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 2vea_1_A DATA FIRST_RESID 4 DATA SEQUENCE TVQLSDQSLR QLETLAIHTA HLIQPHGLVV VLQEPDLTIS QISANCTGIL DATA SEQUENCE GRSPEDLLGR TLGEVFDSFX XXXXXXXLTA GQISSLNPSK LWARVMXXDF DATA SEQUENCE VIFDGVFHRN SDGLLVCELE PAYTSDNLPF LGFYHMANAA LNRLXXXXNL DATA SEQUENCE RDFYDVIVEE VRRMTGFDRV MLYRFDENNH GDVIAEDKRD DMEPYLGLHY DATA SEQUENCE PESDIPQPAR RLFIHNPIRV IPDVYGVAVP LTPAVNPSTN RAVDLTESIL DATA SEQUENCE RSAYHCHLTY LKNMGVGASL TISLIKDGHL WGLIACHHQT PKVIPFELRK DATA SEQUENCE ACEFFGRVVF SNISAQEDTE TFDYRVQLAE HEAVLLDKMT TAADFVEGLT DATA SEQUENCE NHPDRLLGLT GSQGAAICFG EKLILVGETP DEKAVQYLLQ WLENREVQDV DATA SEQUENCE FFTSSLSQIY PDAVNFKSVA SGLLAIPIAR HNFLLWFRPE VLQTVNWGGD DATA SEQUENCE PNHAYEATQX XXKIELHPRQ SFDLWKEIVR LQSLPWQSVE IQSALALKKA DATA SEQUENCE IVNLILRQAE EHHHHHH 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.697 174.700 -0.005 0.000 1.109 4 T CA 0.000 62.097 62.100 -0.005 0.000 1.349 4 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 5 V N 2.223 122.135 119.914 -0.003 0.000 2.427 5 V HA -0.128 3.994 4.120 0.002 0.000 0.248 5 V C 2.553 178.654 176.094 0.011 0.000 1.051 5 V CA 2.496 64.796 62.300 -0.001 0.000 1.048 5 V CB -0.476 31.347 31.823 -0.000 0.000 0.666 5 V HN 0.469 nan 8.190 nan 0.000 0.456 6 Q N -0.676 119.133 119.800 0.014 0.000 2.083 6 Q HA -0.194 4.147 4.340 0.002 0.000 0.198 6 Q C 2.233 178.252 176.000 0.030 0.000 0.969 6 Q CA 1.529 57.345 55.803 0.021 0.000 0.838 6 Q CB -0.103 28.646 28.738 0.018 0.000 0.900 6 Q HN 0.523 nan 8.270 nan 0.000 0.436 7 L N 0.397 121.638 121.223 0.030 0.000 2.046 7 L HA -0.130 4.212 4.340 0.002 0.000 0.208 7 L C 2.203 179.113 176.870 0.066 0.000 1.077 7 L CA 1.866 56.733 54.840 0.045 0.000 0.747 7 L CB -0.655 41.427 42.059 0.038 0.000 0.896 7 L HN 0.107 nan 8.230 nan 0.000 0.432 8 S N -0.535 115.190 115.700 0.042 0.000 2.370 8 S HA -0.240 4.231 4.470 0.002 0.000 0.226 8 S C 1.644 176.301 174.600 0.095 0.000 1.033 8 S CA 1.476 59.708 58.200 0.053 0.000 1.011 8 S CB -0.509 62.686 63.200 -0.008 0.000 0.852 8 S HN 0.631 nan 8.310 nan 0.000 0.457 9 D N 0.924 121.360 120.400 0.061 0.000 2.078 9 D HA -0.137 4.505 4.640 0.002 0.000 0.193 9 D C 2.082 178.417 176.300 0.059 0.000 0.990 9 D CA 1.349 55.383 54.000 0.056 0.000 0.827 9 D CB -0.262 40.560 40.800 0.038 0.000 0.975 9 D HN 0.390 nan 8.370 nan 0.000 0.451 10 Q N -0.392 119.440 119.800 0.054 0.000 2.245 10 Q HA -0.074 4.267 4.340 0.002 0.000 0.201 10 Q C 2.006 178.036 176.000 0.051 0.000 0.955 10 Q CA 1.164 56.993 55.803 0.043 0.000 0.870 10 Q CB 0.018 28.777 28.738 0.035 0.000 0.945 10 Q HN 0.371 nan 8.270 nan 0.000 0.461 11 S N -0.046 115.708 115.700 0.090 0.000 2.399 11 S HA -0.132 4.339 4.470 0.002 0.000 0.231 11 S C 1.857 176.491 174.600 0.056 0.000 1.022 11 S CA 0.706 58.972 58.200 0.110 0.000 0.983 11 S CB -0.401 62.954 63.200 0.259 0.000 0.803 11 S HN 0.388 nan 8.310 nan 0.000 0.480 12 L N 0.810 122.091 121.223 0.098 0.000 2.056 12 L HA 0.013 4.354 4.340 0.002 0.000 0.207 12 L C 3.101 179.965 176.870 -0.011 0.000 1.078 12 L CA 1.277 56.143 54.840 0.042 0.000 0.749 12 L CB -0.371 41.740 42.059 0.087 0.000 0.901 12 L HN 0.286 nan 8.230 nan 0.000 0.433 13 R N -0.523 119.980 120.500 0.003 0.000 2.148 13 R HA -0.194 4.148 4.340 0.002 0.000 0.227 13 R C 2.201 178.480 176.300 -0.034 0.000 1.103 13 R CA 1.055 57.148 56.100 -0.013 0.000 0.983 13 R CB -0.205 30.095 30.300 0.001 0.000 0.874 13 R HN 0.421 nan 8.270 nan 0.000 0.451 14 Q N 0.879 120.657 119.800 -0.036 0.000 2.123 14 Q HA -0.078 4.263 4.340 0.002 0.000 0.199 14 Q C 2.018 177.956 176.000 -0.104 0.000 0.966 14 Q CA 0.949 56.719 55.803 -0.055 0.000 0.845 14 Q CB 0.110 28.827 28.738 -0.034 0.000 0.907 14 Q HN 0.334 nan 8.270 nan 0.000 0.439 15 L N 0.784 121.931 121.223 -0.128 0.000 2.017 15 L HA -0.223 4.119 4.340 0.002 0.000 0.208 15 L C 2.428 179.204 176.870 -0.157 0.000 1.073 15 L CA 1.915 56.650 54.840 -0.174 0.000 0.745 15 L CB -0.532 41.400 42.059 -0.212 0.000 0.894 15 L HN 0.417 nan 8.230 nan 0.000 0.432 16 E N -0.607 119.521 120.200 -0.119 0.000 2.265 16 E HA -0.202 4.149 4.350 0.002 0.000 0.196 16 E C 1.464 177.996 176.600 -0.114 0.000 0.996 16 E CA 1.638 57.972 56.400 -0.110 0.000 0.832 16 E CB -0.321 29.333 29.700 -0.078 0.000 0.756 16 E HN 0.541 nan 8.360 nan 0.000 0.491 17 T N -1.472 113.017 114.554 -0.108 0.000 3.054 17 T HA 0.259 4.610 4.350 0.002 0.000 0.255 17 T C 0.753 175.386 174.700 -0.111 0.000 1.035 17 T CA -0.550 61.494 62.100 -0.093 0.000 0.941 17 T CB -0.133 68.697 68.868 -0.063 0.000 1.026 17 T HN 0.017 nan 8.240 nan 0.000 0.533 18 L N 2.035 123.159 121.223 -0.165 0.000 2.573 18 L HA 0.241 4.582 4.340 0.002 0.000 0.290 18 L C 0.758 177.532 176.870 -0.160 0.000 1.247 18 L CA -0.161 54.544 54.840 -0.225 0.000 0.876 18 L CB 0.251 42.080 42.059 -0.384 0.000 1.123 18 L HN 0.363 nan 8.230 nan 0.000 0.505 19 A N 5.429 128.178 122.820 -0.118 0.000 3.079 19 A HA 0.301 4.623 4.320 0.002 0.000 0.315 19 A C 1.020 178.604 177.584 -0.000 0.000 1.334 19 A CA -0.569 51.488 52.037 0.033 0.000 1.048 19 A CB -0.279 18.731 19.000 0.017 0.000 1.156 19 A HN 0.811 nan 8.150 nan 0.000 0.523 20 I N -1.295 119.249 120.570 -0.042 0.000 2.439 20 I HA -0.183 3.989 4.170 0.002 0.000 0.251 20 I C 1.939 178.088 176.117 0.053 0.000 1.139 20 I CA 1.850 63.111 61.300 -0.065 0.000 1.438 20 I CB -0.735 37.177 38.000 -0.147 0.000 1.085 20 I HN 0.779 nan 8.210 nan 0.000 0.427 21 H N 1.130 120.141 119.070 -0.100 0.000 2.457 21 H HA -0.056 4.499 4.556 -0.000 0.000 0.294 21 H C 1.994 177.310 175.328 -0.020 0.000 1.064 21 H CA 1.287 57.298 56.048 -0.062 0.000 1.330 21 H CB -0.674 29.044 29.762 -0.073 0.000 1.395 21 H HN 0.455 nan 8.280 nan 0.000 0.541 22 T N -1.554 112.771 114.554 -0.383 0.000 3.188 22 T HA 0.446 4.797 4.350 0.002 0.000 0.250 22 T C 0.863 175.530 174.700 -0.056 0.000 1.077 22 T CA -0.145 61.782 62.100 -0.288 0.000 0.967 22 T CB -0.252 68.417 68.868 -0.332 0.000 1.006 22 T HN 0.552 nan 8.240 nan 0.000 0.552 23 A N 2.583 125.399 122.820 -0.007 0.000 2.425 23 A HA 0.399 4.721 4.320 0.002 0.000 0.249 23 A C 0.884 178.503 177.584 0.059 0.000 1.084 23 A CA -0.558 51.504 52.037 0.042 0.000 0.781 23 A CB -0.019 19.003 19.000 0.036 0.000 1.019 23 A HN 0.760 nan 8.150 nan 0.000 0.490 24 H N 1.882 120.957 119.070 0.008 0.000 2.472 24 H HA 0.420 4.978 4.556 0.002 0.000 0.287 24 H C -1.181 174.154 175.328 0.012 0.000 1.112 24 H CA -0.485 55.564 56.048 0.001 0.000 1.021 24 H CB -0.820 28.938 29.762 -0.007 0.000 1.635 24 H HN 0.381 nan 8.280 nan 0.000 0.559 25 L N -0.503 120.632 121.223 -0.146 0.000 2.341 25 L HA 0.575 4.916 4.340 0.002 0.000 0.278 25 L C -0.743 176.109 176.870 -0.029 0.000 1.005 25 L CA -1.237 53.535 54.840 -0.114 0.000 0.818 25 L CB 1.288 43.256 42.059 -0.152 0.000 1.259 25 L HN -0.132 nan 8.230 nan 0.000 0.418 26 I N 1.284 121.845 120.570 -0.014 0.000 2.648 26 I HA 0.433 4.605 4.170 0.002 0.000 0.304 26 I C 0.375 176.494 176.117 0.005 0.000 1.009 26 I CA -0.359 60.937 61.300 -0.006 0.000 1.114 26 I CB 1.751 39.736 38.000 -0.025 0.000 1.293 26 I HN 0.658 nan 8.210 nan 0.000 0.449 27 Q N 5.830 125.641 119.800 0.019 0.000 2.364 27 Q HA 0.135 4.476 4.340 0.002 0.000 0.267 27 Q C -1.502 174.510 176.000 0.021 0.000 0.999 27 Q CA -1.267 54.581 55.803 0.075 0.000 0.886 27 Q CB 0.564 29.422 28.738 0.199 0.000 1.243 27 Q HN 0.374 nan 8.270 nan 0.000 0.415 28 P HA -0.194 nan 4.420 nan 0.000 0.222 28 P C 0.804 178.150 177.300 0.077 0.000 1.153 28 P CA 1.393 64.538 63.100 0.075 0.000 0.798 28 P CB 0.028 31.793 31.700 0.108 0.000 0.796 29 H N -0.395 118.724 119.070 0.082 0.000 2.457 29 H HA 0.152 4.710 4.556 0.002 0.000 0.294 29 H C 0.728 176.127 175.328 0.118 0.000 1.064 29 H CA 1.081 57.193 56.048 0.108 0.000 1.330 29 H CB -0.584 29.253 29.762 0.126 0.000 1.395 29 H HN 0.026 nan 8.280 nan 0.000 0.541 30 G N 0.430 108.934 108.800 -0.492 0.000 2.630 30 G HA2 0.531 4.493 3.960 0.002 0.000 0.296 30 G HA3 0.531 4.493 3.960 0.002 0.000 0.296 30 G C -1.197 173.551 174.900 -0.252 0.000 1.285 30 G CA -0.916 43.992 45.100 -0.321 0.000 0.958 30 G HN 0.171 nan 8.290 nan 0.000 0.479 31 L N 0.185 121.232 121.223 -0.294 0.000 2.322 31 L HA 0.636 4.977 4.340 0.002 0.000 0.279 31 L C -0.429 176.283 176.870 -0.263 0.000 1.036 31 L CA -1.038 53.637 54.840 -0.274 0.000 0.807 31 L CB 1.982 43.819 42.059 -0.368 0.000 1.226 31 L HN 0.130 nan 8.230 nan 0.000 0.433 32 V N 3.009 122.817 119.914 -0.177 0.000 2.540 32 V HA 0.613 4.735 4.120 0.002 0.000 0.302 32 V C -0.297 175.723 176.094 -0.123 0.000 1.035 32 V CA -0.674 61.535 62.300 -0.151 0.000 0.873 32 V CB 2.173 33.942 31.823 -0.090 0.000 0.992 32 V HN 0.541 nan 8.190 nan 0.000 0.428 33 V N 2.778 122.608 119.914 -0.140 0.000 2.925 33 V HA 0.866 4.987 4.120 0.002 0.000 0.311 33 V C -0.932 175.107 176.094 -0.090 0.000 1.104 33 V CA -0.881 61.363 62.300 -0.093 0.000 0.954 33 V CB 2.031 33.809 31.823 -0.074 0.000 1.022 33 V HN 0.749 nan 8.190 nan 0.000 0.427 34 V N 5.507 125.386 119.914 -0.057 0.000 2.409 34 V HA 0.591 4.713 4.120 0.002 0.000 0.291 34 V C -0.999 175.076 176.094 -0.030 0.000 1.020 34 V CA -0.542 61.725 62.300 -0.055 0.000 0.848 34 V CB 1.369 33.161 31.823 -0.051 0.000 0.990 34 V HN 0.850 nan 8.190 nan 0.000 0.430 35 L N 6.495 127.707 121.223 -0.018 0.000 2.265 35 L HA 0.503 4.844 4.340 0.002 0.000 0.289 35 L C 0.294 177.161 176.870 -0.004 0.000 1.033 35 L CA 0.236 55.078 54.840 0.004 0.000 0.814 35 L CB 1.212 43.296 42.059 0.040 0.000 1.203 35 L HN 0.748 nan 8.230 nan 0.000 0.423 36 Q N 2.888 122.684 119.800 -0.007 0.000 2.354 36 Q HA 0.542 4.883 4.340 0.002 0.000 0.244 36 Q C -0.292 175.703 176.000 -0.008 0.000 0.969 36 Q CA 0.292 56.089 55.803 -0.010 0.000 0.885 36 Q CB 1.516 30.247 28.738 -0.011 0.000 1.241 36 Q HN 0.847 nan 8.270 nan 0.000 0.461 37 E N 2.187 122.381 120.200 -0.011 0.000 2.439 37 E HA 0.445 4.796 4.350 0.002 0.000 0.279 37 E C -2.710 173.881 176.600 -0.014 0.000 1.077 37 E CA -1.125 55.267 56.400 -0.013 0.000 0.849 37 E CB 0.256 29.946 29.700 -0.017 0.000 1.408 37 E HN 0.681 nan 8.360 nan 0.000 0.457 38 P HA 0.477 nan 4.420 nan 0.000 0.270 38 P C -0.806 176.484 177.300 -0.015 0.000 1.242 38 P CA 0.534 63.623 63.100 -0.018 0.000 0.768 38 P CB 1.049 32.739 31.700 -0.017 0.000 0.820 39 D N 1.037 121.428 120.400 -0.015 0.000 2.854 39 D HA -0.088 4.553 4.640 0.002 0.000 0.696 39 D C 0.595 176.891 176.300 -0.007 0.000 0.361 39 D CA -0.110 53.883 54.000 -0.011 0.000 1.171 39 D CB -0.337 40.457 40.800 -0.009 0.000 1.222 39 D HN 0.332 nan 8.370 nan 0.000 0.304 40 L N 1.793 123.014 121.223 -0.004 0.000 3.608 40 L HA -0.153 4.188 4.340 0.002 0.000 0.422 40 L C -0.361 176.519 176.870 0.017 0.000 1.260 40 L CA 0.607 55.454 54.840 0.011 0.000 0.889 40 L CB -2.461 39.608 42.059 0.017 0.000 1.821 40 L HN 0.075 nan 8.230 nan 0.000 0.884 41 T N 0.873 115.431 114.554 0.007 0.000 2.918 41 T HA 0.458 4.810 4.350 0.002 0.000 0.302 41 T C 0.709 175.413 174.700 0.007 0.000 1.045 41 T CA -0.258 61.844 62.100 0.005 0.000 1.114 41 T CB 1.518 70.384 68.868 -0.003 0.000 0.965 41 T HN 0.193 nan 8.240 nan 0.000 0.540 42 I N 2.972 123.546 120.570 0.006 0.000 2.291 42 I HA 0.105 4.276 4.170 0.002 0.000 0.292 42 I C 1.580 177.693 176.117 -0.006 0.000 1.064 42 I CA -0.291 61.012 61.300 0.004 0.000 1.269 42 I CB 0.947 38.953 38.000 0.011 0.000 1.418 42 I HN 0.790 nan 8.210 nan 0.000 0.485 43 S N 5.086 120.779 115.700 -0.011 0.000 2.371 43 S HA 0.040 4.511 4.470 0.002 0.000 0.221 43 S C 0.651 175.241 174.600 -0.017 0.000 1.036 43 S CA 0.237 58.428 58.200 -0.015 0.000 0.965 43 S CB 0.026 63.215 63.200 -0.018 0.000 0.845 43 S HN 0.694 nan 8.310 nan 0.000 0.475 44 Q N -0.131 119.658 119.800 -0.019 0.000 2.433 44 Q HA 0.813 5.154 4.340 0.002 0.000 0.279 44 Q C -1.350 174.639 176.000 -0.018 0.000 1.105 44 Q CA -0.698 55.094 55.803 -0.018 0.000 0.815 44 Q CB 2.652 31.378 28.738 -0.019 0.000 1.403 44 Q HN 0.477 nan 8.270 nan 0.000 0.435 45 I N 0.143 120.704 120.570 -0.014 0.000 2.842 45 I HA 0.302 4.474 4.170 0.002 0.000 0.297 45 I C -1.028 175.082 176.117 -0.011 0.000 1.380 45 I CA -0.606 60.683 61.300 -0.018 0.000 1.018 45 I CB 2.342 40.334 38.000 -0.012 0.000 1.311 45 I HN 0.887 nan 8.210 nan 0.000 0.439 46 S N 4.955 120.641 115.700 -0.023 0.000 2.562 46 S HA 0.343 4.814 4.470 0.002 0.000 0.281 46 S C 1.013 175.610 174.600 -0.005 0.000 1.333 46 S CA 0.038 58.229 58.200 -0.014 0.000 1.052 46 S CB 1.614 64.793 63.200 -0.037 0.000 0.884 46 S HN 0.821 nan 8.310 nan 0.000 0.506 47 A N 2.421 125.245 122.820 0.008 0.000 2.119 47 A HA -0.087 4.235 4.320 0.002 0.000 0.217 47 A C 2.011 179.603 177.584 0.013 0.000 1.153 47 A CA 1.034 53.079 52.037 0.012 0.000 0.692 47 A CB -0.895 18.117 19.000 0.021 0.000 0.799 47 A HN 0.968 nan 8.150 nan 0.000 0.458 48 N N 0.759 119.465 118.700 0.010 0.000 2.520 48 N HA -0.167 4.574 4.740 0.002 0.000 0.185 48 N C 1.577 177.104 175.510 0.028 0.000 1.068 48 N CA 1.578 54.641 53.050 0.021 0.000 0.911 48 N CB -1.825 36.673 38.487 0.019 0.000 0.961 48 N HN 0.700 nan 8.380 nan 0.000 0.446 49 C N -0.741 118.569 119.300 0.017 0.000 2.403 49 C HA -0.087 4.375 4.460 0.002 0.000 0.277 49 C C 2.492 177.502 174.990 0.033 0.000 1.248 49 C CA 1.035 60.069 59.018 0.027 0.000 1.762 49 C CB -1.729 26.017 27.740 0.009 0.000 2.014 49 C HN 0.412 nan 8.230 nan 0.000 0.486 50 T N 1.394 115.961 114.554 0.023 0.000 2.624 50 T HA -0.060 4.291 4.350 0.002 0.000 0.268 50 T C 2.016 176.736 174.700 0.033 0.000 1.041 50 T CA 2.489 64.602 62.100 0.022 0.000 1.159 50 T CB -1.025 67.854 68.868 0.019 0.000 0.863 50 T HN 0.795 nan 8.240 nan 0.000 0.434 51 G N 0.774 109.598 108.800 0.041 0.000 2.534 51 G HA2 0.070 4.032 3.960 0.002 0.000 0.217 51 G HA3 0.070 4.032 3.960 0.002 0.000 0.217 51 G C 1.465 176.403 174.900 0.063 0.000 1.128 51 G CA 0.788 45.917 45.100 0.048 0.000 0.784 51 G HN 0.698 nan 8.290 nan 0.000 0.542 52 I N -4.087 116.532 120.570 0.082 0.000 4.338 52 I HA 0.369 4.540 4.170 0.002 0.000 0.315 52 I C 2.063 178.259 176.117 0.132 0.000 1.262 52 I CA 0.057 61.426 61.300 0.116 0.000 1.298 52 I CB -0.033 38.072 38.000 0.175 0.000 1.257 52 I HN -0.042 nan 8.210 nan 0.000 0.444 53 L N 1.610 122.903 121.223 0.117 0.000 2.168 53 L HA 0.379 4.720 4.340 0.002 0.000 0.203 53 L C 1.970 178.862 176.870 0.036 0.000 1.078 53 L CA 1.446 56.336 54.840 0.084 0.000 0.780 53 L CB -0.439 41.641 42.059 0.036 0.000 0.939 53 L HN 0.612 nan 8.230 nan 0.000 0.451 54 G N 0.559 109.376 108.800 0.027 0.000 2.279 54 G HA2 -0.260 3.701 3.960 0.002 0.000 0.223 54 G HA3 -0.260 3.701 3.960 0.002 0.000 0.223 54 G C 0.386 175.286 174.900 -0.001 0.000 1.015 54 G CA 0.073 45.182 45.100 0.015 0.000 0.621 54 G HN 0.427 nan 8.290 nan 0.000 0.506 55 R N 1.033 121.522 120.500 -0.017 0.000 2.255 55 R HA 0.705 5.047 4.340 0.002 0.000 0.326 55 R C 0.500 176.785 176.300 -0.026 0.000 0.986 55 R CA 0.104 56.186 56.100 -0.030 0.000 0.847 55 R CB 1.633 31.898 30.300 -0.059 0.000 1.111 55 R HN 0.491 nan 8.270 nan 0.000 0.452 56 S N 2.012 117.702 115.700 -0.017 0.000 2.719 56 S HA 0.385 4.856 4.470 0.002 0.000 0.285 56 S C -1.837 172.754 174.600 -0.015 0.000 1.137 56 S CA -1.500 56.694 58.200 -0.010 0.000 1.012 56 S CB 1.079 64.278 63.200 -0.003 0.000 1.134 56 S HN 0.401 nan 8.310 nan 0.000 0.544 57 P HA 0.147 nan 4.420 nan 0.000 0.242 57 P C 1.075 178.368 177.300 -0.011 0.000 1.198 57 P CA 1.396 64.490 63.100 -0.010 0.000 0.756 57 P CB -0.631 31.066 31.700 -0.005 0.000 0.911 58 E N 0.423 120.616 120.200 -0.011 0.000 2.021 58 E HA -0.147 4.204 4.350 0.002 0.000 0.191 58 E C 1.639 178.228 176.600 -0.017 0.000 0.971 58 E CA 1.336 57.729 56.400 -0.012 0.000 0.825 58 E CB -1.549 28.145 29.700 -0.009 0.000 0.788 58 E HN 0.149 nan 8.360 nan 0.000 0.460 59 D N 0.197 120.584 120.400 -0.021 0.000 2.149 59 D HA -0.022 4.619 4.640 0.002 0.000 0.198 59 D C 1.777 178.056 176.300 -0.036 0.000 0.990 59 D CA 0.782 54.765 54.000 -0.029 0.000 0.839 59 D CB -0.135 40.645 40.800 -0.033 0.000 0.948 59 D HN 0.426 nan 8.370 nan 0.000 0.460 60 L N -0.591 120.609 121.223 -0.038 0.000 2.539 60 L HA 0.126 4.467 4.340 0.002 0.000 0.160 60 L C 1.593 178.447 176.870 -0.027 0.000 1.447 60 L CA -0.531 54.284 54.840 -0.042 0.000 3.093 60 L CB -0.559 41.473 42.059 -0.045 0.000 2.998 60 L HN -0.009 nan 8.230 nan 0.000 1.023 61 L N -0.558 120.653 121.223 -0.019 0.000 5.704 61 L HA -0.321 4.020 4.340 0.002 0.000 0.053 61 L C 1.237 178.099 176.870 -0.013 0.000 2.571 61 L CA 1.050 55.881 54.840 -0.014 0.000 1.641 61 L CB -1.728 40.323 42.059 -0.014 0.000 2.792 61 L HN 0.762 nan 8.230 nan 0.000 0.961 62 G N -0.515 108.277 108.800 -0.013 0.000 3.337 62 G HA2 0.102 4.064 3.960 0.002 0.000 0.226 62 G HA3 0.102 4.064 3.960 0.002 0.000 0.226 62 G C 0.927 175.820 174.900 -0.013 0.000 1.295 62 G CA 0.510 45.603 45.100 -0.011 0.000 1.427 62 G HN 0.390 nan 8.290 nan 0.000 0.535 63 R N 0.652 121.142 120.500 -0.016 0.000 2.334 63 R HA 0.194 4.535 4.340 0.002 0.000 0.216 63 R C 1.046 177.336 176.300 -0.015 0.000 0.905 63 R CA 0.814 56.901 56.100 -0.021 0.000 1.064 63 R CB -0.249 30.030 30.300 -0.036 0.000 1.046 63 R HN 0.479 nan 8.270 nan 0.000 0.508 64 T N -3.958 110.595 114.554 -0.002 0.000 0.541 64 T HA -0.222 4.129 4.350 0.002 0.000 0.774 64 T C 0.448 175.171 174.700 0.038 0.000 0.992 64 T CA 0.301 62.410 62.100 0.014 0.000 4.077 64 T CB -0.755 68.117 68.868 0.006 0.000 2.303 64 T HN 0.073 nan 8.240 nan 0.000 0.398 65 L N 3.478 124.744 121.223 0.073 0.000 2.141 65 L HA 0.235 4.577 4.340 0.002 0.000 0.209 65 L C 2.866 179.795 176.870 0.098 0.000 1.094 65 L CA 2.920 57.847 54.840 0.144 0.000 0.763 65 L CB -1.233 40.905 42.059 0.132 0.000 0.908 65 L HN 1.122 nan 8.230 nan 0.000 0.437 66 G N -0.727 108.095 108.800 0.036 0.000 2.833 66 G HA2 -0.314 3.648 3.960 0.002 0.000 0.226 66 G HA3 -0.314 3.648 3.960 0.002 0.000 0.226 66 G C 0.837 175.729 174.900 -0.013 0.000 1.228 66 G CA 1.144 46.245 45.100 0.003 0.000 0.779 66 G HN 0.394 nan 8.290 nan 0.000 0.651 67 E N -0.523 119.662 120.200 -0.025 0.000 3.898 67 E HA 0.332 4.684 4.350 0.002 0.000 0.219 67 E C 0.734 177.279 176.600 -0.092 0.000 1.207 67 E CA -0.281 56.088 56.400 -0.052 0.000 1.240 67 E CB 0.901 30.575 29.700 -0.042 0.000 1.239 67 E HN 0.176 nan 8.360 nan 0.000 0.422 68 V N -0.245 119.586 119.914 -0.139 0.000 2.795 68 V HA 0.314 4.436 4.120 0.002 0.000 0.243 68 V C 0.054 175.826 176.094 -0.537 0.000 1.069 68 V CA 0.867 62.955 62.300 -0.353 0.000 1.089 68 V CB 0.276 31.819 31.823 -0.467 0.000 0.756 68 V HN 0.110 nan 8.190 nan 0.000 0.471 69 F N 0.470 120.367 119.950 -0.090 0.000 2.541 69 F HA 0.649 5.177 4.527 0.002 0.000 0.331 69 F C 0.086 175.713 175.800 -0.288 0.000 1.057 69 F CA -0.999 56.908 58.000 -0.155 0.000 0.975 69 F CB 1.035 39.947 39.000 -0.147 0.000 1.246 69 F HN -0.036 nan 8.300 nan 0.000 0.484 70 D N -0.202 119.977 120.400 -0.368 0.000 2.350 70 D HA 0.638 5.280 4.640 0.002 0.000 0.238 70 D C -0.831 174.658 176.300 -1.352 0.000 0.989 70 D CA -0.006 53.523 54.000 -0.786 0.000 0.921 70 D CB 2.225 42.517 40.800 -0.847 0.000 1.297 70 D HN 0.609 nan 8.370 nan 0.000 0.490 71 S N -0.472 114.534 115.700 -1.156 0.000 2.683 71 S HA 0.596 5.067 4.470 0.002 0.000 0.269 71 S C -1.447 172.796 174.600 -0.596 0.000 1.165 71 S CA -0.764 56.822 58.200 -1.023 0.000 0.840 71 S CB 0.760 63.711 63.200 -0.415 0.000 1.169 71 S HN 0.226 nan 8.310 nan 0.000 0.490 82 T N -2.282 112.238 114.554 -0.057 0.000 0.542 82 T HA 0.185 4.537 4.350 0.002 0.000 0.774 82 T C 0.438 175.112 174.700 -0.042 0.000 0.992 82 T CA 1.440 63.502 62.100 -0.064 0.000 4.077 82 T CB -1.488 67.315 68.868 -0.109 0.000 2.303 82 T HN 2.042 nan 8.240 nan 0.000 0.398 83 A N 0.014 122.811 122.820 -0.038 0.000 1.790 83 A HA 0.825 5.146 4.320 0.002 0.000 0.156 83 A C 1.718 179.297 177.584 -0.009 0.000 1.550 83 A CA 0.529 52.555 52.037 -0.019 0.000 2.855 83 A CB -0.771 18.221 19.000 -0.014 0.000 3.052 83 A HN 2.264 nan 8.150 nan 0.000 1.297 84 G N 0.105 108.903 108.800 -0.002 0.000 2.985 84 G HA2 0.269 4.230 3.960 0.002 0.000 0.209 84 G HA3 0.269 4.230 3.960 0.002 0.000 0.209 84 G C 0.845 175.747 174.900 0.005 0.000 1.165 84 G CA 0.797 45.903 45.100 0.009 0.000 0.776 84 G HN 0.533 nan 8.290 nan 0.000 0.541 85 Q N -0.237 119.553 119.800 -0.017 0.000 2.436 85 Q HA 0.115 4.456 4.340 0.002 0.000 0.209 85 Q C 2.141 178.115 176.000 -0.044 0.000 0.965 85 Q CA 0.177 55.962 55.803 -0.031 0.000 0.910 85 Q CB -0.062 28.644 28.738 -0.054 0.000 0.980 85 Q HN 0.545 nan 8.270 nan 0.000 0.491 86 I N 0.102 120.651 120.570 -0.035 0.000 2.194 86 I HA -0.332 3.840 4.170 0.002 0.000 0.246 86 I C 2.510 178.654 176.117 0.045 0.000 1.093 86 I CA 0.989 62.280 61.300 -0.015 0.000 1.355 86 I CB -0.372 37.657 38.000 0.049 0.000 1.046 86 I HN 0.184 nan 8.210 nan 0.000 0.413 87 S N 0.632 116.367 115.700 0.058 0.000 2.365 87 S HA -0.228 4.243 4.470 0.002 0.000 0.225 87 S C 2.251 176.898 174.600 0.078 0.000 1.039 87 S CA 2.182 60.432 58.200 0.084 0.000 1.033 87 S CB -0.313 62.932 63.200 0.075 0.000 0.887 87 S HN 0.642 nan 8.310 nan 0.000 0.447 88 S N 1.081 116.808 115.700 0.045 0.000 2.428 88 S HA 0.111 4.582 4.470 0.002 0.000 0.230 88 S C 1.776 176.400 174.600 0.039 0.000 1.014 88 S CA 0.771 58.996 58.200 0.042 0.000 0.957 88 S CB -0.622 62.591 63.200 0.021 0.000 0.784 88 S HN 0.554 nan 8.310 nan 0.000 0.499 89 L N 0.920 122.151 121.223 0.012 0.000 2.478 89 L HA 0.167 4.508 4.340 0.002 0.000 0.223 89 L C -0.107 176.823 176.870 0.101 0.000 1.140 89 L CA 0.170 55.017 54.840 0.011 0.000 0.842 89 L CB -0.548 41.414 42.059 -0.162 0.000 0.953 89 L HN 0.243 nan 8.230 nan 0.000 0.452 90 N N 1.296 120.054 118.700 0.097 0.000 2.439 90 N HA 0.292 5.034 4.740 0.002 0.000 0.249 90 N C -2.280 173.259 175.510 0.048 0.000 1.003 90 N CA -1.225 51.851 53.050 0.044 0.000 0.942 90 N CB 1.021 39.560 38.487 0.087 0.000 1.115 90 N HN -0.005 nan 8.380 nan 0.000 0.505 91 P HA 0.416 nan 4.420 nan 0.000 0.283 91 P C -0.952 176.356 177.300 0.015 0.000 1.271 91 P CA -0.572 62.419 63.100 -0.181 0.000 0.841 91 P CB 1.149 32.641 31.700 -0.346 0.000 1.122 92 S N -0.439 115.287 115.700 0.043 0.000 2.541 92 S HA 0.448 4.919 4.470 0.002 0.000 0.280 92 S C -0.446 174.222 174.600 0.113 0.000 1.112 92 S CA -1.017 57.252 58.200 0.114 0.000 0.925 92 S CB 1.331 64.619 63.200 0.146 0.000 1.067 92 S HN 0.171 nan 8.310 nan 0.000 0.479 93 K N 2.021 122.538 120.400 0.194 0.000 2.378 93 K HA 0.356 4.678 4.320 0.002 0.000 0.288 93 K C -1.080 175.632 176.600 0.187 0.000 1.057 93 K CA -0.093 56.349 56.287 0.258 0.000 0.971 93 K CB 0.166 32.928 32.500 0.438 0.000 0.975 93 K HN 0.557 nan 8.250 nan 0.000 0.475 94 L N 4.200 125.493 121.223 0.117 0.000 2.346 94 L HA 0.547 4.888 4.340 0.002 0.000 0.276 94 L C -0.721 176.286 176.870 0.228 0.000 1.006 94 L CA -0.510 54.309 54.840 -0.035 0.000 0.817 94 L CB 0.983 42.896 42.059 -0.245 0.000 1.272 94 L HN 0.609 nan 8.230 nan 0.000 0.421 95 W N 2.709 124.104 121.300 0.158 0.000 3.031 95 W HA 0.952 5.614 4.660 0.003 0.000 0.337 95 W C -1.328 175.339 176.519 0.246 0.000 1.187 95 W CA -1.305 56.100 57.345 0.100 0.000 1.166 95 W CB 1.379 30.769 29.460 -0.116 0.000 1.437 95 W HN 0.692 nan 8.180 nan 0.000 0.551 96 A N 2.223 125.285 122.820 0.403 0.000 2.475 96 A HA 0.872 5.194 4.320 0.002 0.000 0.301 96 A C -1.408 176.368 177.584 0.320 0.000 1.059 96 A CA -1.329 50.870 52.037 0.271 0.000 0.710 96 A CB 1.774 20.814 19.000 0.067 0.000 1.288 96 A HN 0.750 nan 8.150 nan 0.000 0.408 97 R N 0.574 121.252 120.500 0.296 0.000 2.310 97 R HA 0.604 4.945 4.340 0.002 0.000 0.324 97 R C -1.607 174.770 176.300 0.130 0.000 0.955 97 R CA -0.203 56.060 56.100 0.272 0.000 0.830 97 R CB 1.653 32.100 30.300 0.246 0.000 1.154 97 R HN 0.450 nan 8.270 nan 0.000 0.458 98 V N 5.444 125.423 119.914 0.107 0.000 2.509 98 V HA 0.258 4.379 4.120 0.002 0.000 0.289 98 V C -0.309 175.818 176.094 0.055 0.000 1.026 98 V CA -0.885 61.450 62.300 0.057 0.000 0.872 98 V CB 1.376 33.219 31.823 0.034 0.000 1.017 98 V HN 0.729 nan 8.190 nan 0.000 0.436 103 F N 4.289 124.237 119.950 -0.003 0.000 2.347 103 F HA 0.604 5.133 4.527 0.003 0.000 0.366 103 F C -1.232 174.544 175.800 -0.039 0.000 1.107 103 F CA -0.543 57.455 58.000 -0.003 0.000 1.058 103 F CB 0.788 39.772 39.000 -0.027 0.000 1.236 103 F HN 0.108 nan 8.300 nan 0.000 0.456 104 V N 7.240 126.916 119.914 -0.396 0.000 2.483 104 V HA 0.479 4.600 4.120 0.002 0.000 0.295 104 V C -0.379 175.264 176.094 -0.752 0.000 1.035 104 V CA -0.720 61.251 62.300 -0.549 0.000 0.896 104 V CB 1.678 33.262 31.823 -0.399 0.000 0.986 104 V HN 0.481 nan 8.190 nan 0.000 0.447 105 I N 4.943 125.029 120.570 -0.806 0.000 2.418 105 I HA 0.550 4.721 4.170 0.002 0.000 0.287 105 I C -0.612 175.157 176.117 -0.579 0.000 1.008 105 I CA 0.101 61.075 61.300 -0.544 0.000 1.104 105 I CB 1.254 39.008 38.000 -0.411 0.000 1.264 105 I HN 0.335 nan 8.210 nan 0.000 0.438 106 F N 3.026 122.938 119.950 -0.064 0.000 2.523 106 F HA 0.509 5.038 4.527 0.003 0.000 0.329 106 F C 0.339 176.091 175.800 -0.080 0.000 1.061 106 F CA -0.749 57.185 58.000 -0.110 0.000 0.967 106 F CB 1.207 40.101 39.000 -0.177 0.000 1.218 106 F HN 0.311 nan 8.300 nan 0.000 0.480 107 D N 1.023 121.493 120.400 0.116 0.000 2.441 107 D HA 0.317 4.958 4.640 0.002 0.000 0.231 107 D C -0.014 176.234 176.300 -0.088 0.000 1.073 107 D CA -0.031 53.983 54.000 0.025 0.000 0.850 107 D CB 1.638 42.456 40.800 0.031 0.000 1.062 107 D HN 0.698 nan 8.370 nan 0.000 0.524 108 G N 0.877 109.585 108.800 -0.153 0.000 2.377 108 G HA2 0.486 4.447 3.960 0.002 0.000 0.299 108 G HA3 0.486 4.447 3.960 0.002 0.000 0.299 108 G C -0.371 174.316 174.900 -0.354 0.000 1.150 108 G CA -0.319 44.580 45.100 -0.335 0.000 0.847 108 G HN 0.290 nan 8.290 nan 0.000 0.501 109 V N 2.233 121.877 119.914 -0.449 0.000 2.525 109 V HA 0.406 4.527 4.120 0.002 0.000 0.299 109 V C -0.863 175.057 176.094 -0.289 0.000 1.034 109 V CA -0.648 61.464 62.300 -0.315 0.000 0.863 109 V CB 1.133 32.764 31.823 -0.320 0.000 0.999 109 V HN 0.613 nan 8.190 nan 0.000 0.423 110 F N 4.870 124.794 119.950 -0.044 0.000 2.397 110 F HA 0.711 5.239 4.527 0.001 0.000 0.331 110 F C 0.591 176.454 175.800 0.106 0.000 1.090 110 F CA -0.152 57.845 58.000 -0.005 0.000 1.065 110 F CB 1.204 40.180 39.000 -0.040 0.000 1.184 110 F HN 0.701 nan 8.300 nan 0.000 0.499 111 H N 0.747 119.901 119.070 0.141 0.000 3.014 111 H HA 0.498 5.055 4.556 0.001 0.000 0.337 111 H C -1.782 173.594 175.328 0.079 0.000 1.320 111 H CA -1.281 54.827 56.048 0.100 0.000 1.128 111 H CB 1.540 31.344 29.762 0.071 0.000 1.862 111 H HN 0.689 nan 8.280 nan 0.000 0.536 112 R N 1.778 122.297 120.500 0.032 0.000 2.514 112 R HA 0.320 4.661 4.340 0.002 0.000 0.301 112 R C -0.392 175.948 176.300 0.067 0.000 0.962 112 R CA -0.605 55.472 56.100 -0.038 0.000 0.882 112 R CB 1.359 31.667 30.300 0.013 0.000 1.143 112 R HN 0.761 nan 8.270 nan 0.000 0.452 113 N N -0.255 118.450 118.700 0.008 0.000 2.260 113 N HA -0.085 4.656 4.740 0.002 0.000 0.230 113 N C 1.056 176.614 175.510 0.079 0.000 1.323 113 N CA 0.217 53.321 53.050 0.090 0.000 0.897 113 N CB 0.614 39.128 38.487 0.045 0.000 1.146 113 N HN 0.620 nan 8.380 nan 0.000 0.460 114 S N -0.200 115.553 115.700 0.088 0.000 2.423 114 S HA -0.105 4.366 4.470 0.002 0.000 0.231 114 S C 0.791 175.417 174.600 0.044 0.000 1.014 114 S CA 0.906 59.144 58.200 0.063 0.000 0.965 114 S CB -0.023 63.228 63.200 0.085 0.000 0.785 114 S HN 0.503 nan 8.310 nan 0.000 0.495 115 D N 1.901 122.325 120.400 0.040 0.000 2.224 115 D HA 0.152 4.794 4.640 0.002 0.000 0.205 115 D C 1.303 177.609 176.300 0.011 0.000 0.965 115 D CA 1.142 55.154 54.000 0.021 0.000 0.852 115 D CB -0.519 40.288 40.800 0.013 0.000 0.947 115 D HN 0.651 nan 8.370 nan 0.000 0.494 116 G N 0.984 109.790 108.800 0.010 0.000 2.600 116 G HA2 -0.113 3.849 3.960 0.002 0.000 0.251 116 G HA3 -0.113 3.849 3.960 0.002 0.000 0.251 116 G C -0.283 174.609 174.900 -0.012 0.000 1.142 116 G CA 0.049 45.151 45.100 0.002 0.000 0.994 116 G HN 0.225 nan 8.290 nan 0.000 0.511 117 L N -1.737 119.470 121.223 -0.027 0.000 2.466 117 L HA 0.856 5.197 4.340 0.002 0.000 0.258 117 L C -0.340 176.481 176.870 -0.081 0.000 0.973 117 L CA -1.621 53.194 54.840 -0.042 0.000 0.826 117 L CB 1.431 43.468 42.059 -0.036 0.000 1.372 117 L HN 0.178 nan 8.230 nan 0.000 0.409 118 L N 2.533 123.718 121.223 -0.064 0.000 2.369 118 L HA 0.442 4.783 4.340 0.002 0.000 0.279 118 L C -0.356 176.447 176.870 -0.111 0.000 1.108 118 L CA 0.297 55.097 54.840 -0.066 0.000 0.852 118 L CB 0.997 43.062 42.059 0.010 0.000 1.169 118 L HN 0.473 nan 8.230 nan 0.000 0.452 119 V N 4.993 124.754 119.914 -0.255 0.000 2.435 119 V HA 0.360 4.481 4.120 0.002 0.000 0.290 119 V C -0.212 175.747 176.094 -0.225 0.000 1.030 119 V CA -0.677 61.467 62.300 -0.259 0.000 0.881 119 V CB 1.462 33.068 31.823 -0.361 0.000 0.983 119 V HN 0.906 nan 8.190 nan 0.000 0.445 120 C N 5.103 124.251 119.300 -0.254 0.000 2.345 120 C HA 0.620 5.081 4.460 0.002 0.000 0.323 120 C C -0.125 174.610 174.990 -0.425 0.000 1.276 120 C CA -0.345 58.354 59.018 -0.531 0.000 1.543 120 C CB 0.257 27.584 27.740 -0.689 0.000 2.211 120 C HN 0.983 nan 8.230 nan 0.000 0.493 121 E N 5.773 125.716 120.200 -0.427 0.000 2.186 121 E HA 0.325 4.676 4.350 0.002 0.000 0.255 121 E C -1.039 175.349 176.600 -0.354 0.000 0.881 121 E CA -0.222 55.998 56.400 -0.299 0.000 0.752 121 E CB 1.261 30.875 29.700 -0.144 0.000 1.176 121 E HN 0.664 nan 8.360 nan 0.000 0.421 122 L N 3.437 124.403 121.223 -0.427 0.000 2.268 122 L HA 0.292 4.634 4.340 0.002 0.000 0.289 122 L C 0.328 177.047 176.870 -0.251 0.000 1.064 122 L CA -0.175 54.377 54.840 -0.481 0.000 0.824 122 L CB 0.248 41.722 42.059 -0.974 0.000 1.202 122 L HN 0.373 nan 8.230 nan 0.000 0.433 123 E N 5.327 125.511 120.200 -0.026 0.000 2.216 123 E HA 0.299 4.650 4.350 0.002 0.000 0.279 123 E C -2.296 174.466 176.600 0.271 0.000 0.997 123 E CA -2.039 54.438 56.400 0.128 0.000 0.817 123 E CB 1.255 31.041 29.700 0.142 0.000 1.096 123 E HN 0.311 nan 8.360 nan 0.000 0.393 124 P HA -0.015 nan 4.420 nan 0.000 0.267 124 P C -1.062 176.027 177.300 -0.351 0.000 1.209 124 P CA 0.046 63.074 63.100 -0.119 0.000 0.763 124 P CB 0.576 32.140 31.700 -0.227 0.000 0.816 125 A N 4.007 126.623 122.820 -0.340 0.000 2.309 125 A HA 0.312 4.633 4.320 0.002 0.000 0.290 125 A C 0.084 177.448 177.584 -0.366 0.000 1.206 125 A CA -0.274 51.627 52.037 -0.227 0.000 0.850 125 A CB -0.228 18.723 19.000 -0.082 0.000 1.118 125 A HN 0.519 nan 8.150 nan 0.000 0.523 126 Y N 1.316 121.629 120.300 0.022 0.000 2.522 126 Y HA 0.033 4.584 4.550 0.002 0.000 0.277 126 Y C 2.011 177.924 175.900 0.022 0.000 1.104 126 Y CA 1.030 59.136 58.100 0.011 0.000 1.260 126 Y CB 0.022 38.491 38.460 0.015 0.000 1.151 126 Y HN 0.650 nan 8.280 nan 0.000 0.539 127 T N -1.697 112.971 114.554 0.190 0.000 3.842 127 T HA 0.126 4.477 4.350 0.002 0.000 0.267 127 T C 0.912 175.667 174.700 0.093 0.000 1.173 127 T CA 0.024 62.208 62.100 0.141 0.000 1.142 127 T CB 0.224 69.190 68.868 0.162 0.000 1.191 127 T HN 0.085 nan 8.240 nan 0.000 0.895 128 S N 2.167 117.909 115.700 0.070 0.000 2.458 128 S HA 0.074 4.545 4.470 0.002 0.000 0.223 128 S C 0.359 174.983 174.600 0.040 0.000 1.019 128 S CA 0.062 58.291 58.200 0.048 0.000 0.937 128 S CB -0.076 63.145 63.200 0.035 0.000 0.788 128 S HN 0.948 nan 8.310 nan 0.000 0.511 129 D N 0.687 121.112 120.400 0.043 0.000 2.505 129 D HA 0.545 5.186 4.640 0.002 0.000 0.249 129 D C -0.812 175.504 176.300 0.026 0.000 1.082 129 D CA -0.659 53.355 54.000 0.024 0.000 0.839 129 D CB 0.605 41.414 40.800 0.014 0.000 1.317 129 D HN -0.205 nan 8.370 nan 0.000 0.497 130 N N 1.329 120.028 118.700 -0.001 0.000 2.380 130 N HA 0.597 5.338 4.740 0.002 0.000 0.290 130 N C -0.627 174.821 175.510 -0.104 0.000 1.236 130 N CA -0.574 52.466 53.050 -0.017 0.000 0.780 130 N CB 1.525 40.002 38.487 -0.015 0.000 1.438 130 N HN 0.483 nan 8.380 nan 0.000 0.491 131 L N -0.214 120.896 121.223 -0.188 0.000 0.585 131 L HA -0.139 4.202 4.340 0.002 0.000 0.356 131 L C -2.171 174.531 176.870 -0.280 0.000 1.004 131 L CA -0.427 54.129 54.840 -0.474 0.000 1.223 131 L CB -1.197 40.547 42.059 -0.526 0.000 0.012 131 L HN 0.562 nan 8.230 nan 0.000 0.091 132 P HA 0.406 nan 4.420 nan 0.000 0.302 132 P C -0.062 177.141 177.300 -0.161 0.000 1.307 132 P CA -0.127 62.882 63.100 -0.152 0.000 0.754 132 P CB 0.270 31.924 31.700 -0.076 0.000 1.298 133 F N -0.442 119.444 119.950 -0.107 0.000 2.495 133 F HA 0.310 4.838 4.527 0.002 0.000 0.365 133 F C 1.562 177.265 175.800 -0.162 0.000 1.090 133 F CA -0.873 57.050 58.000 -0.128 0.000 1.235 133 F CB -1.140 37.792 39.000 -0.112 0.000 1.119 133 F HN 0.371 nan 8.300 nan 0.000 0.562 134 L N 2.522 123.636 121.223 -0.182 0.000 3.737 134 L HA -0.116 4.226 4.340 0.002 0.000 0.418 134 L C 0.936 177.769 176.870 -0.061 0.000 1.216 134 L CA 0.734 55.476 54.840 -0.164 0.000 0.915 134 L CB -2.019 39.816 42.059 -0.374 0.000 1.834 134 L HN 2.526 nan 8.230 nan 0.000 0.943 135 G N -1.767 106.950 108.800 -0.138 0.000 2.795 135 G HA2 -0.255 3.706 3.960 0.002 0.000 0.664 135 G HA3 -0.255 3.706 3.960 0.002 0.000 0.664 135 G C -0.088 174.679 174.900 -0.221 0.000 1.381 135 G CA -0.131 44.846 45.100 -0.206 0.000 0.853 135 G HN 0.031 nan 8.290 nan 0.000 0.545 136 F N -0.290 119.531 119.950 -0.214 0.000 2.546 136 F HA 0.162 4.691 4.527 0.003 0.000 0.298 136 F C 2.219 177.815 175.800 -0.341 0.000 1.120 136 F CA 1.477 59.280 58.000 -0.329 0.000 1.456 136 F CB -0.238 38.461 39.000 -0.502 0.000 1.088 136 F HN 0.441 nan 8.300 nan 0.000 0.572 137 Y N -2.648 117.744 120.300 0.154 0.000 2.524 137 Y HA 0.034 4.585 4.550 0.002 0.000 0.270 137 Y C 2.413 178.341 175.900 0.047 0.000 1.094 137 Y CA 0.184 58.330 58.100 0.077 0.000 1.276 137 Y CB -1.088 37.445 38.460 0.121 0.000 1.130 137 Y HN 0.013 nan 8.280 nan 0.000 0.536 138 H N 0.555 119.703 119.070 0.131 0.000 2.275 138 H HA -0.287 4.270 4.556 0.002 0.000 0.287 138 H C 2.085 177.445 175.328 0.053 0.000 1.097 138 H CA 2.922 59.016 56.048 0.078 0.000 1.169 138 H CB -0.283 29.499 29.762 0.032 0.000 1.349 138 H HN 0.052 nan 8.280 nan 0.000 0.501 139 M N -0.269 119.240 119.600 -0.152 0.000 2.117 139 M HA -0.094 4.387 4.480 0.002 0.000 0.262 139 M C 2.716 178.932 176.300 -0.141 0.000 1.065 139 M CA 1.437 56.611 55.300 -0.210 0.000 1.114 139 M CB -1.237 31.322 32.600 -0.068 0.000 1.361 139 M HN 0.531 nan 8.290 nan 0.000 0.408 140 A N 0.606 123.332 122.820 -0.156 0.000 1.883 140 A HA -0.239 4.083 4.320 0.002 0.000 0.217 140 A C 1.977 179.575 177.584 0.023 0.000 1.186 140 A CA 2.363 54.226 52.037 -0.290 0.000 0.624 140 A CB -1.106 17.324 19.000 -0.949 0.000 0.822 140 A HN 0.556 nan 8.150 nan 0.000 0.444 141 N N 0.149 118.897 118.700 0.080 0.000 2.166 141 N HA -0.076 4.666 4.740 0.002 0.000 0.186 141 N C 1.715 177.282 175.510 0.095 0.000 1.019 141 N CA 1.879 55.029 53.050 0.165 0.000 0.856 141 N CB -0.391 38.171 38.487 0.124 0.000 0.993 141 N HN 0.366 nan 8.380 nan 0.000 0.426 142 A N 0.238 123.058 122.820 -0.001 0.000 1.908 142 A HA -0.031 4.291 4.320 0.002 0.000 0.218 142 A C 2.341 179.941 177.584 0.026 0.000 1.181 142 A CA 2.045 54.069 52.037 -0.022 0.000 0.627 142 A CB -1.247 17.686 19.000 -0.112 0.000 0.818 142 A HN 0.455 nan 8.150 nan 0.000 0.445 143 A N -0.596 122.258 122.820 0.056 0.000 1.898 143 A HA 0.018 4.339 4.320 0.002 0.000 0.216 143 A C 2.218 179.874 177.584 0.121 0.000 1.181 143 A CA 1.369 53.456 52.037 0.085 0.000 0.620 143 A CB -0.583 18.485 19.000 0.113 0.000 0.819 143 A HN 0.559 nan 8.150 nan 0.000 0.442 144 L N -0.111 121.229 121.223 0.196 0.000 2.017 144 L HA -0.257 4.085 4.340 0.002 0.000 0.208 144 L C 2.204 179.153 176.870 0.132 0.000 1.073 144 L CA 2.209 57.169 54.840 0.200 0.000 0.745 144 L CB -0.493 41.709 42.059 0.238 0.000 0.894 144 L HN 0.522 nan 8.230 nan 0.000 0.432 145 N N -0.437 118.323 118.700 0.100 0.000 2.120 145 N HA -0.215 4.526 4.740 0.002 0.000 0.188 145 N C 0.928 176.463 175.510 0.041 0.000 1.024 145 N CA 0.450 53.538 53.050 0.064 0.000 0.852 145 N CB -0.198 38.319 38.487 0.051 0.000 1.003 145 N HN 0.177 nan 8.380 nan 0.000 0.424 146 R N 1.787 122.307 120.500 0.033 0.000 4.045 146 R HA 0.017 4.359 4.340 0.002 0.000 0.174 146 R C -0.855 175.435 176.300 -0.015 0.000 1.805 146 R CA 0.286 56.391 56.100 0.009 0.000 1.368 146 R CB -0.609 29.696 30.300 0.008 0.000 1.362 146 R HN 0.158 nan 8.270 nan 0.000 0.777 153 L N 1.068 122.157 121.223 -0.223 0.000 2.079 153 L HA -0.073 4.269 4.340 0.002 0.000 0.210 153 L C 2.399 178.826 176.870 -0.737 0.000 1.081 153 L CA 1.411 56.059 54.840 -0.321 0.000 0.752 153 L CB -0.292 41.561 42.059 -0.344 0.000 0.896 153 L HN 0.267 nan 8.230 nan 0.000 0.433 154 R N 0.780 120.971 120.500 -0.516 0.000 2.117 154 R HA -0.195 4.146 4.340 0.002 0.000 0.243 154 R C 1.625 177.824 176.300 -0.168 0.000 1.143 154 R CA 1.915 57.844 56.100 -0.284 0.000 0.968 154 R CB -0.698 29.549 30.300 -0.088 0.000 0.863 154 R HN 0.367 nan 8.270 nan 0.000 0.444 155 D N -0.362 119.884 120.400 -0.257 0.000 2.084 155 D HA -0.149 4.492 4.640 0.002 0.000 0.194 155 D C 1.764 177.971 176.300 -0.155 0.000 0.990 155 D CA 1.392 55.245 54.000 -0.245 0.000 0.826 155 D CB -0.492 40.056 40.800 -0.419 0.000 0.971 155 D HN 0.186 nan 8.370 nan 0.000 0.453 156 F N 0.441 120.333 119.950 -0.097 0.000 2.095 156 F HA -0.175 4.354 4.527 0.003 0.000 0.298 156 F C 2.456 178.319 175.800 0.104 0.000 1.104 156 F CA 0.830 58.805 58.000 -0.041 0.000 1.232 156 F CB -1.314 37.627 39.000 -0.099 0.000 0.987 156 F HN 0.133 nan 8.300 nan 0.000 0.475 157 Y N 0.079 120.516 120.300 0.229 0.000 2.128 157 Y HA -0.276 4.276 4.550 0.002 0.000 0.284 157 Y C 2.313 178.291 175.900 0.131 0.000 1.154 157 Y CA 0.633 58.836 58.100 0.171 0.000 1.149 157 Y CB -0.477 38.076 38.460 0.155 0.000 0.976 157 Y HN -0.001 nan 8.280 nan 0.000 0.505 158 D N -0.436 120.121 120.400 0.261 0.000 2.224 158 D HA -0.138 4.504 4.640 0.002 0.000 0.205 158 D C 2.127 178.529 176.300 0.169 0.000 0.965 158 D CA 0.606 54.710 54.000 0.174 0.000 0.852 158 D CB -0.394 40.473 40.800 0.112 0.000 0.947 158 D HN 0.154 nan 8.370 nan 0.000 0.494 159 V N 0.710 120.738 119.914 0.191 0.000 2.358 159 V HA -0.178 3.943 4.120 0.002 0.000 0.246 159 V C 2.220 178.513 176.094 0.331 0.000 1.047 159 V CA 0.987 63.429 62.300 0.237 0.000 1.035 159 V CB -0.208 31.768 31.823 0.255 0.000 0.658 159 V HN 0.131 nan 8.190 nan 0.000 0.452 160 I N 0.415 121.161 120.570 0.294 0.000 2.076 160 I HA -0.231 3.940 4.170 0.002 0.000 0.237 160 I C 2.505 178.777 176.117 0.258 0.000 1.059 160 I CA 2.380 63.861 61.300 0.301 0.000 1.317 160 I CB -0.667 37.435 38.000 0.170 0.000 1.037 160 I HN 0.411 nan 8.210 nan 0.000 0.398 161 V N -1.380 118.639 119.914 0.176 0.000 2.427 161 V HA -0.209 3.913 4.120 0.002 0.000 0.248 161 V C 2.057 178.217 176.094 0.110 0.000 1.051 161 V CA 1.602 63.970 62.300 0.114 0.000 1.048 161 V CB -0.955 30.915 31.823 0.079 0.000 0.666 161 V HN 0.431 nan 8.190 nan 0.000 0.456 162 E N 0.209 120.483 120.200 0.124 0.000 2.028 162 E HA -0.131 4.221 4.350 0.002 0.000 0.190 162 E C 2.369 179.022 176.600 0.089 0.000 0.984 162 E CA 1.305 57.762 56.400 0.096 0.000 0.800 162 E CB -0.185 29.569 29.700 0.089 0.000 0.758 162 E HN 0.566 nan 8.360 nan 0.000 0.448 163 E N 0.651 120.917 120.200 0.111 0.000 2.150 163 E HA -0.109 4.242 4.350 0.002 0.000 0.193 163 E C 2.276 178.874 176.600 -0.002 0.000 0.985 163 E CA 0.478 56.887 56.400 0.016 0.000 0.814 163 E CB -0.166 29.485 29.700 -0.082 0.000 0.752 163 E HN 0.096 nan 8.360 nan 0.000 0.466 164 V N 1.191 121.169 119.914 0.106 0.000 2.270 164 V HA -0.234 3.888 4.120 0.002 0.000 0.245 164 V C 2.603 178.759 176.094 0.103 0.000 1.043 164 V CA 1.933 64.298 62.300 0.108 0.000 1.014 164 V CB -0.454 31.458 31.823 0.150 0.000 0.645 164 V HN 0.168 nan 8.190 nan 0.000 0.447 165 R N -0.127 120.437 120.500 0.108 0.000 2.127 165 R HA -0.198 4.143 4.340 0.002 0.000 0.238 165 R C 2.449 178.805 176.300 0.093 0.000 1.134 165 R CA 1.723 57.898 56.100 0.125 0.000 0.975 165 R CB -0.269 30.093 30.300 0.102 0.000 0.865 165 R HN 0.425 nan 8.270 nan 0.000 0.447 166 R N -0.014 120.522 120.500 0.060 0.000 2.062 166 R HA -0.095 4.247 4.340 0.002 0.000 0.231 166 R C 2.186 178.507 176.300 0.035 0.000 1.136 166 R CA 2.014 58.137 56.100 0.038 0.000 0.948 166 R CB -0.176 30.135 30.300 0.017 0.000 0.845 166 R HN 0.247 nan 8.270 nan 0.000 0.430 167 M N -0.846 118.767 119.600 0.023 0.000 2.213 167 M HA -0.150 4.332 4.480 0.002 0.000 0.263 167 M C 2.169 178.487 176.300 0.031 0.000 1.062 167 M CA 1.836 57.155 55.300 0.032 0.000 1.105 167 M CB -0.065 32.525 32.600 -0.016 0.000 1.385 167 M HN 0.226 nan 8.290 nan 0.000 0.417 168 T N -1.666 112.909 114.554 0.035 0.000 3.046 168 T HA 0.249 4.600 4.350 0.002 0.000 0.242 168 T C 1.211 175.852 174.700 -0.099 0.000 1.018 168 T CA 1.196 63.296 62.100 -0.001 0.000 1.131 168 T CB 0.092 69.076 68.868 0.192 0.000 0.904 168 T HN 0.590 nan 8.240 nan 0.000 0.459 169 G N 0.741 109.532 108.800 -0.015 0.000 2.131 169 G HA2 -0.161 3.800 3.960 0.002 0.000 0.223 169 G HA3 -0.161 3.800 3.960 0.002 0.000 0.223 169 G C -0.060 174.854 174.900 0.022 0.000 0.990 169 G CA -0.184 44.898 45.100 -0.031 0.000 0.671 169 G HN 0.465 nan 8.290 nan 0.000 0.521 170 F N 0.995 121.010 119.950 0.108 0.000 2.418 170 F HA 0.401 4.930 4.527 0.002 0.000 0.341 170 F C 1.572 177.471 175.800 0.166 0.000 1.120 170 F CA -0.179 57.956 58.000 0.225 0.000 1.232 170 F CB 0.792 39.865 39.000 0.123 0.000 1.175 170 F HN -0.031 nan 8.300 nan 0.000 0.569 171 D N 0.781 121.423 120.400 0.403 0.000 2.219 171 D HA -0.084 4.558 4.640 0.002 0.000 0.205 171 D C 0.679 177.016 176.300 0.061 0.000 0.970 171 D CA 1.299 55.342 54.000 0.071 0.000 0.851 171 D CB 0.220 40.933 40.800 -0.146 0.000 0.943 171 D HN 0.322 nan 8.370 nan 0.000 0.488 172 R N -0.265 120.293 120.500 0.096 0.000 2.535 172 R HA 0.415 4.756 4.340 0.002 0.000 0.274 172 R C -2.101 174.136 176.300 -0.105 0.000 1.090 172 R CA -0.398 55.680 56.100 -0.038 0.000 0.930 172 R CB 1.865 32.095 30.300 -0.117 0.000 1.223 172 R HN -0.258 nan 8.270 nan 0.000 0.441 173 V N 5.873 125.728 119.914 -0.099 0.000 2.623 173 V HA 0.538 4.660 4.120 0.002 0.000 0.304 173 V C -0.216 175.816 176.094 -0.103 0.000 1.054 173 V CA -0.674 61.550 62.300 -0.127 0.000 0.882 173 V CB 1.802 33.607 31.823 -0.030 0.000 1.002 173 V HN 0.770 nan 8.190 nan 0.000 0.424 174 M N 4.296 123.811 119.600 -0.142 0.000 2.631 174 M HA 0.784 5.265 4.480 0.002 0.000 0.288 174 M C -1.828 174.430 176.300 -0.070 0.000 1.260 174 M CA -1.032 54.218 55.300 -0.082 0.000 0.842 174 M CB 2.607 35.162 32.600 -0.075 0.000 1.743 174 M HN 0.421 nan 8.290 nan 0.000 0.461 175 L N 2.276 123.477 121.223 -0.037 0.000 2.276 175 L HA 0.488 4.829 4.340 0.002 0.000 0.286 175 L C -1.854 174.964 176.870 -0.087 0.000 1.024 175 L CA -0.206 54.606 54.840 -0.047 0.000 0.826 175 L CB 0.910 42.951 42.059 -0.031 0.000 1.211 175 L HN 0.647 nan 8.230 nan 0.000 0.422 176 Y N 5.369 125.499 120.300 -0.284 0.000 2.342 176 Y HA 0.548 5.099 4.550 0.002 0.000 0.338 176 Y C -0.320 175.224 175.900 -0.593 0.000 0.965 176 Y CA -0.471 57.376 58.100 -0.421 0.000 1.159 176 Y CB 0.723 38.894 38.460 -0.482 0.000 1.157 176 Y HN 0.646 nan 8.280 nan 0.000 0.486 177 R N 6.273 126.202 120.500 -0.952 0.000 2.393 177 R HA 0.402 4.743 4.340 0.002 0.000 0.315 177 R C -1.620 174.093 176.300 -0.978 0.000 0.952 177 R CA -0.615 54.853 56.100 -1.053 0.000 0.842 177 R CB 0.581 30.253 30.300 -1.047 0.000 1.163 177 R HN 0.580 nan 8.270 nan 0.000 0.450 178 F N 3.455 123.043 119.950 -0.604 0.000 2.443 178 F HA 0.077 4.606 4.527 0.004 0.000 0.353 178 F C 1.052 176.658 175.800 -0.323 0.000 1.101 178 F CA 0.051 57.826 58.000 -0.376 0.000 1.226 178 F CB 0.531 39.405 39.000 -0.211 0.000 1.140 178 F HN 0.614 nan 8.300 nan 0.000 0.557 179 D N 1.599 121.998 120.400 -0.003 0.000 2.511 179 D HA 0.290 4.932 4.640 0.002 0.000 0.276 179 D C 1.172 177.508 176.300 0.060 0.000 1.220 179 D CA 0.085 54.084 54.000 -0.003 0.000 1.077 179 D CB -0.184 40.630 40.800 0.022 0.000 1.126 179 D HN 0.519 nan 8.370 nan 0.000 0.583 180 E N -0.896 119.339 120.200 0.059 0.000 2.265 180 E HA -0.167 4.184 4.350 0.002 0.000 0.196 180 E C 1.277 177.942 176.600 0.108 0.000 0.996 180 E CA 1.430 57.875 56.400 0.075 0.000 0.832 180 E CB -1.153 28.591 29.700 0.074 0.000 0.756 180 E HN 0.598 nan 8.360 nan 0.000 0.491 181 N N 0.300 119.102 118.700 0.170 0.000 2.235 181 N HA 0.086 4.827 4.740 0.002 0.000 0.209 181 N C -0.000 175.643 175.510 0.222 0.000 1.122 181 N CA 0.213 53.407 53.050 0.241 0.000 0.845 181 N CB 0.764 39.485 38.487 0.390 0.000 1.004 181 N HN 0.245 nan 8.380 nan 0.000 0.499 182 N N 0.058 118.851 118.700 0.155 0.000 2.778 182 N HA -0.202 4.539 4.740 0.002 0.000 0.249 182 N C -0.646 174.964 175.510 0.168 0.000 1.069 182 N CA 0.944 54.057 53.050 0.105 0.000 0.831 182 N CB -1.291 37.166 38.487 -0.050 0.000 1.142 182 N HN 0.524 nan 8.380 nan 0.000 0.573 183 H N -0.262 118.891 119.070 0.138 0.000 2.703 183 H HA 0.530 5.087 4.556 0.003 0.000 0.377 183 H C 1.451 176.753 175.328 -0.043 0.000 1.392 183 H CA 1.140 57.221 56.048 0.055 0.000 1.458 183 H CB 0.407 30.158 29.762 -0.019 0.000 1.529 183 H HN 0.289 nan 8.280 nan 0.000 0.619 184 G N -0.752 107.946 108.800 -0.170 0.000 2.660 184 G HA2 0.435 4.396 3.960 0.002 0.000 0.294 184 G HA3 0.435 4.396 3.960 0.002 0.000 0.294 184 G C -1.533 172.982 174.900 -0.641 0.000 1.369 184 G CA -0.721 43.953 45.100 -0.711 0.000 0.912 184 G HN 0.549 nan 8.290 nan 0.000 0.479 185 D N 0.127 120.073 120.400 -0.756 0.000 2.780 185 D HA 0.330 4.971 4.640 0.002 0.000 0.242 185 D C -0.388 175.714 176.300 -0.329 0.000 1.135 185 D CA -0.335 53.477 54.000 -0.315 0.000 0.859 185 D CB 2.692 43.379 40.800 -0.188 0.000 1.530 185 D HN 0.161 nan 8.370 nan 0.000 0.493 186 V N 3.068 122.987 119.914 0.008 0.000 2.397 186 V HA 0.064 4.185 4.120 0.002 0.000 0.262 186 V C 1.595 177.680 176.094 -0.015 0.000 1.047 186 V CA -0.018 62.311 62.300 0.049 0.000 1.003 186 V CB -0.063 31.889 31.823 0.216 0.000 1.037 186 V HN 0.507 nan 8.190 nan 0.000 0.480 187 I N 2.018 122.523 120.570 -0.108 0.000 3.956 187 I HA 0.722 4.893 4.170 0.002 0.000 0.333 187 I C 0.690 176.795 176.117 -0.020 0.000 1.302 187 I CA 0.209 61.447 61.300 -0.104 0.000 1.122 187 I CB 0.324 38.163 38.000 -0.267 0.000 1.013 187 I HN 0.506 nan 8.210 nan 0.000 0.405 188 A N 1.113 123.934 122.820 0.001 0.000 2.594 188 A HA 0.752 5.073 4.320 0.002 0.000 0.296 188 A C -1.199 176.413 177.584 0.048 0.000 1.061 188 A CA -0.423 51.656 52.037 0.069 0.000 0.689 188 A CB 1.451 20.527 19.000 0.126 0.000 1.280 188 A HN 0.329 nan 8.150 nan 0.000 0.406 189 E N 1.057 121.290 120.200 0.055 0.000 2.388 189 E HA 0.439 4.790 4.350 0.002 0.000 0.289 189 E C -2.245 174.371 176.600 0.026 0.000 0.944 189 E CA -0.399 56.016 56.400 0.026 0.000 0.792 189 E CB 1.849 31.562 29.700 0.022 0.000 1.239 189 E HN 0.616 nan 8.360 nan 0.000 0.412 190 D N 2.973 123.382 120.400 0.015 0.000 2.362 190 D HA 0.486 5.127 4.640 0.002 0.000 0.247 190 D C -1.480 174.819 176.300 -0.002 0.000 1.050 190 D CA -0.227 53.785 54.000 0.019 0.000 0.839 190 D CB 1.002 41.827 40.800 0.042 0.000 1.283 190 D HN 0.450 nan 8.370 nan 0.000 0.477 191 K N 0.901 121.298 120.400 -0.005 0.000 2.579 191 K HA 0.518 4.839 4.320 0.002 0.000 0.284 191 K C -0.615 175.978 176.600 -0.012 0.000 0.990 191 K CA -1.103 55.170 56.287 -0.023 0.000 0.880 191 K CB 1.135 33.591 32.500 -0.072 0.000 1.488 191 K HN 0.131 nan 8.250 nan 0.000 0.425 192 R N 0.583 121.074 120.500 -0.016 0.000 2.756 192 R HA -0.020 4.322 4.340 0.002 0.000 0.264 192 R C -0.197 176.092 176.300 -0.018 0.000 1.026 192 R CA 0.252 56.344 56.100 -0.014 0.000 1.121 192 R CB 0.194 30.480 30.300 -0.024 0.000 0.999 192 R HN 0.689 nan 8.270 nan 0.000 0.449 193 D N 0.725 121.120 120.400 -0.009 0.000 2.317 193 D HA -0.122 4.519 4.640 0.002 0.000 0.211 193 D C 1.081 177.378 176.300 -0.006 0.000 0.966 193 D CA 1.016 55.013 54.000 -0.005 0.000 0.876 193 D CB 0.004 40.805 40.800 0.002 0.000 0.927 193 D HN 0.599 nan 8.370 nan 0.000 0.519 194 D N -0.351 120.043 120.400 -0.010 0.000 2.348 194 D HA -0.080 4.562 4.640 0.002 0.000 0.211 194 D C 0.604 176.897 176.300 -0.011 0.000 0.998 194 D CA 0.058 54.054 54.000 -0.006 0.000 0.873 194 D CB 0.157 40.953 40.800 -0.006 0.000 0.925 194 D HN 0.156 nan 8.370 nan 0.000 0.524 195 M N 1.315 120.898 119.600 -0.028 0.000 2.249 195 M HA 0.334 4.816 4.480 0.002 0.000 0.351 195 M C 0.538 176.809 176.300 -0.047 0.000 1.180 195 M CA -0.218 55.055 55.300 -0.045 0.000 1.127 195 M CB 1.366 33.914 32.600 -0.086 0.000 1.546 195 M HN -0.017 nan 8.290 nan 0.000 0.461 196 E N 4.238 124.425 120.200 -0.021 0.000 2.376 196 E HA 0.257 4.608 4.350 0.002 0.000 0.266 196 E C -2.619 173.963 176.600 -0.031 0.000 1.009 196 E CA -1.788 54.629 56.400 0.027 0.000 0.902 196 E CB -0.803 28.968 29.700 0.119 0.000 0.972 196 E HN 0.394 nan 8.360 nan 0.000 0.439 197 P HA 0.169 nan 4.420 nan 0.000 0.275 197 P C -0.524 176.913 177.300 0.228 0.000 1.227 197 P CA -0.169 62.943 63.100 0.020 0.000 0.781 197 P CB 0.562 32.295 31.700 0.056 0.000 0.906 198 Y N 0.471 120.836 120.300 0.109 0.000 2.458 198 Y HA 0.182 4.733 4.550 0.002 0.000 0.256 198 Y C 1.152 177.141 175.900 0.149 0.000 1.159 198 Y CA -1.278 56.922 58.100 0.167 0.000 1.261 198 Y CB -0.827 37.758 38.460 0.209 0.000 1.119 198 Y HN 0.171 nan 8.280 nan 0.000 0.524 199 L N 1.235 122.594 121.223 0.227 0.000 2.667 199 L HA 0.272 4.613 4.340 0.002 0.000 0.278 199 L C 1.275 178.226 176.870 0.136 0.000 1.217 199 L CA 1.405 56.335 54.840 0.149 0.000 0.935 199 L CB -0.106 42.010 42.059 0.096 0.000 1.193 199 L HN 0.556 nan 8.230 nan 0.000 0.493 200 G N 3.481 112.349 108.800 0.113 0.000 2.176 200 G HA2 -0.236 3.725 3.960 0.002 0.000 0.253 200 G HA3 -0.236 3.725 3.960 0.002 0.000 0.253 200 G C 0.242 175.184 174.900 0.069 0.000 0.979 200 G CA 0.179 45.321 45.100 0.069 0.000 0.641 200 G HN 0.607 nan 8.290 nan 0.000 0.530 201 L N 0.372 121.678 121.223 0.137 0.000 2.395 201 L HA 0.585 4.926 4.340 0.002 0.000 0.269 201 L C 0.596 177.485 176.870 0.032 0.000 1.133 201 L CA -0.836 54.035 54.840 0.052 0.000 0.812 201 L CB 1.039 43.123 42.059 0.042 0.000 1.125 201 L HN 0.339 nan 8.230 nan 0.000 0.452 202 H N 1.603 120.479 119.070 -0.323 0.000 2.469 202 H HA 0.493 5.050 4.556 0.002 0.000 0.342 202 H C -1.555 173.564 175.328 -0.348 0.000 1.115 202 H CA -0.363 55.484 56.048 -0.336 0.000 1.204 202 H CB 1.013 30.388 29.762 -0.645 0.000 1.492 202 H HN 0.267 nan 8.280 nan 0.000 0.499 203 Y N 4.024 124.114 120.300 -0.350 0.000 2.462 203 Y HA 0.353 4.905 4.550 0.002 0.000 0.346 203 Y C -2.246 173.730 175.900 0.126 0.000 0.976 203 Y CA -2.883 55.276 58.100 0.100 0.000 1.044 203 Y CB 1.531 40.144 38.460 0.255 0.000 1.230 203 Y HN 0.671 nan 8.280 nan 0.000 0.455 204 P HA -0.001 nan 4.420 nan 0.000 0.268 204 P C 0.402 177.781 177.300 0.131 0.000 1.208 204 P CA 0.027 63.387 63.100 0.434 0.000 0.777 204 P CB 0.824 32.750 31.700 0.377 0.000 0.875 205 E N 1.033 121.113 120.200 -0.201 0.000 2.204 205 E HA -0.175 4.177 4.350 0.002 0.000 0.194 205 E C 1.368 177.945 176.600 -0.038 0.000 0.989 205 E CA 1.694 58.012 56.400 -0.137 0.000 0.824 205 E CB -0.892 28.634 29.700 -0.290 0.000 0.756 205 E HN 0.330 nan 8.360 nan 0.000 0.477 206 S N -0.070 115.622 115.700 -0.013 0.000 2.474 206 S HA -0.140 4.331 4.470 0.002 0.000 0.235 206 S C 1.098 175.668 174.600 -0.051 0.000 0.997 206 S CA 0.935 59.111 58.200 -0.039 0.000 0.949 206 S CB -0.221 62.977 63.200 -0.005 0.000 0.766 206 S HN 0.196 nan 8.310 nan 0.000 0.517 207 D N 2.053 122.463 120.400 0.015 0.000 2.117 207 D HA 0.080 4.721 4.640 0.002 0.000 0.198 207 D C 0.624 176.813 176.300 -0.184 0.000 0.982 207 D CA 0.934 54.883 54.000 -0.085 0.000 0.828 207 D CB -0.144 40.661 40.800 0.009 0.000 0.967 207 D HN 0.510 nan 8.370 nan 0.000 0.464 208 I N 2.430 122.958 120.570 -0.071 0.000 2.479 208 I HA 0.228 4.400 4.170 0.002 0.000 0.279 208 I C -2.362 173.711 176.117 -0.073 0.000 1.102 208 I CA -1.891 59.373 61.300 -0.061 0.000 1.196 208 I CB 1.087 39.161 38.000 0.125 0.000 1.427 208 I HN -0.226 nan 8.210 nan 0.000 0.503 209 P HA -0.019 nan 4.420 nan 0.000 0.273 209 P C 0.589 177.795 177.300 -0.157 0.000 1.250 209 P CA -0.130 62.883 63.100 -0.145 0.000 0.793 209 P CB 1.109 32.703 31.700 -0.176 0.000 1.011 210 Q N 0.902 120.609 119.800 -0.155 0.000 2.096 210 Q HA -0.176 4.165 4.340 0.002 0.000 0.208 210 Q C -0.841 175.044 176.000 -0.192 0.000 0.993 210 Q CA 2.792 58.496 55.803 -0.165 0.000 0.862 210 Q CB -1.883 26.771 28.738 -0.141 0.000 0.915 210 Q HN 0.366 nan 8.270 nan 0.000 0.416 211 P HA -0.088 nan 4.420 nan 0.000 0.218 211 P C 0.716 177.858 177.300 -0.264 0.000 1.149 211 P CA 1.908 64.858 63.100 -0.250 0.000 0.817 211 P CB -0.275 31.279 31.700 -0.244 0.000 0.785 212 A N -0.253 122.430 122.820 -0.227 0.000 1.929 212 A HA -0.143 4.178 4.320 0.002 0.000 0.216 212 A C 2.305 179.803 177.584 -0.142 0.000 1.176 212 A CA 1.168 53.074 52.037 -0.217 0.000 0.628 212 A CB -0.917 17.973 19.000 -0.183 0.000 0.816 212 A HN 0.024 nan 8.150 nan 0.000 0.444 213 R N -1.014 119.416 120.500 -0.116 0.000 2.075 213 R HA -0.052 4.290 4.340 0.002 0.000 0.232 213 R C 2.485 178.716 176.300 -0.116 0.000 1.126 213 R CA 1.227 57.272 56.100 -0.092 0.000 0.963 213 R CB -0.269 29.881 30.300 -0.249 0.000 0.858 213 R HN 0.420 nan 8.270 nan 0.000 0.435 214 R N 1.000 121.376 120.500 -0.207 0.000 2.152 214 R HA -0.128 4.213 4.340 0.002 0.000 0.232 214 R C 2.131 178.197 176.300 -0.390 0.000 1.117 214 R CA 0.945 56.876 56.100 -0.281 0.000 0.981 214 R CB -0.240 29.866 30.300 -0.324 0.000 0.870 214 R HN 0.149 nan 8.270 nan 0.000 0.451 215 L N 0.220 121.223 121.223 -0.366 0.000 2.046 215 L HA -0.127 4.214 4.340 0.002 0.000 0.208 215 L C 1.685 178.370 176.870 -0.309 0.000 1.077 215 L CA 1.690 56.287 54.840 -0.405 0.000 0.747 215 L CB -0.400 41.367 42.059 -0.487 0.000 0.896 215 L HN 0.052 nan 8.230 nan 0.000 0.432 216 F N -0.935 118.954 119.950 -0.100 0.000 2.699 216 F HA -0.073 4.456 4.527 0.003 0.000 0.298 216 F C 2.056 177.862 175.800 0.010 0.000 1.154 216 F CA 0.278 58.259 58.000 -0.031 0.000 1.457 216 F CB -0.373 38.616 39.000 -0.018 0.000 1.106 216 F HN 0.066 nan 8.300 nan 0.000 0.585 217 I N -1.015 119.642 120.570 0.145 0.000 2.617 217 I HA -0.209 3.963 4.170 0.002 0.000 0.256 217 I C 2.012 178.316 176.117 0.312 0.000 1.167 217 I CA 1.527 62.950 61.300 0.204 0.000 1.469 217 I CB -1.240 36.876 38.000 0.194 0.000 1.098 217 I HN 0.318 nan 8.210 nan 0.000 0.436 218 H N -0.992 118.086 119.070 0.013 0.000 2.604 218 H HA 0.162 4.718 4.556 0.000 0.000 0.273 218 H C 0.334 175.661 175.328 -0.001 0.000 0.971 218 H CA -0.108 55.939 56.048 -0.001 0.000 1.249 218 H CB 0.708 30.453 29.762 -0.029 0.000 1.449 218 H HN 0.113 nan 8.280 nan 0.000 0.512 219 N N 1.213 119.984 118.700 0.118 0.000 2.573 219 N HA 0.088 4.829 4.740 0.002 0.000 0.262 219 N C -2.158 173.452 175.510 0.167 0.000 1.029 219 N CA -2.273 50.811 53.050 0.057 0.000 0.882 219 N CB 1.678 40.121 38.487 -0.073 0.000 1.204 219 N HN -0.017 nan 8.380 nan 0.000 0.519 220 P HA 0.134 nan 4.420 nan 0.000 0.236 220 P C -0.285 177.159 177.300 0.239 0.000 1.177 220 P CA 0.649 63.879 63.100 0.216 0.000 0.773 220 P CB 0.814 32.590 31.700 0.128 0.000 0.878 221 I N -0.038 120.665 120.570 0.222 0.000 2.533 221 I HA 0.401 4.572 4.170 0.002 0.000 0.290 221 I C 0.015 176.265 176.117 0.221 0.000 1.056 221 I CA -0.873 60.548 61.300 0.203 0.000 1.057 221 I CB 2.513 40.579 38.000 0.111 0.000 1.240 221 I HN -0.374 nan 8.210 nan 0.000 0.423 222 R N 4.589 125.254 120.500 0.275 0.000 2.483 222 R HA 0.613 4.954 4.340 0.002 0.000 0.303 222 R C -1.543 174.861 176.300 0.174 0.000 0.987 222 R CA -0.722 55.497 56.100 0.199 0.000 0.881 222 R CB 2.429 32.864 30.300 0.225 0.000 1.177 222 R HN 0.427 nan 8.270 nan 0.000 0.451 223 V N 5.319 125.322 119.914 0.148 0.000 2.604 223 V HA 0.615 4.736 4.120 0.002 0.000 0.305 223 V C -0.643 175.536 176.094 0.141 0.000 1.043 223 V CA -0.735 61.654 62.300 0.148 0.000 0.888 223 V CB 1.877 33.789 31.823 0.148 0.000 0.995 223 V HN 0.662 nan 8.190 nan 0.000 0.429 224 I N 8.750 129.397 120.570 0.129 0.000 2.563 224 I HA 0.374 4.546 4.170 0.002 0.000 0.276 224 I C -1.721 174.435 176.117 0.065 0.000 1.074 224 I CA -1.505 59.854 61.300 0.099 0.000 1.124 224 I CB 2.144 40.196 38.000 0.087 0.000 1.225 224 I HN 0.496 nan 8.210 nan 0.000 0.482 225 P HA -0.067 nan 4.420 nan 0.000 0.221 225 P C 0.093 177.376 177.300 -0.028 0.000 1.150 225 P CA 1.228 64.287 63.100 -0.067 0.000 0.800 225 P CB 0.455 32.002 31.700 -0.256 0.000 0.787 226 D N -1.063 119.334 120.400 -0.004 0.000 2.575 226 D HA 0.143 4.785 4.640 0.002 0.000 0.250 226 D C 0.973 177.305 176.300 0.053 0.000 1.279 226 D CA -0.603 53.430 54.000 0.056 0.000 0.925 226 D CB 1.578 42.422 40.800 0.072 0.000 1.261 226 D HN -0.374 nan 8.370 nan 0.000 0.567 227 V N 3.635 123.558 119.914 0.016 0.000 2.358 227 V HA -0.204 3.918 4.120 0.002 0.000 0.246 227 V C 1.458 177.456 176.094 -0.160 0.000 1.047 227 V CA 1.428 63.654 62.300 -0.124 0.000 1.035 227 V CB -0.637 31.020 31.823 -0.275 0.000 0.658 227 V HN 0.613 nan 8.190 nan 0.000 0.452 228 Y N 0.954 121.264 120.300 0.018 0.000 2.561 228 Y HA 0.255 4.807 4.550 0.003 0.000 0.291 228 Y C 1.839 177.757 175.900 0.029 0.000 1.141 228 Y CA 0.118 58.230 58.100 0.020 0.000 1.303 228 Y CB -0.731 37.740 38.460 0.018 0.000 1.015 228 Y HN 0.277 nan 8.280 nan 0.000 0.547 229 G N 0.767 109.662 108.800 0.157 0.000 2.340 229 G HA2 0.282 4.244 3.960 0.002 0.000 0.245 229 G HA3 0.282 4.244 3.960 0.002 0.000 0.245 229 G C -0.490 174.466 174.900 0.094 0.000 1.294 229 G CA -0.394 44.781 45.100 0.126 0.000 0.896 229 G HN -0.034 nan 8.290 nan 0.000 0.522 230 V N 2.573 122.537 119.914 0.083 0.000 2.432 230 V HA 0.445 4.567 4.120 0.002 0.000 0.271 230 V C 1.031 177.155 176.094 0.050 0.000 1.046 230 V CA -0.606 61.728 62.300 0.058 0.000 0.945 230 V CB 0.727 32.580 31.823 0.049 0.000 0.992 230 V HN 1.002 nan 8.190 nan 0.000 0.471 231 A N 5.479 128.320 122.820 0.035 0.000 2.488 231 A HA 0.537 4.858 4.320 0.002 0.000 0.249 231 A C 0.130 177.719 177.584 0.010 0.000 1.083 231 A CA -0.162 51.890 52.037 0.024 0.000 0.768 231 A CB 0.386 19.393 19.000 0.011 0.000 1.017 231 A HN 1.319 nan 8.150 nan 0.000 0.496 232 V N 0.771 120.691 119.914 0.010 0.000 2.617 232 V HA 0.786 4.908 4.120 0.002 0.000 0.298 232 V C -2.568 173.526 176.094 -0.000 0.000 1.048 232 V CA -2.330 59.975 62.300 0.008 0.000 0.964 232 V CB 1.433 33.265 31.823 0.015 0.000 1.004 232 V HN 0.762 nan 8.190 nan 0.000 0.466 233 P HA 0.419 nan 4.420 nan 0.000 0.288 233 P C -0.470 176.884 177.300 0.091 0.000 1.267 233 P CA -0.653 62.477 63.100 0.050 0.000 0.815 233 P CB 1.365 33.122 31.700 0.095 0.000 0.989 234 L N 2.507 123.817 121.223 0.145 0.000 2.453 234 L HA 0.173 4.515 4.340 0.002 0.000 0.272 234 L C 0.866 177.791 176.870 0.091 0.000 1.182 234 L CA 0.668 55.571 54.840 0.104 0.000 0.858 234 L CB 0.222 42.344 42.059 0.104 0.000 1.120 234 L HN 0.510 nan 8.230 nan 0.000 0.474 235 T N 1.649 116.224 114.554 0.036 0.000 2.809 235 T HA 0.571 4.923 4.350 0.002 0.000 0.284 235 T C -2.571 172.124 174.700 -0.008 0.000 0.992 235 T CA -2.087 60.020 62.100 0.012 0.000 0.957 235 T CB 1.647 70.523 68.868 0.013 0.000 0.942 235 T HN 0.186 nan 8.240 nan 0.000 0.439 236 P HA 0.380 nan 4.420 nan 0.000 0.274 236 P C 0.919 178.170 177.300 -0.082 0.000 1.237 236 P CA -0.653 62.419 63.100 -0.047 0.000 0.793 236 P CB 0.451 32.120 31.700 -0.052 0.000 0.977 237 A N 1.582 124.295 122.820 -0.177 0.000 1.978 237 A HA -0.061 4.261 4.320 0.002 0.000 0.220 237 A C 1.081 178.496 177.584 -0.282 0.000 1.170 237 A CA 1.392 53.172 52.037 -0.429 0.000 0.636 237 A CB -0.768 17.642 19.000 -0.984 0.000 0.810 237 A HN 0.450 nan 8.150 nan 0.000 0.448 238 V N 0.604 120.410 119.914 -0.181 0.000 2.716 238 V HA 0.296 4.418 4.120 0.002 0.000 0.304 238 V C -0.147 175.903 176.094 -0.073 0.000 1.053 238 V CA -1.102 61.130 62.300 -0.114 0.000 0.984 238 V CB 1.431 33.196 31.823 -0.095 0.000 1.021 238 V HN 0.531 nan 8.190 nan 0.000 0.467 239 N N 6.509 125.176 118.700 -0.055 0.000 2.497 239 N HA 0.256 4.997 4.740 0.002 0.000 0.271 239 N C -1.716 173.772 175.510 -0.037 0.000 1.142 239 N CA -1.351 51.674 53.050 -0.041 0.000 0.965 239 N CB 1.867 40.334 38.487 -0.034 0.000 1.077 239 N HN 0.495 nan 8.380 nan 0.000 0.462 240 P HA -0.089 nan 4.420 nan 0.000 0.221 240 P C 1.118 178.404 177.300 -0.024 0.000 1.150 240 P CA 0.987 64.070 63.100 -0.028 0.000 0.800 240 P CB 0.295 31.980 31.700 -0.024 0.000 0.787 241 S N -1.423 114.264 115.700 -0.022 0.000 2.371 241 S HA -0.046 4.426 4.470 0.002 0.000 0.219 241 S C 2.231 176.820 174.600 -0.019 0.000 1.040 241 S CA 1.444 59.633 58.200 -0.019 0.000 0.958 241 S CB -1.729 61.461 63.200 -0.018 0.000 0.860 241 S HN 0.064 nan 8.310 nan 0.000 0.487 242 T N 1.801 116.343 114.554 -0.021 0.000 2.995 242 T HA 0.057 4.409 4.350 0.002 0.000 0.269 242 T C -0.047 174.640 174.700 -0.021 0.000 1.091 242 T CA 1.062 63.150 62.100 -0.019 0.000 1.128 242 T CB -1.192 67.664 68.868 -0.020 0.000 0.891 242 T HN 0.755 nan 8.240 nan 0.000 0.492 243 N N 0.629 119.314 118.700 -0.025 0.000 2.816 243 N HA -0.126 4.616 4.740 0.002 0.000 0.247 243 N C -0.434 175.057 175.510 -0.031 0.000 1.100 243 N CA 0.284 53.318 53.050 -0.027 0.000 0.687 243 N CB -0.779 37.695 38.487 -0.021 0.000 1.003 243 N HN 0.429 nan 8.380 nan 0.000 0.554 244 R N -0.758 119.719 120.500 -0.038 0.000 2.728 244 R HA 0.716 5.057 4.340 0.002 0.000 0.274 244 R C -0.930 175.337 176.300 -0.055 0.000 1.030 244 R CA -0.469 55.605 56.100 -0.044 0.000 0.876 244 R CB 0.998 31.276 30.300 -0.037 0.000 1.259 244 R HN 0.122 nan 8.270 nan 0.000 0.468 245 A N 1.045 123.827 122.820 -0.064 0.000 2.466 245 A HA 0.251 4.573 4.320 0.002 0.000 0.238 245 A C 0.007 177.558 177.584 -0.055 0.000 1.074 245 A CA -0.184 51.814 52.037 -0.065 0.000 0.774 245 A CB 0.523 19.486 19.000 -0.061 0.000 1.015 245 A HN 0.364 nan 8.150 nan 0.000 0.498 246 V N 2.559 122.452 119.914 -0.036 0.000 2.498 246 V HA 0.202 4.323 4.120 0.002 0.000 0.279 246 V C 0.093 176.172 176.094 -0.024 0.000 1.048 246 V CA -0.614 61.671 62.300 -0.024 0.000 0.967 246 V CB 1.258 33.074 31.823 -0.012 0.000 0.988 246 V HN 0.919 nan 8.190 nan 0.000 0.473 247 D N 6.027 126.418 120.400 -0.014 0.000 2.344 247 D HA 0.131 4.773 4.640 0.002 0.000 0.253 247 D C 0.207 176.555 176.300 0.080 0.000 1.255 247 D CA -0.011 53.992 54.000 0.004 0.000 0.894 247 D CB 0.809 41.642 40.800 0.055 0.000 1.067 247 D HN 0.623 nan 8.370 nan 0.000 0.492 248 L N 4.007 125.272 121.223 0.071 0.000 3.036 248 L HA 0.105 4.446 4.340 0.002 0.000 0.237 248 L C 1.779 178.695 176.870 0.077 0.000 1.319 248 L CA -0.273 54.625 54.840 0.096 0.000 1.112 248 L CB 0.201 42.298 42.059 0.063 0.000 1.480 248 L HN 0.285 nan 8.230 nan 0.000 0.506 249 T N -1.012 113.603 114.554 0.102 0.000 2.812 249 T HA -0.100 4.251 4.350 0.002 0.000 0.264 249 T C 1.442 176.129 174.700 -0.022 0.000 1.042 249 T CA 1.206 63.335 62.100 0.047 0.000 1.140 249 T CB 0.049 68.974 68.868 0.096 0.000 0.870 249 T HN 0.410 nan 8.240 nan 0.000 0.445 250 E N 1.291 121.467 120.200 -0.040 0.000 2.445 250 E HA 0.149 4.501 4.350 0.002 0.000 0.189 250 E C 0.343 176.697 176.600 -0.412 0.000 1.069 250 E CA -0.272 55.980 56.400 -0.247 0.000 0.871 250 E CB 0.271 29.752 29.700 -0.365 0.000 0.991 250 E HN 0.154 nan 8.360 nan 0.000 0.481 251 S N 0.591 116.196 115.700 -0.160 0.000 2.499 251 S HA 0.164 4.635 4.470 0.002 0.000 0.275 251 S C 1.123 175.705 174.600 -0.030 0.000 1.257 251 S CA -0.437 57.731 58.200 -0.053 0.000 1.050 251 S CB 0.480 63.709 63.200 0.050 0.000 0.937 251 S HN 0.145 nan 8.310 nan 0.000 0.490 252 I N 4.629 125.198 120.570 -0.001 0.000 2.233 252 I HA -0.100 4.072 4.170 0.002 0.000 0.243 252 I C 1.588 177.748 176.117 0.071 0.000 1.093 252 I CA 1.217 62.550 61.300 0.055 0.000 1.380 252 I CB -0.089 37.964 38.000 0.087 0.000 1.067 252 I HN 0.621 nan 8.210 nan 0.000 0.413 253 L N 0.271 121.516 121.223 0.036 0.000 2.592 253 L HA 0.113 4.455 4.340 0.002 0.000 0.227 253 L C 1.264 178.149 176.870 0.026 0.000 1.127 253 L CA -0.159 54.692 54.840 0.018 0.000 0.884 253 L CB -0.245 41.766 42.059 -0.081 0.000 1.065 253 L HN 0.148 nan 8.230 nan 0.000 0.457 254 R N 0.946 121.465 120.500 0.032 0.000 2.585 254 R HA 0.003 4.344 4.340 0.002 0.000 0.275 254 R C 0.230 176.558 176.300 0.048 0.000 1.018 254 R CA 0.137 56.256 56.100 0.031 0.000 1.072 254 R CB 0.675 30.991 30.300 0.026 0.000 0.953 254 R HN -0.048 nan 8.270 nan 0.000 0.419 255 S N 2.852 118.578 115.700 0.044 0.000 2.499 255 S HA 0.350 4.822 4.470 0.002 0.000 0.275 255 S C -0.144 174.497 174.600 0.068 0.000 1.257 255 S CA -0.399 57.837 58.200 0.060 0.000 1.050 255 S CB 0.769 63.996 63.200 0.045 0.000 0.937 255 S HN 0.713 nan 8.310 nan 0.000 0.490 256 A N 4.720 127.594 122.820 0.090 0.000 2.520 256 A HA 0.219 4.540 4.320 0.002 0.000 0.235 256 A C -0.083 177.579 177.584 0.130 0.000 1.065 256 A CA -0.138 51.973 52.037 0.122 0.000 0.764 256 A CB -0.223 18.909 19.000 0.221 0.000 1.002 256 A HN 0.933 nan 8.150 nan 0.000 0.502 257 Y N 2.160 122.448 120.300 -0.021 0.000 2.811 257 Y HA -0.011 4.541 4.550 0.004 0.000 0.334 257 Y C 1.766 177.605 175.900 -0.102 0.000 1.247 257 Y CA 1.135 59.173 58.100 -0.102 0.000 1.526 257 Y CB 0.216 38.567 38.460 -0.182 0.000 1.284 257 Y HN 0.953 nan 8.280 nan 0.000 0.586 258 H N 2.701 121.460 119.070 -0.518 0.000 2.353 258 H HA -0.254 4.303 4.556 0.002 0.000 0.298 258 H C 2.302 177.447 175.328 -0.305 0.000 1.103 258 H CA 1.916 57.738 56.048 -0.376 0.000 1.293 258 H CB -1.231 28.301 29.762 -0.383 0.000 1.372 258 H HN 0.707 nan 8.280 nan 0.000 0.501 259 C N 0.994 119.846 119.300 -0.746 0.000 2.413 259 C HA -0.220 4.241 4.460 0.002 0.000 0.276 259 C C 2.780 177.803 174.990 0.055 0.000 1.248 259 C CA 1.731 60.629 59.018 -0.201 0.000 1.742 259 C CB -1.299 26.323 27.740 -0.198 0.000 2.017 259 C HN 0.820 nan 8.230 nan 0.000 0.481 260 H N 0.138 119.179 119.070 -0.049 0.000 2.389 260 H HA 0.002 4.559 4.556 0.003 0.000 0.299 260 H C 1.849 177.209 175.328 0.053 0.000 1.081 260 H CA 2.053 58.108 56.048 0.011 0.000 1.345 260 H CB -0.317 29.431 29.762 -0.023 0.000 1.393 260 H HN 0.383 nan 8.280 nan 0.000 0.520 261 L N -0.020 121.142 121.223 -0.102 0.000 2.017 261 L HA -0.129 4.212 4.340 0.002 0.000 0.208 261 L C 2.542 179.332 176.870 -0.133 0.000 1.073 261 L CA 2.070 56.805 54.840 -0.175 0.000 0.745 261 L CB -1.303 40.690 42.059 -0.110 0.000 0.894 261 L HN 0.305 nan 8.230 nan 0.000 0.432 262 T N -1.639 112.900 114.554 -0.025 0.000 2.759 262 T HA -0.277 4.074 4.350 0.002 0.000 0.269 262 T C 1.790 176.533 174.700 0.073 0.000 1.042 262 T CA 1.596 63.715 62.100 0.031 0.000 1.140 262 T CB -0.476 68.460 68.868 0.114 0.000 0.864 262 T HN 0.315 nan 8.240 nan 0.000 0.455 263 Y N 1.514 121.806 120.300 -0.013 0.000 2.181 263 Y HA -0.044 4.508 4.550 0.003 0.000 0.288 263 Y C 1.969 177.808 175.900 -0.101 0.000 1.146 263 Y CA 1.139 59.265 58.100 0.043 0.000 1.164 263 Y CB -0.383 38.134 38.460 0.095 0.000 0.982 263 Y HN 0.127 nan 8.280 nan 0.000 0.515 264 L N -0.161 120.998 121.223 -0.107 0.000 2.217 264 L HA -0.178 4.164 4.340 0.002 0.000 0.211 264 L C 2.334 179.051 176.870 -0.255 0.000 1.107 264 L CA 1.244 55.920 54.840 -0.273 0.000 0.783 264 L CB -0.408 41.445 42.059 -0.342 0.000 0.919 264 L HN 0.162 nan 8.230 nan 0.000 0.442 265 K N 0.541 120.815 120.400 -0.210 0.000 2.001 265 K HA -0.123 4.198 4.320 0.002 0.000 0.208 265 K C 1.732 178.307 176.600 -0.042 0.000 1.048 265 K CA 1.779 57.969 56.287 -0.162 0.000 0.932 265 K CB -0.269 32.122 32.500 -0.181 0.000 0.715 265 K HN 0.527 nan 8.250 nan 0.000 0.437 266 N N 0.627 119.320 118.700 -0.011 0.000 2.512 266 N HA -0.152 4.589 4.740 0.002 0.000 0.183 266 N C 1.757 177.326 175.510 0.099 0.000 1.073 266 N CA 0.577 53.673 53.050 0.076 0.000 0.911 266 N CB -0.085 38.477 38.487 0.126 0.000 0.964 266 N HN 0.178 nan 8.380 nan 0.000 0.447 267 M N 0.744 120.257 119.600 -0.146 0.000 2.506 267 M HA 0.091 4.573 4.480 0.002 0.000 0.260 267 M C 0.431 176.663 176.300 -0.113 0.000 1.104 267 M CA 0.788 55.888 55.300 -0.333 0.000 1.112 267 M CB 0.259 32.375 32.600 -0.806 0.000 1.401 267 M HN 0.315 nan 8.290 nan 0.000 0.473 268 G N 1.347 110.101 108.800 -0.076 0.000 2.325 268 G HA2 -0.136 3.826 3.960 0.002 0.000 0.248 268 G HA3 -0.136 3.826 3.960 0.002 0.000 0.248 268 G C -0.714 174.166 174.900 -0.033 0.000 1.108 268 G CA -0.036 45.060 45.100 -0.006 0.000 0.881 268 G HN 0.354 nan 8.290 nan 0.000 0.494 269 V N -0.044 119.812 119.914 -0.097 0.000 2.443 269 V HA 0.709 4.831 4.120 0.002 0.000 0.293 269 V C 1.286 177.355 176.094 -0.042 0.000 1.021 269 V CA 0.336 62.571 62.300 -0.109 0.000 0.848 269 V CB 1.378 32.996 31.823 -0.341 0.000 0.998 269 V HN 0.652 nan 8.190 nan 0.000 0.424 270 G N 3.050 111.899 108.800 0.083 0.000 2.662 270 G HA2 0.519 4.481 3.960 0.002 0.000 0.212 270 G HA3 0.519 4.481 3.960 0.002 0.000 0.212 270 G C 0.389 175.361 174.900 0.121 0.000 1.141 270 G CA 0.811 46.000 45.100 0.148 0.000 0.797 270 G HN 0.990 nan 8.290 nan 0.000 0.531 271 A N -0.368 122.551 122.820 0.164 0.000 2.572 271 A HA 0.774 5.096 4.320 0.002 0.000 0.295 271 A C -0.568 177.169 177.584 0.255 0.000 1.072 271 A CA 0.069 52.222 52.037 0.194 0.000 0.691 271 A CB 1.476 20.604 19.000 0.213 0.000 1.291 271 A HN 0.999 nan 8.150 nan 0.000 0.404 272 S N -0.007 115.819 115.700 0.210 0.000 2.556 272 S HA 0.772 5.244 4.470 0.002 0.000 0.271 272 S C -1.517 173.147 174.600 0.106 0.000 1.135 272 S CA -0.628 57.650 58.200 0.129 0.000 0.858 272 S CB 1.502 64.774 63.200 0.119 0.000 1.114 272 S HN 1.920 nan 8.310 nan 0.000 0.468 273 L N 1.327 122.491 121.223 -0.098 0.000 2.409 273 L HA 0.786 5.128 4.340 0.002 0.000 0.272 273 L C -1.141 175.676 176.870 -0.088 0.000 0.980 273 L CA 0.188 55.015 54.840 -0.022 0.000 0.826 273 L CB 2.069 44.158 42.059 0.049 0.000 1.268 273 L HN 0.938 nan 8.230 nan 0.000 0.407 274 T N 6.561 121.121 114.554 0.009 0.000 2.809 274 T HA 0.646 4.998 4.350 0.002 0.000 0.284 274 T C -0.389 174.282 174.700 -0.049 0.000 0.992 274 T CA -0.175 61.893 62.100 -0.054 0.000 0.957 274 T CB 0.731 69.615 68.868 0.026 0.000 0.942 274 T HN 0.442 nan 8.240 nan 0.000 0.439 275 I N 2.715 123.203 120.570 -0.137 0.000 2.433 275 I HA 0.480 4.651 4.170 0.002 0.000 0.292 275 I C 0.601 176.579 176.117 -0.233 0.000 1.001 275 I CA -1.011 60.226 61.300 -0.105 0.000 1.119 275 I CB 1.879 39.852 38.000 -0.046 0.000 1.289 275 I HN 0.590 nan 8.210 nan 0.000 0.438 276 S N 6.948 122.517 115.700 -0.219 0.000 2.585 276 S HA 0.726 5.197 4.470 0.002 0.000 0.277 276 S C -0.628 173.882 174.600 -0.150 0.000 1.241 276 S CA -0.781 57.272 58.200 -0.246 0.000 1.041 276 S CB 1.401 64.513 63.200 -0.146 0.000 0.987 276 S HN 0.529 nan 8.310 nan 0.000 0.512 277 L N 2.948 124.052 121.223 -0.198 0.000 2.325 277 L HA 0.510 4.851 4.340 0.002 0.000 0.281 277 L C -0.921 175.833 176.870 -0.193 0.000 1.004 277 L CA -0.929 53.660 54.840 -0.418 0.000 0.823 277 L CB 1.283 42.726 42.059 -1.028 0.000 1.236 277 L HN 0.539 nan 8.230 nan 0.000 0.415 278 I N 3.441 124.016 120.570 0.009 0.000 2.339 278 I HA 0.331 4.502 4.170 0.002 0.000 0.290 278 I C 0.001 176.347 176.117 0.382 0.000 0.994 278 I CA -0.563 60.853 61.300 0.195 0.000 1.191 278 I CB 1.569 39.651 38.000 0.136 0.000 1.343 278 I HN 0.570 nan 8.210 nan 0.000 0.458 279 K N 5.830 126.459 120.400 0.382 0.000 2.307 279 K HA 0.302 4.623 4.320 0.002 0.000 0.263 279 K C -0.556 176.135 176.600 0.151 0.000 0.973 279 K CA -0.253 56.182 56.287 0.246 0.000 0.846 279 K CB 0.731 33.401 32.500 0.282 0.000 1.100 279 K HN 0.501 nan 8.250 nan 0.000 0.438 280 D N 3.756 124.200 120.400 0.073 0.000 2.701 280 D HA -0.201 4.440 4.640 0.002 0.000 0.235 280 D C 0.613 176.955 176.300 0.070 0.000 1.155 280 D CA 1.742 55.775 54.000 0.054 0.000 0.649 280 D CB -1.479 39.350 40.800 0.049 0.000 1.050 280 D HN 1.074 nan 8.370 nan 0.000 0.425 281 G N -1.960 106.887 108.800 0.080 0.000 2.168 281 G HA2 -0.122 3.839 3.960 0.002 0.000 0.257 281 G HA3 -0.122 3.839 3.960 0.002 0.000 0.257 281 G C 0.224 175.176 174.900 0.087 0.000 0.997 281 G CA 1.357 46.504 45.100 0.078 0.000 0.708 281 G HN 1.388 nan 8.290 nan 0.000 0.520 282 H N -1.638 117.500 119.070 0.112 0.000 2.747 282 H HA 0.851 5.409 4.556 0.002 0.000 0.371 282 H C -0.048 175.367 175.328 0.145 0.000 1.161 282 H CA -0.475 55.636 56.048 0.104 0.000 1.167 282 H CB 1.602 31.422 29.762 0.097 0.000 1.732 282 H HN 0.895 nan 8.280 nan 0.000 0.544 283 L N 2.649 123.923 121.223 0.086 0.000 2.515 283 L HA 0.142 4.484 4.340 0.002 0.000 0.281 283 L C 0.916 177.919 176.870 0.222 0.000 1.131 283 L CA 0.221 55.125 54.840 0.107 0.000 0.905 283 L CB -0.505 41.525 42.059 -0.048 0.000 1.246 283 L HN 0.884 nan 8.230 nan 0.000 0.463 284 W N 5.559 126.921 121.300 0.103 0.000 2.444 284 W HA 0.326 4.986 4.660 0.001 0.000 0.308 284 W C 0.998 177.623 176.519 0.177 0.000 1.183 284 W CA 1.339 58.768 57.345 0.141 0.000 1.340 284 W CB 0.198 29.755 29.460 0.162 0.000 1.138 284 W HN 0.597 nan 8.180 nan 0.000 0.510 285 G N -0.964 108.072 108.800 0.392 0.000 2.500 285 G HA2 0.478 4.440 3.960 0.002 0.000 0.299 285 G HA3 0.478 4.440 3.960 0.002 0.000 0.299 285 G C -2.126 172.785 174.900 0.018 0.000 1.242 285 G CA -0.898 44.245 45.100 0.072 0.000 0.859 285 G HN 0.009 nan 8.290 nan 0.000 0.481 286 L N 0.033 121.187 121.223 -0.115 0.000 2.482 286 L HA 0.509 4.850 4.340 0.002 0.000 0.263 286 L C -0.784 175.990 176.870 -0.160 0.000 0.957 286 L CA -0.665 54.052 54.840 -0.204 0.000 0.836 286 L CB 2.648 44.520 42.059 -0.311 0.000 1.324 286 L HN 0.410 nan 8.230 nan 0.000 0.406 287 I N 2.603 123.074 120.570 -0.166 0.000 2.322 287 I HA 0.403 4.574 4.170 0.002 0.000 0.292 287 I C 0.389 176.395 176.117 -0.186 0.000 1.060 287 I CA 0.017 61.239 61.300 -0.130 0.000 1.309 287 I CB 1.139 39.092 38.000 -0.077 0.000 1.415 287 I HN 0.618 nan 8.210 nan 0.000 0.492 288 A N 6.722 129.410 122.820 -0.220 0.000 2.258 288 A HA 0.621 4.943 4.320 0.002 0.000 0.316 288 A C -0.621 176.719 177.584 -0.406 0.000 1.279 288 A CA -0.394 51.462 52.037 -0.302 0.000 0.876 288 A CB 0.533 19.324 19.000 -0.349 0.000 1.170 288 A HN 0.779 nan 8.150 nan 0.000 0.520 289 C N 2.118 121.143 119.300 -0.457 0.000 2.382 289 C HA 0.717 5.178 4.460 0.002 0.000 0.327 289 C C 0.098 174.744 174.990 -0.573 0.000 1.250 289 C CA -0.472 58.117 59.018 -0.716 0.000 1.707 289 C CB -0.125 26.887 27.740 -1.213 0.000 2.272 289 C HN 0.952 nan 8.230 nan 0.000 0.506 290 H N 0.650 119.475 119.070 -0.408 0.000 2.690 290 H HA 0.486 5.044 4.556 0.002 0.000 0.368 290 H C -0.748 174.723 175.328 0.239 0.000 1.150 290 H CA -0.568 55.423 56.048 -0.096 0.000 1.174 290 H CB 1.793 31.530 29.762 -0.042 0.000 1.684 290 H HN 0.683 nan 8.280 nan 0.000 0.538 291 H N 1.526 120.819 119.070 0.371 0.000 2.679 291 H HA 0.084 4.641 4.556 0.002 0.000 0.360 291 H C 0.139 175.561 175.328 0.158 0.000 1.105 291 H CA -0.412 55.826 56.048 0.316 0.000 1.196 291 H CB 2.057 32.011 29.762 0.320 0.000 1.636 291 H HN 0.812 nan 8.280 nan 0.000 0.531 292 Q N 1.385 121.134 119.800 -0.085 0.000 2.119 292 Q HA -0.011 4.331 4.340 0.002 0.000 0.201 292 Q C 0.077 176.129 176.000 0.087 0.000 0.972 292 Q CA 1.078 56.873 55.803 -0.014 0.000 0.847 292 Q CB 0.275 28.965 28.738 -0.080 0.000 0.903 292 Q HN 0.475 nan 8.270 nan 0.000 0.433 293 T N 1.876 116.528 114.554 0.163 0.000 2.895 293 T HA 0.335 4.687 4.350 0.002 0.000 0.283 293 T C -2.510 172.371 174.700 0.302 0.000 1.014 293 T CA -1.679 60.561 62.100 0.233 0.000 1.037 293 T CB 1.537 70.529 68.868 0.207 0.000 1.006 293 T HN -0.116 nan 8.240 nan 0.000 0.468 294 P HA 0.149 nan 4.420 nan 0.000 0.267 294 P C -0.565 176.715 177.300 -0.033 0.000 1.195 294 P CA 0.046 63.196 63.100 0.083 0.000 0.773 294 P CB 0.431 32.169 31.700 0.063 0.000 0.837 295 K N 0.960 121.288 120.400 -0.119 0.000 2.557 295 K HA 0.382 4.704 4.320 0.002 0.000 0.261 295 K C -1.357 175.098 176.600 -0.242 0.000 0.932 295 K CA -0.953 55.160 56.287 -0.291 0.000 0.829 295 K CB 1.724 33.868 32.500 -0.594 0.000 1.358 295 K HN 0.222 nan 8.250 nan 0.000 0.430 296 V N 1.986 121.729 119.914 -0.285 0.000 2.432 296 V HA 0.541 4.662 4.120 0.002 0.000 0.271 296 V C -0.535 175.446 176.094 -0.189 0.000 1.046 296 V CA -0.406 61.758 62.300 -0.228 0.000 0.945 296 V CB 0.425 32.002 31.823 -0.410 0.000 0.992 296 V HN 0.549 nan 8.190 nan 0.000 0.471 297 I N 7.421 127.943 120.570 -0.080 0.000 2.428 297 I HA 0.501 4.673 4.170 0.002 0.000 0.279 297 I C -2.201 173.943 176.117 0.045 0.000 1.040 297 I CA -1.876 59.398 61.300 -0.044 0.000 1.171 297 I CB 1.077 39.090 38.000 0.021 0.000 1.312 297 I HN 0.491 nan 8.210 nan 0.000 0.470 298 P HA 0.074 nan 4.420 nan 0.000 0.270 298 P C 0.893 178.274 177.300 0.136 0.000 1.223 298 P CA -0.290 62.903 63.100 0.155 0.000 0.785 298 P CB 0.644 32.449 31.700 0.174 0.000 0.923 299 F N 1.899 121.888 119.950 0.065 0.000 2.091 299 F HA -0.248 4.280 4.527 0.002 0.000 0.299 299 F C 1.896 177.708 175.800 0.020 0.000 1.103 299 F CA 1.858 59.890 58.000 0.054 0.000 1.228 299 F CB -0.251 38.794 39.000 0.074 0.000 0.984 299 F HN 0.276 nan 8.300 nan 0.000 0.477 300 E N 0.454 120.707 120.200 0.089 0.000 2.153 300 E HA -0.209 4.142 4.350 0.002 0.000 0.194 300 E C 2.490 178.889 176.600 -0.334 0.000 0.988 300 E CA 1.030 57.412 56.400 -0.030 0.000 0.811 300 E CB -0.701 29.140 29.700 0.236 0.000 0.746 300 E HN 0.501 nan 8.360 nan 0.000 0.466 301 L N 0.368 121.311 121.223 -0.467 0.000 2.023 301 L HA -0.138 4.203 4.340 0.002 0.000 0.205 301 L C 2.627 179.237 176.870 -0.432 0.000 1.073 301 L CA 1.055 55.416 54.840 -0.798 0.000 0.745 301 L CB -0.074 41.630 42.059 -0.592 0.000 0.900 301 L HN 0.039 nan 8.230 nan 0.000 0.435 302 R N -0.064 120.280 120.500 -0.259 0.000 2.096 302 R HA -0.261 4.081 4.340 0.002 0.000 0.240 302 R C 2.270 178.459 176.300 -0.185 0.000 1.139 302 R CA 1.954 57.957 56.100 -0.163 0.000 0.952 302 R CB -0.191 30.040 30.300 -0.116 0.000 0.854 302 R HN 0.077 nan 8.270 nan 0.000 0.436 303 K N -0.084 120.121 120.400 -0.325 0.000 2.097 303 K HA -0.028 4.294 4.320 0.002 0.000 0.205 303 K C 1.781 178.368 176.600 -0.021 0.000 1.050 303 K CA 1.402 57.546 56.287 -0.239 0.000 0.938 303 K CB -0.206 32.029 32.500 -0.443 0.000 0.718 303 K HN 0.237 nan 8.250 nan 0.000 0.442 304 A N -0.055 122.706 122.820 -0.097 0.000 1.877 304 A HA -0.198 4.123 4.320 0.002 0.000 0.216 304 A C 2.421 180.113 177.584 0.180 0.000 1.186 304 A CA 1.808 53.848 52.037 0.007 0.000 0.620 304 A CB -1.132 17.616 19.000 -0.419 0.000 0.822 304 A HN 0.473 nan 8.150 nan 0.000 0.443 305 C N -0.768 118.555 119.300 0.038 0.000 2.425 305 C HA -0.074 4.387 4.460 0.002 0.000 0.277 305 C C 2.647 177.756 174.990 0.199 0.000 1.280 305 C CA 1.162 60.257 59.018 0.129 0.000 1.744 305 C CB -1.182 26.590 27.740 0.052 0.000 1.989 305 C HN 0.781 nan 8.230 nan 0.000 0.491 306 E N -0.012 120.277 120.200 0.148 0.000 2.028 306 E HA -0.214 4.138 4.350 0.002 0.000 0.191 306 E C 1.961 178.678 176.600 0.195 0.000 0.988 306 E CA 1.102 57.582 56.400 0.133 0.000 0.799 306 E CB -0.335 29.423 29.700 0.096 0.000 0.755 306 E HN 0.593 nan 8.360 nan 0.000 0.447 307 F N 0.464 120.503 119.950 0.147 0.000 2.120 307 F HA -0.225 4.304 4.527 0.002 0.000 0.300 307 F C 1.980 177.887 175.800 0.178 0.000 1.095 307 F CA 1.716 59.806 58.000 0.151 0.000 1.249 307 F CB -0.352 38.762 39.000 0.190 0.000 0.995 307 F HN 0.144 nan 8.300 nan 0.000 0.480 308 F N 0.579 120.698 119.950 0.282 0.000 2.060 308 F HA 0.027 4.556 4.527 0.002 0.000 0.295 308 F C 2.504 178.334 175.800 0.051 0.000 1.120 308 F CA 1.799 59.901 58.000 0.171 0.000 1.205 308 F CB -1.260 37.901 39.000 0.268 0.000 0.986 308 F HN -0.044 nan 8.300 nan 0.000 0.470 309 G N 1.007 109.852 108.800 0.075 0.000 2.556 309 G HA2 -0.316 3.646 3.960 0.002 0.000 0.220 309 G HA3 -0.316 3.646 3.960 0.002 0.000 0.220 309 G C 1.858 176.666 174.900 -0.153 0.000 1.156 309 G CA 1.039 46.095 45.100 -0.073 0.000 0.766 309 G HN 0.269 nan 8.290 nan 0.000 0.583 310 R N 0.001 120.422 120.500 -0.132 0.000 2.092 310 R HA -0.021 4.320 4.340 0.002 0.000 0.231 310 R C 2.734 178.892 176.300 -0.238 0.000 1.119 310 R CA 1.178 57.193 56.100 -0.141 0.000 0.970 310 R CB -1.015 29.180 30.300 -0.175 0.000 0.864 310 R HN 0.414 nan 8.270 nan 0.000 0.440 311 V N 0.697 120.393 119.914 -0.364 0.000 2.427 311 V HA -0.163 3.959 4.120 0.002 0.000 0.248 311 V C 2.557 178.427 176.094 -0.374 0.000 1.051 311 V CA 1.415 63.488 62.300 -0.379 0.000 1.048 311 V CB -0.526 31.086 31.823 -0.352 0.000 0.666 311 V HN 0.010 nan 8.190 nan 0.000 0.456 312 V N -0.808 118.843 119.914 -0.439 0.000 2.379 312 V HA -0.183 3.938 4.120 0.002 0.000 0.245 312 V C 2.205 178.073 176.094 -0.376 0.000 1.044 312 V CA 1.920 63.966 62.300 -0.423 0.000 1.036 312 V CB -0.752 30.819 31.823 -0.421 0.000 0.664 312 V HN 0.518 nan 8.190 nan 0.000 0.453 313 F N 1.093 120.788 119.950 -0.425 0.000 2.216 313 F HA -0.174 4.354 4.527 0.002 0.000 0.300 313 F C 2.675 178.211 175.800 -0.441 0.000 1.085 313 F CA 1.511 59.245 58.000 -0.443 0.000 1.326 313 F CB -0.521 38.239 39.000 -0.401 0.000 1.027 313 F HN 0.112 nan 8.300 nan 0.000 0.497 314 S N 0.217 115.634 115.700 -0.471 0.000 2.370 314 S HA -0.219 4.252 4.470 0.002 0.000 0.226 314 S C 2.017 176.286 174.600 -0.552 0.000 1.033 314 S CA 1.697 59.599 58.200 -0.497 0.000 1.011 314 S CB -0.473 62.524 63.200 -0.338 0.000 0.852 314 S HN 0.523 nan 8.310 nan 0.000 0.457 315 N N 0.893 119.239 118.700 -0.591 0.000 2.244 315 N HA 0.024 4.765 4.740 0.002 0.000 0.183 315 N C 1.782 176.797 175.510 -0.824 0.000 1.016 315 N CA 1.168 53.785 53.050 -0.721 0.000 0.866 315 N CB -0.287 37.608 38.487 -0.987 0.000 0.980 315 N HN 0.467 nan 8.380 nan 0.000 0.430 316 I N 0.380 120.466 120.570 -0.806 0.000 2.163 316 I HA -0.234 3.937 4.170 0.002 0.000 0.240 316 I C 2.586 178.376 176.117 -0.545 0.000 1.081 316 I CA 0.820 61.782 61.300 -0.564 0.000 1.353 316 I CB -0.341 37.427 38.000 -0.387 0.000 1.054 316 I HN 0.071 nan 8.210 nan 0.000 0.407 317 S N 0.704 115.886 115.700 -0.863 0.000 2.370 317 S HA -0.239 4.232 4.470 0.002 0.000 0.226 317 S C 2.213 176.586 174.600 -0.378 0.000 1.033 317 S CA 1.595 59.378 58.200 -0.695 0.000 1.011 317 S CB -0.271 62.414 63.200 -0.859 0.000 0.852 317 S HN 0.465 nan 8.310 nan 0.000 0.457 318 A N 1.093 123.692 122.820 -0.369 0.000 1.883 318 A HA -0.123 4.198 4.320 0.002 0.000 0.217 318 A C 2.297 179.788 177.584 -0.156 0.000 1.186 318 A CA 1.623 53.517 52.037 -0.239 0.000 0.624 318 A CB -0.850 18.007 19.000 -0.239 0.000 0.822 318 A HN 0.571 nan 8.150 nan 0.000 0.444 319 Q N -0.193 119.515 119.800 -0.155 0.000 2.020 319 Q HA -0.215 4.126 4.340 0.002 0.000 0.202 319 Q C 2.147 178.142 176.000 -0.009 0.000 0.982 319 Q CA 2.003 57.778 55.803 -0.046 0.000 0.838 319 Q CB -0.450 28.298 28.738 0.015 0.000 0.899 319 Q HN 0.980 nan 8.270 nan 0.000 0.423 320 E N 0.076 120.269 120.200 -0.013 0.000 2.150 320 E HA -0.190 4.161 4.350 0.002 0.000 0.193 320 E C 1.182 177.810 176.600 0.047 0.000 0.985 320 E CA 1.256 57.688 56.400 0.053 0.000 0.814 320 E CB -0.144 29.628 29.700 0.120 0.000 0.752 320 E HN 0.153 nan 8.360 nan 0.000 0.466 321 D N 0.883 121.282 120.400 -0.002 0.000 2.104 321 D HA -0.180 4.461 4.640 0.002 0.000 0.194 321 D C 2.146 178.480 176.300 0.057 0.000 0.994 321 D CA 2.301 56.309 54.000 0.013 0.000 0.830 321 D CB -0.609 40.162 40.800 -0.049 0.000 0.959 321 D HN 0.385 nan 8.370 nan 0.000 0.452 322 T N -0.322 114.252 114.554 0.034 0.000 2.857 322 T HA -0.118 4.233 4.350 0.002 0.000 0.266 322 T C 1.923 176.705 174.700 0.137 0.000 1.048 322 T CA 1.589 63.736 62.100 0.078 0.000 1.139 322 T CB -0.098 68.786 68.868 0.026 0.000 0.874 322 T HN -0.037 nan 8.240 nan 0.000 0.455 323 E N 0.476 120.735 120.200 0.098 0.000 2.110 323 E HA -0.069 4.282 4.350 0.002 0.000 0.193 323 E C 2.572 179.250 176.600 0.130 0.000 0.988 323 E CA 1.482 57.942 56.400 0.100 0.000 0.804 323 E CB -1.239 28.504 29.700 0.071 0.000 0.745 323 E HN 0.772 nan 8.360 nan 0.000 0.458 324 T N 0.165 114.802 114.554 0.138 0.000 2.708 324 T HA -0.095 4.257 4.350 0.002 0.000 0.266 324 T C 1.531 176.339 174.700 0.180 0.000 1.037 324 T CA 1.403 63.597 62.100 0.158 0.000 1.146 324 T CB -0.460 68.491 68.868 0.138 0.000 0.865 324 T HN 0.406 nan 8.240 nan 0.000 0.435 325 F N 1.569 121.544 119.950 0.041 0.000 2.216 325 F HA -0.084 4.445 4.527 0.002 0.000 0.300 325 F C 2.037 177.850 175.800 0.022 0.000 1.085 325 F CA 1.293 59.304 58.000 0.018 0.000 1.326 325 F CB -0.114 38.886 39.000 0.000 0.000 1.027 325 F HN 0.103 nan 8.300 nan 0.000 0.497 326 D N -1.036 119.424 120.400 0.101 0.000 2.097 326 D HA -0.261 4.380 4.640 0.002 0.000 0.197 326 D C 2.056 178.350 176.300 -0.010 0.000 0.984 326 D CA 1.370 55.383 54.000 0.023 0.000 0.826 326 D CB -0.386 40.471 40.800 0.094 0.000 0.973 326 D HN 0.369 nan 8.370 nan 0.000 0.460 327 Y N 1.395 121.650 120.300 -0.074 0.000 2.224 327 Y HA -0.083 4.468 4.550 0.002 0.000 0.289 327 Y C 2.251 178.075 175.900 -0.126 0.000 1.146 327 Y CA 1.488 59.542 58.100 -0.077 0.000 1.182 327 Y CB -0.306 38.132 38.460 -0.037 0.000 0.983 327 Y HN -0.151 nan 8.280 nan 0.000 0.524 328 R N 0.046 120.410 120.500 -0.228 0.000 2.105 328 R HA -0.151 4.190 4.340 0.002 0.000 0.239 328 R C 2.160 178.214 176.300 -0.409 0.000 1.135 328 R CA 2.120 58.013 56.100 -0.346 0.000 0.967 328 R CB -0.544 29.590 30.300 -0.276 0.000 0.861 328 R HN 0.425 nan 8.270 nan 0.000 0.442 329 V N -1.802 117.838 119.914 -0.456 0.000 2.548 329 V HA -0.152 3.970 4.120 0.002 0.000 0.249 329 V C 2.117 178.022 176.094 -0.316 0.000 1.055 329 V CA 1.296 63.357 62.300 -0.398 0.000 1.065 329 V CB -0.690 30.886 31.823 -0.411 0.000 0.681 329 V HN 0.311 nan 8.190 nan 0.000 0.462 330 Q N 0.342 119.964 119.800 -0.297 0.000 2.029 330 Q HA -0.185 4.156 4.340 0.002 0.000 0.209 330 Q C 2.311 178.037 176.000 -0.457 0.000 0.999 330 Q CA 2.779 58.391 55.803 -0.318 0.000 0.857 330 Q CB -0.366 28.265 28.738 -0.179 0.000 0.926 330 Q HN 0.689 nan 8.270 nan 0.000 0.415 331 L N -0.351 120.625 121.223 -0.412 0.000 2.201 331 L HA -0.134 4.207 4.340 0.002 0.000 0.212 331 L C 2.410 179.153 176.870 -0.212 0.000 1.105 331 L CA 0.710 55.388 54.840 -0.270 0.000 0.775 331 L CB -0.590 41.254 42.059 -0.359 0.000 0.913 331 L HN 0.223 nan 8.230 nan 0.000 0.440 332 A N -0.158 122.510 122.820 -0.253 0.000 1.969 332 A HA -0.215 4.107 4.320 0.002 0.000 0.218 332 A C 2.289 179.775 177.584 -0.164 0.000 1.169 332 A CA 1.497 53.421 52.037 -0.189 0.000 0.635 332 A CB -0.338 18.538 19.000 -0.207 0.000 0.810 332 A HN 0.450 nan 8.150 nan 0.000 0.445 333 E N -0.933 119.126 120.200 -0.234 0.000 2.047 333 E HA -0.224 4.128 4.350 0.002 0.000 0.191 333 E C 1.899 178.426 176.600 -0.122 0.000 0.987 333 E CA 1.041 57.320 56.400 -0.202 0.000 0.799 333 E CB -0.202 29.335 29.700 -0.272 0.000 0.752 333 E HN 0.716 nan 8.360 nan 0.000 0.449 334 H N 0.669 119.705 119.070 -0.057 0.000 2.289 334 H HA -0.171 4.386 4.556 0.002 0.000 0.296 334 H C 2.103 177.413 175.328 -0.031 0.000 1.091 334 H CA 1.738 57.767 56.048 -0.030 0.000 1.274 334 H CB -0.602 29.145 29.762 -0.026 0.000 1.364 334 H HN 0.390 nan 8.280 nan 0.000 0.490 335 E N 0.657 120.903 120.200 0.077 0.000 2.048 335 E HA -0.223 4.128 4.350 0.002 0.000 0.202 335 E C 2.395 178.995 176.600 0.001 0.000 1.021 335 E CA 1.365 57.779 56.400 0.023 0.000 0.825 335 E CB -0.065 29.622 29.700 -0.023 0.000 0.756 335 E HN 0.389 nan 8.360 nan 0.000 0.454 336 A N 0.572 123.379 122.820 -0.022 0.000 1.865 336 A HA -0.191 4.130 4.320 0.002 0.000 0.217 336 A C 2.481 180.046 177.584 -0.031 0.000 1.191 336 A CA 1.913 53.931 52.037 -0.032 0.000 0.623 336 A CB -0.964 18.010 19.000 -0.043 0.000 0.826 336 A HN 0.258 nan 8.150 nan 0.000 0.444 337 V N 0.106 120.006 119.914 -0.023 0.000 2.324 337 V HA -0.308 3.813 4.120 0.002 0.000 0.250 337 V C 2.572 178.608 176.094 -0.096 0.000 1.060 337 V CA 2.146 64.418 62.300 -0.047 0.000 1.042 337 V CB -0.872 30.949 31.823 -0.003 0.000 0.650 337 V HN 0.562 nan 8.190 nan 0.000 0.450 338 L N -1.221 119.976 121.223 -0.042 0.000 2.027 338 L HA -0.146 4.195 4.340 0.002 0.000 0.206 338 L C 2.410 179.259 176.870 -0.035 0.000 1.074 338 L CA 1.068 55.885 54.840 -0.037 0.000 0.745 338 L CB -0.587 41.493 42.059 0.034 0.000 0.898 338 L HN 0.265 nan 8.230 nan 0.000 0.433 339 L N -0.031 121.178 121.223 -0.024 0.000 2.127 339 L HA -0.248 4.094 4.340 0.002 0.000 0.211 339 L C 2.167 179.017 176.870 -0.033 0.000 1.089 339 L CA 1.708 56.532 54.840 -0.027 0.000 0.757 339 L CB -0.812 41.230 42.059 -0.028 0.000 0.899 339 L HN 0.296 nan 8.230 nan 0.000 0.434 340 D N -0.571 119.802 120.400 -0.046 0.000 2.091 340 D HA -0.165 4.476 4.640 0.002 0.000 0.199 340 D C 2.049 178.318 176.300 -0.052 0.000 0.980 340 D CA 1.131 55.103 54.000 -0.046 0.000 0.831 340 D CB 0.193 40.962 40.800 -0.051 0.000 0.987 340 D HN -0.073 nan 8.370 nan 0.000 0.460 341 K N -0.186 120.155 120.400 -0.098 0.000 2.211 341 K HA 0.016 4.337 4.320 0.002 0.000 0.203 341 K C 1.977 178.558 176.600 -0.031 0.000 1.050 341 K CA 0.496 56.719 56.287 -0.107 0.000 0.945 341 K CB -0.393 31.916 32.500 -0.318 0.000 0.732 341 K HN 0.304 nan 8.250 nan 0.000 0.451 342 M N 0.197 119.789 119.600 -0.014 0.000 2.073 342 M HA -0.200 4.282 4.480 0.002 0.000 0.259 342 M C 2.003 178.331 176.300 0.046 0.000 1.079 342 M CA 2.317 57.642 55.300 0.041 0.000 1.131 342 M CB -0.480 32.150 32.600 0.051 0.000 1.316 342 M HN 0.305 nan 8.290 nan 0.000 0.415 343 T N -2.074 112.491 114.554 0.020 0.000 2.652 343 T HA -0.155 4.196 4.350 0.002 0.000 0.267 343 T C 1.599 176.310 174.700 0.019 0.000 1.039 343 T CA 2.216 64.327 62.100 0.017 0.000 1.153 343 T CB -1.434 67.432 68.868 -0.003 0.000 0.863 343 T HN 0.476 nan 8.240 nan 0.000 0.428 344 T N 2.413 116.973 114.554 0.010 0.000 2.821 344 T HA 0.341 4.693 4.350 0.002 0.000 0.267 344 T C 1.366 176.076 174.700 0.018 0.000 1.046 344 T CA 0.731 62.838 62.100 0.010 0.000 1.139 344 T CB -0.685 68.186 68.868 0.005 0.000 0.871 344 T HN 0.796 nan 8.240 nan 0.000 0.454 345 A N 0.975 123.809 122.820 0.023 0.000 2.310 345 A HA 0.727 5.049 4.320 0.002 0.000 0.260 345 A C 1.520 179.119 177.584 0.026 0.000 1.112 345 A CA -0.019 52.034 52.037 0.027 0.000 0.804 345 A CB -0.351 18.670 19.000 0.034 0.000 1.081 345 A HN 0.382 nan 8.150 nan 0.000 0.499 346 A N -0.163 122.668 122.820 0.018 0.000 3.289 346 A HA 0.191 4.513 4.320 0.002 0.000 0.157 346 A C 0.812 178.403 177.584 0.012 0.000 1.293 346 A CA 0.971 53.017 52.037 0.016 0.000 0.896 346 A CB -0.901 18.103 19.000 0.006 0.000 0.998 346 A HN 0.866 nan 8.150 nan 0.000 0.519 347 D N -0.071 120.311 120.400 -0.029 0.000 2.583 347 D HA 0.017 4.659 4.640 0.002 0.000 0.232 347 D C 1.116 177.335 176.300 -0.134 0.000 1.128 347 D CA 0.341 54.275 54.000 -0.110 0.000 0.859 347 D CB 0.161 40.847 40.800 -0.191 0.000 1.169 347 D HN 0.343 nan 8.370 nan 0.000 0.481 348 F N 2.610 122.506 119.950 -0.091 0.000 2.161 348 F HA -0.201 4.327 4.527 0.003 0.000 0.300 348 F C 1.783 177.522 175.800 -0.101 0.000 1.089 348 F CA 0.514 58.449 58.000 -0.108 0.000 1.282 348 F CB -0.900 38.002 39.000 -0.163 0.000 1.010 348 F HN 0.194 nan 8.300 nan 0.000 0.485 349 V N 0.955 120.339 119.914 -0.884 0.000 2.469 349 V HA -0.297 3.824 4.120 0.002 0.000 0.251 349 V C 2.615 178.589 176.094 -0.200 0.000 1.064 349 V CA 2.245 64.225 62.300 -0.532 0.000 1.066 349 V CB -0.873 30.585 31.823 -0.609 0.000 0.667 349 V HN 0.559 nan 8.190 nan 0.000 0.461 350 E N 0.482 120.585 120.200 -0.162 0.000 2.051 350 E HA -0.187 4.165 4.350 0.002 0.000 0.192 350 E C 2.332 178.939 176.600 0.011 0.000 0.991 350 E CA 1.429 57.793 56.400 -0.060 0.000 0.799 350 E CB -0.432 29.240 29.700 -0.046 0.000 0.748 350 E HN 0.576 nan 8.360 nan 0.000 0.449 351 G N 1.386 110.204 108.800 0.030 0.000 2.440 351 G HA2 -0.248 3.713 3.960 0.002 0.000 0.218 351 G HA3 -0.248 3.713 3.960 0.002 0.000 0.218 351 G C 1.626 176.599 174.900 0.123 0.000 1.154 351 G CA 0.815 45.965 45.100 0.084 0.000 0.767 351 G HN 0.201 nan 8.290 nan 0.000 0.552 352 L N 1.041 122.316 121.223 0.087 0.000 2.046 352 L HA -0.079 4.262 4.340 0.002 0.000 0.208 352 L C 3.348 180.277 176.870 0.099 0.000 1.077 352 L CA 1.787 56.686 54.840 0.098 0.000 0.747 352 L CB -0.946 41.167 42.059 0.090 0.000 0.896 352 L HN 0.432 nan 8.230 nan 0.000 0.432 353 T N -3.794 110.794 114.554 0.056 0.000 2.904 353 T HA -0.073 4.278 4.350 0.002 0.000 0.267 353 T C 1.603 176.326 174.700 0.038 0.000 1.059 353 T CA 0.964 63.084 62.100 0.033 0.000 1.137 353 T CB -0.382 68.484 68.868 -0.004 0.000 0.879 353 T HN 0.175 nan 8.240 nan 0.000 0.467 354 N N 1.480 120.217 118.700 0.062 0.000 2.550 354 N HA -0.011 4.730 4.740 0.002 0.000 0.186 354 N C -0.288 175.097 175.510 -0.209 0.000 1.110 354 N CA 0.641 53.672 53.050 -0.032 0.000 0.912 354 N CB -0.239 38.243 38.487 -0.007 0.000 0.968 354 N HN 0.646 nan 8.380 nan 0.000 0.448 355 H N -1.020 118.062 119.070 0.020 0.000 2.336 355 H HA 0.212 4.769 4.556 0.002 0.000 0.230 355 H C -1.581 173.764 175.328 0.028 0.000 1.426 355 H CA -1.497 54.567 56.048 0.027 0.000 1.359 355 H CB 1.250 31.033 29.762 0.035 0.000 1.555 355 H HN 0.050 nan 8.280 nan 0.000 0.512 356 P HA -0.198 nan 4.420 nan 0.000 0.214 356 P C 1.113 178.451 177.300 0.063 0.000 1.162 356 P CA 1.360 64.499 63.100 0.064 0.000 0.879 356 P CB 0.487 32.208 31.700 0.035 0.000 0.786 357 D N 0.415 120.842 120.400 0.045 0.000 2.248 357 D HA -0.255 4.387 4.640 0.002 0.000 0.189 357 D C 1.794 178.064 176.300 -0.050 0.000 1.011 357 D CA 1.477 55.489 54.000 0.019 0.000 0.868 357 D CB -0.835 39.988 40.800 0.040 0.000 0.931 357 D HN 0.157 nan 8.370 nan 0.000 0.449 358 R N 0.100 120.603 120.500 0.004 0.000 2.062 358 R HA 0.023 4.365 4.340 0.002 0.000 0.229 358 R C 2.618 178.892 176.300 -0.043 0.000 1.128 358 R CA 0.250 56.312 56.100 -0.063 0.000 0.960 358 R CB -1.141 29.220 30.300 0.100 0.000 0.855 358 R HN 0.279 nan 8.270 nan 0.000 0.432 359 L N 1.075 122.350 121.223 0.087 0.000 2.042 359 L HA -0.137 4.205 4.340 0.002 0.000 0.210 359 L C 2.012 179.061 176.870 0.299 0.000 1.076 359 L CA 1.564 56.525 54.840 0.201 0.000 0.749 359 L CB -0.587 41.572 42.059 0.167 0.000 0.893 359 L HN 0.019 nan 8.230 nan 0.000 0.432 360 L N -0.281 121.050 121.223 0.180 0.000 2.056 360 L HA -0.013 4.328 4.340 0.002 0.000 0.207 360 L C 2.524 179.443 176.870 0.082 0.000 1.078 360 L CA 1.904 56.870 54.840 0.210 0.000 0.749 360 L CB -1.690 40.450 42.059 0.136 0.000 0.901 360 L HN 0.369 nan 8.230 nan 0.000 0.433 361 G N -1.224 107.490 108.800 -0.144 0.000 2.421 361 G HA2 -0.230 3.732 3.960 0.002 0.000 0.217 361 G HA3 -0.230 3.732 3.960 0.002 0.000 0.217 361 G C 1.635 176.445 174.900 -0.149 0.000 1.143 361 G CA 0.525 45.436 45.100 -0.315 0.000 0.784 361 G HN 0.300 nan 8.290 nan 0.000 0.541 362 L N 1.806 122.959 121.223 -0.117 0.000 2.089 362 L HA -0.084 4.258 4.340 0.002 0.000 0.213 362 L C 2.492 179.268 176.870 -0.156 0.000 1.079 362 L CA 2.587 57.411 54.840 -0.026 0.000 0.758 362 L CB -0.309 41.764 42.059 0.023 0.000 0.891 362 L HN 0.368 nan 8.230 nan 0.000 0.433 363 T N -4.827 109.593 114.554 -0.224 0.000 3.231 363 T HA 0.455 4.806 4.350 0.002 0.000 0.292 363 T C 1.002 175.716 174.700 0.023 0.000 1.001 363 T CA 0.069 62.039 62.100 -0.217 0.000 0.920 363 T CB -0.060 68.456 68.868 -0.587 0.000 1.140 363 T HN 0.565 nan 8.240 nan 0.000 0.525 364 G N 1.076 109.910 108.800 0.057 0.000 2.273 364 G HA2 -0.202 3.759 3.960 0.002 0.000 0.280 364 G HA3 -0.202 3.759 3.960 0.002 0.000 0.280 364 G C -0.025 174.906 174.900 0.052 0.000 1.047 364 G CA 0.204 45.363 45.100 0.099 0.000 0.869 364 G HN 0.764 nan 8.290 nan 0.000 0.502 365 S N -1.450 114.320 115.700 0.117 0.000 2.689 365 S HA 0.644 5.116 4.470 0.002 0.000 0.306 365 S C 0.732 175.444 174.600 0.187 0.000 1.104 365 S CA -0.639 57.670 58.200 0.182 0.000 0.973 365 S CB 1.761 65.206 63.200 0.408 0.000 1.121 365 S HN 0.237 nan 8.310 nan 0.000 0.523 366 Q N 0.081 120.003 119.800 0.204 0.000 2.281 366 Q HA 0.432 4.773 4.340 0.002 0.000 0.215 366 Q C 0.569 176.691 176.000 0.203 0.000 0.867 366 Q CA 0.160 56.062 55.803 0.166 0.000 0.940 366 Q CB 1.041 29.855 28.738 0.126 0.000 1.111 366 Q HN 0.784 nan 8.270 nan 0.000 0.513 367 G N -1.116 107.867 108.800 0.305 0.000 2.623 367 G HA2 0.798 4.759 3.960 0.002 0.000 0.290 367 G HA3 0.798 4.759 3.960 0.002 0.000 0.290 367 G C -1.774 173.375 174.900 0.415 0.000 1.437 367 G CA -0.144 45.159 45.100 0.339 0.000 0.798 367 G HN 0.102 nan 8.290 nan 0.000 0.488 368 A N -1.178 121.842 122.820 0.334 0.000 2.599 368 A HA 1.064 5.386 4.320 0.002 0.000 0.290 368 A C -0.901 176.755 177.584 0.120 0.000 1.101 368 A CA 0.022 52.068 52.037 0.014 0.000 0.674 368 A CB 1.319 20.149 19.000 -0.282 0.000 1.277 368 A HN 2.528 nan 8.150 nan 0.000 0.419 369 A N 0.217 122.979 122.820 -0.097 0.000 2.488 369 A HA 0.720 5.041 4.320 0.002 0.000 0.298 369 A C -1.254 176.265 177.584 -0.109 0.000 1.044 369 A CA -0.285 51.758 52.037 0.010 0.000 0.693 369 A CB 0.765 19.878 19.000 0.189 0.000 1.272 369 A HN 0.874 nan 8.150 nan 0.000 0.402 370 I N 1.632 122.178 120.570 -0.040 0.000 2.328 370 I HA 0.332 4.504 4.170 0.002 0.000 0.287 370 I C -0.384 175.778 176.117 0.076 0.000 1.012 370 I CA -0.347 60.952 61.300 -0.002 0.000 1.195 370 I CB 1.513 39.511 38.000 -0.004 0.000 1.350 370 I HN 0.604 nan 8.210 nan 0.000 0.464 371 C N 7.993 127.379 119.300 0.143 0.000 2.258 371 C HA 0.609 5.070 4.460 0.002 0.000 0.321 371 C C -0.765 174.381 174.990 0.261 0.000 1.168 371 C CA -0.462 58.661 59.018 0.175 0.000 1.531 371 C CB -0.758 27.099 27.740 0.194 0.000 2.095 371 C HN 0.675 nan 8.230 nan 0.000 0.449 372 F N 4.765 124.746 119.950 0.051 0.000 2.569 372 F HA 0.664 5.192 4.527 0.002 0.000 0.312 372 F C 0.817 176.634 175.800 0.028 0.000 1.109 372 F CA 1.162 59.202 58.000 0.067 0.000 0.919 372 F CB 1.740 40.802 39.000 0.102 0.000 1.211 372 F HN 0.930 nan 8.300 nan 0.000 0.446 373 G N 4.333 112.885 108.800 -0.413 0.000 2.685 373 G HA2 -0.328 3.633 3.960 0.002 0.000 0.329 373 G HA3 -0.328 3.633 3.960 0.002 0.000 0.329 373 G C 0.734 175.577 174.900 -0.095 0.000 1.271 373 G CA 0.858 45.822 45.100 -0.227 0.000 1.003 373 G HN 0.614 nan 8.290 nan 0.000 0.549 374 E N 1.581 121.755 120.200 -0.042 0.000 2.476 374 E HA 0.089 4.440 4.350 0.002 0.000 0.199 374 E C 1.149 177.742 176.600 -0.012 0.000 1.021 374 E CA 0.702 57.081 56.400 -0.035 0.000 0.907 374 E CB 0.374 30.051 29.700 -0.038 0.000 0.974 374 E HN 0.731 nan 8.360 nan 0.000 0.489 375 K N 1.165 121.572 120.400 0.012 0.000 2.159 375 K HA 0.365 4.687 4.320 0.002 0.000 0.266 375 K C -0.387 176.230 176.600 0.028 0.000 0.975 375 K CA -0.599 55.695 56.287 0.012 0.000 0.865 375 K CB 1.827 34.330 32.500 0.004 0.000 1.087 375 K HN -0.140 nan 8.250 nan 0.000 0.446 376 L N 5.376 126.606 121.223 0.013 0.000 2.377 376 L HA 0.390 4.731 4.340 0.002 0.000 0.270 376 L C -1.444 175.431 176.870 0.008 0.000 0.991 376 L CA -0.765 54.088 54.840 0.021 0.000 0.851 376 L CB 1.302 43.368 42.059 0.011 0.000 1.218 376 L HN 0.754 nan 8.230 nan 0.000 0.420 377 I N 5.649 126.226 120.570 0.011 0.000 2.354 377 I HA 0.365 4.537 4.170 0.002 0.000 0.292 377 I C -0.063 176.061 176.117 0.012 0.000 0.989 377 I CA -0.724 60.576 61.300 0.000 0.000 1.188 377 I CB 1.792 39.785 38.000 -0.012 0.000 1.342 377 I HN 0.325 nan 8.210 nan 0.000 0.457 378 L N 6.897 128.126 121.223 0.010 0.000 2.322 378 L HA 0.639 4.980 4.340 0.002 0.000 0.279 378 L C 0.055 176.940 176.870 0.025 0.000 1.036 378 L CA -0.727 54.130 54.840 0.027 0.000 0.807 378 L CB 1.720 43.776 42.059 -0.004 0.000 1.226 378 L HN 0.205 nan 8.230 nan 0.000 0.433 379 V N 0.840 120.786 119.914 0.053 0.000 2.760 379 V HA 0.829 4.951 4.120 0.002 0.000 0.309 379 V C 0.466 176.608 176.094 0.080 0.000 1.077 379 V CA 0.009 62.340 62.300 0.051 0.000 0.910 379 V CB 1.473 33.322 31.823 0.044 0.000 1.008 379 V HN 1.062 nan 8.190 nan 0.000 0.424 380 G N 3.801 112.637 108.800 0.060 0.000 2.569 380 G HA2 -0.158 3.803 3.960 0.002 0.000 0.259 380 G HA3 -0.158 3.803 3.960 0.002 0.000 0.259 380 G C -0.314 174.618 174.900 0.054 0.000 1.263 380 G CA -0.189 44.952 45.100 0.069 0.000 0.928 380 G HN 0.712 nan 8.290 nan 0.000 0.572 381 E N 2.096 122.336 120.200 0.067 0.000 2.003 381 E HA 0.433 4.784 4.350 0.002 0.000 0.279 381 E C 0.919 177.520 176.600 0.001 0.000 1.132 381 E CA 0.713 57.133 56.400 0.033 0.000 0.888 381 E CB 0.422 30.151 29.700 0.048 0.000 1.056 381 E HN 0.878 nan 8.360 nan 0.000 0.399 382 T N 0.022 114.508 114.554 -0.115 0.000 2.940 382 T HA 0.658 5.010 4.350 0.002 0.000 0.288 382 T C -2.561 171.884 174.700 -0.425 0.000 1.045 382 T CA -2.514 59.348 62.100 -0.396 0.000 1.018 382 T CB 1.688 70.326 68.868 -0.384 0.000 1.151 382 T HN -0.053 nan 8.240 nan 0.000 0.529 383 P HA 0.228 nan 4.420 nan 0.000 0.270 383 P C -0.442 176.612 177.300 -0.410 0.000 1.223 383 P CA -0.219 62.516 63.100 -0.607 0.000 0.785 383 P CB 0.091 31.079 31.700 -1.186 0.000 0.923 384 D N -0.815 119.427 120.400 -0.263 0.000 2.362 384 D HA -0.060 4.581 4.640 0.002 0.000 0.238 384 D C 1.132 177.339 176.300 -0.155 0.000 1.212 384 D CA -0.186 53.719 54.000 -0.157 0.000 0.902 384 D CB 0.326 41.077 40.800 -0.082 0.000 1.180 384 D HN 0.459 nan 8.370 nan 0.000 0.445 385 E N 0.176 120.315 120.200 -0.101 0.000 2.058 385 E HA -0.323 4.028 4.350 0.002 0.000 0.194 385 E C 1.812 178.362 176.600 -0.084 0.000 0.997 385 E CA 1.793 58.141 56.400 -0.086 0.000 0.801 385 E CB -0.031 29.632 29.700 -0.061 0.000 0.746 385 E HN 0.666 nan 8.360 nan 0.000 0.450 386 K N 0.029 120.392 120.400 -0.061 0.000 2.097 386 K HA -0.053 4.268 4.320 0.002 0.000 0.206 386 K C 2.114 178.730 176.600 0.027 0.000 1.049 386 K CA 1.326 57.577 56.287 -0.060 0.000 0.933 386 K CB -0.284 32.218 32.500 0.004 0.000 0.717 386 K HN 0.077 nan 8.250 nan 0.000 0.442 387 A N 1.889 124.731 122.820 0.036 0.000 1.858 387 A HA -0.125 4.196 4.320 0.002 0.000 0.216 387 A C 2.458 180.023 177.584 -0.031 0.000 1.190 387 A CA 1.751 53.815 52.037 0.044 0.000 0.617 387 A CB -0.982 17.903 19.000 -0.191 0.000 0.827 387 A HN 0.255 nan 8.150 nan 0.000 0.443 388 V N -0.318 119.502 119.914 -0.157 0.000 2.490 388 V HA -0.284 3.838 4.120 0.002 0.000 0.250 388 V C 2.311 178.405 176.094 -0.000 0.000 1.061 388 V CA 2.841 65.089 62.300 -0.087 0.000 1.064 388 V CB -0.594 31.182 31.823 -0.078 0.000 0.670 388 V HN 0.728 nan 8.190 nan 0.000 0.461 389 Q N -1.508 118.271 119.800 -0.036 0.000 2.119 389 Q HA -0.182 4.159 4.340 0.002 0.000 0.201 389 Q C 2.068 178.041 176.000 -0.045 0.000 0.972 389 Q CA 2.207 57.967 55.803 -0.071 0.000 0.847 389 Q CB -0.230 28.408 28.738 -0.167 0.000 0.903 389 Q HN 0.821 nan 8.270 nan 0.000 0.433 390 Y N -0.444 119.895 120.300 0.066 0.000 2.293 390 Y HA -0.168 4.384 4.550 0.002 0.000 0.291 390 Y C 1.828 177.812 175.900 0.140 0.000 1.137 390 Y CA 0.723 58.900 58.100 0.128 0.000 1.202 390 Y CB -0.140 38.425 38.460 0.175 0.000 0.990 390 Y HN 0.197 nan 8.280 nan 0.000 0.537 391 L N -0.972 120.373 121.223 0.202 0.000 2.056 391 L HA -0.150 4.191 4.340 0.002 0.000 0.207 391 L C 2.008 178.883 176.870 0.008 0.000 1.078 391 L CA 1.348 56.170 54.840 -0.030 0.000 0.749 391 L CB -0.767 41.264 42.059 -0.046 0.000 0.901 391 L HN 0.112 nan 8.230 nan 0.000 0.433 392 L N -0.657 120.567 121.223 0.002 0.000 2.131 392 L HA -0.193 4.148 4.340 0.002 0.000 0.210 392 L C 2.540 179.398 176.870 -0.020 0.000 1.092 392 L CA 1.665 56.457 54.840 -0.081 0.000 0.759 392 L CB -0.924 41.137 42.059 0.002 0.000 0.903 392 L HN 0.446 nan 8.230 nan 0.000 0.435 393 Q N -1.874 117.979 119.800 0.088 0.000 2.123 393 Q HA -0.250 4.092 4.340 0.002 0.000 0.199 393 Q C 2.087 178.170 176.000 0.139 0.000 0.966 393 Q CA 1.735 57.618 55.803 0.134 0.000 0.845 393 Q CB -0.561 28.294 28.738 0.195 0.000 0.907 393 Q HN 0.509 nan 8.270 nan 0.000 0.439 394 W N -0.259 121.018 121.300 -0.037 0.000 2.355 394 W HA -0.188 4.473 4.660 0.002 0.000 0.309 394 W C 1.304 177.705 176.519 -0.197 0.000 1.206 394 W CA 1.152 58.443 57.345 -0.091 0.000 1.284 394 W CB -0.350 28.989 29.460 -0.202 0.000 1.145 394 W HN 0.240 nan 8.180 nan 0.000 0.502 395 L N 1.017 122.140 121.223 -0.167 0.000 2.043 395 L HA -0.231 4.110 4.340 0.002 0.000 0.212 395 L C 2.319 179.009 176.870 -0.300 0.000 1.075 395 L CA 2.057 56.617 54.840 -0.467 0.000 0.752 395 L CB -1.534 40.050 42.059 -0.793 0.000 0.891 395 L HN 0.152 nan 8.230 nan 0.000 0.432 396 E N -0.855 119.276 120.200 -0.115 0.000 2.046 396 E HA -0.171 4.180 4.350 0.002 0.000 0.190 396 E C 1.949 178.516 176.600 -0.055 0.000 0.982 396 E CA 1.088 57.511 56.400 0.039 0.000 0.800 396 E CB -0.154 29.633 29.700 0.145 0.000 0.756 396 E HN 0.610 nan 8.360 nan 0.000 0.449 397 N N 0.413 119.057 118.700 -0.093 0.000 2.223 397 N HA -0.133 4.608 4.740 0.002 0.000 0.185 397 N C 1.539 176.923 175.510 -0.210 0.000 1.016 397 N CA 0.525 53.508 53.050 -0.112 0.000 0.863 397 N CB 0.057 38.502 38.487 -0.071 0.000 0.983 397 N HN -0.087 nan 8.380 nan 0.000 0.429 398 R N 1.108 121.384 120.500 -0.375 0.000 2.310 398 R HA 0.054 4.396 4.340 0.002 0.000 0.202 398 R C -0.420 175.720 176.300 -0.267 0.000 0.933 398 R CA 0.006 55.852 56.100 -0.422 0.000 1.054 398 R CB 0.141 29.969 30.300 -0.787 0.000 0.985 398 R HN 0.066 nan 8.270 nan 0.000 0.489 399 E N -0.149 119.947 120.200 -0.173 0.000 2.240 399 E HA -0.167 4.184 4.350 0.002 0.000 0.194 399 E C -1.266 175.287 176.600 -0.078 0.000 1.385 399 E CA 0.167 56.509 56.400 -0.097 0.000 0.686 399 E CB -0.986 28.663 29.700 -0.085 0.000 1.125 399 E HN 0.007 nan 8.360 nan 0.000 0.359 400 V N 2.940 122.829 119.914 -0.041 0.000 2.470 400 V HA 0.052 4.173 4.120 0.002 0.000 0.276 400 V C 1.473 177.604 176.094 0.061 0.000 1.040 400 V CA 0.715 63.030 62.300 0.024 0.000 1.008 400 V CB 1.390 33.267 31.823 0.090 0.000 0.990 400 V HN 0.557 nan 8.190 nan 0.000 0.477 401 Q N 1.623 121.443 119.800 0.035 0.000 2.477 401 Q HA 0.038 4.379 4.340 0.002 0.000 0.252 401 Q C 0.805 176.826 176.000 0.035 0.000 0.869 401 Q CA 0.058 55.868 55.803 0.011 0.000 0.969 401 Q CB 0.550 29.281 28.738 -0.011 0.000 1.144 401 Q HN 0.841 nan 8.270 nan 0.000 0.577 402 D N -0.128 120.309 120.400 0.063 0.000 2.119 402 D HA 0.046 4.687 4.640 0.002 0.000 0.231 402 D C 0.021 176.387 176.300 0.110 0.000 0.999 402 D CA 0.897 54.942 54.000 0.075 0.000 0.915 402 D CB 0.330 41.178 40.800 0.081 0.000 1.017 402 D HN -0.099 nan 8.370 nan 0.000 0.437 403 V N -0.129 119.883 119.914 0.164 0.000 2.871 403 V HA 0.189 4.310 4.120 0.002 0.000 0.283 403 V C -1.786 174.486 176.094 0.296 0.000 1.422 403 V CA -0.899 61.523 62.300 0.204 0.000 0.943 403 V CB 2.291 34.196 31.823 0.137 0.000 1.125 403 V HN 0.181 nan 8.190 nan 0.000 0.440 404 F N 7.664 127.702 119.950 0.146 0.000 2.482 404 F HA 0.926 5.455 4.527 0.002 0.000 0.331 404 F C -0.857 175.024 175.800 0.134 0.000 1.115 404 F CA -1.015 57.050 58.000 0.108 0.000 0.955 404 F CB 1.433 40.473 39.000 0.067 0.000 1.136 404 F HN 0.473 nan 8.300 nan 0.000 0.452 405 F N 2.484 121.909 119.950 -0.875 0.000 2.613 405 F HA 0.786 5.314 4.527 0.002 0.000 0.310 405 F C -1.175 174.171 175.800 -0.755 0.000 1.085 405 F CA -0.863 56.629 58.000 -0.846 0.000 0.945 405 F CB 1.964 40.482 39.000 -0.804 0.000 1.298 405 F HN 0.524 nan 8.300 nan 0.000 0.455 406 T N 0.478 114.858 114.554 -0.289 0.000 2.982 406 T HA 0.277 4.629 4.350 0.002 0.000 0.321 406 T C -0.292 174.649 174.700 0.402 0.000 1.229 406 T CA -0.153 61.922 62.100 -0.042 0.000 1.044 406 T CB 1.874 70.696 68.868 -0.077 0.000 1.184 406 T HN 0.888 nan 8.240 nan 0.000 0.477 407 S N 2.305 118.199 115.700 0.323 0.000 2.528 407 S HA 0.270 4.741 4.470 0.002 0.000 0.219 407 S C 0.566 175.263 174.600 0.161 0.000 0.985 407 S CA 0.340 58.688 58.200 0.247 0.000 0.914 407 S CB -0.037 63.256 63.200 0.156 0.000 0.776 407 S HN 0.620 nan 8.310 nan 0.000 0.526 408 S N 1.003 116.794 115.700 0.152 0.000 2.383 408 S HA 0.327 4.798 4.470 0.002 0.000 0.196 408 S C 0.151 174.828 174.600 0.128 0.000 1.364 408 S CA -0.594 57.675 58.200 0.116 0.000 1.212 408 S CB 0.450 63.697 63.200 0.077 0.000 1.171 408 S HN 0.313 nan 8.310 nan 0.000 0.456 409 L N 4.051 125.370 121.223 0.160 0.000 2.131 409 L HA 0.065 4.406 4.340 0.002 0.000 0.210 409 L C 2.180 179.098 176.870 0.079 0.000 1.092 409 L CA 2.016 56.958 54.840 0.170 0.000 0.759 409 L CB -0.878 41.319 42.059 0.230 0.000 0.903 409 L HN 0.637 nan 8.230 nan 0.000 0.435 410 S N -0.100 115.606 115.700 0.010 0.000 2.378 410 S HA -0.312 4.160 4.470 0.002 0.000 0.229 410 S C 1.696 176.279 174.600 -0.028 0.000 1.052 410 S CA 2.024 60.187 58.200 -0.063 0.000 1.084 410 S CB -0.426 62.736 63.200 -0.063 0.000 0.950 410 S HN 0.766 nan 8.310 nan 0.000 0.440 411 Q N 0.579 120.396 119.800 0.027 0.000 2.451 411 Q HA 0.142 4.483 4.340 0.002 0.000 0.206 411 Q C 1.895 177.949 176.000 0.089 0.000 0.947 411 Q CA 0.732 56.561 55.803 0.043 0.000 0.937 411 Q CB -0.338 28.430 28.738 0.050 0.000 1.025 411 Q HN 0.783 nan 8.270 nan 0.000 0.511 412 I N -4.439 116.213 120.570 0.136 0.000 4.139 412 I HA 0.234 4.406 4.170 0.002 0.000 0.320 412 I C 0.031 176.278 176.117 0.216 0.000 1.290 412 I CA -0.241 61.203 61.300 0.240 0.000 1.253 412 I CB 0.439 38.678 38.000 0.400 0.000 1.122 412 I HN -0.043 nan 8.210 nan 0.000 0.421 413 Y N 3.883 124.072 120.300 -0.185 0.000 2.749 413 Y HA 0.469 5.020 4.550 0.002 0.000 0.343 413 Y C -2.118 173.603 175.900 -0.298 0.000 1.015 413 Y CA -2.013 55.802 58.100 -0.474 0.000 1.270 413 Y CB 1.014 38.919 38.460 -0.925 0.000 1.097 413 Y HN -0.126 nan 8.280 nan 0.000 0.571 414 P HA -0.210 nan 4.420 nan 0.000 0.216 414 P C 0.947 177.982 177.300 -0.441 0.000 1.154 414 P CA 1.788 64.699 63.100 -0.315 0.000 0.865 414 P CB 0.448 32.011 31.700 -0.228 0.000 0.789 415 D N -0.905 119.079 120.400 -0.694 0.000 2.218 415 D HA -0.103 4.539 4.640 0.002 0.000 0.204 415 D C 1.848 177.786 176.300 -0.603 0.000 0.976 415 D CA 1.238 54.875 54.000 -0.604 0.000 0.853 415 D CB -0.775 39.628 40.800 -0.662 0.000 0.939 415 D HN 0.102 nan 8.370 nan 0.000 0.481 416 A N 0.479 122.882 122.820 -0.695 0.000 2.178 416 A HA -0.108 4.213 4.320 0.002 0.000 0.218 416 A C 2.265 179.322 177.584 -0.879 0.000 1.157 416 A CA 0.679 52.132 52.037 -0.975 0.000 0.689 416 A CB -0.565 18.241 19.000 -0.323 0.000 0.787 416 A HN 0.207 nan 8.150 nan 0.000 0.465 417 V N 0.554 120.167 119.914 -0.502 0.000 2.594 417 V HA -0.200 3.922 4.120 0.002 0.000 0.253 417 V C 1.734 177.656 176.094 -0.287 0.000 1.069 417 V CA 2.365 64.475 62.300 -0.316 0.000 1.082 417 V CB -0.739 30.960 31.823 -0.207 0.000 0.680 417 V HN 0.619 nan 8.190 nan 0.000 0.469 418 N N 0.569 119.075 118.700 -0.323 0.000 2.512 418 N HA -0.004 4.737 4.740 0.002 0.000 0.183 418 N C 0.761 176.260 175.510 -0.018 0.000 1.073 418 N CA 1.234 54.202 53.050 -0.137 0.000 0.911 418 N CB -0.122 38.332 38.487 -0.054 0.000 0.964 418 N HN 0.821 nan 8.380 nan 0.000 0.447 419 F N -0.900 119.042 119.950 -0.012 0.000 2.841 419 F HA 0.471 4.999 4.527 0.002 0.000 0.358 419 F C 1.383 177.189 175.800 0.010 0.000 1.261 419 F CA -0.912 57.083 58.000 -0.009 0.000 1.233 419 F CB 0.010 38.996 39.000 -0.023 0.000 1.008 419 F HN -0.258 nan 8.300 nan 0.000 0.507 420 K N 0.685 121.052 120.400 -0.055 0.000 2.209 420 K HA -0.160 4.161 4.320 0.002 0.000 0.204 420 K C 1.788 178.428 176.600 0.066 0.000 1.048 420 K CA 1.733 58.013 56.287 -0.012 0.000 0.940 420 K CB -0.561 31.904 32.500 -0.058 0.000 0.729 420 K HN 0.410 nan 8.250 nan 0.000 0.451 421 S N 0.271 116.012 115.700 0.068 0.000 2.383 421 S HA -0.103 4.368 4.470 0.002 0.000 0.229 421 S C 1.811 176.465 174.600 0.090 0.000 1.030 421 S CA 1.409 59.648 58.200 0.066 0.000 1.002 421 S CB -0.081 63.150 63.200 0.052 0.000 0.829 421 S HN 0.288 nan 8.310 nan 0.000 0.467 422 V N -0.517 119.477 119.914 0.135 0.000 3.379 422 V HA 0.652 4.773 4.120 0.002 0.000 0.249 422 V C 0.544 176.755 176.094 0.194 0.000 1.184 422 V CA 0.811 63.184 62.300 0.122 0.000 1.106 422 V CB 0.788 32.639 31.823 0.046 0.000 0.826 422 V HN 0.524 nan 8.190 nan 0.000 0.465 423 A N -1.208 121.797 122.820 0.308 0.000 3.409 423 A HA 0.515 4.837 4.320 0.002 0.000 0.282 423 A C 0.858 178.661 177.584 0.365 0.000 1.064 423 A CA 0.323 52.617 52.037 0.429 0.000 0.889 423 A CB 0.710 20.035 19.000 0.540 0.000 1.251 423 A HN 0.154 nan 8.150 nan 0.000 0.538 424 S N 0.036 115.878 115.700 0.237 0.000 2.414 424 S HA 0.128 4.600 4.470 0.002 0.000 0.227 424 S C 1.220 175.961 174.600 0.237 0.000 1.022 424 S CA 1.148 59.450 58.200 0.170 0.000 0.958 424 S CB 0.207 63.465 63.200 0.097 0.000 0.797 424 S HN 0.949 nan 8.310 nan 0.000 0.493 425 G N 0.904 109.884 108.800 0.300 0.000 2.388 425 G HA2 0.621 4.582 3.960 0.002 0.000 0.330 425 G HA3 0.621 4.582 3.960 0.002 0.000 0.330 425 G C -1.527 173.772 174.900 0.664 0.000 1.142 425 G CA -0.329 45.046 45.100 0.458 0.000 0.908 425 G HN 0.224 nan 8.290 nan 0.000 0.473 426 L N 2.036 123.687 121.223 0.713 0.000 2.476 426 L HA 0.583 4.925 4.340 0.002 0.000 0.269 426 L C -1.216 175.695 176.870 0.069 0.000 0.965 426 L CA -0.716 54.403 54.840 0.465 0.000 0.845 426 L CB 1.946 44.246 42.059 0.403 0.000 1.259 426 L HN 0.490 nan 8.230 nan 0.000 0.403 427 L N 4.911 125.985 121.223 -0.248 0.000 2.296 427 L HA 0.918 5.259 4.340 0.002 0.000 0.286 427 L C -0.776 176.109 176.870 0.025 0.000 1.023 427 L CA -0.425 54.096 54.840 -0.532 0.000 0.812 427 L CB 1.566 42.937 42.059 -1.147 0.000 1.223 427 L HN 0.867 nan 8.230 nan 0.000 0.421 428 A N 7.043 129.950 122.820 0.144 0.000 2.357 428 A HA 0.681 5.002 4.320 0.002 0.000 0.295 428 A C -1.022 176.768 177.584 0.343 0.000 1.121 428 A CA -0.437 51.751 52.037 0.251 0.000 0.742 428 A CB 0.871 20.016 19.000 0.242 0.000 1.181 428 A HN 0.677 nan 8.150 nan 0.000 0.454 429 I N 4.565 125.364 120.570 0.382 0.000 2.406 429 I HA 0.410 4.581 4.170 0.002 0.000 0.290 429 I C -2.358 173.919 176.117 0.267 0.000 0.999 429 I CA -2.293 59.198 61.300 0.318 0.000 1.124 429 I CB 2.793 40.976 38.000 0.305 0.000 1.289 429 I HN 0.421 nan 8.210 nan 0.000 0.441 430 P HA 0.317 nan 4.420 nan 0.000 0.288 430 P C -0.876 176.325 177.300 -0.165 0.000 1.267 430 P CA -0.354 62.559 63.100 -0.313 0.000 0.815 430 P CB 1.521 32.957 31.700 -0.440 0.000 0.989 431 I N 1.456 121.921 120.570 -0.176 0.000 2.620 431 I HA 0.473 4.644 4.170 0.002 0.000 0.280 431 I C 0.939 177.025 176.117 -0.051 0.000 1.143 431 I CA -0.674 60.608 61.300 -0.029 0.000 1.163 431 I CB -0.846 37.232 38.000 0.131 0.000 1.461 431 I HN 0.640 nan 8.210 nan 0.000 0.530 432 A N 4.837 127.595 122.820 -0.103 0.000 6.076 432 A HA -0.210 4.111 4.320 0.002 0.000 0.244 432 A C 0.198 177.659 177.584 -0.205 0.000 2.254 432 A CA 0.032 52.001 52.037 -0.114 0.000 0.704 432 A CB -0.747 18.220 19.000 -0.055 0.000 0.977 432 A HN 0.640 nan 8.150 nan 0.000 0.353 433 R N 0.240 120.631 120.500 -0.182 0.000 2.438 433 R HA 0.557 4.899 4.340 0.002 0.000 0.287 433 R C 1.092 177.265 176.300 -0.212 0.000 1.077 433 R CA 0.704 56.649 56.100 -0.259 0.000 1.034 433 R CB 0.039 30.210 30.300 -0.214 0.000 0.993 433 R HN 0.882 nan 8.270 nan 0.000 0.459 434 H N -1.098 117.874 119.070 -0.163 0.000 4.188 434 H HA -0.259 4.299 4.556 0.003 0.000 0.157 434 H C -0.677 174.585 175.328 -0.110 0.000 0.845 434 H CA 1.479 57.478 56.048 -0.081 0.000 1.246 434 H CB -1.112 28.609 29.762 -0.069 0.000 0.933 434 H HN 0.673 nan 8.280 nan 0.000 0.413 435 N N 0.060 118.639 118.700 -0.202 0.000 2.421 435 N HA 0.535 5.276 4.740 0.002 0.000 0.285 435 N C -0.799 174.523 175.510 -0.314 0.000 1.027 435 N CA -0.277 52.700 53.050 -0.122 0.000 0.918 435 N CB 1.202 39.642 38.487 -0.078 0.000 1.152 435 N HN -0.053 nan 8.380 nan 0.000 0.485 436 F N 1.157 121.171 119.950 0.106 0.000 2.588 436 F HA 0.424 4.952 4.527 0.002 0.000 0.310 436 F C -0.620 175.191 175.800 0.019 0.000 1.082 436 F CA -0.946 57.091 58.000 0.063 0.000 0.929 436 F CB 1.546 40.567 39.000 0.035 0.000 1.254 436 F HN 0.089 nan 8.300 nan 0.000 0.455 437 L N 3.942 125.259 121.223 0.158 0.000 2.296 437 L HA 0.531 4.873 4.340 0.002 0.000 0.286 437 L C -1.178 175.499 176.870 -0.323 0.000 1.023 437 L CA -0.693 54.045 54.840 -0.170 0.000 0.812 437 L CB 1.396 43.324 42.059 -0.218 0.000 1.223 437 L HN 0.431 nan 8.230 nan 0.000 0.421 438 L N 4.034 124.907 121.223 -0.583 0.000 2.365 438 L HA 0.556 4.898 4.340 0.002 0.000 0.273 438 L C -0.681 175.630 176.870 -0.931 0.000 1.000 438 L CA -0.342 54.149 54.840 -0.582 0.000 0.819 438 L CB 1.991 43.732 42.059 -0.530 0.000 1.284 438 L HN 0.416 nan 8.230 nan 0.000 0.418 439 W N 3.192 124.236 121.300 -0.428 0.000 2.666 439 W HA 0.528 5.189 4.660 0.002 0.000 0.334 439 W C -0.981 175.371 176.519 -0.278 0.000 1.051 439 W CA -0.564 56.627 57.345 -0.256 0.000 1.224 439 W CB 1.846 31.346 29.460 0.067 0.000 1.405 439 W HN 0.270 nan 8.180 nan 0.000 0.513 440 F N 1.428 121.655 119.950 0.462 0.000 2.522 440 F HA 0.639 5.167 4.527 0.003 0.000 0.324 440 F C 0.332 176.328 175.800 0.327 0.000 1.077 440 F CA -1.106 57.116 58.000 0.370 0.000 0.944 440 F CB 1.883 41.011 39.000 0.213 0.000 1.175 440 F HN 0.011 nan 8.300 nan 0.000 0.468 441 R N 1.975 122.751 120.500 0.459 0.000 2.604 441 R HA 0.421 4.762 4.340 0.002 0.000 0.281 441 R C -2.950 173.458 176.300 0.179 0.000 1.020 441 R CA -1.989 54.240 56.100 0.215 0.000 0.899 441 R CB 2.576 32.874 30.300 -0.002 0.000 1.205 441 R HN 0.266 nan 8.270 nan 0.000 0.450 442 P HA 0.015 nan 4.420 nan 0.000 0.276 442 P C -0.861 176.472 177.300 0.055 0.000 1.244 442 P CA -0.368 62.787 63.100 0.091 0.000 0.801 442 P CB 0.766 32.504 31.700 0.064 0.000 1.006 443 E N 0.904 121.136 120.200 0.053 0.000 2.558 443 E HA 0.102 4.453 4.350 0.002 0.000 0.255 443 E C -0.969 175.636 176.600 0.007 0.000 0.968 443 E CA 0.094 56.510 56.400 0.026 0.000 0.939 443 E CB 0.221 29.934 29.700 0.022 0.000 0.921 443 E HN 0.136 nan 8.360 nan 0.000 0.477 444 V N 6.847 126.755 119.914 -0.009 0.000 2.443 444 V HA 0.210 4.332 4.120 0.002 0.000 0.293 444 V C 0.093 176.173 176.094 -0.023 0.000 1.021 444 V CA -0.726 61.562 62.300 -0.020 0.000 0.848 444 V CB 1.424 33.225 31.823 -0.037 0.000 0.998 444 V HN 0.643 nan 8.190 nan 0.000 0.424 445 L N 5.248 126.458 121.223 -0.020 0.000 2.477 445 L HA 0.305 4.646 4.340 0.002 0.000 0.272 445 L C 0.181 177.032 176.870 -0.032 0.000 1.157 445 L CA 0.326 55.153 54.840 -0.021 0.000 0.889 445 L CB 0.290 42.338 42.059 -0.019 0.000 1.158 445 L HN 0.670 nan 8.230 nan 0.000 0.473 446 Q N 2.004 121.784 119.800 -0.035 0.000 2.333 446 Q HA 0.337 4.679 4.340 0.002 0.000 0.268 446 Q C -0.252 175.718 176.000 -0.049 0.000 1.007 446 Q CA -0.579 55.193 55.803 -0.052 0.000 0.810 446 Q CB 2.269 30.968 28.738 -0.065 0.000 1.264 446 Q HN 0.626 nan 8.270 nan 0.000 0.452 447 T N -0.886 113.633 114.554 -0.058 0.000 2.749 447 T HA 0.586 4.937 4.350 0.002 0.000 0.287 447 T C -0.264 174.382 174.700 -0.089 0.000 0.970 447 T CA -0.609 61.460 62.100 -0.051 0.000 0.980 447 T CB 0.659 69.499 68.868 -0.046 0.000 0.924 447 T HN 0.254 nan 8.240 nan 0.000 0.456 448 V N 4.561 124.427 119.914 -0.080 0.000 2.435 448 V HA 0.387 4.508 4.120 0.002 0.000 0.290 448 V C 0.146 176.180 176.094 -0.100 0.000 1.030 448 V CA -1.035 61.132 62.300 -0.221 0.000 0.881 448 V CB 1.137 32.722 31.823 -0.397 0.000 0.983 448 V HN 0.973 nan 8.190 nan 0.000 0.445 449 N N 4.552 123.164 118.700 -0.148 0.000 2.589 449 N HA 0.322 5.063 4.740 0.002 0.000 0.232 449 N C -0.975 174.536 175.510 0.002 0.000 1.015 449 N CA -0.504 52.545 53.050 -0.002 0.000 0.931 449 N CB 0.582 39.066 38.487 -0.005 0.000 1.150 449 N HN 0.621 nan 8.380 nan 0.000 0.512 450 W N 0.678 122.052 121.300 0.124 0.000 2.184 450 W HA 0.334 4.995 4.660 0.002 0.000 0.338 450 W C 1.243 177.728 176.519 -0.056 0.000 1.257 450 W CA -0.674 56.714 57.345 0.071 0.000 1.243 450 W CB 0.715 30.271 29.460 0.160 0.000 1.122 450 W HN 0.360 nan 8.180 nan 0.000 0.585 451 G N 1.848 110.581 108.800 -0.111 0.000 3.209 451 G HA2 0.478 4.440 3.960 0.002 0.000 0.274 451 G HA3 0.478 4.440 3.960 0.002 0.000 0.274 451 G C 0.187 175.139 174.900 0.087 0.000 0.850 451 G CA 0.329 45.320 45.100 -0.181 0.000 1.907 451 G HN 0.963 nan 8.290 nan 0.000 0.591 452 G N 1.024 109.912 108.800 0.147 0.000 2.555 452 G HA2 0.007 3.968 3.960 0.002 0.000 0.686 452 G HA3 0.007 3.968 3.960 0.002 0.000 0.686 452 G C -0.831 173.991 174.900 -0.131 0.000 1.275 452 G CA -0.599 44.514 45.100 0.021 0.000 0.871 452 G HN 0.548 nan 8.290 nan 0.000 0.603 453 D N 1.171 121.311 120.400 -0.433 0.000 2.346 453 D HA 0.400 5.041 4.640 0.002 0.000 0.260 453 D C -0.097 175.660 176.300 -0.905 0.000 1.252 453 D CA -1.657 51.681 54.000 -1.103 0.000 0.895 453 D CB 1.213 41.451 40.800 -0.938 0.000 1.097 453 D HN 0.116 nan 8.370 nan 0.000 0.489 454 P HA -0.092 nan 4.420 nan 0.000 0.226 454 P C 0.450 177.287 177.300 -0.772 0.000 1.153 454 P CA 0.677 63.195 63.100 -0.970 0.000 0.777 454 P CB 0.294 30.942 31.700 -1.753 0.000 0.794 455 N N -0.655 117.492 118.700 -0.923 0.000 2.309 455 N HA -0.133 4.609 4.740 0.002 0.000 0.182 455 N C 0.184 175.191 175.510 -0.839 0.000 1.018 455 N CA 0.864 53.411 53.050 -0.839 0.000 0.876 455 N CB -0.561 37.351 38.487 -0.958 0.000 0.972 455 N HN 0.477 nan 8.380 nan 0.000 0.434 456 H N -1.455 117.375 119.070 -0.402 0.000 2.471 456 H HA 0.469 5.027 4.556 0.002 0.000 0.234 456 H C 0.555 175.717 175.328 -0.277 0.000 1.388 456 H CA -0.402 55.451 56.048 -0.325 0.000 1.198 456 H CB 0.703 30.305 29.762 -0.266 0.000 1.714 456 H HN 0.083 nan 8.280 nan 0.000 0.536 457 A N 1.069 123.768 122.820 -0.200 0.000 1.940 457 A HA -0.091 4.230 4.320 0.002 0.000 0.219 457 A C 0.498 178.195 177.584 0.187 0.000 1.176 457 A CA 1.463 53.496 52.037 -0.007 0.000 0.631 457 A CB -0.473 18.581 19.000 0.089 0.000 0.814 457 A HN 0.681 nan 8.150 nan 0.000 0.446 458 Y N -4.234 116.090 120.300 0.040 0.000 2.829 458 Y HA 0.794 5.346 4.550 0.003 0.000 0.322 458 Y C -0.911 175.029 175.900 0.066 0.000 1.357 458 Y CA -1.625 56.521 58.100 0.076 0.000 1.081 458 Y CB 0.824 39.343 38.460 0.098 0.000 1.339 458 Y HN 0.024 nan 8.280 nan 0.000 0.469 459 E N 0.486 120.812 120.200 0.209 0.000 2.308 459 E HA 0.670 5.021 4.350 0.002 0.000 0.275 459 E C -1.628 175.124 176.600 0.253 0.000 0.890 459 E CA -1.249 55.206 56.400 0.093 0.000 0.754 459 E CB 2.573 32.294 29.700 0.034 0.000 1.207 459 E HN 0.867 nan 8.360 nan 0.000 0.426 460 A N 1.932 124.861 122.820 0.181 0.000 2.304 460 A HA 0.776 5.098 4.320 0.002 0.000 0.323 460 A C -0.030 177.649 177.584 0.158 0.000 1.195 460 A CA -0.195 51.969 52.037 0.212 0.000 0.826 460 A CB 1.106 20.221 19.000 0.192 0.000 1.184 460 A HN 0.701 nan 8.150 nan 0.000 0.496 461 T N 0.457 115.131 114.554 0.200 0.000 2.895 461 T HA 0.714 5.065 4.350 0.002 0.000 0.283 461 T C -0.191 174.572 174.700 0.107 0.000 1.014 461 T CA -0.485 61.698 62.100 0.139 0.000 1.037 461 T CB 0.924 69.892 68.868 0.167 0.000 1.006 461 T HN 0.874 nan 8.240 nan 0.000 0.468 467 I N 2.103 122.704 120.570 0.051 0.000 2.371 467 I HA 0.611 4.783 4.170 0.002 0.000 0.290 467 I C 0.743 176.900 176.117 0.066 0.000 1.028 467 I CA -0.229 61.108 61.300 0.062 0.000 1.345 467 I CB 1.002 39.036 38.000 0.057 0.000 1.407 467 I HN 0.798 nan 8.210 nan 0.000 0.501 468 E N 7.519 127.766 120.200 0.078 0.000 2.279 468 E HA 0.522 4.873 4.350 0.002 0.000 0.252 468 E C -1.149 175.452 176.600 0.002 0.000 0.894 468 E CA -0.712 55.711 56.400 0.039 0.000 0.785 468 E CB 1.332 31.079 29.700 0.079 0.000 1.237 468 E HN 0.397 nan 8.360 nan 0.000 0.418 469 L N 2.718 123.916 121.223 -0.041 0.000 2.371 469 L HA 0.522 4.864 4.340 0.002 0.000 0.272 469 L C 0.321 177.064 176.870 -0.211 0.000 1.124 469 L CA -0.497 54.347 54.840 0.007 0.000 0.816 469 L CB 0.465 42.531 42.059 0.013 0.000 1.129 469 L HN 0.674 nan 8.230 nan 0.000 0.448 470 H N 2.078 121.262 119.070 0.190 0.000 2.806 470 H HA 0.424 4.982 4.556 0.003 0.000 0.367 470 H C -2.334 173.119 175.328 0.208 0.000 1.136 470 H CA -1.385 54.763 56.048 0.167 0.000 1.178 470 H CB 2.652 32.484 29.762 0.116 0.000 1.718 470 H HN 0.369 nan 8.280 nan 0.000 0.540 471 P HA 0.147 nan 4.420 nan 0.000 0.276 471 P C -0.031 177.409 177.300 0.233 0.000 1.244 471 P CA -0.665 62.646 63.100 0.352 0.000 0.801 471 P CB 1.561 33.536 31.700 0.459 0.000 1.006 472 R N 0.981 121.575 120.500 0.157 0.000 2.679 472 R HA 0.141 4.483 4.340 0.002 0.000 0.269 472 R C 0.957 177.102 176.300 -0.258 0.000 1.076 472 R CA -0.222 55.822 56.100 -0.093 0.000 1.160 472 R CB 0.171 30.340 30.300 -0.219 0.000 1.054 472 R HN 0.387 nan 8.270 nan 0.000 0.507 473 Q N 0.690 120.327 119.800 -0.272 0.000 2.324 473 Q HA 0.069 4.410 4.340 0.002 0.000 0.207 473 Q C 0.109 175.935 176.000 -0.291 0.000 0.928 473 Q CA 0.462 56.157 55.803 -0.179 0.000 0.890 473 Q CB 0.605 29.295 28.738 -0.079 0.000 1.001 473 Q HN 0.681 nan 8.270 nan 0.000 0.517 474 S N -0.901 114.552 115.700 -0.412 0.000 2.541 474 S HA 0.361 4.833 4.470 0.002 0.000 0.283 474 S C -0.571 173.647 174.600 -0.637 0.000 1.196 474 S CA -0.619 57.398 58.200 -0.305 0.000 1.062 474 S CB 0.379 63.501 63.200 -0.131 0.000 1.009 474 S HN 0.303 nan 8.310 nan 0.000 0.502 475 F N 1.216 121.175 119.950 0.015 0.000 2.815 475 F HA 0.345 4.874 4.527 0.002 0.000 0.335 475 F C -0.099 175.719 175.800 0.029 0.000 1.179 475 F CA -0.885 57.119 58.000 0.007 0.000 1.204 475 F CB 0.449 39.419 39.000 -0.050 0.000 1.050 475 F HN 0.364 nan 8.300 nan 0.000 0.510 476 D N 1.542 122.047 120.400 0.175 0.000 2.341 476 D HA 0.133 4.774 4.640 0.002 0.000 0.245 476 D C 0.170 176.585 176.300 0.191 0.000 1.106 476 D CA -0.328 53.779 54.000 0.177 0.000 0.905 476 D CB 1.181 42.071 40.800 0.150 0.000 1.202 476 D HN -0.033 nan 8.370 nan 0.000 0.426 477 L N 2.305 123.633 121.223 0.175 0.000 2.678 477 L HA -0.023 4.318 4.340 0.002 0.000 0.285 477 L C -0.984 176.029 176.870 0.239 0.000 1.233 477 L CA 0.369 55.315 54.840 0.177 0.000 0.920 477 L CB -0.244 41.887 42.059 0.120 0.000 1.176 477 L HN 0.508 nan 8.230 nan 0.000 0.495 478 W N 7.113 128.475 121.300 0.103 0.000 2.453 478 W HA 0.394 5.056 4.660 0.003 0.000 0.310 478 W C -0.304 176.317 176.519 0.170 0.000 1.000 478 W CA -1.015 56.392 57.345 0.102 0.000 1.367 478 W CB 0.727 30.224 29.460 0.063 0.000 1.269 478 W HN 0.573 nan 8.180 nan 0.000 0.418 479 K N 3.958 124.255 120.400 -0.171 0.000 2.339 479 K HA 0.096 4.418 4.320 0.002 0.000 0.286 479 K C -0.001 176.475 176.600 -0.207 0.000 1.050 479 K CA 0.120 56.342 56.287 -0.108 0.000 0.956 479 K CB 0.768 33.168 32.500 -0.166 0.000 0.990 479 K HN 0.498 nan 8.250 nan 0.000 0.475 480 E N 3.992 124.277 120.200 0.141 0.000 2.202 480 E HA 0.280 4.632 4.350 0.002 0.000 0.272 480 E C -1.292 175.346 176.600 0.064 0.000 0.951 480 E CA -1.011 55.496 56.400 0.179 0.000 0.813 480 E CB 1.195 31.217 29.700 0.537 0.000 1.151 480 E HN 0.460 nan 8.360 nan 0.000 0.398 481 I N 4.239 124.828 120.570 0.032 0.000 2.382 481 I HA 0.182 4.353 4.170 0.002 0.000 0.286 481 I C -1.213 174.924 176.117 0.034 0.000 1.002 481 I CA -0.611 60.696 61.300 0.010 0.000 1.135 481 I CB 1.348 39.335 38.000 -0.021 0.000 1.288 481 I HN 0.232 nan 8.210 nan 0.000 0.448 482 V N 8.389 128.319 119.914 0.027 0.000 2.461 482 V HA 0.497 4.618 4.120 0.002 0.000 0.275 482 V C 0.447 176.548 176.094 0.011 0.000 1.047 482 V CA -0.352 61.966 62.300 0.029 0.000 0.955 482 V CB 0.904 32.737 31.823 0.017 0.000 0.988 482 V HN 0.669 nan 8.190 nan 0.000 0.471 483 R N 3.122 123.631 120.500 0.015 0.000 2.919 483 R HA 0.710 5.051 4.340 0.002 0.000 0.260 483 R C -0.146 176.159 176.300 0.009 0.000 1.067 483 R CA -1.147 54.957 56.100 0.007 0.000 1.003 483 R CB 1.203 31.505 30.300 0.003 0.000 1.192 483 R HN 0.571 nan 8.270 nan 0.000 0.488 484 L N -0.063 121.162 121.223 0.004 0.000 3.839 484 L HA -0.315 4.027 4.340 0.002 0.000 0.416 484 L C -0.471 176.412 176.870 0.021 0.000 1.195 484 L CA 0.694 55.537 54.840 0.005 0.000 0.946 484 L CB -1.582 40.474 42.059 -0.005 0.000 1.891 484 L HN 0.678 nan 8.230 nan 0.000 0.963 485 Q N -0.133 119.679 119.800 0.020 0.000 2.289 485 Q HA 0.566 4.907 4.340 0.002 0.000 0.270 485 Q C 0.075 176.078 176.000 0.007 0.000 1.038 485 Q CA 0.035 55.853 55.803 0.024 0.000 0.812 485 Q CB 2.227 30.975 28.738 0.016 0.000 1.300 485 Q HN 0.333 nan 8.270 nan 0.000 0.427 486 S N 2.463 118.164 115.700 0.003 0.000 2.671 486 S HA 0.538 5.010 4.470 0.002 0.000 0.272 486 S C 0.255 174.791 174.600 -0.107 0.000 1.174 486 S CA -0.803 57.366 58.200 -0.051 0.000 1.004 486 S CB 0.378 63.535 63.200 -0.072 0.000 1.077 486 S HN 0.616 nan 8.310 nan 0.000 0.553 487 L N 2.116 123.235 121.223 -0.173 0.000 2.467 487 L HA 0.320 4.661 4.340 0.002 0.000 0.270 487 L C -1.856 174.847 176.870 -0.277 0.000 1.205 487 L CA -1.708 53.012 54.840 -0.199 0.000 0.828 487 L CB -0.091 41.842 42.059 -0.211 0.000 1.101 487 L HN 0.553 nan 8.230 nan 0.000 0.479 488 P HA -0.012 nan 4.420 nan 0.000 0.277 488 P C -1.388 175.824 177.300 -0.145 0.000 1.240 488 P CA -0.452 62.587 63.100 -0.101 0.000 0.798 488 P CB 0.407 32.104 31.700 -0.004 0.000 0.979 489 W N 1.929 123.268 121.300 0.064 0.000 2.481 489 W HA 0.221 4.882 4.660 0.002 0.000 0.320 489 W C 0.955 177.419 176.519 -0.093 0.000 1.209 489 W CA -0.166 57.161 57.345 -0.030 0.000 1.400 489 W CB 0.091 29.501 29.460 -0.083 0.000 1.361 489 W HN 0.282 nan 8.180 nan 0.000 0.456 490 Q N 1.215 121.085 119.800 0.118 0.000 2.454 490 Q HA 0.003 4.344 4.340 0.002 0.000 0.247 490 Q C 1.449 177.462 176.000 0.022 0.000 1.028 490 Q CA -0.076 55.772 55.803 0.074 0.000 0.910 490 Q CB 1.142 29.942 28.738 0.104 0.000 1.276 490 Q HN 0.500 nan 8.270 nan 0.000 0.489 491 S N 0.529 116.230 115.700 0.003 0.000 2.387 491 S HA -0.130 4.341 4.470 0.002 0.000 0.226 491 S C 1.758 176.328 174.600 -0.050 0.000 1.026 491 S CA 1.233 59.401 58.200 -0.053 0.000 0.972 491 S CB -0.185 63.005 63.200 -0.017 0.000 0.814 491 S HN 0.576 nan 8.310 nan 0.000 0.477 492 V N 0.210 120.124 119.914 0.001 0.000 2.469 492 V HA -0.149 3.973 4.120 0.002 0.000 0.251 492 V C 1.891 177.932 176.094 -0.089 0.000 1.064 492 V CA 2.050 64.330 62.300 -0.033 0.000 1.066 492 V CB -1.080 30.745 31.823 0.003 0.000 0.667 492 V HN 0.446 nan 8.190 nan 0.000 0.461 493 E N 0.544 120.722 120.200 -0.037 0.000 2.112 493 E HA 0.020 4.371 4.350 0.002 0.000 0.190 493 E C 2.194 178.688 176.600 -0.177 0.000 0.979 493 E CA 1.411 57.770 56.400 -0.069 0.000 0.814 493 E CB -0.208 29.548 29.700 0.093 0.000 0.762 493 E HN 0.628 nan 8.360 nan 0.000 0.460 494 I N 1.146 121.599 120.570 -0.194 0.000 2.252 494 I HA -0.281 3.890 4.170 0.002 0.000 0.245 494 I C 3.063 179.046 176.117 -0.223 0.000 1.102 494 I CA 1.479 62.601 61.300 -0.296 0.000 1.385 494 I CB -0.611 37.148 38.000 -0.401 0.000 1.064 494 I HN 0.167 nan 8.210 nan 0.000 0.414 495 Q N 0.356 120.058 119.800 -0.163 0.000 2.084 495 Q HA -0.259 4.082 4.340 0.002 0.000 0.202 495 Q C 2.363 178.284 176.000 -0.130 0.000 0.978 495 Q CA 2.255 57.986 55.803 -0.120 0.000 0.844 495 Q CB -1.343 27.341 28.738 -0.089 0.000 0.898 495 Q HN 0.534 nan 8.270 nan 0.000 0.426 496 S N -0.090 115.513 115.700 -0.161 0.000 2.359 496 S HA -0.071 4.401 4.470 0.002 0.000 0.224 496 S C 2.340 176.828 174.600 -0.187 0.000 1.035 496 S CA 2.076 60.175 58.200 -0.169 0.000 1.018 496 S CB -0.645 62.435 63.200 -0.199 0.000 0.876 496 S HN 1.074 nan 8.310 nan 0.000 0.448 497 A N 0.796 123.432 122.820 -0.306 0.000 1.940 497 A HA -0.009 4.312 4.320 0.002 0.000 0.219 497 A C 2.094 179.620 177.584 -0.097 0.000 1.176 497 A CA 1.644 53.452 52.037 -0.382 0.000 0.631 497 A CB -0.728 17.865 19.000 -0.678 0.000 0.814 497 A HN 0.541 nan 8.150 nan 0.000 0.446 498 L N -0.843 120.326 121.223 -0.090 0.000 2.240 498 L HA 0.055 4.396 4.340 0.002 0.000 0.211 498 L C 2.867 179.721 176.870 -0.027 0.000 1.106 498 L CA 1.387 56.209 54.840 -0.031 0.000 0.793 498 L CB -0.681 41.354 42.059 -0.039 0.000 0.927 498 L HN 0.367 nan 8.230 nan 0.000 0.446 499 A N -0.749 122.043 122.820 -0.047 0.000 1.978 499 A HA -0.195 4.126 4.320 0.002 0.000 0.220 499 A C 2.337 179.908 177.584 -0.021 0.000 1.170 499 A CA 1.642 53.655 52.037 -0.040 0.000 0.636 499 A CB -0.651 18.316 19.000 -0.055 0.000 0.810 499 A HN 0.384 nan 8.150 nan 0.000 0.448 500 L N -0.758 120.469 121.223 0.007 0.000 2.044 500 L HA -0.131 4.210 4.340 0.002 0.000 0.205 500 L C 2.609 179.489 176.870 0.017 0.000 1.075 500 L CA 1.913 56.778 54.840 0.041 0.000 0.747 500 L CB -0.361 41.784 42.059 0.143 0.000 0.903 500 L HN 0.457 nan 8.230 nan 0.000 0.435 501 K N 0.451 120.877 120.400 0.043 0.000 2.074 501 K HA -0.255 4.066 4.320 0.002 0.000 0.209 501 K C 1.996 178.571 176.600 -0.042 0.000 1.048 501 K CA 1.697 57.990 56.287 0.011 0.000 0.926 501 K CB 0.012 32.537 32.500 0.042 0.000 0.713 501 K HN 0.333 nan 8.250 nan 0.000 0.444 502 K N -0.292 120.087 120.400 -0.035 0.000 2.103 502 K HA -0.053 4.268 4.320 0.002 0.000 0.204 502 K C 2.120 178.679 176.600 -0.067 0.000 1.052 502 K CA 0.984 57.243 56.287 -0.047 0.000 0.945 502 K CB -0.049 32.429 32.500 -0.036 0.000 0.722 502 K HN 0.182 nan 8.250 nan 0.000 0.443 503 A N 1.285 124.064 122.820 -0.070 0.000 1.969 503 A HA -0.091 4.231 4.320 0.002 0.000 0.218 503 A C 2.049 179.543 177.584 -0.149 0.000 1.169 503 A CA 1.059 53.044 52.037 -0.085 0.000 0.635 503 A CB -0.435 18.527 19.000 -0.063 0.000 0.810 503 A HN 0.142 nan 8.150 nan 0.000 0.445 504 I N -0.560 119.886 120.570 -0.208 0.000 2.202 504 I HA -0.183 3.989 4.170 0.002 0.000 0.242 504 I C 2.280 178.192 176.117 -0.341 0.000 1.091 504 I CA 0.946 61.996 61.300 -0.418 0.000 1.368 504 I CB -0.251 37.431 38.000 -0.531 0.000 1.058 504 I HN 0.131 nan 8.210 nan 0.000 0.410 505 V N 1.225 121.021 119.914 -0.196 0.000 2.469 505 V HA -0.278 3.843 4.120 0.002 0.000 0.251 505 V C 2.094 178.128 176.094 -0.100 0.000 1.064 505 V CA 1.857 64.085 62.300 -0.121 0.000 1.066 505 V CB -0.920 30.860 31.823 -0.072 0.000 0.667 505 V HN 0.443 nan 8.190 nan 0.000 0.461 506 N N 0.157 118.796 118.700 -0.101 0.000 2.104 506 N HA -0.113 4.628 4.740 0.002 0.000 0.190 506 N C 1.684 177.147 175.510 -0.077 0.000 1.024 506 N CA 1.360 54.364 53.050 -0.076 0.000 0.853 506 N CB -0.377 38.069 38.487 -0.068 0.000 1.008 506 N HN 0.409 nan 8.380 nan 0.000 0.424 507 L N -0.284 120.869 121.223 -0.117 0.000 2.072 507 L HA -0.054 4.288 4.340 0.002 0.000 0.205 507 L C 1.818 178.653 176.870 -0.059 0.000 1.079 507 L CA 0.589 55.371 54.840 -0.096 0.000 0.752 507 L CB -0.322 41.650 42.059 -0.145 0.000 0.906 507 L HN 0.068 nan 8.230 nan 0.000 0.436 508 I N -0.492 120.029 120.570 -0.082 0.000 2.208 508 I HA -0.305 3.866 4.170 0.002 0.000 0.245 508 I C 2.322 178.448 176.117 0.014 0.000 1.097 508 I CA 1.252 62.552 61.300 -0.000 0.000 1.363 508 I CB -0.396 37.614 38.000 0.018 0.000 1.051 508 I HN 0.147 nan 8.210 nan 0.000 0.413 509 L N -0.076 121.139 121.223 -0.013 0.000 2.083 509 L HA -0.210 4.132 4.340 0.002 0.000 0.209 509 L C 2.831 179.696 176.870 -0.008 0.000 1.083 509 L CA 1.427 56.261 54.840 -0.010 0.000 0.752 509 L CB -1.221 40.824 42.059 -0.025 0.000 0.899 509 L HN 0.212 nan 8.230 nan 0.000 0.433 510 R N -0.310 120.181 120.500 -0.015 0.000 2.073 510 R HA -0.147 4.195 4.340 0.002 0.000 0.234 510 R C 2.293 178.590 176.300 -0.005 0.000 1.134 510 R CA 1.611 57.701 56.100 -0.016 0.000 0.952 510 R CB -0.502 29.786 30.300 -0.021 0.000 0.850 510 R HN 0.589 nan 8.270 nan 0.000 0.433 511 Q N -0.570 119.246 119.800 0.026 0.000 2.030 511 Q HA -0.113 4.228 4.340 0.002 0.000 0.204 511 Q C 2.499 178.573 176.000 0.124 0.000 0.986 511 Q CA 1.952 57.800 55.803 0.075 0.000 0.843 511 Q CB -0.496 28.325 28.738 0.137 0.000 0.904 511 Q HN 0.602 nan 8.270 nan 0.000 0.420 512 A N 2.053 124.935 122.820 0.103 0.000 1.903 512 A HA -0.287 4.034 4.320 0.002 0.000 0.219 512 A C 1.946 179.579 177.584 0.080 0.000 1.191 512 A CA 2.075 54.174 52.037 0.104 0.000 0.638 512 A CB -0.721 18.311 19.000 0.055 0.000 0.823 512 A HN 0.620 nan 8.150 nan 0.000 0.451 513 E N -1.160 119.048 120.200 0.015 0.000 2.371 513 E HA 0.062 4.414 4.350 0.002 0.000 0.194 513 E C 1.629 178.184 176.600 -0.074 0.000 1.012 513 E CA 0.971 57.354 56.400 -0.028 0.000 0.860 513 E CB -0.352 29.311 29.700 -0.062 0.000 0.811 513 E HN 0.596 nan 8.360 nan 0.000 0.502 514 E N 1.718 121.863 120.200 -0.093 0.000 2.204 514 E HA -0.147 4.204 4.350 0.002 0.000 0.194 514 E C 1.554 177.955 176.600 -0.331 0.000 0.989 514 E CA 1.250 57.529 56.400 -0.202 0.000 0.824 514 E CB -1.003 28.569 29.700 -0.214 0.000 0.756 514 E HN 0.471 nan 8.360 nan 0.000 0.477 515 H N -1.200 117.815 119.070 -0.093 0.000 2.526 515 H HA 0.097 4.654 4.556 0.002 0.000 0.274 515 H C 0.125 175.324 175.328 -0.216 0.000 0.999 515 H CA 0.108 56.114 56.048 -0.069 0.000 1.157 515 H CB 0.029 29.811 29.762 0.033 0.000 1.407 515 H HN 0.484 nan 8.280 nan 0.000 0.568 516 H N 0.973 119.817 119.070 -0.377 0.000 2.458 516 H HA 0.254 4.812 4.556 0.003 0.000 0.330 516 H C -0.578 174.297 175.328 -0.756 0.000 1.111 516 H CA -0.117 55.706 56.048 -0.375 0.000 1.245 516 H CB 0.885 30.527 29.762 -0.201 0.000 1.456 516 H HN 0.284 nan 8.280 nan 0.000 0.488 517 H N 3.204 121.875 119.070 -0.665 0.000 2.928 517 H HA 0.232 4.789 4.556 0.002 0.000 0.371 517 H C -0.456 174.571 175.328 -0.501 0.000 1.186 517 H CA -0.796 54.973 56.048 -0.466 0.000 1.134 517 H CB 1.840 31.457 29.762 -0.242 0.000 1.824 517 H HN 0.651 nan 8.280 nan 0.000 0.554 518 H N 1.332 120.468 119.070 0.111 0.000 2.476 518 H HA 0.141 4.698 4.556 0.002 0.000 0.328 518 H C 0.921 176.350 175.328 0.168 0.000 1.073 518 H CA 0.497 56.648 56.048 0.173 0.000 1.229 518 H CB 1.352 31.264 29.762 0.249 0.000 1.432 518 H HN 1.063 nan 8.280 nan 0.000 0.477 519 H N 0.739 119.930 119.070 0.201 0.000 4.699 519 H HA -0.334 4.223 4.556 0.002 0.000 0.060 519 H C 0.278 175.709 175.328 0.173 0.000 0.622 519 H CA 1.724 57.864 56.048 0.153 0.000 0.904 519 H CB -1.250 28.587 29.762 0.125 0.000 0.425 519 H HN 0.794 nan 8.280 nan 0.000 0.815 520 H N 0.000 118.566 119.070 -0.839 0.000 2.539 520 H HA 0.000 4.557 4.556 0.002 0.000 0.296 520 H CA 0.000 55.799 56.048 -0.415 0.000 1.023 520 H CB 0.000 29.653 29.762 -0.182 0.000 1.292 520 H HN 0.000 nan 8.280 nan 0.000 0.496