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 3k1j_1_B DATA FIRST_RESID 20 DATA SEQUENCE SLELGIEFTT TEEIEVPEKL IDQVIGQEHA VEVIKTAANQ KRHVLLIGEP DATA SEQUENCE GTGKSMLGQA MAELLPTETL EDILVFPNPE DENMPRIKTV PAcQGRRIVE DATA SEQUENCE KYREKAKSQX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXTV LVPKLLVDNc GRTKAPFIDA TGAHAGALLG DVRHDPFXXX DATA SEQUENCE XXGTPAHERV EPGMIHRAHK GVLFIDEIAT LSLKMQQSLL TAMQEKKFPI DATA SEQUENCE TGQSEMSSGA MVRTEPVPCD FVLVAAGNLD TVDKMHPALR SRIRGYGYEV DATA SEQUENCE YMRTTMPDTI ENRRKLVQFV AQEVKRDGKI PHFTKEAVEE IVREAQKRAG DATA SEQUENCE RKGHLTLRLR DLGGIVRAAG DIAVKKGKKY VEREDVIEAV KMAKPLEKQL DATA SEQUENCE ADWYIERKKE YQVIKTEGSE IGRVNGLAVI GEQSGIVLPI EAVVAPAASK DATA SEQUENCE EEGKIIVTGK LGEIAKEAVQ NVSAIIKRYK GEDISRYDIH VQFLQTYEGV DATA SEQUENCE EGDAASISVA TAVISALEGI PIRQDVAMTG SLSVRGEVLP IGGATPAIEA DATA SEQUENCE AIEAGIKMVI IPKSNEKDVF LSKDKAEKIQ IFPVETIDEV LEIALEESEK DATA SEQUENCE KRELLRRIRE TLPLS 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.608 174.600 0.014 0.000 1.055 20 S CA 0.000 58.201 58.200 0.002 0.000 1.107 20 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 21 L N 0.567 121.799 121.223 0.015 0.000 2.424 21 L HA 0.670 5.010 4.340 -0.000 0.000 0.258 21 L C -1.172 175.713 176.870 0.025 0.000 0.995 21 L CA -0.704 54.152 54.840 0.026 0.000 0.821 21 L CB 2.142 44.224 42.059 0.038 0.000 1.383 21 L HN 0.884 nan 8.230 nan 0.000 0.410 22 E N 1.524 121.741 120.200 0.027 0.000 2.257 22 E HA 0.234 4.583 4.350 -0.000 0.000 0.278 22 E C -0.375 176.251 176.600 0.043 0.000 1.049 22 E CA 0.019 56.437 56.400 0.029 0.000 0.876 22 E CB 0.958 30.672 29.700 0.023 0.000 1.035 22 E HN 0.366 nan 8.360 nan 0.000 0.419 23 L N 3.616 124.877 121.223 0.064 0.000 2.766 23 L HA 0.347 4.687 4.340 -0.000 0.000 0.242 23 L C 1.359 178.278 176.870 0.082 0.000 1.136 23 L CA 0.656 55.551 54.840 0.090 0.000 0.933 23 L CB 0.022 42.180 42.059 0.166 0.000 1.241 23 L HN 0.861 nan 8.230 nan 0.000 0.522 24 G N 0.719 109.557 108.800 0.063 0.000 2.225 24 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.267 24 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.267 24 G C 0.191 175.129 174.900 0.063 0.000 1.024 24 G CA 0.694 45.823 45.100 0.048 0.000 0.784 24 G HN 0.201 nan 8.290 nan 0.000 0.507 25 I N -0.921 119.715 120.570 0.111 0.000 2.752 25 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 25 I C -1.549 174.725 176.117 0.263 0.000 1.507 25 I CA -0.926 60.462 61.300 0.148 0.000 1.038 25 I CB 1.898 39.961 38.000 0.106 0.000 1.390 25 I HN 0.004 nan 8.210 nan 0.000 0.435 26 E N 7.701 128.027 120.200 0.210 0.000 2.175 26 E HA 0.690 5.040 4.350 -0.000 0.000 0.278 26 E C -1.062 175.715 176.600 0.296 0.000 0.969 26 E CA -0.190 56.311 56.400 0.167 0.000 0.796 26 E CB 1.974 31.710 29.700 0.059 0.000 1.104 26 E HN 0.446 nan 8.360 nan 0.000 0.395 27 F N -2.136 117.797 119.950 -0.028 0.000 2.807 27 F HA 0.370 4.896 4.527 -0.002 0.000 0.316 27 F C 0.553 176.322 175.800 -0.052 0.000 1.162 27 F CA -0.790 57.185 58.000 -0.042 0.000 0.910 27 F CB 0.687 39.663 39.000 -0.042 0.000 1.314 27 F HN 0.199 nan 8.300 nan 0.000 0.454 28 T N -2.596 111.920 114.554 -0.062 0.000 3.038 28 T HA 0.359 4.709 4.350 -0.000 0.000 0.244 28 T C 0.547 175.166 174.700 -0.136 0.000 1.016 28 T CA 0.886 62.870 62.100 -0.193 0.000 1.098 28 T CB 0.106 68.894 68.868 -0.134 0.000 0.954 28 T HN 1.145 nan 8.240 nan 0.000 0.469 29 T N -0.049 114.553 114.554 0.079 0.000 2.883 29 T HA 0.448 4.797 4.350 -0.000 0.000 0.301 29 T C 1.093 175.946 174.700 0.254 0.000 1.158 29 T CA 0.090 62.246 62.100 0.093 0.000 1.007 29 T CB 1.575 70.261 68.868 -0.304 0.000 1.186 29 T HN 0.138 nan 8.240 nan 0.000 0.499 30 T N -1.315 113.384 114.554 0.243 0.000 2.996 30 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 30 T C 1.382 176.022 174.700 -0.100 0.000 1.126 30 T CA 1.576 63.709 62.100 0.055 0.000 1.103 30 T CB -0.612 68.369 68.868 0.188 0.000 0.870 30 T HN 0.846 nan 8.240 nan 0.000 0.528 31 E N 1.428 121.388 120.200 -0.401 0.000 2.209 31 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 31 E C 1.920 178.356 176.600 -0.274 0.000 0.993 31 E CA 1.180 57.135 56.400 -0.741 0.000 0.819 31 E CB -0.143 29.122 29.700 -0.725 0.000 0.745 31 E HN 0.735 nan 8.360 nan 0.000 0.477 32 E N -0.122 119.986 120.200 -0.153 0.000 2.371 32 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 32 E C 0.024 176.557 176.600 -0.112 0.000 1.012 32 E CA -0.136 56.214 56.400 -0.083 0.000 0.860 32 E CB 0.330 30.036 29.700 0.009 0.000 0.811 32 E HN 0.236 nan 8.360 nan 0.000 0.502 33 I N 2.595 123.055 120.570 -0.182 0.000 2.496 33 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 33 I C 0.370 176.410 176.117 -0.129 0.000 1.080 33 I CA 0.101 61.276 61.300 -0.209 0.000 1.404 33 I CB 0.478 38.282 38.000 -0.327 0.000 1.403 33 I HN -0.027 nan 8.210 nan 0.000 0.539 34 E N 4.951 125.088 120.200 -0.105 0.000 2.200 34 E HA 0.271 4.620 4.350 -0.000 0.000 0.283 34 E C -0.496 176.061 176.600 -0.071 0.000 1.015 34 E CA -0.591 55.765 56.400 -0.073 0.000 0.819 34 E CB 2.552 32.218 29.700 -0.056 0.000 1.081 34 E HN 0.394 nan 8.360 nan 0.000 0.397 35 V N 5.259 125.137 119.914 -0.061 0.000 2.385 35 V HA 0.207 4.327 4.120 -0.000 0.000 0.269 35 V C -2.190 173.875 176.094 -0.049 0.000 1.043 35 V CA -1.834 60.432 62.300 -0.058 0.000 0.906 35 V CB 0.394 32.183 31.823 -0.057 0.000 0.995 35 V HN 0.541 nan 8.190 nan 0.000 0.467 36 P HA -0.053 nan 4.420 nan 0.000 0.272 36 P C 0.548 177.823 177.300 -0.041 0.000 1.210 36 P CA 0.410 63.485 63.100 -0.042 0.000 0.789 36 P CB 0.596 32.271 31.700 -0.042 0.000 0.849 37 E N 1.214 121.392 120.200 -0.037 0.000 2.021 37 E HA -0.069 4.281 4.350 -0.000 0.000 0.189 37 E C 0.026 176.601 176.600 -0.042 0.000 0.980 37 E CA 1.447 57.826 56.400 -0.036 0.000 0.803 37 E CB -0.107 29.575 29.700 -0.029 0.000 0.766 37 E HN 0.185 nan 8.360 nan 0.000 0.449 38 K N 1.366 121.741 120.400 -0.041 0.000 2.322 38 K HA 0.084 4.404 4.320 -0.000 0.000 0.283 38 K C 1.188 177.753 176.600 -0.058 0.000 1.042 38 K CA 0.005 56.264 56.287 -0.047 0.000 0.958 38 K CB 0.820 33.295 32.500 -0.041 0.000 0.984 38 K HN 0.199 nan 8.250 nan 0.000 0.473 39 L N 2.291 123.470 121.223 -0.073 0.000 2.083 39 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 39 L C 2.062 178.883 176.870 -0.082 0.000 1.083 39 L CA 0.739 55.525 54.840 -0.091 0.000 0.752 39 L CB -0.210 41.771 42.059 -0.130 0.000 0.899 39 L HN 0.570 nan 8.230 nan 0.000 0.433 40 I N 0.154 120.681 120.570 -0.073 0.000 2.335 40 I HA -0.327 3.843 4.170 -0.000 0.000 0.251 40 I C 1.913 177.997 176.117 -0.054 0.000 1.129 40 I CA 1.693 62.955 61.300 -0.064 0.000 1.402 40 I CB -0.377 37.590 38.000 -0.055 0.000 1.069 40 I HN 0.254 nan 8.210 nan 0.000 0.424 41 D N -0.291 120.080 120.400 -0.050 0.000 2.224 41 D HA -0.147 4.493 4.640 -0.000 0.000 0.205 41 D C 2.101 178.377 176.300 -0.041 0.000 0.965 41 D CA 0.844 54.819 54.000 -0.042 0.000 0.852 41 D CB -0.080 40.696 40.800 -0.039 0.000 0.947 41 D HN 0.533 nan 8.370 nan 0.000 0.494 42 Q N 0.408 120.180 119.800 -0.046 0.000 2.079 42 Q HA -0.033 4.307 4.340 -0.000 0.000 0.200 42 Q C 0.577 176.560 176.000 -0.029 0.000 0.974 42 Q CA 0.276 56.057 55.803 -0.037 0.000 0.840 42 Q CB 0.230 28.942 28.738 -0.045 0.000 0.898 42 Q HN 0.056 nan 8.270 nan 0.000 0.430 43 V N 2.998 122.886 119.914 -0.043 0.000 2.644 43 V HA -0.154 3.966 4.120 -0.000 0.000 0.303 43 V C 0.309 176.376 176.094 -0.044 0.000 1.058 43 V CA 0.547 62.819 62.300 -0.046 0.000 1.228 43 V CB -0.218 31.571 31.823 -0.056 0.000 0.861 43 V HN 0.215 nan 8.190 nan 0.000 0.484 44 I N 4.626 125.164 120.570 -0.053 0.000 2.342 44 I HA 0.308 4.477 4.170 -0.000 0.000 0.291 44 I C 1.452 177.520 176.117 -0.081 0.000 1.010 44 I CA 0.378 61.635 61.300 -0.073 0.000 1.308 44 I CB 0.292 38.218 38.000 -0.123 0.000 1.400 44 I HN 0.911 nan 8.210 nan 0.000 0.488 45 G N 6.009 114.771 108.800 -0.064 0.000 2.380 45 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.298 45 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.298 45 G C 0.488 175.366 174.900 -0.036 0.000 0.989 45 G CA 0.185 45.254 45.100 -0.052 0.000 0.836 45 G HN 0.671 nan 8.290 nan 0.000 0.511 46 Q N -0.697 119.083 119.800 -0.034 0.000 2.715 46 Q HA 0.292 4.632 4.340 -0.000 0.000 0.399 46 Q C 1.324 177.324 176.000 0.000 0.000 1.017 46 Q CA -0.295 55.497 55.803 -0.018 0.000 1.077 46 Q CB 0.618 29.333 28.738 -0.039 0.000 1.350 46 Q HN 0.625 nan 8.270 nan 0.000 0.421 47 E N 0.014 120.223 120.200 0.015 0.000 2.147 47 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 47 E C 1.670 178.306 176.600 0.060 0.000 1.005 47 E CA 1.414 57.829 56.400 0.025 0.000 0.810 47 E CB -0.017 29.700 29.700 0.028 0.000 0.736 47 E HN 0.544 nan 8.360 nan 0.000 0.460 48 H N -0.733 118.329 119.070 -0.012 0.000 2.299 48 H HA -0.039 4.516 4.556 -0.001 0.000 0.302 48 H C 2.006 177.321 175.328 -0.022 0.000 1.078 48 H CA 1.247 57.291 56.048 -0.008 0.000 1.323 48 H CB 0.049 29.820 29.762 0.016 0.000 1.381 48 H HN 0.238 nan 8.280 nan 0.000 0.498 49 A N 0.710 123.448 122.820 -0.137 0.000 1.908 49 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 49 A C 2.738 180.228 177.584 -0.157 0.000 1.181 49 A CA 1.673 53.594 52.037 -0.194 0.000 0.627 49 A CB -0.950 17.997 19.000 -0.087 0.000 0.818 49 A HN 0.331 nan 8.150 nan 0.000 0.445 50 V N -0.104 119.752 119.914 -0.097 0.000 2.343 50 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 50 V C 2.612 178.645 176.094 -0.101 0.000 1.051 50 V CA 2.434 64.684 62.300 -0.083 0.000 1.036 50 V CB -0.668 31.123 31.823 -0.055 0.000 0.654 50 V HN 0.688 nan 8.190 nan 0.000 0.451 51 E N 0.108 120.246 120.200 -0.104 0.000 2.106 51 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 51 E C 2.039 178.523 176.600 -0.193 0.000 0.984 51 E CA 1.217 57.553 56.400 -0.106 0.000 0.806 51 E CB -0.302 29.369 29.700 -0.048 0.000 0.750 51 E HN 0.354 nan 8.360 nan 0.000 0.458 52 V N 0.829 120.568 119.914 -0.292 0.000 2.358 52 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 52 V C 2.257 178.140 176.094 -0.351 0.000 1.047 52 V CA 1.343 63.377 62.300 -0.443 0.000 1.035 52 V CB -0.401 31.133 31.823 -0.482 0.000 0.658 52 V HN 0.331 nan 8.190 nan 0.000 0.452 53 I N 0.077 120.523 120.570 -0.207 0.000 2.208 53 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 53 I C 2.421 178.474 176.117 -0.106 0.000 1.097 53 I CA 1.779 63.008 61.300 -0.119 0.000 1.363 53 I CB -1.100 36.857 38.000 -0.072 0.000 1.051 53 I HN 0.374 nan 8.210 nan 0.000 0.413 54 K N 0.050 120.384 120.400 -0.110 0.000 2.057 54 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 54 K C 2.042 178.589 176.600 -0.090 0.000 1.049 54 K CA 1.843 58.081 56.287 -0.082 0.000 0.931 54 K CB -0.231 32.227 32.500 -0.070 0.000 0.714 54 K HN 0.289 nan 8.250 nan 0.000 0.440 55 T N 0.745 115.211 114.554 -0.146 0.000 2.821 55 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 55 T C 1.935 176.567 174.700 -0.113 0.000 1.046 55 T CA 1.236 63.251 62.100 -0.142 0.000 1.139 55 T CB -0.116 68.618 68.868 -0.223 0.000 0.871 55 T HN 0.302 nan 8.240 nan 0.000 0.454 56 A N 1.409 124.125 122.820 -0.174 0.000 1.897 56 A HA 0.343 4.663 4.320 -0.000 0.000 0.215 56 A C 2.651 180.245 177.584 0.017 0.000 1.181 56 A CA 1.488 53.513 52.037 -0.021 0.000 0.620 56 A CB -1.109 17.887 19.000 -0.006 0.000 0.821 56 A HN 0.463 nan 8.150 nan 0.000 0.443 57 A N 0.620 123.436 122.820 -0.007 0.000 1.892 57 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 57 A C 1.955 179.543 177.584 0.007 0.000 1.188 57 A CA 2.330 54.373 52.037 0.010 0.000 0.631 57 A CB -0.911 18.090 19.000 0.001 0.000 0.822 57 A HN 0.597 nan 8.150 nan 0.000 0.447 58 N N -0.758 117.940 118.700 -0.003 0.000 2.192 58 N HA -0.153 4.586 4.740 -0.000 0.000 0.188 58 N C 1.475 176.991 175.510 0.009 0.000 1.013 58 N CA 1.661 54.711 53.050 0.000 0.000 0.863 58 N CB -0.064 38.420 38.487 -0.005 0.000 0.990 58 N HN 0.474 nan 8.380 nan 0.000 0.430 59 Q N -0.202 119.611 119.800 0.021 0.000 2.194 59 Q HA 0.153 4.493 4.340 -0.000 0.000 0.214 59 Q C -0.547 175.458 176.000 0.008 0.000 0.838 59 Q CA -0.074 55.744 55.803 0.026 0.000 0.972 59 Q CB 0.736 29.509 28.738 0.058 0.000 1.131 59 Q HN 0.294 nan 8.270 nan 0.000 0.498 60 K N 1.595 121.994 120.400 -0.001 0.000 3.150 60 K HA -0.150 4.170 4.320 -0.000 0.000 0.267 60 K C -0.514 176.021 176.600 -0.108 0.000 1.028 60 K CA 0.491 56.753 56.287 -0.042 0.000 0.753 60 K CB -0.576 31.889 32.500 -0.059 0.000 1.288 60 K HN 0.079 nan 8.250 nan 0.000 0.473 61 R N 1.027 121.511 120.500 -0.026 0.000 2.474 61 R HA 0.296 4.636 4.340 -0.000 0.000 0.295 61 R C 0.402 176.701 176.300 -0.002 0.000 0.980 61 R CA -0.726 55.354 56.100 -0.033 0.000 0.934 61 R CB 0.693 31.114 30.300 0.201 0.000 1.101 61 R HN 0.171 nan 8.270 nan 0.000 0.469 62 H N 0.574 119.734 119.070 0.151 0.000 2.771 62 H HA 0.223 4.779 4.556 -0.000 0.000 0.364 62 H C 0.005 175.440 175.328 0.178 0.000 1.133 62 H CA 0.037 56.176 56.048 0.152 0.000 1.423 62 H CB 0.905 30.742 29.762 0.125 0.000 1.425 62 H HN 0.093 nan 8.280 nan 0.000 0.606 63 V N 3.442 123.529 119.914 0.288 0.000 2.760 63 V HA 0.137 4.257 4.120 -0.000 0.000 0.309 63 V C -0.565 175.627 176.094 0.162 0.000 1.077 63 V CA -0.848 61.588 62.300 0.227 0.000 0.910 63 V CB 2.524 34.459 31.823 0.187 0.000 1.008 63 V HN 0.411 nan 8.190 nan 0.000 0.424 64 L N 5.884 127.191 121.223 0.140 0.000 2.319 64 L HA 0.656 4.996 4.340 -0.000 0.000 0.281 64 L C -1.022 175.904 176.870 0.094 0.000 1.005 64 L CA 0.053 54.949 54.840 0.093 0.000 0.828 64 L CB 1.154 43.263 42.059 0.083 0.000 1.227 64 L HN 0.568 nan 8.230 nan 0.000 0.415 65 L N 6.408 127.678 121.223 0.078 0.000 2.287 65 L HA 0.530 4.870 4.340 -0.000 0.000 0.287 65 L C -0.710 176.197 176.870 0.062 0.000 1.022 65 L CA -0.542 54.344 54.840 0.076 0.000 0.814 65 L CB 1.466 43.583 42.059 0.097 0.000 1.217 65 L HN 0.453 nan 8.230 nan 0.000 0.420 66 I N 2.922 123.534 120.570 0.070 0.000 2.389 66 I HA 0.774 4.944 4.170 -0.000 0.000 0.288 66 I C 0.461 176.586 176.117 0.012 0.000 0.999 66 I CA -0.207 61.144 61.300 0.084 0.000 1.129 66 I CB 1.154 39.256 38.000 0.171 0.000 1.288 66 I HN 0.725 nan 8.210 nan 0.000 0.444 67 G N 5.057 113.855 108.800 -0.003 0.000 2.451 67 G HA2 0.326 4.286 3.960 -0.000 0.000 0.292 67 G HA3 0.326 4.286 3.960 -0.000 0.000 0.292 67 G C -1.256 173.634 174.900 -0.016 0.000 1.427 67 G CA -0.752 44.297 45.100 -0.085 0.000 0.792 67 G HN 0.455 nan 8.290 nan 0.000 0.498 68 E N 1.103 121.287 120.200 -0.025 0.000 2.408 68 E HA 0.258 4.607 4.350 -0.000 0.000 0.259 68 E C -1.881 174.723 176.600 0.006 0.000 1.110 68 E CA -0.982 55.420 56.400 0.004 0.000 0.929 68 E CB 0.731 30.432 29.700 0.002 0.000 0.971 68 E HN 0.276 nan 8.360 nan 0.000 0.438 69 P HA -0.028 nan 4.420 nan 0.000 0.269 69 P C 0.165 177.477 177.300 0.020 0.000 1.209 69 P CA 0.277 63.395 63.100 0.029 0.000 0.776 69 P CB 0.454 32.173 31.700 0.031 0.000 0.876 70 G N 2.021 110.837 108.800 0.027 0.000 2.295 70 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.287 70 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.287 70 G C 0.450 175.347 174.900 -0.005 0.000 1.055 70 G CA 0.518 45.629 45.100 0.018 0.000 0.922 70 G HN 0.754 nan 8.290 nan 0.000 0.503 71 T N -3.457 111.089 114.554 -0.014 0.000 3.084 71 T HA 0.512 4.862 4.350 -0.000 0.000 0.270 71 T C 1.819 176.493 174.700 -0.045 0.000 1.008 71 T CA 1.090 63.162 62.100 -0.046 0.000 0.900 71 T CB 0.941 69.768 68.868 -0.068 0.000 1.084 71 T HN 2.099 nan 8.240 nan 0.000 0.538 72 G N 2.013 110.798 108.800 -0.024 0.000 2.134 72 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.209 72 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.209 72 G C 0.782 175.668 174.900 -0.023 0.000 0.993 72 G CA 0.238 45.317 45.100 -0.034 0.000 0.669 72 G HN 0.499 nan 8.290 nan 0.000 0.519 73 K N 0.547 120.967 120.400 0.033 0.000 2.002 73 K HA -0.061 4.259 4.320 -0.000 0.000 0.209 73 K C 2.726 179.365 176.600 0.064 0.000 1.048 73 K CA 1.694 58.057 56.287 0.127 0.000 0.930 73 K CB -0.363 32.276 32.500 0.232 0.000 0.714 73 K HN 0.375 nan 8.250 nan 0.000 0.438 74 S N 1.231 116.857 115.700 -0.124 0.000 2.383 74 S HA -0.193 4.277 4.470 -0.000 0.000 0.229 74 S C 2.043 176.338 174.600 -0.509 0.000 1.030 74 S CA 1.325 59.087 58.200 -0.730 0.000 1.002 74 S CB -0.153 62.746 63.200 -0.501 0.000 0.829 74 S HN 0.297 nan 8.310 nan 0.000 0.467 75 M N 0.391 119.822 119.600 -0.281 0.000 2.117 75 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 75 M C 1.873 178.040 176.300 -0.221 0.000 1.065 75 M CA 1.579 56.731 55.300 -0.247 0.000 1.114 75 M CB -0.223 32.291 32.600 -0.143 0.000 1.361 75 M HN 0.391 nan 8.290 nan 0.000 0.408 76 L N -0.499 120.643 121.223 -0.135 0.000 2.141 76 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 76 L C 2.576 179.412 176.870 -0.056 0.000 1.094 76 L CA 1.171 55.965 54.840 -0.076 0.000 0.763 76 L CB -1.085 40.963 42.059 -0.019 0.000 0.908 76 L HN 0.495 nan 8.230 nan 0.000 0.437 77 G N -0.917 107.852 108.800 -0.053 0.000 2.402 77 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 77 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 77 G C 1.500 176.367 174.900 -0.054 0.000 1.162 77 G CA 0.284 45.455 45.100 0.118 0.000 0.777 77 G HN 0.382 nan 8.290 nan 0.000 0.539 78 Q N 0.226 119.667 119.800 -0.599 0.000 2.079 78 Q HA 0.079 4.419 4.340 -0.000 0.000 0.200 78 Q C 2.992 178.792 176.000 -0.333 0.000 0.974 78 Q CA 1.085 56.361 55.803 -0.879 0.000 0.840 78 Q CB -0.249 27.891 28.738 -0.997 0.000 0.898 78 Q HN 0.456 nan 8.270 nan 0.000 0.430 79 A N 1.011 123.691 122.820 -0.234 0.000 1.940 79 A HA -0.203 4.116 4.320 -0.000 0.000 0.219 79 A C 2.019 179.562 177.584 -0.068 0.000 1.176 79 A CA 1.365 53.323 52.037 -0.131 0.000 0.631 79 A CB -0.516 18.419 19.000 -0.109 0.000 0.814 79 A HN 0.381 nan 8.150 nan 0.000 0.446 80 M N -0.693 118.889 119.600 -0.030 0.000 2.175 80 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 80 M C 2.289 178.616 176.300 0.046 0.000 1.063 80 M CA 1.308 56.621 55.300 0.021 0.000 1.119 80 M CB -0.221 32.421 32.600 0.070 0.000 1.377 80 M HN 0.462 nan 8.290 nan 0.000 0.415 81 A N 0.308 123.172 122.820 0.072 0.000 1.908 81 A HA -0.207 4.112 4.320 -0.000 0.000 0.218 81 A C 1.820 179.429 177.584 0.041 0.000 1.181 81 A CA 1.908 54.007 52.037 0.102 0.000 0.627 81 A CB -0.796 18.314 19.000 0.184 0.000 0.818 81 A HN 0.635 nan 8.150 nan 0.000 0.445 82 E N -0.362 119.836 120.200 -0.003 0.000 2.204 82 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 82 E C 1.317 177.912 176.600 -0.009 0.000 0.990 82 E CA 0.821 57.212 56.400 -0.015 0.000 0.821 82 E CB -0.233 29.442 29.700 -0.043 0.000 0.750 82 E HN 0.648 nan 8.360 nan 0.000 0.477 83 L N 0.941 122.160 121.223 -0.006 0.000 2.612 83 L HA 0.066 4.405 4.340 -0.000 0.000 0.230 83 L C 0.254 177.125 176.870 0.003 0.000 1.140 83 L CA -0.308 54.529 54.840 -0.006 0.000 0.896 83 L CB 0.079 42.130 42.059 -0.012 0.000 1.065 83 L HN 0.027 nan 8.230 nan 0.000 0.447 84 L N 0.005 121.235 121.223 0.012 0.000 2.343 84 L HA 0.442 4.782 4.340 -0.000 0.000 0.275 84 L C -1.944 174.930 176.870 0.008 0.000 1.056 84 L CA -1.764 53.085 54.840 0.014 0.000 0.804 84 L CB 0.453 42.529 42.059 0.029 0.000 1.203 84 L HN -0.224 nan 8.230 nan 0.000 0.440 85 P HA 0.125 nan 4.420 nan 0.000 0.266 85 P C 0.144 177.445 177.300 0.001 0.000 1.195 85 P CA 0.143 63.243 63.100 -0.000 0.000 0.768 85 P CB 0.535 32.232 31.700 -0.005 0.000 0.838 86 T N -2.296 112.261 114.554 0.004 0.000 2.964 86 T HA 0.064 4.414 4.350 -0.000 0.000 0.249 86 T C 1.153 175.858 174.700 0.008 0.000 1.000 86 T CA -0.050 62.055 62.100 0.007 0.000 0.992 86 T CB -0.435 68.438 68.868 0.009 0.000 1.087 86 T HN 0.260 nan 8.240 nan 0.000 0.489 87 E N 1.331 121.535 120.200 0.007 0.000 2.333 87 E HA -0.065 4.284 4.350 -0.000 0.000 0.198 87 E C 1.599 178.206 176.600 0.010 0.000 1.007 87 E CA 1.254 57.659 56.400 0.009 0.000 0.845 87 E CB -0.090 29.615 29.700 0.008 0.000 0.766 87 E HN 0.539 nan 8.360 nan 0.000 0.507 88 T N 0.150 114.708 114.554 0.006 0.000 3.176 88 T HA 0.184 4.534 4.350 -0.000 0.000 0.263 88 T C 0.471 175.174 174.700 0.005 0.000 1.021 88 T CA -0.289 61.815 62.100 0.006 0.000 0.905 88 T CB -0.129 68.739 68.868 -0.000 0.000 1.057 88 T HN -0.056 nan 8.240 nan 0.000 0.558 89 L N 1.863 123.091 121.223 0.009 0.000 2.483 89 L HA 0.339 4.679 4.340 -0.000 0.000 0.277 89 L C 0.446 177.343 176.870 0.045 0.000 1.248 89 L CA 0.301 55.149 54.840 0.014 0.000 0.825 89 L CB 0.305 42.379 42.059 0.024 0.000 1.096 89 L HN 0.380 nan 8.230 nan 0.000 0.512 90 E N 0.125 120.374 120.200 0.082 0.000 2.369 90 E HA 0.392 4.742 4.350 -0.000 0.000 0.270 90 E C -1.624 175.054 176.600 0.129 0.000 0.909 90 E CA -0.945 55.528 56.400 0.122 0.000 0.775 90 E CB 2.054 31.868 29.700 0.190 0.000 1.270 90 E HN 0.405 nan 8.360 nan 0.000 0.445 91 D N 0.976 121.436 120.400 0.101 0.000 2.228 91 D HA 0.475 5.115 4.640 -0.000 0.000 0.247 91 D C -0.505 175.840 176.300 0.076 0.000 0.995 91 D CA -0.318 53.730 54.000 0.081 0.000 0.903 91 D CB 1.496 42.330 40.800 0.057 0.000 1.205 91 D HN 0.269 nan 8.370 nan 0.000 0.459 92 I N 1.797 122.399 120.570 0.054 0.000 2.406 92 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 92 I C -0.553 175.568 176.117 0.005 0.000 0.999 92 I CA -0.632 60.685 61.300 0.029 0.000 1.124 92 I CB 1.371 39.376 38.000 0.009 0.000 1.289 92 I HN 0.023 nan 8.210 nan 0.000 0.441 93 L N 6.562 127.797 121.223 0.020 0.000 2.342 93 L HA 0.636 4.976 4.340 -0.000 0.000 0.271 93 L C -0.603 176.261 176.870 -0.011 0.000 1.008 93 L CA -0.959 53.855 54.840 -0.045 0.000 0.818 93 L CB 2.422 44.452 42.059 -0.047 0.000 1.296 93 L HN 0.301 nan 8.230 nan 0.000 0.427 94 V N 2.868 122.712 119.914 -0.116 0.000 2.448 94 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 94 V C -0.982 175.048 176.094 -0.106 0.000 1.025 94 V CA -0.235 62.057 62.300 -0.012 0.000 0.859 94 V CB 1.431 33.253 31.823 -0.003 0.000 0.988 94 V HN 0.487 nan 8.190 nan 0.000 0.431 95 F N 7.625 127.541 119.950 -0.057 0.000 2.507 95 F HA 0.678 5.204 4.527 -0.001 0.000 0.327 95 F C -1.927 173.718 175.800 -0.259 0.000 1.068 95 F CA -2.243 55.655 58.000 -0.170 0.000 0.965 95 F CB 2.259 41.159 39.000 -0.166 0.000 1.192 95 F HN 0.376 nan 8.300 nan 0.000 0.476 96 P HA 0.007 nan 4.420 nan 0.000 0.274 96 P C -1.405 175.846 177.300 -0.081 0.000 1.231 96 P CA -0.305 62.579 63.100 -0.360 0.000 0.790 96 P CB 0.768 32.145 31.700 -0.538 0.000 0.951 97 N N 2.674 121.353 118.700 -0.035 0.000 2.707 97 N HA 0.220 4.960 4.740 -0.000 0.000 0.235 97 N C -1.730 173.773 175.510 -0.010 0.000 1.028 97 N CA -2.125 50.917 53.050 -0.013 0.000 0.906 97 N CB 0.822 39.307 38.487 -0.002 0.000 1.131 97 N HN 0.099 nan 8.380 nan 0.000 0.509 98 P HA -0.201 nan 4.420 nan 0.000 0.217 98 P C 0.376 177.674 177.300 -0.003 0.000 1.151 98 P CA 1.430 64.527 63.100 -0.004 0.000 0.849 98 P CB 0.292 31.990 31.700 -0.003 0.000 0.787 99 E N -1.317 118.879 120.200 -0.007 0.000 2.072 99 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 99 E C 0.518 177.115 176.600 -0.004 0.000 0.982 99 E CA 0.864 57.260 56.400 -0.006 0.000 0.803 99 E CB -0.156 29.538 29.700 -0.011 0.000 0.755 99 E HN 0.170 nan 8.360 nan 0.000 0.453 100 D N -0.455 119.943 120.400 -0.003 0.000 2.336 100 D HA 0.039 4.679 4.640 -0.000 0.000 0.248 100 D C 0.186 176.489 176.300 0.006 0.000 1.326 100 D CA -0.213 53.787 54.000 0.000 0.000 0.973 100 D CB 1.159 41.957 40.800 -0.003 0.000 1.255 100 D HN -0.137 nan 8.370 nan 0.000 0.558 101 E N 2.488 122.696 120.200 0.013 0.000 2.114 101 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 101 E C 0.875 177.493 176.600 0.029 0.000 1.008 101 E CA 1.544 57.959 56.400 0.025 0.000 0.810 101 E CB 0.082 29.800 29.700 0.030 0.000 0.739 101 E HN 0.323 nan 8.360 nan 0.000 0.456 102 N N -0.319 118.393 118.700 0.019 0.000 2.571 102 N HA -0.067 4.673 4.740 -0.000 0.000 0.189 102 N C 0.092 175.609 175.510 0.011 0.000 1.154 102 N CA 0.603 53.663 53.050 0.017 0.000 0.907 102 N CB 0.128 38.622 38.487 0.011 0.000 0.977 102 N HN 0.320 nan 8.380 nan 0.000 0.449 103 M N 0.741 120.347 119.600 0.010 0.000 2.693 103 M HA 0.317 4.797 4.480 -0.000 0.000 0.224 103 M C -2.838 173.468 176.300 0.009 0.000 1.149 103 M CA -1.631 53.670 55.300 0.002 0.000 0.622 103 M CB 1.283 33.877 32.600 -0.009 0.000 1.443 103 M HN -0.325 nan 8.290 nan 0.000 0.431 104 P HA -0.018 nan 4.420 nan 0.000 0.266 104 P C -0.949 176.372 177.300 0.035 0.000 1.186 104 P CA 0.571 63.699 63.100 0.047 0.000 0.767 104 P CB 0.445 32.191 31.700 0.076 0.000 0.820 105 R N 2.451 122.984 120.500 0.055 0.000 2.500 105 R HA 0.530 4.870 4.340 -0.000 0.000 0.277 105 R C -0.170 176.188 176.300 0.097 0.000 1.026 105 R CA -0.710 55.418 56.100 0.046 0.000 1.058 105 R CB 0.771 31.079 30.300 0.013 0.000 1.078 105 R HN 0.403 nan 8.270 nan 0.000 0.509 106 I N 1.780 122.381 120.570 0.052 0.000 2.509 106 I HA 0.355 4.524 4.170 -0.000 0.000 0.293 106 I C -0.227 175.928 176.117 0.062 0.000 1.020 106 I CA -0.620 60.721 61.300 0.067 0.000 1.088 106 I CB 1.684 39.682 38.000 -0.002 0.000 1.267 106 I HN 0.542 nan 8.210 nan 0.000 0.430 107 K N 3.965 124.442 120.400 0.129 0.000 2.427 107 K HA 0.634 4.953 4.320 -0.000 0.000 0.252 107 K C -0.779 175.875 176.600 0.090 0.000 0.931 107 K CA -0.353 55.992 56.287 0.096 0.000 0.793 107 K CB 2.115 34.697 32.500 0.137 0.000 1.211 107 K HN 0.793 nan 8.250 nan 0.000 0.426 108 T N 0.081 114.667 114.554 0.053 0.000 2.829 108 T HA 0.673 5.022 4.350 -0.000 0.000 0.280 108 T C -0.265 174.476 174.700 0.069 0.000 0.999 108 T CA -0.664 61.471 62.100 0.057 0.000 0.983 108 T CB 1.266 70.156 68.868 0.037 0.000 0.968 108 T HN 0.382 nan 8.240 nan 0.000 0.446 109 V N -0.939 119.023 119.914 0.079 0.000 3.159 109 V HA 0.819 4.938 4.120 -0.000 0.000 0.308 109 V C -3.248 172.889 176.094 0.072 0.000 1.190 109 V CA -3.264 59.080 62.300 0.073 0.000 1.037 109 V CB 1.405 33.273 31.823 0.076 0.000 1.060 109 V HN 0.673 nan 8.190 nan 0.000 0.437 110 P HA 0.285 nan 4.420 nan 0.000 0.266 110 P C 0.061 177.393 177.300 0.053 0.000 1.195 110 P CA 0.710 63.842 63.100 0.054 0.000 0.768 110 P CB 0.328 32.054 31.700 0.043 0.000 0.838 111 A N 2.659 125.509 122.820 0.051 0.000 2.586 111 A HA 0.060 4.380 4.320 -0.000 0.000 0.231 111 A C 1.268 178.876 177.584 0.040 0.000 1.055 111 A CA 0.687 52.752 52.037 0.047 0.000 0.756 111 A CB -1.273 17.752 19.000 0.042 0.000 0.988 111 A HN 0.837 nan 8.150 nan 0.000 0.509 112 c N -1.204 117.419 118.600 0.038 0.000 5.870 112 c HA -0.221 4.349 4.570 -0.000 0.000 0.313 112 c C 2.123 176.235 174.090 0.037 0.000 2.306 112 c CA 1.421 57.770 56.329 0.033 0.000 2.063 112 c CB -1.958 40.570 42.510 0.030 0.000 3.096 112 c HN 1.161 nan 8.230 nan 0.000 0.350 113 Q N 1.161 120.987 119.800 0.043 0.000 2.291 113 Q HA 0.085 4.425 4.340 -0.000 0.000 0.205 113 Q C 1.953 177.986 176.000 0.055 0.000 0.970 113 Q CA 2.152 57.986 55.803 0.051 0.000 0.876 113 Q CB -0.335 28.436 28.738 0.055 0.000 0.935 113 Q HN 0.812 nan 8.270 nan 0.000 0.455 114 G N 0.471 109.299 108.800 0.047 0.000 2.404 114 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 114 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 114 G C 1.343 176.256 174.900 0.023 0.000 1.174 114 G CA 0.604 45.725 45.100 0.035 0.000 0.780 114 G HN 0.291 nan 8.290 nan 0.000 0.537 115 R N -0.073 120.441 120.500 0.024 0.000 2.103 115 R HA -0.062 4.278 4.340 -0.000 0.000 0.242 115 R C 2.835 179.154 176.300 0.032 0.000 1.142 115 R CA 1.540 57.652 56.100 0.020 0.000 0.960 115 R CB -0.223 30.090 30.300 0.021 0.000 0.858 115 R HN 0.227 nan 8.270 nan 0.000 0.439 116 R N 0.341 120.867 120.500 0.043 0.000 2.062 116 R HA -0.025 4.315 4.340 -0.000 0.000 0.231 116 R C 2.254 178.606 176.300 0.086 0.000 1.136 116 R CA 1.355 57.489 56.100 0.057 0.000 0.948 116 R CB -0.376 29.957 30.300 0.055 0.000 0.845 116 R HN 0.183 nan 8.270 nan 0.000 0.430 117 I N 0.265 120.896 120.570 0.100 0.000 2.315 117 I HA -0.307 3.862 4.170 -0.000 0.000 0.251 117 I C 1.929 178.144 176.117 0.163 0.000 1.125 117 I CA 1.174 62.573 61.300 0.165 0.000 1.392 117 I CB -0.240 37.855 38.000 0.159 0.000 1.065 117 I HN 0.043 nan 8.210 nan 0.000 0.424 118 V N 0.656 120.603 119.914 0.055 0.000 2.427 118 V HA -0.241 3.878 4.120 -0.000 0.000 0.248 118 V C 2.283 178.430 176.094 0.089 0.000 1.051 118 V CA 1.820 64.129 62.300 0.013 0.000 1.048 118 V CB -0.546 31.257 31.823 -0.033 0.000 0.666 118 V HN 0.456 nan 8.190 nan 0.000 0.456 119 E N -0.476 119.776 120.200 0.086 0.000 2.107 119 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 119 E C 2.271 178.934 176.600 0.105 0.000 0.982 119 E CA 0.585 57.033 56.400 0.079 0.000 0.809 119 E CB -0.109 29.622 29.700 0.053 0.000 0.756 119 E HN 0.424 nan 8.360 nan 0.000 0.459 120 K N 0.710 121.192 120.400 0.138 0.000 2.000 120 K HA -0.208 4.112 4.320 -0.000 0.000 0.218 120 K C 2.096 178.747 176.600 0.085 0.000 1.053 120 K CA 1.655 58.004 56.287 0.103 0.000 0.946 120 K CB -0.818 31.767 32.500 0.141 0.000 0.723 120 K HN 0.289 nan 8.250 nan 0.000 0.446 121 Y N 0.728 121.049 120.300 0.034 0.000 2.207 121 Y HA -0.183 4.367 4.550 -0.000 0.000 0.287 121 Y C 2.710 178.623 175.900 0.021 0.000 1.156 121 Y CA 1.415 59.535 58.100 0.034 0.000 1.182 121 Y CB -0.209 38.273 38.460 0.037 0.000 0.979 121 Y HN 0.156 nan 8.280 nan 0.000 0.521 122 R N 1.158 121.761 120.500 0.172 0.000 2.152 122 R HA -0.206 4.134 4.340 -0.000 0.000 0.232 122 R C 2.126 178.460 176.300 0.057 0.000 1.117 122 R CA 1.728 57.884 56.100 0.093 0.000 0.981 122 R CB -0.199 30.141 30.300 0.066 0.000 0.870 122 R HN 0.647 nan 8.270 nan 0.000 0.451 123 E N 0.292 120.520 120.200 0.045 0.000 2.072 123 E HA -0.241 4.109 4.350 -0.000 0.000 0.190 123 E C 1.848 178.453 176.600 0.009 0.000 0.982 123 E CA 1.064 57.476 56.400 0.020 0.000 0.803 123 E CB -0.292 29.414 29.700 0.009 0.000 0.755 123 E HN 0.213 nan 8.360 nan 0.000 0.453 124 K N 0.907 121.305 120.400 -0.002 0.000 2.152 124 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 124 K C 2.166 178.772 176.600 0.010 0.000 1.048 124 K CA 1.140 57.418 56.287 -0.016 0.000 0.933 124 K CB -0.261 32.205 32.500 -0.056 0.000 0.721 124 K HN 0.232 nan 8.250 nan 0.000 0.447 125 A N 1.246 124.085 122.820 0.032 0.000 1.892 125 A HA -0.254 4.065 4.320 -0.000 0.000 0.218 125 A C 2.331 179.928 177.584 0.021 0.000 1.188 125 A CA 2.807 54.865 52.037 0.036 0.000 0.631 125 A CB -1.037 17.990 19.000 0.044 0.000 0.822 125 A HN 0.494 nan 8.150 nan 0.000 0.447 126 K N -0.558 119.852 120.400 0.017 0.000 2.026 126 K HA -0.040 4.280 4.320 -0.000 0.000 0.208 126 K C 1.655 178.259 176.600 0.006 0.000 1.048 126 K CA 1.762 58.055 56.287 0.010 0.000 0.929 126 K CB -1.385 31.120 32.500 0.009 0.000 0.713 126 K HN 0.465 nan 8.250 nan 0.000 0.439 127 S N 1.285 116.986 115.700 0.002 0.000 3.305 127 S HA 0.132 4.602 4.470 -0.000 0.000 0.248 127 S C 0.109 174.709 174.600 -0.000 0.000 1.288 127 S CA 0.013 58.211 58.200 -0.002 0.000 1.249 127 S CB -0.704 62.490 63.200 -0.010 0.000 1.116 127 S HN 0.662 nan 8.310 nan 0.000 0.465 179 V N 2.459 122.409 119.914 0.059 0.000 2.408 179 V HA 0.775 4.895 4.120 -0.000 0.000 0.267 179 V C -0.262 175.901 176.094 0.114 0.000 1.047 179 V CA -0.871 61.481 62.300 0.087 0.000 0.937 179 V CB 0.265 32.132 31.823 0.073 0.000 0.999 179 V HN 0.409 nan 8.190 nan 0.000 0.472 180 L N 6.533 127.835 121.223 0.132 0.000 2.257 180 L HA 0.459 4.799 4.340 -0.000 0.000 0.290 180 L C -0.044 176.909 176.870 0.137 0.000 1.044 180 L CA -0.647 54.270 54.840 0.128 0.000 0.810 180 L CB 1.520 43.621 42.059 0.070 0.000 1.193 180 L HN 0.526 nan 8.230 nan 0.000 0.425 181 V N 5.298 125.289 119.914 0.128 0.000 2.555 181 V HA 0.186 4.305 4.120 -0.000 0.000 0.286 181 V C -1.653 174.396 176.094 -0.075 0.000 1.044 181 V CA -1.332 60.992 62.300 0.041 0.000 1.026 181 V CB 0.590 32.442 31.823 0.047 0.000 0.981 181 V HN 0.627 nan 8.190 nan 0.000 0.480 182 P HA 0.196 nan 4.420 nan 0.000 0.274 182 P C -0.868 176.219 177.300 -0.355 0.000 1.231 182 P CA -0.554 62.161 63.100 -0.643 0.000 0.790 182 P CB 1.077 31.721 31.700 -1.761 0.000 0.951 183 K N 1.859 122.115 120.400 -0.240 0.000 2.156 183 K HA 0.313 4.632 4.320 -0.000 0.000 0.271 183 K C -0.648 175.848 176.600 -0.172 0.000 0.995 183 K CA -0.901 55.282 56.287 -0.174 0.000 0.890 183 K CB 0.568 32.981 32.500 -0.145 0.000 1.073 183 K HN 0.270 nan 8.250 nan 0.000 0.454 184 L N 6.993 128.142 121.223 -0.124 0.000 2.312 184 L HA 0.164 4.503 4.340 -0.000 0.000 0.287 184 L C 0.378 177.216 176.870 -0.053 0.000 1.091 184 L CA 0.261 55.051 54.840 -0.084 0.000 0.846 184 L CB 0.145 42.170 42.059 -0.057 0.000 1.219 184 L HN 0.879 nan 8.230 nan 0.000 0.439 185 L N 4.024 125.219 121.223 -0.046 0.000 2.007 185 L HA 0.059 4.399 4.340 -0.000 0.000 0.205 185 L C 0.221 177.094 176.870 0.004 0.000 1.073 185 L CA 0.692 55.516 54.840 -0.027 0.000 0.744 185 L CB -0.134 41.902 42.059 -0.039 0.000 0.898 185 L HN 0.358 nan 8.230 nan 0.000 0.435 186 V N -0.026 119.899 119.914 0.019 0.000 2.444 186 V HA 0.255 4.374 4.120 -0.000 0.000 0.294 186 V C -1.235 174.886 176.094 0.044 0.000 1.022 186 V CA -0.728 61.600 62.300 0.047 0.000 0.850 186 V CB 1.705 33.579 31.823 0.085 0.000 0.992 186 V HN 0.094 nan 8.190 nan 0.000 0.426 187 D N 3.541 123.964 120.400 0.038 0.000 2.453 187 D HA 0.344 4.984 4.640 -0.000 0.000 0.238 187 D C 0.336 176.661 176.300 0.042 0.000 1.088 187 D CA -0.310 53.711 54.000 0.035 0.000 0.854 187 D CB 1.055 41.868 40.800 0.021 0.000 1.076 187 D HN 0.365 nan 8.370 nan 0.000 0.533 188 N N 2.421 121.151 118.700 0.049 0.000 2.235 188 N HA 0.046 4.786 4.740 -0.000 0.000 0.209 188 N C -0.193 175.340 175.510 0.038 0.000 1.122 188 N CA -0.223 52.855 53.050 0.047 0.000 0.845 188 N CB 0.029 38.550 38.487 0.056 0.000 1.004 188 N HN 0.382 nan 8.380 nan 0.000 0.499 189 c N 0.501 119.122 118.600 0.034 0.000 2.633 189 c HA 0.378 4.948 4.570 -0.000 0.000 0.415 189 c C 1.715 175.820 174.090 0.025 0.000 1.393 189 c CA 1.191 57.537 56.329 0.029 0.000 1.700 189 c CB -1.454 41.072 42.510 0.027 0.000 2.541 189 c HN 0.802 nan 8.230 nan 0.000 0.603 190 G N 5.427 114.240 108.800 0.023 0.000 2.175 190 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 190 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 190 G C 0.226 175.137 174.900 0.019 0.000 0.982 190 G CA -0.033 45.079 45.100 0.019 0.000 0.641 190 G HN 0.844 nan 8.290 nan 0.000 0.527 191 R N 0.259 120.773 120.500 0.023 0.000 2.438 191 R HA 0.479 4.819 4.340 -0.000 0.000 0.287 191 R C 1.059 177.371 176.300 0.020 0.000 1.077 191 R CA 0.575 56.690 56.100 0.024 0.000 1.034 191 R CB 0.600 30.918 30.300 0.031 0.000 0.993 191 R HN 0.153 nan 8.270 nan 0.000 0.459 192 T N 1.863 116.427 114.554 0.017 0.000 3.044 192 T HA 0.108 4.458 4.350 -0.000 0.000 0.250 192 T C 0.246 174.953 174.700 0.012 0.000 1.081 192 T CA 0.555 62.662 62.100 0.012 0.000 1.040 192 T CB 0.353 69.225 68.868 0.007 0.000 0.962 192 T HN 0.242 nan 8.240 nan 0.000 0.506 193 K N 1.202 121.612 120.400 0.018 0.000 2.435 193 K HA 0.746 5.066 4.320 -0.000 0.000 0.251 193 K C -0.618 176.003 176.600 0.034 0.000 0.954 193 K CA -0.737 55.562 56.287 0.021 0.000 0.820 193 K CB 2.189 34.699 32.500 0.017 0.000 1.292 193 K HN 0.100 nan 8.250 nan 0.000 0.436 194 A N 2.752 125.594 122.820 0.037 0.000 2.483 194 A HA 0.330 4.650 4.320 -0.000 0.000 0.238 194 A C -2.162 175.468 177.584 0.077 0.000 1.070 194 A CA -0.700 51.364 52.037 0.046 0.000 0.770 194 A CB -0.657 18.368 19.000 0.041 0.000 1.008 194 A HN 0.304 nan 8.150 nan 0.000 0.497 195 P HA 0.195 nan 4.420 nan 0.000 0.266 195 P C -0.893 176.498 177.300 0.152 0.000 1.195 195 P CA 0.425 63.585 63.100 0.100 0.000 0.768 195 P CB 0.176 31.920 31.700 0.073 0.000 0.838 196 F N 4.889 124.850 119.950 0.017 0.000 2.445 196 F HA 0.471 4.998 4.527 0.000 0.000 0.348 196 F C -1.247 174.562 175.800 0.015 0.000 1.125 196 F CA -0.920 57.088 58.000 0.014 0.000 0.983 196 F CB 0.659 39.650 39.000 -0.015 0.000 1.198 196 F HN 0.056 nan 8.300 nan 0.000 0.436 197 I N 5.481 125.676 120.570 -0.625 0.000 2.382 197 I HA 0.197 4.366 4.170 -0.000 0.000 0.285 197 I C -0.557 175.182 176.117 -0.629 0.000 1.007 197 I CA -0.602 60.414 61.300 -0.474 0.000 1.142 197 I CB 1.209 39.061 38.000 -0.247 0.000 1.289 197 I HN 0.488 nan 8.210 nan 0.000 0.453 198 D N 5.948 126.067 120.400 -0.469 0.000 2.365 198 D HA 0.369 5.008 4.640 -0.000 0.000 0.237 198 D C 0.577 176.822 176.300 -0.093 0.000 1.190 198 D CA -0.131 53.761 54.000 -0.181 0.000 0.867 198 D CB 1.460 42.294 40.800 0.057 0.000 1.050 198 D HN 0.635 nan 8.370 nan 0.000 0.491 199 A N 3.409 126.153 122.820 -0.126 0.000 2.415 199 A HA 0.152 4.472 4.320 -0.000 0.000 0.248 199 A C 0.886 178.405 177.584 -0.109 0.000 1.299 199 A CA -0.332 51.618 52.037 -0.145 0.000 0.899 199 A CB -0.200 18.659 19.000 -0.235 0.000 0.997 199 A HN 0.468 nan 8.150 nan 0.000 0.506 200 T N 0.639 115.164 114.554 -0.048 0.000 2.866 200 T HA 0.350 4.700 4.350 -0.000 0.000 0.293 200 T C 1.508 176.194 174.700 -0.023 0.000 1.005 200 T CA 1.348 63.424 62.100 -0.041 0.000 1.162 200 T CB 0.379 69.280 68.868 0.055 0.000 0.968 200 T HN 1.374 nan 8.240 nan 0.000 0.530 201 G N 2.307 111.084 108.800 -0.037 0.000 2.175 201 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.265 201 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.265 201 G C 0.373 175.274 174.900 0.001 0.000 0.979 201 G CA 0.118 45.210 45.100 -0.013 0.000 0.663 201 G HN 1.248 nan 8.290 nan 0.000 0.533 202 A N 1.102 123.906 122.820 -0.027 0.000 2.466 202 A HA 0.539 4.859 4.320 -0.000 0.000 0.238 202 A C 0.971 178.553 177.584 -0.003 0.000 1.074 202 A CA 0.450 52.476 52.037 -0.018 0.000 0.774 202 A CB 0.028 18.965 19.000 -0.104 0.000 1.015 202 A HN 1.193 nan 8.150 nan 0.000 0.498 203 H N 0.244 119.291 119.070 -0.038 0.000 2.509 203 H HA 0.563 5.119 4.556 -0.000 0.000 0.359 203 H C 1.196 176.503 175.328 -0.034 0.000 1.253 203 H CA -0.141 55.889 56.048 -0.031 0.000 1.373 203 H CB 0.556 30.308 29.762 -0.018 0.000 1.555 203 H HN 0.621 nan 8.280 nan 0.000 0.586 204 A N 1.646 124.424 122.820 -0.070 0.000 1.869 204 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 204 A C 2.529 179.987 177.584 -0.211 0.000 1.203 204 A CA 2.606 54.575 52.037 -0.112 0.000 0.638 204 A CB -1.720 17.279 19.000 -0.002 0.000 0.831 204 A HN 0.926 nan 8.150 nan 0.000 0.450 205 G N -1.129 107.538 108.800 -0.222 0.000 2.450 205 G HA2 0.001 3.961 3.960 -0.000 0.000 0.220 205 G HA3 0.001 3.961 3.960 -0.000 0.000 0.220 205 G C 1.665 176.373 174.900 -0.320 0.000 1.130 205 G CA 1.576 46.571 45.100 -0.174 0.000 0.760 205 G HN 0.915 nan 8.290 nan 0.000 0.557 206 A N 0.116 122.472 122.820 -0.773 0.000 1.898 206 A HA 0.232 4.552 4.320 -0.000 0.000 0.214 206 A C 2.302 179.730 177.584 -0.261 0.000 1.183 206 A CA 1.481 53.263 52.037 -0.426 0.000 0.622 206 A CB -0.323 18.425 19.000 -0.420 0.000 0.824 206 A HN 0.427 nan 8.150 nan 0.000 0.444 207 L N -0.559 120.487 121.223 -0.295 0.000 2.044 207 L HA 0.087 4.427 4.340 -0.000 0.000 0.205 207 L C 1.850 178.574 176.870 -0.244 0.000 1.075 207 L CA 1.730 56.418 54.840 -0.253 0.000 0.747 207 L CB -0.247 41.657 42.059 -0.259 0.000 0.903 207 L HN 0.340 nan 8.230 nan 0.000 0.435 208 L N -0.602 120.507 121.223 -0.189 0.000 2.585 208 L HA 0.468 4.808 4.340 -0.000 0.000 0.226 208 L C 0.810 177.762 176.870 0.137 0.000 1.113 208 L CA 0.117 54.888 54.840 -0.114 0.000 0.876 208 L CB -0.574 41.426 42.059 -0.099 0.000 1.072 208 L HN 0.410 nan 8.230 nan 0.000 0.468 209 G N 0.115 108.970 108.800 0.092 0.000 2.619 209 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.686 209 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.686 209 G C -1.658 173.301 174.900 0.099 0.000 1.256 209 G CA -0.715 44.479 45.100 0.156 0.000 0.826 209 G HN 0.039 nan 8.290 nan 0.000 0.619 210 D N -1.738 118.708 120.400 0.077 0.000 2.643 210 D HA 0.679 5.319 4.640 -0.000 0.000 0.283 210 D C -0.938 175.394 176.300 0.054 0.000 1.242 210 D CA -0.179 53.863 54.000 0.069 0.000 0.863 210 D CB 2.290 43.133 40.800 0.072 0.000 1.382 210 D HN 0.811 nan 8.370 nan 0.000 0.444 211 V N 2.167 122.114 119.914 0.055 0.000 2.482 211 V HA 0.422 4.542 4.120 -0.000 0.000 0.295 211 V C 0.229 176.357 176.094 0.057 0.000 1.026 211 V CA -0.796 61.530 62.300 0.043 0.000 0.856 211 V CB 1.681 33.528 31.823 0.040 0.000 1.001 211 V HN 0.402 nan 8.190 nan 0.000 0.424 212 R N 2.792 123.319 120.500 0.045 0.000 2.698 212 R HA 0.137 4.477 4.340 -0.000 0.000 0.266 212 R C 0.380 176.734 176.300 0.091 0.000 1.026 212 R CA -0.289 55.848 56.100 0.062 0.000 1.102 212 R CB 0.471 30.789 30.300 0.030 0.000 0.978 212 R HN 0.797 nan 8.270 nan 0.000 0.436 213 H N 1.227 120.309 119.070 0.020 0.000 2.707 213 H HA -0.001 4.555 4.556 -0.000 0.000 0.359 213 H C -0.912 174.432 175.328 0.028 0.000 1.113 213 H CA 0.030 56.092 56.048 0.024 0.000 1.422 213 H CB 1.162 30.939 29.762 0.024 0.000 1.443 213 H HN 0.467 nan 8.280 nan 0.000 0.591 214 D N 4.664 124.704 120.400 -0.599 0.000 2.542 214 D HA 0.238 4.877 4.640 -0.000 0.000 0.252 214 D C -1.955 174.015 176.300 -0.550 0.000 1.222 214 D CA -2.207 51.545 54.000 -0.414 0.000 0.895 214 D CB 1.959 42.674 40.800 -0.143 0.000 1.207 214 D HN 0.301 nan 8.370 nan 0.000 0.558 215 P HA 0.015 nan 4.420 nan 0.000 0.220 215 P C -0.072 177.296 177.300 0.114 0.000 1.148 215 P CA 0.683 63.732 63.100 -0.085 0.000 0.803 215 P CB 0.164 31.896 31.700 0.053 0.000 0.782 223 T N 2.735 117.306 114.554 0.029 0.000 2.829 223 T HA 0.591 4.941 4.350 -0.000 0.000 0.282 223 T C -2.367 172.334 174.700 0.003 0.000 0.990 223 T CA -0.780 61.316 62.100 -0.005 0.000 1.028 223 T CB 1.688 70.532 68.868 -0.041 0.000 0.951 223 T HN 0.297 nan 8.240 nan 0.000 0.460 224 P HA 0.114 nan 4.420 nan 0.000 0.262 224 P C 0.495 177.807 177.300 0.020 0.000 1.182 224 P CA -0.051 63.090 63.100 0.069 0.000 0.761 224 P CB 0.363 32.155 31.700 0.153 0.000 0.795 225 A N 4.138 127.006 122.820 0.080 0.000 1.927 225 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 225 A C 1.937 179.546 177.584 0.040 0.000 1.185 225 A CA 2.393 54.461 52.037 0.052 0.000 0.639 225 A CB -1.871 17.169 19.000 0.067 0.000 0.820 225 A HN 0.837 nan 8.150 nan 0.000 0.451 226 H N -1.728 117.334 119.070 -0.015 0.000 2.387 226 H HA -0.000 4.556 4.556 -0.000 0.000 0.299 226 H C 1.716 177.016 175.328 -0.047 0.000 1.099 226 H CA 1.393 57.422 56.048 -0.031 0.000 1.315 226 H CB -0.343 29.398 29.762 -0.036 0.000 1.380 226 H HN 0.569 nan 8.280 nan 0.000 0.513 227 E N 0.383 120.144 120.200 -0.731 0.000 2.347 227 E HA -0.031 4.318 4.350 -0.000 0.000 0.196 227 E C 1.650 178.116 176.600 -0.222 0.000 1.008 227 E CA 0.219 56.311 56.400 -0.513 0.000 0.852 227 E CB 0.152 29.553 29.700 -0.498 0.000 0.783 227 E HN 0.552 nan 8.360 nan 0.000 0.505 228 R N 0.133 120.545 120.500 -0.146 0.000 2.334 228 R HA 0.115 4.455 4.340 -0.000 0.000 0.216 228 R C -0.018 176.259 176.300 -0.038 0.000 0.905 228 R CA -0.146 55.912 56.100 -0.070 0.000 1.064 228 R CB 0.752 31.028 30.300 -0.040 0.000 1.046 228 R HN -0.072 nan 8.270 nan 0.000 0.508 229 V N 2.408 122.294 119.914 -0.047 0.000 2.555 229 V HA 0.054 4.174 4.120 -0.000 0.000 0.286 229 V C 0.293 176.372 176.094 -0.025 0.000 1.044 229 V CA 0.220 62.505 62.300 -0.025 0.000 1.026 229 V CB 1.282 33.090 31.823 -0.026 0.000 0.981 229 V HN 0.089 nan 8.190 nan 0.000 0.480 230 E N 5.989 126.187 120.200 -0.002 0.000 2.210 230 E HA 0.418 4.767 4.350 -0.000 0.000 0.266 230 E C -2.594 174.023 176.600 0.029 0.000 0.883 230 E CA -2.048 54.358 56.400 0.010 0.000 0.761 230 E CB 2.417 32.132 29.700 0.025 0.000 1.156 230 E HN 0.405 nan 8.360 nan 0.000 0.412 231 P HA 0.125 nan 4.420 nan 0.000 0.272 231 P C 0.067 177.473 177.300 0.177 0.000 1.223 231 P CA -0.154 63.006 63.100 0.101 0.000 0.784 231 P CB 1.019 32.768 31.700 0.082 0.000 0.923 232 G N 1.086 110.122 108.800 0.393 0.000 2.511 232 G HA2 0.379 4.338 3.960 -0.000 0.000 0.316 232 G HA3 0.379 4.338 3.960 -0.000 0.000 0.316 232 G C 0.969 175.870 174.900 0.002 0.000 1.210 232 G CA -0.825 44.349 45.100 0.124 0.000 0.969 232 G HN 0.351 nan 8.290 nan 0.000 0.492 233 M N 0.277 119.809 119.600 -0.114 0.000 2.213 233 M HA -0.020 4.460 4.480 -0.000 0.000 0.263 233 M C 2.423 178.605 176.300 -0.196 0.000 1.062 233 M CA 1.258 56.473 55.300 -0.143 0.000 1.105 233 M CB -0.401 32.085 32.600 -0.190 0.000 1.385 233 M HN 0.707 nan 8.290 nan 0.000 0.417 234 I N -2.433 117.950 120.570 -0.313 0.000 2.286 234 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 234 I C 2.111 178.177 176.117 -0.085 0.000 1.115 234 I CA 1.451 62.571 61.300 -0.300 0.000 1.392 234 I CB -0.984 36.811 38.000 -0.342 0.000 1.065 234 I HN 0.279 nan 8.210 nan 0.000 0.418 235 H N 1.854 120.983 119.070 0.099 0.000 2.372 235 H HA 0.083 4.639 4.556 -0.000 0.000 0.301 235 H C 2.307 177.709 175.328 0.123 0.000 1.065 235 H CA 1.208 57.327 56.048 0.118 0.000 1.364 235 H CB -0.336 29.469 29.762 0.072 0.000 1.406 235 H HN 0.419 nan 8.280 nan 0.000 0.521 236 R N 0.678 121.276 120.500 0.163 0.000 2.152 236 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 236 R C 1.910 178.274 176.300 0.106 0.000 1.117 236 R CA 0.837 57.003 56.100 0.111 0.000 0.981 236 R CB 0.004 30.332 30.300 0.047 0.000 0.870 236 R HN 0.163 nan 8.270 nan 0.000 0.451 237 A N 0.657 123.536 122.820 0.098 0.000 2.278 237 A HA -0.039 4.281 4.320 -0.000 0.000 0.212 237 A C 0.092 177.817 177.584 0.236 0.000 1.213 237 A CA -0.259 51.845 52.037 0.112 0.000 0.840 237 A CB -0.511 18.494 19.000 0.008 0.000 0.866 237 A HN 0.255 nan 8.150 nan 0.000 0.489 238 H N 1.286 120.453 119.070 0.161 0.000 3.107 238 H HA 0.152 4.708 4.556 0.000 0.000 0.301 238 H C 0.605 176.001 175.328 0.113 0.000 0.981 238 H CA 1.085 57.224 56.048 0.151 0.000 1.443 238 H CB -0.098 29.747 29.762 0.139 0.000 1.479 238 H HN 0.376 nan 8.280 nan 0.000 0.564 239 K N 1.958 122.171 120.400 -0.312 0.000 3.281 239 K HA -0.171 4.149 4.320 -0.000 0.000 0.295 239 K C 0.389 176.958 176.600 -0.052 0.000 1.233 239 K CA 0.823 56.956 56.287 -0.256 0.000 0.866 239 K CB -1.456 30.816 32.500 -0.380 0.000 1.265 239 K HN 0.889 nan 8.250 nan 0.000 0.482 240 G N -0.556 108.271 108.800 0.045 0.000 3.195 240 G HA2 0.649 4.608 3.960 -0.000 0.000 0.217 240 G HA3 0.649 4.608 3.960 -0.000 0.000 0.217 240 G C -1.045 173.941 174.900 0.143 0.000 1.166 240 G CA -0.411 44.741 45.100 0.088 0.000 0.812 240 G HN 0.008 nan 8.290 nan 0.000 0.617 241 V N 0.484 120.483 119.914 0.141 0.000 2.495 241 V HA 0.550 4.670 4.120 -0.000 0.000 0.298 241 V C -1.015 175.072 176.094 -0.011 0.000 1.031 241 V CA -0.571 61.821 62.300 0.154 0.000 0.871 241 V CB 1.528 33.512 31.823 0.269 0.000 0.988 241 V HN 0.585 nan 8.190 nan 0.000 0.432 242 L N 5.858 127.049 121.223 -0.053 0.000 2.280 242 L HA 0.611 4.950 4.340 -0.000 0.000 0.287 242 L C -0.995 175.769 176.870 -0.177 0.000 1.023 242 L CA -0.050 54.614 54.840 -0.294 0.000 0.819 242 L CB 0.963 42.596 42.059 -0.709 0.000 1.212 242 L HN 0.571 nan 8.230 nan 0.000 0.420 243 F N 6.587 126.308 119.950 -0.383 0.000 2.427 243 F HA 0.699 5.226 4.527 -0.000 0.000 0.346 243 F C -0.741 174.948 175.800 -0.185 0.000 1.120 243 F CA -0.616 57.260 58.000 -0.207 0.000 1.033 243 F CB 0.909 39.834 39.000 -0.125 0.000 1.126 243 F HN 0.332 nan 8.300 nan 0.000 0.462 244 I N 6.015 126.086 120.570 -0.831 0.000 2.493 244 I HA 0.181 4.350 4.170 -0.000 0.000 0.279 244 I C -0.914 174.756 176.117 -0.745 0.000 1.045 244 I CA -0.729 60.189 61.300 -0.637 0.000 1.106 244 I CB 1.170 38.942 38.000 -0.380 0.000 1.216 244 I HN 0.503 nan 8.210 nan 0.000 0.459 245 D N 5.288 125.282 120.400 -0.677 0.000 2.354 245 D HA 0.141 4.781 4.640 -0.000 0.000 0.247 245 D C 0.504 176.696 176.300 -0.181 0.000 1.138 245 D CA 0.403 54.184 54.000 -0.365 0.000 0.958 245 D CB 0.905 41.668 40.800 -0.062 0.000 1.144 245 D HN 0.577 nan 8.370 nan 0.000 0.458 246 E N 0.537 120.674 120.200 -0.105 0.000 2.403 246 E HA -0.277 4.073 4.350 -0.000 0.000 0.241 246 E C 1.215 177.766 176.600 -0.083 0.000 1.201 246 E CA 0.080 56.441 56.400 -0.065 0.000 0.721 246 E CB -1.611 28.068 29.700 -0.036 0.000 1.245 246 E HN 0.519 nan 8.360 nan 0.000 0.392 247 I N 0.171 120.671 120.570 -0.116 0.000 2.315 247 I HA -0.293 3.876 4.170 -0.000 0.000 0.251 247 I C 2.195 178.271 176.117 -0.070 0.000 1.125 247 I CA 1.863 63.093 61.300 -0.116 0.000 1.392 247 I CB -0.048 37.870 38.000 -0.136 0.000 1.065 247 I HN 0.376 nan 8.210 nan 0.000 0.424 248 A N -0.385 122.408 122.820 -0.044 0.000 2.239 248 A HA -0.115 4.205 4.320 -0.000 0.000 0.209 248 A C 1.961 179.535 177.584 -0.017 0.000 1.171 248 A CA 1.451 53.476 52.037 -0.020 0.000 0.768 248 A CB -0.933 18.062 19.000 -0.009 0.000 0.790 248 A HN 0.598 nan 8.150 nan 0.000 0.478 249 T N -3.241 111.297 114.554 -0.026 0.000 3.086 249 T HA 0.404 4.754 4.350 -0.000 0.000 0.250 249 T C 0.269 174.956 174.700 -0.021 0.000 1.074 249 T CA -0.328 61.761 62.100 -0.018 0.000 0.988 249 T CB -0.342 68.516 68.868 -0.017 0.000 0.988 249 T HN 0.013 nan 8.240 nan 0.000 0.530 250 L N 3.621 124.824 121.223 -0.033 0.000 2.417 250 L HA 0.412 4.752 4.340 -0.000 0.000 0.268 250 L C 0.893 177.753 176.870 -0.017 0.000 1.158 250 L CA -0.110 54.708 54.840 -0.037 0.000 0.819 250 L CB 1.037 43.056 42.059 -0.067 0.000 1.112 250 L HN 0.432 nan 8.230 nan 0.000 0.458 251 S N 2.563 118.256 115.700 -0.011 0.000 2.563 251 S HA 0.053 4.523 4.470 -0.000 0.000 0.284 251 S C 1.354 175.966 174.600 0.020 0.000 1.331 251 S CA -0.399 57.804 58.200 0.006 0.000 1.047 251 S CB 0.144 63.349 63.200 0.008 0.000 0.859 251 S HN 0.541 nan 8.310 nan 0.000 0.514 252 L N 1.375 122.627 121.223 0.048 0.000 2.187 252 L HA -0.135 4.204 4.340 -0.000 0.000 0.213 252 L C 2.733 179.682 176.870 0.131 0.000 1.100 252 L CA 1.698 56.609 54.840 0.118 0.000 0.765 252 L CB -0.532 41.592 42.059 0.108 0.000 0.904 252 L HN 0.855 nan 8.230 nan 0.000 0.437 253 K N 0.346 120.786 120.400 0.067 0.000 2.062 253 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 253 K C 2.184 178.780 176.600 -0.007 0.000 1.051 253 K CA 1.156 57.470 56.287 0.046 0.000 0.941 253 K CB 0.004 32.528 32.500 0.040 0.000 0.719 253 K HN 0.187 nan 8.250 nan 0.000 0.440 254 M N 0.579 120.162 119.600 -0.029 0.000 2.229 254 M HA -0.162 4.317 4.480 -0.000 0.000 0.264 254 M C 2.093 178.315 176.300 -0.130 0.000 1.063 254 M CA 1.511 56.761 55.300 -0.083 0.000 1.114 254 M CB -0.028 32.522 32.600 -0.084 0.000 1.387 254 M HN 0.209 nan 8.290 nan 0.000 0.420 255 Q N -0.236 119.501 119.800 -0.106 0.000 2.119 255 Q HA -0.243 4.097 4.340 -0.000 0.000 0.201 255 Q C 2.042 177.873 176.000 -0.282 0.000 0.972 255 Q CA 1.368 57.079 55.803 -0.154 0.000 0.847 255 Q CB -0.127 28.572 28.738 -0.064 0.000 0.903 255 Q HN 0.422 nan 8.270 nan 0.000 0.433 256 Q N 0.400 120.015 119.800 -0.308 0.000 2.046 256 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 256 Q C 1.949 177.843 176.000 -0.176 0.000 0.975 256 Q CA 2.031 57.614 55.803 -0.368 0.000 0.836 256 Q CB -0.168 28.473 28.738 -0.161 0.000 0.896 256 Q HN 0.154 nan 8.270 nan 0.000 0.428 257 S N 0.220 115.847 115.700 -0.122 0.000 2.382 257 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 257 S C 1.648 176.063 174.600 -0.309 0.000 1.027 257 S CA 1.035 59.156 58.200 -0.132 0.000 0.991 257 S CB -0.418 62.666 63.200 -0.193 0.000 0.823 257 S HN 0.413 nan 8.310 nan 0.000 0.469 258 L N 1.897 122.954 121.223 -0.275 0.000 2.046 258 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 258 L C 2.019 178.815 176.870 -0.123 0.000 1.077 258 L CA 1.485 56.191 54.840 -0.224 0.000 0.747 258 L CB -0.641 41.293 42.059 -0.207 0.000 0.896 258 L HN 0.296 nan 8.230 nan 0.000 0.432 259 L N -1.144 119.990 121.223 -0.148 0.000 1.989 259 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 259 L C 2.316 179.153 176.870 -0.055 0.000 1.071 259 L CA 2.316 57.087 54.840 -0.116 0.000 0.749 259 L CB -0.650 41.307 42.059 -0.169 0.000 0.890 259 L HN 0.358 nan 8.230 nan 0.000 0.431 260 T N 0.038 114.585 114.554 -0.012 0.000 2.684 260 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 260 T C 1.878 176.652 174.700 0.124 0.000 1.036 260 T CA 1.372 63.524 62.100 0.087 0.000 1.148 260 T CB -0.358 68.645 68.868 0.224 0.000 0.863 260 T HN 0.552 nan 8.240 nan 0.000 0.436 261 A N 1.131 124.012 122.820 0.101 0.000 1.940 261 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 261 A C 2.324 179.886 177.584 -0.036 0.000 1.176 261 A CA 1.663 53.759 52.037 0.099 0.000 0.631 261 A CB -0.675 18.309 19.000 -0.028 0.000 0.814 261 A HN 0.481 nan 8.150 nan 0.000 0.446 262 M N -1.254 118.309 119.600 -0.063 0.000 2.123 262 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 262 M C 2.478 178.718 176.300 -0.100 0.000 1.069 262 M CA 1.649 56.849 55.300 -0.167 0.000 1.133 262 M CB -0.388 32.128 32.600 -0.141 0.000 1.356 262 M HN 0.472 nan 8.290 nan 0.000 0.415 263 Q N -0.001 119.764 119.800 -0.057 0.000 2.020 263 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 263 Q C 1.913 177.890 176.000 -0.037 0.000 0.982 263 Q CA 1.189 56.962 55.803 -0.050 0.000 0.838 263 Q CB -0.042 28.674 28.738 -0.037 0.000 0.899 263 Q HN 0.426 nan 8.270 nan 0.000 0.423 264 E N 0.122 120.316 120.200 -0.009 0.000 2.318 264 E HA -0.024 4.325 4.350 -0.000 0.000 0.193 264 E C 0.363 176.958 176.600 -0.008 0.000 0.998 264 E CA 0.327 56.728 56.400 0.002 0.000 0.859 264 E CB 0.248 29.968 29.700 0.034 0.000 0.812 264 E HN 0.250 nan 8.360 nan 0.000 0.492 265 K N -0.126 120.252 120.400 -0.036 0.000 3.407 265 K HA -0.177 4.142 4.320 -0.000 0.000 0.312 265 K C -0.172 176.436 176.600 0.014 0.000 1.302 265 K CA 0.918 57.167 56.287 -0.062 0.000 0.931 265 K CB -0.841 31.633 32.500 -0.044 0.000 1.257 265 K HN 0.058 nan 8.250 nan 0.000 0.454 266 K N -0.337 120.103 120.400 0.067 0.000 2.527 266 K HA 0.582 4.902 4.320 -0.000 0.000 0.260 266 K C -1.514 175.227 176.600 0.235 0.000 0.937 266 K CA -0.784 55.574 56.287 0.118 0.000 0.826 266 K CB 1.761 34.290 32.500 0.048 0.000 1.359 266 K HN -0.008 nan 8.250 nan 0.000 0.434 267 F N 2.779 122.804 119.950 0.126 0.000 2.630 267 F HA 0.314 4.841 4.527 -0.000 0.000 0.325 267 F C -2.681 173.218 175.800 0.164 0.000 1.184 267 F CA -1.824 56.258 58.000 0.137 0.000 1.011 267 F CB 1.725 40.805 39.000 0.133 0.000 1.268 267 F HN 0.249 nan 8.300 nan 0.000 0.480 268 P HA 0.259 nan 4.420 nan 0.000 0.271 268 P C -0.470 176.777 177.300 -0.088 0.000 1.216 268 P CA 0.196 63.168 63.100 -0.214 0.000 0.776 268 P CB 0.835 32.367 31.700 -0.280 0.000 0.881 269 I N 1.741 122.305 120.570 -0.009 0.000 2.385 269 I HA 0.410 4.580 4.170 -0.000 0.000 0.294 269 I C 0.830 176.964 176.117 0.028 0.000 0.988 269 I CA 0.225 61.566 61.300 0.068 0.000 1.265 269 I CB 1.375 39.377 38.000 0.003 0.000 1.388 269 I HN 0.307 nan 8.210 nan 0.000 0.480 270 T N 3.400 117.991 114.554 0.063 0.000 2.821 270 T HA 0.500 4.850 4.350 -0.000 0.000 0.306 270 T C -0.350 174.386 174.700 0.061 0.000 1.313 270 T CA -0.511 61.614 62.100 0.042 0.000 1.012 270 T CB 1.550 70.429 68.868 0.019 0.000 1.298 270 T HN 0.745 nan 8.240 nan 0.000 0.502 271 G N 1.985 110.816 108.800 0.052 0.000 2.340 271 G HA2 0.286 4.246 3.960 -0.000 0.000 0.245 271 G HA3 0.286 4.246 3.960 -0.000 0.000 0.245 271 G C 0.713 175.650 174.900 0.061 0.000 1.294 271 G CA -0.124 45.012 45.100 0.060 0.000 0.896 271 G HN 0.637 nan 8.290 nan 0.000 0.522 272 Q N 0.918 120.758 119.800 0.067 0.000 2.163 272 Q HA 0.002 4.342 4.340 -0.000 0.000 0.198 272 Q C 1.649 177.680 176.000 0.053 0.000 0.954 272 Q CA 0.514 56.356 55.803 0.066 0.000 0.851 272 Q CB 0.041 28.825 28.738 0.077 0.000 0.928 272 Q HN 0.517 nan 8.270 nan 0.000 0.459 273 S N 0.774 116.501 115.700 0.045 0.000 2.475 273 S HA 0.120 4.590 4.470 -0.000 0.000 0.281 273 S C 0.620 175.228 174.600 0.013 0.000 1.198 273 S CA -0.316 57.898 58.200 0.023 0.000 1.063 273 S CB 0.882 64.087 63.200 0.009 0.000 0.972 273 S HN 0.107 nan 8.310 nan 0.000 0.486 274 E N 3.605 123.810 120.200 0.008 0.000 2.478 274 E HA -0.033 4.316 4.350 -0.000 0.000 0.198 274 E C 1.004 177.597 176.600 -0.012 0.000 1.046 274 E CA 0.532 56.935 56.400 0.005 0.000 0.870 274 E CB 0.020 29.724 29.700 0.007 0.000 0.818 274 E HN 0.666 nan 8.360 nan 0.000 0.527 275 M N -0.120 119.459 119.600 -0.035 0.000 2.541 275 M HA 0.071 4.551 4.480 -0.000 0.000 0.252 275 M C 1.070 177.283 176.300 -0.145 0.000 1.125 275 M CA 0.423 55.678 55.300 -0.075 0.000 1.091 275 M CB -0.001 32.548 32.600 -0.085 0.000 1.420 275 M HN -0.167 nan 8.290 nan 0.000 0.486 276 S N 0.354 115.997 115.700 -0.095 0.000 2.565 276 S HA 0.283 4.753 4.470 -0.000 0.000 0.290 276 S C 1.195 175.870 174.600 0.125 0.000 1.150 276 S CA -0.316 57.840 58.200 -0.073 0.000 1.058 276 S CB 1.216 64.421 63.200 0.008 0.000 1.032 276 S HN 0.419 nan 8.310 nan 0.000 0.510 277 S N 3.085 119.028 115.700 0.405 0.000 2.515 277 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 277 S C 1.818 176.501 174.600 0.137 0.000 0.987 277 S CA 0.711 59.052 58.200 0.236 0.000 0.936 277 S CB -0.726 62.591 63.200 0.195 0.000 0.766 277 S HN 0.902 nan 8.310 nan 0.000 0.528 278 G N 1.311 110.200 108.800 0.148 0.000 2.470 278 G HA2 0.111 4.070 3.960 -0.000 0.000 0.220 278 G HA3 0.111 4.070 3.960 -0.000 0.000 0.220 278 G C 1.486 176.424 174.900 0.064 0.000 1.121 278 G CA 0.456 45.609 45.100 0.089 0.000 0.766 278 G HN 0.747 nan 8.290 nan 0.000 0.553 279 A N 1.186 124.044 122.820 0.063 0.000 2.121 279 A HA 0.061 4.380 4.320 -0.000 0.000 0.218 279 A C 2.283 179.887 177.584 0.033 0.000 1.154 279 A CA 1.524 53.587 52.037 0.044 0.000 0.679 279 A CB -0.406 18.616 19.000 0.038 0.000 0.795 279 A HN 0.610 nan 8.150 nan 0.000 0.458 280 M N -1.895 117.727 119.600 0.037 0.000 2.495 280 M HA 0.318 4.798 4.480 -0.000 0.000 0.237 280 M C -0.513 175.799 176.300 0.020 0.000 1.131 280 M CA 0.309 55.624 55.300 0.025 0.000 1.032 280 M CB 0.072 32.688 32.600 0.026 0.000 1.513 280 M HN -0.089 nan 8.290 nan 0.000 0.488 281 V N 1.971 121.899 119.914 0.023 0.000 2.435 281 V HA 0.527 4.647 4.120 -0.000 0.000 0.290 281 V C -0.464 175.635 176.094 0.009 0.000 1.030 281 V CA -0.574 61.737 62.300 0.018 0.000 0.881 281 V CB 1.707 33.545 31.823 0.025 0.000 0.983 281 V HN 0.452 nan 8.190 nan 0.000 0.445 282 R N 2.768 123.266 120.500 -0.003 0.000 2.531 282 R HA 0.439 4.779 4.340 -0.000 0.000 0.293 282 R C -0.004 176.279 176.300 -0.028 0.000 1.124 282 R CA -0.270 55.816 56.100 -0.023 0.000 0.945 282 R CB 1.707 31.985 30.300 -0.037 0.000 1.195 282 R HN 0.928 nan 8.270 nan 0.000 0.433 283 T N 0.158 114.693 114.554 -0.031 0.000 2.698 283 T HA 0.200 4.550 4.350 -0.000 0.000 0.295 283 T C 0.323 174.994 174.700 -0.048 0.000 1.007 283 T CA -0.574 61.507 62.100 -0.031 0.000 0.980 283 T CB 0.769 69.616 68.868 -0.036 0.000 1.036 283 T HN 0.533 nan 8.240 nan 0.000 0.526 284 E N 1.679 121.855 120.200 -0.039 0.000 2.390 284 E HA 0.208 4.558 4.350 -0.000 0.000 0.261 284 E C -2.359 174.206 176.600 -0.058 0.000 1.076 284 E CA -1.751 54.622 56.400 -0.045 0.000 0.905 284 E CB -0.031 29.649 29.700 -0.032 0.000 0.984 284 E HN 0.468 nan 8.360 nan 0.000 0.427 285 P HA -0.088 nan 4.420 nan 0.000 0.261 285 P C -0.945 176.339 177.300 -0.026 0.000 1.173 285 P CA 0.357 63.428 63.100 -0.049 0.000 0.760 285 P CB 0.388 32.063 31.700 -0.040 0.000 0.783 286 V N 6.638 126.552 119.914 0.001 0.000 2.427 286 V HA 0.307 4.427 4.120 -0.000 0.000 0.286 286 V C -1.839 174.298 176.094 0.072 0.000 1.034 286 V CA -2.209 60.063 62.300 -0.046 0.000 0.893 286 V CB 1.225 32.861 31.823 -0.312 0.000 0.982 286 V HN 0.538 nan 8.190 nan 0.000 0.452 287 P HA 0.059 nan 4.420 nan 0.000 0.265 287 P C -0.192 177.082 177.300 -0.044 0.000 1.193 287 P CA 0.100 63.095 63.100 -0.176 0.000 0.765 287 P CB 0.407 31.770 31.700 -0.561 0.000 0.823 288 C N 0.400 119.763 119.300 0.105 0.000 3.327 288 C HA 0.302 4.762 4.460 -0.000 0.000 0.192 288 C C 0.174 175.239 174.990 0.124 0.000 1.603 288 C CA -0.896 58.272 59.018 0.250 0.000 1.222 288 C CB -1.449 26.420 27.740 0.215 0.000 1.981 288 C HN 0.388 nan 8.230 nan 0.000 0.563 289 D N 2.659 123.279 120.400 0.366 0.000 2.608 289 D HA 0.333 4.972 4.640 -0.000 0.000 0.224 289 D C 0.338 176.639 176.300 0.002 0.000 1.123 289 D CA -0.030 54.008 54.000 0.064 0.000 1.030 289 D CB -0.341 40.546 40.800 0.145 0.000 1.093 289 D HN 0.603 nan 8.370 nan 0.000 0.497 290 F N 0.147 120.167 119.950 0.116 0.000 2.450 290 F HA 0.660 5.187 4.527 -0.001 0.000 0.328 290 F C -0.405 175.477 175.800 0.137 0.000 1.068 290 F CA -1.533 56.517 58.000 0.083 0.000 1.007 290 F CB 0.414 39.442 39.000 0.046 0.000 1.251 290 F HN -0.206 nan 8.300 nan 0.000 0.492 291 V N 3.372 123.548 119.914 0.437 0.000 2.394 291 V HA 0.323 4.442 4.120 -0.000 0.000 0.282 291 V C -0.443 175.979 176.094 0.547 0.000 1.031 291 V CA -0.687 61.850 62.300 0.395 0.000 0.881 291 V CB 1.235 33.176 31.823 0.197 0.000 0.982 291 V HN 0.785 nan 8.190 nan 0.000 0.451 292 L N 6.928 128.591 121.223 0.733 0.000 2.292 292 L HA 0.569 4.909 4.340 -0.000 0.000 0.284 292 L C -0.334 176.686 176.870 0.251 0.000 1.065 292 L CA 0.390 55.438 54.840 0.347 0.000 0.806 292 L CB 1.485 43.630 42.059 0.143 0.000 1.175 292 L HN 0.422 nan 8.230 nan 0.000 0.431 293 V N 6.294 126.301 119.914 0.154 0.000 2.304 293 V HA 0.697 4.817 4.120 -0.000 0.000 0.278 293 V C 0.308 176.389 176.094 -0.021 0.000 1.018 293 V CA -0.278 62.128 62.300 0.176 0.000 0.814 293 V CB 0.815 32.854 31.823 0.361 0.000 1.021 293 V HN 0.994 nan 8.190 nan 0.000 0.440 294 A N 4.204 126.991 122.820 -0.056 0.000 2.303 294 A HA 0.985 5.305 4.320 -0.000 0.000 0.317 294 A C 0.107 177.597 177.584 -0.156 0.000 1.149 294 A CA -0.019 51.906 52.037 -0.187 0.000 0.822 294 A CB 1.390 20.323 19.000 -0.113 0.000 1.131 294 A HN 1.232 nan 8.150 nan 0.000 0.493 295 A N 0.314 122.987 122.820 -0.244 0.000 2.515 295 A HA 0.991 5.311 4.320 -0.000 0.000 0.296 295 A C 0.016 177.553 177.584 -0.078 0.000 1.094 295 A CA -0.042 51.926 52.037 -0.114 0.000 0.718 295 A CB 1.652 20.601 19.000 -0.084 0.000 1.307 295 A HN 2.424 nan 8.150 nan 0.000 0.408 296 G N 0.061 108.853 108.800 -0.013 0.000 2.427 296 G HA2 0.528 4.488 3.960 -0.000 0.000 0.306 296 G HA3 0.528 4.488 3.960 -0.000 0.000 0.306 296 G C -1.440 173.479 174.900 0.032 0.000 1.280 296 G CA -0.102 44.999 45.100 0.001 0.000 0.837 296 G HN 1.359 nan 8.290 nan 0.000 0.482 297 N N -1.407 117.316 118.700 0.038 0.000 2.741 297 N HA 0.505 5.245 4.740 -0.000 0.000 0.310 297 N C 0.934 176.488 175.510 0.073 0.000 1.295 297 N CA -0.973 52.113 53.050 0.060 0.000 0.893 297 N CB 0.645 39.161 38.487 0.049 0.000 1.247 297 N HN 0.299 nan 8.380 nan 0.000 0.596 298 L N -0.672 120.607 121.223 0.093 0.000 2.556 298 L HA -0.095 4.245 4.340 -0.000 0.000 0.230 298 L C 0.538 177.433 176.870 0.043 0.000 1.163 298 L CA 1.313 56.199 54.840 0.077 0.000 0.819 298 L CB -0.568 41.533 42.059 0.070 0.000 0.939 298 L HN 0.557 nan 8.230 nan 0.000 0.452 299 D N -2.363 118.058 120.400 0.035 0.000 2.389 299 D HA 0.002 4.642 4.640 -0.000 0.000 0.206 299 D C 2.017 178.328 176.300 0.018 0.000 1.055 299 D CA 0.507 54.520 54.000 0.021 0.000 0.856 299 D CB 0.214 41.024 40.800 0.016 0.000 0.957 299 D HN 0.211 nan 8.370 nan 0.000 0.509 300 T N 1.047 115.614 114.554 0.021 0.000 2.622 300 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 300 T C 2.165 176.874 174.700 0.015 0.000 1.047 300 T CA 0.822 62.930 62.100 0.014 0.000 1.159 300 T CB -0.406 68.469 68.868 0.012 0.000 0.863 300 T HN -0.031 nan 8.240 nan 0.000 0.422 301 V N 1.700 121.627 119.914 0.022 0.000 2.380 301 V HA -0.226 3.894 4.120 -0.000 0.000 0.251 301 V C 1.977 178.080 176.094 0.016 0.000 1.063 301 V CA 2.140 64.453 62.300 0.022 0.000 1.055 301 V CB -0.588 31.253 31.823 0.028 0.000 0.657 301 V HN 0.464 nan 8.190 nan 0.000 0.455 302 D N -0.920 119.487 120.400 0.012 0.000 2.224 302 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 302 D C 2.200 178.501 176.300 0.002 0.000 0.965 302 D CA 0.919 54.923 54.000 0.005 0.000 0.852 302 D CB -0.040 40.762 40.800 0.003 0.000 0.947 302 D HN 0.424 nan 8.370 nan 0.000 0.494 303 K N -0.252 120.150 120.400 0.004 0.000 2.356 303 K HA 0.161 4.481 4.320 -0.000 0.000 0.195 303 K C 0.776 177.380 176.600 0.006 0.000 1.037 303 K CA -0.011 56.277 56.287 0.002 0.000 1.014 303 K CB 0.240 32.741 32.500 0.002 0.000 0.815 303 K HN 0.296 nan 8.250 nan 0.000 0.507 304 M N -0.553 119.056 119.600 0.015 0.000 2.247 304 M HA 0.164 4.643 4.480 -0.000 0.000 0.326 304 M C 0.068 176.405 176.300 0.062 0.000 1.134 304 M CA -0.381 54.940 55.300 0.035 0.000 1.136 304 M CB 0.161 32.778 32.600 0.029 0.000 1.454 304 M HN -0.041 nan 8.290 nan 0.000 0.467 305 H N 3.494 122.554 119.070 -0.017 0.000 3.192 305 H HA 0.014 4.570 4.556 -0.000 0.000 0.295 305 H C -1.694 173.631 175.328 -0.006 0.000 0.943 305 H CA -0.243 55.798 56.048 -0.012 0.000 1.416 305 H CB 0.499 30.252 29.762 -0.016 0.000 1.434 305 H HN 0.444 nan 8.280 nan 0.000 0.565 306 P HA -0.309 nan 4.420 nan 0.000 0.216 306 P C 1.059 178.445 177.300 0.143 0.000 1.154 306 P CA 2.180 65.287 63.100 0.011 0.000 0.865 306 P CB 0.004 31.654 31.700 -0.082 0.000 0.789 307 A N -0.113 122.912 122.820 0.341 0.000 1.930 307 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 307 A C 2.460 180.143 177.584 0.164 0.000 1.175 307 A CA 1.134 53.329 52.037 0.264 0.000 0.627 307 A CB -1.572 17.612 19.000 0.308 0.000 0.815 307 A HN 0.180 nan 8.150 nan 0.000 0.443 308 L N -0.900 120.431 121.223 0.180 0.000 2.056 308 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 308 L C 2.770 179.674 176.870 0.056 0.000 1.078 308 L CA 1.764 56.624 54.840 0.033 0.000 0.749 308 L CB -0.343 41.708 42.059 -0.013 0.000 0.901 308 L HN 0.520 nan 8.230 nan 0.000 0.433 309 R N -0.658 119.893 120.500 0.085 0.000 2.073 309 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 309 R C 2.257 178.599 176.300 0.071 0.000 1.134 309 R CA 2.023 58.161 56.100 0.064 0.000 0.952 309 R CB -0.178 30.155 30.300 0.055 0.000 0.850 309 R HN 0.294 nan 8.270 nan 0.000 0.433 310 S N 0.319 116.069 115.700 0.083 0.000 2.368 310 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 310 S C 1.777 176.465 174.600 0.147 0.000 1.030 310 S CA 1.421 59.679 58.200 0.096 0.000 0.999 310 S CB -0.304 62.954 63.200 0.097 0.000 0.844 310 S HN 0.299 nan 8.310 nan 0.000 0.459 311 R N 1.502 122.083 120.500 0.135 0.000 2.083 311 R HA 0.040 4.380 4.340 -0.000 0.000 0.237 311 R C 1.984 178.411 176.300 0.211 0.000 1.137 311 R CA 1.528 57.730 56.100 0.169 0.000 0.951 311 R CB -0.729 29.601 30.300 0.049 0.000 0.851 311 R HN 0.436 nan 8.270 nan 0.000 0.434 312 I N 0.279 120.922 120.570 0.121 0.000 2.202 312 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 312 I C 2.268 178.445 176.117 0.101 0.000 1.091 312 I CA 1.172 62.540 61.300 0.114 0.000 1.368 312 I CB -0.304 37.736 38.000 0.066 0.000 1.058 312 I HN 0.144 nan 8.210 nan 0.000 0.410 313 R N 0.860 121.404 120.500 0.075 0.000 2.096 313 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 313 R C 2.253 178.546 176.300 -0.011 0.000 1.127 313 R CA 1.613 57.734 56.100 0.036 0.000 0.968 313 R CB -1.013 29.305 30.300 0.031 0.000 0.861 313 R HN 0.446 nan 8.270 nan 0.000 0.440 314 G N -0.793 108.015 108.800 0.014 0.000 2.426 314 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 314 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 314 G C 0.632 175.253 174.900 -0.464 0.000 1.156 314 G CA 0.220 45.208 45.100 -0.188 0.000 0.802 314 G HN 0.306 nan 8.290 nan 0.000 0.534 315 Y N 0.119 120.408 120.300 -0.019 0.000 2.527 315 Y HA 0.431 4.981 4.550 -0.000 0.000 0.247 315 Y C 1.449 177.306 175.900 -0.072 0.000 1.138 315 Y CA -0.635 57.442 58.100 -0.039 0.000 1.228 315 Y CB 0.723 39.187 38.460 0.007 0.000 1.252 315 Y HN 0.252 nan 8.280 nan 0.000 0.531 316 G N -1.308 107.516 108.800 0.040 0.000 3.107 316 G HA2 0.465 4.424 3.960 -0.000 0.000 0.232 316 G HA3 0.465 4.424 3.960 -0.000 0.000 0.232 316 G C -1.833 172.957 174.900 -0.184 0.000 1.339 316 G CA -0.556 44.545 45.100 0.003 0.000 1.033 316 G HN -0.042 nan 8.290 nan 0.000 0.567 317 Y N 0.020 120.367 120.300 0.080 0.000 2.420 317 Y HA 0.492 5.042 4.550 0.001 0.000 0.334 317 Y C 0.396 176.334 175.900 0.064 0.000 1.094 317 Y CA -0.484 57.650 58.100 0.056 0.000 1.126 317 Y CB 2.004 40.482 38.460 0.029 0.000 1.217 317 Y HN 0.352 nan 8.280 nan 0.000 0.462 318 E N 1.895 122.226 120.200 0.217 0.000 2.199 318 E HA 0.653 5.003 4.350 -0.000 0.000 0.269 318 E C -1.513 175.199 176.600 0.187 0.000 0.899 318 E CA -0.906 55.594 56.400 0.166 0.000 0.772 318 E CB 2.597 32.374 29.700 0.129 0.000 1.155 318 E HN 0.246 nan 8.360 nan 0.000 0.408 319 V N 3.005 123.014 119.914 0.158 0.000 2.623 319 V HA 0.157 4.277 4.120 -0.000 0.000 0.304 319 V C -1.335 174.871 176.094 0.187 0.000 1.054 319 V CA -0.969 61.428 62.300 0.163 0.000 0.882 319 V CB 1.248 33.094 31.823 0.038 0.000 1.002 319 V HN 0.643 nan 8.190 nan 0.000 0.424 320 Y N 6.020 126.395 120.300 0.125 0.000 2.383 320 Y HA 0.524 5.073 4.550 -0.000 0.000 0.344 320 Y C 0.262 176.215 175.900 0.088 0.000 0.986 320 Y CA -1.101 57.052 58.100 0.088 0.000 1.175 320 Y CB 1.078 39.581 38.460 0.072 0.000 1.152 320 Y HN 0.552 nan 8.280 nan 0.000 0.511 321 M N 6.391 125.664 119.600 -0.544 0.000 2.268 321 M HA 0.102 4.582 4.480 -0.000 0.000 0.349 321 M C 0.364 176.311 176.300 -0.588 0.000 1.485 321 M CA 0.448 55.493 55.300 -0.424 0.000 1.094 321 M CB -0.147 32.277 32.600 -0.294 0.000 1.843 321 M HN 0.701 nan 8.290 nan 0.000 0.460 322 R N 0.869 121.227 120.500 -0.237 0.000 2.784 322 R HA 0.062 4.402 4.340 -0.000 0.000 0.266 322 R C 1.245 177.481 176.300 -0.105 0.000 1.044 322 R CA 0.590 56.627 56.100 -0.105 0.000 1.151 322 R CB 0.438 30.742 30.300 0.007 0.000 1.037 322 R HN 0.738 nan 8.270 nan 0.000 0.478 323 T N -0.150 114.392 114.554 -0.020 0.000 3.044 323 T HA 0.139 4.489 4.350 -0.000 0.000 0.260 323 T C -0.412 174.288 174.700 -0.000 0.000 1.019 323 T CA 0.765 62.855 62.100 -0.016 0.000 0.921 323 T CB 0.052 68.935 68.868 0.025 0.000 1.053 323 T HN 0.809 nan 8.240 nan 0.000 0.533 324 T N -0.078 114.495 114.554 0.032 0.000 2.762 324 T HA 0.706 5.056 4.350 -0.000 0.000 0.301 324 T C -1.053 173.723 174.700 0.127 0.000 1.299 324 T CA -1.024 61.122 62.100 0.076 0.000 1.005 324 T CB 1.986 70.924 68.868 0.115 0.000 1.377 324 T HN 0.278 nan 8.240 nan 0.000 0.504 325 M N -1.209 118.476 119.600 0.142 0.000 2.520 325 M HA 0.721 5.201 4.480 -0.000 0.000 0.283 325 M C -3.275 172.906 176.300 -0.198 0.000 1.237 325 M CA -2.175 53.147 55.300 0.037 0.000 0.885 325 M CB 1.961 34.539 32.600 -0.036 0.000 1.727 325 M HN 0.273 nan 8.290 nan 0.000 0.468 326 P HA 0.030 nan 4.420 nan 0.000 0.267 326 P C -1.094 175.999 177.300 -0.345 0.000 1.200 326 P CA 0.282 62.992 63.100 -0.651 0.000 0.772 326 P CB 0.319 31.827 31.700 -0.320 0.000 0.855 327 D N 2.314 122.535 120.400 -0.298 0.000 2.483 327 D HA 0.121 4.761 4.640 -0.000 0.000 0.220 327 D C -0.272 175.980 176.300 -0.080 0.000 1.173 327 D CA -0.033 53.891 54.000 -0.128 0.000 0.964 327 D CB -0.443 40.322 40.800 -0.059 0.000 1.046 327 D HN 0.269 nan 8.370 nan 0.000 0.517 328 T N -0.228 114.282 114.554 -0.072 0.000 2.910 328 T HA 0.336 4.685 4.350 -0.000 0.000 0.287 328 T C 1.748 176.433 174.700 -0.025 0.000 1.050 328 T CA -0.859 61.215 62.100 -0.043 0.000 1.011 328 T CB 0.946 69.786 68.868 -0.046 0.000 1.195 328 T HN -0.023 nan 8.240 nan 0.000 0.540 329 I N 0.408 120.971 120.570 -0.013 0.000 2.226 329 I HA -0.071 4.099 4.170 -0.000 0.000 0.245 329 I C 2.570 178.683 176.117 -0.005 0.000 1.100 329 I CA 1.661 62.960 61.300 -0.001 0.000 1.374 329 I CB -1.398 36.604 38.000 0.004 0.000 1.057 329 I HN 0.844 nan 8.210 nan 0.000 0.413 330 E N 1.622 121.814 120.200 -0.013 0.000 2.110 330 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 330 E C 1.845 178.431 176.600 -0.023 0.000 0.988 330 E CA 1.784 58.175 56.400 -0.017 0.000 0.804 330 E CB -0.335 29.353 29.700 -0.020 0.000 0.745 330 E HN 0.555 nan 8.360 nan 0.000 0.458 331 N N -0.643 118.037 118.700 -0.033 0.000 2.171 331 N HA -0.053 4.687 4.740 -0.000 0.000 0.184 331 N C 1.864 177.355 175.510 -0.033 0.000 1.021 331 N CA 0.729 53.754 53.050 -0.043 0.000 0.854 331 N CB -0.039 38.410 38.487 -0.063 0.000 0.994 331 N HN 0.062 nan 8.380 nan 0.000 0.426 332 R N 0.927 121.415 120.500 -0.021 0.000 2.105 332 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 332 R C 2.248 178.554 176.300 0.010 0.000 1.135 332 R CA 0.954 57.053 56.100 -0.002 0.000 0.967 332 R CB -0.224 30.084 30.300 0.013 0.000 0.861 332 R HN 0.233 nan 8.270 nan 0.000 0.442 333 R N 1.104 121.606 120.500 0.004 0.000 2.096 333 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 333 R C 1.698 177.986 176.300 -0.020 0.000 1.127 333 R CA 1.334 57.432 56.100 -0.004 0.000 0.968 333 R CB 0.133 30.429 30.300 -0.007 0.000 0.861 333 R HN -0.024 nan 8.270 nan 0.000 0.440 334 K N 0.600 120.989 120.400 -0.017 0.000 2.097 334 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 334 K C 2.048 178.661 176.600 0.022 0.000 1.050 334 K CA 0.995 57.274 56.287 -0.012 0.000 0.938 334 K CB -0.267 32.216 32.500 -0.028 0.000 0.718 334 K HN 0.321 nan 8.250 nan 0.000 0.442 335 L N 0.698 121.932 121.223 0.017 0.000 2.201 335 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 335 L C 2.317 179.241 176.870 0.090 0.000 1.105 335 L CA 0.575 55.457 54.840 0.070 0.000 0.775 335 L CB -0.436 41.638 42.059 0.026 0.000 0.913 335 L HN -0.117 nan 8.230 nan 0.000 0.440 336 V N -0.362 119.557 119.914 0.009 0.000 2.307 336 V HA -0.307 3.813 4.120 -0.000 0.000 0.245 336 V C 2.454 178.470 176.094 -0.130 0.000 1.045 336 V CA 1.845 64.094 62.300 -0.085 0.000 1.024 336 V CB -0.525 31.192 31.823 -0.178 0.000 0.651 336 V HN 0.526 nan 8.190 nan 0.000 0.449 337 Q N -0.567 119.181 119.800 -0.086 0.000 2.096 337 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 337 Q C 2.199 178.168 176.000 -0.051 0.000 0.982 337 Q CA 2.332 58.086 55.803 -0.081 0.000 0.850 337 Q CB -0.277 28.434 28.738 -0.044 0.000 0.901 337 Q HN 0.608 nan 8.270 nan 0.000 0.422 338 F N 0.626 120.501 119.950 -0.126 0.000 2.069 338 F HA -0.231 4.295 4.527 -0.001 0.000 0.298 338 F C 1.968 177.672 175.800 -0.161 0.000 1.113 338 F CA 1.638 59.564 58.000 -0.124 0.000 1.214 338 F CB -0.651 38.283 39.000 -0.109 0.000 0.978 338 F HN -0.080 nan 8.300 nan 0.000 0.474 339 V N 0.955 120.655 119.914 -0.357 0.000 2.287 339 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 339 V C 2.821 178.630 176.094 -0.476 0.000 1.053 339 V CA 1.976 63.939 62.300 -0.562 0.000 1.027 339 V CB -1.815 29.741 31.823 -0.445 0.000 0.646 339 V HN 0.542 nan 8.190 nan 0.000 0.447 340 A N -0.648 121.999 122.820 -0.288 0.000 1.873 340 A HA -0.348 3.971 4.320 -0.000 0.000 0.218 340 A C 2.185 179.659 177.584 -0.185 0.000 1.193 340 A CA 2.380 54.315 52.037 -0.170 0.000 0.629 340 A CB -0.602 18.315 19.000 -0.138 0.000 0.826 340 A HN 0.653 nan 8.150 nan 0.000 0.447 341 Q N -0.946 118.717 119.800 -0.227 0.000 2.084 341 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 341 Q C 2.054 177.895 176.000 -0.265 0.000 0.978 341 Q CA 1.375 57.056 55.803 -0.203 0.000 0.844 341 Q CB -0.193 28.445 28.738 -0.166 0.000 0.898 341 Q HN 0.593 nan 8.270 nan 0.000 0.426 342 E N 0.199 120.129 120.200 -0.450 0.000 2.085 342 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 342 E C 2.183 178.617 176.600 -0.277 0.000 0.994 342 E CA 0.954 57.098 56.400 -0.427 0.000 0.801 342 E CB -0.275 29.025 29.700 -0.666 0.000 0.743 342 E HN 0.188 nan 8.360 nan 0.000 0.453 343 V N 1.530 121.279 119.914 -0.276 0.000 2.295 343 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 343 V C 2.537 178.532 176.094 -0.166 0.000 1.049 343 V CA 1.941 64.120 62.300 -0.202 0.000 1.024 343 V CB -0.459 31.217 31.823 -0.244 0.000 0.648 343 V HN 0.223 nan 8.190 nan 0.000 0.447 344 K N 0.861 121.177 120.400 -0.138 0.000 1.991 344 K HA -0.238 4.081 4.320 -0.000 0.000 0.212 344 K C 2.387 178.941 176.600 -0.076 0.000 1.049 344 K CA 2.086 58.325 56.287 -0.080 0.000 0.932 344 K CB -0.228 32.242 32.500 -0.050 0.000 0.717 344 K HN 0.566 nan 8.250 nan 0.000 0.441 345 R N -0.259 120.185 120.500 -0.092 0.000 2.235 345 R HA -0.080 4.259 4.340 -0.000 0.000 0.213 345 R C 1.500 177.761 176.300 -0.066 0.000 1.059 345 R CA 1.753 57.809 56.100 -0.074 0.000 0.997 345 R CB -0.291 29.962 30.300 -0.078 0.000 0.884 345 R HN 0.245 nan 8.270 nan 0.000 0.462 346 D N 0.425 120.778 120.400 -0.078 0.000 2.137 346 D HA -0.024 4.616 4.640 -0.000 0.000 0.202 346 D C 1.285 177.558 176.300 -0.045 0.000 0.970 346 D CA 2.210 56.175 54.000 -0.058 0.000 0.837 346 D CB -0.042 40.722 40.800 -0.060 0.000 0.981 346 D HN 0.397 nan 8.370 nan 0.000 0.475 347 G N 0.233 109.000 108.800 -0.054 0.000 2.175 347 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.265 347 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.265 347 G C 0.965 175.845 174.900 -0.034 0.000 0.979 347 G CA 0.869 45.944 45.100 -0.043 0.000 0.663 347 G HN 0.467 nan 8.290 nan 0.000 0.533 348 K N -0.451 119.929 120.400 -0.032 0.000 2.438 348 K HA 0.403 4.723 4.320 -0.000 0.000 0.206 348 K C 0.904 177.492 176.600 -0.020 0.000 1.081 348 K CA 0.403 56.677 56.287 -0.022 0.000 1.053 348 K CB 0.695 33.187 32.500 -0.015 0.000 0.908 348 K HN 0.697 nan 8.250 nan 0.000 0.556 349 I N -1.626 118.929 120.570 -0.025 0.000 2.934 349 I HA 0.586 4.756 4.170 -0.000 0.000 0.306 349 I C -2.801 173.298 176.117 -0.030 0.000 1.110 349 I CA -2.725 58.570 61.300 -0.009 0.000 1.019 349 I CB 1.830 39.855 38.000 0.042 0.000 1.227 349 I HN -0.236 nan 8.210 nan 0.000 0.434 350 P HA 0.292 nan 4.420 nan 0.000 0.277 350 P C -0.889 176.454 177.300 0.073 0.000 1.271 350 P CA -0.003 63.102 63.100 0.009 0.000 0.795 350 P CB 0.506 32.209 31.700 0.005 0.000 1.101 351 H N -1.269 117.973 119.070 0.287 0.000 2.660 351 H HA 0.295 4.851 4.556 -0.000 0.000 0.374 351 H C -0.243 175.326 175.328 0.402 0.000 1.291 351 H CA 0.547 56.816 56.048 0.368 0.000 1.437 351 H CB 0.027 29.969 29.762 0.299 0.000 1.509 351 H HN 0.218 nan 8.280 nan 0.000 0.614 352 F N 0.686 120.778 119.950 0.237 0.000 2.420 352 F HA 0.195 4.721 4.527 -0.000 0.000 0.342 352 F C 0.869 176.753 175.800 0.139 0.000 1.113 352 F CA -0.959 57.139 58.000 0.163 0.000 1.059 352 F CB 1.058 40.137 39.000 0.131 0.000 1.128 352 F HN 0.526 nan 8.300 nan 0.000 0.475 353 T N -0.612 114.032 114.554 0.151 0.000 2.698 353 T HA 0.158 4.508 4.350 -0.000 0.000 0.295 353 T C 1.394 176.147 174.700 0.088 0.000 1.007 353 T CA -0.500 61.612 62.100 0.020 0.000 0.980 353 T CB 0.784 69.621 68.868 -0.052 0.000 1.036 353 T HN 0.716 nan 8.240 nan 0.000 0.526 354 K N 0.155 120.463 120.400 -0.153 0.000 2.026 354 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 354 K C 2.167 178.731 176.600 -0.059 0.000 1.048 354 K CA 1.636 57.735 56.287 -0.314 0.000 0.929 354 K CB -0.256 31.842 32.500 -0.669 0.000 0.713 354 K HN 0.702 nan 8.250 nan 0.000 0.439 355 E N 0.241 120.410 120.200 -0.051 0.000 2.204 355 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 355 E C 1.703 178.342 176.600 0.066 0.000 0.990 355 E CA 1.161 57.562 56.400 0.001 0.000 0.821 355 E CB -0.122 29.570 29.700 -0.014 0.000 0.750 355 E HN 0.428 nan 8.360 nan 0.000 0.477 356 A N 0.429 123.311 122.820 0.104 0.000 1.898 356 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 356 A C 2.427 180.198 177.584 0.311 0.000 1.181 356 A CA 1.120 53.263 52.037 0.177 0.000 0.620 356 A CB -0.600 18.473 19.000 0.123 0.000 0.819 356 A HN 0.157 nan 8.150 nan 0.000 0.442 357 V N 0.601 120.716 119.914 0.335 0.000 2.407 357 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 357 V C 2.361 178.569 176.094 0.190 0.000 1.055 357 V CA 2.212 64.685 62.300 0.288 0.000 1.049 357 V CB -0.902 31.141 31.823 0.366 0.000 0.662 357 V HN 0.647 nan 8.190 nan 0.000 0.455 358 E N -0.127 120.163 120.200 0.149 0.000 2.110 358 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 358 E C 2.191 178.841 176.600 0.084 0.000 0.988 358 E CA 1.323 57.780 56.400 0.096 0.000 0.804 358 E CB -0.115 29.621 29.700 0.060 0.000 0.745 358 E HN 0.527 nan 8.360 nan 0.000 0.458 359 E N 0.979 121.239 120.200 0.100 0.000 2.106 359 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 359 E C 1.875 178.530 176.600 0.092 0.000 0.984 359 E CA 0.639 57.092 56.400 0.088 0.000 0.806 359 E CB -0.016 29.741 29.700 0.095 0.000 0.750 359 E HN 0.134 nan 8.360 nan 0.000 0.458 360 I N 0.072 120.718 120.570 0.128 0.000 2.286 360 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 360 I C 2.153 178.306 176.117 0.060 0.000 1.115 360 I CA 0.768 62.135 61.300 0.113 0.000 1.392 360 I CB -0.918 37.159 38.000 0.128 0.000 1.065 360 I HN 0.058 nan 8.210 nan 0.000 0.418 361 V N 0.874 120.821 119.914 0.055 0.000 2.453 361 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 361 V C 2.620 178.698 176.094 -0.027 0.000 1.048 361 V CA 1.346 63.655 62.300 0.015 0.000 1.049 361 V CB -0.650 31.193 31.823 0.032 0.000 0.672 361 V HN 0.364 nan 8.190 nan 0.000 0.457 362 R N -0.236 120.258 120.500 -0.010 0.000 2.096 362 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 362 R C 2.303 178.544 176.300 -0.098 0.000 1.127 362 R CA 1.191 57.263 56.100 -0.046 0.000 0.968 362 R CB -0.229 30.077 30.300 0.009 0.000 0.861 362 R HN 0.515 nan 8.270 nan 0.000 0.440 363 E N 0.691 120.865 120.200 -0.044 0.000 2.072 363 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 363 E C 2.045 178.593 176.600 -0.085 0.000 0.985 363 E CA 1.156 57.529 56.400 -0.045 0.000 0.801 363 E CB -0.211 29.494 29.700 0.009 0.000 0.750 363 E HN 0.288 nan 8.360 nan 0.000 0.452 364 A N 1.442 124.217 122.820 -0.075 0.000 1.940 364 A HA -0.269 4.050 4.320 -0.000 0.000 0.219 364 A C 2.156 179.651 177.584 -0.148 0.000 1.176 364 A CA 1.725 53.707 52.037 -0.092 0.000 0.631 364 A CB -0.537 18.416 19.000 -0.078 0.000 0.814 364 A HN 0.235 nan 8.150 nan 0.000 0.446 365 Q N -0.532 119.129 119.800 -0.231 0.000 2.020 365 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 365 Q C 2.101 177.737 176.000 -0.607 0.000 0.982 365 Q CA 1.746 57.291 55.803 -0.430 0.000 0.838 365 Q CB -0.197 28.182 28.738 -0.598 0.000 0.899 365 Q HN 0.652 nan 8.270 nan 0.000 0.423 366 K N 0.286 120.341 120.400 -0.575 0.000 2.147 366 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 366 K C 1.970 178.492 176.600 -0.130 0.000 1.049 366 K CA 0.903 56.977 56.287 -0.355 0.000 0.936 366 K CB -0.043 32.368 32.500 -0.149 0.000 0.722 366 K HN 0.035 nan 8.250 nan 0.000 0.446 367 R N 0.057 120.490 120.500 -0.113 0.000 2.275 367 R HA 0.072 4.412 4.340 -0.000 0.000 0.199 367 R C 2.023 178.302 176.300 -0.034 0.000 0.989 367 R CA 0.521 56.591 56.100 -0.049 0.000 1.016 367 R CB 0.069 30.344 30.300 -0.042 0.000 0.918 367 R HN 0.154 nan 8.270 nan 0.000 0.473 368 A N 0.477 123.268 122.820 -0.048 0.000 1.969 368 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 368 A C 1.521 179.114 177.584 0.015 0.000 1.169 368 A CA 1.067 53.102 52.037 -0.003 0.000 0.635 368 A CB -0.640 18.380 19.000 0.032 0.000 0.810 368 A HN 0.392 nan 8.150 nan 0.000 0.445 369 G N -0.871 107.949 108.800 0.033 0.000 2.366 369 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.299 369 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.299 369 G C 0.126 175.056 174.900 0.050 0.000 1.020 369 G CA 0.822 45.958 45.100 0.059 0.000 1.026 369 G HN 0.994 nan 8.290 nan 0.000 0.512 370 R N -0.369 120.179 120.500 0.080 0.000 3.325 370 R HA 0.210 4.550 4.340 -0.000 0.000 0.296 370 R C 0.443 176.829 176.300 0.144 0.000 1.157 370 R CA -0.458 55.668 56.100 0.044 0.000 1.156 370 R CB 0.461 30.711 30.300 -0.082 0.000 1.293 370 R HN 0.506 nan 8.270 nan 0.000 0.405 371 K N 2.375 122.879 120.400 0.172 0.000 2.524 371 K HA 0.158 4.477 4.320 -0.000 0.000 0.279 371 K C 0.637 177.397 176.600 0.266 0.000 0.993 371 K CA 0.974 57.403 56.287 0.236 0.000 1.030 371 K CB 0.552 33.137 32.500 0.142 0.000 0.891 371 K HN 0.782 nan 8.250 nan 0.000 0.488 372 G N 1.706 110.663 108.800 0.261 0.000 2.160 372 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 372 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 372 G C -0.666 174.324 174.900 0.151 0.000 1.008 372 G CA 0.679 45.898 45.100 0.198 0.000 0.724 372 G HN 0.899 nan 8.290 nan 0.000 0.514 373 H N -1.623 117.472 119.070 0.042 0.000 2.946 373 H HA 0.800 5.357 4.556 0.001 0.000 0.365 373 H C -0.036 175.270 175.328 -0.037 0.000 1.197 373 H CA -0.676 55.374 56.048 0.004 0.000 1.131 373 H CB 1.486 31.253 29.762 0.008 0.000 1.849 373 H HN 0.186 nan 8.280 nan 0.000 0.555 374 L N 0.658 121.905 121.223 0.039 0.000 2.381 374 L HA 0.396 4.735 4.340 -0.000 0.000 0.268 374 L C 0.373 177.232 176.870 -0.018 0.000 0.997 374 L CA -0.909 53.913 54.840 -0.030 0.000 0.818 374 L CB 2.250 44.269 42.059 -0.067 0.000 1.310 374 L HN 0.550 nan 8.230 nan 0.000 0.416 375 T N 1.638 116.162 114.554 -0.050 0.000 2.903 375 T HA 0.262 4.612 4.350 -0.000 0.000 0.314 375 T C 0.582 175.224 174.700 -0.097 0.000 1.078 375 T CA 0.199 62.266 62.100 -0.055 0.000 1.114 375 T CB 0.321 69.151 68.868 -0.063 0.000 0.987 375 T HN 0.498 nan 8.240 nan 0.000 0.548 376 L N 2.906 124.074 121.223 -0.091 0.000 3.069 376 L HA 0.324 4.664 4.340 -0.000 0.000 0.271 376 L C 0.784 177.573 176.870 -0.136 0.000 1.201 376 L CA -0.159 54.601 54.840 -0.133 0.000 1.015 376 L CB 0.232 42.232 42.059 -0.098 0.000 1.371 376 L HN 0.488 nan 8.230 nan 0.000 0.574 377 R N 0.687 121.124 120.500 -0.106 0.000 3.701 377 R HA 0.181 4.521 4.340 -0.000 0.000 0.210 377 R C 1.144 177.382 176.300 -0.103 0.000 1.598 377 R CA -0.083 55.970 56.100 -0.078 0.000 1.427 377 R CB -0.030 30.246 30.300 -0.040 0.000 1.339 377 R HN 0.265 nan 8.270 nan 0.000 0.720 378 L N 0.339 121.459 121.223 -0.171 0.000 2.456 378 L HA -0.105 4.235 4.340 -0.000 0.000 0.224 378 L C 2.294 179.180 176.870 0.027 0.000 1.148 378 L CA 0.702 55.390 54.840 -0.252 0.000 0.825 378 L CB -0.257 41.484 42.059 -0.529 0.000 0.937 378 L HN 0.366 nan 8.230 nan 0.000 0.450 379 R N 0.752 121.267 120.500 0.025 0.000 2.090 379 R HA -0.130 4.210 4.340 -0.000 0.000 0.228 379 R C 1.621 177.962 176.300 0.067 0.000 1.110 379 R CA 1.550 57.688 56.100 0.064 0.000 0.973 379 R CB -0.285 30.035 30.300 0.034 0.000 0.869 379 R HN 0.202 nan 8.270 nan 0.000 0.440 380 D N -0.079 120.345 120.400 0.039 0.000 2.097 380 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 380 D C 1.838 178.179 176.300 0.067 0.000 0.984 380 D CA 1.127 55.152 54.000 0.041 0.000 0.826 380 D CB -0.161 40.649 40.800 0.018 0.000 0.973 380 D HN 0.151 nan 8.370 nan 0.000 0.460 381 L N 0.429 121.694 121.223 0.071 0.000 2.042 381 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 381 L C 2.333 179.335 176.870 0.220 0.000 1.076 381 L CA 1.512 56.431 54.840 0.133 0.000 0.749 381 L CB -0.689 41.433 42.059 0.105 0.000 0.893 381 L HN 0.155 nan 8.230 nan 0.000 0.432 382 G N -1.026 107.944 108.800 0.283 0.000 2.470 382 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 382 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 382 G C 1.467 176.414 174.900 0.078 0.000 1.121 382 G CA 0.678 45.878 45.100 0.166 0.000 0.766 382 G HN 0.524 nan 8.290 nan 0.000 0.553 383 G N 0.994 109.845 108.800 0.086 0.000 2.394 383 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 383 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 383 G C 1.604 176.548 174.900 0.073 0.000 1.165 383 G CA 0.661 45.800 45.100 0.064 0.000 0.784 383 G HN 0.295 nan 8.290 nan 0.000 0.535 384 I N 1.003 121.626 120.570 0.089 0.000 2.252 384 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 384 I C 2.959 179.165 176.117 0.149 0.000 1.102 384 I CA 0.524 61.887 61.300 0.105 0.000 1.385 384 I CB -1.198 36.866 38.000 0.107 0.000 1.064 384 I HN 0.005 nan 8.210 nan 0.000 0.414 385 V N 1.314 121.312 119.914 0.140 0.000 2.252 385 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 385 V C 2.764 179.004 176.094 0.245 0.000 1.056 385 V CA 1.954 64.367 62.300 0.187 0.000 1.022 385 V CB -0.689 31.065 31.823 -0.115 0.000 0.641 385 V HN 0.377 nan 8.190 nan 0.000 0.445 386 R N -0.266 120.299 120.500 0.109 0.000 2.081 386 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 386 R C 2.388 178.738 176.300 0.083 0.000 1.131 386 R CA 1.432 57.583 56.100 0.084 0.000 0.960 386 R CB -0.568 29.754 30.300 0.038 0.000 0.856 386 R HN 0.554 nan 8.270 nan 0.000 0.436 387 A N 1.083 123.951 122.820 0.080 0.000 1.930 387 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 387 A C 2.324 179.942 177.584 0.057 0.000 1.175 387 A CA 1.528 53.600 52.037 0.059 0.000 0.627 387 A CB -0.483 18.551 19.000 0.056 0.000 0.815 387 A HN 0.390 nan 8.150 nan 0.000 0.443 388 A N -0.366 122.509 122.820 0.092 0.000 1.898 388 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 388 A C 2.403 179.971 177.584 -0.027 0.000 1.181 388 A CA 1.820 53.880 52.037 0.038 0.000 0.620 388 A CB -1.364 17.687 19.000 0.085 0.000 0.819 388 A HN 0.680 nan 8.150 nan 0.000 0.442 389 G N 0.023 108.850 108.800 0.046 0.000 2.446 389 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 389 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 389 G C 1.116 176.010 174.900 -0.009 0.000 1.168 389 G CA 1.252 46.358 45.100 0.011 0.000 0.771 389 G HN 0.448 nan 8.290 nan 0.000 0.551 390 D N 0.591 120.998 120.400 0.011 0.000 2.149 390 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 390 D C 2.493 178.788 176.300 -0.010 0.000 0.990 390 D CA 0.539 54.540 54.000 0.002 0.000 0.839 390 D CB -0.173 40.633 40.800 0.011 0.000 0.948 390 D HN 0.401 nan 8.370 nan 0.000 0.460 391 I N 0.879 121.441 120.570 -0.013 0.000 2.252 391 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 391 I C 2.471 178.567 176.117 -0.036 0.000 1.102 391 I CA 0.825 62.113 61.300 -0.020 0.000 1.385 391 I CB -0.227 37.762 38.000 -0.017 0.000 1.064 391 I HN -0.074 nan 8.210 nan 0.000 0.414 392 A N 0.667 123.453 122.820 -0.057 0.000 1.883 392 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 392 A C 2.439 179.993 177.584 -0.051 0.000 1.186 392 A CA 1.871 53.867 52.037 -0.068 0.000 0.624 392 A CB -1.011 17.927 19.000 -0.103 0.000 0.822 392 A HN 0.237 nan 8.150 nan 0.000 0.444 393 V N 0.313 120.202 119.914 -0.042 0.000 2.343 393 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 393 V C 2.553 178.630 176.094 -0.028 0.000 1.051 393 V CA 2.431 64.710 62.300 -0.034 0.000 1.036 393 V CB -0.685 31.123 31.823 -0.025 0.000 0.654 393 V HN 0.708 nan 8.190 nan 0.000 0.451 394 K N 0.468 120.855 120.400 -0.022 0.000 2.032 394 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 394 K C 2.081 178.670 176.600 -0.019 0.000 1.048 394 K CA 1.745 58.022 56.287 -0.017 0.000 0.927 394 K CB -0.135 32.358 32.500 -0.012 0.000 0.712 394 K HN 0.406 nan 8.250 nan 0.000 0.441 395 K N -0.900 119.486 120.400 -0.023 0.000 2.439 395 K HA 0.018 4.337 4.320 -0.000 0.000 0.197 395 K C 0.809 177.392 176.600 -0.028 0.000 1.041 395 K CA 0.616 56.890 56.287 -0.023 0.000 0.970 395 K CB 0.207 32.692 32.500 -0.024 0.000 0.773 395 K HN 0.509 nan 8.250 nan 0.000 0.479 396 G N 2.291 111.071 108.800 -0.034 0.000 2.160 396 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 396 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 396 G C -0.402 174.465 174.900 -0.054 0.000 1.022 396 G CA -0.037 45.038 45.100 -0.041 0.000 0.741 396 G HN 0.241 nan 8.290 nan 0.000 0.508 397 K N -0.347 120.018 120.400 -0.058 0.000 2.237 397 K HA 0.339 4.659 4.320 -0.000 0.000 0.270 397 K C 1.338 177.866 176.600 -0.120 0.000 1.015 397 K CA -0.008 56.236 56.287 -0.071 0.000 0.949 397 K CB 1.233 33.702 32.500 -0.052 0.000 0.976 397 K HN 0.177 nan 8.250 nan 0.000 0.472 398 K N 1.451 121.737 120.400 -0.190 0.000 2.155 398 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 398 K C -0.388 175.882 176.600 -0.550 0.000 1.052 398 K CA 1.315 57.356 56.287 -0.411 0.000 0.948 398 K CB 0.258 32.412 32.500 -0.578 0.000 0.728 398 K HN 0.423 nan 8.250 nan 0.000 0.448 399 Y N -1.174 119.116 120.300 -0.016 0.000 2.581 399 Y HA 0.324 4.874 4.550 0.001 0.000 0.345 399 Y C -0.642 175.189 175.900 -0.115 0.000 1.036 399 Y CA -1.490 56.594 58.100 -0.026 0.000 1.042 399 Y CB 1.606 40.073 38.460 0.011 0.000 1.289 399 Y HN -0.426 nan 8.280 nan 0.000 0.471 400 V N 2.506 122.388 119.914 -0.054 0.000 2.488 400 V HA 0.249 4.369 4.120 -0.000 0.000 0.277 400 V C -0.144 175.808 176.094 -0.237 0.000 1.046 400 V CA -0.448 61.641 62.300 -0.352 0.000 0.986 400 V CB 0.700 31.864 31.823 -1.098 0.000 0.989 400 V HN 0.730 nan 8.190 nan 0.000 0.475 401 E N 3.040 123.149 120.200 -0.152 0.000 2.281 401 E HA 0.422 4.772 4.350 -0.000 0.000 0.257 401 E C 0.780 177.343 176.600 -0.063 0.000 0.971 401 E CA -0.930 55.428 56.400 -0.070 0.000 0.839 401 E CB 1.685 31.369 29.700 -0.026 0.000 1.238 401 E HN 0.464 nan 8.360 nan 0.000 0.412 402 R N 1.261 121.751 120.500 -0.016 0.000 2.103 402 R HA -0.254 4.086 4.340 -0.000 0.000 0.242 402 R C 1.936 178.237 176.300 0.002 0.000 1.142 402 R CA 2.186 58.291 56.100 0.008 0.000 0.960 402 R CB -0.018 30.291 30.300 0.016 0.000 0.858 402 R HN 0.664 nan 8.270 nan 0.000 0.439 403 E N 0.054 120.250 120.200 -0.007 0.000 2.085 403 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 403 E C 1.175 177.768 176.600 -0.011 0.000 0.994 403 E CA 1.777 58.174 56.400 -0.005 0.000 0.801 403 E CB -0.006 29.689 29.700 -0.007 0.000 0.743 403 E HN 0.404 nan 8.360 nan 0.000 0.453 404 D N 0.098 120.477 120.400 -0.035 0.000 2.117 404 D HA -0.141 4.498 4.640 -0.000 0.000 0.197 404 D C 2.119 178.405 176.300 -0.023 0.000 0.987 404 D CA 1.142 55.113 54.000 -0.049 0.000 0.829 404 D CB -0.207 40.527 40.800 -0.109 0.000 0.961 404 D HN 0.148 nan 8.370 nan 0.000 0.460 405 V N 1.551 121.457 119.914 -0.012 0.000 2.407 405 V HA -0.202 3.917 4.120 -0.000 0.000 0.248 405 V C 2.549 178.674 176.094 0.052 0.000 1.055 405 V CA 1.016 63.347 62.300 0.052 0.000 1.049 405 V CB -0.356 31.530 31.823 0.105 0.000 0.662 405 V HN 0.187 nan 8.190 nan 0.000 0.455 406 I N -0.143 120.449 120.570 0.036 0.000 2.286 406 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 406 I C 2.502 178.639 176.117 0.033 0.000 1.115 406 I CA 1.623 62.945 61.300 0.037 0.000 1.392 406 I CB -0.344 37.674 38.000 0.030 0.000 1.065 406 I HN 0.378 nan 8.210 nan 0.000 0.418 407 E N 0.803 121.017 120.200 0.024 0.000 2.152 407 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 407 E C 2.336 178.954 176.600 0.030 0.000 0.983 407 E CA 0.991 57.405 56.400 0.023 0.000 0.818 407 E CB -0.085 29.623 29.700 0.013 0.000 0.758 407 E HN 0.480 nan 8.360 nan 0.000 0.467 408 A N 0.771 123.612 122.820 0.035 0.000 1.902 408 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 408 A C 2.442 180.057 177.584 0.052 0.000 1.181 408 A CA 1.054 53.118 52.037 0.046 0.000 0.623 408 A CB -0.631 18.408 19.000 0.064 0.000 0.818 408 A HN 0.123 nan 8.150 nan 0.000 0.443 409 V N 0.209 120.156 119.914 0.054 0.000 2.332 409 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 409 V C 2.574 178.697 176.094 0.048 0.000 1.055 409 V CA 2.489 64.821 62.300 0.053 0.000 1.038 409 V CB -0.591 31.264 31.823 0.052 0.000 0.651 409 V HN 0.711 nan 8.190 nan 0.000 0.450 410 K N -0.444 119.983 120.400 0.045 0.000 2.057 410 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 410 K C 2.170 178.796 176.600 0.043 0.000 1.050 410 K CA 1.938 58.252 56.287 0.044 0.000 0.935 410 K CB -0.141 32.383 32.500 0.040 0.000 0.715 410 K HN 0.415 nan 8.250 nan 0.000 0.439 411 M N -0.508 119.115 119.600 0.039 0.000 2.419 411 M HA 0.050 4.530 4.480 -0.000 0.000 0.264 411 M C 0.693 177.015 176.300 0.036 0.000 1.082 411 M CA 1.101 56.422 55.300 0.036 0.000 1.119 411 M CB 0.489 33.107 32.600 0.030 0.000 1.398 411 M HN 0.136 nan 8.290 nan 0.000 0.453 412 A N 0.878 123.722 122.820 0.040 0.000 2.793 412 A HA 0.274 4.594 4.320 -0.000 0.000 0.301 412 A C -0.189 177.419 177.584 0.041 0.000 1.172 412 A CA -0.774 51.287 52.037 0.040 0.000 0.973 412 A CB -0.384 18.642 19.000 0.044 0.000 1.164 412 A HN 0.471 nan 8.150 nan 0.000 0.542 413 K N 0.072 120.497 120.400 0.042 0.000 2.219 413 K HA 0.441 4.761 4.320 -0.000 0.000 0.258 413 K C -2.780 173.843 176.600 0.038 0.000 1.008 413 K CA -1.641 54.672 56.287 0.043 0.000 0.928 413 K CB -0.214 32.316 32.500 0.049 0.000 0.983 413 K HN -0.023 nan 8.250 nan 0.000 0.484 414 P HA -0.079 nan 4.420 nan 0.000 0.268 414 P C 0.522 177.841 177.300 0.031 0.000 1.204 414 P CA -0.355 62.764 63.100 0.031 0.000 0.768 414 P CB 0.381 32.099 31.700 0.030 0.000 0.842 415 L N 3.732 124.968 121.223 0.022 0.000 2.137 415 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 415 L C 1.598 178.481 176.870 0.022 0.000 1.085 415 L CA 2.092 56.941 54.840 0.015 0.000 0.760 415 L CB -1.032 41.028 42.059 0.002 0.000 0.893 415 L HN 0.283 nan 8.230 nan 0.000 0.434 416 E N -0.196 120.018 120.200 0.024 0.000 2.153 416 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 416 E C 2.193 178.822 176.600 0.049 0.000 0.988 416 E CA 1.487 57.904 56.400 0.029 0.000 0.811 416 E CB -0.224 29.490 29.700 0.023 0.000 0.746 416 E HN 0.577 nan 8.360 nan 0.000 0.466 417 K N 0.429 120.861 120.400 0.055 0.000 2.076 417 K HA -0.089 4.230 4.320 -0.000 0.000 0.204 417 K C 2.001 178.659 176.600 0.098 0.000 1.051 417 K CA 0.864 57.195 56.287 0.072 0.000 0.949 417 K CB 0.121 32.659 32.500 0.063 0.000 0.726 417 K HN 0.066 nan 8.250 nan 0.000 0.443 418 Q N 0.470 120.322 119.800 0.088 0.000 2.135 418 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 418 Q C 2.117 178.217 176.000 0.167 0.000 0.981 418 Q CA 1.298 57.168 55.803 0.112 0.000 0.856 418 Q CB -0.105 28.676 28.738 0.072 0.000 0.902 418 Q HN 0.233 nan 8.270 nan 0.000 0.425 419 L N 0.456 121.756 121.223 0.128 0.000 2.027 419 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 419 L C 2.236 179.281 176.870 0.291 0.000 1.074 419 L CA 1.826 56.765 54.840 0.166 0.000 0.745 419 L CB -0.564 41.537 42.059 0.070 0.000 0.898 419 L HN 0.144 nan 8.230 nan 0.000 0.433 420 A N -0.995 121.944 122.820 0.199 0.000 1.898 420 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 420 A C 1.979 179.725 177.584 0.270 0.000 1.181 420 A CA 1.866 54.029 52.037 0.209 0.000 0.620 420 A CB -0.745 18.330 19.000 0.125 0.000 0.819 420 A HN 0.480 nan 8.150 nan 0.000 0.442 421 D N -1.537 118.997 120.400 0.224 0.000 2.144 421 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 421 D C 1.531 177.964 176.300 0.221 0.000 0.978 421 D CA 1.167 55.280 54.000 0.189 0.000 0.833 421 D CB -0.424 40.467 40.800 0.151 0.000 0.961 421 D HN 0.746 nan 8.370 nan 0.000 0.470 422 W N 0.633 121.997 121.300 0.107 0.000 2.355 422 W HA -0.282 4.378 4.660 -0.001 0.000 0.309 422 W C 2.295 178.892 176.519 0.130 0.000 1.206 422 W CA 1.438 58.843 57.345 0.101 0.000 1.284 422 W CB -0.821 28.698 29.460 0.098 0.000 1.145 422 W HN 0.050 nan 8.180 nan 0.000 0.502 423 Y N 0.761 121.159 120.300 0.162 0.000 2.128 423 Y HA -0.277 4.272 4.550 -0.000 0.000 0.284 423 Y C 2.302 178.124 175.900 -0.130 0.000 1.154 423 Y CA 2.822 60.884 58.100 -0.063 0.000 1.149 423 Y CB -0.712 37.859 38.460 0.185 0.000 0.976 423 Y HN -0.021 nan 8.280 nan 0.000 0.505 424 I N 0.376 120.973 120.570 0.046 0.000 2.286 424 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 424 I C 2.564 178.589 176.117 -0.153 0.000 1.115 424 I CA 1.869 63.137 61.300 -0.054 0.000 1.392 424 I CB -0.438 37.607 38.000 0.075 0.000 1.065 424 I HN 0.403 nan 8.210 nan 0.000 0.418 425 E N 0.981 121.090 120.200 -0.151 0.000 2.072 425 E HA -0.216 4.133 4.350 -0.000 0.000 0.191 425 E C 2.349 178.792 176.600 -0.262 0.000 0.985 425 E CA 0.868 57.166 56.400 -0.170 0.000 0.801 425 E CB 0.158 29.780 29.700 -0.131 0.000 0.750 425 E HN 0.306 nan 8.360 nan 0.000 0.452 426 R N 0.819 121.058 120.500 -0.436 0.000 2.075 426 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 426 R C 2.258 178.401 176.300 -0.261 0.000 1.126 426 R CA 1.049 56.895 56.100 -0.423 0.000 0.963 426 R CB -0.468 29.406 30.300 -0.710 0.000 0.858 426 R HN 0.221 nan 8.270 nan 0.000 0.435 427 K N 0.919 121.110 120.400 -0.348 0.000 2.097 427 K HA -0.066 4.253 4.320 -0.000 0.000 0.205 427 K C 2.050 178.576 176.600 -0.123 0.000 1.050 427 K CA 0.895 57.036 56.287 -0.244 0.000 0.938 427 K CB -0.061 32.198 32.500 -0.401 0.000 0.718 427 K HN 0.170 nan 8.250 nan 0.000 0.442 428 K N 1.082 121.398 120.400 -0.139 0.000 2.147 428 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 428 K C 2.036 178.568 176.600 -0.113 0.000 1.049 428 K CA 1.241 57.468 56.287 -0.100 0.000 0.936 428 K CB -0.001 32.444 32.500 -0.091 0.000 0.722 428 K HN 0.099 nan 8.250 nan 0.000 0.446 429 E N 0.216 120.321 120.200 -0.159 0.000 2.118 429 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 429 E C 0.381 176.735 176.600 -0.411 0.000 0.992 429 E CA 1.438 57.661 56.400 -0.295 0.000 0.804 429 E CB 0.023 29.507 29.700 -0.360 0.000 0.741 429 E HN 0.338 nan 8.360 nan 0.000 0.458 430 Y N 0.163 120.420 120.300 -0.072 0.000 2.720 430 Y HA 0.348 4.897 4.550 -0.000 0.000 0.277 430 Y C 0.116 175.993 175.900 -0.038 0.000 1.144 430 Y CA -0.389 57.685 58.100 -0.043 0.000 1.221 430 Y CB 0.373 38.816 38.460 -0.029 0.000 1.163 430 Y HN -0.025 nan 8.280 nan 0.000 0.537 431 Q N 0.652 120.473 119.800 0.035 0.000 2.222 431 Q HA 0.468 4.808 4.340 -0.000 0.000 0.252 431 Q C -0.707 175.295 176.000 0.003 0.000 0.926 431 Q CA -0.646 55.165 55.803 0.013 0.000 0.899 431 Q CB 1.539 30.265 28.738 -0.020 0.000 1.250 431 Q HN 0.065 nan 8.270 nan 0.000 0.441 432 V N 5.450 125.366 119.914 0.004 0.000 2.299 432 V HA 0.262 4.382 4.120 -0.000 0.000 0.255 432 V C -0.350 175.737 176.094 -0.012 0.000 1.100 432 V CA -0.247 62.053 62.300 -0.001 0.000 0.938 432 V CB 0.021 31.845 31.823 0.001 0.000 1.139 432 V HN 0.557 nan 8.190 nan 0.000 0.490 433 I N 4.732 125.293 120.570 -0.015 0.000 2.439 433 I HA 0.469 4.639 4.170 -0.000 0.000 0.285 433 I C -0.008 176.099 176.117 -0.017 0.000 1.021 433 I CA -0.792 60.498 61.300 -0.017 0.000 1.091 433 I CB 1.956 39.945 38.000 -0.018 0.000 1.242 433 I HN 0.511 nan 8.210 nan 0.000 0.439 434 K N 3.714 124.104 120.400 -0.017 0.000 2.156 434 K HA 0.518 4.838 4.320 -0.000 0.000 0.271 434 K C 0.668 177.259 176.600 -0.014 0.000 0.995 434 K CA -0.321 55.957 56.287 -0.016 0.000 0.890 434 K CB 1.664 34.154 32.500 -0.018 0.000 1.073 434 K HN 0.683 nan 8.250 nan 0.000 0.454 435 T N -1.247 113.300 114.554 -0.012 0.000 3.170 435 T HA 0.236 4.586 4.350 -0.000 0.000 0.288 435 T C -0.035 174.661 174.700 -0.007 0.000 0.992 435 T CA -0.413 61.682 62.100 -0.008 0.000 0.909 435 T CB 0.103 68.968 68.868 -0.005 0.000 1.133 435 T HN 0.518 nan 8.240 nan 0.000 0.530 436 E N -0.060 120.134 120.200 -0.009 0.000 2.433 436 E HA 0.572 4.922 4.350 -0.000 0.000 0.278 436 E C 0.158 176.751 176.600 -0.012 0.000 0.976 436 E CA -0.760 55.635 56.400 -0.009 0.000 0.793 436 E CB 1.992 31.688 29.700 -0.007 0.000 1.311 436 E HN 0.383 nan 8.360 nan 0.000 0.460 437 G N 1.097 109.889 108.800 -0.012 0.000 2.593 437 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.237 437 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.237 437 G C -0.525 174.363 174.900 -0.019 0.000 1.312 437 G CA -0.207 44.884 45.100 -0.015 0.000 0.896 437 G HN 1.098 nan 8.290 nan 0.000 0.574 438 S N -0.887 114.801 115.700 -0.021 0.000 2.570 438 S HA 0.800 5.270 4.470 -0.000 0.000 0.270 438 S C -1.356 173.228 174.600 -0.026 0.000 1.149 438 S CA -0.297 57.887 58.200 -0.026 0.000 0.837 438 S CB 2.887 66.070 63.200 -0.028 0.000 1.124 438 S HN 1.139 nan 8.310 nan 0.000 0.465 439 E N 0.718 120.900 120.200 -0.030 0.000 2.343 439 E HA 0.413 4.763 4.350 -0.000 0.000 0.278 439 E C -1.141 175.439 176.600 -0.033 0.000 0.910 439 E CA -0.523 55.859 56.400 -0.029 0.000 0.757 439 E CB 2.289 31.972 29.700 -0.030 0.000 1.218 439 E HN 0.699 nan 8.360 nan 0.000 0.435 440 I N 0.917 121.468 120.570 -0.031 0.000 2.441 440 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 440 I C 1.215 177.310 176.117 -0.036 0.000 1.049 440 I CA 0.598 61.877 61.300 -0.033 0.000 1.381 440 I CB 0.734 38.716 38.000 -0.031 0.000 1.409 440 I HN 0.859 nan 8.210 nan 0.000 0.523 441 G N 4.689 113.465 108.800 -0.040 0.000 2.198 441 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 441 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 441 G C 0.049 174.918 174.900 -0.052 0.000 1.025 441 G CA 0.165 45.239 45.100 -0.043 0.000 0.769 441 G HN 0.714 nan 8.290 nan 0.000 0.507 442 R N -0.784 119.683 120.500 -0.054 0.000 2.515 442 R HA 0.689 5.028 4.340 -0.000 0.000 0.291 442 R C -1.228 175.033 176.300 -0.064 0.000 1.046 442 R CA -0.370 55.694 56.100 -0.061 0.000 0.914 442 R CB 1.966 32.237 30.300 -0.047 0.000 1.191 442 R HN 0.687 nan 8.270 nan 0.000 0.435 443 V N 3.779 123.644 119.914 -0.081 0.000 2.914 443 V HA 0.562 4.682 4.120 -0.000 0.000 0.314 443 V C -1.296 174.754 176.094 -0.072 0.000 1.084 443 V CA -0.968 61.287 62.300 -0.075 0.000 0.963 443 V CB 2.553 34.326 31.823 -0.084 0.000 1.025 443 V HN 0.883 nan 8.190 nan 0.000 0.432 444 N N 4.428 123.097 118.700 -0.051 0.000 2.645 444 N HA 0.381 5.121 4.740 -0.000 0.000 0.233 444 N C 0.208 175.701 175.510 -0.028 0.000 1.058 444 N CA 0.276 53.305 53.050 -0.036 0.000 0.942 444 N CB 1.423 39.897 38.487 -0.021 0.000 1.210 444 N HN 0.909 nan 8.380 nan 0.000 0.512 445 G N 0.652 109.430 108.800 -0.036 0.000 2.588 445 G HA2 0.613 4.573 3.960 -0.000 0.000 0.281 445 G HA3 0.613 4.573 3.960 -0.000 0.000 0.281 445 G C -0.412 174.499 174.900 0.019 0.000 1.236 445 G CA -0.391 44.702 45.100 -0.011 0.000 0.969 445 G HN 0.429 nan 8.290 nan 0.000 0.504 446 L N -0.109 121.138 121.223 0.040 0.000 2.438 446 L HA 0.638 4.978 4.340 -0.000 0.000 0.270 446 L C 0.018 176.928 176.870 0.067 0.000 0.972 446 L CA -0.846 54.023 54.840 0.049 0.000 0.831 446 L CB 2.181 44.264 42.059 0.041 0.000 1.273 446 L HN 0.673 nan 8.230 nan 0.000 0.405 447 A N 3.056 125.920 122.820 0.074 0.000 2.355 447 A HA 0.869 5.189 4.320 -0.000 0.000 0.324 447 A C -0.910 176.719 177.584 0.075 0.000 1.117 447 A CA -0.558 51.529 52.037 0.082 0.000 0.785 447 A CB 1.898 20.958 19.000 0.100 0.000 1.254 447 A HN 0.367 nan 8.150 nan 0.000 0.453 448 V N 3.726 123.680 119.914 0.066 0.000 2.357 448 V HA 0.289 4.408 4.120 -0.000 0.000 0.284 448 V C -0.563 175.565 176.094 0.056 0.000 1.018 448 V CA -0.470 61.867 62.300 0.062 0.000 0.841 448 V CB 1.185 33.040 31.823 0.054 0.000 0.991 448 V HN 0.667 nan 8.190 nan 0.000 0.437 449 I N 5.044 125.654 120.570 0.067 0.000 2.312 449 I HA 0.595 4.765 4.170 -0.000 0.000 0.291 449 I C 1.114 177.250 176.117 0.031 0.000 1.031 449 I CA 0.785 62.112 61.300 0.044 0.000 1.293 449 I CB 0.109 38.155 38.000 0.076 0.000 1.403 449 I HN 0.874 nan 8.210 nan 0.000 0.484 450 G N 5.473 114.278 108.800 0.009 0.000 2.536 450 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.277 450 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.277 450 G C 0.472 175.387 174.900 0.025 0.000 1.155 450 G CA 0.883 45.991 45.100 0.013 0.000 0.960 450 G HN 0.711 nan 8.290 nan 0.000 0.544 451 E N -1.290 118.930 120.200 0.033 0.000 2.421 451 E HA 0.472 4.822 4.350 -0.000 0.000 0.209 451 E C 1.602 178.231 176.600 0.048 0.000 0.871 451 E CA 1.434 57.857 56.400 0.037 0.000 1.064 451 E CB 0.274 29.994 29.700 0.032 0.000 1.075 451 E HN 0.769 nan 8.360 nan 0.000 0.513 452 Q N 0.102 119.934 119.800 0.053 0.000 2.409 452 Q HA 0.387 4.727 4.340 -0.000 0.000 0.345 452 Q C -1.283 174.758 176.000 0.068 0.000 0.847 452 Q CA -0.109 55.731 55.803 0.062 0.000 1.092 452 Q CB 1.423 30.196 28.738 0.059 0.000 1.377 452 Q HN 0.182 nan 8.270 nan 0.000 0.399 453 S N -0.099 115.644 115.700 0.071 0.000 2.720 453 S HA 0.623 5.092 4.470 -0.000 0.000 0.278 453 S C -0.283 174.367 174.600 0.084 0.000 1.172 453 S CA -0.662 57.587 58.200 0.081 0.000 1.019 453 S CB 1.654 64.912 63.200 0.097 0.000 1.049 453 S HN 0.447 nan 8.310 nan 0.000 0.483 454 G N 1.447 110.292 108.800 0.076 0.000 2.509 454 G HA2 0.871 4.831 3.960 -0.000 0.000 0.328 454 G HA3 0.871 4.831 3.960 -0.000 0.000 0.328 454 G C -1.118 173.825 174.900 0.072 0.000 1.194 454 G CA -0.660 44.484 45.100 0.073 0.000 0.967 454 G HN 0.706 nan 8.290 nan 0.000 0.488 455 I N -0.140 120.472 120.570 0.069 0.000 2.842 455 I HA 0.331 4.501 4.170 -0.000 0.000 0.297 455 I C -0.706 175.438 176.117 0.046 0.000 1.380 455 I CA -0.890 60.443 61.300 0.055 0.000 1.018 455 I CB 2.203 40.245 38.000 0.070 0.000 1.311 455 I HN 0.341 nan 8.210 nan 0.000 0.439 456 V N 6.866 126.796 119.914 0.027 0.000 2.655 456 V HA 0.101 4.221 4.120 -0.000 0.000 0.300 456 V C 0.177 176.285 176.094 0.023 0.000 1.044 456 V CA 0.008 62.320 62.300 0.020 0.000 1.095 456 V CB 1.144 32.971 31.823 0.005 0.000 0.952 456 V HN 0.459 nan 8.190 nan 0.000 0.485 457 L N 7.696 128.934 121.223 0.026 0.000 2.387 457 L HA 0.423 4.762 4.340 -0.000 0.000 0.259 457 L C -2.428 174.432 176.870 -0.017 0.000 1.050 457 L CA -1.793 53.069 54.840 0.036 0.000 0.922 457 L CB 1.948 44.062 42.059 0.091 0.000 1.280 457 L HN 0.507 nan 8.230 nan 0.000 0.449 458 P HA 0.197 nan 4.420 nan 0.000 0.267 458 P C -0.779 176.446 177.300 -0.125 0.000 1.209 458 P CA 0.418 63.479 63.100 -0.066 0.000 0.763 458 P CB 0.690 32.363 31.700 -0.045 0.000 0.816 459 I N 2.846 123.303 120.570 -0.188 0.000 2.498 459 I HA 0.353 4.522 4.170 -0.000 0.000 0.290 459 I C 0.389 176.387 176.117 -0.200 0.000 1.032 459 I CA -0.591 60.518 61.300 -0.318 0.000 1.073 459 I CB 2.233 39.915 38.000 -0.530 0.000 1.251 459 I HN 0.205 nan 8.210 nan 0.000 0.426 460 E N 4.103 124.207 120.200 -0.160 0.000 2.277 460 E HA 0.835 5.185 4.350 -0.000 0.000 0.266 460 E C -1.143 175.416 176.600 -0.069 0.000 0.901 460 E CA -1.016 55.329 56.400 -0.092 0.000 0.782 460 E CB 2.797 32.465 29.700 -0.054 0.000 1.228 460 E HN 0.652 nan 8.360 nan 0.000 0.424 461 A N 1.305 124.099 122.820 -0.045 0.000 2.455 461 A HA 0.682 5.002 4.320 -0.000 0.000 0.300 461 A C -1.020 176.559 177.584 -0.007 0.000 1.040 461 A CA -0.689 51.339 52.037 -0.015 0.000 0.697 461 A CB 1.330 20.316 19.000 -0.025 0.000 1.265 461 A HN 0.390 nan 8.150 nan 0.000 0.407 462 V N -0.413 119.513 119.914 0.020 0.000 3.007 462 V HA 0.882 5.002 4.120 -0.000 0.000 0.311 462 V C -0.816 175.288 176.094 0.017 0.000 1.120 462 V CA -0.822 61.478 62.300 0.000 0.000 0.980 462 V CB 1.448 33.264 31.823 -0.012 0.000 1.033 462 V HN 0.786 nan 8.190 nan 0.000 0.429 463 V N 2.868 122.756 119.914 -0.043 0.000 2.427 463 V HA 0.927 5.047 4.120 -0.000 0.000 0.286 463 V C 0.597 176.656 176.094 -0.058 0.000 1.034 463 V CA 0.506 62.753 62.300 -0.089 0.000 0.893 463 V CB 1.109 32.769 31.823 -0.272 0.000 0.982 463 V HN 1.504 nan 8.190 nan 0.000 0.452 464 A N 6.619 129.466 122.820 0.045 0.000 2.485 464 A HA 0.979 5.299 4.320 -0.000 0.000 0.292 464 A C -3.042 174.665 177.584 0.205 0.000 1.147 464 A CA -2.021 50.071 52.037 0.092 0.000 0.750 464 A CB 1.944 21.008 19.000 0.106 0.000 1.331 464 A HN 0.617 nan 8.150 nan 0.000 0.419 465 P HA 0.354 nan 4.420 nan 0.000 0.271 465 P C -0.237 177.159 177.300 0.161 0.000 1.216 465 P CA 0.220 63.449 63.100 0.214 0.000 0.776 465 P CB 0.786 32.560 31.700 0.125 0.000 0.881 466 A N 3.289 126.182 122.820 0.122 0.000 2.511 466 A HA 0.330 4.650 4.320 -0.000 0.000 0.242 466 A C 1.551 179.171 177.584 0.060 0.000 1.069 466 A CA 0.485 52.570 52.037 0.079 0.000 0.763 466 A CB -0.347 18.667 19.000 0.023 0.000 1.001 466 A HN 0.607 nan 8.150 nan 0.000 0.498 467 A N 1.956 124.815 122.820 0.064 0.000 2.067 467 A HA 0.254 4.573 4.320 -0.000 0.000 0.217 467 A C 1.423 179.024 177.584 0.029 0.000 1.156 467 A CA 1.437 53.505 52.037 0.052 0.000 0.683 467 A CB -0.234 18.803 19.000 0.062 0.000 0.808 467 A HN 1.271 nan 8.150 nan 0.000 0.455 468 S N -0.201 115.511 115.700 0.021 0.000 2.449 468 S HA 0.364 4.833 4.470 -0.000 0.000 0.310 468 S C 0.787 175.385 174.600 -0.003 0.000 1.096 468 S CA -0.477 57.728 58.200 0.008 0.000 1.095 468 S CB 0.956 64.159 63.200 0.005 0.000 1.007 468 S HN 0.435 nan 8.310 nan 0.000 0.474 469 K N 1.983 122.378 120.400 -0.007 0.000 2.555 469 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 469 K C 1.318 177.904 176.600 -0.024 0.000 1.032 469 K CA 1.034 57.310 56.287 -0.018 0.000 1.004 469 K CB -0.288 32.203 32.500 -0.016 0.000 0.804 469 K HN 0.637 nan 8.250 nan 0.000 0.496 470 E N 2.229 122.419 120.200 -0.018 0.000 2.307 470 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 470 E C 0.381 176.967 176.600 -0.022 0.000 0.975 470 E CA 0.543 56.931 56.400 -0.019 0.000 0.878 470 E CB 0.143 29.835 29.700 -0.013 0.000 0.845 470 E HN 0.604 nan 8.360 nan 0.000 0.488 471 E N -1.323 118.864 120.200 -0.020 0.000 2.372 471 E HA 0.513 4.863 4.350 -0.000 0.000 0.279 471 E C -0.501 176.088 176.600 -0.018 0.000 0.946 471 E CA -0.561 55.827 56.400 -0.021 0.000 0.769 471 E CB 1.847 31.538 29.700 -0.014 0.000 1.230 471 E HN 0.247 nan 8.360 nan 0.000 0.442 472 G N 2.534 111.322 108.800 -0.020 0.000 2.389 472 G HA2 0.555 4.515 3.960 -0.000 0.000 0.317 472 G HA3 0.555 4.515 3.960 -0.000 0.000 0.317 472 G C -0.928 173.971 174.900 -0.001 0.000 1.137 472 G CA -0.450 44.648 45.100 -0.004 0.000 0.870 472 G HN 0.415 nan 8.290 nan 0.000 0.496 473 K N 0.178 120.578 120.400 -0.000 0.000 2.444 473 K HA 0.549 4.869 4.320 -0.000 0.000 0.252 473 K C -1.010 175.565 176.600 -0.042 0.000 0.993 473 K CA -0.814 55.459 56.287 -0.023 0.000 0.847 473 K CB 2.884 35.362 32.500 -0.038 0.000 1.340 473 K HN 0.298 nan 8.250 nan 0.000 0.446 474 I N 2.876 123.417 120.570 -0.049 0.000 2.382 474 I HA 0.338 4.507 4.170 -0.000 0.000 0.285 474 I C -0.750 175.314 176.117 -0.089 0.000 1.007 474 I CA -0.601 60.665 61.300 -0.057 0.000 1.142 474 I CB 1.031 39.024 38.000 -0.013 0.000 1.289 474 I HN 0.347 nan 8.210 nan 0.000 0.453 475 I N 7.279 127.739 120.570 -0.184 0.000 2.328 475 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 475 I C -0.457 175.619 176.117 -0.068 0.000 1.012 475 I CA -0.709 60.485 61.300 -0.177 0.000 1.195 475 I CB 1.583 39.347 38.000 -0.394 0.000 1.350 475 I HN 0.173 nan 8.210 nan 0.000 0.464 476 V N 5.004 124.927 119.914 0.015 0.000 2.459 476 V HA 0.523 4.643 4.120 -0.000 0.000 0.295 476 V C 0.300 176.459 176.094 0.107 0.000 1.029 476 V CA -0.456 61.901 62.300 0.097 0.000 0.874 476 V CB 1.890 33.796 31.823 0.138 0.000 0.985 476 V HN 0.845 nan 8.190 nan 0.000 0.438 477 T N 0.084 114.732 114.554 0.157 0.000 2.932 477 T HA 0.812 5.161 4.350 -0.000 0.000 0.289 477 T C 0.523 175.316 174.700 0.155 0.000 1.039 477 T CA -0.108 62.068 62.100 0.127 0.000 1.024 477 T CB 1.967 70.909 68.868 0.124 0.000 1.090 477 T HN 1.526 nan 8.240 nan 0.000 0.496 478 G N 0.357 109.198 108.800 0.069 0.000 2.456 478 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.208 478 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.208 478 G C 0.012 174.869 174.900 -0.072 0.000 1.004 478 G CA -0.267 44.843 45.100 0.017 0.000 0.791 478 G HN 0.969 nan 8.290 nan 0.000 0.537 479 K N -0.772 119.604 120.400 -0.039 0.000 3.393 479 K HA -0.166 4.154 4.320 -0.000 0.000 0.272 479 K C 0.109 176.646 176.600 -0.105 0.000 1.004 479 K CA 0.386 56.648 56.287 -0.042 0.000 0.764 479 K CB -1.091 31.409 32.500 -0.001 0.000 1.373 479 K HN 0.351 nan 8.250 nan 0.000 0.458 480 L N 0.602 121.738 121.223 -0.144 0.000 2.397 480 L HA 0.251 4.590 4.340 -0.000 0.000 0.271 480 L C 1.639 178.444 176.870 -0.108 0.000 1.148 480 L CA 0.753 55.479 54.840 -0.189 0.000 0.825 480 L CB 0.709 42.638 42.059 -0.216 0.000 1.117 480 L HN 0.328 nan 8.230 nan 0.000 0.456 481 G N 0.940 109.680 108.800 -0.102 0.000 2.563 481 G HA2 0.159 4.119 3.960 -0.000 0.000 0.283 481 G HA3 0.159 4.119 3.960 -0.000 0.000 0.283 481 G C 0.675 175.544 174.900 -0.052 0.000 1.309 481 G CA -0.189 44.874 45.100 -0.062 0.000 1.022 481 G HN 0.788 nan 8.290 nan 0.000 0.501 482 E N -0.934 119.245 120.200 -0.034 0.000 2.085 482 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 482 E C 2.282 178.868 176.600 -0.023 0.000 0.994 482 E CA 1.050 57.435 56.400 -0.025 0.000 0.801 482 E CB -0.141 29.548 29.700 -0.018 0.000 0.743 482 E HN 0.525 nan 8.360 nan 0.000 0.453 483 I N 0.704 121.260 120.570 -0.024 0.000 2.315 483 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 483 I C 2.528 178.633 176.117 -0.019 0.000 1.117 483 I CA 0.851 62.141 61.300 -0.017 0.000 1.404 483 I CB -0.261 37.731 38.000 -0.014 0.000 1.071 483 I HN 0.186 nan 8.210 nan 0.000 0.419 484 A N 0.791 123.586 122.820 -0.041 0.000 1.930 484 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 484 A C 2.305 179.868 177.584 -0.034 0.000 1.175 484 A CA 1.445 53.450 52.037 -0.054 0.000 0.627 484 A CB -0.349 18.567 19.000 -0.141 0.000 0.815 484 A HN 0.300 nan 8.150 nan 0.000 0.443 485 K N -0.308 120.071 120.400 -0.036 0.000 2.057 485 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 485 K C 1.921 178.522 176.600 0.001 0.000 1.050 485 K CA 1.450 57.727 56.287 -0.017 0.000 0.935 485 K CB -0.130 32.358 32.500 -0.020 0.000 0.715 485 K HN 0.585 nan 8.250 nan 0.000 0.439 486 E N 0.500 120.700 120.200 -0.001 0.000 2.106 486 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 486 E C 2.063 178.673 176.600 0.015 0.000 0.984 486 E CA 0.798 57.202 56.400 0.006 0.000 0.806 486 E CB -0.055 29.646 29.700 0.003 0.000 0.750 486 E HN 0.296 nan 8.360 nan 0.000 0.458 487 A N 1.182 124.014 122.820 0.019 0.000 1.908 487 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 487 A C 2.516 180.128 177.584 0.045 0.000 1.181 487 A CA 1.284 53.340 52.037 0.033 0.000 0.627 487 A CB -0.743 18.282 19.000 0.041 0.000 0.818 487 A HN 0.119 nan 8.150 nan 0.000 0.445 488 V N -0.051 119.894 119.914 0.051 0.000 2.343 488 V HA -0.320 3.799 4.120 -0.000 0.000 0.247 488 V C 2.650 178.770 176.094 0.042 0.000 1.051 488 V CA 2.282 64.619 62.300 0.062 0.000 1.036 488 V CB -0.853 31.012 31.823 0.070 0.000 0.654 488 V HN 0.659 nan 8.190 nan 0.000 0.451 489 Q N -0.211 119.606 119.800 0.029 0.000 2.084 489 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 489 Q C 2.177 178.192 176.000 0.025 0.000 0.978 489 Q CA 1.547 57.364 55.803 0.022 0.000 0.844 489 Q CB -0.279 28.467 28.738 0.014 0.000 0.898 489 Q HN 0.642 nan 8.270 nan 0.000 0.426 490 N N 0.172 118.888 118.700 0.026 0.000 2.166 490 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 490 N C 1.858 177.389 175.510 0.034 0.000 1.019 490 N CA 0.997 54.063 53.050 0.027 0.000 0.856 490 N CB -0.287 38.215 38.487 0.025 0.000 0.993 490 N HN 0.057 nan 8.380 nan 0.000 0.426 491 V N 1.528 121.466 119.914 0.040 0.000 2.358 491 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 491 V C 2.498 178.623 176.094 0.051 0.000 1.047 491 V CA 1.878 64.206 62.300 0.046 0.000 1.035 491 V CB -0.815 31.039 31.823 0.051 0.000 0.658 491 V HN 0.442 nan 8.190 nan 0.000 0.452 492 S N 1.072 116.798 115.700 0.043 0.000 2.419 492 S HA -0.163 4.307 4.470 -0.000 0.000 0.233 492 S C 2.060 176.681 174.600 0.036 0.000 1.016 492 S CA 1.339 59.561 58.200 0.038 0.000 0.974 492 S CB -0.470 62.746 63.200 0.025 0.000 0.786 492 S HN 0.568 nan 8.310 nan 0.000 0.492 493 A N 2.151 124.992 122.820 0.034 0.000 1.877 493 A HA 0.071 4.390 4.320 -0.000 0.000 0.216 493 A C 2.228 179.841 177.584 0.048 0.000 1.186 493 A CA 1.531 53.587 52.037 0.032 0.000 0.620 493 A CB -0.826 18.191 19.000 0.028 0.000 0.822 493 A HN 0.600 nan 8.150 nan 0.000 0.443 494 I N -0.002 120.608 120.570 0.066 0.000 2.252 494 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 494 I C 2.151 178.376 176.117 0.181 0.000 1.102 494 I CA 0.795 62.157 61.300 0.102 0.000 1.385 494 I CB -0.289 37.763 38.000 0.086 0.000 1.064 494 I HN 0.249 nan 8.210 nan 0.000 0.414 495 I N 1.113 121.778 120.570 0.159 0.000 2.179 495 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 495 I C 2.426 178.520 176.117 -0.038 0.000 1.088 495 I CA 1.737 63.139 61.300 0.171 0.000 1.357 495 I CB -1.251 36.814 38.000 0.109 0.000 1.051 495 I HN 0.236 nan 8.210 nan 0.000 0.409 496 K N 0.415 120.803 120.400 -0.020 0.000 2.057 496 K HA -0.138 4.181 4.320 -0.000 0.000 0.207 496 K C 2.272 178.834 176.600 -0.064 0.000 1.049 496 K CA 1.188 57.440 56.287 -0.058 0.000 0.931 496 K CB -0.164 32.323 32.500 -0.022 0.000 0.714 496 K HN 0.259 nan 8.250 nan 0.000 0.440 497 R N 0.020 120.519 120.500 -0.001 0.000 2.073 497 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 497 R C 2.518 178.840 176.300 0.037 0.000 1.134 497 R CA 2.018 58.133 56.100 0.024 0.000 0.952 497 R CB -0.431 29.904 30.300 0.059 0.000 0.850 497 R HN 0.432 nan 8.270 nan 0.000 0.433 498 Y N 0.743 121.049 120.300 0.010 0.000 2.395 498 Y HA 0.069 4.619 4.550 -0.000 0.000 0.293 498 Y C 1.919 177.829 175.900 0.016 0.000 1.123 498 Y CA 0.806 58.912 58.100 0.010 0.000 1.227 498 Y CB -0.041 38.423 38.460 0.007 0.000 1.012 498 Y HN -0.257 nan 8.280 nan 0.000 0.552 499 K N 1.153 121.063 120.400 -0.817 0.000 2.305 499 K HA 0.282 4.601 4.320 -0.000 0.000 0.199 499 K C 0.993 177.441 176.600 -0.253 0.000 1.047 499 K CA 0.860 56.737 56.287 -0.683 0.000 0.976 499 K CB -0.318 31.779 32.500 -0.671 0.000 0.765 499 K HN 0.695 nan 8.250 nan 0.000 0.474 500 G N 0.365 109.066 108.800 -0.165 0.000 2.741 500 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.222 500 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.222 500 G C 0.336 175.189 174.900 -0.079 0.000 1.364 500 G CA 0.127 45.174 45.100 -0.087 0.000 0.866 500 G HN 0.236 nan 8.290 nan 0.000 0.555 501 E N -0.205 119.960 120.200 -0.059 0.000 2.209 501 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 501 E C 1.922 178.474 176.600 -0.080 0.000 0.993 501 E CA 1.494 57.858 56.400 -0.060 0.000 0.819 501 E CB -0.107 29.564 29.700 -0.050 0.000 0.745 501 E HN 0.502 nan 8.360 nan 0.000 0.477 502 D N 0.146 120.496 120.400 -0.084 0.000 2.221 502 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 502 D C 1.632 177.841 176.300 -0.152 0.000 0.982 502 D CA 0.456 54.383 54.000 -0.123 0.000 0.857 502 D CB -0.155 40.605 40.800 -0.066 0.000 0.934 502 D HN 0.135 nan 8.370 nan 0.000 0.475 503 I N 0.867 121.392 120.570 -0.076 0.000 2.315 503 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 503 I C 1.913 178.001 176.117 -0.049 0.000 1.125 503 I CA 1.304 62.590 61.300 -0.023 0.000 1.392 503 I CB -0.387 37.588 38.000 -0.041 0.000 1.065 503 I HN -0.008 nan 8.210 nan 0.000 0.424 504 S N -0.524 115.123 115.700 -0.090 0.000 2.555 504 S HA -0.132 4.338 4.470 -0.000 0.000 0.230 504 S C 2.074 176.596 174.600 -0.130 0.000 0.978 504 S CA 0.518 58.669 58.200 -0.083 0.000 0.934 504 S CB -0.620 62.538 63.200 -0.071 0.000 0.766 504 S HN 0.591 nan 8.310 nan 0.000 0.533 505 R N -0.496 119.844 120.500 -0.266 0.000 2.310 505 R HA 0.260 4.600 4.340 -0.000 0.000 0.202 505 R C -0.815 175.211 176.300 -0.456 0.000 0.933 505 R CA 0.226 56.080 56.100 -0.409 0.000 1.054 505 R CB 0.146 30.075 30.300 -0.618 0.000 0.985 505 R HN 0.431 nan 8.270 nan 0.000 0.489 506 Y N -1.188 119.108 120.300 -0.007 0.000 2.570 506 Y HA 0.387 4.937 4.550 -0.000 0.000 0.345 506 Y C -0.714 175.189 175.900 0.005 0.000 1.014 506 Y CA -1.928 56.175 58.100 0.006 0.000 1.063 506 Y CB 1.515 39.978 38.460 0.004 0.000 1.272 506 Y HN -0.170 nan 8.280 nan 0.000 0.477 507 D N 1.745 122.284 120.400 0.231 0.000 2.408 507 D HA 0.457 5.097 4.640 -0.000 0.000 0.243 507 D C -0.834 175.539 176.300 0.121 0.000 1.075 507 D CA -0.113 53.956 54.000 0.116 0.000 0.832 507 D CB 1.257 42.142 40.800 0.141 0.000 1.162 507 D HN 0.359 nan 8.370 nan 0.000 0.515 508 I N 2.814 123.397 120.570 0.023 0.000 2.312 508 I HA 0.189 4.358 4.170 -0.000 0.000 0.290 508 I C -0.209 175.876 176.117 -0.053 0.000 1.008 508 I CA -0.654 60.664 61.300 0.030 0.000 1.226 508 I CB 0.822 38.834 38.000 0.020 0.000 1.371 508 I HN 0.187 nan 8.210 nan 0.000 0.468 509 H N 4.801 123.881 119.070 0.016 0.000 2.519 509 H HA 0.495 5.050 4.556 -0.000 0.000 0.316 509 H C -0.654 174.682 175.328 0.014 0.000 1.065 509 H CA -0.325 55.736 56.048 0.022 0.000 1.264 509 H CB 1.495 31.268 29.762 0.018 0.000 1.413 509 H HN 0.218 nan 8.280 nan 0.000 0.465 510 V N 3.973 123.948 119.914 0.101 0.000 2.495 510 V HA 0.312 4.432 4.120 -0.000 0.000 0.298 510 V C -0.378 175.777 176.094 0.101 0.000 1.031 510 V CA -0.776 61.561 62.300 0.062 0.000 0.871 510 V CB 1.734 33.586 31.823 0.047 0.000 0.988 510 V HN 0.739 nan 8.190 nan 0.000 0.432 511 Q N 3.570 123.398 119.800 0.046 0.000 2.292 511 Q HA 0.504 4.844 4.340 -0.000 0.000 0.270 511 Q C -1.802 174.217 176.000 0.032 0.000 1.024 511 Q CA -0.577 55.282 55.803 0.094 0.000 0.768 511 Q CB 1.615 30.395 28.738 0.070 0.000 1.250 511 Q HN 0.660 nan 8.270 nan 0.000 0.447 512 F N 4.361 124.304 119.950 -0.010 0.000 2.404 512 F HA 0.249 4.776 4.527 -0.000 0.000 0.359 512 F C 0.217 175.980 175.800 -0.061 0.000 1.134 512 F CA -0.523 57.460 58.000 -0.029 0.000 1.160 512 F CB 0.601 39.585 39.000 -0.027 0.000 1.186 512 F HN 0.349 nan 8.300 nan 0.000 0.526 513 L N 5.238 126.480 121.223 0.033 0.000 2.462 513 L HA 0.031 4.371 4.340 -0.000 0.000 0.272 513 L C 0.756 177.552 176.870 -0.124 0.000 1.166 513 L CA -0.097 54.725 54.840 -0.030 0.000 0.880 513 L CB 0.240 42.279 42.059 -0.034 0.000 1.142 513 L HN 0.741 nan 8.230 nan 0.000 0.473 514 Q N 0.080 119.709 119.800 -0.285 0.000 2.480 514 Q HA -0.193 4.146 4.340 -0.000 0.000 0.265 514 Q C 0.266 175.775 176.000 -0.817 0.000 1.072 514 Q CA 0.957 56.303 55.803 -0.761 0.000 1.018 514 Q CB -1.687 26.831 28.738 -0.366 0.000 1.433 514 Q HN 0.907 nan 8.270 nan 0.000 0.513 515 T N -2.811 111.474 114.554 -0.449 0.000 4.058 515 T HA 0.268 4.617 4.350 -0.000 0.000 0.252 515 T C 0.486 175.094 174.700 -0.153 0.000 1.264 515 T CA -0.468 61.513 62.100 -0.198 0.000 1.094 515 T CB -0.216 68.629 68.868 -0.038 0.000 1.316 515 T HN 0.185 nan 8.240 nan 0.000 0.872 516 Y N 0.937 121.291 120.300 0.090 0.000 2.483 516 Y HA 0.062 4.612 4.550 -0.000 0.000 0.291 516 Y C 1.839 177.788 175.900 0.081 0.000 1.143 516 Y CA 0.386 58.531 58.100 0.075 0.000 1.289 516 Y CB -0.367 38.133 38.460 0.067 0.000 0.983 516 Y HN 0.458 nan 8.280 nan 0.000 0.556 517 E N -0.397 119.929 120.200 0.210 0.000 2.465 517 E HA 0.343 4.692 4.350 -0.000 0.000 0.195 517 E C 0.973 177.606 176.600 0.055 0.000 1.028 517 E CA 0.437 56.917 56.400 0.132 0.000 0.899 517 E CB 0.137 29.903 29.700 0.110 0.000 1.032 517 E HN 0.340 nan 8.360 nan 0.000 0.468 518 G N -0.743 108.080 108.800 0.038 0.000 2.712 518 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.683 518 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.683 518 G C -0.805 174.054 174.900 -0.067 0.000 1.320 518 G CA -0.584 44.501 45.100 -0.025 0.000 0.847 518 G HN 0.091 nan 8.290 nan 0.000 0.553 519 V N 1.194 121.019 119.914 -0.148 0.000 2.540 519 V HA 0.742 4.862 4.120 -0.000 0.000 0.302 519 V C 0.106 176.102 176.094 -0.162 0.000 1.035 519 V CA 0.259 62.430 62.300 -0.215 0.000 0.873 519 V CB 1.570 33.057 31.823 -0.559 0.000 0.992 519 V HN 1.290 nan 8.190 nan 0.000 0.428 520 E N 3.495 123.635 120.200 -0.099 0.000 2.317 520 E HA 0.857 5.207 4.350 -0.000 0.000 0.270 520 E C -0.047 176.528 176.600 -0.041 0.000 0.885 520 E CA -0.094 56.266 56.400 -0.067 0.000 0.760 520 E CB 2.164 31.838 29.700 -0.043 0.000 1.227 520 E HN 1.289 nan 8.360 nan 0.000 0.434 521 G N 2.026 110.807 108.800 -0.032 0.000 2.728 521 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.294 521 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.294 521 G C -0.298 174.602 174.900 -0.000 0.000 1.342 521 G CA -0.058 45.037 45.100 -0.009 0.000 0.866 521 G HN 0.977 nan 8.290 nan 0.000 0.534 522 D N -1.384 119.027 120.400 0.018 0.000 2.501 522 D HA 0.485 5.124 4.640 -0.000 0.000 0.224 522 D C 1.750 178.080 176.300 0.050 0.000 1.202 522 D CA 1.181 55.201 54.000 0.034 0.000 0.829 522 D CB 0.027 40.842 40.800 0.026 0.000 1.023 522 D HN 1.104 nan 8.370 nan 0.000 0.499 523 A N 0.546 123.397 122.820 0.052 0.000 2.172 523 A HA 0.265 4.584 4.320 -0.000 0.000 0.216 523 A C 2.077 179.708 177.584 0.078 0.000 1.154 523 A CA 1.160 53.231 52.037 0.057 0.000 0.701 523 A CB -0.340 18.692 19.000 0.053 0.000 0.789 523 A HN 0.355 nan 8.150 nan 0.000 0.465 524 A N -0.885 122.006 122.820 0.119 0.000 2.307 524 A HA 0.332 4.652 4.320 -0.000 0.000 0.218 524 A C 1.962 179.617 177.584 0.118 0.000 1.228 524 A CA 0.837 52.965 52.037 0.153 0.000 0.857 524 A CB -0.436 18.771 19.000 0.345 0.000 0.897 524 A HN 0.339 nan 8.150 nan 0.000 0.495 525 S N 0.852 116.606 115.700 0.091 0.000 2.359 525 S HA -0.240 4.230 4.470 -0.000 0.000 0.223 525 S C 1.893 176.517 174.600 0.041 0.000 1.039 525 S CA 1.918 60.159 58.200 0.068 0.000 1.042 525 S CB -0.610 62.620 63.200 0.050 0.000 0.915 525 S HN 0.859 nan 8.310 nan 0.000 0.439 526 I N -0.145 120.441 120.570 0.026 0.000 2.546 526 I HA -0.045 4.125 4.170 -0.000 0.000 0.255 526 I C 1.973 178.085 176.117 -0.010 0.000 1.163 526 I CA 1.100 62.404 61.300 0.006 0.000 1.457 526 I CB -0.518 37.482 38.000 0.001 0.000 1.092 526 I HN 0.060 nan 8.210 nan 0.000 0.434 527 S N 1.555 117.249 115.700 -0.010 0.000 2.368 527 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 527 S C 2.102 176.658 174.600 -0.073 0.000 1.029 527 S CA 1.479 59.651 58.200 -0.047 0.000 0.988 527 S CB -0.397 62.769 63.200 -0.057 0.000 0.838 527 S HN 0.382 nan 8.310 nan 0.000 0.462 528 V N 2.051 121.935 119.914 -0.050 0.000 2.358 528 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 528 V C 2.647 178.729 176.094 -0.020 0.000 1.047 528 V CA 1.590 63.859 62.300 -0.052 0.000 1.035 528 V CB -1.194 30.646 31.823 0.029 0.000 0.658 528 V HN 0.529 nan 8.190 nan 0.000 0.452 529 A N -0.183 122.637 122.820 -0.001 0.000 1.902 529 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 529 A C 2.410 179.987 177.584 -0.012 0.000 1.181 529 A CA 2.556 54.597 52.037 0.007 0.000 0.623 529 A CB -0.979 18.026 19.000 0.008 0.000 0.818 529 A HN 0.496 nan 8.150 nan 0.000 0.443 530 T N 0.278 114.813 114.554 -0.033 0.000 2.708 530 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 530 T C 2.242 176.915 174.700 -0.045 0.000 1.037 530 T CA 1.602 63.674 62.100 -0.047 0.000 1.146 530 T CB -0.477 68.358 68.868 -0.055 0.000 0.865 530 T HN 0.596 nan 8.240 nan 0.000 0.435 531 A N 0.887 123.674 122.820 -0.055 0.000 1.902 531 A HA -0.051 4.268 4.320 -0.000 0.000 0.217 531 A C 2.573 180.137 177.584 -0.034 0.000 1.181 531 A CA 1.368 53.370 52.037 -0.059 0.000 0.623 531 A CB -0.957 17.987 19.000 -0.094 0.000 0.818 531 A HN 0.363 nan 8.150 nan 0.000 0.443 532 V N -0.124 119.781 119.914 -0.014 0.000 2.379 532 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 532 V C 2.389 178.507 176.094 0.040 0.000 1.044 532 V CA 1.828 64.137 62.300 0.014 0.000 1.036 532 V CB -0.577 31.267 31.823 0.035 0.000 0.664 532 V HN 0.559 nan 8.190 nan 0.000 0.453 533 I N 0.012 120.609 120.570 0.045 0.000 2.252 533 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 533 I C 2.741 178.873 176.117 0.024 0.000 1.102 533 I CA 1.720 63.058 61.300 0.065 0.000 1.385 533 I CB -0.380 37.604 38.000 -0.027 0.000 1.064 533 I HN 0.350 nan 8.210 nan 0.000 0.414 534 S N 0.746 116.439 115.700 -0.012 0.000 2.359 534 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 534 S C 2.208 176.797 174.600 -0.019 0.000 1.035 534 S CA 1.645 59.831 58.200 -0.024 0.000 1.018 534 S CB -0.241 62.937 63.200 -0.037 0.000 0.876 534 S HN 0.465 nan 8.310 nan 0.000 0.448 535 A N 1.103 123.911 122.820 -0.020 0.000 1.898 535 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 535 A C 2.271 179.826 177.584 -0.048 0.000 1.181 535 A CA 1.305 53.321 52.037 -0.035 0.000 0.620 535 A CB -0.752 18.227 19.000 -0.035 0.000 0.819 535 A HN 0.576 nan 8.150 nan 0.000 0.442 536 L N -0.628 120.583 121.223 -0.020 0.000 2.093 536 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 536 L C 2.076 178.945 176.870 -0.001 0.000 1.085 536 L CA 1.125 55.948 54.840 -0.028 0.000 0.755 536 L CB -0.248 41.846 42.059 0.057 0.000 0.904 536 L HN 0.317 nan 8.230 nan 0.000 0.435 537 E N -0.364 119.855 120.200 0.032 0.000 2.472 537 E HA 0.101 4.450 4.350 -0.000 0.000 0.196 537 E C 1.296 177.897 176.600 0.001 0.000 1.033 537 E CA 0.705 57.125 56.400 0.033 0.000 0.886 537 E CB 0.383 30.110 29.700 0.045 0.000 0.944 537 E HN 0.380 nan 8.360 nan 0.000 0.492 538 G N 2.196 110.987 108.800 -0.016 0.000 2.246 538 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.273 538 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.273 538 G C 0.129 175.017 174.900 -0.020 0.000 1.055 538 G CA 0.234 45.321 45.100 -0.022 0.000 0.851 538 G HN 0.258 nan 8.290 nan 0.000 0.500 539 I N 2.027 122.584 120.570 -0.022 0.000 2.359 539 I HA 0.259 4.429 4.170 -0.000 0.000 0.284 539 I C -1.714 174.383 176.117 -0.033 0.000 1.018 539 I CA -2.482 58.801 61.300 -0.027 0.000 1.173 539 I CB 1.640 39.620 38.000 -0.032 0.000 1.326 539 I HN -0.070 nan 8.210 nan 0.000 0.462 540 P HA 0.073 nan 4.420 nan 0.000 0.266 540 P C -0.517 176.758 177.300 -0.041 0.000 1.193 540 P CA 0.337 63.417 63.100 -0.034 0.000 0.770 540 P CB 0.989 32.671 31.700 -0.030 0.000 0.836 541 I N 2.949 123.494 120.570 -0.043 0.000 2.392 541 I HA 0.281 4.450 4.170 -0.000 0.000 0.295 541 I C 1.222 177.312 176.117 -0.045 0.000 0.985 541 I CA -0.953 60.317 61.300 -0.049 0.000 1.221 541 I CB 1.130 39.099 38.000 -0.051 0.000 1.366 541 I HN 0.128 nan 8.210 nan 0.000 0.467 542 R N 5.115 125.585 120.500 -0.050 0.000 2.489 542 R HA 0.053 4.393 4.340 -0.000 0.000 0.287 542 R C 0.382 176.660 176.300 -0.036 0.000 1.053 542 R CA -0.359 55.716 56.100 -0.042 0.000 1.036 542 R CB 0.582 30.852 30.300 -0.050 0.000 0.966 542 R HN 0.558 nan 8.270 nan 0.000 0.432 543 Q N 1.624 121.407 119.800 -0.028 0.000 2.425 543 Q HA -0.064 4.275 4.340 -0.000 0.000 0.204 543 Q C 0.386 176.378 176.000 -0.014 0.000 0.933 543 Q CA 0.775 56.564 55.803 -0.023 0.000 0.939 543 Q CB 0.261 28.986 28.738 -0.021 0.000 1.044 543 Q HN 0.647 nan 8.270 nan 0.000 0.513 544 D N -0.622 119.771 120.400 -0.011 0.000 2.336 544 D HA 0.052 4.692 4.640 -0.000 0.000 0.228 544 D C 0.114 176.420 176.300 0.010 0.000 1.120 544 D CA -0.136 53.865 54.000 0.002 0.000 0.839 544 D CB 0.180 40.984 40.800 0.006 0.000 0.932 544 D HN -0.186 nan 8.370 nan 0.000 0.509 545 V N 0.211 120.123 119.914 -0.003 0.000 2.604 545 V HA 0.772 4.892 4.120 -0.000 0.000 0.305 545 V C -0.118 175.975 176.094 -0.001 0.000 1.043 545 V CA -0.971 61.328 62.300 -0.001 0.000 0.888 545 V CB 1.636 33.435 31.823 -0.040 0.000 0.995 545 V HN 0.373 nan 8.190 nan 0.000 0.429 546 A N 5.772 128.601 122.820 0.016 0.000 2.423 546 A HA 1.077 5.396 4.320 -0.000 0.000 0.304 546 A C -0.719 176.875 177.584 0.017 0.000 1.104 546 A CA -0.702 51.342 52.037 0.011 0.000 0.757 546 A CB 2.080 21.091 19.000 0.019 0.000 1.313 546 A HN 1.125 nan 8.150 nan 0.000 0.423 547 M N -0.303 119.303 119.600 0.011 0.000 2.520 547 M HA 0.792 5.272 4.480 -0.000 0.000 0.280 547 M C -0.969 175.343 176.300 0.020 0.000 1.232 547 M CA -0.334 54.974 55.300 0.015 0.000 0.892 547 M CB 2.083 34.682 32.600 -0.002 0.000 1.728 547 M HN 0.724 nan 8.290 nan 0.000 0.475 548 T N 0.406 114.976 114.554 0.026 0.000 3.041 548 T HA 0.871 5.221 4.350 -0.000 0.000 0.321 548 T C -0.994 173.723 174.700 0.029 0.000 1.184 548 T CA 0.324 62.443 62.100 0.032 0.000 1.050 548 T CB 1.768 70.658 68.868 0.037 0.000 1.159 548 T HN 1.512 nan 8.240 nan 0.000 0.469 549 G N 1.910 110.729 108.800 0.031 0.000 2.402 549 G HA2 0.454 4.413 3.960 -0.000 0.000 0.301 549 G HA3 0.454 4.413 3.960 -0.000 0.000 0.301 549 G C -0.905 174.012 174.900 0.029 0.000 1.615 549 G CA -0.077 45.039 45.100 0.027 0.000 0.889 549 G HN 0.841 nan 8.290 nan 0.000 0.647 550 S N -0.867 114.849 115.700 0.026 0.000 2.686 550 S HA 0.872 5.342 4.470 -0.000 0.000 0.270 550 S C -0.548 174.065 174.600 0.023 0.000 1.194 550 S CA -0.346 57.870 58.200 0.027 0.000 0.990 550 S CB 1.273 64.487 63.200 0.023 0.000 1.029 550 S HN 1.421 nan 8.310 nan 0.000 0.560 551 L N 1.667 122.904 121.223 0.023 0.000 2.506 551 L HA 0.598 4.937 4.340 -0.000 0.000 0.257 551 L C -0.560 176.322 176.870 0.019 0.000 0.964 551 L CA -0.107 54.745 54.840 0.020 0.000 0.836 551 L CB 1.986 44.058 42.059 0.022 0.000 1.384 551 L HN 0.819 nan 8.230 nan 0.000 0.410 552 S N 1.676 117.386 115.700 0.017 0.000 2.651 552 S HA 0.488 4.957 4.470 -0.000 0.000 0.291 552 S C 1.172 175.783 174.600 0.018 0.000 1.141 552 S CA -0.106 58.103 58.200 0.016 0.000 1.027 552 S CB 1.467 64.675 63.200 0.013 0.000 1.043 552 S HN 1.102 nan 8.310 nan 0.000 0.530 553 V N -0.397 119.528 119.914 0.018 0.000 2.867 553 V HA 0.016 4.136 4.120 -0.000 0.000 0.260 553 V C 1.906 178.013 176.094 0.022 0.000 1.099 553 V CA 1.099 63.412 62.300 0.022 0.000 1.122 553 V CB -1.186 30.649 31.823 0.019 0.000 0.708 553 V HN 0.860 nan 8.190 nan 0.000 0.490 554 R N 0.878 121.388 120.500 0.018 0.000 2.310 554 R HA 0.334 4.674 4.340 -0.000 0.000 0.202 554 R C 1.688 177.996 176.300 0.015 0.000 0.933 554 R CA 0.638 56.748 56.100 0.017 0.000 1.054 554 R CB 0.306 30.613 30.300 0.013 0.000 0.985 554 R HN 0.740 nan 8.270 nan 0.000 0.489 555 G N 1.698 110.507 108.800 0.015 0.000 2.176 555 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.232 555 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.232 555 G C -0.087 174.816 174.900 0.006 0.000 0.986 555 G CA 0.007 45.113 45.100 0.009 0.000 0.643 555 G HN 0.444 nan 8.290 nan 0.000 0.522 556 E N 0.706 120.911 120.200 0.008 0.000 2.316 556 E HA 0.457 4.807 4.350 -0.000 0.000 0.275 556 E C 0.421 177.027 176.600 0.009 0.000 1.029 556 E CA -0.574 55.830 56.400 0.007 0.000 0.871 556 E CB 0.898 30.603 29.700 0.008 0.000 1.022 556 E HN 0.132 nan 8.360 nan 0.000 0.418 557 V N 6.497 126.416 119.914 0.008 0.000 2.455 557 V HA 0.147 4.266 4.120 -0.000 0.000 0.273 557 V C 0.342 176.443 176.094 0.011 0.000 1.045 557 V CA -0.207 62.099 62.300 0.010 0.000 0.976 557 V CB 0.395 32.223 31.823 0.009 0.000 0.993 557 V HN 0.600 nan 8.190 nan 0.000 0.475 558 L N 7.626 128.857 121.223 0.013 0.000 2.344 558 L HA 0.533 4.872 4.340 -0.000 0.000 0.272 558 L C -2.041 174.838 176.870 0.014 0.000 1.035 558 L CA -2.028 52.820 54.840 0.013 0.000 0.807 558 L CB 1.683 43.750 42.059 0.014 0.000 1.237 558 L HN 0.399 nan 8.230 nan 0.000 0.442 559 P HA 0.147 nan 4.420 nan 0.000 0.270 559 P C -1.060 176.250 177.300 0.017 0.000 1.223 559 P CA -0.015 63.093 63.100 0.013 0.000 0.785 559 P CB 0.825 32.532 31.700 0.011 0.000 0.923 560 I N -2.034 118.547 120.570 0.019 0.000 3.002 560 I HA 0.780 4.950 4.170 -0.000 0.000 0.310 560 I C 0.039 176.171 176.117 0.026 0.000 1.087 560 I CA -1.207 60.107 61.300 0.023 0.000 1.017 560 I CB 1.464 39.481 38.000 0.028 0.000 1.226 560 I HN 0.313 nan 8.210 nan 0.000 0.443 561 G N 0.803 109.621 108.800 0.029 0.000 2.400 561 G HA2 0.517 4.477 3.960 -0.000 0.000 0.301 561 G HA3 0.517 4.477 3.960 -0.000 0.000 0.301 561 G C 0.515 175.442 174.900 0.044 0.000 1.154 561 G CA -0.489 44.633 45.100 0.036 0.000 0.852 561 G HN 1.872 nan 8.290 nan 0.000 0.511 562 G N -0.371 108.463 108.800 0.057 0.000 2.225 562 G HA2 0.090 4.050 3.960 -0.000 0.000 0.264 562 G HA3 0.090 4.050 3.960 -0.000 0.000 0.264 562 G C 1.227 176.162 174.900 0.059 0.000 1.060 562 G CA 0.807 45.947 45.100 0.066 0.000 0.833 562 G HN 1.661 nan 8.290 nan 0.000 0.498 563 A N -0.807 122.042 122.820 0.048 0.000 1.940 563 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 563 A C 2.521 180.121 177.584 0.027 0.000 1.176 563 A CA 2.817 54.868 52.037 0.023 0.000 0.631 563 A CB -0.612 18.381 19.000 -0.011 0.000 0.814 563 A HN 0.843 nan 8.150 nan 0.000 0.446 564 T N 0.111 114.699 114.554 0.056 0.000 2.701 564 T HA -0.043 4.307 4.350 -0.000 0.000 0.263 564 T C -0.170 174.574 174.700 0.075 0.000 1.040 564 T CA 1.690 63.836 62.100 0.075 0.000 1.147 564 T CB -1.079 67.895 68.868 0.176 0.000 0.865 564 T HN 0.369 nan 8.240 nan 0.000 0.426 565 P HA 0.027 nan 4.420 nan 0.000 0.218 565 P C 1.367 178.703 177.300 0.059 0.000 1.148 565 P CA 1.035 64.177 63.100 0.071 0.000 0.822 565 P CB -0.152 31.592 31.700 0.073 0.000 0.784 566 A N -0.553 122.299 122.820 0.053 0.000 1.873 566 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 566 A C 2.175 179.783 177.584 0.040 0.000 1.186 566 A CA 1.369 53.434 52.037 0.046 0.000 0.616 566 A CB -1.559 17.467 19.000 0.042 0.000 0.823 566 A HN 0.093 nan 8.150 nan 0.000 0.442 567 I N -0.453 120.138 120.570 0.034 0.000 2.286 567 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 567 I C 2.444 178.579 176.117 0.031 0.000 1.115 567 I CA 1.555 62.871 61.300 0.027 0.000 1.392 567 I CB -0.453 37.556 38.000 0.015 0.000 1.065 567 I HN 0.435 nan 8.210 nan 0.000 0.418 568 E N 0.866 121.089 120.200 0.038 0.000 2.153 568 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 568 E C 2.333 178.954 176.600 0.035 0.000 0.988 568 E CA 1.226 57.650 56.400 0.039 0.000 0.811 568 E CB -0.130 29.600 29.700 0.049 0.000 0.746 568 E HN 0.525 nan 8.360 nan 0.000 0.466 569 A N 1.263 124.106 122.820 0.037 0.000 1.930 569 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 569 A C 2.357 179.956 177.584 0.025 0.000 1.175 569 A CA 1.542 53.599 52.037 0.033 0.000 0.627 569 A CB -0.560 18.463 19.000 0.039 0.000 0.815 569 A HN 0.302 nan 8.150 nan 0.000 0.443 570 A N 0.163 122.999 122.820 0.026 0.000 1.877 570 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 570 A C 2.124 179.719 177.584 0.019 0.000 1.186 570 A CA 1.559 53.610 52.037 0.023 0.000 0.620 570 A CB -0.641 18.376 19.000 0.027 0.000 0.822 570 A HN 0.495 nan 8.150 nan 0.000 0.443 571 I N -0.470 120.112 120.570 0.020 0.000 2.163 571 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 571 I C 2.459 178.584 176.117 0.014 0.000 1.085 571 I CA 1.806 63.116 61.300 0.017 0.000 1.347 571 I CB -0.546 37.464 38.000 0.018 0.000 1.044 571 I HN 0.425 nan 8.210 nan 0.000 0.408 572 E N 0.780 120.990 120.200 0.016 0.000 2.204 572 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 572 E C 2.086 178.689 176.600 0.005 0.000 0.990 572 E CA 1.185 57.591 56.400 0.012 0.000 0.821 572 E CB -0.137 29.572 29.700 0.015 0.000 0.750 572 E HN 0.523 nan 8.360 nan 0.000 0.477 573 A N 0.022 122.846 122.820 0.006 0.000 2.208 573 A HA 0.260 4.579 4.320 -0.000 0.000 0.209 573 A C 1.694 179.278 177.584 0.000 0.000 1.161 573 A CA 0.745 52.782 52.037 0.000 0.000 0.782 573 A CB -0.157 18.844 19.000 0.001 0.000 0.816 573 A HN 0.311 nan 8.150 nan 0.000 0.477 574 G N -0.742 108.060 108.800 0.004 0.000 2.137 574 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.237 574 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.237 574 G C 0.027 174.931 174.900 0.008 0.000 1.002 574 G CA 0.182 45.285 45.100 0.005 0.000 0.702 574 G HN 0.445 nan 8.290 nan 0.000 0.515 575 I N 0.326 120.903 120.570 0.012 0.000 2.371 575 I HA 0.193 4.362 4.170 -0.000 0.000 0.290 575 I C 1.591 177.725 176.117 0.027 0.000 1.028 575 I CA -0.382 60.928 61.300 0.017 0.000 1.345 575 I CB 1.175 39.185 38.000 0.018 0.000 1.407 575 I HN 0.075 nan 8.210 nan 0.000 0.501 576 K N 5.148 125.568 120.400 0.033 0.000 2.167 576 K HA 0.127 4.447 4.320 -0.000 0.000 0.203 576 K C 0.071 176.716 176.600 0.076 0.000 1.052 576 K CA 1.065 57.379 56.287 0.045 0.000 0.956 576 K CB 0.135 32.661 32.500 0.044 0.000 0.735 576 K HN 0.544 nan 8.250 nan 0.000 0.451 577 M N 0.805 120.469 119.600 0.106 0.000 2.464 577 M HA 0.334 4.814 4.480 -0.000 0.000 0.308 577 M C -1.357 175.039 176.300 0.160 0.000 1.127 577 M CA -0.811 54.609 55.300 0.200 0.000 0.913 577 M CB 3.107 35.889 32.600 0.303 0.000 1.689 577 M HN -0.242 nan 8.290 nan 0.000 0.445 578 V N 4.290 124.324 119.914 0.200 0.000 2.709 578 V HA 0.628 4.748 4.120 -0.000 0.000 0.308 578 V C -1.359 174.849 176.094 0.189 0.000 1.062 578 V CA -0.577 61.804 62.300 0.134 0.000 0.901 578 V CB 2.200 34.067 31.823 0.073 0.000 1.003 578 V HN 0.803 nan 8.190 nan 0.000 0.425 579 I N 7.608 128.251 120.570 0.121 0.000 2.359 579 I HA 0.585 4.755 4.170 -0.000 0.000 0.294 579 I C -0.125 176.034 176.117 0.069 0.000 0.987 579 I CA -0.475 60.892 61.300 0.112 0.000 1.225 579 I CB 1.516 39.539 38.000 0.039 0.000 1.366 579 I HN 0.671 nan 8.210 nan 0.000 0.466 580 I N 4.539 125.148 120.570 0.065 0.000 3.095 580 I HA 0.683 4.852 4.170 -0.000 0.000 0.310 580 I C -2.883 173.252 176.117 0.030 0.000 1.196 580 I CA -2.576 58.746 61.300 0.036 0.000 0.985 580 I CB 2.505 40.516 38.000 0.019 0.000 1.250 580 I HN 0.167 nan 8.210 nan 0.000 0.446 581 P HA 0.137 nan 4.420 nan 0.000 0.275 581 P C -0.219 177.087 177.300 0.008 0.000 1.228 581 P CA -0.258 62.851 63.100 0.015 0.000 0.786 581 P CB 1.551 33.259 31.700 0.013 0.000 0.927 582 K N 1.993 122.399 120.400 0.010 0.000 2.103 582 K HA -0.133 4.186 4.320 -0.000 0.000 0.207 582 K C 1.809 178.406 176.600 -0.004 0.000 1.048 582 K CA 1.994 58.283 56.287 0.003 0.000 0.930 582 K CB -0.354 32.150 32.500 0.007 0.000 0.716 582 K HN 0.484 nan 8.250 nan 0.000 0.444 583 S N -0.133 115.567 115.700 0.000 0.000 2.500 583 S HA -0.104 4.366 4.470 -0.000 0.000 0.239 583 S C 0.980 175.577 174.600 -0.006 0.000 0.989 583 S CA 1.324 59.524 58.200 -0.000 0.000 0.951 583 S CB -0.349 62.854 63.200 0.005 0.000 0.759 583 S HN 0.408 nan 8.310 nan 0.000 0.523 584 N N 0.757 119.449 118.700 -0.014 0.000 2.236 584 N HA 0.186 4.926 4.740 -0.000 0.000 0.196 584 N C 1.303 176.773 175.510 -0.065 0.000 1.114 584 N CA 0.052 53.084 53.050 -0.029 0.000 0.859 584 N CB 0.115 38.591 38.487 -0.018 0.000 0.982 584 N HN 0.515 nan 8.380 nan 0.000 0.493 585 E N 1.729 121.895 120.200 -0.057 0.000 2.130 585 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 585 E C 0.963 177.483 176.600 -0.132 0.000 0.998 585 E CA 1.234 57.586 56.400 -0.080 0.000 0.806 585 E CB 0.202 29.871 29.700 -0.051 0.000 0.738 585 E HN 0.244 nan 8.360 nan 0.000 0.459 586 K N -0.026 120.305 120.400 -0.114 0.000 2.487 586 K HA -0.011 4.309 4.320 -0.000 0.000 0.192 586 K C 0.418 176.845 176.600 -0.288 0.000 1.027 586 K CA 0.364 56.566 56.287 -0.143 0.000 1.054 586 K CB 0.403 32.883 32.500 -0.033 0.000 0.824 586 K HN 0.140 nan 8.250 nan 0.000 0.510 587 D N 0.660 120.873 120.400 -0.313 0.000 2.363 587 D HA 0.014 4.654 4.640 -0.000 0.000 0.214 587 D C -0.326 175.530 176.300 -0.740 0.000 1.093 587 D CA 0.277 54.047 54.000 -0.383 0.000 0.837 587 D CB 0.754 41.509 40.800 -0.074 0.000 0.948 587 D HN -0.122 nan 8.370 nan 0.000 0.507 588 V N 1.907 121.372 119.914 -0.749 0.000 2.385 588 V HA 0.195 4.315 4.120 -0.000 0.000 0.269 588 V C -0.439 175.206 176.094 -0.749 0.000 1.043 588 V CA -0.272 61.703 62.300 -0.543 0.000 0.906 588 V CB 0.294 31.955 31.823 -0.271 0.000 0.995 588 V HN -0.080 nan 8.190 nan 0.000 0.467 589 F N 6.041 126.002 119.950 0.017 0.000 2.434 589 F HA 0.633 5.159 4.527 -0.001 0.000 0.367 589 F C -0.177 175.634 175.800 0.017 0.000 1.093 589 F CA -0.519 57.492 58.000 0.018 0.000 1.085 589 F CB 0.878 39.892 39.000 0.024 0.000 1.322 589 F HN 0.207 nan 8.300 nan 0.000 0.452 590 L N 1.976 123.274 121.223 0.124 0.000 2.354 590 L HA 0.608 4.948 4.340 -0.000 0.000 0.269 590 L C 0.312 177.225 176.870 0.071 0.000 1.005 590 L CA -1.019 53.870 54.840 0.082 0.000 0.819 590 L CB 2.420 44.499 42.059 0.033 0.000 1.311 590 L HN 0.541 nan 8.230 nan 0.000 0.423 591 S N 0.786 116.522 115.700 0.060 0.000 2.614 591 S HA 0.221 4.691 4.470 -0.000 0.000 0.265 591 S C 0.816 175.434 174.600 0.030 0.000 1.303 591 S CA -0.587 57.640 58.200 0.046 0.000 1.000 591 S CB 1.229 64.453 63.200 0.041 0.000 0.935 591 S HN 0.629 nan 8.310 nan 0.000 0.551 592 K N 0.716 121.129 120.400 0.022 0.000 2.103 592 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 592 K C 1.497 178.102 176.600 0.008 0.000 1.048 592 K CA 1.780 58.074 56.287 0.012 0.000 0.930 592 K CB -0.444 32.061 32.500 0.008 0.000 0.716 592 K HN 0.672 nan 8.250 nan 0.000 0.444 593 D N 1.041 121.448 120.400 0.012 0.000 2.103 593 D HA -0.192 4.448 4.640 -0.000 0.000 0.190 593 D C 1.812 178.117 176.300 0.009 0.000 0.997 593 D CA 1.518 55.524 54.000 0.010 0.000 0.833 593 D CB -0.082 40.726 40.800 0.013 0.000 0.961 593 D HN 0.236 nan 8.370 nan 0.000 0.447 594 K N 0.924 121.332 120.400 0.014 0.000 2.057 594 K HA -0.012 4.307 4.320 -0.000 0.000 0.206 594 K C 2.271 178.874 176.600 0.005 0.000 1.050 594 K CA 0.958 57.253 56.287 0.013 0.000 0.935 594 K CB -0.124 32.389 32.500 0.022 0.000 0.715 594 K HN 0.028 nan 8.250 nan 0.000 0.439 595 A N 2.363 125.184 122.820 0.002 0.000 1.940 595 A HA -0.240 4.079 4.320 -0.000 0.000 0.219 595 A C 1.958 179.530 177.584 -0.020 0.000 1.176 595 A CA 1.934 53.963 52.037 -0.012 0.000 0.631 595 A CB -0.566 18.426 19.000 -0.013 0.000 0.814 595 A HN 0.564 nan 8.150 nan 0.000 0.446 596 E N -0.337 119.855 120.200 -0.013 0.000 2.482 596 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 596 E C 1.304 177.896 176.600 -0.012 0.000 1.047 596 E CA 0.829 57.219 56.400 -0.016 0.000 0.869 596 E CB -0.124 29.570 29.700 -0.011 0.000 0.836 596 E HN 0.592 nan 8.360 nan 0.000 0.520 597 K N 0.286 120.682 120.400 -0.008 0.000 2.393 597 K HA 0.286 4.606 4.320 -0.000 0.000 0.193 597 K C 0.307 176.905 176.600 -0.003 0.000 1.026 597 K CA 0.085 56.370 56.287 -0.003 0.000 1.064 597 K CB 0.671 33.173 32.500 0.003 0.000 0.833 597 K HN 0.160 nan 8.250 nan 0.000 0.521 598 I N 0.376 120.938 120.570 -0.012 0.000 2.894 598 I HA 0.120 4.290 4.170 -0.000 0.000 0.302 598 I C -1.543 174.545 176.117 -0.048 0.000 1.188 598 I CA -0.826 60.466 61.300 -0.013 0.000 1.014 598 I CB 2.416 40.415 38.000 -0.002 0.000 1.242 598 I HN -0.109 nan 8.210 nan 0.000 0.430 599 Q N 6.123 125.891 119.800 -0.053 0.000 2.314 599 Q HA 0.560 4.900 4.340 -0.000 0.000 0.259 599 Q C -1.231 174.630 176.000 -0.230 0.000 0.951 599 Q CA -0.528 55.163 55.803 -0.186 0.000 0.909 599 Q CB 2.102 30.730 28.738 -0.183 0.000 1.236 599 Q HN 0.479 nan 8.270 nan 0.000 0.444 600 I N 2.989 123.374 120.570 -0.309 0.000 2.336 600 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 600 I C -0.795 175.116 176.117 -0.343 0.000 0.991 600 I CA -0.514 60.667 61.300 -0.198 0.000 1.227 600 I CB 0.727 38.655 38.000 -0.120 0.000 1.366 600 I HN 0.480 nan 8.210 nan 0.000 0.466 601 F N 7.582 127.521 119.950 -0.019 0.000 2.359 601 F HA 0.352 4.879 4.527 0.000 0.000 0.369 601 F C -2.077 173.712 175.800 -0.019 0.000 1.084 601 F CA -2.332 55.657 58.000 -0.018 0.000 1.096 601 F CB 1.026 40.016 39.000 -0.017 0.000 1.335 601 F HN 0.226 nan 8.300 nan 0.000 0.457 602 P HA 0.244 nan 4.420 nan 0.000 0.281 602 P C -0.823 176.520 177.300 0.072 0.000 1.252 602 P CA -0.086 63.051 63.100 0.062 0.000 0.778 602 P CB 1.955 33.665 31.700 0.016 0.000 0.895 603 V N 0.474 120.419 119.914 0.051 0.000 3.001 603 V HA 0.489 4.609 4.120 -0.000 0.000 0.314 603 V C 0.683 176.789 176.094 0.020 0.000 1.099 603 V CA -0.581 61.740 62.300 0.036 0.000 0.989 603 V CB 2.284 34.123 31.823 0.026 0.000 1.040 603 V HN 0.458 nan 8.190 nan 0.000 0.434 604 E N 0.753 120.961 120.200 0.014 0.000 2.399 604 E HA 0.203 4.553 4.350 -0.000 0.000 0.205 604 E C 0.374 176.977 176.600 0.005 0.000 0.906 604 E CA 0.878 57.283 56.400 0.009 0.000 0.998 604 E CB 1.096 30.801 29.700 0.009 0.000 1.002 604 E HN 0.978 nan 8.360 nan 0.000 0.501 605 T N -1.901 112.653 114.554 0.000 0.000 2.901 605 T HA 0.291 4.640 4.350 -0.000 0.000 0.293 605 T C 0.688 175.380 174.700 -0.014 0.000 1.084 605 T CA -0.771 61.326 62.100 -0.005 0.000 1.008 605 T CB 1.777 70.641 68.868 -0.007 0.000 1.170 605 T HN -0.092 nan 8.240 nan 0.000 0.509 606 I N 1.516 122.076 120.570 -0.017 0.000 2.361 606 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 606 I C 2.064 178.152 176.117 -0.048 0.000 1.133 606 I CA 1.783 63.066 61.300 -0.029 0.000 1.413 606 I CB -0.501 37.484 38.000 -0.025 0.000 1.073 606 I HN 0.837 nan 8.210 nan 0.000 0.424 607 D N -0.016 120.355 120.400 -0.048 0.000 2.178 607 D HA -0.248 4.392 4.640 -0.000 0.000 0.201 607 D C 1.644 177.908 176.300 -0.060 0.000 0.980 607 D CA 1.344 55.307 54.000 -0.062 0.000 0.842 607 D CB -0.641 40.127 40.800 -0.054 0.000 0.948 607 D HN 0.541 nan 8.370 nan 0.000 0.472 608 E N 0.590 120.763 120.200 -0.045 0.000 2.106 608 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 608 E C 2.494 179.052 176.600 -0.070 0.000 0.984 608 E CA 0.600 56.972 56.400 -0.047 0.000 0.806 608 E CB 0.068 29.755 29.700 -0.021 0.000 0.750 608 E HN 0.135 nan 8.360 nan 0.000 0.458 609 V N 1.725 121.603 119.914 -0.060 0.000 2.287 609 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 609 V C 2.322 178.359 176.094 -0.095 0.000 1.053 609 V CA 1.598 63.855 62.300 -0.071 0.000 1.027 609 V CB -0.478 31.316 31.823 -0.049 0.000 0.646 609 V HN 0.254 nan 8.190 nan 0.000 0.447 610 L N 0.464 121.633 121.223 -0.090 0.000 2.083 610 L HA -0.190 4.149 4.340 -0.000 0.000 0.209 610 L C 2.687 179.493 176.870 -0.106 0.000 1.083 610 L CA 2.014 56.795 54.840 -0.099 0.000 0.752 610 L CB -0.818 41.176 42.059 -0.107 0.000 0.899 610 L HN 0.562 nan 8.230 nan 0.000 0.433 611 E N 0.547 120.684 120.200 -0.104 0.000 2.268 611 E HA -0.179 4.170 4.350 -0.000 0.000 0.195 611 E C 2.086 178.600 176.600 -0.143 0.000 0.995 611 E CA 1.088 57.425 56.400 -0.106 0.000 0.836 611 E CB -0.180 29.468 29.700 -0.086 0.000 0.763 611 E HN 0.552 nan 8.360 nan 0.000 0.491 612 I N 1.295 121.751 120.570 -0.191 0.000 2.339 612 I HA -0.073 4.097 4.170 -0.000 0.000 0.245 612 I C 2.571 178.549 176.117 -0.231 0.000 1.096 612 I CA 0.912 62.032 61.300 -0.300 0.000 1.408 612 I CB -0.138 37.589 38.000 -0.455 0.000 1.092 612 I HN 0.184 nan 8.210 nan 0.000 0.423 613 A N 0.729 123.447 122.820 -0.169 0.000 2.016 613 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 613 A C 1.227 178.753 177.584 -0.096 0.000 1.162 613 A CA 0.401 52.364 52.037 -0.123 0.000 0.662 613 A CB -0.414 18.527 19.000 -0.098 0.000 0.812 613 A HN 0.230 nan 8.150 nan 0.000 0.450 614 L N 0.986 122.153 121.223 -0.094 0.000 2.350 614 L HA 0.228 4.568 4.340 -0.000 0.000 0.275 614 L C 0.089 176.917 176.870 -0.069 0.000 1.099 614 L CA -0.726 54.068 54.840 -0.076 0.000 0.808 614 L CB 0.687 42.700 42.059 -0.075 0.000 1.149 614 L HN 0.233 nan 8.230 nan 0.000 0.442 615 E N 2.405 122.572 120.200 -0.056 0.000 2.384 615 E HA 0.028 4.378 4.350 -0.000 0.000 0.266 615 E C -0.326 176.248 176.600 -0.044 0.000 1.012 615 E CA -0.206 56.166 56.400 -0.047 0.000 0.901 615 E CB 0.790 30.468 29.700 -0.037 0.000 0.967 615 E HN 0.344 nan 8.360 nan 0.000 0.435 616 E N 1.211 121.387 120.200 -0.040 0.000 2.413 616 E HA 0.098 4.448 4.350 -0.000 0.000 0.263 616 E C -0.093 176.490 176.600 -0.028 0.000 1.015 616 E CA 0.220 56.599 56.400 -0.035 0.000 0.916 616 E CB 0.822 30.503 29.700 -0.031 0.000 0.947 616 E HN 0.584 nan 8.360 nan 0.000 0.440 617 S N 0.640 116.324 115.700 -0.026 0.000 2.645 617 S HA 0.086 4.556 4.470 -0.000 0.000 0.268 617 S C 0.575 175.164 174.600 -0.019 0.000 1.110 617 S CA -0.842 57.346 58.200 -0.020 0.000 0.823 617 S CB 1.042 64.230 63.200 -0.020 0.000 1.091 617 S HN 0.491 nan 8.310 nan 0.000 0.466 618 E N 0.792 120.984 120.200 -0.013 0.000 2.152 618 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 618 E C 1.629 178.223 176.600 -0.011 0.000 0.983 618 E CA 1.019 57.413 56.400 -0.011 0.000 0.818 618 E CB -0.137 29.559 29.700 -0.006 0.000 0.758 618 E HN 0.627 nan 8.360 nan 0.000 0.467 619 K N 1.047 121.441 120.400 -0.010 0.000 2.044 619 K HA -0.212 4.107 4.320 -0.000 0.000 0.210 619 K C 2.297 178.887 176.600 -0.017 0.000 1.049 619 K CA 1.853 58.135 56.287 -0.008 0.000 0.927 619 K CB -0.062 32.432 32.500 -0.009 0.000 0.713 619 K HN -0.074 nan 8.250 nan 0.000 0.443 620 K N 0.427 120.811 120.400 -0.027 0.000 2.097 620 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 620 K C 2.030 178.605 176.600 -0.042 0.000 1.050 620 K CA 1.131 57.394 56.287 -0.041 0.000 0.938 620 K CB 0.036 32.509 32.500 -0.045 0.000 0.718 620 K HN 0.079 nan 8.250 nan 0.000 0.442 621 R N 0.395 120.877 120.500 -0.031 0.000 2.096 621 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 621 R C 2.279 178.565 176.300 -0.024 0.000 1.127 621 R CA 1.652 57.735 56.100 -0.028 0.000 0.968 621 R CB -0.173 30.115 30.300 -0.020 0.000 0.861 621 R HN 0.262 nan 8.270 nan 0.000 0.440 622 E N 1.212 121.402 120.200 -0.016 0.000 2.072 622 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 622 E C 1.832 178.425 176.600 -0.012 0.000 0.985 622 E CA 0.811 57.208 56.400 -0.006 0.000 0.801 622 E CB -0.277 29.427 29.700 0.007 0.000 0.750 622 E HN 0.132 nan 8.360 nan 0.000 0.452 623 L N 0.549 121.754 121.223 -0.030 0.000 2.012 623 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 623 L C 2.179 178.979 176.870 -0.117 0.000 1.073 623 L CA 1.725 56.520 54.840 -0.074 0.000 0.748 623 L CB -0.808 41.191 42.059 -0.100 0.000 0.891 623 L HN 0.327 nan 8.230 nan 0.000 0.431 624 L N -0.475 120.692 121.223 -0.092 0.000 2.083 624 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 624 L C 2.855 179.689 176.870 -0.061 0.000 1.083 624 L CA 1.178 55.965 54.840 -0.089 0.000 0.752 624 L CB -0.590 41.427 42.059 -0.069 0.000 0.899 624 L HN 0.331 nan 8.230 nan 0.000 0.433 625 R N -0.098 120.380 120.500 -0.038 0.000 2.075 625 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 625 R C 2.571 178.868 176.300 -0.006 0.000 1.126 625 R CA 1.010 57.100 56.100 -0.017 0.000 0.963 625 R CB -0.062 30.234 30.300 -0.007 0.000 0.858 625 R HN 0.115 nan 8.270 nan 0.000 0.435 626 R N 1.124 121.625 120.500 0.001 0.000 2.073 626 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 626 R C 2.151 178.469 176.300 0.031 0.000 1.134 626 R CA 1.244 57.371 56.100 0.045 0.000 0.952 626 R CB -0.766 29.598 30.300 0.106 0.000 0.850 626 R HN 0.253 nan 8.270 nan 0.000 0.433 627 I N 0.740 121.272 120.570 -0.063 0.000 2.099 627 I HA -0.266 3.904 4.170 -0.000 0.000 0.239 627 I C 2.234 178.334 176.117 -0.029 0.000 1.066 627 I CA 1.375 62.619 61.300 -0.092 0.000 1.324 627 I CB -0.852 37.025 38.000 -0.205 0.000 1.037 627 I HN 0.177 nan 8.210 nan 0.000 0.401 628 R N 0.295 120.775 120.500 -0.034 0.000 2.249 628 R HA -0.195 4.144 4.340 -0.000 0.000 0.230 628 R C 1.959 178.260 176.300 0.001 0.000 1.121 628 R CA 0.869 56.959 56.100 -0.017 0.000 0.997 628 R CB -0.218 30.070 30.300 -0.020 0.000 0.867 628 R HN 0.446 nan 8.270 nan 0.000 0.465 629 E N -0.281 119.926 120.200 0.011 0.000 2.358 629 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 629 E C 0.890 177.508 176.600 0.029 0.000 1.010 629 E CA 1.277 57.690 56.400 0.021 0.000 0.856 629 E CB 0.391 30.108 29.700 0.029 0.000 0.795 629 E HN 0.358 nan 8.360 nan 0.000 0.504 630 T N -2.249 112.327 114.554 0.038 0.000 3.044 630 T HA 0.292 4.642 4.350 -0.000 0.000 0.260 630 T C 0.500 175.219 174.700 0.032 0.000 1.019 630 T CA -0.360 61.767 62.100 0.045 0.000 0.921 630 T CB 0.100 69.014 68.868 0.078 0.000 1.053 630 T HN -0.107 nan 8.240 nan 0.000 0.533 631 L N 2.292 123.527 121.223 0.020 0.000 2.334 631 L HA 0.585 4.924 4.340 -0.000 0.000 0.270 631 L C -2.007 174.869 176.870 0.010 0.000 1.018 631 L CA -2.769 52.079 54.840 0.013 0.000 0.811 631 L CB 1.177 43.238 42.059 0.003 0.000 1.271 631 L HN -0.009 nan 8.230 nan 0.000 0.443 632 P HA 0.051 nan 4.420 nan 0.000 0.269 632 P C 0.463 177.766 177.300 0.005 0.000 1.215 632 P CA -0.252 62.852 63.100 0.007 0.000 0.780 632 P CB 1.362 33.066 31.700 0.007 0.000 0.898 633 L N 0.652 121.878 121.223 0.005 0.000 2.127 633 L HA -0.068 4.272 4.340 -0.000 0.000 0.203 633 L C 1.703 178.575 176.870 0.003 0.000 1.080 633 L CA 0.799 55.641 54.840 0.003 0.000 0.768 633 L CB -0.727 41.334 42.059 0.003 0.000 0.924 633 L HN 0.605 nan 8.230 nan 0.000 0.444 634 S N 0.000 115.702 115.700 0.003 0.000 2.498 634 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 634 S CA 0.000 58.202 58.200 0.003 0.000 1.107 634 S CB 0.000 63.202 63.200 0.004 0.000 0.593 634 S HN 0.000 nan 8.310 nan 0.000 0.517