 K N 7.152 127.444 120.400 -0.180 0.000 2.213 267 K HA 0.471 4.791 4.320 0.001 0.000 0.270 267 K C -0.901 175.684 176.600 -0.025 0.000 1.002 267 K CA -0.188 56.008 56.287 -0.151 0.000 0.868 267 K CB 1.358 33.639 32.500 -0.364 0.000 1.093 267 K HN 0.576 nan 8.250 nan 0.000 0.454 268 I N 4.736 125.349 120.570 0.071 0.000 2.389 268 I HA 0.427 4.597 4.170 0.001 0.000 0.288 268 I C -0.217 176.080 176.117 0.301 0.000 0.999 268 I CA -0.712 60.690 61.300 0.170 0.000 1.129 268 I CB 1.093 39.192 38.000 0.166 0.000 1.288 268 I HN 0.337 nan 8.210 nan 0.000 0.444 269 I N 7.977 128.728 120.570 0.301 0.000 2.498 269 I HA 0.382 4.553 4.170 0.001 0.000 0.290 269 I C -2.467 173.734 176.117 0.141 0.000 1.032 269 I CA -2.083 59.357 61.300 0.232 0.000 1.073 269 I CB 2.735 40.869 38.000 0.223 0.000 1.251 269 I HN 0.272 nan 8.210 nan 0.000 0.426 270 P HA 0.152 nan 4.420 nan 0.000 0.281 270 P C -0.771 176.587 177.300 0.097 0.000 1.252 270 P CA -0.328 62.656 63.100 -0.194 0.000 0.778 270 P CB 1.082 32.351 31.700 -0.719 0.000 0.895 271 S N 3.720 119.590 115.700 0.282 0.000 2.422 271 S HA 0.383 4.853 4.470 0.001 0.000 0.298 271 S C 0.499 175.418 174.600 0.532 0.000 1.118 271 S CA -0.501 57.962 58.200 0.438 0.000 1.083 271 S CB -0.237 63.334 63.200 0.617 0.000 0.971 271 S HN 0.306 nan 8.310 nan 0.000 0.478 272 I N 3.631 124.462 120.570 0.436 0.000 2.315 272 I HA 0.545 4.715 4.170 0.001 0.000 0.291 272 I C 1.102 177.471 176.117 0.420 0.000 1.006 272 I CA 0.080 61.614 61.300 0.391 0.000 1.265 272 I CB 0.648 38.887 38.000 0.399 0.000 1.387 272 I HN 0.882 nan 8.210 nan 0.000 0.475 273 G N 4.447 113.390 108.800 0.237 0.000 2.936 273 G HA2 0.223 4.183 3.960 0.001 0.000 0.237 273 G HA3 0.223 4.183 3.960 0.001 0.000 0.237 273 G C 0.170 174.829 174.900 -0.402 0.000 1.403 273 G CA -0.027 45.110 45.100 0.062 0.000 1.011 273 G HN 1.570 nan 8.290 nan 0.000 0.568 274 G N -2.089 106.421 108.800 -0.484 0.000 2.710 274 G HA2 0.049 4.009 3.960 0.001 0.000 0.668 274 G HA3 0.049 4.009 3.960 0.001 0.000 0.668 274 G C 0.786 175.439 174.900 -0.412 0.000 1.320 274 G CA 0.575 45.108 45.100 -0.944 0.000 0.860 274 G HN 1.986 nan 8.290 nan 0.000 0.538 275 W N 0.222 121.241 121.300 -0.468 0.000 2.318 275 W HA -0.207 4.453 4.660 0.000 0.000 0.313 275 W C 2.454 178.846 176.519 -0.212 0.000 1.221 275 W CA 3.631 60.794 57.345 -0.304 0.000 1.266 275 W CB -0.543 28.775 29.460 -0.237 0.000 1.150 275 W HN 1.019 nan 8.180 nan 0.000 0.496 276 T N -1.629 112.858 114.554 -0.112 0.000 3.067 276 T HA 0.061 4.411 4.350 0.001 0.000 0.257 276 T C 1.492 176.100 174.700 -0.154 0.000 1.105 276 T CA 0.480 62.503 62.100 -0.129 0.000 1.104 276 T CB -0.473 68.403 68.868 0.012 0.000 0.925 276 T HN 0.140 nan 8.240 nan 0.000 0.498 277 L N 0.913 122.022 121.223 -0.189 0.000 3.066 277 L HA 0.422 4.763 4.340 0.001 0.000 0.265 277 L C 1.629 178.348 176.870 -0.252 0.000 1.232 277 L CA -0.218 54.510 54.840 -0.186 0.000 1.031 277 L CB 0.417 42.397 42.059 -0.131 0.000 1.379 277 L HN 0.139 nan 8.230 nan 0.000 0.563 278 S N -0.506 115.062 115.700 -0.220 0.000 2.524 278 S HA -0.049 4.422 4.470 0.001 0.000 0.216 278 S C 1.180 175.630 174.600 -0.250 0.000 0.987 278 S CA 0.156 58.263 58.200 -0.155 0.000 0.909 278 S CB 0.066 63.230 63.200 -0.060 0.000 0.781 278 S HN 0.406 nan 8.310 nan 0.000 0.521 279 D N 2.377 122.681 120.400 -0.161 0.000 2.116 279 D HA -0.089 4.552 4.640 0.001 0.000 0.193 279 D C -0.877 175.368 176.300 -0.092 0.000 0.998 279 D CA 1.302 55.298 54.000 -0.007 0.000 0.836 279 D CB -1.635 39.144 40.800 -0.035 0.000 0.951 279 D HN 0.325 nan 8.370 nan 0.000 0.449 280 P HA -0.091 nan 4.420 nan 0.000 0.220 280 P C 1.191 178.128 177.300 -0.605 0.000 1.148 280 P CA 0.688 63.626 63.100 -0.270 0.000 0.803 280 P CB -0.129 31.376 31.700 -0.325 0.000 0.782 281 F N -1.854 117.415 119.950 -1.135 0.000 2.202 281 F HA -0.181 4.347 4.527 0.000 0.000 0.301 281 F C 1.992 176.841 175.800 -1.585 0.000 1.082 281 F CA 1.261 57.987 58.000 -2.123 0.000 1.313 281 F CB -1.691 35.586 39.000 -2.871 0.000 1.024 281 F HN 0.005 nan 8.300 nan 0.000 0.495 282 Y N -0.255 119.735 120.300 -0.516 0.000 2.483 282 Y HA -0.171 4.379 4.550 0.001 0.000 0.291 282 Y C 1.576 177.452 175.900 -0.040 0.000 1.143 282 Y CA 0.764 58.805 58.100 -0.100 0.000 1.289 282 Y CB -0.520 37.956 38.460 0.027 0.000 0.983 282 Y HN -0.001 nan 8.280 nan 0.000 0.556 283 D N -1.066 119.355 120.400 0.036 0.000 2.328 283 D HA -0.004 4.637 4.640 0.001 0.000 0.221 283 D C 0.877 177.205 176.300 0.047 0.000 1.072 283 D CA 0.331 54.353 54.000 0.037 0.000 0.850 283 D CB -0.201 40.605 40.800 0.010 0.000 0.922 283 D HN 0.254 nan 8.370 nan 0.000 0.516 284 F N 0.758 120.547 119.950 -0.269 0.000 2.811 284 F HA -0.035 4.492 4.527 0.001 0.000 0.301 284 F C 2.234 177.981 175.800 -0.087 0.000 1.151 284 F CA -0.272 57.586 58.000 -0.236 0.000 1.412 284 F CB -0.824 38.017 39.000 -0.264 0.000 1.113 284 F HN -0.103 nan 8.300 nan 0.000 0.579 285 V N -2.319 117.681 119.914 0.144 0.000 2.594 285 V HA -0.164 3.957 4.120 0.001 0.000 0.253 285 V C 0.818 176.930 176.094 0.029 0.000 1.069 285 V CA 1.388 63.752 62.300 0.106 0.000 1.082 285 V CB -0.555 31.337 31.823 0.115 0.000 0.680 285 V HN 0.101 nan 8.190 nan 0.000 0.469 286 D N 0.728 121.113 120.400 -0.024 0.000 2.339 286 D HA 0.147 4.787 4.640 0.001 0.000 0.241 286 D C 1.114 177.336 176.300 -0.130 0.000 1.183 286 D CA -0.106 53.852 54.000 -0.071 0.000 0.859 286 D CB 1.524 42.271 40.800 -0.088 0.000 1.067 286 D HN 0.332 nan 8.370 nan 0.000 0.484 287 K N 3.508 123.849 120.400 -0.098 0.000 2.152 287 K HA -0.179 4.142 4.320 0.001 0.000 0.206 287 K C 1.431 177.936 176.600 -0.159 0.000 1.048 287 K CA 1.103 57.317 56.287 -0.122 0.000 0.933 287 K CB 0.239 32.693 32.500 -0.076 0.000 0.721 287 K HN 0.314 nan 8.250 nan 0.000 0.447 288 K N 0.247 120.567 120.400 -0.133 0.000 2.113 288 K HA -0.146 4.174 4.320 0.001 0.000 0.208 288 K C 1.789 178.281 176.600 -0.181 0.000 1.047 288 K CA 1.630 57.844 56.287 -0.121 0.000 0.928 288 K CB -0.135 32.318 32.500 -0.077 0.000 0.716 288 K HN 0.230 nan 8.250 nan 0.000 0.446 289 N N 0.702 119.219 118.700 -0.305 0.000 2.216 289 N HA -0.091 4.649 4.740 0.001 0.000 0.183 289 N C 1.660 176.780 175.510 -0.650 0.000 1.017 289 N CA 0.962 53.700 53.050 -0.520 0.000 0.861 289 N CB -0.119 37.825 38.487 -0.904 0.000 0.986 289 N HN 0.206 nan 8.380 nan 0.000 0.428 290 R N 0.793 120.885 120.500 -0.681 0.000 2.081 290 R HA -0.075 4.265 4.340 0.001 0.000 0.235 290 R C 1.221 177.356 176.300 -0.276 0.000 1.131 290 R CA 1.174 56.884 56.100 -0.649 0.000 0.960 290 R CB -0.255 29.800 30.300 -0.409 0.000 0.856 290 R HN 0.217 nan 8.270 nan 0.000 0.436 291 D N -0.005 120.276 120.400 -0.199 0.000 2.104 291 D HA -0.132 4.508 4.640 0.001 0.000 0.194 291 D C 1.856 178.104 176.300 -0.085 0.000 0.994 291 D CA 1.652 55.582 54.000 -0.116 0.000 0.830 291 D CB -0.476 40.268 40.800 -0.093 0.000 0.959 291 D HN 0.164 nan 8.370 nan 0.000 0.452 292 T N 0.490 115.001 114.554 -0.073 0.000 2.708 292 T HA -0.159 4.192 4.350 0.001 0.000 0.266 292 T C 1.706 176.420 174.700 0.022 0.000 1.037 292 T CA 0.843 62.939 62.100 -0.007 0.000 1.146 292 T CB -0.492 68.408 68.868 0.054 0.000 0.865 292 T HN 0.121 nan 8.240 nan 0.000 0.435 293 F N 2.007 121.867 119.950 -0.151 0.000 2.075 293 F HA -0.126 4.402 4.527 0.001 0.000 0.297 293 F C 2.269 178.023 175.800 -0.077 0.000 1.113 293 F CA 0.871 58.809 58.000 -0.103 0.000 1.218 293 F CB -0.769 38.122 39.000 -0.182 0.000 0.984 293 F HN -0.094 nan 8.300 nan 0.000 0.472 294 V N 0.738 120.548 119.914 -0.173 0.000 2.332 294 V HA -0.326 3.794 4.120 0.001 0.000 0.248 294 V C 2.767 178.727 176.094 -0.223 0.000 1.055 294 V CA 1.880 64.036 62.300 -0.241 0.000 1.038 294 V CB -1.663 30.100 31.823 -0.101 0.000 0.651 294 V HN 0.520 nan 8.190 nan 0.000 0.450 295 A N 0.615 123.347 122.820 -0.146 0.000 1.933 295 A HA -0.210 4.110 4.320 0.001 0.000 0.218 295 A C 2.560 180.079 177.584 -0.108 0.000 1.175 295 A CA 2.264 54.237 52.037 -0.106 0.000 0.628 295 A CB -0.743 18.219 19.000 -0.065 0.000 0.814 295 A HN 0.694 nan 8.150 nan 0.000 0.444 296 S N -0.476 115.144 115.700 -0.134 0.000 2.383 296 S HA -0.099 4.371 4.470 0.001 0.000 0.227 296 S C 1.738 176.260 174.600 -0.131 0.000 1.026 296 S CA 1.381 59.517 58.200 -0.106 0.000 0.981 296 S CB -0.791 62.349 63.200 -0.099 0.000 0.818 296 S HN 0.235 nan 8.310 nan 0.000 0.472 297 V N 2.246 121.977 119.914 -0.305 0.000 2.358 297 V HA -0.114 4.006 4.120 0.001 0.000 0.246 297 V C 2.772 178.810 176.094 -0.095 0.000 1.047 297 V CA 2.070 64.209 62.300 -0.268 0.000 1.035 297 V CB -0.767 30.758 31.823 -0.496 0.000 0.658 297 V HN 0.553 nan 8.190 nan 0.000 0.452 298 K N 0.468 120.790 120.400 -0.132 0.000 2.032 298 K HA -0.267 4.053 4.320 0.001 0.000 0.209 298 K C 2.314 178.876 176.600 -0.063 0.000 1.048 298 K CA 2.002 58.221 56.287 -0.113 0.000 0.927 298 K CB -0.184 32.246 32.500 -0.117 0.000 0.712 298 K HN 0.374 nan 8.250 nan 0.000 0.441 299 K N -0.192 120.192 120.400 -0.026 0.000 2.063 299 K HA -0.193 4.128 4.320 0.001 0.000 0.208 299 K C 2.026 178.646 176.600 0.033 0.000 1.048 299 K CA 1.602 57.888 56.287 -0.001 0.000 0.928 299 K CB -0.264 32.257 32.500 0.035 0.000 0.713 299 K HN 0.150 nan 8.250 nan 0.000 0.442 300 F N 1.327 121.262 119.950 -0.026 0.000 2.134 300 F HA -0.149 4.378 4.527 0.001 0.000 0.299 300 F C 1.710 177.570 175.800 0.099 0.000 1.097 300 F CA 1.315 59.378 58.000 0.104 0.000 1.264 300 F CB 0.050 39.105 39.000 0.092 0.000 1.001 300 F HN -0.022 nan 8.300 nan 0.000 0.479 301 L N -0.265 121.030 121.223 0.121 0.000 2.217 301 L HA -0.157 4.183 4.340 0.001 0.000 0.211 301 L C 2.191 179.009 176.870 -0.087 0.000 1.107 301 L CA 1.112 55.971 54.840 0.032 0.000 0.783 301 L CB -0.521 41.520 42.059 -0.029 0.000 0.919 301 L HN 0.060 nan 8.230 nan 0.000 0.442 302 K N -0.664 119.638 120.400 -0.164 0.000 2.103 302 K HA -0.061 4.259 4.320 0.001 0.000 0.204 302 K C 2.065 178.298 176.600 -0.611 0.000 1.052 302 K CA 1.446 57.582 56.287 -0.251 0.000 0.945 302 K CB -0.088 32.307 32.500 -0.175 0.000 0.722 302 K HN 0.195 nan 8.250 nan 0.000 0.443 303 T N -0.183 113.934 114.554 -0.729 0.000 2.812 303 T HA -0.096 4.254 4.350 0.001 0.000 0.264 303 T C 0.069 174.064 174.700 -1.175 0.000 1.042 303 T CA 0.959 62.291 62.100 -1.280 0.000 1.140 303 T CB -0.055 68.209 68.868 -1.006 0.000 0.870 303 T HN 0.266 nan 8.240 nan 0.000 0.445 304 W N 2.149 123.172 121.300 -0.462 0.000 2.351 304 W HA 0.482 5.143 4.660 0.001 0.000 0.320 304 W C 0.896 177.184 176.519 -0.386 0.000 0.947 304 W CA -1.005 56.111 57.345 -0.382 0.000 1.565 304 W CB 0.457 29.604 29.460 -0.521 0.000 1.409 304 W HN -0.030 nan 8.180 nan 0.000 0.399 305 K N 1.122 121.506 120.400 -0.026 0.000 2.365 305 K HA -0.113 4.207 4.320 0.001 0.000 0.199 305 K C 1.651 178.260 176.600 0.016 0.000 1.045 305 K CA 0.998 57.291 56.287 0.010 0.000 0.962 305 K CB -0.105 32.429 32.500 0.057 0.000 0.759 305 K HN 0.549 nan 8.250 nan 0.000 0.469 306 F N -0.709 119.208 119.950 -0.054 0.000 2.365 306 F HA -0.029 4.499 4.527 0.000 0.000 0.300 306 F C 0.464 176.190 175.800 -0.124 0.000 1.090 306 F CA -0.096 57.817 58.000 -0.146 0.000 1.408 306 F CB -0.878 37.957 39.000 -0.276 0.000 1.060 306 F HN -0.189 nan 8.300 nan 0.000 0.534 307 Y N 2.213 122.097 120.300 -0.694 0.000 2.425 307 Y HA 0.065 4.615 4.550 0.000 0.000 0.331 307 Y C 0.836 176.703 175.900 -0.056 0.000 1.157 307 Y CA -0.566 57.290 58.100 -0.407 0.000 1.372 307 Y CB 0.439 38.641 38.460 -0.431 0.000 1.253 307 Y HN 0.070 nan 8.280 nan 0.000 0.536 308 D N 2.383 122.901 120.400 0.198 0.000 2.402 308 D HA 0.256 4.896 4.640 0.001 0.000 0.216 308 D C 0.697 177.149 176.300 0.253 0.000 1.128 308 D CA 0.404 54.454 54.000 0.083 0.000 0.833 308 D CB 0.761 41.571 40.800 0.017 0.000 0.971 308 D HN 0.879 nan 8.370 nan 0.000 0.503 309 G N -0.270 108.762 108.800 0.386 0.000 2.398 309 G HA2 0.224 4.184 3.960 0.001 0.000 0.251 309 G HA3 0.224 4.184 3.960 0.001 0.000 0.251 309 G C -1.970 173.041 174.900 0.185 0.000 1.277 309 G CA -0.217 45.098 45.100 0.358 0.000 0.927 309 G HN 0.097 nan 8.290 nan 0.000 0.477 310 V N 0.326 120.337 119.914 0.160 0.000 2.808 310 V HA 0.711 4.831 4.120 0.001 0.000 0.308 310 V C -1.890 174.314 176.094 0.183 0.000 1.099 310 V CA -0.316 62.056 62.300 0.119 0.000 0.920 310 V CB 2.022 33.889 31.823 0.074 0.000 1.014 310 V HN 1.062 nan 8.190 nan 0.000 0.425 311 D N 5.550 126.073 120.400 0.205 0.000 2.391 311 D HA 0.488 5.128 4.640 0.001 0.000 0.245 311 D C -0.859 175.622 176.300 0.302 0.000 1.069 311 D CA -0.413 53.749 54.000 0.270 0.000 0.831 311 D CB 1.336 42.300 40.800 0.274 0.000 1.204 311 D HN 0.391 nan 8.370 nan 0.000 0.503 312 I N 3.601 124.340 120.570 0.281 0.000 2.307 312 I HA 0.233 4.404 4.170 0.001 0.000 0.289 312 I C -0.510 175.744 176.117 0.228 0.000 1.021 312 I CA -0.591 60.858 61.300 0.248 0.000 1.224 312 I CB 1.195 39.266 38.000 0.117 0.000 1.376 312 I HN 0.379 nan 8.210 nan 0.000 0.470 313 D N 6.482 127.033 120.400 0.252 0.000 2.590 313 D HA 0.071 4.712 4.640 0.001 0.000 0.280 313 D C -0.400 175.950 176.300 0.082 0.000 1.197 313 D CA -0.167 53.969 54.000 0.227 0.000 0.967 313 D CB 0.360 41.374 40.800 0.355 0.000 0.987 313 D HN 0.347 nan 8.370 nan 0.000 0.508 314 W N 2.964 124.034 121.300 -0.383 0.000 2.387 314 W HA 0.360 5.020 4.660 0.000 0.000 0.310 314 W C -0.885 175.402 176.519 -0.386 0.000 1.181 314 W CA -1.185 55.786 57.345 -0.623 0.000 1.333 314 W CB 0.212 29.050 29.460 -1.037 0.000 1.286 314 W HN 0.100 nan 8.180 nan 0.000 0.455 315 M N 8.616 128.159 119.600 -0.095 0.000 2.023 315 M HA 0.349 4.829 4.480 0.001 0.000 0.325 315 M C -1.558 174.438 176.300 -0.507 0.000 0.963 315 M CA -0.222 54.570 55.300 -0.846 0.000 0.928 315 M CB 0.635 32.597 32.600 -1.063 0.000 1.429 315 M HN 0.085 nan 8.290 nan 0.000 0.404 316 F N 1.771 121.759 119.950 0.064 0.000 2.613 316 F HA 0.588 5.115 4.527 0.000 0.000 0.310 316 F C -2.423 172.959 175.800 -0.697 0.000 1.085 316 F CA -2.515 55.290 58.000 -0.324 0.000 0.945 316 F CB 1.299 40.185 39.000 -0.190 0.000 1.298 316 F HN 0.284 nan 8.300 nan 0.000 0.455 317 P HA 0.180 nan 4.420 nan 0.000 0.262 317 P C 0.671 177.770 177.300 -0.335 0.000 1.182 317 P CA 1.344 63.788 63.100 -1.094 0.000 0.761 317 P CB 0.460 31.438 31.700 -1.204 0.000 0.795 318 G N 1.944 110.700 108.800 -0.074 0.000 2.225 318 G HA2 0.037 3.998 3.960 0.001 0.000 0.254 318 G HA3 0.037 3.998 3.960 0.001 0.000 0.254 318 G C 0.526 175.476 174.900 0.083 0.000 0.988 318 G CA 0.174 45.275 45.100 0.002 0.000 0.625 318 G HN 1.043 nan 8.290 nan 0.000 0.527 319 G N -1.525 107.409 108.800 0.223 0.000 2.610 319 G HA2 0.502 4.462 3.960 0.001 0.000 0.304 319 G HA3 0.502 4.462 3.960 0.001 0.000 0.304 319 G C 1.207 176.235 174.900 0.214 0.000 1.309 319 G CA 1.261 46.485 45.100 0.207 0.000 0.906 319 G HN 2.521 nan 8.290 nan 0.000 0.521 320 G N -1.789 107.107 108.800 0.161 0.000 2.157 320 G HA2 0.314 4.274 3.960 0.001 0.000 0.239 320 G HA3 0.314 4.274 3.960 0.001 0.000 0.239 320 G C 1.590 176.729 174.900 0.399 0.000 0.982 320 G CA 1.109 46.326 45.100 0.195 0.000 0.650 320 G HN 2.355 nan 8.290 nan 0.000 0.527 321 G N -0.805 108.133 108.800 0.230 0.000 2.574 321 G HA2 0.705 4.666 3.960 0.001 0.000 0.248 321 G HA3 0.705 4.666 3.960 0.001 0.000 0.248 321 G C 1.462 175.972 174.900 -0.649 0.000 1.422 321 G CA 1.013 45.933 45.100 -0.301 0.000 1.051 321 G HN 1.203 nan 8.290 nan 0.000 0.560 322 A N -0.782 121.260 122.820 -1.296 0.000 1.933 322 A HA 0.392 4.713 4.320 0.001 0.000 0.218 322 A C 1.762 179.145 177.584 -0.336 0.000 1.175 322 A CA 1.837 53.356 52.037 -0.862 0.000 0.628 322 A CB -0.714 17.643 19.000 -1.071 0.000 0.814 322 A HN 1.430 nan 8.150 nan 0.000 0.444 323 A N -0.382 122.263 122.820 -0.292 0.000 2.343 323 A HA 0.605 4.925 4.320 0.001 0.000 0.305 323 A C 1.218 178.695 177.584 -0.179 0.000 1.308 323 A CA 0.279 52.196 52.037 -0.200 0.000 0.949 323 A CB 0.108 18.985 19.000 -0.205 0.000 1.148 323 A HN 0.965 nan 8.150 nan 0.000 0.545 324 A N 2.407 125.158 122.820 -0.115 0.000 2.067 324 A HA -0.074 4.247 4.320 0.001 0.000 0.219 324 A C 1.413 178.936 177.584 -0.101 0.000 1.158 324 A CA 1.546 53.535 52.037 -0.079 0.000 0.661 324 A CB -0.199 18.779 19.000 -0.036 0.000 0.801 324 A HN 0.801 nan 8.150 nan 0.000 0.452 325 D N -0.753 119.571 120.400 -0.128 0.000 2.328 325 D HA 0.089 4.730 4.640 0.001 0.000 0.221 325 D C 0.289 176.477 176.300 -0.186 0.000 1.072 325 D CA 0.253 54.179 54.000 -0.123 0.000 0.850 325 D CB 0.076 40.819 40.800 -0.095 0.000 0.922 325 D HN 0.333 nan 8.370 nan 0.000 0.516 326 K N -0.328 119.886 120.400 -0.310 0.000 2.395 326 K HA 0.657 4.977 4.320 0.001 0.000 0.247 326 K C -0.346 175.931 176.600 -0.540 0.000 0.973 326 K CA -0.853 55.106 56.287 -0.546 0.000 0.828 326 K CB 2.587 34.487 32.500 -1.001 0.000 1.272 326 K HN 0.099 nan 8.250 nan 0.000 0.439 327 G N 1.727 110.284 108.800 -0.405 0.000 2.957 327 G HA2 0.007 3.967 3.960 0.001 0.000 0.636 327 G HA3 0.007 3.967 3.960 0.001 0.000 0.636 327 G C -1.999 172.943 174.900 0.069 0.000 1.401 327 G CA -0.873 44.232 45.100 0.008 0.000 0.941 327 G HN 0.554 nan 8.290 nan 0.000 0.610 328 D N 3.292 123.787 120.400 0.159 0.000 2.389 328 D HA 0.527 5.167 4.640 0.001 0.000 0.256 328 D C -1.481 174.858 176.300 0.066 0.000 1.239 328 D CA -2.029 52.032 54.000 0.102 0.000 0.925 328 D CB 2.226 43.106 40.800 0.133 0.000 1.145 328 D HN 0.056 nan 8.370 nan 0.000 0.542 329 P HA -0.089 nan 4.420 nan 0.000 0.222 329 P C 1.428 178.721 177.300 -0.011 0.000 1.147 329 P CA 0.438 63.532 63.100 -0.011 0.000 0.790 329 P CB 0.622 32.312 31.700 -0.015 0.000 0.780 330 V N -0.224 119.696 119.914 0.010 0.000 2.379 330 V HA -0.088 4.032 4.120 0.001 0.000 0.243 330 V C 1.866 177.972 176.094 0.020 0.000 1.035 330 V CA 1.745 64.052 62.300 0.011 0.000 1.035 330 V CB -0.761 31.072 31.823 0.018 0.000 0.673 330 V HN 0.158 nan 8.190 nan 0.000 0.457 331 N N -0.666 118.062 118.700 0.047 0.000 2.368 331 N HA -0.019 4.722 4.740 0.001 0.000 0.178 331 N C 1.248 176.824 175.510 0.109 0.000 1.076 331 N CA 0.467 53.561 53.050 0.073 0.000 0.889 331 N CB 0.151 38.689 38.487 0.086 0.000 1.040 331 N HN 0.373 nan 8.380 nan 0.000 0.463 332 D N 1.143 121.608 120.400 0.108 0.000 2.097 332 D HA -0.068 4.573 4.640 0.001 0.000 0.195 332 D C 2.002 178.301 176.300 -0.001 0.000 0.989 332 D CA 1.170 55.253 54.000 0.139 0.000 0.827 332 D CB -0.506 40.312 40.800 0.030 0.000 0.966 332 D HN 0.258 nan 8.370 nan 0.000 0.456 333 G N 1.394 110.126 108.800 -0.113 0.000 2.459 333 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 333 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 333 G C -0.733 174.163 174.900 -0.006 0.000 1.183 333 G CA 0.636 45.637 45.100 -0.165 0.000 0.776 333 G HN 0.295 nan 8.290 nan 0.000 0.552 334 P HA -0.085 nan 4.420 nan 0.000 0.216 334 P C 2.161 179.528 177.300 0.112 0.000 1.150 334 P CA 2.046 65.183 63.100 0.061 0.000 0.843 334 P CB -0.147 31.581 31.700 0.046 0.000 0.787 335 A N -1.533 121.386 122.820 0.165 0.000 1.902 335 A HA -0.231 4.090 4.320 0.001 0.000 0.217 335 A C 2.287 180.051 177.584 0.301 0.000 1.181 335 A CA 1.458 53.634 52.037 0.232 0.000 0.623 335 A CB -1.894 17.299 19.000 0.322 0.000 0.818 335 A HN 0.172 nan 8.150 nan 0.000 0.443 336 Y N 0.541 120.962 120.300 0.201 0.000 2.145 336 Y HA -0.210 4.340 4.550 0.001 0.000 0.286 336 Y C 1.987 177.942 175.900 0.091 0.000 1.145 336 Y CA 1.934 60.136 58.100 0.170 0.000 1.148 336 Y CB -0.290 38.133 38.460 -0.062 0.000 0.981 336 Y HN 0.271 nan 8.280 nan 0.000 0.507 337 I N 0.178 120.896 120.570 0.246 0.000 2.179 337 I HA -0.352 3.819 4.170 0.001 0.000 0.242 337 I C 2.710 178.844 176.117 0.029 0.000 1.088 337 I CA 1.373 62.769 61.300 0.161 0.000 1.357 337 I CB -0.839 37.259 38.000 0.162 0.000 1.051 337 I HN 0.336 nan 8.210 nan 0.000 0.409 338 A N 0.626 123.463 122.820 0.029 0.000 1.908 338 A HA -0.231 4.089 4.320 0.001 0.000 0.218 338 A C 2.274 179.809 177.584 -0.081 0.000 1.181 338 A CA 1.706 53.719 52.037 -0.039 0.000 0.627 338 A CB -0.891 18.110 19.000 0.002 0.000 0.818 338 A HN 0.399 nan 8.150 nan 0.000 0.445 339 L N -0.898 120.316 121.223 -0.015 0.000 2.012 339 L HA -0.195 4.146 4.340 0.001 0.000 0.210 339 L C 2.381 179.209 176.870 -0.070 0.000 1.073 339 L CA 2.153 56.995 54.840 0.005 0.000 0.748 339 L CB -0.457 41.672 42.059 0.117 0.000 0.891 339 L HN 0.309 nan 8.230 nan 0.000 0.431 340 M N -0.771 118.742 119.600 -0.146 0.000 2.086 340 M HA -0.198 4.282 4.480 0.001 0.000 0.261 340 M C 2.463 178.586 176.300 -0.296 0.000 1.067 340 M CA 1.699 56.915 55.300 -0.140 0.000 1.116 340 M CB -1.354 31.216 32.600 -0.049 0.000 1.348 340 M HN 0.345 nan 8.290 nan 0.000 0.407 341 R N 0.576 120.685 120.500 -0.651 0.000 2.083 341 R HA -0.184 4.156 4.340 0.001 0.000 0.237 341 R C 1.949 177.982 176.300 -0.444 0.000 1.137 341 R CA 1.979 57.425 56.100 -1.090 0.000 0.951 341 R CB -0.064 29.621 30.300 -1.026 0.000 0.851 341 R HN 0.437 nan 8.270 nan 0.000 0.434 342 E N 0.272 120.314 120.200 -0.264 0.000 2.072 342 E HA -0.155 4.196 4.350 0.001 0.000 0.191 342 E C 2.089 178.627 176.600 -0.104 0.000 0.985 342 E CA 1.243 57.555 56.400 -0.147 0.000 0.801 342 E CB -0.055 29.581 29.700 -0.106 0.000 0.750 342 E HN 0.329 nan 8.360 nan 0.000 0.452 343 L N 0.668 121.845 121.223 -0.078 0.000 2.083 343 L HA -0.191 4.149 4.340 0.001 0.000 0.209 343 L C 2.593 179.437 176.870 -0.044 0.000 1.083 343 L CA 0.848 55.662 54.840 -0.043 0.000 0.752 343 L CB -0.232 41.835 42.059 0.013 0.000 0.899 343 L HN 0.054 nan 8.230 nan 0.000 0.433 344 R N 0.232 120.704 120.500 -0.047 0.000 2.075 344 R HA -0.102 4.238 4.340 0.001 0.000 0.232 344 R C 1.999 178.296 176.300 -0.006 0.000 1.126 344 R CA 1.610 57.714 56.100 0.007 0.000 0.963 344 R CB -1.020 29.327 30.300 0.078 0.000 0.858 344 R HN 0.140 nan 8.270 nan 0.000 0.435 345 V N 1.308 121.197 119.914 -0.043 0.000 2.287 345 V HA -0.282 3.838 4.120 0.001 0.000 0.248 345 V C 2.558 178.627 176.094 -0.042 0.000 1.053 345 V CA 2.146 64.425 62.300 -0.035 0.000 1.027 345 V CB -0.639 31.153 31.823 -0.052 0.000 0.646 345 V HN 0.399 nan 8.190 nan 0.000 0.447 346 M N -0.329 119.233 119.600 -0.063 0.000 2.086 346 M HA -0.160 4.320 4.480 0.001 0.000 0.261 346 M C 2.136 178.374 176.300 -0.103 0.000 1.067 346 M CA 2.087 57.337 55.300 -0.084 0.000 1.116 346 M CB -0.651 31.887 32.600 -0.104 0.000 1.348 346 M HN 0.301 nan 8.290 nan 0.000 0.407 347 L N 0.025 121.193 121.223 -0.091 0.000 2.141 347 L HA -0.225 4.116 4.340 0.001 0.000 0.209 347 L C 1.980 178.830 176.870 -0.032 0.000 1.094 347 L CA 1.030 55.803 54.840 -0.111 0.000 0.763 347 L CB -0.896 41.148 42.059 -0.025 0.000 0.908 347 L HN 0.232 nan 8.230 nan 0.000 0.437 348 D N 0.170 120.572 120.400 0.003 0.000 2.144 348 D HA -0.181 4.459 4.640 0.001 0.000 0.199 348 D C 2.096 178.404 176.300 0.013 0.000 0.984 348 D CA 1.083 55.100 54.000 0.028 0.000 0.834 348 D CB -0.029 40.787 40.800 0.028 0.000 0.955 348 D HN 0.382 nan 8.370 nan 0.000 0.465 349 E N 0.207 120.396 120.200 -0.019 0.000 2.058 349 E HA -0.137 4.213 4.350 0.001 0.000 0.194 349 E C 2.352 178.938 176.600 -0.024 0.000 0.997 349 E CA 0.538 56.924 56.400 -0.024 0.000 0.801 349 E CB -0.138 29.536 29.700 -0.043 0.000 0.746 349 E HN 0.269 nan 8.360 nan 0.000 0.450 350 L N 0.995 122.175 121.223 -0.072 0.000 2.083 350 L HA -0.204 4.137 4.340 0.001 0.000 0.209 350 L C 2.381 179.305 176.870 0.090 0.000 1.083 350 L CA 1.182 55.973 54.840 -0.082 0.000 0.752 350 L CB -0.358 41.461 42.059 -0.401 0.000 0.899 350 L HN 0.164 nan 8.230 nan 0.000 0.433 351 E N 0.053 120.336 120.200 0.139 0.000 2.077 351 E HA -0.223 4.127 4.350 0.001 0.000 0.193 351 E C 2.290 178.953 176.600 0.105 0.000 0.989 351 E CA 1.171 57.683 56.400 0.188 0.000 0.800 351 E CB -0.143 29.657 29.700 0.166 0.000 0.746 351 E HN 0.509 nan 8.360 nan 0.000 0.452 352 A N 1.384 124.244 122.820 0.066 0.000 1.933 352 A HA -0.219 4.101 4.320 0.001 0.000 0.218 352 A C 1.869 179.479 177.584 0.042 0.000 1.175 352 A CA 1.430 53.494 52.037 0.044 0.000 0.628 352 A CB -0.320 18.697 19.000 0.028 0.000 0.814 352 A HN 0.154 nan 8.150 nan 0.000 0.444 353 E N -1.017 119.209 120.200 0.043 0.000 2.216 353 E HA -0.080 4.270 4.350 0.001 0.000 0.192 353 E C 1.923 178.556 176.600 0.054 0.000 0.988 353 E CA 1.467 57.890 56.400 0.038 0.000 0.834 353 E CB -0.021 29.693 29.700 0.024 0.000 0.772 353 E HN 0.826 nan 8.360 nan 0.000 0.479 354 T N -4.681 109.924 114.554 0.085 0.000 2.955 354 T HA 0.302 4.652 4.350 0.001 0.000 0.251 354 T C 1.615 176.360 174.700 0.075 0.000 1.002 354 T CA 0.339 62.496 62.100 0.095 0.000 0.970 354 T CB 0.888 69.850 68.868 0.157 0.000 1.091 354 T HN 0.212 nan 8.240 nan 0.000 0.495 355 G N 1.995 110.839 108.800 0.074 0.000 2.184 355 G HA2 -0.272 3.688 3.960 0.001 0.000 0.264 355 G HA3 -0.272 3.688 3.960 0.001 0.000 0.264 355 G C 0.233 175.156 174.900 0.038 0.000 0.975 355 G CA 0.209 45.340 45.100 0.051 0.000 0.642 355 G HN 0.713 nan 8.290 nan 0.000 0.536 356 R N -0.108 120.419 120.500 0.045 0.000 2.546 356 R HA 0.597 4.938 4.340 0.001 0.000 0.266 356 R C -0.147 176.128 176.300 -0.043 0.000 1.086 356 R CA 0.084 56.155 56.100 -0.048 0.000 1.160 356 R CB 0.548 30.747 30.300 -0.169 0.000 1.138 356 R HN 0.136 nan 8.270 nan 0.000 0.567 357 T N 1.531 116.002 114.554 -0.139 0.000 2.771 357 T HA 0.357 4.707 4.350 0.001 0.000 0.281 357 T C -1.118 173.464 174.700 -0.196 0.000 0.982 357 T CA -0.393 61.667 62.100 -0.067 0.000 0.978 357 T CB 0.388 69.242 68.868 -0.024 0.000 0.930 357 T HN 0.256 nan 8.240 nan 0.000 0.447 358 Y N 1.436 121.765 120.300 0.049 0.000 2.409 358 Y HA 0.428 4.979 4.550 0.001 0.000 0.339 358 Y C 0.859 176.803 175.900 0.073 0.000 1.033 358 Y CA -0.948 57.189 58.100 0.061 0.000 1.094 358 Y CB 1.398 39.887 38.460 0.048 0.000 1.210 358 Y HN 0.564 nan 8.280 nan 0.000 0.456 359 E N 2.571 122.923 120.200 0.254 0.000 2.191 359 E HA 0.453 4.804 4.350 0.001 0.000 0.274 359 E C -1.622 175.102 176.600 0.207 0.000 0.948 359 E CA -1.111 55.416 56.400 0.211 0.000 0.802 359 E CB 2.358 32.219 29.700 0.268 0.000 1.137 359 E HN 0.299 nan 8.360 nan 0.000 0.397 360 L N 2.442 123.755 121.223 0.151 0.000 2.349 360 L HA 0.438 4.778 4.340 0.001 0.000 0.278 360 L C -0.627 176.323 176.870 0.133 0.000 0.996 360 L CA 0.008 54.932 54.840 0.140 0.000 0.825 360 L CB 1.492 43.614 42.059 0.106 0.000 1.243 360 L HN 0.695 nan 8.230 nan 0.000 0.412 361 T N 0.749 115.415 114.554 0.187 0.000 2.838 361 T HA 0.849 5.199 4.350 0.001 0.000 0.292 361 T C -0.683 174.160 174.700 0.238 0.000 1.113 361 T CA -0.747 61.472 62.100 0.199 0.000 1.008 361 T CB 1.660 70.739 68.868 0.352 0.000 1.259 361 T HN 0.657 nan 8.240 nan 0.000 0.520 362 S N -0.580 115.276 115.700 0.259 0.000 2.543 362 S HA 0.669 5.140 4.470 0.001 0.000 0.271 362 S C -1.076 173.731 174.600 0.344 0.000 1.148 362 S CA -0.429 57.959 58.200 0.314 0.000 0.914 362 S CB 1.025 64.429 63.200 0.341 0.000 1.096 362 S HN 1.347 nan 8.310 nan 0.000 0.471 363 A N 4.243 127.290 122.820 0.379 0.000 2.301 363 A HA 0.775 5.096 4.320 0.001 0.000 0.298 363 A C -0.029 177.712 177.584 0.263 0.000 1.185 363 A CA -0.649 51.591 52.037 0.339 0.000 0.830 363 A CB -0.195 19.067 19.000 0.437 0.000 1.112 363 A HN 1.172 nan 8.150 nan 0.000 0.508 364 I N -0.104 120.580 120.570 0.189 0.000 2.785 364 I HA 0.839 5.009 4.170 0.001 0.000 0.302 364 I C 0.390 176.588 176.117 0.135 0.000 1.069 364 I CA -1.029 60.354 61.300 0.139 0.000 1.045 364 I CB 2.057 40.046 38.000 -0.019 0.000 1.236 364 I HN 0.613 nan 8.210 nan 0.000 0.429 365 G N 2.362 111.287 108.800 0.207 0.000 2.544 365 G HA2 0.392 4.353 3.960 0.001 0.000 0.242 365 G HA3 0.392 4.353 3.960 0.001 0.000 0.242 365 G C 0.550 175.401 174.900 -0.082 0.000 1.247 365 G CA 0.010 45.159 45.100 0.082 0.000 0.840 365 G HN 1.222 nan 8.290 nan 0.000 0.578 366 V N -0.047 119.800 119.914 -0.112 0.000 3.380 366 V HA 0.465 4.585 4.120 0.001 0.000 0.307 366 V C 1.123 177.109 176.094 -0.180 0.000 1.434 366 V CA 0.247 62.486 62.300 -0.102 0.000 1.075 366 V CB -0.260 31.561 31.823 -0.003 0.000 0.954 366 V HN 0.810 nan 8.190 nan 0.000 0.444 367 G N 0.548 109.121 108.800 -0.378 0.000 2.432 367 G HA2 0.175 4.136 3.960 0.001 0.000 0.239 367 G HA3 0.175 4.136 3.960 0.001 0.000 0.239 367 G C 0.460 175.254 174.900 -0.176 0.000 1.291 367 G CA 0.421 45.247 45.100 -0.458 0.000 0.863 367 G HN 0.739 nan 8.290 nan 0.000 0.560 368 Y N 0.479 120.808 120.300 0.048 0.000 2.193 368 Y HA -0.245 4.305 4.550 0.001 0.000 0.285 368 Y C 1.988 177.884 175.900 -0.006 0.000 1.166 368 Y CA 1.805 59.919 58.100 0.023 0.000 1.181 368 Y CB -0.162 38.325 38.460 0.045 0.000 0.976 368 Y HN 0.491 nan 8.280 nan 0.000 0.520 369 D N -0.189 119.567 120.400 -1.073 0.000 2.363 369 D HA -0.090 4.550 4.640 0.001 0.000 0.220 369 D C 1.101 177.140 176.300 -0.435 0.000 0.994 369 D CA 0.535 54.049 54.000 -0.810 0.000 0.890 369 D CB -0.083 40.189 40.800 -0.879 0.000 0.906 369 D HN 0.422 nan 8.370 nan 0.000 0.530 370 K N 0.657 120.807 120.400 -0.416 0.000 2.190 370 K HA 0.201 4.521 4.320 0.001 0.000 0.202 370 K C 2.449 178.929 176.600 -0.199 0.000 1.045 370 K CA -0.066 55.992 56.287 -0.382 0.000 0.976 370 K CB -0.179 31.955 32.500 -0.610 0.000 0.849 370 K HN 0.199 nan 8.250 nan 0.000 0.468 371 I N 2.945 123.448 120.570 -0.112 0.000 2.264 371 I HA -0.281 3.889 4.170 0.001 0.000 0.248 371 I C 2.454 178.587 176.117 0.028 0.000 1.111 371 I CA 1.585 62.920 61.300 0.059 0.000 1.382 371 I CB -0.409 37.620 38.000 0.049 0.000 1.060 371 I HN 0.331 nan 8.210 nan 0.000 0.418 372 E N 0.524 120.706 120.200 -0.030 0.000 2.333 372 E HA -0.230 4.120 4.350 0.001 0.000 0.198 372 E C 0.905 177.453 176.600 -0.087 0.000 1.007 372 E CA 1.198 57.583 56.400 -0.025 0.000 0.845 372 E CB -0.263 29.444 29.700 0.013 0.000 0.766 372 E HN 0.493 nan 8.360 nan 0.000 0.507 373 D N 0.879 121.188 120.400 -0.151 0.000 2.349 373 D HA 0.061 4.701 4.640 0.001 0.000 0.215 373 D C -0.070 176.052 176.300 -0.296 0.000 1.016 373 D CA 0.340 54.221 54.000 -0.197 0.000 0.870 373 D CB 0.831 41.503 40.800 -0.214 0.000 0.917 373 D HN 0.036 nan 8.370 nan 0.000 0.524 374 V N 1.081 120.754 119.914 -0.401 0.000 2.709 374 V HA 0.120 4.240 4.120 0.001 0.000 0.308 374 V C -0.346 175.457 176.094 -0.485 0.000 1.062 374 V CA -1.098 60.822 62.300 -0.632 0.000 0.901 374 V CB 2.582 33.572 31.823 -1.389 0.000 1.003 374 V HN -0.199 nan 8.190 nan 0.000 0.425 375 D N 2.455 122.672 120.400 -0.306 0.000 2.470 375 D HA 0.168 4.809 4.640 0.001 0.000 0.226 375 D C 0.508 176.732 176.300 -0.127 0.000 1.196 375 D CA 0.025 53.938 54.000 -0.145 0.000 0.979 375 D CB 0.314 41.080 40.800 -0.056 0.000 1.059 375 D HN 0.493 nan 8.370 nan 0.000 0.515 376 Y N 1.996 122.291 120.300 -0.008 0.000 2.421 376 Y HA -0.062 4.488 4.550 0.000 0.000 0.292 376 Y C 2.399 178.318 175.900 0.032 0.000 1.136 376 Y CA 0.947 59.061 58.100 0.024 0.000 1.255 376 Y CB -0.274 38.182 38.460 -0.007 0.000 0.991 376 Y HN 0.519 nan 8.280 nan 0.000 0.552 377 A N -0.137 122.767 122.820 0.140 0.000 1.933 377 A HA -0.231 4.089 4.320 0.001 0.000 0.218 377 A C 2.074 179.682 177.584 0.039 0.000 1.175 377 A CA 2.059 54.139 52.037 0.070 0.000 0.628 377 A CB -0.656 18.369 19.000 0.041 0.000 0.814 377 A HN 0.391 nan 8.150 nan 0.000 0.444 378 D N -0.191 120.238 120.400 0.049 0.000 2.091 378 D HA -0.012 4.628 4.640 0.001 0.000 0.199 378 D C 2.208 178.568 176.300 0.101 0.000 0.980 378 D CA 1.583 55.613 54.000 0.050 0.000 0.831 378 D CB -0.318 40.524 40.800 0.070 0.000 0.987 378 D HN 0.290 nan 8.370 nan 0.000 0.460 379 A N 0.463 123.393 122.820 0.183 0.000 1.908 379 A HA -0.139 4.181 4.320 0.001 0.000 0.218 379 A C 2.513 180.248 177.584 0.251 0.000 1.181 379 A CA 1.643 53.863 52.037 0.306 0.000 0.627 379 A CB -1.021 18.231 19.000 0.419 0.000 0.818 379 A HN 0.233 nan 8.150 nan 0.000 0.445 380 V N 1.337 121.353 119.914 0.170 0.000 2.913 380 V HA -0.246 3.875 4.120 0.001 0.000 0.260 380 V C 2.613 178.686 176.094 -0.034 0.000 1.098 380 V CA 2.187 64.541 62.300 0.091 0.000 1.121 380 V CB -0.769 31.100 31.823 0.076 0.000 0.714 380 V HN 0.901 nan 8.190 nan 0.000 0.487 381 Q N -1.232 118.469 119.800 -0.164 0.000 2.291 381 Q HA -0.218 4.123 4.340 0.001 0.000 0.206 381 Q C 1.489 177.268 176.000 -0.367 0.000 0.976 381 Q CA 2.127 57.731 55.803 -0.330 0.000 0.875 381 Q CB -0.448 27.990 28.738 -0.498 0.000 0.927 381 Q HN 0.753 nan 8.270 nan 0.000 0.450 382 Y N 0.121 120.426 120.300 0.009 0.000 2.462 382 Y HA 0.360 4.910 4.550 0.001 0.000 0.261 382 Y C 0.691 176.586 175.900 -0.007 0.000 1.146 382 Y CA -0.522 57.579 58.100 0.003 0.000 1.283 382 Y CB 0.542 39.007 38.460 0.008 0.000 1.090 382 Y HN 0.036 nan 8.280 nan 0.000 0.526 383 M N -0.228 119.422 119.600 0.084 0.000 2.578 383 M HA 0.216 4.696 4.480 0.001 0.000 0.321 383 M C 0.134 176.375 176.300 -0.098 0.000 1.182 383 M CA -0.426 54.892 55.300 0.030 0.000 0.965 383 M CB 1.739 34.375 32.600 0.060 0.000 1.694 383 M HN 0.037 nan 8.290 nan 0.000 0.461 384 D N 0.412 120.707 120.400 -0.174 0.000 2.197 384 D HA 0.057 4.697 4.640 0.001 0.000 0.212 384 D C -0.527 175.262 176.300 -0.851 0.000 0.963 384 D CA 1.595 55.296 54.000 -0.497 0.000 0.864 384 D CB 0.453 40.985 40.800 -0.448 0.000 1.009 384 D HN 0.439 nan 8.370 nan 0.000 0.479 385 Y N -0.511 119.679 120.300 -0.183 0.000 2.534 385 Y HA 0.450 5.000 4.550 0.001 0.000 0.345 385 Y C -0.420 175.226 175.900 -0.422 0.000 1.031 385 Y CA -0.871 56.992 58.100 -0.395 0.000 1.022 385 Y CB 2.150 40.162 38.460 -0.746 0.000 1.292 385 Y HN -0.305 nan 8.280 nan 0.000 0.459 386 I N 3.162 123.588 120.570 -0.240 0.000 2.362 386 I HA 0.269 4.440 4.170 0.001 0.000 0.289 386 I C -1.202 174.694 176.117 -0.368 0.000 0.994 386 I CA -0.565 60.600 61.300 -0.225 0.000 1.158 386 I CB 0.838 38.754 38.000 -0.140 0.000 1.315 386 I HN 0.432 nan 8.210 nan 0.000 0.451 387 F N 5.619 125.467 119.950 -0.171 0.000 2.423 387 F HA 0.368 4.896 4.527 0.001 0.000 0.356 387 F C 0.946 176.656 175.800 -0.149 0.000 1.170 387 F CA -0.528 57.175 58.000 -0.496 0.000 1.163 387 F CB 0.570 38.935 39.000 -1.058 0.000 1.318 387 F HN 0.439 nan 8.300 nan 0.000 0.569 388 A N 5.729 128.700 122.820 0.252 0.000 2.395 388 A HA 0.346 4.667 4.320 0.001 0.000 0.286 388 A C 0.443 178.212 177.584 0.309 0.000 1.193 388 A CA -0.507 51.660 52.037 0.217 0.000 0.852 388 A CB -0.232 18.848 19.000 0.133 0.000 1.118 388 A HN 0.765 nan 8.150 nan 0.000 0.524 389 M N 3.914 123.591 119.600 0.129 0.000 3.442 389 M HA 0.042 4.522 4.480 0.001 0.000 0.232 389 M C 0.659 176.604 176.300 -0.592 0.000 1.508 389 M CA 0.181 55.308 55.300 -0.289 0.000 1.647 389 M CB -0.696 31.846 32.600 -0.096 0.000 1.126 389 M HN 0.733 nan 8.290 nan 0.000 0.557 390 T N -0.113 114.104 114.554 -0.562 0.000 4.058 390 T HA 0.319 4.669 4.350 0.001 0.000 0.252 390 T C -0.539 173.770 174.700 -0.652 0.000 1.264 390 T CA -0.310 61.654 62.100 -0.226 0.000 1.094 390 T CB -0.976 67.918 68.868 0.043 0.000 1.316 390 T HN 0.523 nan 8.240 nan 0.000 0.872 391 Y N -2.730 117.189 120.300 -0.634 0.000 2.853 391 Y HA 0.558 5.108 4.550 0.001 0.000 0.326 391 Y C -0.286 175.267 175.900 -0.578 0.000 1.384 391 Y CA -1.972 55.641 58.100 -0.813 0.000 1.077 391 Y CB -0.016 38.233 38.460 -0.351 0.000 1.395 391 Y HN 0.127 nan 8.280 nan 0.000 0.451 392 D N -0.310 120.108 120.400 0.030 0.000 2.870 392 D HA -0.183 4.458 4.640 0.001 0.000 0.228 392 D C 0.346 176.912 176.300 0.444 0.000 1.147 392 D CA 0.963 55.145 54.000 0.304 0.000 0.757 392 D CB -1.299 39.652 40.800 0.252 0.000 1.091 392 D HN 0.449 nan 8.370 nan 0.000 0.429 393 F N -0.570 119.634 119.950 0.424 0.000 2.206 393 F HA 0.053 4.581 4.527 0.000 0.000 0.298 393 F C 1.091 177.156 175.800 0.442 0.000 1.090 393 F CA 0.657 58.917 58.000 0.434 0.000 1.323 393 F CB -0.251 39.046 39.000 0.496 0.000 1.028 393 F HN 0.058 nan 8.300 nan 0.000 0.492 394 Y N -1.567 119.112 120.300 0.632 0.000 2.581 394 Y HA 0.649 5.199 4.550 0.000 0.000 0.345 394 Y C 0.458 176.253 175.900 -0.174 0.000 1.036 394 Y CA -1.094 57.220 58.100 0.358 0.000 1.042 394 Y CB 1.945 40.597 38.460 0.320 0.000 1.289 394 Y HN -0.073 nan 8.280 nan 0.000 0.471 395 G N -0.661 107.712 108.800 -0.711 0.000 2.430 395 G HA2 0.382 4.342 3.960 0.001 0.000 0.300 395 G HA3 0.382 4.342 3.960 0.001 0.000 0.300 395 G C 0.206 174.439 174.900 -1.113 0.000 1.330 395 G CA -0.192 44.150 45.100 -1.264 0.000 0.813 395 G HN 0.902 nan 8.290 nan 0.000 0.487 396 G N -0.672 107.607 108.800 -0.869 0.000 2.776 396 G HA2 0.100 4.060 3.960 0.001 0.000 0.209 396 G HA3 0.100 4.060 3.960 0.001 0.000 0.209 396 G C 1.280 176.119 174.900 -0.102 0.000 1.145 396 G CA 1.252 46.074 45.100 -0.463 0.000 0.791 396 G HN 0.814 nan 8.290 nan 0.000 0.530 397 W N 1.886 123.241 121.300 0.092 0.000 2.421 397 W HA 0.104 4.764 4.660 0.000 0.000 0.270 397 W C 0.577 177.185 176.519 0.148 0.000 1.233 397 W CA 0.316 57.722 57.345 0.102 0.000 1.226 397 W CB -0.567 28.943 29.460 0.082 0.000 1.121 397 W HN 0.292 nan 8.180 nan 0.000 0.579 398 N N -0.852 117.897 118.700 0.082 0.000 3.229 398 N HA 0.203 4.943 4.740 0.001 0.000 0.315 398 N C -0.280 175.333 175.510 0.172 0.000 1.520 398 N CA -0.847 52.299 53.050 0.159 0.000 0.769 398 N CB -0.080 38.527 38.487 0.201 0.000 1.766 398 N HN -0.170 nan 8.380 nan 0.000 0.618 399 N N -1.048 117.705 118.700 0.087 0.000 2.279 399 N HA 0.193 4.933 4.740 0.001 0.000 0.226 399 N C -0.927 174.421 175.510 -0.270 0.000 1.126 399 N CA 0.026 53.062 53.050 -0.023 0.000 0.846 399 N CB 0.406 38.888 38.487 -0.009 0.000 1.050 399 N HN 0.330 nan 8.380 nan 0.000 0.502 400 V N 2.944 122.723 119.914 -0.225 0.000 2.333 400 V HA 0.305 4.425 4.120 0.001 0.000 0.274 400 V C -2.069 173.638 176.094 -0.645 0.000 1.028 400 V CA -1.698 60.421 62.300 -0.302 0.000 0.851 400 V CB 1.356 33.175 31.823 -0.006 0.000 1.000 400 V HN -0.051 nan 8.190 nan 0.000 0.456 401 P HA 0.506 nan 4.420 nan 0.000 0.272 401 P C 0.219 176.765 177.300 -1.257 0.000 1.223 401 P CA 0.272 62.417 63.100 -1.592 0.000 0.784 401 P CB 0.886 31.797 31.700 -1.315 0.000 0.923 402 G N -0.131 107.935 108.800 -1.224 0.000 2.368 402 G HA2 0.225 4.186 3.960 0.001 0.000 0.293 402 G HA3 0.225 4.186 3.960 0.001 0.000 0.293 402 G C -1.939 172.494 174.900 -0.779 0.000 1.467 402 G CA -0.706 43.302 45.100 -1.820 0.000 0.804 402 G HN 0.527 nan 8.290 nan 0.000 0.535 403 H N 0.567 119.418 119.070 -0.365 0.000 2.819 403 H HA 0.255 4.811 4.556 0.001 0.000 0.303 403 H C 1.531 177.074 175.328 0.358 0.000 1.058 403 H CA 0.268 56.357 56.048 0.068 0.000 1.471 403 H CB 1.717 31.558 29.762 0.132 0.000 1.480 403 H HN 0.658 nan 8.280 nan 0.000 0.517 404 Q N 1.811 121.843 119.800 0.386 0.000 2.378 404 Q HA -0.062 4.278 4.340 0.001 0.000 0.205 404 Q C 1.041 177.034 176.000 -0.013 0.000 0.954 404 Q CA 1.508 57.505 55.803 0.322 0.000 0.901 404 Q CB 0.587 29.422 28.738 0.161 0.000 0.981 404 Q HN 0.560 nan 8.270 nan 0.000 0.483 405 T N -0.830 113.754 114.554 0.049 0.000 3.475 405 T HA 0.534 4.884 4.350 0.001 0.000 0.310 405 T C -0.296 174.481 174.700 0.129 0.000 0.963 405 T CA 0.055 62.062 62.100 -0.155 0.000 0.985 405 T CB -0.032 68.737 68.868 -0.164 0.000 1.198 405 T HN 0.441 nan 8.240 nan 0.000 0.508 406 A N 1.108 124.125 122.820 0.328 0.000 2.483 406 A HA 0.513 4.833 4.320 0.001 0.000 0.238 406 A C 1.383 179.002 177.584 0.058 0.000 1.070 406 A CA -0.221 51.895 52.037 0.131 0.000 0.770 406 A CB 0.060 19.153 19.000 0.154 0.000 1.008 406 A HN 0.458 nan 8.150 nan 0.000 0.497 407 L N 1.492 122.585 121.223 -0.216 0.000 2.044 407 L HA 0.084 4.425 4.340 0.001 0.000 0.205 407 L C 0.367 176.843 176.870 -0.657 0.000 1.075 407 L CA 1.814 56.295 54.840 -0.598 0.000 0.747 407 L CB -0.661 40.844 42.059 -0.924 0.000 0.903 407 L HN 0.726 nan 8.230 nan 0.000 0.435 408 Y N -3.414 116.845 120.300 -0.068 0.000 2.686 408 Y HA 0.384 4.935 4.550 0.001 0.000 0.330 408 Y C 0.364 176.252 175.900 -0.020 0.000 1.082 408 Y CA -1.516 56.553 58.100 -0.051 0.000 1.158 408 Y CB 0.487 38.921 38.460 -0.044 0.000 1.333 408 Y HN -0.369 nan 8.280 nan 0.000 0.519 409 c N 2.388 121.076 118.600 0.146 0.000 2.629 409 c HA 0.435 5.005 4.570 0.001 0.000 0.410 409 c C 1.129 175.223 174.090 0.008 0.000 1.339 409 c CA -0.671 55.667 56.329 0.015 0.000 1.810 409 c CB -1.184 41.279 42.510 -0.078 0.000 2.549 409 c HN 0.864 nan 8.230 nan 0.000 0.589 410 G N 2.043 110.854 108.800 0.019 0.000 2.606 410 G HA2 0.297 4.258 3.960 0.001 0.000 0.252 410 G HA3 0.297 4.258 3.960 0.001 0.000 0.252 410 G C 1.044 175.905 174.900 -0.065 0.000 1.206 410 G CA 0.043 45.235 45.100 0.155 0.000 0.861 410 G HN 0.777 nan 8.290 nan 0.000 0.561 411 S N -0.046 115.706 115.700 0.088 0.000 2.419 411 S HA -0.184 4.286 4.470 0.001 0.000 0.235 411 S C 2.027 176.607 174.600 -0.032 0.000 1.019 411 S CA 2.006 60.219 58.200 0.022 0.000 0.982 411 S CB -0.516 62.733 63.200 0.081 0.000 0.789 411 S HN 0.713 nan 8.310 nan 0.000 0.490 412 F N 0.847 120.738 119.950 -0.099 0.000 2.451 412 F HA 0.316 4.843 4.527 0.001 0.000 0.299 412 F C 0.782 176.503 175.800 -0.132 0.000 1.101 412 F CA -0.166 57.733 58.000 -0.167 0.000 1.436 412 F CB -0.640 38.179 39.000 -0.302 0.000 1.074 412 F HN 0.083 nan 8.300 nan 0.000 0.553 413 M N 1.777 120.851 119.600 -0.877 0.000 2.238 413 M HA 0.212 4.692 4.480 0.001 0.000 0.347 413 M C 0.319 176.442 176.300 -0.294 0.000 1.173 413 M CA 0.108 55.004 55.300 -0.673 0.000 1.147 413 M CB 0.806 32.982 32.600 -0.707 0.000 1.547 413 M HN 0.038 nan 8.290 nan 0.000 0.455 414 R N 2.143 122.533 120.500 -0.183 0.000 2.582 414 R HA 0.268 4.608 4.340 0.001 0.000 0.271 414 R C -2.301 173.949 176.300 -0.084 0.000 1.078 414 R CA -1.467 54.590 56.100 -0.072 0.000 1.127 414 R CB -0.215 30.112 30.300 0.044 0.000 1.038 414 R HN 0.324 nan 8.270 nan 0.000 0.500 415 P HA -0.037 nan 4.420 nan 0.000 0.262 415 P C 0.472 177.759 177.300 -0.022 0.000 1.182 415 P CA 1.022 64.095 63.100 -0.045 0.000 0.761 415 P CB 0.613 32.297 31.700 -0.027 0.000 0.795 416 G N 2.504 111.273 108.800 -0.051 0.000 2.225 416 G HA2 -0.347 3.614 3.960 0.001 0.000 0.254 416 G HA3 -0.347 3.614 3.960 0.001 0.000 0.254 416 G C 1.132 175.968 174.900 -0.107 0.000 0.988 416 G CA 0.478 45.559 45.100 -0.032 0.000 0.625 416 G HN 0.565 nan 8.290 nan 0.000 0.527 417 Q N -0.353 119.292 119.800 -0.258 0.000 2.083 417 Q HA -0.062 4.278 4.340 0.001 0.000 0.198 417 Q C 2.734 178.423 176.000 -0.517 0.000 0.969 417 Q CA 2.056 57.418 55.803 -0.735 0.000 0.838 417 Q CB -0.441 27.841 28.738 -0.760 0.000 0.900 417 Q HN 0.800 nan 8.270 nan 0.000 0.436 418 c N 2.088 120.501 118.600 -0.313 0.000 2.388 418 c HA -0.172 4.398 4.570 0.001 0.000 0.277 418 c C 2.352 176.334 174.090 -0.181 0.000 1.210 418 c CA 1.741 57.938 56.329 -0.220 0.000 1.743 418 c CB -1.000 41.420 42.510 -0.150 0.000 2.047 418 c HN 0.806 nan 8.230 nan 0.000 0.458 419 D N -1.216 119.095 120.400 -0.149 0.000 2.277 419 D HA 0.113 4.754 4.640 0.001 0.000 0.208 419 D C 1.583 177.798 176.300 -0.141 0.000 0.962 419 D CA 1.343 55.274 54.000 -0.116 0.000 0.865 419 D CB -0.479 40.274 40.800 -0.078 0.000 0.939 419 D HN 0.755 nan 8.370 nan 0.000 0.510 420 G N 0.244 108.941 108.800 -0.171 0.000 2.157 420 G HA2 -0.220 3.741 3.960 0.001 0.000 0.239 420 G HA3 -0.220 3.741 3.960 0.001 0.000 0.239 420 G C 1.027 175.923 174.900 -0.008 0.000 0.982 420 G CA 0.245 45.264 45.100 -0.135 0.000 0.650 420 G HN 0.654 nan 8.290 nan 0.000 0.527 421 G N 0.017 108.811 108.800 -0.009 0.000 3.042 421 G HA2 0.522 4.482 3.960 0.001 0.000 0.212 421 G HA3 0.522 4.482 3.960 0.001 0.000 0.212 421 G C 0.974 175.906 174.900 0.054 0.000 1.166 421 G CA 1.135 46.242 45.100 0.012 0.000 0.767 421 G HN 1.101 nan 8.290 nan 0.000 0.546 422 G N -0.772 108.113 108.800 0.141 0.000 2.574 422 G HA2 0.498 4.458 3.960 0.001 0.000 0.248 422 G HA3 0.498 4.458 3.960 0.001 0.000 0.248 422 G C -1.147 173.841 174.900 0.146 0.000 1.422 422 G CA -0.350 44.850 45.100 0.167 0.000 1.051 422 G HN 0.161 nan 8.290 nan 0.000 0.560 423 V N 0.821 120.756 119.914 0.035 0.000 2.876 423 V HA 0.365 4.485 4.120 0.001 0.000 0.312 423 V C -0.514 175.350 176.094 -0.384 0.000 1.085 423 V CA -0.606 61.542 62.300 -0.253 0.000 0.945 423 V CB 1.967 33.712 31.823 -0.130 0.000 1.017 423 V HN 1.004 nan 8.190 nan 0.000 0.428 424 D N 2.206 122.210 120.400 -0.659 0.000 2.403 424 D HA 0.110 4.750 4.640 0.001 0.000 0.278 424 D C 1.075 177.283 176.300 -0.153 0.000 1.230 424 D CA -0.137 53.619 54.000 -0.407 0.000 1.062 424 D CB 0.477 41.005 40.800 -0.454 0.000 1.119 424 D HN 0.491 nan 8.370 nan 0.000 0.557 425 E N -1.010 119.140 120.200 -0.082 0.000 2.072 425 E HA -0.130 4.220 4.350 0.001 0.000 0.191 425 E C 1.248 177.812 176.600 -0.059 0.000 0.985 425 E CA 1.114 57.485 56.400 -0.048 0.000 0.801 425 E CB -0.165 29.521 29.700 -0.024 0.000 0.750 425 E HN 0.342 nan 8.360 nan 0.000 0.452 426 N N -0.634 118.022 118.700 -0.074 0.000 2.461 426 N HA 0.030 4.770 4.740 0.001 0.000 0.188 426 N C 0.747 176.213 175.510 -0.074 0.000 1.134 426 N CA 0.954 53.965 53.050 -0.064 0.000 0.878 426 N CB 0.882 39.335 38.487 -0.057 0.000 0.972 426 N HN 0.346 nan 8.380 nan 0.000 0.456 427 G N 0.770 109.512 108.800 -0.097 0.000 2.176 427 G HA2 -0.265 3.695 3.960 0.001 0.000 0.253 427 G HA3 -0.265 3.695 3.960 0.001 0.000 0.253 427 G C -0.152 174.676 174.900 -0.120 0.000 0.979 427 G CA -0.174 44.869 45.100 -0.095 0.000 0.641 427 G HN 0.410 nan 8.290 nan 0.000 0.530 428 E N 1.610 121.719 120.200 -0.152 0.000 2.289 428 E HA 0.372 4.722 4.350 0.001 0.000 0.278 428 E C -2.302 174.143 176.600 -0.258 0.000 1.032 428 E CA -1.828 54.475 56.400 -0.162 0.000 0.854 428 E CB 1.023 30.643 29.700 -0.134 0.000 1.046 428 E HN 0.173 nan 8.360 nan 0.000 0.409 429 P HA -0.072 nan 4.420 nan 0.000 0.269 429 P C -0.986 176.173 177.300 -0.234 0.000 1.209 429 P CA 0.286 63.269 63.100 -0.196 0.000 0.776 429 P CB 0.272 31.919 31.700 -0.087 0.000 0.876 430 Y N 0.967 121.226 120.300 -0.069 0.000 2.480 430 Y HA 0.033 4.583 4.550 0.000 0.000 0.338 430 Y C 1.854 177.684 175.900 -0.117 0.000 1.220 430 Y CA 0.445 58.489 58.100 -0.093 0.000 1.430 430 Y CB 0.434 38.823 38.460 -0.118 0.000 1.311 430 Y HN 0.338 nan 8.280 nan 0.000 0.575 431 K N 1.473 121.896 120.400 0.038 0.000 2.393 431 K HA 0.285 4.606 4.320 0.001 0.000 0.193 431 K C 0.466 176.875 176.600 -0.318 0.000 1.026 431 K CA 0.342 56.610 56.287 -0.031 0.000 1.064 431 K CB 0.509 33.070 32.500 0.102 0.000 0.833 431 K HN 0.868 nan 8.250 nan 0.000 0.521 432 G N 1.476 109.923 108.800 -0.588 0.000 2.451 432 G HA2 0.174 4.134 3.960 0.001 0.000 0.292 432 G HA3 0.174 4.134 3.960 0.001 0.000 0.292 432 G C -3.195 171.301 174.900 -0.673 0.000 1.427 432 G CA -1.088 43.333 45.100 -1.133 0.000 0.792 432 G HN -0.297 nan 8.290 nan 0.000 0.498 433 P HA 0.388 nan 4.420 nan 0.000 0.267 433 P C 0.443 177.646 177.300 -0.162 0.000 1.200 433 P CA 0.307 63.266 63.100 -0.235 0.000 0.772 433 P CB 0.738 32.368 31.700 -0.117 0.000 0.855 434 A N 2.966 125.678 122.820 -0.180 0.000 2.448 434 A HA 0.087 4.408 4.320 0.001 0.000 0.239 434 A C -0.217 177.365 177.584 -0.002 0.000 1.080 434 A CA -0.025 51.921 52.037 -0.152 0.000 0.779 434 A CB -0.582 18.311 19.000 -0.178 0.000 1.026 434 A HN 0.430 nan 8.150 nan 0.000 0.499 435 Y N 1.701 121.925 120.300 -0.127 0.000 2.640 435 Y HA 0.347 4.897 4.550 0.000 0.000 0.355 435 Y C 1.319 176.765 175.900 -0.757 0.000 1.088 435 Y CA 0.233 58.113 58.100 -0.366 0.000 1.443 435 Y CB -0.564 37.778 38.460 -0.198 0.000 1.224 435 Y HN 0.755 nan 8.280 nan 0.000 0.516 436 T N -2.121 112.012 114.554 -0.702 0.000 2.883 436 T HA 0.742 5.092 4.350 0.001 0.000 0.296 436 T C 0.936 175.290 174.700 -0.577 0.000 1.117 436 T CA -0.393 61.272 62.100 -0.724 0.000 1.006 436 T CB 1.675 70.429 68.868 -0.191 0.000 1.191 436 T HN 0.312 nan 8.240 nan 0.000 0.508 437 A N 0.730 123.462 122.820 -0.147 0.000 1.858 437 A HA -0.024 4.297 4.320 0.001 0.000 0.216 437 A C 1.916 179.442 177.584 -0.096 0.000 1.190 437 A CA 2.283 54.325 52.037 0.008 0.000 0.617 437 A CB -1.411 17.563 19.000 -0.044 0.000 0.827 437 A HN 1.006 nan 8.150 nan 0.000 0.443 438 D N -0.464 119.821 120.400 -0.192 0.000 2.144 438 D HA -0.155 4.486 4.640 0.001 0.000 0.199 438 D C 1.711 178.044 176.300 0.056 0.000 0.984 438 D CA 1.493 55.483 54.000 -0.017 0.000 0.834 438 D CB -0.159 40.672 40.800 0.051 0.000 0.955 438 D HN 0.350 nan 8.370 nan 0.000 0.465 439 N N -0.236 118.462 118.700 -0.005 0.000 2.069 439 N HA -0.089 4.651 4.740 0.001 0.000 0.191 439 N C 1.867 177.384 175.510 0.011 0.000 1.031 439 N CA 1.457 54.508 53.050 0.002 0.000 0.852 439 N CB -0.902 37.566 38.487 -0.031 0.000 1.018 439 N HN 0.346 nan 8.380 nan 0.000 0.423 440 G N 1.707 110.496 108.800 -0.019 0.000 2.433 440 G HA2 -0.166 3.795 3.960 0.001 0.000 0.216 440 G HA3 -0.166 3.795 3.960 0.001 0.000 0.216 440 G C 1.486 176.399 174.900 0.020 0.000 1.186 440 G CA 0.396 45.493 45.100 -0.005 0.000 0.779 440 G HN 0.164 nan 8.290 nan 0.000 0.543 441 I N 0.867 121.471 120.570 0.056 0.000 2.163 441 I HA -0.147 4.024 4.170 0.001 0.000 0.243 441 I C 2.891 179.050 176.117 0.070 0.000 1.085 441 I CA 1.113 62.464 61.300 0.085 0.000 1.347 441 I CB -1.004 37.111 38.000 0.193 0.000 1.044 441 I HN 0.213 nan 8.210 nan 0.000 0.408 442 Q N 0.391 120.241 119.800 0.083 0.000 2.124 442 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 442 Q C 2.449 178.475 176.000 0.044 0.000 0.977 442 Q CA 1.219 57.061 55.803 0.065 0.000 0.850 442 Q CB -0.544 28.238 28.738 0.073 0.000 0.901 442 Q HN 0.511 nan 8.270 nan 0.000 0.429 443 L N -0.026 121.222 121.223 0.041 0.000 2.046 443 L HA -0.191 4.150 4.340 0.001 0.000 0.208 443 L C 2.384 179.277 176.870 0.039 0.000 1.077 443 L CA 0.834 55.700 54.840 0.042 0.000 0.747 443 L CB -0.446 41.645 42.059 0.053 0.000 0.896 443 L HN 0.172 nan 8.230 nan 0.000 0.432 444 L N -0.838 120.396 121.223 0.019 0.000 2.027 444 L HA -0.221 4.119 4.340 0.001 0.000 0.206 444 L C 2.470 179.352 176.870 0.019 0.000 1.074 444 L CA 1.125 55.967 54.840 0.003 0.000 0.745 444 L CB -0.434 41.588 42.059 -0.062 0.000 0.898 444 L HN 0.227 nan 8.230 nan 0.000 0.433 445 L N -0.331 120.903 121.223 0.018 0.000 2.042 445 L HA -0.215 4.126 4.340 0.001 0.000 0.210 445 L C 2.823 179.706 176.870 0.021 0.000 1.076 445 L CA 1.172 56.022 54.840 0.017 0.000 0.749 445 L CB -0.758 41.310 42.059 0.016 0.000 0.893 445 L HN 0.262 nan 8.230 nan 0.000 0.432 446 A N -0.751 122.085 122.820 0.026 0.000 2.019 446 A HA -0.218 4.102 4.320 0.001 0.000 0.219 446 A C 2.191 179.793 177.584 0.029 0.000 1.164 446 A CA 1.311 53.363 52.037 0.025 0.000 0.644 446 A CB -0.351 18.665 19.000 0.027 0.000 0.805 446 A HN 0.506 nan 8.150 nan 0.000 0.449 447 Q N -2.014 117.810 119.800 0.040 0.000 2.311 447 Q HA 0.145 4.485 4.340 0.001 0.000 0.203 447 Q C 1.235 177.258 176.000 0.038 0.000 0.954 447 Q CA 0.688 56.520 55.803 0.048 0.000 0.885 447 Q CB 0.041 28.829 28.738 0.084 0.000 0.963 447 Q HN 0.904 nan 8.270 nan 0.000 0.471 448 G N 0.179 108.997 108.800 0.030 0.000 2.175 448 G HA2 -0.190 3.771 3.960 0.001 0.000 0.182 448 G HA3 -0.190 3.771 3.960 0.001 0.000 0.182 448 G C 0.008 174.919 174.900 0.018 0.000 1.003 448 G CA -0.192 44.919 45.100 0.019 0.000 0.666 448 G HN 0.148 nan 8.290 nan 0.000 0.506 449 V N 3.231 123.162 119.914 0.028 0.000 2.529 449 V HA 0.346 4.466 4.120 0.001 0.000 0.292 449 V C -0.990 175.104 176.094 0.001 0.000 1.028 449 V CA -0.787 61.525 62.300 0.020 0.000 1.074 449 V CB 0.910 32.745 31.823 0.019 0.000 0.958 449 V HN 0.296 nan 8.190 nan 0.000 0.481 450 P HA 0.152 nan 4.420 nan 0.000 0.271 450 P C 0.511 177.804 177.300 -0.012 0.000 1.216 450 P CA -0.137 62.955 63.100 -0.013 0.000 0.771 450 P CB 1.220 32.907 31.700 -0.022 0.000 0.864 451 A N 4.407 127.220 122.820 -0.011 0.000 1.940 451 A HA -0.239 4.082 4.320 0.001 0.000 0.219 451 A C 1.632 179.217 177.584 0.001 0.000 1.176 451 A CA 2.000 54.030 52.037 -0.011 0.000 0.631 451 A CB -1.367 17.619 19.000 -0.024 0.000 0.814 451 A HN 0.697 nan 8.150 nan 0.000 0.446 452 N N -0.564 118.138 118.700 0.004 0.000 2.571 452 N HA -0.058 4.682 4.740 0.001 0.000 0.189 452 N C 0.807 176.346 175.510 0.047 0.000 1.154 452 N CA 1.047 54.112 53.050 0.026 0.000 0.907 452 N CB -0.216 38.282 38.487 0.019 0.000 0.977 452 N HN 0.554 nan 8.380 nan 0.000 0.449 453 K N -0.369 120.042 120.400 0.018 0.000 2.373 453 K HA 0.273 4.594 4.320 0.001 0.000 0.200 453 K C -0.148 176.469 176.600 0.027 0.000 1.054 453 K CA -0.167 56.127 56.287 0.012 0.000 1.065 453 K CB 0.737 33.193 32.500 -0.072 0.000 0.886 453 K HN 0.155 nan 8.250 nan 0.000 0.546 454 L N 2.218 123.449 121.223 0.014 0.000 2.276 454 L HA 0.254 4.595 4.340 0.001 0.000 0.286 454 L C -0.420 176.462 176.870 0.020 0.000 1.061 454 L CA -0.766 54.072 54.840 -0.004 0.000 0.807 454 L CB 1.453 43.517 42.059 0.008 0.000 1.177 454 L HN -0.240 nan 8.230 nan 0.000 0.429 455 V N 4.553 124.469 119.914 0.004 0.000 2.417 455 V HA 0.306 4.426 4.120 0.001 0.000 0.291 455 V C -0.101 176.212 176.094 0.365 0.000 1.024 455 V CA -0.660 61.714 62.300 0.123 0.000 0.861 455 V CB 1.883 33.716 31.823 0.017 0.000 0.985 455 V HN 0.436 nan 8.190 nan 0.000 0.436 456 L N 4.547 125.965 121.223 0.326 0.000 2.305 456 L HA 0.745 5.086 4.340 0.001 0.000 0.281 456 L C 0.779 177.759 176.870 0.183 0.000 1.085 456 L CA 0.526 55.527 54.840 0.268 0.000 0.813 456 L CB 1.032 43.203 42.059 0.186 0.000 1.157 456 L HN 0.758 nan 8.230 nan 0.000 0.436 457 G N 2.717 111.514 108.800 -0.005 0.000 2.353 457 G HA2 0.481 4.441 3.960 0.001 0.000 0.284 457 G HA3 0.481 4.441 3.960 0.001 0.000 0.284 457 G C -0.396 174.398 174.900 -0.177 0.000 1.172 457 G CA 0.103 44.897 45.100 -0.510 0.000 0.854 457 G HN 0.791 nan 8.290 nan 0.000 0.485 458 T N -0.718 113.736 114.554 -0.165 0.000 2.856 458 T HA 0.723 5.074 4.350 0.001 0.000 0.283 458 T C -0.016 174.663 174.700 -0.035 0.000 1.008 458 T CA -0.500 61.564 62.100 -0.060 0.000 0.997 458 T CB 2.025 70.841 68.868 -0.087 0.000 0.992 458 T HN 0.956 nan 8.240 nan 0.000 0.454 459 A N 3.579 126.339 122.820 -0.100 0.000 2.290 459 A HA 0.671 4.991 4.320 0.001 0.000 0.310 459 A C 0.603 178.105 177.584 -0.136 0.000 1.202 459 A CA -0.976 50.896 52.037 -0.275 0.000 0.837 459 A CB 0.336 18.974 19.000 -0.603 0.000 1.139 459 A HN 0.987 nan 8.150 nan 0.000 0.509 460 M N 2.310 121.930 119.600 0.033 0.000 2.637 460 M HA 0.242 4.722 4.480 0.001 0.000 0.286 460 M C -1.012 175.465 176.300 0.295 0.000 1.246 460 M CA 0.206 55.572 55.300 0.110 0.000 0.978 460 M CB -0.406 32.233 32.600 0.065 0.000 1.417 460 M HN 0.757 nan 8.290 nan 0.000 0.487 461 Y N -3.433 116.945 120.300 0.129 0.000 2.609 461 Y HA 0.848 5.399 4.550 0.000 0.000 0.336 461 Y C -0.522 175.481 175.900 0.172 0.000 1.129 461 Y CA -1.845 56.342 58.100 0.145 0.000 1.040 461 Y CB 0.359 38.891 38.460 0.120 0.000 1.310 461 Y HN -0.062 nan 8.280 nan 0.000 0.460 462 G N 1.819 110.743 108.800 0.207 0.000 2.441 462 G HA2 0.710 4.670 3.960 0.001 0.000 0.334 462 G HA3 0.710 4.670 3.960 0.001 0.000 0.334 462 G C -1.233 173.759 174.900 0.153 0.000 1.161 462 G CA -1.413 43.781 45.100 0.157 0.000 0.935 462 G HN 0.692 nan 8.290 nan 0.000 0.488 463 R N -0.659 119.861 120.500 0.034 0.000 2.732 463 R HA 0.731 5.071 4.340 0.001 0.000 0.278 463 R C -0.152 175.911 176.300 -0.396 0.000 0.976 463 R CA -0.536 55.467 56.100 -0.162 0.000 0.963 463 R CB 2.308 32.476 30.300 -0.220 0.000 1.150 463 R HN 0.724 nan 8.270 nan 0.000 0.478 464 G N 0.658 109.069 108.800 -0.648 0.000 2.677 464 G HA2 0.536 4.496 3.960 0.001 0.000 0.291 464 G HA3 0.536 4.496 3.960 0.001 0.000 0.291 464 G C -1.764 172.723 174.900 -0.688 0.000 1.435 464 G CA -0.576 44.186 45.100 -0.562 0.000 0.826 464 G HN 0.368 nan 8.290 nan 0.000 0.491 465 W N -0.196 121.117 121.300 0.021 0.000 2.992 465 W HA 0.586 5.246 4.660 -0.000 0.000 0.342 465 W C -0.151 176.397 176.519 0.049 0.000 1.176 465 W CA -0.632 56.715 57.345 0.003 0.000 1.118 465 W CB 2.188 31.619 29.460 -0.048 0.000 1.457 465 W HN 0.834 nan 8.180 nan 0.000 0.573 466 E N -1.012 119.356 120.200 0.280 0.000 2.359 466 E HA 0.628 4.979 4.350 0.001 0.000 0.266 466 E C 0.509 177.198 176.600 0.148 0.000 0.920 466 E CA -0.540 55.974 56.400 0.190 0.000 0.788 466 E CB 2.031 31.805 29.700 0.124 0.000 1.279 466 E HN 0.567 nan 8.360 nan 0.000 0.438 467 G N 0.205 109.069 108.800 0.107 0.000 2.143 467 G HA2 -0.265 3.695 3.960 0.001 0.000 0.249 467 G HA3 -0.265 3.695 3.960 0.001 0.000 0.249 467 G C 0.211 175.147 174.900 0.061 0.000 0.981 467 G CA 0.117 45.258 45.100 0.069 0.000 0.665 467 G HN 0.458 nan 8.290 nan 0.000 0.528 468 V N 2.978 122.952 119.914 0.099 0.000 2.008 468 V HA 0.364 4.484 4.120 0.001 0.000 0.262 468 V C 1.314 177.564 176.094 0.261 0.000 1.580 468 V CA 0.454 62.792 62.300 0.063 0.000 1.515 468 V CB -0.720 31.058 31.823 -0.076 0.000 1.474 468 V HN 0.662 nan 8.190 nan 0.000 0.504 469 T N 1.209 115.861 114.554 0.165 0.000 2.882 469 T HA 0.316 4.667 4.350 0.001 0.000 0.287 469 T C -1.535 173.302 174.700 0.228 0.000 1.014 469 T CA -1.868 60.340 62.100 0.180 0.000 1.049 469 T CB 1.472 70.374 68.868 0.058 0.000 1.001 469 T HN 0.217 nan 8.240 nan 0.000 0.525 470 P HA -0.174 nan 4.420 nan 0.000 0.217 470 P C 1.399 178.764 177.300 0.109 0.000 1.148 470 P CA 1.262 64.518 63.100 0.260 0.000 0.834 470 P CB -0.052 31.744 31.700 0.159 0.000 0.783 471 D N -1.226 119.210 120.400 0.060 0.000 2.264 471 D HA -0.125 4.515 4.640 0.001 0.000 0.208 471 D C 1.381 177.682 176.300 0.001 0.000 0.966 471 D CA 1.768 55.782 54.000 0.023 0.000 0.864 471 D CB -1.175 39.632 40.800 0.012 0.000 0.933 471 D HN 0.250 nan 8.370 nan 0.000 0.499 472 T N -1.610 112.941 114.554 -0.005 0.000 3.067 472 T HA 0.078 4.428 4.350 0.001 0.000 0.261 472 T C 0.950 175.601 174.700 -0.081 0.000 1.110 472 T CA -0.348 61.725 62.100 -0.046 0.000 1.113 472 T CB -0.251 68.580 68.868 -0.062 0.000 0.917 472 T HN -0.086 nan 8.240 nan 0.000 0.499 473 L N 3.311 124.488 121.223 -0.077 0.000 2.380 473 L HA 0.330 4.671 4.340 0.001 0.000 0.273 473 L C 1.894 178.715 176.870 -0.082 0.000 1.138 473 L CA 0.282 55.048 54.840 -0.123 0.000 0.832 473 L CB 1.247 43.222 42.059 -0.139 0.000 1.124 473 L HN 0.376 nan 8.230 nan 0.000 0.454 474 T N -2.325 112.174 114.554 -0.092 0.000 2.978 474 T HA 0.021 4.372 4.350 0.001 0.000 0.262 474 T C 0.509 175.179 174.700 -0.051 0.000 1.063 474 T CA 0.284 62.348 62.100 -0.060 0.000 1.140 474 T CB -0.055 68.781 68.868 -0.054 0.000 0.886 474 T HN 0.419 nan 8.240 nan 0.000 0.470 475 D N 2.692 123.049 120.400 -0.071 0.000 2.460 475 D HA 0.346 4.986 4.640 0.001 0.000 0.232 475 D C -1.661 174.600 176.300 -0.064 0.000 1.079 475 D CA -2.804 51.164 54.000 -0.054 0.000 0.864 475 D CB 1.942 42.712 40.800 -0.051 0.000 1.048 475 D HN -0.040 nan 8.370 nan 0.000 0.523 476 P HA -0.125 nan 4.420 nan 0.000 0.221 476 P C 0.306 177.643 177.300 0.062 0.000 1.145 476 P CA 0.858 63.973 63.100 0.025 0.000 0.795 476 P CB 0.402 32.131 31.700 0.048 0.000 0.775 477 N N -0.226 118.501 118.700 0.045 0.000 2.328 477 N HA 0.041 4.782 4.740 0.001 0.000 0.247 477 N C -0.547 174.977 175.510 0.024 0.000 1.165 477 N CA -0.050 53.060 53.050 0.099 0.000 0.873 477 N CB 0.325 38.899 38.487 0.145 0.000 1.125 477 N HN -0.017 nan 8.380 nan 0.000 0.513 478 D N 0.601 120.909 120.400 -0.154 0.000 2.358 478 D HA 0.190 4.830 4.640 0.001 0.000 0.253 478 D C -1.844 174.069 176.300 -0.645 0.000 1.288 478 D CA -1.941 51.874 54.000 -0.308 0.000 0.950 478 D CB 1.724 42.437 40.800 -0.146 0.000 1.197 478 D HN 0.010 nan 8.370 nan 0.000 0.550 479 P HA -0.108 nan 4.420 nan 0.000 0.225 479 P C 1.371 178.020 177.300 -1.086 0.000 1.148 479 P CA 0.492 62.693 63.100 -1.497 0.000 0.779 479 P CB 0.189 30.462 31.700 -2.378 0.000 0.780 480 M N -0.348 118.663 119.600 -0.982 0.000 2.630 480 M HA -0.001 4.479 4.480 0.001 0.000 0.254 480 M C 1.432 177.307 176.300 -0.708 0.000 1.092 480 M CA 1.311 56.022 55.300 -0.981 0.000 1.087 480 M CB -1.603 30.310 32.600 -1.145 0.000 1.453 480 M HN 0.064 nan 8.290 nan 0.000 0.509 481 T N -2.900 111.362 114.554 -0.487 0.000 3.122 481 T HA 0.353 4.704 4.350 0.001 0.000 0.250 481 T C 0.949 175.468 174.700 -0.302 0.000 1.067 481 T CA 0.041 61.968 62.100 -0.288 0.000 0.966 481 T CB -0.069 68.694 68.868 -0.175 0.000 1.002 481 T HN 0.270 nan 8.240 nan 0.000 0.542 482 G N 0.600 109.148 108.800 -0.420 0.000 2.531 482 G HA2 0.572 4.533 3.960 0.001 0.000 0.281 482 G HA3 0.572 4.533 3.960 0.001 0.000 0.281 482 G C -0.978 173.722 174.900 -0.333 0.000 1.382 482 G CA -0.598 44.296 45.100 -0.344 0.000 1.045 482 G HN 0.339 nan 8.290 nan 0.000 0.533 483 T N -0.329 114.065 114.554 -0.266 0.000 2.971 483 T HA 0.622 4.972 4.350 0.001 0.000 0.304 483 T C -0.019 174.559 174.700 -0.203 0.000 1.038 483 T CA -0.023 61.931 62.100 -0.243 0.000 1.007 483 T CB 1.647 70.427 68.868 -0.147 0.000 1.055 483 T HN 0.874 nan 8.240 nan 0.000 0.451 484 A N 1.516 124.193 122.820 -0.238 0.000 2.286 484 A HA 0.663 4.984 4.320 0.001 0.000 0.286 484 A C 1.413 178.988 177.584 -0.015 0.000 1.097 484 A CA -0.185 51.787 52.037 -0.108 0.000 0.821 484 A CB 0.301 19.240 19.000 -0.102 0.000 1.076 484 A HN 0.961 nan 8.150 nan 0.000 0.490 485 T N -1.974 112.605 114.554 0.042 0.000 3.037 485 T HA 0.512 4.863 4.350 0.001 0.000 0.252 485 T C 0.795 175.540 174.700 0.075 0.000 1.073 485 T CA 0.779 62.907 62.100 0.046 0.000 1.091 485 T CB -0.014 68.877 68.868 0.039 0.000 0.935 485 T HN 1.898 nan 8.240 nan 0.000 0.488 486 G N 0.334 109.206 108.800 0.120 0.000 2.341 486 G HA2 0.446 4.406 3.960 0.001 0.000 0.299 486 G HA3 0.446 4.406 3.960 0.001 0.000 0.299 486 G C -1.899 173.101 174.900 0.166 0.000 1.274 486 G CA -1.181 43.996 45.100 0.128 0.000 0.853 486 G HN 0.238 nan 8.290 nan 0.000 0.493 487 K N -0.355 120.097 120.400 0.086 0.000 2.202 487 K HA 0.456 4.776 4.320 0.001 0.000 0.264 487 K C -0.027 176.581 176.600 0.013 0.000 1.010 487 K CA -0.571 55.717 56.287 0.002 0.000 0.940 487 K CB 1.607 34.089 32.500 -0.030 0.000 0.983 487 K HN 0.372 nan 8.250 nan 0.000 0.475 488 L N 2.313 123.513 121.223 -0.039 0.000 2.559 488 L HA -0.007 4.333 4.340 0.001 0.000 0.274 488 L C -0.658 176.206 176.870 -0.010 0.000 1.205 488 L CA 0.981 55.823 54.840 0.003 0.000 0.907 488 L CB 0.016 42.062 42.059 -0.022 0.000 1.153 488 L HN 0.418 nan 8.230 nan 0.000 0.490 489 K N 3.080 123.483 120.400 0.007 0.000 2.221 489 K HA 0.958 5.278 4.320 0.001 0.000 0.243 489 K C -0.113 176.461 176.600 -0.043 0.000 0.968 489 K CA -0.130 56.146 56.287 -0.018 0.000 0.846 489 K CB 1.914 34.410 32.500 -0.006 0.000 1.141 489 K HN 0.855 nan 8.250 nan 0.000 0.434 490 G N -0.554 108.198 108.800 -0.080 0.000 2.336 490 G HA2 0.242 4.203 3.960 0.001 0.000 0.286 490 G HA3 0.242 4.203 3.960 0.001 0.000 0.286 490 G C -1.464 173.331 174.900 -0.177 0.000 1.269 490 G CA -0.568 44.455 45.100 -0.129 0.000 0.873 490 G HN 0.623 nan 8.290 nan 0.000 0.494 491 S N -1.504 114.046 115.700 -0.249 0.000 2.651 491 S HA 0.600 5.070 4.470 0.001 0.000 0.291 491 S C 1.510 175.851 174.600 -0.431 0.000 1.141 491 S CA 0.808 58.836 58.200 -0.286 0.000 1.027 491 S CB 1.507 64.549 63.200 -0.263 0.000 1.043 491 S HN 1.810 nan 8.310 nan 0.000 0.530 492 T N -1.365 112.885 114.554 -0.506 0.000 2.962 492 T HA -0.004 4.346 4.350 0.001 0.000 0.270 492 T C 1.923 176.192 174.700 -0.719 0.000 1.088 492 T CA 0.884 62.421 62.100 -0.938 0.000 1.127 492 T CB -0.868 67.401 68.868 -0.999 0.000 0.883 492 T HN 0.890 nan 8.240 nan 0.000 0.493 493 A N 1.695 124.268 122.820 -0.413 0.000 1.978 493 A HA -0.093 4.228 4.320 0.001 0.000 0.220 493 A C 2.278 179.664 177.584 -0.330 0.000 1.170 493 A CA 1.290 53.170 52.037 -0.262 0.000 0.636 493 A CB -0.625 18.255 19.000 -0.199 0.000 0.810 493 A HN 0.647 nan 8.150 nan 0.000 0.448 494 Q N -1.711 117.756 119.800 -0.555 0.000 2.320 494 Q HA 0.277 4.617 4.340 0.001 0.000 0.201 494 Q C 0.917 176.731 176.000 -0.311 0.000 0.910 494 Q CA 0.300 55.696 55.803 -0.677 0.000 0.946 494 Q CB 0.224 28.447 28.738 -0.859 0.000 1.062 494 Q HN 0.875 nan 8.270 nan 0.000 0.503 495 G N 0.576 109.161 108.800 -0.358 0.000 2.143 495 G HA2 -0.233 3.728 3.960 0.001 0.000 0.249 495 G HA3 -0.233 3.728 3.960 0.001 0.000 0.249 495 G C 0.084 174.743 174.900 -0.400 0.000 0.981 495 G CA -0.008 44.929 45.100 -0.272 0.000 0.665 495 G HN 0.233 nan 8.290 nan 0.000 0.528 496 V N 0.396 119.994 119.914 -0.526 0.000 2.304 496 V HA 0.401 4.521 4.120 0.001 0.000 0.262 496 V C 1.066 176.908 176.094 -0.419 0.000 1.061 496 V CA -0.141 61.962 62.300 -0.329 0.000 0.872 496 V CB 0.070 31.759 31.823 -0.223 0.000 1.077 496 V HN 0.430 nan 8.190 nan 0.000 0.480 497 W N 2.082 123.382 121.300 0.000 0.000 3.077 497 W HA 0.317 4.977 4.660 0.001 0.000 0.266 497 W C 0.991 177.516 176.519 0.009 0.000 1.300 497 W CA -0.156 57.199 57.345 0.016 0.000 1.586 497 W CB 0.723 30.209 29.460 0.043 0.000 1.103 497 W HN 0.496 nan 8.180 nan 0.000 0.652 498 E N 0.556 120.851 120.200 0.160 0.000 2.363 498 E HA 0.081 4.431 4.350 0.001 0.000 0.281 498 E C -1.373 175.249 176.600 0.037 0.000 0.953 498 E CA -0.719 55.736 56.400 0.092 0.000 0.778 498 E CB 1.261 31.021 29.700 0.101 0.000 1.220 498 E HN -0.337 nan 8.360 nan 0.000 0.431 499 D N 1.751 122.160 120.400 0.016 0.000 2.533 499 D HA 0.224 4.864 4.640 0.001 0.000 0.236 499 D C 1.076 177.360 176.300 -0.028 0.000 1.137 499 D CA 2.228 56.223 54.000 -0.008 0.000 0.867 499 D CB 0.816 41.617 40.800 0.001 0.000 1.170 499 D HN 0.806 nan 8.370 nan 0.000 0.474 500 G N 0.769 109.526 108.800 -0.071 0.000 2.176 500 G HA2 -0.204 3.756 3.960 0.001 0.000 0.253 500 G HA3 -0.204 3.756 3.960 0.001 0.000 0.253 500 G C 0.048 174.870 174.900 -0.129 0.000 0.979 500 G CA 0.293 45.294 45.100 -0.164 0.000 0.641 500 G HN 0.533 nan 8.290 nan 0.000 0.530 501 V N 0.765 120.662 119.914 -0.028 0.000 2.709 501 V HA 0.826 4.946 4.120 0.001 0.000 0.308 501 V C -0.141 176.001 176.094 0.080 0.000 1.062 501 V CA -0.653 61.681 62.300 0.058 0.000 0.901 501 V CB 2.303 34.180 31.823 0.089 0.000 1.003 501 V HN 0.547 nan 8.190 nan 0.000 0.425 502 I N 1.768 122.414 120.570 0.127 0.000 2.644 502 I HA 0.488 4.659 4.170 0.001 0.000 0.291 502 I C -0.928 175.290 176.117 0.169 0.000 1.180 502 I CA -0.430 60.924 61.300 0.090 0.000 1.040 502 I CB 2.091 40.078 38.000 -0.021 0.000 1.255 502 I HN 0.593 nan 8.210 nan 0.000 0.422 503 D N 5.570 126.088 120.400 0.197 0.000 2.506 503 D HA -0.083 4.557 4.640 0.001 0.000 0.234 503 D C 0.503 176.878 176.300 0.126 0.000 1.143 503 D CA 0.467 54.597 54.000 0.217 0.000 0.871 503 D CB 0.635 41.582 40.800 0.245 0.000 1.190 503 D HN 0.533 nan 8.370 nan 0.000 0.459 504 Y N 3.534 123.876 120.300 0.070 0.000 2.151 504 Y HA -0.317 4.234 4.550 0.001 0.000 0.284 504 Y C 2.150 178.038 175.900 -0.021 0.000 1.166 504 Y CA 2.242 60.340 58.100 -0.003 0.000 1.163 504 Y CB 0.056 38.544 38.460 0.047 0.000 0.974 504 Y HN 0.461 nan 8.280 nan 0.000 0.511 505 K N -0.686 119.666 120.400 -0.079 0.000 2.209 505 K HA -0.067 4.253 4.320 0.001 0.000 0.204 505 K C 2.214 178.722 176.600 -0.153 0.000 1.048 505 K CA 1.454 57.654 56.287 -0.145 0.000 0.940 505 K CB -0.913 31.621 32.500 0.056 0.000 0.729 505 K HN 0.386 nan 8.250 nan 0.000 0.451 506 G N 2.015 110.780 108.800 -0.059 0.000 2.394 506 G HA2 -0.140 3.820 3.960 0.001 0.000 0.214 506 G HA3 -0.140 3.820 3.960 0.001 0.000 0.214 506 G C 1.547 176.414 174.900 -0.054 0.000 1.176 506 G CA 0.776 45.908 45.100 0.055 0.000 0.786 506 G HN 0.231 nan 8.290 nan 0.000 0.533 507 I N 0.616 121.017 120.570 -0.281 0.000 2.163 507 I HA -0.178 3.993 4.170 0.001 0.000 0.243 507 I C 2.662 178.510 176.117 -0.448 0.000 1.085 507 I CA 1.573 62.609 61.300 -0.439 0.000 1.347 507 I CB -0.157 37.413 38.000 -0.717 0.000 1.044 507 I HN 0.107 nan 8.210 nan 0.000 0.408 508 K N 1.232 121.276 120.400 -0.595 0.000 2.032 508 K HA -0.132 4.188 4.320 0.001 0.000 0.209 508 K C 2.130 178.532 176.600 -0.331 0.000 1.048 508 K CA 2.022 58.025 56.287 -0.472 0.000 0.927 508 K CB -0.365 31.791 32.500 -0.574 0.000 0.712 508 K HN 0.119 nan 8.250 nan 0.000 0.441 509 S N -0.832 114.654 115.700 -0.357 0.000 2.406 509 S HA 0.036 4.506 4.470 0.001 0.000 0.228 509 S C 1.149 175.312 174.600 -0.729 0.000 1.020 509 S CA 1.090 58.955 58.200 -0.558 0.000 0.965 509 S CB -0.176 62.592 63.200 -0.719 0.000 0.798 509 S HN 0.324 nan 8.310 nan 0.000 0.488 510 F N -1.097 118.739 119.950 -0.191 0.000 2.784 510 F HA 0.443 4.971 4.527 0.002 0.000 0.323 510 F C 1.403 177.064 175.800 -0.233 0.000 1.085 510 F CA -0.069 57.827 58.000 -0.173 0.000 1.196 510 F CB 0.221 39.120 39.000 -0.169 0.000 1.053 510 F HN 0.071 nan 8.300 nan 0.000 0.578 511 M N -1.265 118.223 119.600 -0.187 0.000 2.532 511 M HA 0.246 4.726 4.480 0.001 0.000 0.244 511 M C 1.571 177.817 176.300 -0.089 0.000 1.390 511 M CA 0.852 55.961 55.300 -0.319 0.000 1.132 511 M CB -0.050 32.125 32.600 -0.709 0.000 1.466 511 M HN -0.044 nan 8.290 nan 0.000 0.550 512 L N -0.442 120.713 121.223 -0.112 0.000 2.145 512 L HA 0.373 4.714 4.340 0.001 0.000 0.201 512 L C 1.073 177.914 176.870 -0.049 0.000 1.075 512 L CA 0.679 55.495 54.840 -0.039 0.000 0.773 512 L CB -0.475 41.541 42.059 -0.073 0.000 0.936 512 L HN 0.498 nan 8.230 nan 0.000 0.451 513 G N -1.107 107.633 108.800 -0.100 0.000 2.796 513 G HA2 -0.216 3.745 3.960 0.001 0.000 0.571 513 G HA3 -0.216 3.745 3.960 0.001 0.000 0.571 513 G C 0.607 175.453 174.900 -0.090 0.000 1.370 513 G CA -0.130 44.914 45.100 -0.094 0.000 0.856 513 G HN 0.327 nan 8.290 nan 0.000 0.538 514 A N -0.440 122.332 122.820 -0.079 0.000 1.908 514 A HA -0.057 4.263 4.320 0.001 0.000 0.218 514 A C 1.833 179.378 177.584 -0.065 0.000 1.181 514 A CA 2.289 54.284 52.037 -0.069 0.000 0.627 514 A CB -0.253 18.711 19.000 -0.059 0.000 0.818 514 A HN 0.791 nan 8.150 nan 0.000 0.445 515 N N 0.002 118.664 118.700 -0.063 0.000 2.273 515 N HA 0.029 4.770 4.740 0.001 0.000 0.231 515 N C -0.570 174.879 175.510 -0.101 0.000 1.134 515 N CA 0.042 53.049 53.050 -0.071 0.000 0.856 515 N CB 0.216 38.672 38.487 -0.052 0.000 1.068 515 N HN 0.370 nan 8.380 nan 0.000 0.510 516 N N 0.045 118.677 118.700 -0.114 0.000 2.693 516 N HA -0.144 4.597 4.740 0.001 0.000 0.249 516 N C 0.308 175.714 175.510 -0.174 0.000 1.119 516 N CA 1.154 54.092 53.050 -0.188 0.000 0.717 516 N CB -1.566 36.723 38.487 -0.330 0.000 1.071 516 N HN 0.297 nan 8.380 nan 0.000 0.555 517 T N -1.198 113.327 114.554 -0.047 0.000 3.044 517 T HA 0.378 4.729 4.350 0.001 0.000 0.250 517 T C 1.056 175.821 174.700 0.108 0.000 1.081 517 T CA 0.574 62.692 62.100 0.029 0.000 1.040 517 T CB 0.620 69.501 68.868 0.021 0.000 0.962 517 T HN 0.783 nan 8.240 nan 0.000 0.506 518 G N 1.981 110.847 108.800 0.109 0.000 3.055 518 G HA2 0.038 3.998 3.960 0.001 0.000 0.686 518 G HA3 0.038 3.998 3.960 0.001 0.000 0.686 518 G C -0.739 174.245 174.900 0.139 0.000 1.087 518 G CA -0.599 44.607 45.100 0.177 0.000 0.779 518 G HN 0.675 nan 8.290 nan 0.000 0.599 519 I N -1.367 119.297 120.570 0.156 0.000 3.145 519 I HA 0.805 4.975 4.170 0.001 0.000 0.313 519 I C 0.565 176.819 176.117 0.228 0.000 1.122 519 I CA -1.241 60.138 61.300 0.132 0.000 0.987 519 I CB 2.121 40.156 38.000 0.058 0.000 1.236 519 I HN 0.536 nan 8.210 nan 0.000 0.453 520 N N 2.224 121.030 118.700 0.178 0.000 2.735 520 N HA -0.201 4.539 4.740 0.001 0.000 0.248 520 N C 0.863 176.506 175.510 0.223 0.000 1.083 520 N CA 1.436 54.613 53.050 0.211 0.000 0.703 520 N CB -1.263 37.382 38.487 0.263 0.000 1.005 520 N HN 1.474 nan 8.380 nan 0.000 0.550 521 G N -2.098 106.771 108.800 0.115 0.000 2.176 521 G HA2 -0.327 3.633 3.960 0.001 0.000 0.253 521 G HA3 -0.327 3.633 3.960 0.001 0.000 0.253 521 G C -0.000 174.825 174.900 -0.125 0.000 0.979 521 G CA 0.278 45.352 45.100 -0.043 0.000 0.641 521 G HN 0.365 nan 8.290 nan 0.000 0.530 522 F N 1.972 121.951 119.950 0.049 0.000 2.379 522 F HA 0.570 5.097 4.527 0.000 0.000 0.332 522 F C 0.812 176.697 175.800 0.142 0.000 1.096 522 F CA -0.228 57.836 58.000 0.106 0.000 1.105 522 F CB 1.110 40.199 39.000 0.149 0.000 1.189 522 F HN 0.339 nan 8.300 nan 0.000 0.515 523 E N 2.193 122.627 120.200 0.389 0.000 2.227 523 E HA 0.311 4.661 4.350 0.001 0.000 0.268 523 E C -1.873 175.006 176.600 0.465 0.000 0.907 523 E CA -0.930 55.689 56.400 0.366 0.000 0.786 523 E CB 1.988 31.865 29.700 0.294 0.000 1.191 523 E HN 0.649 nan 8.360 nan 0.000 0.411 524 Y N 1.518 121.932 120.300 0.190 0.000 2.310 524 Y HA 0.562 5.113 4.550 0.000 0.000 0.326 524 Y C -0.181 175.548 175.900 -0.284 0.000 1.151 524 Y CA 0.102 58.229 58.100 0.045 0.000 1.195 524 Y CB 1.538 40.033 38.460 0.058 0.000 1.210 524 Y HN 0.727 nan 8.280 nan 0.000 0.483 525 G N 4.047 111.868 108.800 -1.632 0.000 2.660 525 G HA2 0.440 4.401 3.960 0.001 0.000 0.294 525 G HA3 0.440 4.401 3.960 0.001 0.000 0.294 525 G C -2.692 171.040 174.900 -1.947 0.000 1.369 525 G CA -0.725 43.118 45.100 -2.096 0.000 0.912 525 G HN 0.606 nan 8.290 nan 0.000 0.479 526 Y N 0.754 120.385 120.300 -1.116 0.000 2.433 526 Y HA 0.450 5.001 4.550 0.001 0.000 0.337 526 Y C -1.243 174.522 175.900 -0.226 0.000 1.026 526 Y CA -0.943 56.776 58.100 -0.635 0.000 1.037 526 Y CB 2.510 40.745 38.460 -0.375 0.000 1.245 526 Y HN 0.494 nan 8.280 nan 0.000 0.443 527 D N 4.588 124.718 120.400 -0.450 0.000 2.411 527 D HA 0.315 4.956 4.640 0.001 0.000 0.225 527 D C 0.603 176.789 176.300 -0.190 0.000 1.156 527 D CA 0.398 54.305 54.000 -0.155 0.000 0.874 527 D CB 1.544 42.308 40.800 -0.059 0.000 1.034 527 D HN 0.783 nan 8.370 nan 0.000 0.502 528 A N 3.923 126.814 122.820 0.118 0.000 2.015 528 A HA -0.192 4.128 4.320 0.001 0.000 0.219 528 A C 1.916 179.577 177.584 0.128 0.000 1.163 528 A CA 1.310 53.483 52.037 0.227 0.000 0.646 528 A CB -0.342 18.775 19.000 0.194 0.000 0.806 528 A HN 0.686 nan 8.150 nan 0.000 0.448 529 Q N -0.547 119.296 119.800 0.071 0.000 2.046 529 Q HA -0.081 4.259 4.340 0.001 0.000 0.200 529 Q C 2.107 178.167 176.000 0.100 0.000 0.975 529 Q CA 1.550 57.386 55.803 0.055 0.000 0.836 529 Q CB -0.291 28.469 28.738 0.036 0.000 0.896 529 Q HN 0.585 nan 8.270 nan 0.000 0.428 530 A N 0.073 122.914 122.820 0.035 0.000 2.016 530 A HA -0.043 4.277 4.320 0.001 0.000 0.217 530 A C 0.071 177.624 177.584 -0.051 0.000 1.162 530 A CA 0.676 52.719 52.037 0.010 0.000 0.662 530 A CB 0.145 19.055 19.000 -0.150 0.000 0.812 530 A HN 0.504 nan 8.150 nan 0.000 0.450 531 E N -1.584 118.553 120.200 -0.106 0.000 2.313 531 E HA -0.169 4.181 4.350 0.001 0.000 0.190 531 E C -0.261 176.092 176.600 -0.412 0.000 1.406 531 E CA 0.861 57.198 56.400 -0.104 0.000 0.668 531 E CB -2.129 27.615 29.700 0.074 0.000 1.135 531 E HN 1.136 nan 8.360 nan 0.000 0.375 532 A N 1.418 123.630 122.820 -1.013 0.000 2.465 532 A HA 0.688 5.008 4.320 0.001 0.000 0.292 532 A C -2.721 174.220 177.584 -1.071 0.000 1.041 532 A CA -1.164 50.348 52.037 -0.875 0.000 0.718 532 A CB 2.102 20.570 19.000 -0.888 0.000 1.266 532 A HN 0.005 nan 8.150 nan 0.000 0.403 533 P HA 0.657 nan 4.420 nan 0.000 0.281 533 P C -0.845 176.167 177.300 -0.481 0.000 1.264 533 P CA -0.290 62.443 63.100 -0.611 0.000 0.824 533 P CB 0.927 32.390 31.700 -0.395 0.000 1.092 534 W N 0.330 121.468 121.300 -0.269 0.000 3.118 534 W HA 0.551 5.211 4.660 0.001 0.000 0.328 534 W C -1.819 174.921 176.519 0.369 0.000 1.239 534 W CA -1.321 56.084 57.345 0.101 0.000 1.176 534 W CB 0.961 30.471 29.460 0.084 0.000 1.433 534 W HN 0.224 nan 8.180 nan 0.000 0.562 535 V N -0.643 119.848 119.914 0.962 0.000 2.555 535 V HA 0.779 4.900 4.120 0.001 0.000 0.302 535 V C -1.849 174.861 176.094 1.027 0.000 1.038 535 V CA -0.483 62.344 62.300 0.879 0.000 0.887 535 V CB 2.224 34.405 31.823 0.597 0.000 0.991 535 V HN 0.685 nan 8.190 nan 0.000 0.434 536 W N 4.590 126.338 121.300 0.747 0.000 2.830 536 W HA 0.561 5.221 4.660 0.000 0.000 0.335 536 W C -0.985 175.612 176.519 0.130 0.000 1.043 536 W CA -1.048 56.545 57.345 0.413 0.000 1.239 536 W CB 1.802 31.409 29.460 0.245 0.000 1.378 536 W HN 0.779 nan 8.180 nan 0.000 0.456 537 N N 5.334 123.786 118.700 -0.413 0.000 2.485 537 N HA 0.206 4.946 4.740 0.001 0.000 0.243 537 N C 1.002 176.000 175.510 -0.853 0.000 0.987 537 N CA -0.012 52.517 53.050 -0.868 0.000 0.940 537 N CB 0.879 38.500 38.487 -1.444 0.000 1.122 537 N HN 0.667 nan 8.380 nan 0.000 0.509 538 R N 0.955 120.863 120.500 -0.987 0.000 2.096 538 R HA -0.129 4.211 4.340 0.001 0.000 0.235 538 R C 1.988 178.008 176.300 -0.466 0.000 1.127 538 R CA 1.899 57.411 56.100 -0.980 0.000 0.968 538 R CB 0.016 29.808 30.300 -0.846 0.000 0.861 538 R HN 0.646 nan 8.270 nan 0.000 0.440 539 S N -0.050 115.434 115.700 -0.361 0.000 2.368 539 S HA -0.129 4.341 4.470 0.001 0.000 0.224 539 S C 2.101 176.603 174.600 -0.164 0.000 1.029 539 S CA 1.500 59.571 58.200 -0.217 0.000 0.988 539 S CB -0.487 62.606 63.200 -0.179 0.000 0.838 539 S HN 0.443 nan 8.310 nan 0.000 0.462 540 T N -2.788 111.651 114.554 -0.192 0.000 3.057 540 T HA 0.456 4.807 4.350 0.001 0.000 0.254 540 T C 1.682 176.355 174.700 -0.045 0.000 1.094 540 T CA 0.728 62.763 62.100 -0.107 0.000 1.088 540 T CB -0.419 68.384 68.868 -0.109 0.000 0.934 540 T HN 1.273 nan 8.240 nan 0.000 0.497 541 G N 1.415 110.181 108.800 -0.058 0.000 2.155 541 G HA2 -0.252 3.708 3.960 0.001 0.000 0.257 541 G HA3 -0.252 3.708 3.960 0.001 0.000 0.257 541 G C -0.252 174.782 174.900 0.222 0.000 0.983 541 G CA 0.121 45.297 45.100 0.126 0.000 0.676 541 G HN 0.668 nan 8.290 nan 0.000 0.528 542 E N -0.488 119.791 120.200 0.132 0.000 2.324 542 E HA 0.492 4.842 4.350 0.001 0.000 0.271 542 E C -0.155 176.741 176.600 0.493 0.000 1.028 542 E CA -0.261 56.303 56.400 0.273 0.000 0.890 542 E CB 1.135 30.994 29.700 0.265 0.000 1.004 542 E HN 0.301 nan 8.360 nan 0.000 0.431 543 L N 5.062 126.586 121.223 0.503 0.000 2.436 543 L HA 0.518 4.858 4.340 0.001 0.000 0.268 543 L C -1.630 175.531 176.870 0.485 0.000 0.974 543 L CA -0.336 54.810 54.840 0.510 0.000 0.826 543 L CB 1.413 43.621 42.059 0.248 0.000 1.291 543 L HN 0.465 nan 8.230 nan 0.000 0.406 544 I N 3.357 124.222 120.570 0.492 0.000 2.466 544 I HA 0.409 4.579 4.170 0.001 0.000 0.289 544 I C -0.380 176.073 176.117 0.560 0.000 1.026 544 I CA -0.537 61.002 61.300 0.398 0.000 1.078 544 I CB 2.239 40.400 38.000 0.268 0.000 1.249 544 I HN 0.598 nan 8.210 nan 0.000 0.429 545 T N 6.427 121.236 114.554 0.424 0.000 2.794 545 T HA 0.790 5.140 4.350 0.001 0.000 0.280 545 T C -0.758 174.177 174.700 0.392 0.000 0.987 545 T CA -0.233 62.103 62.100 0.394 0.000 0.993 545 T CB 0.516 69.562 68.868 0.296 0.000 0.939 545 T HN 0.457 nan 8.240 nan 0.000 0.449 546 F N 1.215 121.235 119.950 0.117 0.000 2.985 546 F HA 0.725 5.252 4.527 0.001 0.000 0.322 546 F C -1.422 174.401 175.800 0.038 0.000 1.187 546 F CA -1.410 56.614 58.000 0.041 0.000 0.910 546 F CB 0.457 39.532 39.000 0.125 0.000 1.411 546 F HN 0.260 nan 8.300 nan 0.000 0.492 547 D N 1.120 121.589 120.400 0.114 0.000 2.168 547 D HA 0.389 5.030 4.640 0.001 0.000 0.246 547 D C -1.097 175.296 176.300 0.155 0.000 1.050 547 D CA 0.186 54.183 54.000 -0.004 0.000 0.857 547 D CB 1.725 42.494 40.800 -0.052 0.000 1.169 547 D HN 0.694 nan 8.370 nan 0.000 0.453 548 D N -0.654 119.800 120.400 0.091 0.000 2.727 548 D HA 0.078 4.719 4.640 0.001 0.000 0.264 548 D C 1.045 177.413 176.300 0.113 0.000 1.101 548 D CA -0.459 53.674 54.000 0.222 0.000 1.122 548 D CB 0.255 41.319 40.800 0.440 0.000 1.390 548 D HN 0.356 nan 8.370 nan 0.000 0.606 549 H N -0.310 118.796 119.070 0.061 0.000 2.319 549 H HA -0.119 4.437 4.556 0.000 0.000 0.297 549 H C 2.164 177.497 175.328 0.009 0.000 1.097 549 H CA 2.821 58.879 56.048 0.017 0.000 1.285 549 H CB 0.268 30.043 29.762 0.021 0.000 1.368 549 H HN 0.360 nan 8.280 nan 0.000 0.495 550 R N -0.049 120.509 120.500 0.096 0.000 2.073 550 R HA -0.137 4.203 4.340 0.001 0.000 0.234 550 R C 2.600 178.913 176.300 0.022 0.000 1.134 550 R CA 1.777 57.861 56.100 -0.026 0.000 0.952 550 R CB -0.297 29.842 30.300 -0.270 0.000 0.850 550 R HN 0.532 nan 8.270 nan 0.000 0.433 551 S N -0.522 115.274 115.700 0.161 0.000 2.402 551 S HA -0.068 4.403 4.470 0.001 0.000 0.229 551 S C 2.002 176.602 174.600 -0.000 0.000 1.021 551 S CA 1.228 59.513 58.200 0.141 0.000 0.974 551 S CB -0.274 62.978 63.200 0.086 0.000 0.800 551 S HN 0.168 nan 8.310 nan 0.000 0.484 552 V N 1.955 121.836 119.914 -0.054 0.000 2.453 552 V HA -0.009 4.111 4.120 0.001 0.000 0.247 552 V C 2.536 178.558 176.094 -0.121 0.000 1.048 552 V CA 1.287 63.526 62.300 -0.101 0.000 1.049 552 V CB -0.857 30.888 31.823 -0.130 0.000 0.672 552 V HN 0.438 nan 8.190 nan 0.000 0.457 553 L N 0.272 121.389 121.223 -0.177 0.000 2.012 553 L HA -0.227 4.113 4.340 0.001 0.000 0.210 553 L C 2.759 179.604 176.870 -0.041 0.000 1.073 553 L CA 1.830 56.583 54.840 -0.145 0.000 0.748 553 L CB -0.744 41.210 42.059 -0.175 0.000 0.891 553 L HN 0.393 nan 8.230 nan 0.000 0.431 554 A N -0.204 122.612 122.820 -0.007 0.000 1.902 554 A HA -0.232 4.088 4.320 0.001 0.000 0.217 554 A C 2.301 179.913 177.584 0.046 0.000 1.181 554 A CA 1.728 53.794 52.037 0.047 0.000 0.623 554 A CB -0.345 18.702 19.000 0.078 0.000 0.818 554 A HN 0.334 nan 8.150 nan 0.000 0.443 555 K N -0.901 119.495 120.400 -0.007 0.000 2.057 555 K HA -0.086 4.234 4.320 0.001 0.000 0.206 555 K C 2.169 178.820 176.600 0.084 0.000 1.050 555 K CA 1.051 57.339 56.287 0.002 0.000 0.935 555 K CB -0.429 32.042 32.500 -0.048 0.000 0.715 555 K HN 0.471 nan 8.250 nan 0.000 0.439 556 G N 1.695 110.510 108.800 0.025 0.000 2.421 556 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 556 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 556 G C 1.315 176.244 174.900 0.047 0.000 1.171 556 G CA 0.726 45.835 45.100 0.015 0.000 0.775 556 G HN 0.199 nan 8.290 nan 0.000 0.543 557 N N -0.238 118.498 118.700 0.060 0.000 2.166 557 N HA -0.126 4.615 4.740 0.001 0.000 0.186 557 N C 1.813 177.389 175.510 0.111 0.000 1.019 557 N CA 1.127 54.221 53.050 0.073 0.000 0.856 557 N CB -0.528 38.004 38.487 0.073 0.000 0.993 557 N HN 0.507 nan 8.380 nan 0.000 0.426 558 Y N 1.580 121.893 120.300 0.021 0.000 2.145 558 Y HA -0.156 4.394 4.550 0.001 0.000 0.286 558 Y C 2.322 178.234 175.900 0.019 0.000 1.145 558 Y CA 1.911 60.029 58.100 0.030 0.000 1.148 558 Y CB -0.428 38.031 38.460 -0.000 0.000 0.981 558 Y HN 0.074 nan 8.280 nan 0.000 0.507 559 A N 0.294 123.189 122.820 0.124 0.000 1.933 559 A HA -0.225 4.095 4.320 0.001 0.000 0.218 559 A C 2.282 179.843 177.584 -0.039 0.000 1.175 559 A CA 1.976 54.029 52.037 0.027 0.000 0.628 559 A CB -0.767 18.284 19.000 0.086 0.000 0.814 559 A HN 0.552 nan 8.150 nan 0.000 0.444 560 K N 0.286 120.677 120.400 -0.015 0.000 2.057 560 K HA -0.144 4.176 4.320 0.001 0.000 0.206 560 K C 2.356 178.930 176.600 -0.043 0.000 1.050 560 K CA 1.720 57.995 56.287 -0.019 0.000 0.935 560 K CB -0.213 32.288 32.500 0.000 0.000 0.715 560 K HN 0.605 nan 8.250 nan 0.000 0.439 561 S N 0.708 116.372 115.700 -0.061 0.000 2.382 561 S HA -0.130 4.340 4.470 0.001 0.000 0.228 561 S C 1.839 176.369 174.600 -0.116 0.000 1.027 561 S CA 1.047 59.204 58.200 -0.073 0.000 0.991 561 S CB -0.404 62.760 63.200 -0.060 0.000 0.823 561 S HN 0.343 nan 8.310 nan 0.000 0.469 562 L N 0.932 122.036 121.223 -0.198 0.000 2.567 562 L HA 0.292 4.632 4.340 0.001 0.000 0.225 562 L C 1.664 178.469 176.870 -0.109 0.000 1.119 562 L CA 0.321 55.044 54.840 -0.195 0.000 0.871 562 L CB -0.757 41.094 42.059 -0.346 0.000 1.036 562 L HN 0.630 nan 8.230 nan 0.000 0.459 563 G N 1.291 110.044 108.800 -0.078 0.000 2.246 563 G HA2 -0.268 3.693 3.960 0.001 0.000 0.273 563 G HA3 -0.268 3.693 3.960 0.001 0.000 0.273 563 G C 0.234 175.120 174.900 -0.024 0.000 1.055 563 G CA -0.073 45.004 45.100 -0.038 0.000 0.851 563 G HN 0.231 nan 8.290 nan 0.000 0.500 564 L N -0.942 120.263 121.223 -0.030 0.000 2.476 564 L HA 0.408 4.749 4.340 0.001 0.000 0.264 564 L C 2.178 179.063 176.870 0.025 0.000 1.224 564 L CA 0.058 54.900 54.840 0.003 0.000 0.821 564 L CB 0.225 42.296 42.059 0.020 0.000 1.101 564 L HN 0.248 nan 8.230 nan 0.000 0.488 565 A N 0.930 123.776 122.820 0.044 0.000 2.015 565 A HA 0.293 4.614 4.320 0.001 0.000 0.219 565 A C 1.016 178.606 177.584 0.009 0.000 1.163 565 A CA 1.465 53.536 52.037 0.058 0.000 0.646 565 A CB -0.406 18.662 19.000 0.114 0.000 0.806 565 A HN 1.034 nan 8.150 nan 0.000 0.448 566 G N -2.487 106.322 108.800 0.015 0.000 2.373 566 G HA2 0.339 4.299 3.960 0.001 0.000 0.250 566 G HA3 0.339 4.299 3.960 0.001 0.000 0.250 566 G C -1.312 173.631 174.900 0.072 0.000 1.304 566 G CA -0.453 44.656 45.100 0.015 0.000 0.948 566 G HN 0.501 nan 8.290 nan 0.000 0.474 567 L N 0.354 121.623 121.223 0.078 0.000 2.354 567 L HA 0.887 5.227 4.340 0.001 0.000 0.264 567 L C -0.338 176.694 176.870 0.269 0.000 1.008 567 L CA -0.975 53.950 54.840 0.141 0.000 0.819 567 L CB 2.058 44.131 42.059 0.024 0.000 1.339 567 L HN 0.826 nan 8.230 nan 0.000 0.420 568 F N -0.151 119.885 119.950 0.143 0.000 2.675 568 F HA 0.920 5.447 4.527 0.001 0.000 0.324 568 F C -0.705 175.223 175.800 0.213 0.000 1.106 568 F CA -0.901 57.194 58.000 0.158 0.000 0.970 568 F CB 1.772 40.881 39.000 0.182 0.000 1.385 568 F HN 0.436 nan 8.300 nan 0.000 0.489 569 S N 0.501 116.249 115.700 0.080 0.000 2.550 569 S HA 0.547 5.017 4.470 0.001 0.000 0.270 569 S C -2.240 172.552 174.600 0.320 0.000 1.145 569 S CA -0.623 57.603 58.200 0.043 0.000 0.852 569 S CB 2.005 65.228 63.200 0.037 0.000 1.119 569 S HN 1.235 nan 8.310 nan 0.000 0.465 570 W N 3.233 124.538 121.300 0.010 0.000 2.781 570 W HA 0.533 5.193 4.660 0.000 0.000 0.333 570 W C -1.427 175.078 176.519 -0.023 0.000 1.047 570 W CA -0.531 56.806 57.345 -0.014 0.000 1.236 570 W CB 1.790 31.136 29.460 -0.189 0.000 1.394 570 W HN 1.069 nan 8.180 nan 0.000 0.466 571 E N 3.441 123.393 120.200 -0.412 0.000 2.288 571 E HA 0.331 4.681 4.350 0.001 0.000 0.268 571 E C 0.689 177.003 176.600 -0.478 0.000 0.885 571 E CA -0.759 55.167 56.400 -0.791 0.000 0.767 571 E CB 2.076 30.844 29.700 -1.554 0.000 1.220 571 E HN 0.288 nan 8.360 nan 0.000 0.427 572 I N 0.293 120.609 120.570 -0.423 0.000 2.454 572 I HA -0.244 3.926 4.170 0.001 0.000 0.254 572 I C 1.823 177.548 176.117 -0.653 0.000 1.156 572 I CA 1.332 62.428 61.300 -0.341 0.000 1.433 572 I CB -0.927 36.983 38.000 -0.150 0.000 1.082 572 I HN 0.647 nan 8.210 nan 0.000 0.432 573 D N 2.124 121.894 120.400 -1.050 0.000 2.263 573 D HA -0.184 4.456 4.640 0.001 0.000 0.208 573 D C 1.928 177.896 176.300 -0.553 0.000 0.971 573 D CA 1.435 54.611 54.000 -1.372 0.000 0.867 573 D CB -0.007 40.136 40.800 -1.095 0.000 0.929 573 D HN 0.524 nan 8.370 nan 0.000 0.492 574 A N 0.336 122.953 122.820 -0.339 0.000 2.178 574 A HA 0.016 4.336 4.320 0.001 0.000 0.211 574 A C 0.782 178.407 177.584 0.067 0.000 1.157 574 A CA 0.049 52.048 52.037 -0.062 0.000 0.780 574 A CB -0.018 18.987 19.000 0.008 0.000 0.828 574 A HN 0.104 nan 8.150 nan 0.000 0.476 575 D N 0.076 120.483 120.400 0.011 0.000 2.264 575 D HA 0.208 4.848 4.640 0.001 0.000 0.249 575 D C 0.640 177.036 176.300 0.160 0.000 1.070 575 D CA -0.158 53.918 54.000 0.128 0.000 0.912 575 D CB 0.688 41.515 40.800 0.046 0.000 1.193 575 D HN 0.266 nan 8.370 nan 0.000 0.427 576 N N 1.940 120.785 118.700 0.242 0.000 2.203 576 N HA 0.181 4.921 4.740 0.001 0.000 0.207 576 N C 1.121 176.729 175.510 0.163 0.000 1.130 576 N CA 0.454 53.615 53.050 0.185 0.000 0.861 576 N CB 0.909 39.495 38.487 0.164 0.000 1.005 576 N HN 0.563 nan 8.380 nan 0.000 0.507 577 G N 0.436 109.331 108.800 0.158 0.000 2.391 577 G HA2 -0.275 3.686 3.960 0.001 0.000 0.204 577 G HA3 -0.275 3.686 3.960 0.001 0.000 0.204 577 G C 0.610 175.592 174.900 0.136 0.000 1.012 577 G CA 0.259 45.442 45.100 0.137 0.000 0.651 577 G HN 0.286 nan 8.290 nan 0.000 0.494 578 D N 1.029 121.523 120.400 0.156 0.000 2.116 578 D HA -0.077 4.564 4.640 0.001 0.000 0.193 578 D C 2.587 178.899 176.300 0.020 0.000 0.998 578 D CA 1.377 55.456 54.000 0.133 0.000 0.836 578 D CB -0.092 40.841 40.800 0.222 0.000 0.951 578 D HN 0.414 nan 8.370 nan 0.000 0.449 579 I N 0.293 120.788 120.570 -0.125 0.000 2.233 579 I HA -0.147 4.023 4.170 0.001 0.000 0.243 579 I C 2.411 178.500 176.117 -0.047 0.000 1.093 579 I CA 0.521 61.720 61.300 -0.169 0.000 1.380 579 I CB -1.054 36.789 38.000 -0.260 0.000 1.067 579 I HN 0.048 nan 8.210 nan 0.000 0.413 580 L N 1.578 122.813 121.223 0.021 0.000 2.083 580 L HA -0.157 4.184 4.340 0.001 0.000 0.209 580 L C 2.114 179.063 176.870 0.132 0.000 1.083 580 L CA 1.711 56.604 54.840 0.088 0.000 0.752 580 L CB -0.991 41.149 42.059 0.134 0.000 0.899 580 L HN 0.179 nan 8.230 nan 0.000 0.433 581 N N 0.337 119.123 118.700 0.143 0.000 2.036 581 N HA -0.181 4.559 4.740 0.001 0.000 0.195 581 N C 1.847 177.379 175.510 0.038 0.000 1.037 581 N CA 1.872 55.034 53.050 0.186 0.000 0.855 581 N CB -0.630 38.030 38.487 0.288 0.000 1.033 581 N HN 0.501 nan 8.380 nan 0.000 0.423 582 A N 0.660 123.495 122.820 0.025 0.000 1.972 582 A HA -0.080 4.241 4.320 0.001 0.000 0.219 582 A C 2.283 179.768 177.584 -0.165 0.000 1.169 582 A CA 1.189 53.139 52.037 -0.145 0.000 0.635 582 A CB -0.476 18.369 19.000 -0.259 0.000 0.810 582 A HN 0.230 nan 8.150 nan 0.000 0.446 583 M N -1.391 118.136 119.600 -0.123 0.000 2.080 583 M HA -0.168 4.312 4.480 0.001 0.000 0.260 583 M C 2.186 178.341 176.300 -0.241 0.000 1.068 583 M CA 1.578 56.784 55.300 -0.156 0.000 1.109 583 M CB -0.581 31.939 32.600 -0.134 0.000 1.342 583 M HN 0.505 nan 8.290 nan 0.000 0.405 584 H N -0.232 118.644 119.070 -0.323 0.000 2.357 584 H HA -0.092 4.465 4.556 0.001 0.000 0.301 584 H C 1.914 177.014 175.328 -0.380 0.000 1.082 584 H CA 1.528 57.293 56.048 -0.471 0.000 1.342 584 H CB -0.175 28.951 29.762 -1.059 0.000 1.389 584 H HN 0.516 nan 8.280 nan 0.000 0.511 585 E N -0.024 120.038 120.200 -0.229 0.000 2.150 585 E HA -0.089 4.261 4.350 0.001 0.000 0.193 585 E C 2.405 178.974 176.600 -0.051 0.000 0.985 585 E CA 0.600 56.964 56.400 -0.060 0.000 0.814 585 E CB -0.058 29.674 29.700 0.054 0.000 0.752 585 E HN 0.433 nan 8.360 nan 0.000 0.466 586 G N 0.515 109.256 108.800 -0.099 0.000 2.448 586 G HA2 -0.164 3.797 3.960 0.001 0.000 0.218 586 G HA3 -0.164 3.797 3.960 0.001 0.000 0.218 586 G C 1.375 176.249 174.900 -0.043 0.000 1.135 586 G CA 0.248 45.305 45.100 -0.073 0.000 0.784 586 G HN 0.082 nan 8.290 nan 0.000 0.543 587 M N 0.984 120.546 119.600 -0.063 0.000 2.428 587 M HA 0.394 4.874 4.480 0.001 0.000 0.239 587 M C 1.374 177.667 176.300 -0.012 0.000 1.121 587 M CA -0.790 54.484 55.300 -0.043 0.000 1.019 587 M CB -0.259 32.292 32.600 -0.081 0.000 1.485 587 M HN 0.188 nan 8.290 nan 0.000 0.484 588 A N 0.000 122.822 122.820 0.003 0.000 2.254 588 A HA 0.000 4.320 4.320 0.001 0.000 0.244 588 A CA 0.000 52.059 52.037 0.037 0.000 0.836 588 A CB 0.000 19.037 19.000 0.062 0.000 0.831 588 A HN 0.000 nan 8.150 nan 0.000 0.486