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 3hm9_1_A DATA FIRST_RESID 3 DATA SEQUENCE HLGKTEVFLN RFALRPLNPE ELRPWRLEVV LDPPPGREEV YPLLAQVARR DATA SEQUENCE AGGVTVRMGD GLASWSPPEV LVLEGTLARM GQTYAYRLYP KGRRPLDPKD DATA SEQUENCE PGERSVLSAL ARRLLQERLR RLEGVWVEGL AVYRREHARG PGWRVLGGAV DATA SEQUENCE LDLWVSDSGA FLLEVDPAYR ILCEMSLEAW LAQGHPLPKR VRNAYDRRTW DATA SEQUENCE ELLRLGEEDP KEXXXXXXLS LLDYHASKGR LQGREGGRVA WVADXXXXXX DATA SEQUENCE PIPHLTGLLV PVLTLXXXXX XXXXXXLSLP WEERRRRTRE IASWIGRRLG DATA SEQUENCE LGTPEAVRAQ AYRLSIPKLM GRRAVSKPAD ALRVGFYRAQ ETALALLRLD DATA SEQUENCE GAQGWPEFLR RALLRAFGAS GASLRLHTLH AHPSQGLAFR EALRKAKEEG DATA SEQUENCE VQAVLVLTPP MAWEDRNRLK ALLLREGLPS QILNVPLREE ERHRWENALL DATA SEQUENCE GLLAKAGLQV VALSGAYPAE LAVGFDAGGR ESFRFGGAAC AVGGDXGHLL DATA SEQUENCE WTLPEAQAGE RIPQEVVWDL LEETLWAFRR KAGRLPSRVL LLRDGRVPQD DATA SEQUENCE EFALALEALA REGIAYDLVS VRKSGGGRVY PVQGRLADGL YVPLEDKTFL DATA SEQUENCE LLTVXXXXXG TPRPLKLVHE AGDTPLEALA HQIFHLTRLY PASGFAFPRL DATA SEQUENCE PAPLHLADRL VKEVGRLGIR HLKEVDREKL FFV 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.355 175.328 0.046 0.000 0.993 3 H CA 0.000 56.045 56.048 -0.005 0.000 1.023 3 H CB 0.000 29.735 29.762 -0.045 0.000 1.292 4 L N -0.783 120.476 121.223 0.061 0.000 2.333 4 L HA 0.993 5.370 4.340 0.062 0.000 0.269 4 L C 0.311 177.193 176.870 0.019 0.000 1.010 4 L CA -0.741 54.153 54.840 0.091 0.000 0.818 4 L CB 1.656 43.845 42.059 0.217 0.000 1.306 4 L HN 0.443 nan 8.230 nan 0.000 0.430 5 G N 1.204 110.003 108.800 -0.002 0.000 2.644 5 G HA2 0.400 4.397 3.960 0.062 0.000 0.300 5 G HA3 0.400 4.397 3.960 0.062 0.000 0.300 5 G C -0.603 174.226 174.900 -0.117 0.000 1.395 5 G CA -0.612 44.450 45.100 -0.063 0.000 0.964 5 G HN 0.624 nan 8.290 nan 0.000 0.511 6 K N 1.660 121.926 120.400 -0.224 0.000 2.401 6 K HA 0.373 4.730 4.320 0.062 0.000 0.278 6 K C 0.285 176.793 176.600 -0.155 0.000 1.018 6 K CA 0.296 56.409 56.287 -0.290 0.000 0.981 6 K CB 0.775 33.042 32.500 -0.388 0.000 0.933 6 K HN 0.496 nan 8.250 nan 0.000 0.477 7 T N 1.139 115.621 114.554 -0.120 0.000 2.905 7 T HA 0.285 4.673 4.350 0.062 0.000 0.283 7 T C -0.907 173.738 174.700 -0.092 0.000 1.031 7 T CA -0.863 61.184 62.100 -0.088 0.000 1.002 7 T CB 1.532 70.363 68.868 -0.061 0.000 1.200 7 T HN 0.526 nan 8.240 nan 0.000 0.560 8 E N 0.146 120.285 120.200 -0.101 0.000 2.244 8 E HA 0.621 5.008 4.350 0.062 0.000 0.260 8 E C -1.315 175.186 176.600 -0.166 0.000 0.884 8 E CA -0.599 55.732 56.400 -0.115 0.000 0.777 8 E CB 1.183 30.809 29.700 -0.124 0.000 1.197 8 E HN 0.666 nan 8.360 nan 0.000 0.416 9 V N 3.382 123.226 119.914 -0.117 0.000 2.850 9 V HA 0.717 4.875 4.120 0.062 0.000 0.315 9 V C -0.639 175.425 176.094 -0.050 0.000 1.064 9 V CA -0.717 61.521 62.300 -0.104 0.000 0.979 9 V CB 1.005 32.820 31.823 -0.014 0.000 1.039 9 V HN 0.506 nan 8.190 nan 0.000 0.452 10 F N 4.071 124.047 119.950 0.044 0.000 2.493 10 F HA 0.805 5.371 4.527 0.065 0.000 0.329 10 F C -0.636 175.194 175.800 0.050 0.000 1.126 10 F CA -3.177 54.834 58.000 0.018 0.000 0.937 10 F CB 0.267 39.256 39.000 -0.018 0.000 1.146 10 F HN 0.532 nan 8.300 nan 0.000 0.442 11 L N 1.120 122.464 121.223 0.203 0.000 2.479 11 L HA 0.475 4.852 4.340 0.062 0.000 0.248 11 L C 0.435 177.318 176.870 0.022 0.000 1.205 11 L CA -0.723 54.166 54.840 0.082 0.000 0.817 11 L CB 0.050 42.124 42.059 0.026 0.000 1.162 11 L HN 0.634 nan 8.230 nan 0.000 0.486 12 N N 0.175 118.912 118.700 0.063 0.000 3.178 12 N HA 0.183 4.961 4.740 0.062 0.000 0.300 12 N C -0.609 174.899 175.510 -0.002 0.000 1.242 12 N CA -0.146 52.950 53.050 0.077 0.000 1.192 12 N CB -0.542 38.109 38.487 0.274 0.000 1.463 12 N HN 0.694 nan 8.380 nan 0.000 0.539 13 R N 0.328 120.677 120.500 -0.252 0.000 2.837 13 R HA 0.611 4.988 4.340 0.062 0.000 0.271 13 R C -1.103 174.839 176.300 -0.598 0.000 0.993 13 R CA -0.733 55.258 56.100 -0.181 0.000 0.931 13 R CB 1.350 31.635 30.300 -0.026 0.000 1.206 13 R HN 0.109 nan 8.270 nan 0.000 0.474 14 F N -0.100 119.804 119.950 -0.077 0.000 2.581 14 F HA 0.495 5.061 4.527 0.064 0.000 0.311 14 F C -0.359 175.380 175.800 -0.101 0.000 1.113 14 F CA -0.918 57.034 58.000 -0.080 0.000 0.935 14 F CB 2.198 41.151 39.000 -0.077 0.000 1.232 14 F HN 0.576 nan 8.300 nan 0.000 0.445 15 A N 4.621 127.494 122.820 0.087 0.000 2.252 15 A HA 0.813 5.171 4.320 0.062 0.000 0.309 15 A C -0.744 176.870 177.584 0.051 0.000 1.285 15 A CA -0.337 51.715 52.037 0.026 0.000 0.900 15 A CB 0.192 19.197 19.000 0.009 0.000 1.157 15 A HN 0.784 nan 8.150 nan 0.000 0.536 16 L N 1.876 123.128 121.223 0.049 0.000 2.421 16 L HA 0.586 4.963 4.340 0.062 0.000 0.267 16 L C 1.165 178.086 176.870 0.085 0.000 1.036 16 L CA -1.340 53.532 54.840 0.052 0.000 0.829 16 L CB 0.656 42.732 42.059 0.027 0.000 1.437 16 L HN 0.913 nan 8.230 nan 0.000 0.488 17 R N 1.778 122.323 120.500 0.075 0.000 2.619 17 R HA 0.058 4.435 4.340 0.062 0.000 0.268 17 R C -2.534 173.856 176.300 0.150 0.000 0.990 17 R CA -0.943 55.207 56.100 0.083 0.000 1.092 17 R CB -0.429 29.900 30.300 0.047 0.000 0.935 17 R HN 0.229 nan 8.270 nan 0.000 0.415 18 P HA -0.036 nan 4.420 nan 0.000 0.268 18 P C -0.320 176.995 177.300 0.025 0.000 1.208 18 P CA -0.182 62.926 63.100 0.014 0.000 0.777 18 P CB 0.404 32.101 31.700 -0.006 0.000 0.875 19 L N 2.754 123.918 121.223 -0.099 0.000 2.461 19 L HA 0.061 4.439 4.340 0.062 0.000 0.272 19 L C 1.260 178.094 176.870 -0.061 0.000 1.197 19 L CA 0.668 55.447 54.840 -0.102 0.000 0.836 19 L CB -0.560 41.347 42.059 -0.254 0.000 1.105 19 L HN 0.479 nan 8.230 nan 0.000 0.477 20 N N 2.489 121.149 118.700 -0.067 0.000 2.472 20 N HA 0.473 5.251 4.740 0.062 0.000 0.289 20 N C -2.272 173.192 175.510 -0.076 0.000 1.156 20 N CA -1.873 51.139 53.050 -0.062 0.000 0.940 20 N CB 0.239 38.693 38.487 -0.055 0.000 1.200 20 N HN 0.148 nan 8.380 nan 0.000 0.511 21 P HA -0.311 nan 4.420 nan 0.000 0.222 21 P C 0.838 178.109 177.300 -0.049 0.000 1.147 21 P CA 1.860 64.934 63.100 -0.042 0.000 0.958 21 P CB 0.115 31.794 31.700 -0.035 0.000 0.788 22 E N -0.422 119.743 120.200 -0.058 0.000 2.171 22 E HA -0.213 4.174 4.350 0.062 0.000 0.197 22 E C 1.873 178.431 176.600 -0.070 0.000 0.997 22 E CA 1.200 57.572 56.400 -0.046 0.000 0.810 22 E CB -0.495 29.200 29.700 -0.008 0.000 0.738 22 E HN 0.550 nan 8.360 nan 0.000 0.467 23 E N -0.030 120.036 120.200 -0.223 0.000 2.371 23 E HA 0.005 4.393 4.350 0.062 0.000 0.194 23 E C 1.528 178.225 176.600 0.162 0.000 1.012 23 E CA 0.082 56.199 56.400 -0.472 0.000 0.860 23 E CB 0.121 29.381 29.700 -0.733 0.000 0.811 23 E HN 0.186 nan 8.360 nan 0.000 0.502 24 L N 1.148 122.420 121.223 0.083 0.000 2.611 24 L HA 0.168 4.545 4.340 0.062 0.000 0.229 24 L C 0.361 177.294 176.870 0.105 0.000 1.137 24 L CA 0.086 54.990 54.840 0.107 0.000 0.901 24 L CB -0.060 42.014 42.059 0.025 0.000 1.098 24 L HN 0.026 nan 8.230 nan 0.000 0.456 25 R N -1.165 119.415 120.500 0.133 0.000 3.033 25 R HA 0.369 4.747 4.340 0.062 0.000 0.236 25 R C -3.109 173.193 176.300 0.004 0.000 1.774 25 R CA -1.391 54.728 56.100 0.032 0.000 1.401 25 R CB -0.048 30.214 30.300 -0.063 0.000 1.539 25 R HN -0.171 nan 8.270 nan 0.000 0.618 26 P HA 0.065 nan 4.420 nan 0.000 0.273 26 P C -0.847 176.457 177.300 0.006 0.000 1.250 26 P CA -0.110 63.052 63.100 0.103 0.000 0.793 26 P CB 0.405 32.069 31.700 -0.060 0.000 1.011 27 W N -0.863 120.470 121.300 0.054 0.000 2.361 27 W HA 0.663 5.360 4.660 0.062 0.000 0.309 27 W C 0.845 177.370 176.519 0.010 0.000 1.122 27 W CA -0.365 57.005 57.345 0.043 0.000 1.208 27 W CB -0.408 29.088 29.460 0.059 0.000 1.246 27 W HN 0.220 nan 8.180 nan 0.000 0.490 28 R N 1.152 121.778 120.500 0.210 0.000 2.486 28 R HA 1.005 5.383 4.340 0.062 0.000 0.286 28 R C -1.062 175.319 176.300 0.135 0.000 0.999 28 R CA -0.192 55.984 56.100 0.127 0.000 0.993 28 R CB 0.380 30.727 30.300 0.078 0.000 1.084 28 R HN 1.252 nan 8.270 nan 0.000 0.487 29 L N -0.224 121.058 121.223 0.100 0.000 2.505 29 L HA 0.954 5.331 4.340 0.062 0.000 0.266 29 L C 0.089 177.013 176.870 0.090 0.000 0.954 29 L CA -0.573 54.328 54.840 0.102 0.000 0.852 29 L CB 0.781 42.893 42.059 0.089 0.000 1.282 29 L HN 1.406 nan 8.230 nan 0.000 0.403 30 E N 1.572 121.840 120.200 0.114 0.000 2.277 30 E HA 0.791 5.178 4.350 0.062 0.000 0.274 30 E C -0.138 176.548 176.600 0.142 0.000 1.022 30 E CA 0.077 56.539 56.400 0.103 0.000 0.853 30 E CB 1.657 31.406 29.700 0.081 0.000 1.086 30 E HN 1.858 nan 8.360 nan 0.000 0.397 31 V N 0.114 120.095 119.914 0.112 0.000 3.406 31 V HA 0.756 4.913 4.120 0.062 0.000 0.305 31 V C 0.083 176.263 176.094 0.143 0.000 1.136 31 V CA -0.802 61.580 62.300 0.135 0.000 1.011 31 V CB 1.851 33.729 31.823 0.091 0.000 1.221 31 V HN 0.667 nan 8.190 nan 0.000 0.454 32 V N 0.437 120.444 119.914 0.155 0.000 2.483 32 V HA 0.613 4.770 4.120 0.062 0.000 0.297 32 V C -0.045 176.114 176.094 0.107 0.000 1.027 32 V CA -0.421 61.954 62.300 0.125 0.000 0.855 32 V CB 1.321 33.232 31.823 0.148 0.000 0.995 32 V HN 0.906 nan 8.190 nan 0.000 0.424 33 L N 1.492 122.759 121.223 0.073 0.000 2.272 33 L HA 0.901 5.278 4.340 0.062 0.000 0.284 33 L C 0.186 177.086 176.870 0.050 0.000 1.045 33 L CA 0.319 55.195 54.840 0.061 0.000 0.842 33 L CB 0.241 42.326 42.059 0.042 0.000 1.224 33 L HN 0.966 nan 8.230 nan 0.000 0.430 34 D N 3.954 124.387 120.400 0.055 0.000 2.420 34 D HA 0.667 5.345 4.640 0.062 0.000 0.255 34 D C -2.419 173.902 176.300 0.036 0.000 1.185 34 D CA -1.039 52.986 54.000 0.041 0.000 0.904 34 D CB 1.417 42.241 40.800 0.040 0.000 1.102 34 D HN 0.665 nan 8.370 nan 0.000 0.534 35 P HA 0.517 nan 4.420 nan 0.000 0.278 35 P C -2.717 174.598 177.300 0.026 0.000 1.258 35 P CA -1.430 61.684 63.100 0.024 0.000 0.811 35 P CB 0.310 32.021 31.700 0.018 0.000 1.063 36 P HA 0.076 nan 4.420 nan 0.000 0.267 36 P C -1.961 175.350 177.300 0.018 0.000 1.195 36 P CA -0.211 62.901 63.100 0.019 0.000 0.773 36 P CB -1.056 30.652 31.700 0.014 0.000 0.837 37 P HA 0.266 nan 4.420 nan 0.000 0.333 37 P C 0.204 177.510 177.300 0.010 0.000 1.343 37 P CA -0.141 62.967 63.100 0.013 0.000 0.761 37 P CB 0.133 31.840 31.700 0.011 0.000 1.701 38 G N -3.125 105.679 108.800 0.007 0.000 3.251 38 G HA2 0.504 4.502 3.960 0.062 0.000 0.248 38 G HA3 0.504 4.502 3.960 0.062 0.000 0.248 38 G C 0.577 175.479 174.900 0.003 0.000 1.320 38 G CA -0.159 44.944 45.100 0.005 0.000 0.982 38 G HN 0.348 nan 8.290 nan 0.000 0.575 39 R N -1.719 118.782 120.500 0.002 0.000 2.276 39 R HA 0.497 4.874 4.340 0.062 0.000 0.203 39 R C 1.619 177.919 176.300 -0.000 0.000 1.017 39 R CA 2.188 58.288 56.100 0.001 0.000 1.010 39 R CB -1.134 29.166 30.300 -0.000 0.000 0.900 39 R HN 1.038 nan 8.270 nan 0.000 0.469 40 E N -1.748 118.453 120.200 0.000 0.000 2.633 40 E HA 0.317 4.705 4.350 0.062 0.000 0.214 40 E C 1.038 177.638 176.600 -0.000 0.000 0.898 40 E CA 0.426 56.825 56.400 -0.001 0.000 1.422 40 E CB -0.086 29.613 29.700 -0.001 0.000 1.398 40 E HN 0.740 nan 8.360 nan 0.000 0.752 41 E N 0.642 120.843 120.200 0.002 0.000 2.676 41 E HA 0.449 4.837 4.350 0.062 0.000 0.318 41 E C 0.912 177.513 176.600 0.002 0.000 1.514 41 E CA 0.676 57.077 56.400 0.003 0.000 1.667 41 E CB -0.794 28.909 29.700 0.005 0.000 1.336 41 E HN 0.614 nan 8.360 nan 0.000 0.492 42 V N -2.332 117.581 119.914 -0.001 0.000 3.359 42 V HA 0.130 4.288 4.120 0.062 0.000 0.270 42 V C 2.264 178.354 176.094 -0.007 0.000 1.583 42 V CA 0.681 62.980 62.300 -0.003 0.000 1.019 42 V CB -0.859 30.963 31.823 -0.003 0.000 0.831 42 V HN 0.783 nan 8.190 nan 0.000 0.426 43 Y N 1.044 121.340 120.300 -0.007 0.000 2.337 43 Y HA 0.110 4.697 4.550 0.062 0.000 0.293 43 Y C 0.585 176.479 175.900 -0.010 0.000 1.123 43 Y CA 1.843 59.938 58.100 -0.009 0.000 1.201 43 Y CB -1.650 36.806 38.460 -0.007 0.000 1.011 43 Y HN 0.563 nan 8.280 nan 0.000 0.545 44 P HA 0.185 nan 4.420 nan 0.000 0.277 44 P C 1.159 178.451 177.300 -0.013 0.000 1.260 44 P CA 0.500 63.594 63.100 -0.009 0.000 0.878 44 P CB 0.782 32.479 31.700 -0.004 0.000 1.319 45 L N -0.762 120.454 121.223 -0.011 0.000 2.515 45 L HA 0.271 4.648 4.340 0.062 0.000 0.223 45 L C 2.131 178.988 176.870 -0.022 0.000 1.079 45 L CA 0.282 55.115 54.840 -0.011 0.000 0.857 45 L CB 0.070 42.130 42.059 0.001 0.000 1.050 45 L HN -0.139 nan 8.230 nan 0.000 0.476 46 L N -0.766 120.444 121.223 -0.023 0.000 2.307 46 L HA 0.202 4.580 4.340 0.062 0.000 0.211 46 L C 1.746 178.589 176.870 -0.045 0.000 1.099 46 L CA 0.763 55.584 54.840 -0.031 0.000 0.816 46 L CB 0.096 42.143 42.059 -0.020 0.000 0.952 46 L HN 0.137 nan 8.230 nan 0.000 0.455 47 A N -0.410 122.388 122.820 -0.037 0.000 2.640 47 A HA 0.138 4.496 4.320 0.062 0.000 0.282 47 A C 1.179 178.737 177.584 -0.044 0.000 1.357 47 A CA 0.172 52.186 52.037 -0.038 0.000 0.946 47 A CB -0.343 18.642 19.000 -0.025 0.000 1.065 47 A HN 0.688 nan 8.150 nan 0.000 0.541 48 Q N -2.345 117.418 119.800 -0.061 0.000 2.157 48 Q HA 0.236 4.613 4.340 0.062 0.000 0.235 48 Q C 0.324 176.242 176.000 -0.137 0.000 0.803 48 Q CA 0.599 56.360 55.803 -0.069 0.000 0.967 48 Q CB 0.243 28.957 28.738 -0.041 0.000 1.150 48 Q HN 0.126 nan 8.270 nan 0.000 0.482 49 V N 0.547 120.346 119.914 -0.192 0.000 3.085 49 V HA 0.223 4.381 4.120 0.062 0.000 0.245 49 V C 2.251 178.176 176.094 -0.282 0.000 1.114 49 V CA 1.154 63.228 62.300 -0.377 0.000 1.108 49 V CB 0.243 31.819 31.823 -0.412 0.000 0.798 49 V HN 0.450 nan 8.190 nan 0.000 0.471 50 A N 0.638 123.363 122.820 -0.159 0.000 2.178 50 A HA -0.113 4.245 4.320 0.062 0.000 0.218 50 A C 2.358 179.890 177.584 -0.087 0.000 1.157 50 A CA 2.089 54.063 52.037 -0.105 0.000 0.689 50 A CB -0.491 18.467 19.000 -0.070 0.000 0.787 50 A HN 0.527 nan 8.150 nan 0.000 0.465 51 R N -0.424 120.020 120.500 -0.094 0.000 2.142 51 R HA 0.185 4.563 4.340 0.062 0.000 0.204 51 R C 2.068 178.331 176.300 -0.061 0.000 1.059 51 R CA 1.113 57.178 56.100 -0.059 0.000 1.055 51 R CB -0.760 29.515 30.300 -0.040 0.000 0.976 51 R HN 0.414 nan 8.270 nan 0.000 0.483 52 R N 1.085 121.521 120.500 -0.107 0.000 2.241 52 R HA 0.104 4.481 4.340 0.062 0.000 0.224 52 R C 2.137 178.416 176.300 -0.035 0.000 1.101 52 R CA 1.560 57.613 56.100 -0.078 0.000 0.995 52 R CB -0.818 29.389 30.300 -0.154 0.000 0.870 52 R HN 0.515 nan 8.270 nan 0.000 0.463 53 A N -0.573 122.205 122.820 -0.070 0.000 1.898 53 A HA 0.298 4.656 4.320 0.062 0.000 0.216 53 A C 1.169 178.754 177.584 0.001 0.000 1.181 53 A CA 1.205 53.231 52.037 -0.018 0.000 0.620 53 A CB -0.785 18.189 19.000 -0.042 0.000 0.819 53 A HN 0.623 nan 8.150 nan 0.000 0.442 54 G N -3.783 105.014 108.800 -0.005 0.000 2.655 54 G HA2 0.403 4.401 3.960 0.062 0.000 0.680 54 G HA3 0.403 4.401 3.960 0.062 0.000 0.680 54 G C 0.961 175.866 174.900 0.007 0.000 1.302 54 G CA 0.233 45.337 45.100 0.006 0.000 0.872 54 G HN 2.279 nan 8.290 nan 0.000 0.540 55 G N -1.748 107.062 108.800 0.018 0.000 2.565 55 G HA2 0.274 4.271 3.960 0.062 0.000 0.295 55 G HA3 0.274 4.271 3.960 0.062 0.000 0.295 55 G C 1.327 176.261 174.900 0.057 0.000 1.165 55 G CA 2.490 47.609 45.100 0.032 0.000 0.977 55 G HN 2.625 nan 8.290 nan 0.000 0.546 56 V N 0.677 120.640 119.914 0.082 0.000 2.572 56 V HA 0.687 4.845 4.120 0.062 0.000 0.274 56 V C 0.710 176.836 176.094 0.054 0.000 1.075 56 V CA 0.792 63.159 62.300 0.112 0.000 1.237 56 V CB 0.346 32.319 31.823 0.250 0.000 1.517 56 V HN 1.342 nan 8.190 nan 0.000 0.616 57 T N -0.019 114.544 114.554 0.014 0.000 2.780 57 T HA 0.816 5.203 4.350 0.062 0.000 0.294 57 T C -0.250 174.430 174.700 -0.035 0.000 0.949 57 T CA 0.174 62.262 62.100 -0.020 0.000 1.074 57 T CB 1.307 70.159 68.868 -0.027 0.000 0.910 57 T HN 1.709 nan 8.240 nan 0.000 0.501 58 V N 0.066 119.945 119.914 -0.059 0.000 2.817 58 V HA 0.864 5.021 4.120 0.062 0.000 0.303 58 V C 0.252 176.306 176.094 -0.067 0.000 1.151 58 V CA -1.442 60.822 62.300 -0.061 0.000 0.929 58 V CB 1.100 32.883 31.823 -0.066 0.000 1.030 58 V HN 1.269 nan 8.190 nan 0.000 0.427 59 R N 3.232 123.702 120.500 -0.051 0.000 2.802 59 R HA 0.578 4.956 4.340 0.062 0.000 0.264 59 R C 0.011 176.284 176.300 -0.044 0.000 0.996 59 R CA 1.207 57.282 56.100 -0.042 0.000 1.123 59 R CB 0.045 30.324 30.300 -0.035 0.000 0.996 59 R HN 2.059 nan 8.270 nan 0.000 0.444 60 M N 1.703 121.284 119.600 -0.032 0.000 2.389 60 M HA 0.431 4.948 4.480 0.062 0.000 0.206 60 M C 0.775 177.065 176.300 -0.017 0.000 0.976 60 M CA -0.033 55.250 55.300 -0.028 0.000 0.648 60 M CB 0.166 32.751 32.600 -0.025 0.000 1.474 60 M HN 1.695 nan 8.290 nan 0.000 0.398 61 G N 1.005 109.795 108.800 -0.018 0.000 2.596 61 G HA2 -0.349 3.648 3.960 0.062 0.000 0.304 61 G HA3 -0.349 3.648 3.960 0.062 0.000 0.304 61 G C 0.180 175.074 174.900 -0.010 0.000 1.189 61 G CA 0.462 45.554 45.100 -0.013 0.000 0.986 61 G HN 1.087 nan 8.290 nan 0.000 0.548 62 D N 1.340 121.736 120.400 -0.006 0.000 2.597 62 D HA 0.617 5.294 4.640 0.062 0.000 0.228 62 D C 1.323 177.624 176.300 0.002 0.000 1.120 62 D CA 1.716 55.715 54.000 -0.002 0.000 1.083 62 D CB -0.613 40.187 40.800 0.000 0.000 1.116 62 D HN 2.262 nan 8.370 nan 0.000 0.487 63 G N -1.978 106.821 108.800 -0.002 0.000 2.340 63 G HA2 0.591 4.588 3.960 0.062 0.000 0.282 63 G HA3 0.591 4.588 3.960 0.062 0.000 0.282 63 G C -0.822 174.073 174.900 -0.008 0.000 1.312 63 G CA -0.001 45.100 45.100 0.003 0.000 0.942 63 G HN 1.561 nan 8.290 nan 0.000 0.495 64 L N -1.905 119.317 121.223 -0.002 0.000 2.350 64 L HA 1.114 5.491 4.340 0.062 0.000 0.260 64 L C 0.441 177.309 176.870 -0.004 0.000 1.015 64 L CA -0.153 54.679 54.840 -0.013 0.000 0.821 64 L CB 1.120 43.166 42.059 -0.021 0.000 1.370 64 L HN 2.768 nan 8.230 nan 0.000 0.416 65 A N 0.289 123.094 122.820 -0.025 0.000 2.479 65 A HA 0.990 5.348 4.320 0.062 0.000 0.296 65 A C -0.253 177.311 177.584 -0.033 0.000 1.121 65 A CA -0.133 51.891 52.037 -0.022 0.000 0.743 65 A CB 1.730 20.686 19.000 -0.074 0.000 1.323 65 A HN 2.129 nan 8.150 nan 0.000 0.415 66 S N -1.170 114.545 115.700 0.024 0.000 2.579 66 S HA 0.556 5.064 4.470 0.062 0.000 0.272 66 S C -0.880 173.864 174.600 0.240 0.000 1.141 66 S CA -0.377 57.854 58.200 0.052 0.000 0.843 66 S CB 0.786 64.002 63.200 0.026 0.000 1.122 66 S HN 0.686 nan 8.310 nan 0.000 0.468 67 W N 1.603 123.053 121.300 0.249 0.000 2.996 67 W HA 0.337 5.034 4.660 0.062 0.000 0.270 67 W C 0.663 177.347 176.519 0.274 0.000 1.280 67 W CA -0.291 57.275 57.345 0.368 0.000 1.549 67 W CB -0.598 29.003 29.460 0.235 0.000 1.079 67 W HN 0.466 nan 8.180 nan 0.000 0.629 68 S N 1.464 117.268 115.700 0.174 0.000 2.548 68 S HA 0.208 4.716 4.470 0.062 0.000 0.277 68 S C -2.196 171.960 174.600 -0.739 0.000 1.315 68 S CA -0.971 57.149 58.200 -0.134 0.000 1.050 68 S CB 0.951 64.101 63.200 -0.083 0.000 0.918 68 S HN -0.256 nan 8.310 nan 0.000 0.497 69 P HA 0.051 nan 4.420 nan 0.000 0.264 69 P C -1.863 174.993 177.300 -0.741 0.000 1.183 69 P CA -0.996 61.304 63.100 -1.334 0.000 0.763 69 P CB 0.022 31.327 31.700 -0.659 0.000 0.807 70 P HA -0.081 nan 4.420 nan 0.000 0.233 70 P C 0.554 177.748 177.300 -0.177 0.000 1.167 70 P CA 1.203 64.138 63.100 -0.275 0.000 0.770 70 P CB 0.189 31.812 31.700 -0.128 0.000 0.837 71 E N -0.128 119.958 120.200 -0.190 0.000 2.299 71 E HA -0.055 4.332 4.350 0.062 0.000 0.193 71 E C 1.761 178.300 176.600 -0.102 0.000 0.998 71 E CA 0.663 56.994 56.400 -0.116 0.000 0.851 71 E CB -0.701 28.945 29.700 -0.090 0.000 0.795 71 E HN 0.227 nan 8.360 nan 0.000 0.492 72 V N -1.591 118.244 119.914 -0.132 0.000 3.647 72 V HA 0.220 4.378 4.120 0.062 0.000 0.279 72 V C 0.659 176.706 176.094 -0.078 0.000 1.314 72 V CA -0.177 62.067 62.300 -0.093 0.000 1.125 72 V CB -0.641 31.129 31.823 -0.088 0.000 0.907 72 V HN 0.024 nan 8.190 nan 0.000 0.434 73 L N 1.248 122.414 121.223 -0.094 0.000 2.467 73 L HA 0.265 4.642 4.340 0.062 0.000 0.270 73 L C 0.100 176.961 176.870 -0.014 0.000 1.205 73 L CA -0.257 54.552 54.840 -0.052 0.000 0.828 73 L CB 1.066 43.091 42.059 -0.056 0.000 1.101 73 L HN 0.039 nan 8.230 nan 0.000 0.479 74 V N 3.757 123.689 119.914 0.030 0.000 2.372 74 V HA 0.068 4.225 4.120 0.062 0.000 0.261 74 V C 1.328 177.505 176.094 0.137 0.000 1.055 74 V CA 0.127 62.468 62.300 0.068 0.000 0.930 74 V CB 0.705 32.587 31.823 0.099 0.000 1.031 74 V HN 0.759 nan 8.190 nan 0.000 0.479 75 L N 4.039 125.296 121.223 0.056 0.000 2.168 75 L HA 0.352 4.730 4.340 0.062 0.000 0.203 75 L C 1.117 177.977 176.870 -0.016 0.000 1.078 75 L CA 1.152 56.022 54.840 0.050 0.000 0.780 75 L CB -0.666 41.367 42.059 -0.042 0.000 0.939 75 L HN 0.731 nan 8.230 nan 0.000 0.451 76 E N -0.270 119.839 120.200 -0.152 0.000 2.145 76 E HA 0.577 4.965 4.350 0.062 0.000 0.262 76 E C 0.126 176.446 176.600 -0.467 0.000 0.883 76 E CA 0.116 56.319 56.400 -0.328 0.000 0.748 76 E CB 1.330 30.911 29.700 -0.198 0.000 1.140 76 E HN 0.545 nan 8.360 nan 0.000 0.417 77 G N 0.996 109.204 108.800 -0.988 0.000 2.911 77 G HA2 0.621 4.619 3.960 0.062 0.000 0.299 77 G HA3 0.621 4.619 3.960 0.062 0.000 0.299 77 G C -1.125 173.453 174.900 -0.538 0.000 1.283 77 G CA -0.520 44.155 45.100 -0.708 0.000 0.805 77 G HN 0.283 nan 8.290 nan 0.000 0.548 78 T N -2.017 112.459 114.554 -0.131 0.000 3.483 78 T HA 0.696 5.084 4.350 0.062 0.000 0.329 78 T C -0.943 173.834 174.700 0.127 0.000 1.014 78 T CA 0.531 62.640 62.100 0.015 0.000 1.056 78 T CB 0.135 68.989 68.868 -0.024 0.000 1.090 78 T HN 1.960 nan 8.240 nan 0.000 0.460 79 L N 1.939 123.265 121.223 0.172 0.000 2.491 79 L HA 1.132 5.510 4.340 0.062 0.000 0.254 79 L C -0.529 176.393 176.870 0.087 0.000 1.048 79 L CA -0.703 54.214 54.840 0.128 0.000 0.855 79 L CB 0.909 43.051 42.059 0.139 0.000 1.466 79 L HN 1.488 nan 8.230 nan 0.000 0.409 80 A N -0.044 122.810 122.820 0.057 0.000 2.589 80 A HA 1.082 5.440 4.320 0.062 0.000 0.296 80 A C -0.189 177.412 177.584 0.029 0.000 1.062 80 A CA 0.130 52.192 52.037 0.041 0.000 0.686 80 A CB 1.069 20.090 19.000 0.036 0.000 1.282 80 A HN 2.706 nan 8.150 nan 0.000 0.404 81 R N 0.043 120.557 120.500 0.023 0.000 2.573 81 R HA 0.872 5.250 4.340 0.062 0.000 0.272 81 R C 0.599 176.909 176.300 0.017 0.000 1.009 81 R CA 0.029 56.140 56.100 0.017 0.000 1.059 81 R CB -0.022 30.286 30.300 0.013 0.000 1.112 81 R HN 2.503 nan 8.270 nan 0.000 0.517 82 M N 1.347 120.955 119.600 0.015 0.000 2.612 82 M HA 0.463 4.981 4.480 0.062 0.000 0.336 82 M C 1.445 177.753 176.300 0.012 0.000 1.699 82 M CA 0.995 56.303 55.300 0.014 0.000 1.284 82 M CB -1.228 31.379 32.600 0.013 0.000 1.957 82 M HN 2.275 nan 8.290 nan 0.000 0.456 83 G N 0.101 108.909 108.800 0.013 0.000 4.020 83 G HA2 0.473 4.470 3.960 0.062 0.000 0.195 83 G HA3 0.473 4.470 3.960 0.062 0.000 0.195 83 G C 0.221 175.129 174.900 0.013 0.000 1.819 83 G CA 0.607 45.714 45.100 0.012 0.000 1.109 83 G HN 2.127 nan 8.290 nan 0.000 0.385 84 Q N 0.719 120.528 119.800 0.016 0.000 2.347 84 Q HA 0.806 5.183 4.340 0.062 0.000 0.262 84 Q C 0.087 176.101 176.000 0.024 0.000 0.980 84 Q CA 0.492 56.306 55.803 0.018 0.000 0.867 84 Q CB 0.483 29.232 28.738 0.019 0.000 1.242 84 Q HN 1.915 nan 8.270 nan 0.000 0.453 85 T N 1.220 115.789 114.554 0.024 0.000 2.997 85 T HA 0.569 4.957 4.350 0.062 0.000 0.311 85 T C 0.379 175.100 174.700 0.036 0.000 1.079 85 T CA 0.211 62.329 62.100 0.029 0.000 0.982 85 T CB -1.250 67.632 68.868 0.023 0.000 1.032 85 T HN 1.227 nan 8.240 nan 0.000 0.581 86 Y N 0.275 120.605 120.300 0.050 0.000 2.258 86 Y HA 0.679 5.267 4.550 0.062 0.000 0.345 86 Y C 0.688 176.633 175.900 0.076 0.000 1.303 86 Y CA -1.712 56.426 58.100 0.065 0.000 1.537 86 Y CB 0.526 39.034 38.460 0.081 0.000 1.383 86 Y HN 1.350 nan 8.280 nan 0.000 0.606 87 A N 1.549 124.415 122.820 0.077 0.000 2.611 87 A HA 0.556 4.914 4.320 0.062 0.000 0.282 87 A C -0.892 176.714 177.584 0.036 0.000 1.114 87 A CA -0.558 51.498 52.037 0.031 0.000 0.800 87 A CB -0.592 18.396 19.000 -0.021 0.000 1.325 87 A HN 1.772 nan 8.150 nan 0.000 0.411 88 Y N 0.606 120.916 120.300 0.016 0.000 2.314 88 Y HA 0.844 5.431 4.550 0.063 0.000 0.334 88 Y C 0.149 176.060 175.900 0.020 0.000 1.266 88 Y CA -0.950 57.163 58.100 0.022 0.000 1.391 88 Y CB 0.577 39.047 38.460 0.018 0.000 1.306 88 Y HN 0.701 nan 8.280 nan 0.000 0.558 89 R N 2.531 123.120 120.500 0.148 0.000 2.566 89 R HA 0.498 4.875 4.340 0.062 0.000 0.271 89 R C -2.632 173.756 176.300 0.148 0.000 1.071 89 R CA -0.635 55.499 56.100 0.057 0.000 0.915 89 R CB 1.068 31.381 30.300 0.022 0.000 1.228 89 R HN 0.816 nan 8.270 nan 0.000 0.449 90 L N 5.227 126.491 121.223 0.067 0.000 2.287 90 L HA 0.491 4.869 4.340 0.062 0.000 0.287 90 L C -0.836 176.011 176.870 -0.038 0.000 1.022 90 L CA -0.531 54.359 54.840 0.083 0.000 0.814 90 L CB 0.919 43.033 42.059 0.092 0.000 1.217 90 L HN 0.732 nan 8.230 nan 0.000 0.420 91 Y N 3.860 124.190 120.300 0.051 0.000 2.420 91 Y HA 0.608 5.196 4.550 0.062 0.000 0.334 91 Y C -1.531 174.399 175.900 0.051 0.000 1.094 91 Y CA -0.910 57.216 58.100 0.044 0.000 1.126 91 Y CB 1.083 39.566 38.460 0.037 0.000 1.217 91 Y HN 0.484 nan 8.280 nan 0.000 0.462 92 P HA 0.553 nan 4.420 nan 0.000 0.306 92 P C -0.454 176.934 177.300 0.148 0.000 1.309 92 P CA 0.649 63.845 63.100 0.160 0.000 0.759 92 P CB 0.761 32.549 31.700 0.146 0.000 1.314 93 K N -1.731 118.748 120.400 0.132 0.000 2.598 93 K HA 0.569 4.926 4.320 0.062 0.000 0.185 93 K C 0.855 177.508 176.600 0.089 0.000 1.458 93 K CA 1.546 57.892 56.287 0.098 0.000 1.079 93 K CB -0.258 32.289 32.500 0.080 0.000 1.253 93 K HN 1.905 nan 8.250 nan 0.000 0.592 94 G N 0.421 109.292 108.800 0.118 0.000 2.725 94 G HA2 -0.121 3.876 3.960 0.062 0.000 0.220 94 G HA3 -0.121 3.876 3.960 0.062 0.000 0.220 94 G C -0.674 174.256 174.900 0.051 0.000 1.357 94 G CA -0.265 44.888 45.100 0.088 0.000 0.866 94 G HN 0.758 nan 8.290 nan 0.000 0.548 95 R N -0.323 120.149 120.500 -0.047 0.000 2.562 95 R HA 0.851 5.229 4.340 0.062 0.000 0.298 95 R C 0.231 176.474 176.300 -0.094 0.000 0.961 95 R CA -0.109 55.911 56.100 -0.135 0.000 0.881 95 R CB 1.738 31.807 30.300 -0.386 0.000 1.159 95 R HN 1.140 nan 8.270 nan 0.000 0.450 96 R N 2.625 123.085 120.500 -0.067 0.000 2.575 96 R HA 0.467 4.844 4.340 0.062 0.000 0.293 96 R C -2.897 173.385 176.300 -0.031 0.000 0.983 96 R CA -2.019 54.056 56.100 -0.042 0.000 0.887 96 R CB 0.388 30.677 30.300 -0.019 0.000 1.184 96 R HN 0.423 nan 8.270 nan 0.000 0.445 97 P HA 0.344 nan 4.420 nan 0.000 0.269 97 P C -0.858 176.447 177.300 0.008 0.000 1.211 97 P CA -0.215 62.880 63.100 -0.008 0.000 0.781 97 P CB 0.488 32.180 31.700 -0.013 0.000 0.877 98 L N 1.700 122.938 121.223 0.024 0.000 2.376 98 L HA 0.507 4.884 4.340 0.062 0.000 0.258 98 L C -0.847 176.037 176.870 0.024 0.000 1.013 98 L CA -0.430 54.426 54.840 0.027 0.000 0.822 98 L CB 1.952 44.038 42.059 0.045 0.000 1.388 98 L HN 0.363 nan 8.230 nan 0.000 0.413 99 D N -0.279 120.132 120.400 0.019 0.000 2.649 99 D HA 0.514 5.191 4.640 0.062 0.000 0.249 99 D C -2.530 173.779 176.300 0.015 0.000 1.112 99 D CA -1.936 52.072 54.000 0.013 0.000 0.850 99 D CB 1.851 42.656 40.800 0.008 0.000 1.399 99 D HN 0.091 nan 8.370 nan 0.000 0.503 100 P HA -0.075 nan 4.420 nan 0.000 0.215 100 P C 1.156 178.466 177.300 0.016 0.000 1.157 100 P CA 1.024 64.131 63.100 0.011 0.000 0.856 100 P CB 0.298 31.997 31.700 -0.003 0.000 0.786 101 K N 0.188 120.595 120.400 0.011 0.000 2.127 101 K HA -0.148 4.209 4.320 0.062 0.000 0.208 101 K C 0.916 177.524 176.600 0.014 0.000 1.047 101 K CA 0.939 57.233 56.287 0.012 0.000 0.927 101 K CB -1.197 31.308 32.500 0.008 0.000 0.716 101 K HN 0.335 nan 8.250 nan 0.000 0.450 102 D N 1.637 122.044 120.400 0.013 0.000 2.348 102 D HA 0.015 4.692 4.640 0.062 0.000 0.253 102 D C -1.685 174.624 176.300 0.016 0.000 1.161 102 D CA -1.776 52.232 54.000 0.012 0.000 0.876 102 D CB 1.684 42.489 40.800 0.009 0.000 1.160 102 D HN -0.091 nan 8.370 nan 0.000 0.459 103 P HA -0.046 nan 4.420 nan 0.000 0.219 103 P C 1.358 178.666 177.300 0.013 0.000 1.150 103 P CA 0.734 63.844 63.100 0.016 0.000 0.814 103 P CB 0.110 31.816 31.700 0.011 0.000 0.787 104 G N -0.074 108.731 108.800 0.009 0.000 2.432 104 G HA2 -0.266 3.732 3.960 0.062 0.000 0.219 104 G HA3 -0.266 3.732 3.960 0.062 0.000 0.219 104 G C 1.747 176.651 174.900 0.006 0.000 1.135 104 G CA 1.321 46.423 45.100 0.005 0.000 0.767 104 G HN 0.425 nan 8.290 nan 0.000 0.550 105 E N 0.185 120.392 120.200 0.011 0.000 2.190 105 E HA 0.105 4.493 4.350 0.062 0.000 0.191 105 E C 2.541 179.156 176.600 0.025 0.000 0.978 105 E CA 1.440 57.849 56.400 0.014 0.000 0.839 105 E CB -0.879 28.831 29.700 0.017 0.000 0.787 105 E HN 0.588 nan 8.360 nan 0.000 0.473 106 R N 0.931 121.450 120.500 0.031 0.000 2.127 106 R HA -0.086 4.291 4.340 0.062 0.000 0.238 106 R C 2.687 179.021 176.300 0.057 0.000 1.134 106 R CA 2.026 58.157 56.100 0.051 0.000 0.975 106 R CB -1.481 28.855 30.300 0.059 0.000 0.865 106 R HN 0.469 nan 8.270 nan 0.000 0.447 107 S N 0.521 116.240 115.700 0.032 0.000 2.368 107 S HA -0.143 4.365 4.470 0.062 0.000 0.225 107 S C 2.333 176.942 174.600 0.015 0.000 1.030 107 S CA 1.676 59.888 58.200 0.019 0.000 0.999 107 S CB -0.242 62.958 63.200 -0.000 0.000 0.844 107 S HN 0.645 nan 8.310 nan 0.000 0.459 108 V N 0.688 120.602 119.914 0.001 0.000 2.488 108 V HA 0.011 4.168 4.120 0.062 0.000 0.246 108 V C 2.019 178.087 176.094 -0.044 0.000 1.046 108 V CA 1.047 63.331 62.300 -0.026 0.000 1.053 108 V CB -1.206 30.592 31.823 -0.041 0.000 0.679 108 V HN 0.350 nan 8.190 nan 0.000 0.458 109 L N 2.152 123.369 121.223 -0.010 0.000 2.079 109 L HA -0.171 4.206 4.340 0.062 0.000 0.210 109 L C 3.041 179.963 176.870 0.087 0.000 1.081 109 L CA 2.035 56.885 54.840 0.016 0.000 0.752 109 L CB -0.890 41.238 42.059 0.115 0.000 0.896 109 L HN 0.610 nan 8.230 nan 0.000 0.433 110 S N 0.421 116.198 115.700 0.127 0.000 2.359 110 S HA -0.221 4.287 4.470 0.062 0.000 0.224 110 S C 2.147 176.836 174.600 0.148 0.000 1.035 110 S CA 1.018 59.342 58.200 0.206 0.000 1.018 110 S CB -0.538 62.790 63.200 0.214 0.000 0.876 110 S HN 0.354 nan 8.310 nan 0.000 0.448 111 A N 1.176 124.031 122.820 0.058 0.000 2.067 111 A HA 0.268 4.626 4.320 0.062 0.000 0.219 111 A C 2.252 179.825 177.584 -0.017 0.000 1.158 111 A CA 0.988 53.038 52.037 0.021 0.000 0.661 111 A CB -0.638 18.355 19.000 -0.011 0.000 0.801 111 A HN 0.573 nan 8.150 nan 0.000 0.452 112 L N -1.176 119.993 121.223 -0.090 0.000 2.049 112 L HA -0.070 4.307 4.340 0.062 0.000 0.203 112 L C 3.077 179.979 176.870 0.052 0.000 1.074 112 L CA 0.948 55.649 54.840 -0.231 0.000 0.749 112 L CB -0.518 41.052 42.059 -0.815 0.000 0.907 112 L HN 0.379 nan 8.230 nan 0.000 0.439 113 A N 0.494 123.472 122.820 0.263 0.000 1.940 113 A HA -0.253 4.104 4.320 0.062 0.000 0.219 113 A C 2.648 180.425 177.584 0.320 0.000 1.176 113 A CA 2.204 54.553 52.037 0.520 0.000 0.631 113 A CB -0.828 18.549 19.000 0.628 0.000 0.814 113 A HN 0.395 nan 8.150 nan 0.000 0.446 114 R N -1.226 119.410 120.500 0.227 0.000 2.081 114 R HA -0.115 4.263 4.340 0.062 0.000 0.235 114 R C 2.553 178.928 176.300 0.124 0.000 1.131 114 R CA 2.687 58.886 56.100 0.165 0.000 0.960 114 R CB -1.729 28.648 30.300 0.128 0.000 0.856 114 R HN 0.779 nan 8.270 nan 0.000 0.436 115 R N 0.883 121.447 120.500 0.106 0.000 2.092 115 R HA 0.222 4.600 4.340 0.062 0.000 0.231 115 R C 2.399 178.768 176.300 0.115 0.000 1.119 115 R CA 1.338 57.487 56.100 0.082 0.000 0.970 115 R CB -1.181 29.145 30.300 0.043 0.000 0.864 115 R HN 0.471 nan 8.270 nan 0.000 0.440 116 L N 0.534 121.870 121.223 0.189 0.000 1.971 116 L HA -0.169 4.208 4.340 0.062 0.000 0.215 116 L C 2.385 179.319 176.870 0.107 0.000 1.072 116 L CA 2.681 57.646 54.840 0.208 0.000 0.758 116 L CB -1.055 41.213 42.059 0.348 0.000 0.889 116 L HN 0.429 nan 8.230 nan 0.000 0.433 117 L N 0.375 121.657 121.223 0.098 0.000 1.971 117 L HA -0.288 4.089 4.340 0.062 0.000 0.215 117 L C 2.796 179.701 176.870 0.058 0.000 1.072 117 L CA 2.384 57.258 54.840 0.057 0.000 0.758 117 L CB -1.034 41.069 42.059 0.073 0.000 0.889 117 L HN 0.499 nan 8.230 nan 0.000 0.433 118 Q N -0.838 119.002 119.800 0.067 0.000 2.014 118 Q HA -0.229 4.149 4.340 0.062 0.000 0.207 118 Q C 1.415 177.447 176.000 0.053 0.000 0.993 118 Q CA 1.958 57.794 55.803 0.055 0.000 0.850 118 Q CB -0.130 28.639 28.738 0.051 0.000 0.916 118 Q HN 0.534 nan 8.270 nan 0.000 0.417 119 E N -0.892 119.343 120.200 0.057 0.000 2.403 119 E HA 0.010 4.398 4.350 0.062 0.000 0.188 119 E C 1.114 177.744 176.600 0.050 0.000 1.056 119 E CA 0.235 56.666 56.400 0.052 0.000 0.892 119 E CB 0.524 30.254 29.700 0.049 0.000 1.049 119 E HN 0.341 nan 8.360 nan 0.000 0.465 120 R N 0.038 120.565 120.500 0.046 0.000 2.404 120 R HA 0.259 4.636 4.340 0.062 0.000 0.237 120 R C 1.847 178.168 176.300 0.034 0.000 0.907 120 R CA -0.041 56.076 56.100 0.027 0.000 1.063 120 R CB -0.497 29.805 30.300 0.004 0.000 1.134 120 R HN 0.078 nan 8.270 nan 0.000 0.529 121 L N -0.407 120.849 121.223 0.054 0.000 2.416 121 L HA 0.099 4.477 4.340 0.062 0.000 0.216 121 L C 3.305 180.230 176.870 0.091 0.000 1.098 121 L CA 0.942 55.831 54.840 0.082 0.000 0.840 121 L CB -0.052 42.056 42.059 0.082 0.000 0.981 121 L HN 0.490 nan 8.230 nan 0.000 0.462 122 R N 1.649 122.193 120.500 0.074 0.000 2.091 122 R HA -0.139 4.238 4.340 0.062 0.000 0.238 122 R C 2.001 178.350 176.300 0.082 0.000 1.136 122 R CA 1.791 57.939 56.100 0.079 0.000 0.959 122 R CB -1.246 29.093 30.300 0.064 0.000 0.856 122 R HN 0.588 nan 8.270 nan 0.000 0.437 123 R N 0.455 120.994 120.500 0.064 0.000 2.480 123 R HA 0.342 4.720 4.340 0.062 0.000 0.277 123 R C 0.050 176.382 176.300 0.054 0.000 1.008 123 R CA -0.317 55.815 56.100 0.053 0.000 1.090 123 R CB -0.430 29.890 30.300 0.034 0.000 1.234 123 R HN 0.346 nan 8.270 nan 0.000 0.549 124 L N 0.354 121.627 121.223 0.082 0.000 2.543 124 L HA 0.186 4.564 4.340 0.062 0.000 0.231 124 L C 1.228 178.165 176.870 0.111 0.000 1.194 124 L CA -0.610 54.286 54.840 0.093 0.000 0.823 124 L CB 0.510 42.665 42.059 0.159 0.000 1.374 124 L HN 0.048 nan 8.230 nan 0.000 0.507 125 E N 0.964 121.240 120.200 0.127 0.000 2.402 125 E HA 0.076 4.463 4.350 0.062 0.000 0.261 125 E C 1.139 177.823 176.600 0.139 0.000 0.823 125 E CA 0.602 57.070 56.400 0.113 0.000 1.205 125 E CB -0.669 29.080 29.700 0.082 0.000 1.431 125 E HN 0.691 nan 8.360 nan 0.000 0.518 126 G N 1.884 110.779 108.800 0.157 0.000 3.263 126 G HA2 0.301 4.298 3.960 0.062 0.000 0.246 126 G HA3 0.301 4.298 3.960 0.062 0.000 0.246 126 G C -0.013 174.984 174.900 0.161 0.000 0.982 126 G CA 0.358 45.541 45.100 0.139 0.000 1.897 126 G HN 0.033 nan 8.290 nan 0.000 0.624 127 V N -3.687 116.338 119.914 0.185 0.000 2.962 127 V HA 0.839 4.996 4.120 0.062 0.000 0.313 127 V C -1.433 174.845 176.094 0.306 0.000 1.099 127 V CA -1.902 60.529 62.300 0.218 0.000 0.971 127 V CB 2.118 34.083 31.823 0.237 0.000 1.028 127 V HN 0.192 nan 8.190 nan 0.000 0.430 128 W N 3.431 124.794 121.300 0.105 0.000 2.475 128 W HA 0.815 5.513 4.660 0.063 0.000 0.320 128 W C -1.557 175.075 176.519 0.189 0.000 1.022 128 W CA -1.428 55.986 57.345 0.116 0.000 1.240 128 W CB 1.635 31.144 29.460 0.081 0.000 1.328 128 W HN 0.587 nan 8.180 nan 0.000 0.439 129 V N 6.259 126.234 119.914 0.101 0.000 2.409 129 V HA 0.277 4.434 4.120 0.062 0.000 0.291 129 V C -0.018 175.984 176.094 -0.155 0.000 1.020 129 V CA -0.723 61.569 62.300 -0.013 0.000 0.848 129 V CB 1.764 33.632 31.823 0.074 0.000 0.990 129 V HN 0.416 nan 8.190 nan 0.000 0.430 130 E N 3.869 123.964 120.200 -0.174 0.000 2.989 130 E HA 0.440 4.827 4.350 0.062 0.000 0.224 130 E C 0.988 177.559 176.600 -0.049 0.000 1.175 130 E CA 0.493 56.804 56.400 -0.149 0.000 1.300 130 E CB 0.939 30.500 29.700 -0.231 0.000 1.422 130 E HN 1.009 nan 8.360 nan 0.000 0.439 131 G N 1.413 110.201 108.800 -0.020 0.000 3.031 131 G HA2 -0.371 3.626 3.960 0.062 0.000 0.289 131 G HA3 -0.371 3.626 3.960 0.062 0.000 0.289 131 G C 0.773 175.675 174.900 0.004 0.000 1.393 131 G CA 0.154 45.255 45.100 0.001 0.000 1.010 131 G HN 0.413 nan 8.290 nan 0.000 0.579 132 L N 2.210 123.433 121.223 0.000 0.000 2.509 132 L HA 0.497 4.875 4.340 0.062 0.000 0.222 132 L C 1.855 178.701 176.870 -0.041 0.000 1.123 132 L CA 0.724 55.565 54.840 0.002 0.000 0.856 132 L CB -0.260 41.810 42.059 0.018 0.000 0.985 132 L HN 0.707 nan 8.230 nan 0.000 0.456 133 A N 0.349 123.130 122.820 -0.065 0.000 2.301 133 A HA 0.561 4.918 4.320 0.062 0.000 0.298 133 A C -0.546 176.899 177.584 -0.231 0.000 1.185 133 A CA -0.181 51.753 52.037 -0.172 0.000 0.830 133 A CB 0.994 19.958 19.000 -0.061 0.000 1.112 133 A HN -0.059 nan 8.150 nan 0.000 0.508 134 V N 3.060 122.713 119.914 -0.436 0.000 2.540 134 V HA 0.442 4.599 4.120 0.062 0.000 0.302 134 V C -1.451 174.250 176.094 -0.655 0.000 1.035 134 V CA -0.315 61.774 62.300 -0.353 0.000 0.873 134 V CB 1.526 33.228 31.823 -0.202 0.000 0.992 134 V HN 0.782 nan 8.190 nan 0.000 0.428 135 Y N 3.859 124.091 120.300 -0.114 0.000 2.326 135 Y HA 0.636 5.224 4.550 0.062 0.000 0.331 135 Y C 0.859 176.732 175.900 -0.046 0.000 0.962 135 Y CA -0.554 57.512 58.100 -0.056 0.000 1.167 135 Y CB 1.657 40.141 38.460 0.039 0.000 1.148 135 Y HN 0.614 nan 8.280 nan 0.000 0.463 136 R N 2.690 123.158 120.500 -0.053 0.000 2.279 136 R HA 0.315 4.692 4.340 0.062 0.000 0.195 136 R C 0.714 176.973 176.300 -0.069 0.000 0.905 136 R CA 0.933 56.914 56.100 -0.198 0.000 1.044 136 R CB 0.086 30.055 30.300 -0.552 0.000 1.056 136 R HN 0.790 nan 8.270 nan 0.000 0.535 137 R N -0.918 119.593 120.500 0.019 0.000 2.922 137 R HA 0.577 4.955 4.340 0.062 0.000 0.256 137 R C -1.229 175.147 176.300 0.126 0.000 1.138 137 R CA -0.748 55.388 56.100 0.059 0.000 0.995 137 R CB 1.145 31.470 30.300 0.042 0.000 1.226 137 R HN 0.124 nan 8.270 nan 0.000 0.481 138 E N 0.245 120.512 120.200 0.112 0.000 2.156 138 E HA 0.137 4.524 4.350 0.062 0.000 0.279 138 E C -0.498 176.200 176.600 0.164 0.000 0.965 138 E CA -0.469 56.004 56.400 0.122 0.000 0.789 138 E CB 1.450 31.187 29.700 0.062 0.000 1.098 138 E HN 0.585 nan 8.360 nan 0.000 0.397 139 H N 1.915 121.028 119.070 0.072 0.000 2.615 139 H HA 0.365 4.958 4.556 0.063 0.000 0.275 139 H C -0.553 174.769 175.328 -0.011 0.000 0.981 139 H CA 0.432 56.508 56.048 0.046 0.000 1.252 139 H CB 0.948 30.751 29.762 0.069 0.000 1.447 139 H HN 0.498 nan 8.280 nan 0.000 0.498 140 A N 0.180 122.990 122.820 -0.016 0.000 2.513 140 A HA 0.638 4.995 4.320 0.062 0.000 0.296 140 A C -0.846 176.723 177.584 -0.026 0.000 1.052 140 A CA -0.233 51.760 52.037 -0.074 0.000 0.714 140 A CB 0.982 19.919 19.000 -0.105 0.000 1.279 140 A HN 0.434 nan 8.150 nan 0.000 0.397 141 R N 1.060 121.538 120.500 -0.036 0.000 2.360 141 R HA 0.780 5.157 4.340 0.062 0.000 0.318 141 R C 0.225 176.504 176.300 -0.035 0.000 0.950 141 R CA -0.023 56.059 56.100 -0.031 0.000 0.837 141 R CB 1.215 31.498 30.300 -0.029 0.000 1.165 141 R HN 2.226 nan 8.270 nan 0.000 0.458 142 G N 0.528 109.308 108.800 -0.033 0.000 2.471 142 G HA2 0.717 4.715 3.960 0.062 0.000 0.332 142 G HA3 0.717 4.715 3.960 0.062 0.000 0.332 142 G C -1.918 172.964 174.900 -0.030 0.000 1.176 142 G CA -0.901 44.180 45.100 -0.031 0.000 0.949 142 G HN 0.729 nan 8.290 nan 0.000 0.488 143 P HA 0.433 nan 4.420 nan 0.000 0.258 143 P C 1.043 178.327 177.300 -0.027 0.000 1.563 143 P CA 1.264 64.348 63.100 -0.026 0.000 1.241 143 P CB -0.836 30.852 31.700 -0.022 0.000 1.811 144 G N -0.707 108.073 108.800 -0.033 0.000 2.136 144 G HA2 -0.046 3.951 3.960 0.062 0.000 0.242 144 G HA3 -0.046 3.951 3.960 0.062 0.000 0.242 144 G C 0.207 175.086 174.900 -0.034 0.000 0.989 144 G CA 0.370 45.448 45.100 -0.035 0.000 0.682 144 G HN 1.257 nan 8.290 nan 0.000 0.522 145 W N -0.432 120.848 121.300 -0.033 0.000 2.291 145 W HA 0.897 5.594 4.660 0.062 0.000 0.288 145 W C 0.131 176.633 176.519 -0.028 0.000 0.976 145 W CA -0.227 57.102 57.345 -0.027 0.000 1.744 145 W CB -0.468 28.979 29.460 -0.021 0.000 1.815 145 W HN 1.121 nan 8.180 nan 0.000 0.396 146 R N 0.685 121.162 120.500 -0.037 0.000 2.410 146 R HA 0.744 5.121 4.340 0.062 0.000 0.288 146 R C -0.494 175.811 176.300 0.007 0.000 1.051 146 R CA -0.094 55.986 56.100 -0.034 0.000 1.021 146 R CB 1.294 31.544 30.300 -0.084 0.000 1.032 146 R HN 0.976 nan 8.270 nan 0.000 0.481 147 V N 2.968 122.904 119.914 0.036 0.000 2.327 147 V HA 0.535 4.693 4.120 0.062 0.000 0.272 147 V C 0.455 176.645 176.094 0.160 0.000 1.019 147 V CA -0.512 61.838 62.300 0.083 0.000 0.814 147 V CB 0.695 32.539 31.823 0.035 0.000 1.040 147 V HN 0.984 nan 8.190 nan 0.000 0.440 148 L N 2.300 123.652 121.223 0.215 0.000 2.395 148 L HA 1.026 5.403 4.340 0.062 0.000 0.269 148 L C 0.781 177.894 176.870 0.405 0.000 1.133 148 L CA 0.256 55.277 54.840 0.300 0.000 0.812 148 L CB 0.965 43.287 42.059 0.439 0.000 1.125 148 L HN 0.844 nan 8.230 nan 0.000 0.452 149 G N 0.629 109.714 108.800 0.475 0.000 2.354 149 G HA2 0.625 4.622 3.960 0.062 0.000 0.285 149 G HA3 0.625 4.622 3.960 0.062 0.000 0.285 149 G C 0.113 175.096 174.900 0.139 0.000 1.390 149 G CA 0.690 46.078 45.100 0.479 0.000 1.231 149 G HN 1.365 nan 8.290 nan 0.000 0.603 150 G N 0.774 109.532 108.800 -0.069 0.000 2.560 150 G HA2 0.892 4.889 3.960 0.062 0.000 0.212 150 G HA3 0.892 4.889 3.960 0.062 0.000 0.212 150 G C 0.226 174.886 174.900 -0.401 0.000 2.038 150 G CA 0.545 45.457 45.100 -0.313 0.000 0.728 150 G HN 1.805 nan 8.290 nan 0.000 0.784 151 A N -1.740 120.759 122.820 -0.535 0.000 2.586 151 A HA 0.601 4.958 4.320 0.062 0.000 0.291 151 A C -1.640 175.700 177.584 -0.406 0.000 1.062 151 A CA -0.351 51.453 52.037 -0.388 0.000 0.666 151 A CB 0.860 19.711 19.000 -0.250 0.000 1.281 151 A HN 0.963 nan 8.150 nan 0.000 0.421 152 V N 1.101 120.874 119.914 -0.236 0.000 2.539 152 V HA 0.646 4.804 4.120 0.062 0.000 0.292 152 V C 0.018 176.071 176.094 -0.069 0.000 1.045 152 V CA -0.300 61.909 62.300 -0.152 0.000 0.945 152 V CB 1.070 32.846 31.823 -0.079 0.000 0.993 152 V HN 0.731 nan 8.190 nan 0.000 0.464 153 L N 2.592 123.795 121.223 -0.033 0.000 2.256 153 L HA 0.831 5.208 4.340 0.062 0.000 0.261 153 L C -0.968 175.957 176.870 0.093 0.000 1.022 153 L CA -0.689 54.169 54.840 0.030 0.000 0.828 153 L CB 2.188 44.256 42.059 0.015 0.000 1.374 153 L HN 0.625 nan 8.230 nan 0.000 0.436 154 D N -0.320 120.176 120.400 0.159 0.000 2.623 154 D HA 0.586 5.264 4.640 0.062 0.000 0.241 154 D C -1.831 174.636 176.300 0.278 0.000 1.241 154 D CA -0.378 53.769 54.000 0.245 0.000 0.788 154 D CB 2.111 43.115 40.800 0.340 0.000 1.413 154 D HN 0.227 nan 8.370 nan 0.000 0.429 155 L N 2.514 123.938 121.223 0.335 0.000 2.401 155 L HA 0.763 5.141 4.340 0.062 0.000 0.266 155 L C -1.288 175.892 176.870 0.516 0.000 0.991 155 L CA -0.557 54.464 54.840 0.301 0.000 0.818 155 L CB 1.645 43.855 42.059 0.251 0.000 1.321 155 L HN 0.836 nan 8.230 nan 0.000 0.413 156 W N 2.746 124.168 121.300 0.204 0.000 2.803 156 W HA 0.683 5.379 4.660 0.061 0.000 0.424 156 W C -2.180 174.396 176.519 0.095 0.000 1.092 156 W CA -0.739 56.692 57.345 0.144 0.000 1.184 156 W CB 0.359 29.870 29.460 0.085 0.000 1.470 156 W HN 0.111 nan 8.180 nan 0.000 0.598 157 V N 1.727 121.801 119.914 0.267 0.000 2.881 157 V HA 0.415 4.572 4.120 0.062 0.000 0.316 157 V C 0.873 177.041 176.094 0.124 0.000 1.070 157 V CA -0.054 62.262 62.300 0.027 0.000 0.976 157 V CB 1.303 33.112 31.823 -0.024 0.000 1.038 157 V HN 0.812 nan 8.190 nan 0.000 0.446 158 S N -0.345 115.360 115.700 0.010 0.000 2.503 158 S HA 0.040 4.548 4.470 0.062 0.000 0.217 158 S C 0.611 175.253 174.600 0.071 0.000 0.999 158 S CA 0.976 59.205 58.200 0.049 0.000 0.914 158 S CB -0.355 62.838 63.200 -0.012 0.000 0.782 158 S HN 0.951 nan 8.310 nan 0.000 0.520 159 D N 0.046 120.475 120.400 0.047 0.000 2.839 159 D HA -0.128 4.550 4.640 0.062 0.000 0.194 159 D C 0.746 177.057 176.300 0.017 0.000 0.988 159 D CA 1.134 55.157 54.000 0.037 0.000 1.009 159 D CB -1.698 39.132 40.800 0.051 0.000 1.067 159 D HN 0.640 nan 8.370 nan 0.000 0.444 160 S N -0.546 115.157 115.700 0.005 0.000 2.701 160 S HA 0.492 4.999 4.470 0.062 0.000 0.242 160 S C 1.195 175.780 174.600 -0.025 0.000 1.025 160 S CA 0.582 58.779 58.200 -0.005 0.000 1.016 160 S CB 1.071 64.271 63.200 -0.001 0.000 0.977 160 S HN 1.132 nan 8.310 nan 0.000 0.546 161 G N 0.735 109.509 108.800 -0.043 0.000 2.368 161 G HA2 0.245 4.242 3.960 0.062 0.000 0.290 161 G HA3 0.245 4.242 3.960 0.062 0.000 0.290 161 G C -0.067 174.757 174.900 -0.125 0.000 1.098 161 G CA -0.163 44.885 45.100 -0.087 0.000 1.073 161 G HN 1.554 nan 8.290 nan 0.000 0.511 162 A N 0.418 123.148 122.820 -0.150 0.000 2.459 162 A HA 0.788 5.145 4.320 0.062 0.000 0.296 162 A C -0.176 177.302 177.584 -0.177 0.000 1.039 162 A CA -0.827 51.132 52.037 -0.132 0.000 0.698 162 A CB 0.989 19.964 19.000 -0.042 0.000 1.261 162 A HN 0.882 nan 8.150 nan 0.000 0.405 163 F N 1.280 121.187 119.950 -0.072 0.000 2.602 163 F HA 0.331 4.895 4.527 0.062 0.000 0.367 163 F C 0.550 176.214 175.800 -0.227 0.000 1.126 163 F CA 0.971 58.900 58.000 -0.117 0.000 1.321 163 F CB 0.487 39.437 39.000 -0.083 0.000 1.094 163 F HN 0.380 nan 8.300 nan 0.000 0.594 164 L N 4.373 125.442 121.223 -0.257 0.000 2.333 164 L HA 0.567 4.945 4.340 0.062 0.000 0.269 164 L C -0.898 175.661 176.870 -0.518 0.000 1.010 164 L CA -0.882 53.618 54.840 -0.567 0.000 0.818 164 L CB 2.026 43.355 42.059 -1.218 0.000 1.306 164 L HN 0.458 nan 8.230 nan 0.000 0.430 165 L N 3.093 124.120 121.223 -0.326 0.000 2.504 165 L HA 0.420 4.797 4.340 0.062 0.000 0.265 165 L C -0.926 175.977 176.870 0.055 0.000 0.975 165 L CA -0.194 54.588 54.840 -0.096 0.000 0.864 165 L CB 1.809 43.867 42.059 -0.002 0.000 1.212 165 L HN 0.742 nan 8.230 nan 0.000 0.416 166 E N 3.745 124.015 120.200 0.117 0.000 2.229 166 E HA 0.480 4.868 4.350 0.062 0.000 0.283 166 E C -1.539 175.182 176.600 0.202 0.000 1.030 166 E CA -0.461 56.086 56.400 0.245 0.000 0.836 166 E CB 1.721 31.649 29.700 0.379 0.000 1.068 166 E HN 0.477 nan 8.360 nan 0.000 0.401 167 V N 4.362 124.417 119.914 0.234 0.000 2.588 167 V HA 0.324 4.481 4.120 0.062 0.000 0.304 167 V C -0.922 175.250 176.094 0.130 0.000 1.042 167 V CA -0.712 61.671 62.300 0.138 0.000 0.877 167 V CB 2.033 33.914 31.823 0.097 0.000 0.996 167 V HN 0.732 nan 8.190 nan 0.000 0.425 168 D N 4.938 125.364 120.400 0.042 0.000 2.763 168 D HA 0.457 5.134 4.640 0.062 0.000 0.235 168 D C -2.967 173.296 176.300 -0.060 0.000 1.334 168 D CA -1.378 52.641 54.000 0.032 0.000 0.950 168 D CB 3.065 43.895 40.800 0.051 0.000 1.433 168 D HN 0.215 nan 8.370 nan 0.000 0.580 169 P HA 0.288 nan 4.420 nan 0.000 0.260 169 P C -1.213 175.936 177.300 -0.251 0.000 1.185 169 P CA 0.059 63.039 63.100 -0.199 0.000 0.763 169 P CB 0.835 32.424 31.700 -0.185 0.000 0.776 170 A N 3.709 126.342 122.820 -0.311 0.000 2.387 170 A HA 0.778 5.135 4.320 0.062 0.000 0.303 170 A C -1.502 175.952 177.584 -0.218 0.000 1.145 170 A CA -0.430 51.475 52.037 -0.219 0.000 0.801 170 A CB 1.029 19.971 19.000 -0.097 0.000 1.342 170 A HN 0.359 nan 8.150 nan 0.000 0.440 171 Y N -0.461 119.940 120.300 0.168 0.000 2.485 171 Y HA 0.765 5.353 4.550 0.062 0.000 0.345 171 Y C 0.307 176.309 175.900 0.171 0.000 0.998 171 Y CA -0.645 57.569 58.100 0.190 0.000 1.059 171 Y CB 2.079 40.582 38.460 0.071 0.000 1.234 171 Y HN 0.799 nan 8.280 nan 0.000 0.461 172 R N 1.708 122.322 120.500 0.189 0.000 2.750 172 R HA 0.778 5.155 4.340 0.062 0.000 0.281 172 R C -2.024 174.295 176.300 0.032 0.000 0.972 172 R CA -0.620 55.396 56.100 -0.140 0.000 0.912 172 R CB 1.254 30.978 30.300 -0.959 0.000 1.187 172 R HN 0.689 nan 8.270 nan 0.000 0.464 173 I N 3.181 123.782 120.570 0.051 0.000 2.466 173 I HA 0.643 4.850 4.170 0.062 0.000 0.289 173 I C -0.743 175.446 176.117 0.120 0.000 1.026 173 I CA -0.698 60.651 61.300 0.082 0.000 1.078 173 I CB 1.878 39.906 38.000 0.046 0.000 1.249 173 I HN 0.451 nan 8.210 nan 0.000 0.429 174 L N 5.225 126.509 121.223 0.103 0.000 2.439 174 L HA 0.711 5.089 4.340 0.062 0.000 0.270 174 L C 0.125 176.982 176.870 -0.022 0.000 0.972 174 L CA -0.944 53.934 54.840 0.064 0.000 0.836 174 L CB 1.057 43.125 42.059 0.015 0.000 1.255 174 L HN 1.005 nan 8.230 nan 0.000 0.404 175 C N 0.699 119.992 119.300 -0.012 0.000 2.580 175 C HA 0.740 5.238 4.460 0.062 0.000 0.371 175 C C 1.224 176.183 174.990 -0.052 0.000 1.308 175 C CA 0.275 59.275 59.018 -0.029 0.000 2.428 175 C CB 0.668 28.398 27.740 -0.015 0.000 2.529 175 C HN 0.995 nan 8.230 nan 0.000 0.657 176 E N 0.310 120.479 120.200 -0.052 0.000 2.465 176 E HA 0.266 4.654 4.350 0.062 0.000 0.209 176 E C 0.161 176.736 176.600 -0.041 0.000 0.951 176 E CA 0.271 56.635 56.400 -0.059 0.000 0.997 176 E CB 0.186 29.847 29.700 -0.065 0.000 1.025 176 E HN 0.732 nan 8.360 nan 0.000 0.500 177 M N -0.378 119.203 119.600 -0.031 0.000 2.613 177 M HA 0.335 4.852 4.480 0.062 0.000 0.301 177 M C 0.443 176.732 176.300 -0.018 0.000 1.205 177 M CA -0.410 54.876 55.300 -0.023 0.000 0.950 177 M CB 1.782 34.369 32.600 -0.021 0.000 1.585 177 M HN -0.180 nan 8.290 nan 0.000 0.490 178 S N -0.161 115.530 115.700 -0.015 0.000 2.617 178 S HA 0.359 4.866 4.470 0.062 0.000 0.255 178 S C 0.980 175.573 174.600 -0.013 0.000 1.318 178 S CA 0.049 58.242 58.200 -0.012 0.000 0.978 178 S CB 0.492 63.688 63.200 -0.007 0.000 0.961 178 S HN 0.616 nan 8.310 nan 0.000 0.582 179 L N -0.199 121.016 121.223 -0.014 0.000 2.599 179 L HA 0.494 4.872 4.340 0.062 0.000 0.230 179 L C 1.850 178.714 176.870 -0.009 0.000 1.141 179 L CA 1.626 56.457 54.840 -0.015 0.000 0.877 179 L CB -2.335 39.710 42.059 -0.023 0.000 1.009 179 L HN 0.929 nan 8.230 nan 0.000 0.447 180 E N -1.384 118.812 120.200 -0.007 0.000 2.406 180 E HA 0.447 4.835 4.350 0.062 0.000 0.204 180 E C 2.185 178.782 176.600 -0.005 0.000 0.820 180 E CA 0.970 57.368 56.400 -0.004 0.000 1.136 180 E CB -0.407 29.293 29.700 -0.000 0.000 1.129 180 E HN 1.070 nan 8.360 nan 0.000 0.530 181 A N -1.229 121.587 122.820 -0.007 0.000 2.272 181 A HA 0.245 4.603 4.320 0.062 0.000 0.213 181 A C 2.148 179.726 177.584 -0.011 0.000 1.183 181 A CA 2.077 54.108 52.037 -0.009 0.000 0.719 181 A CB -1.285 17.709 19.000 -0.010 0.000 0.771 181 A HN 1.301 nan 8.150 nan 0.000 0.484 182 W N -2.582 118.711 121.300 -0.010 0.000 3.471 182 W HA 0.403 5.100 4.660 0.062 0.000 0.230 182 W C 2.255 178.768 176.519 -0.009 0.000 1.105 182 W CA 0.758 58.097 57.345 -0.011 0.000 1.631 182 W CB -0.161 29.291 29.460 -0.013 0.000 0.848 182 W HN 0.495 nan 8.180 nan 0.000 0.766 183 L N 1.161 122.379 121.223 -0.008 0.000 2.362 183 L HA 0.536 4.913 4.340 0.062 0.000 0.219 183 L C 1.880 178.747 176.870 -0.004 0.000 1.134 183 L CA 2.468 57.305 54.840 -0.006 0.000 0.807 183 L CB -1.704 40.352 42.059 -0.005 0.000 0.927 183 L HN 0.965 nan 8.230 nan 0.000 0.447 184 A N -1.769 121.048 122.820 -0.005 0.000 2.532 184 A HA 0.408 4.766 4.320 0.062 0.000 0.273 184 A C 1.471 179.052 177.584 -0.005 0.000 1.342 184 A CA 0.097 52.132 52.037 -0.004 0.000 0.929 184 A CB -0.088 18.910 19.000 -0.003 0.000 1.051 184 A HN 0.640 nan 8.150 nan 0.000 0.521 185 Q N -1.522 118.275 119.800 -0.006 0.000 2.164 185 Q HA 0.282 4.659 4.340 0.062 0.000 0.226 185 Q C 1.113 177.109 176.000 -0.007 0.000 0.813 185 Q CA 0.841 56.639 55.803 -0.007 0.000 0.978 185 Q CB 1.169 29.901 28.738 -0.010 0.000 1.149 185 Q HN 0.798 nan 8.270 nan 0.000 0.489 186 G N -0.503 108.293 108.800 -0.006 0.000 3.898 186 G HA2 -0.220 3.777 3.960 0.062 0.000 0.196 186 G HA3 -0.220 3.777 3.960 0.062 0.000 0.196 186 G C 0.332 175.230 174.900 -0.004 0.000 1.322 186 G CA -0.103 44.994 45.100 -0.005 0.000 0.942 186 G HN 0.613 nan 8.290 nan 0.000 0.400 187 H N 1.813 120.880 119.070 -0.005 0.000 3.140 187 H HA 0.614 5.208 4.556 0.062 0.000 0.316 187 H C -0.425 174.901 175.328 -0.002 0.000 0.986 187 H CA 1.124 57.170 56.048 -0.004 0.000 1.397 187 H CB -1.123 28.636 29.762 -0.005 0.000 1.377 187 H HN 0.918 nan 8.280 nan 0.000 0.585 188 P HA 0.717 nan 4.420 nan 0.000 0.312 188 P C 0.961 178.260 177.300 -0.000 0.000 1.307 188 P CA 1.235 64.336 63.100 0.001 0.000 0.738 188 P CB -0.127 31.575 31.700 0.002 0.000 1.422 189 L N -1.725 119.499 121.223 0.001 0.000 2.525 189 L HA 0.552 4.930 4.340 0.062 0.000 0.278 189 L C -0.173 176.696 176.870 -0.001 0.000 1.218 189 L CA -0.303 54.536 54.840 0.000 0.000 0.878 189 L CB -1.806 40.254 42.059 0.002 0.000 1.127 189 L HN 0.873 nan 8.230 nan 0.000 0.492 190 P HA 0.514 nan 4.420 nan 0.000 0.271 190 P C 0.907 178.203 177.300 -0.006 0.000 1.233 190 P CA 0.851 63.947 63.100 -0.007 0.000 0.789 190 P CB 0.353 32.045 31.700 -0.014 0.000 0.951 191 K N 0.027 120.424 120.400 -0.005 0.000 2.099 191 K HA 0.483 4.840 4.320 0.062 0.000 0.203 191 K C 1.320 177.915 176.600 -0.008 0.000 1.047 191 K CA 2.180 58.464 56.287 -0.004 0.000 0.963 191 K CB -0.293 32.207 32.500 -0.000 0.000 0.759 191 K HN 1.113 nan 8.250 nan 0.000 0.451 192 R N -0.796 119.697 120.500 -0.012 0.000 2.522 192 R HA 0.711 5.089 4.340 0.062 0.000 0.283 192 R C -0.501 175.783 176.300 -0.027 0.000 1.074 192 R CA -0.085 56.004 56.100 -0.018 0.000 0.925 192 R CB 0.047 30.339 30.300 -0.014 0.000 1.205 192 R HN 0.992 nan 8.270 nan 0.000 0.436 193 V N 1.588 121.478 119.914 -0.041 0.000 2.313 193 V HA 0.705 4.863 4.120 0.062 0.000 0.252 193 V C 0.875 176.925 176.094 -0.072 0.000 1.112 193 V CA 0.013 62.275 62.300 -0.064 0.000 0.984 193 V CB -0.097 31.670 31.823 -0.093 0.000 1.157 193 V HN 1.308 nan 8.190 nan 0.000 0.493 194 R N 2.900 123.371 120.500 -0.049 0.000 2.490 194 R HA 0.738 5.115 4.340 0.062 0.000 0.278 194 R C 0.127 176.398 176.300 -0.048 0.000 1.069 194 R CA 0.274 56.350 56.100 -0.039 0.000 1.080 194 R CB -0.242 30.049 30.300 -0.015 0.000 1.030 194 R HN 1.758 nan 8.270 nan 0.000 0.491 195 N N -0.586 118.090 118.700 -0.040 0.000 2.362 195 N HA 0.645 5.422 4.740 0.062 0.000 0.299 195 N C 0.715 176.224 175.510 -0.002 0.000 1.170 195 N CA -0.096 52.934 53.050 -0.033 0.000 0.825 195 N CB 2.198 40.659 38.487 -0.043 0.000 1.299 195 N HN 1.146 nan 8.380 nan 0.000 0.502 196 A N -0.798 122.027 122.820 0.008 0.000 2.197 196 A HA 0.391 4.748 4.320 0.062 0.000 0.210 196 A C 2.112 179.712 177.584 0.026 0.000 1.180 196 A CA 1.418 53.466 52.037 0.017 0.000 0.846 196 A CB -1.023 17.986 19.000 0.015 0.000 0.884 196 A HN 1.518 nan 8.150 nan 0.000 0.487 197 Y N -0.512 119.808 120.300 0.034 0.000 2.333 197 Y HA 0.211 4.799 4.550 0.062 0.000 0.290 197 Y C 1.296 177.221 175.900 0.041 0.000 1.144 197 Y CA 2.033 60.160 58.100 0.044 0.000 1.228 197 Y CB -1.174 37.328 38.460 0.070 0.000 0.985 197 Y HN 0.693 nan 8.280 nan 0.000 0.542 198 D N -1.957 118.467 120.400 0.039 0.000 2.989 198 D HA 0.641 5.318 4.640 0.062 0.000 0.284 198 D C 1.095 177.410 176.300 0.026 0.000 1.212 198 D CA 0.169 54.189 54.000 0.033 0.000 1.055 198 D CB -0.058 40.765 40.800 0.039 0.000 1.351 198 D HN 0.680 nan 8.370 nan 0.000 0.611 199 R N -1.585 118.928 120.500 0.023 0.000 2.432 199 R HA 0.656 5.034 4.340 0.062 0.000 0.260 199 R C 1.288 177.596 176.300 0.014 0.000 0.935 199 R CA 1.234 57.345 56.100 0.019 0.000 1.080 199 R CB -1.082 29.229 30.300 0.019 0.000 1.155 199 R HN 1.060 nan 8.270 nan 0.000 0.531 200 R N -0.326 120.184 120.500 0.015 0.000 2.500 200 R HA 0.793 5.171 4.340 0.062 0.000 0.275 200 R C 0.626 176.924 176.300 -0.003 0.000 1.051 200 R CA 0.542 56.650 56.100 0.012 0.000 1.088 200 R CB -0.041 30.274 30.300 0.026 0.000 1.063 200 R HN 0.937 nan 8.270 nan 0.000 0.511 201 T N -2.381 112.168 114.554 -0.009 0.000 2.716 201 T HA 0.782 5.170 4.350 0.062 0.000 0.286 201 T C -0.403 174.282 174.700 -0.024 0.000 1.052 201 T CA -0.131 61.952 62.100 -0.027 0.000 1.024 201 T CB 0.530 69.385 68.868 -0.022 0.000 1.349 201 T HN 2.145 nan 8.240 nan 0.000 0.525 202 W N -1.535 119.745 121.300 -0.033 0.000 2.959 202 W HA 0.830 5.528 4.660 0.062 0.000 0.358 202 W C 0.084 176.590 176.519 -0.023 0.000 1.228 202 W CA 0.136 57.467 57.345 -0.022 0.000 1.183 202 W CB -0.200 29.250 29.460 -0.018 0.000 1.467 202 W HN 1.453 nan 8.180 nan 0.000 0.578 203 E N -0.656 119.535 120.200 -0.015 0.000 3.638 203 E HA 0.914 5.301 4.350 0.062 0.000 0.289 203 E C 0.162 176.754 176.600 -0.014 0.000 1.464 203 E CA 0.258 56.650 56.400 -0.014 0.000 1.396 203 E CB 0.009 29.702 29.700 -0.012 0.000 1.303 203 E HN 2.570 nan 8.360 nan 0.000 0.785 204 L N -1.300 119.917 121.223 -0.009 0.000 2.620 204 L HA 0.746 5.124 4.340 0.062 0.000 0.261 204 L C 1.262 178.131 176.870 -0.001 0.000 0.978 204 L CA -0.030 54.806 54.840 -0.007 0.000 0.897 204 L CB -0.172 41.882 42.059 -0.009 0.000 1.207 204 L HN 1.445 nan 8.230 nan 0.000 0.425 205 L N 1.518 122.742 121.223 0.002 0.000 1.972 205 L HA 0.934 5.311 4.340 0.062 0.000 0.209 205 L C 1.341 178.215 176.870 0.006 0.000 1.125 205 L CA 1.826 56.668 54.840 0.004 0.000 0.784 205 L CB -0.934 41.129 42.059 0.007 0.000 0.902 205 L HN 2.150 nan 8.230 nan 0.000 0.444 206 R N -1.662 118.842 120.500 0.007 0.000 2.536 206 R HA 0.805 5.182 4.340 0.062 0.000 0.269 206 R C -0.620 175.685 176.300 0.009 0.000 1.113 206 R CA 0.111 56.215 56.100 0.008 0.000 0.948 206 R CB -0.374 29.931 30.300 0.008 0.000 1.237 206 R HN 2.195 nan 8.270 nan 0.000 0.441 207 L N 0.930 122.158 121.223 0.008 0.000 2.490 207 L HA 0.785 5.162 4.340 0.062 0.000 0.274 207 L C 1.160 178.037 176.870 0.011 0.000 1.201 207 L CA 0.086 54.932 54.840 0.010 0.000 0.869 207 L CB 0.345 42.410 42.059 0.009 0.000 1.123 207 L HN 1.512 nan 8.230 nan 0.000 0.484 208 G N 1.363 110.171 108.800 0.013 0.000 2.378 208 G HA2 0.488 4.485 3.960 0.062 0.000 0.255 208 G HA3 0.488 4.485 3.960 0.062 0.000 0.255 208 G C 0.785 175.691 174.900 0.010 0.000 1.270 208 G CA 0.713 45.820 45.100 0.012 0.000 0.876 208 G HN 1.499 nan 8.290 nan 0.000 0.521 209 E N 0.929 121.134 120.200 0.009 0.000 2.208 209 E HA 0.233 4.620 4.350 0.062 0.000 0.193 209 E C 1.327 177.931 176.600 0.007 0.000 0.988 209 E CA 1.514 57.919 56.400 0.007 0.000 0.828 209 E CB -0.667 29.037 29.700 0.007 0.000 0.763 209 E HN 1.005 nan 8.360 nan 0.000 0.478 210 E N -0.113 120.092 120.200 0.007 0.000 2.322 210 E HA 0.496 4.884 4.350 0.062 0.000 0.257 210 E C 0.099 176.703 176.600 0.007 0.000 1.155 210 E CA 0.014 56.418 56.400 0.006 0.000 0.936 210 E CB 0.006 29.709 29.700 0.006 0.000 1.130 210 E HN 0.736 nan 8.360 nan 0.000 0.465 211 D N -0.597 119.807 120.400 0.006 0.000 2.256 211 D HA 0.552 5.230 4.640 0.062 0.000 0.250 211 D C -0.528 175.775 176.300 0.005 0.000 1.093 211 D CA -0.563 53.440 54.000 0.006 0.000 0.882 211 D CB 0.757 41.560 40.800 0.004 0.000 1.185 211 D HN 0.616 nan 8.370 nan 0.000 0.437 212 P HA 0.164 nan 4.420 nan 0.000 0.242 212 P C 1.615 178.915 177.300 0.000 0.000 1.197 212 P CA 1.871 64.974 63.100 0.004 0.000 0.765 212 P CB -0.696 31.008 31.700 0.005 0.000 0.936 213 K N -1.054 119.346 120.400 0.001 0.000 2.360 213 K HA 0.264 4.622 4.320 0.062 0.000 0.201 213 K C 0.971 177.570 176.600 -0.001 0.000 1.046 213 K CA 2.053 58.339 56.287 -0.001 0.000 0.940 213 K CB -0.871 31.630 32.500 0.000 0.000 0.748 213 K HN 0.768 nan 8.250 nan 0.000 0.465 222 S N -0.235 115.456 115.700 -0.015 0.000 2.525 222 S HA 0.735 5.242 4.470 0.062 0.000 0.285 222 S C 1.363 175.950 174.600 -0.021 0.000 1.283 222 S CA 0.829 59.020 58.200 -0.015 0.000 1.072 222 S CB -0.008 63.183 63.200 -0.014 0.000 0.867 222 S HN 2.532 nan 8.310 nan 0.000 0.492 223 L N 2.223 123.435 121.223 -0.018 0.000 2.068 223 L HA 0.383 4.761 4.340 0.062 0.000 0.204 223 L C 2.782 179.637 176.870 -0.026 0.000 1.076 223 L CA 2.353 57.180 54.840 -0.022 0.000 0.753 223 L CB -1.851 40.201 42.059 -0.011 0.000 0.910 223 L HN 1.251 nan 8.230 nan 0.000 0.439 224 L N -1.195 120.018 121.223 -0.016 0.000 2.537 224 L HA 0.350 4.728 4.340 0.062 0.000 0.224 224 L C 2.275 179.137 176.870 -0.014 0.000 1.065 224 L CA 1.902 56.734 54.840 -0.014 0.000 0.860 224 L CB -1.692 40.364 42.059 -0.005 0.000 1.086 224 L HN 0.638 nan 8.230 nan 0.000 0.482 225 D N -1.827 118.565 120.400 -0.013 0.000 2.350 225 D HA 0.004 4.681 4.640 0.062 0.000 0.216 225 D C 1.798 178.089 176.300 -0.015 0.000 0.968 225 D CA 1.798 55.791 54.000 -0.012 0.000 0.894 225 D CB -0.722 40.073 40.800 -0.009 0.000 0.909 225 D HN 1.099 nan 8.370 nan 0.000 0.520 226 Y N -1.795 118.492 120.300 -0.021 0.000 2.476 226 Y HA 0.304 4.891 4.550 0.062 0.000 0.283 226 Y C 2.763 178.647 175.900 -0.026 0.000 1.109 226 Y CA 1.935 60.020 58.100 -0.025 0.000 1.246 226 Y CB -1.351 37.089 38.460 -0.033 0.000 1.068 226 Y HN 0.823 nan 8.280 nan 0.000 0.552 227 H N -0.638 118.415 119.070 -0.029 0.000 2.256 227 H HA 0.167 4.761 4.556 0.062 0.000 0.299 227 H C 2.604 177.924 175.328 -0.012 0.000 1.071 227 H CA 1.966 58.000 56.048 -0.024 0.000 1.280 227 H CB -1.127 28.622 29.762 -0.022 0.000 1.370 227 H HN 0.828 nan 8.280 nan 0.000 0.490 228 A N 0.017 122.832 122.820 -0.008 0.000 2.264 228 A HA 0.409 4.766 4.320 0.062 0.000 0.207 228 A C 2.267 179.848 177.584 -0.005 0.000 1.196 228 A CA 1.598 53.633 52.037 -0.004 0.000 0.778 228 A CB -1.009 17.990 19.000 -0.002 0.000 0.779 228 A HN 1.154 nan 8.150 nan 0.000 0.483 229 S N -1.365 114.331 115.700 -0.008 0.000 2.666 229 S HA 0.296 4.804 4.470 0.062 0.000 0.239 229 S C 1.468 176.063 174.600 -0.007 0.000 1.031 229 S CA -0.110 58.086 58.200 -0.007 0.000 1.015 229 S CB 0.218 63.413 63.200 -0.008 0.000 0.981 229 S HN 0.142 nan 8.310 nan 0.000 0.547 230 K N 0.833 121.228 120.400 -0.009 0.000 2.358 230 K HA 0.255 4.612 4.320 0.062 0.000 0.197 230 K C 1.061 177.659 176.600 -0.004 0.000 1.025 230 K CA 0.453 56.735 56.287 -0.008 0.000 1.104 230 K CB 0.173 32.665 32.500 -0.014 0.000 0.855 230 K HN 0.581 nan 8.250 nan 0.000 0.531 231 G N 0.950 109.749 108.800 -0.002 0.000 2.203 231 G HA2 -0.383 3.615 3.960 0.062 0.000 0.263 231 G HA3 -0.383 3.615 3.960 0.062 0.000 0.263 231 G C 0.966 175.868 174.900 0.004 0.000 1.012 231 G CA 1.104 46.205 45.100 0.001 0.000 0.749 231 G HN 0.508 nan 8.290 nan 0.000 0.512 232 R N -1.704 118.798 120.500 0.003 0.000 2.223 232 R HA 0.739 5.116 4.340 0.062 0.000 0.198 232 R C 2.336 178.644 176.300 0.012 0.000 0.984 232 R CA 1.672 57.777 56.100 0.008 0.000 1.018 232 R CB -0.505 29.797 30.300 0.004 0.000 0.945 232 R HN 1.805 nan 8.270 nan 0.000 0.479 233 L N 0.712 121.940 121.223 0.008 0.000 2.912 233 L HA 0.742 5.120 4.340 0.062 0.000 0.240 233 L C 0.922 177.797 176.870 0.008 0.000 1.262 233 L CA 0.491 55.336 54.840 0.010 0.000 1.058 233 L CB -0.970 41.093 42.059 0.007 0.000 1.383 233 L HN 0.754 nan 8.230 nan 0.000 0.512 234 Q N -0.691 119.114 119.800 0.008 0.000 2.341 234 Q HA 0.659 5.036 4.340 0.062 0.000 0.268 234 Q C 0.955 176.959 176.000 0.007 0.000 1.013 234 Q CA 0.189 55.995 55.803 0.006 0.000 0.798 234 Q CB 1.170 29.911 28.738 0.005 0.000 1.253 234 Q HN 2.033 nan 8.270 nan 0.000 0.457 235 G N -0.494 108.309 108.800 0.006 0.000 2.541 235 G HA2 0.404 4.402 3.960 0.062 0.000 0.201 235 G HA3 0.404 4.402 3.960 0.062 0.000 0.201 235 G C 0.467 175.370 174.900 0.005 0.000 1.026 235 G CA 0.628 45.731 45.100 0.005 0.000 0.687 235 G HN 1.917 nan 8.290 nan 0.000 0.492 236 R N -0.383 120.122 120.500 0.008 0.000 2.536 236 R HA 0.914 5.291 4.340 0.062 0.000 0.269 236 R C -0.543 175.764 176.300 0.012 0.000 1.113 236 R CA 1.399 57.504 56.100 0.008 0.000 0.948 236 R CB 0.015 30.320 30.300 0.008 0.000 1.237 236 R HN 1.851 nan 8.270 nan 0.000 0.441 237 E N 0.353 120.560 120.200 0.010 0.000 2.248 237 E HA 0.719 5.106 4.350 0.062 0.000 0.272 237 E C 0.808 177.418 176.600 0.016 0.000 1.008 237 E CA -0.540 55.867 56.400 0.012 0.000 0.856 237 E CB 1.516 31.221 29.700 0.008 0.000 1.120 237 E HN 1.784 nan 8.360 nan 0.000 0.397 238 G N -0.628 108.184 108.800 0.020 0.000 2.432 238 G HA2 0.405 4.402 3.960 0.062 0.000 0.239 238 G HA3 0.405 4.402 3.960 0.062 0.000 0.239 238 G C 0.969 175.880 174.900 0.019 0.000 1.291 238 G CA 0.494 45.609 45.100 0.026 0.000 0.863 238 G HN 0.903 nan 8.290 nan 0.000 0.560 239 G N 0.658 109.470 108.800 0.020 0.000 2.808 239 G HA2 0.528 4.525 3.960 0.062 0.000 0.210 239 G HA3 0.528 4.525 3.960 0.062 0.000 0.210 239 G C 0.721 175.629 174.900 0.014 0.000 1.177 239 G CA 1.122 46.230 45.100 0.014 0.000 0.853 239 G HN 1.030 nan 8.290 nan 0.000 0.625 240 R N -1.403 119.107 120.500 0.018 0.000 2.855 240 R HA 0.850 5.227 4.340 0.062 0.000 0.266 240 R C -0.158 176.157 176.300 0.026 0.000 1.034 240 R CA -0.171 55.940 56.100 0.018 0.000 0.944 240 R CB 0.156 30.464 30.300 0.013 0.000 1.219 240 R HN 1.115 nan 8.270 nan 0.000 0.474 241 V N -0.229 119.700 119.914 0.024 0.000 3.096 241 V HA 0.725 4.883 4.120 0.062 0.000 0.306 241 V C 0.771 176.886 176.094 0.035 0.000 1.088 241 V CA 0.025 62.344 62.300 0.031 0.000 1.129 241 V CB 0.877 32.715 31.823 0.023 0.000 1.014 241 V HN 1.773 nan 8.190 nan 0.000 0.486 242 A N 2.035 124.885 122.820 0.051 0.000 2.401 242 A HA 0.900 5.257 4.320 0.062 0.000 0.310 242 A C -0.652 176.958 177.584 0.044 0.000 1.075 242 A CA 0.111 52.176 52.037 0.046 0.000 0.746 242 A CB 1.141 20.177 19.000 0.060 0.000 1.277 242 A HN 2.590 nan 8.150 nan 0.000 0.425 243 W N 0.857 122.174 121.300 0.028 0.000 2.756 243 W HA 0.738 5.436 4.660 0.062 0.000 0.333 243 W C -0.756 175.774 176.519 0.017 0.000 1.025 243 W CA -0.299 57.061 57.345 0.025 0.000 1.246 243 W CB 0.198 29.669 29.460 0.019 0.000 1.358 243 W HN 1.981 nan 8.180 nan 0.000 0.444 244 V N 0.335 120.261 119.914 0.020 0.000 3.087 244 V HA 0.940 5.097 4.120 0.062 0.000 0.312 244 V C 0.235 176.338 176.094 0.015 0.000 1.482 244 V CA -0.413 61.894 62.300 0.013 0.000 1.015 244 V CB 0.878 32.705 31.823 0.006 0.000 1.055 244 V HN 2.074 nan 8.190 nan 0.000 0.478 245 A N -0.452 122.374 122.820 0.010 0.000 2.869 245 A HA 0.692 5.049 4.320 0.062 0.000 0.244 245 A C 0.257 177.850 177.584 0.014 0.000 1.374 245 A CA 0.462 52.505 52.037 0.010 0.000 0.913 245 A CB 0.322 19.323 19.000 0.002 0.000 1.589 245 A HN 1.392 nan 8.150 nan 0.000 0.485 254 I N -0.835 119.750 120.570 0.025 0.000 2.692 254 I HA 0.953 5.160 4.170 0.062 0.000 0.293 254 I C -2.710 173.433 176.117 0.044 0.000 1.200 254 I CA -1.555 59.763 61.300 0.030 0.000 1.036 254 I CB 1.416 39.438 38.000 0.037 0.000 1.258 254 I HN 0.513 nan 8.210 nan 0.000 0.421 255 P HA 0.806 nan 4.420 nan 0.000 0.292 255 P C -1.208 176.124 177.300 0.053 0.000 1.283 255 P CA -0.029 63.095 63.100 0.040 0.000 0.835 255 P CB 0.628 32.336 31.700 0.013 0.000 1.017 256 H N 0.059 119.130 119.070 0.002 0.000 2.856 256 H HA 0.583 5.177 4.556 0.062 0.000 0.355 256 H C 0.112 175.441 175.328 0.002 0.000 1.079 256 H CA -0.473 55.577 56.048 0.002 0.000 1.240 256 H CB 1.388 31.151 29.762 0.002 0.000 1.701 256 H HN 0.513 nan 8.280 nan 0.000 0.527 257 L N 2.848 124.157 121.223 0.143 0.000 2.369 257 L HA 0.264 4.642 4.340 0.062 0.000 0.279 257 L C 1.165 178.140 176.870 0.176 0.000 1.108 257 L CA 0.136 55.047 54.840 0.119 0.000 0.852 257 L CB -0.519 41.569 42.059 0.048 0.000 1.169 257 L HN 0.937 nan 8.230 nan 0.000 0.452 258 T N 0.208 114.822 114.554 0.100 0.000 3.535 258 T HA 0.309 4.697 4.350 0.062 0.000 0.238 258 T C 1.470 176.193 174.700 0.039 0.000 0.909 258 T CA 0.367 62.501 62.100 0.057 0.000 0.928 258 T CB -0.330 68.554 68.868 0.026 0.000 1.134 258 T HN 1.046 nan 8.240 nan 0.000 0.627 259 G N 1.304 110.136 108.800 0.053 0.000 2.439 259 G HA2 0.383 4.381 3.960 0.062 0.000 0.212 259 G HA3 0.383 4.381 3.960 0.062 0.000 0.212 259 G C 0.557 175.472 174.900 0.025 0.000 1.199 259 G CA 0.497 45.618 45.100 0.034 0.000 0.807 259 G HN 0.890 nan 8.290 nan 0.000 0.537 260 L N -0.241 121.003 121.223 0.034 0.000 2.319 260 L HA 0.911 5.288 4.340 0.062 0.000 0.281 260 L C -0.465 176.411 176.870 0.011 0.000 1.005 260 L CA -0.467 54.386 54.840 0.022 0.000 0.828 260 L CB 0.346 42.421 42.059 0.027 0.000 1.227 260 L HN 1.178 nan 8.230 nan 0.000 0.415 261 L N 3.234 124.453 121.223 -0.006 0.000 2.740 261 L HA 0.759 5.136 4.340 0.062 0.000 0.250 261 L C 0.136 176.994 176.870 -0.020 0.000 0.997 261 L CA -0.023 54.802 54.840 -0.025 0.000 0.968 261 L CB 0.245 42.268 42.059 -0.060 0.000 1.248 261 L HN 2.225 nan 8.230 nan 0.000 0.476 262 V N 2.273 122.180 119.914 -0.011 0.000 2.399 262 V HA 0.591 4.748 4.120 0.062 0.000 0.245 262 V C -0.449 175.640 176.094 -0.008 0.000 1.089 262 V CA -0.141 62.154 62.300 -0.009 0.000 1.196 262 V CB -0.425 31.397 31.823 -0.002 0.000 1.221 262 V HN 1.150 nan 8.190 nan 0.000 0.482 263 P HA 0.610 nan 4.420 nan 0.000 0.268 263 P C -0.283 177.015 177.300 -0.003 0.000 1.208 263 P CA 1.058 64.150 63.100 -0.014 0.000 0.777 263 P CB 0.916 32.607 31.700 -0.016 0.000 0.875 264 V N 0.891 120.803 119.914 -0.003 0.000 2.350 264 V HA 0.708 4.865 4.120 0.062 0.000 0.276 264 V C 0.327 176.424 176.094 0.005 0.000 1.028 264 V CA -0.512 61.792 62.300 0.007 0.000 0.860 264 V CB 0.703 32.530 31.823 0.007 0.000 0.990 264 V HN 0.885 nan 8.190 nan 0.000 0.453 265 L N 3.434 124.663 121.223 0.010 0.000 2.334 265 L HA 1.133 5.511 4.340 0.062 0.000 0.276 265 L C 0.373 177.251 176.870 0.012 0.000 1.014 265 L CA -0.099 54.745 54.840 0.007 0.000 0.815 265 L CB 0.804 42.865 42.059 0.004 0.000 1.268 265 L HN 1.456 nan 8.230 nan 0.000 0.428 266 T N 0.183 114.744 114.554 0.010 0.000 2.940 266 T HA 1.012 5.400 4.350 0.062 0.000 0.288 266 T C 0.496 175.202 174.700 0.011 0.000 1.045 266 T CA -0.010 62.098 62.100 0.014 0.000 1.018 266 T CB 0.559 69.435 68.868 0.015 0.000 1.151 266 T HN 2.376 nan 8.240 nan 0.000 0.529 280 S N 0.644 116.431 115.700 0.145 0.000 2.544 280 S HA 0.824 5.331 4.470 0.062 0.000 0.290 280 S C 0.451 175.145 174.600 0.157 0.000 1.276 280 S CA 0.604 58.905 58.200 0.168 0.000 1.075 280 S CB -0.236 63.038 63.200 0.124 0.000 0.849 280 S HN 2.566 nan 8.310 nan 0.000 0.494 281 L N 2.954 124.272 121.223 0.157 0.000 2.349 281 L HA 0.871 5.248 4.340 0.062 0.000 0.275 281 L C -0.651 176.288 176.870 0.116 0.000 1.115 281 L CA -1.087 53.825 54.840 0.119 0.000 0.820 281 L CB -0.645 41.455 42.059 0.068 0.000 1.135 281 L HN 0.914 nan 8.230 nan 0.000 0.445 282 P HA 0.147 nan 4.420 nan 0.000 0.266 282 P C 0.734 178.107 177.300 0.121 0.000 1.195 282 P CA 0.767 63.930 63.100 0.105 0.000 0.768 282 P CB 0.031 31.753 31.700 0.037 0.000 0.838 283 W N 3.204 124.549 121.300 0.075 0.000 2.304 283 W HA -0.201 4.500 4.660 0.067 0.000 0.315 283 W C 1.948 178.522 176.519 0.091 0.000 1.233 283 W CA 3.451 60.861 57.345 0.110 0.000 1.261 283 W CB -1.046 28.489 29.460 0.126 0.000 1.150 283 W HN 0.560 nan 8.180 nan 0.000 0.494 284 E N 1.093 120.851 120.200 -0.737 0.000 2.049 284 E HA -0.328 4.060 4.350 0.062 0.000 0.198 284 E C 1.977 178.402 176.600 -0.292 0.000 1.007 284 E CA 2.064 58.032 56.400 -0.720 0.000 0.809 284 E CB -1.385 27.895 29.700 -0.700 0.000 0.749 284 E HN 0.728 nan 8.360 nan 0.000 0.450 285 E N -0.474 119.619 120.200 -0.177 0.000 2.204 285 E HA -0.223 4.165 4.350 0.062 0.000 0.195 285 E C 2.394 178.947 176.600 -0.079 0.000 0.990 285 E CA 1.037 57.376 56.400 -0.102 0.000 0.821 285 E CB -0.077 29.592 29.700 -0.051 0.000 0.750 285 E HN 0.475 nan 8.360 nan 0.000 0.477 286 R N 0.697 121.181 120.500 -0.026 0.000 2.073 286 R HA -0.179 4.198 4.340 0.062 0.000 0.234 286 R C 2.573 178.821 176.300 -0.087 0.000 1.134 286 R CA 2.052 58.166 56.100 0.022 0.000 0.952 286 R CB -0.150 30.266 30.300 0.194 0.000 0.850 286 R HN 0.133 nan 8.270 nan 0.000 0.433 287 R N -0.261 120.078 120.500 -0.269 0.000 2.092 287 R HA -0.094 4.284 4.340 0.062 0.000 0.231 287 R C 2.383 178.512 176.300 -0.286 0.000 1.119 287 R CA 1.296 57.036 56.100 -0.601 0.000 0.970 287 R CB -0.668 29.082 30.300 -0.917 0.000 0.864 287 R HN 0.147 nan 8.270 nan 0.000 0.440 288 R N 0.640 121.023 120.500 -0.195 0.000 2.096 288 R HA -0.074 4.303 4.340 0.062 0.000 0.240 288 R C 2.175 178.407 176.300 -0.113 0.000 1.139 288 R CA 1.646 57.667 56.100 -0.132 0.000 0.952 288 R CB -0.016 30.218 30.300 -0.111 0.000 0.854 288 R HN 0.176 nan 8.270 nan 0.000 0.436 289 R N -0.464 119.970 120.500 -0.111 0.000 2.115 289 R HA -0.023 4.354 4.340 0.062 0.000 0.226 289 R C 2.170 178.400 176.300 -0.115 0.000 1.100 289 R CA 1.463 57.496 56.100 -0.112 0.000 0.980 289 R CB -0.822 29.409 30.300 -0.116 0.000 0.875 289 R HN 0.317 nan 8.270 nan 0.000 0.445 290 T N 1.405 115.908 114.554 -0.086 0.000 2.652 290 T HA -0.126 4.261 4.350 0.062 0.000 0.267 290 T C 1.920 176.572 174.700 -0.081 0.000 1.039 290 T CA 1.452 63.543 62.100 -0.016 0.000 1.153 290 T CB -0.101 68.826 68.868 0.099 0.000 0.863 290 T HN 0.334 nan 8.240 nan 0.000 0.428 291 R N 1.030 121.497 120.500 -0.055 0.000 2.073 291 R HA -0.035 4.342 4.340 0.062 0.000 0.234 291 R C 2.593 178.759 176.300 -0.224 0.000 1.134 291 R CA 1.299 57.319 56.100 -0.132 0.000 0.952 291 R CB -0.271 30.009 30.300 -0.033 0.000 0.850 291 R HN 0.513 nan 8.270 nan 0.000 0.433 292 E N 0.639 120.753 120.200 -0.144 0.000 2.031 292 E HA -0.178 4.209 4.350 0.062 0.000 0.193 292 E C 2.066 178.601 176.600 -0.108 0.000 0.994 292 E CA 1.098 57.434 56.400 -0.107 0.000 0.800 292 E CB -0.036 29.615 29.700 -0.083 0.000 0.752 292 E HN 0.192 nan 8.360 nan 0.000 0.447 293 I N 1.206 121.683 120.570 -0.156 0.000 2.264 293 I HA -0.251 3.957 4.170 0.062 0.000 0.248 293 I C 2.500 178.542 176.117 -0.125 0.000 1.111 293 I CA 1.079 62.281 61.300 -0.163 0.000 1.382 293 I CB -1.682 36.186 38.000 -0.219 0.000 1.060 293 I HN 0.019 nan 8.210 nan 0.000 0.418 294 A N 0.830 123.459 122.820 -0.319 0.000 1.851 294 A HA -0.221 4.136 4.320 0.062 0.000 0.216 294 A C 2.616 180.025 177.584 -0.291 0.000 1.195 294 A CA 2.449 54.175 52.037 -0.518 0.000 0.622 294 A CB -1.016 17.138 19.000 -1.411 0.000 0.831 294 A HN 0.431 nan 8.150 nan 0.000 0.444 295 S N -1.509 114.048 115.700 -0.237 0.000 2.392 295 S HA -0.301 4.207 4.470 0.062 0.000 0.225 295 S C 1.448 176.036 174.600 -0.020 0.000 1.041 295 S CA 1.728 59.861 58.200 -0.113 0.000 1.100 295 S CB -0.896 62.263 63.200 -0.069 0.000 1.029 295 S HN 0.753 nan 8.310 nan 0.000 0.424 296 W N 2.167 123.376 121.300 -0.151 0.000 2.269 296 W HA -0.384 4.314 4.660 0.062 0.000 0.336 296 W C 2.638 179.086 176.519 -0.118 0.000 1.333 296 W CA 3.108 60.383 57.345 -0.116 0.000 1.299 296 W CB -0.978 28.418 29.460 -0.107 0.000 1.126 296 W HN 0.276 nan 8.180 nan 0.000 0.474 297 I N 0.455 121.203 120.570 0.297 0.000 2.493 297 I HA 0.087 4.294 4.170 0.062 0.000 0.254 297 I C 2.153 178.215 176.117 -0.092 0.000 1.160 297 I CA 2.408 63.793 61.300 0.143 0.000 1.445 297 I CB -1.939 36.182 38.000 0.202 0.000 1.086 297 I HN 0.308 nan 8.210 nan 0.000 0.433 298 G N -0.415 108.319 108.800 -0.110 0.000 2.396 298 G HA2 -0.135 3.863 3.960 0.062 0.000 0.214 298 G HA3 -0.135 3.863 3.960 0.062 0.000 0.214 298 G C 1.928 176.730 174.900 -0.164 0.000 1.166 298 G CA 0.763 45.781 45.100 -0.137 0.000 0.793 298 G HN 0.578 nan 8.290 nan 0.000 0.533 299 R N 0.633 121.022 120.500 -0.185 0.000 2.075 299 R HA 0.136 4.513 4.340 0.062 0.000 0.226 299 R C 2.408 178.546 176.300 -0.270 0.000 1.114 299 R CA 0.482 56.462 56.100 -0.200 0.000 0.972 299 R CB -0.465 29.727 30.300 -0.179 0.000 0.869 299 R HN 0.194 nan 8.270 nan 0.000 0.437 300 R N 0.146 120.394 120.500 -0.419 0.000 2.115 300 R HA -0.035 4.342 4.340 0.062 0.000 0.230 300 R C 1.492 177.590 176.300 -0.336 0.000 1.111 300 R CA 0.684 56.487 56.100 -0.495 0.000 0.976 300 R CB -0.040 29.692 30.300 -0.948 0.000 0.870 300 R HN 0.130 nan 8.270 nan 0.000 0.445 301 L N 0.047 121.101 121.223 -0.281 0.000 2.628 301 L HA 0.243 4.620 4.340 0.062 0.000 0.229 301 L C 0.328 177.084 176.870 -0.190 0.000 1.137 301 L CA 0.381 55.097 54.840 -0.207 0.000 0.909 301 L CB -0.107 41.844 42.059 -0.180 0.000 1.137 301 L HN 0.299 nan 8.230 nan 0.000 0.470 302 G N 0.595 109.286 108.800 -0.182 0.000 2.352 302 G HA2 -0.276 3.721 3.960 0.062 0.000 0.283 302 G HA3 -0.276 3.721 3.960 0.062 0.000 0.283 302 G C 0.620 175.421 174.900 -0.166 0.000 0.946 302 G CA 0.735 45.744 45.100 -0.153 0.000 1.317 302 G HN 0.419 nan 8.290 nan 0.000 0.478 303 L N -0.286 120.837 121.223 -0.167 0.000 3.086 303 L HA 0.512 4.889 4.340 0.062 0.000 0.274 303 L C 1.542 178.353 176.870 -0.099 0.000 1.184 303 L CA 0.406 55.142 54.840 -0.173 0.000 1.002 303 L CB 0.262 42.174 42.059 -0.244 0.000 1.383 303 L HN 1.312 nan 8.230 nan 0.000 0.582 304 G N 0.139 108.884 108.800 -0.091 0.000 2.428 304 G HA2 -0.191 3.806 3.960 0.062 0.000 0.202 304 G HA3 -0.191 3.806 3.960 0.062 0.000 0.202 304 G C -0.447 174.418 174.900 -0.058 0.000 1.247 304 G CA -0.532 44.532 45.100 -0.060 0.000 1.020 304 G HN -0.141 nan 8.290 nan 0.000 0.529 305 T N 3.415 117.948 114.554 -0.035 0.000 2.771 305 T HA 0.589 4.977 4.350 0.062 0.000 0.291 305 T C -2.280 172.416 174.700 -0.007 0.000 0.954 305 T CA -0.368 61.716 62.100 -0.027 0.000 1.045 305 T CB 1.409 70.269 68.868 -0.013 0.000 0.917 305 T HN 0.444 nan 8.240 nan 0.000 0.484 306 P HA 0.341 nan 4.420 nan 0.000 0.270 306 P C -0.380 176.997 177.300 0.128 0.000 1.242 306 P CA 0.067 63.197 63.100 0.049 0.000 0.768 306 P CB 0.206 31.845 31.700 -0.102 0.000 0.820 307 E N 2.845 123.129 120.200 0.140 0.000 2.261 307 E HA 0.519 4.906 4.350 0.062 0.000 0.239 307 E C 0.418 177.071 176.600 0.088 0.000 0.991 307 E CA -0.830 55.634 56.400 0.107 0.000 0.847 307 E CB 0.137 29.877 29.700 0.067 0.000 1.223 307 E HN 0.628 nan 8.360 nan 0.000 0.446 308 A N 1.261 124.120 122.820 0.065 0.000 2.600 308 A HA 0.263 4.620 4.320 0.062 0.000 0.244 308 A C 0.959 178.458 177.584 -0.142 0.000 1.016 308 A CA 0.699 52.566 52.037 -0.284 0.000 0.778 308 A CB -0.157 18.490 19.000 -0.590 0.000 0.920 308 A HN 1.695 nan 8.150 nan 0.000 0.513 309 V N 3.390 123.197 119.914 -0.179 0.000 2.446 309 V HA 0.542 4.699 4.120 0.062 0.000 0.276 309 V C 0.741 176.889 176.094 0.089 0.000 1.030 309 V CA 0.522 62.809 62.300 -0.021 0.000 1.033 309 V CB 0.057 31.865 31.823 -0.025 0.000 0.993 309 V HN 1.354 nan 8.190 nan 0.000 0.477 310 R N 5.094 125.685 120.500 0.152 0.000 2.229 310 R HA 0.846 5.224 4.340 0.062 0.000 0.328 310 R C 0.062 176.409 176.300 0.078 0.000 1.009 310 R CA -0.030 56.172 56.100 0.171 0.000 0.864 310 R CB 1.019 31.399 30.300 0.134 0.000 1.085 310 R HN 1.871 nan 8.270 nan 0.000 0.453 311 A N 2.643 125.501 122.820 0.063 0.000 2.320 311 A HA 0.649 5.006 4.320 0.062 0.000 0.334 311 A C -0.135 177.458 177.584 0.014 0.000 1.147 311 A CA -0.720 51.336 52.037 0.033 0.000 0.820 311 A CB 1.075 20.090 19.000 0.024 0.000 1.218 311 A HN 0.897 nan 8.150 nan 0.000 0.482 312 Q N 0.760 120.577 119.800 0.029 0.000 2.227 312 Q HA 0.700 5.077 4.340 0.062 0.000 0.245 312 Q C -0.717 175.339 176.000 0.093 0.000 0.926 312 Q CA -0.314 55.515 55.803 0.043 0.000 0.895 312 Q CB 1.391 30.162 28.738 0.056 0.000 1.230 312 Q HN 1.131 nan 8.270 nan 0.000 0.450 313 A N 2.872 125.749 122.820 0.095 0.000 2.375 313 A HA 0.569 4.927 4.320 0.062 0.000 0.295 313 A C -1.590 176.115 177.584 0.202 0.000 1.066 313 A CA -0.750 51.353 52.037 0.111 0.000 0.722 313 A CB 0.812 19.816 19.000 0.008 0.000 1.206 313 A HN 0.682 nan 8.150 nan 0.000 0.435 314 Y N 1.396 121.658 120.300 -0.063 0.000 2.327 314 Y HA 0.445 5.029 4.550 0.056 0.000 0.336 314 Y C 0.952 176.907 175.900 0.093 0.000 1.035 314 Y CA -0.737 57.398 58.100 0.058 0.000 1.165 314 Y CB 1.105 39.678 38.460 0.189 0.000 1.181 314 Y HN 0.806 nan 8.280 nan 0.000 0.494 315 R N 3.653 124.246 120.500 0.155 0.000 2.401 315 R HA 0.255 4.632 4.340 0.062 0.000 0.299 315 R C -1.264 175.113 176.300 0.128 0.000 1.064 315 R CA 0.082 56.236 56.100 0.091 0.000 1.000 315 R CB 0.019 30.340 30.300 0.035 0.000 0.973 315 R HN 0.714 nan 8.270 nan 0.000 0.438 316 L N 3.177 124.452 121.223 0.087 0.000 2.399 316 L HA 0.337 4.715 4.340 0.062 0.000 0.266 316 L C 0.039 177.049 176.870 0.235 0.000 1.114 316 L CA -0.740 54.196 54.840 0.160 0.000 0.804 316 L CB 1.730 43.845 42.059 0.093 0.000 1.146 316 L HN 0.792 nan 8.230 nan 0.000 0.451 317 S N 2.371 118.299 115.700 0.380 0.000 2.528 317 S HA 0.375 4.882 4.470 0.062 0.000 0.277 317 S C -0.042 174.794 174.600 0.393 0.000 1.297 317 S CA -0.689 57.730 58.200 0.366 0.000 1.052 317 S CB 0.344 63.789 63.200 0.408 0.000 0.917 317 S HN 0.318 nan 8.310 nan 0.000 0.492 318 I N 3.288 123.980 120.570 0.203 0.000 2.752 318 I HA 0.116 4.324 4.170 0.062 0.000 0.289 318 I C -2.165 173.872 176.117 -0.133 0.000 1.197 318 I CA -1.388 59.939 61.300 0.046 0.000 1.432 318 I CB -0.626 37.386 38.000 0.020 0.000 1.359 318 I HN 0.340 nan 8.210 nan 0.000 0.571 319 P HA 0.302 nan 4.420 nan 0.000 0.277 319 P C -0.589 176.558 177.300 -0.255 0.000 1.240 319 P CA -0.543 62.179 63.100 -0.631 0.000 0.798 319 P CB 0.631 31.720 31.700 -1.018 0.000 0.979 320 K N 0.883 121.214 120.400 -0.114 0.000 2.356 320 K HA 0.599 4.957 4.320 0.062 0.000 0.243 320 K C 0.023 176.593 176.600 -0.051 0.000 1.072 320 K CA -0.481 55.770 56.287 -0.059 0.000 1.014 320 K CB -0.633 31.860 32.500 -0.012 0.000 1.523 320 K HN 0.632 nan 8.250 nan 0.000 0.455 321 L N 1.543 122.722 121.223 -0.073 0.000 2.380 321 L HA 0.887 5.265 4.340 0.062 0.000 0.273 321 L C 0.391 177.245 176.870 -0.025 0.000 1.138 321 L CA -0.579 54.226 54.840 -0.058 0.000 0.832 321 L CB 0.416 42.450 42.059 -0.041 0.000 1.124 321 L HN 0.859 nan 8.230 nan 0.000 0.454 322 M N 3.133 122.712 119.600 -0.035 0.000 2.190 322 M HA 0.701 5.219 4.480 0.062 0.000 0.312 322 M C 0.680 177.034 176.300 0.091 0.000 0.990 322 M CA 0.086 55.409 55.300 0.040 0.000 0.927 322 M CB 1.568 34.231 32.600 0.105 0.000 1.571 322 M HN 0.911 nan 8.290 nan 0.000 0.427 323 G N 2.184 111.037 108.800 0.088 0.000 2.928 323 G HA2 0.203 4.201 3.960 0.062 0.000 0.163 323 G HA3 0.203 4.201 3.960 0.062 0.000 0.163 323 G C 0.698 175.681 174.900 0.137 0.000 1.573 323 G CA -0.210 44.955 45.100 0.108 0.000 1.084 323 G HN 0.773 nan 8.290 nan 0.000 0.569 324 R N -0.703 119.812 120.500 0.025 0.000 2.139 324 R HA 0.007 4.385 4.340 0.062 0.000 0.243 324 R C 0.561 176.864 176.300 0.005 0.000 1.145 324 R CA 1.170 57.264 56.100 -0.010 0.000 0.976 324 R CB 0.007 30.272 30.300 -0.059 0.000 0.866 324 R HN 0.351 nan 8.270 nan 0.000 0.449 325 R N -2.406 118.100 120.500 0.010 0.000 2.734 325 R HA 0.388 4.765 4.340 0.062 0.000 0.271 325 R C -1.454 174.855 176.300 0.015 0.000 1.021 325 R CA -0.387 55.721 56.100 0.013 0.000 0.893 325 R CB 1.463 31.758 30.300 -0.008 0.000 1.244 325 R HN 0.151 nan 8.270 nan 0.000 0.464 326 A N 0.991 123.821 122.820 0.017 0.000 2.587 326 A HA 0.347 4.705 4.320 0.062 0.000 0.235 326 A C -0.226 177.360 177.584 0.003 0.000 1.044 326 A CA 0.336 52.380 52.037 0.012 0.000 0.754 326 A CB 0.188 19.194 19.000 0.010 0.000 0.968 326 A HN 0.462 nan 8.150 nan 0.000 0.509 327 V N 1.975 121.891 119.914 0.004 0.000 3.120 327 V HA 0.579 4.736 4.120 0.062 0.000 0.303 327 V C 0.730 176.837 176.094 0.022 0.000 1.238 327 V CA 0.291 62.593 62.300 0.004 0.000 1.008 327 V CB 2.100 33.915 31.823 -0.013 0.000 1.064 327 V HN 1.616 nan 8.190 nan 0.000 0.434 328 S N 3.391 119.116 115.700 0.042 0.000 2.468 328 S HA 0.267 4.774 4.470 0.062 0.000 0.226 328 S C 0.490 175.204 174.600 0.190 0.000 1.051 328 S CA 0.605 58.856 58.200 0.084 0.000 0.943 328 S CB -0.057 63.191 63.200 0.080 0.000 0.810 328 S HN 1.034 nan 8.310 nan 0.000 0.509 329 K N 0.673 121.141 120.400 0.113 0.000 2.378 329 K HA 0.500 4.857 4.320 0.062 0.000 0.252 329 K C -2.981 173.556 176.600 -0.104 0.000 0.931 329 K CA -2.025 54.282 56.287 0.034 0.000 0.794 329 K CB 1.967 34.436 32.500 -0.053 0.000 1.181 329 K HN -0.219 nan 8.250 nan 0.000 0.425 330 P HA -0.258 nan 4.420 nan 0.000 0.216 330 P C 1.188 178.370 177.300 -0.196 0.000 1.154 330 P CA 2.276 65.288 63.100 -0.147 0.000 0.865 330 P CB 0.037 31.633 31.700 -0.174 0.000 0.789 331 A N -0.440 122.160 122.820 -0.367 0.000 2.186 331 A HA -0.211 4.146 4.320 0.062 0.000 0.219 331 A C 1.682 179.128 177.584 -0.230 0.000 1.159 331 A CA 1.757 53.547 52.037 -0.411 0.000 0.680 331 A CB -1.224 17.190 19.000 -0.976 0.000 0.787 331 A HN 0.141 nan 8.150 nan 0.000 0.467 332 D N -0.148 120.152 120.400 -0.167 0.000 2.363 332 D HA 0.107 4.785 4.640 0.062 0.000 0.220 332 D C 1.879 178.097 176.300 -0.138 0.000 0.994 332 D CA 0.951 54.889 54.000 -0.103 0.000 0.890 332 D CB -0.131 40.636 40.800 -0.054 0.000 0.906 332 D HN 0.481 nan 8.370 nan 0.000 0.530 333 A N 0.270 122.987 122.820 -0.172 0.000 2.119 333 A HA -0.032 4.326 4.320 0.062 0.000 0.217 333 A C 2.098 179.370 177.584 -0.521 0.000 1.153 333 A CA 0.427 52.288 52.037 -0.294 0.000 0.692 333 A CB -0.437 18.448 19.000 -0.193 0.000 0.799 333 A HN 0.209 nan 8.150 nan 0.000 0.458 334 L N -1.359 119.675 121.223 -0.314 0.000 2.478 334 L HA 0.006 4.383 4.340 0.062 0.000 0.223 334 L C 2.337 179.088 176.870 -0.197 0.000 1.140 334 L CA 0.619 55.305 54.840 -0.257 0.000 0.842 334 L CB -0.070 41.958 42.059 -0.053 0.000 0.953 334 L HN 0.352 nan 8.230 nan 0.000 0.452 335 R N -2.289 118.104 120.500 -0.178 0.000 2.453 335 R HA 0.175 4.552 4.340 0.062 0.000 0.233 335 R C 1.472 177.696 176.300 -0.126 0.000 0.895 335 R CA 0.165 56.202 56.100 -0.106 0.000 1.028 335 R CB 0.602 30.869 30.300 -0.054 0.000 1.255 335 R HN 0.082 nan 8.270 nan 0.000 0.571 336 V N -0.015 119.791 119.914 -0.180 0.000 3.307 336 V HA 0.329 4.486 4.120 0.062 0.000 0.244 336 V C 0.654 176.626 176.094 -0.203 0.000 1.196 336 V CA 0.868 63.077 62.300 -0.152 0.000 1.132 336 V CB 1.030 32.783 31.823 -0.116 0.000 0.875 336 V HN 0.545 nan 8.190 nan 0.000 0.468 337 G N 0.008 108.591 108.800 -0.363 0.000 2.525 337 G HA2 0.013 4.010 3.960 0.062 0.000 0.685 337 G HA3 0.013 4.010 3.960 0.062 0.000 0.685 337 G C -0.861 173.775 174.900 -0.439 0.000 1.285 337 G CA -0.971 43.864 45.100 -0.441 0.000 0.849 337 G HN 0.021 nan 8.290 nan 0.000 0.653 338 F N 0.123 120.006 119.950 -0.111 0.000 2.403 338 F HA 0.490 5.054 4.527 0.062 0.000 0.320 338 F C 1.612 177.410 175.800 -0.004 0.000 1.176 338 F CA 0.036 57.995 58.000 -0.070 0.000 1.206 338 F CB 0.549 39.476 39.000 -0.122 0.000 1.235 338 F HN 0.610 nan 8.300 nan 0.000 0.565 339 Y N 1.092 121.469 120.300 0.128 0.000 2.337 339 Y HA 0.206 4.794 4.550 0.063 0.000 0.293 339 Y C 1.127 177.040 175.900 0.021 0.000 1.123 339 Y CA 1.300 59.422 58.100 0.037 0.000 1.201 339 Y CB 0.095 38.560 38.460 0.009 0.000 1.011 339 Y HN 0.416 nan 8.280 nan 0.000 0.545 340 R N 0.077 120.616 120.500 0.065 0.000 2.912 340 R HA 0.756 5.133 4.340 0.062 0.000 0.278 340 R C -0.891 175.428 176.300 0.032 0.000 1.533 340 R CA -0.129 55.950 56.100 -0.036 0.000 1.061 340 R CB -0.461 29.799 30.300 -0.066 0.000 1.313 340 R HN 0.469 nan 8.270 nan 0.000 0.443 341 A N 0.228 123.080 122.820 0.054 0.000 2.239 341 A HA 1.014 5.371 4.320 0.062 0.000 0.303 341 A C 0.453 178.079 177.584 0.070 0.000 1.114 341 A CA 0.323 52.403 52.037 0.070 0.000 0.871 341 A CB 0.889 19.987 19.000 0.164 0.000 1.201 341 A HN 2.168 nan 8.150 nan 0.000 0.506 342 Q N -0.505 119.358 119.800 0.104 0.000 2.527 342 Q HA 0.528 4.905 4.340 0.062 0.000 0.280 342 Q C -0.566 175.480 176.000 0.077 0.000 0.977 342 Q CA -0.485 55.361 55.803 0.071 0.000 0.837 342 Q CB 0.428 29.189 28.738 0.039 0.000 1.454 342 Q HN 0.894 nan 8.270 nan 0.000 0.387 343 E N 1.180 121.402 120.200 0.037 0.000 3.072 343 E HA 0.099 4.486 4.350 0.062 0.000 0.241 343 E C -0.452 176.136 176.600 -0.020 0.000 0.962 343 E CA 1.364 57.765 56.400 0.001 0.000 0.955 343 E CB 0.139 29.835 29.700 -0.006 0.000 0.899 343 E HN 0.709 nan 8.360 nan 0.000 0.547 344 T N 1.699 116.207 114.554 -0.077 0.000 2.896 344 T HA 0.721 5.108 4.350 0.062 0.000 0.297 344 T C -1.684 172.922 174.700 -0.156 0.000 1.108 344 T CA -0.112 61.928 62.100 -0.100 0.000 1.004 344 T CB 1.402 70.233 68.868 -0.063 0.000 1.159 344 T HN 0.433 nan 8.240 nan 0.000 0.499 345 A N 2.808 125.569 122.820 -0.098 0.000 2.449 345 A HA 0.838 5.195 4.320 0.062 0.000 0.302 345 A C -1.969 175.596 177.584 -0.032 0.000 1.048 345 A CA -0.578 51.425 52.037 -0.058 0.000 0.708 345 A CB 1.450 20.448 19.000 -0.003 0.000 1.274 345 A HN 0.658 nan 8.150 nan 0.000 0.410 346 L N 1.211 122.451 121.223 0.029 0.000 2.410 346 L HA 0.782 5.159 4.340 0.062 0.000 0.270 346 L C 0.476 177.498 176.870 0.254 0.000 0.983 346 L CA -0.154 54.753 54.840 0.112 0.000 0.822 346 L CB 1.599 43.741 42.059 0.139 0.000 1.285 346 L HN 0.992 nan 8.230 nan 0.000 0.409 347 A N 3.326 126.255 122.820 0.182 0.000 2.269 347 A HA 0.871 5.228 4.320 0.062 0.000 0.319 347 A C -1.119 176.532 177.584 0.113 0.000 1.110 347 A CA -0.457 51.682 52.037 0.171 0.000 0.847 347 A CB 1.158 20.164 19.000 0.009 0.000 1.161 347 A HN 0.712 nan 8.150 nan 0.000 0.497 348 L N 0.833 122.015 121.223 -0.068 0.000 2.409 348 L HA 0.688 5.065 4.340 0.062 0.000 0.272 348 L C -1.741 174.959 176.870 -0.283 0.000 0.980 348 L CA -0.608 53.995 54.840 -0.394 0.000 0.826 348 L CB 1.709 43.092 42.059 -1.127 0.000 1.268 348 L HN 0.628 nan 8.230 nan 0.000 0.407 349 L N 5.274 126.369 121.223 -0.213 0.000 2.280 349 L HA 0.561 4.938 4.340 0.062 0.000 0.287 349 L C -0.538 176.250 176.870 -0.136 0.000 1.023 349 L CA -0.016 54.755 54.840 -0.115 0.000 0.819 349 L CB 1.076 43.125 42.059 -0.017 0.000 1.212 349 L HN 0.610 nan 8.230 nan 0.000 0.420 350 R N 5.417 125.854 120.500 -0.105 0.000 2.246 350 R HA 0.394 4.771 4.340 0.062 0.000 0.332 350 R C 0.250 176.552 176.300 0.003 0.000 0.974 350 R CA -0.344 55.708 56.100 -0.080 0.000 0.837 350 R CB 0.990 31.233 30.300 -0.095 0.000 1.145 350 R HN 0.736 nan 8.270 nan 0.000 0.467 351 L N 1.823 123.048 121.223 0.003 0.000 2.616 351 L HA 0.057 4.435 4.340 0.062 0.000 0.229 351 L C 0.987 177.896 176.870 0.065 0.000 1.110 351 L CA -0.028 54.852 54.840 0.066 0.000 0.884 351 L CB -0.183 41.878 42.059 0.003 0.000 1.115 351 L HN 0.640 nan 8.230 nan 0.000 0.481 352 D N -0.138 120.273 120.400 0.019 0.000 2.277 352 D HA -0.003 4.675 4.640 0.062 0.000 0.279 352 D C 1.416 177.720 176.300 0.007 0.000 1.197 352 D CA 0.349 54.355 54.000 0.010 0.000 1.037 352 D CB 0.076 40.875 40.800 -0.001 0.000 1.128 352 D HN -0.069 nan 8.370 nan 0.000 0.531 353 G N -0.538 108.262 108.800 -0.000 0.000 2.395 353 G HA2 0.206 4.203 3.960 0.062 0.000 0.214 353 G HA3 0.206 4.203 3.960 0.062 0.000 0.214 353 G C 0.862 175.762 174.900 0.001 0.000 1.177 353 G CA 1.270 46.368 45.100 -0.004 0.000 0.794 353 G HN 0.731 nan 8.290 nan 0.000 0.532 354 A N -1.184 121.637 122.820 0.000 0.000 2.388 354 A HA 0.637 4.994 4.320 0.062 0.000 0.280 354 A C 1.158 178.744 177.584 0.004 0.000 1.377 354 A CA 0.371 52.411 52.037 0.004 0.000 0.863 354 A CB 0.760 19.763 19.000 0.005 0.000 1.416 354 A HN 0.241 nan 8.150 nan 0.000 0.517 355 Q N -1.578 118.229 119.800 0.011 0.000 2.534 355 Q HA 0.170 4.548 4.340 0.062 0.000 0.252 355 Q C 0.982 176.986 176.000 0.006 0.000 0.850 355 Q CA 0.482 56.301 55.803 0.028 0.000 0.974 355 Q CB 0.416 29.195 28.738 0.069 0.000 1.205 355 Q HN 0.920 nan 8.270 nan 0.000 0.593 356 G N 0.507 109.318 108.800 0.018 0.000 2.491 356 G HA2 0.054 4.051 3.960 0.062 0.000 0.242 356 G HA3 0.054 4.051 3.960 0.062 0.000 0.242 356 G C -1.104 173.793 174.900 -0.005 0.000 1.266 356 G CA -0.427 44.698 45.100 0.042 0.000 0.844 356 G HN 0.205 nan 8.290 nan 0.000 0.571 357 W N 1.412 122.665 121.300 -0.078 0.000 2.417 357 W HA 0.301 4.998 4.660 0.062 0.000 0.332 357 W C -1.622 174.789 176.519 -0.181 0.000 1.413 357 W CA -0.964 56.300 57.345 -0.136 0.000 1.299 357 W CB 0.194 29.574 29.460 -0.132 0.000 1.304 357 W HN 0.309 nan 8.180 nan 0.000 0.565 358 P HA 0.025 nan 4.420 nan 0.000 0.261 358 P C 0.968 178.074 177.300 -0.323 0.000 1.203 358 P CA 0.852 63.817 63.100 -0.226 0.000 0.767 358 P CB 0.491 31.887 31.700 -0.508 0.000 0.785 359 E N 4.169 124.319 120.200 -0.083 0.000 2.095 359 E HA -0.303 4.085 4.350 0.062 0.000 0.212 359 E C 1.448 177.969 176.600 -0.132 0.000 1.044 359 E CA 2.556 58.931 56.400 -0.041 0.000 0.857 359 E CB -2.010 27.727 29.700 0.061 0.000 0.764 359 E HN 0.671 nan 8.360 nan 0.000 0.462 360 F N 0.525 120.394 119.950 -0.135 0.000 2.250 360 F HA 0.110 4.674 4.527 0.062 0.000 0.301 360 F C 2.768 178.347 175.800 -0.368 0.000 1.077 360 F CA 2.126 59.992 58.000 -0.225 0.000 1.348 360 F CB -1.185 37.650 39.000 -0.274 0.000 1.040 360 F HN 0.334 nan 8.300 nan 0.000 0.509 361 L N 1.170 121.767 121.223 -1.045 0.000 2.072 361 L HA 0.032 4.409 4.340 0.062 0.000 0.205 361 L C 2.759 179.488 176.870 -0.235 0.000 1.079 361 L CA 2.232 56.692 54.840 -0.633 0.000 0.752 361 L CB -1.647 40.079 42.059 -0.555 0.000 0.906 361 L HN 0.473 nan 8.230 nan 0.000 0.436 362 R N -0.172 120.193 120.500 -0.226 0.000 2.070 362 R HA -0.188 4.189 4.340 0.062 0.000 0.233 362 R C 2.750 178.963 176.300 -0.146 0.000 1.137 362 R CA 2.337 58.282 56.100 -0.258 0.000 0.945 362 R CB -0.344 29.806 30.300 -0.249 0.000 0.845 362 R HN 0.552 nan 8.270 nan 0.000 0.430 363 R N 0.439 120.888 120.500 -0.086 0.000 2.096 363 R HA -0.013 4.364 4.340 0.062 0.000 0.235 363 R C 2.329 178.653 176.300 0.040 0.000 1.127 363 R CA 1.718 57.812 56.100 -0.010 0.000 0.968 363 R CB -1.474 28.843 30.300 0.029 0.000 0.861 363 R HN 0.586 nan 8.270 nan 0.000 0.440 364 A N 0.749 123.598 122.820 0.048 0.000 1.877 364 A HA 0.036 4.393 4.320 0.062 0.000 0.216 364 A C 2.504 180.187 177.584 0.164 0.000 1.186 364 A CA 1.446 53.579 52.037 0.160 0.000 0.620 364 A CB -0.333 18.815 19.000 0.247 0.000 0.822 364 A HN 0.464 nan 8.150 nan 0.000 0.443 365 L N -0.614 120.690 121.223 0.135 0.000 1.988 365 L HA -0.157 4.220 4.340 0.062 0.000 0.207 365 L C 2.582 179.649 176.870 0.329 0.000 1.071 365 L CA 1.244 56.234 54.840 0.250 0.000 0.744 365 L CB -0.556 41.590 42.059 0.145 0.000 0.893 365 L HN 0.369 nan 8.230 nan 0.000 0.433 366 L N -0.182 121.131 121.223 0.150 0.000 2.137 366 L HA -0.319 4.059 4.340 0.062 0.000 0.213 366 L C 3.244 180.209 176.870 0.159 0.000 1.085 366 L CA 1.800 56.718 54.840 0.130 0.000 0.760 366 L CB -0.935 41.128 42.059 0.006 0.000 0.893 366 L HN 0.345 nan 8.230 nan 0.000 0.434 367 R N -0.017 120.551 120.500 0.113 0.000 2.153 367 R HA 0.133 4.510 4.340 0.062 0.000 0.218 367 R C 2.231 178.544 176.300 0.022 0.000 1.072 367 R CA 1.232 57.370 56.100 0.064 0.000 0.990 367 R CB -1.258 29.074 30.300 0.052 0.000 0.889 367 R HN 0.480 nan 8.270 nan 0.000 0.452 368 A N -0.420 122.410 122.820 0.017 0.000 1.970 368 A HA 0.221 4.578 4.320 0.062 0.000 0.216 368 A C 2.102 179.548 177.584 -0.230 0.000 1.170 368 A CA 1.027 52.944 52.037 -0.200 0.000 0.645 368 A CB -0.322 18.553 19.000 -0.209 0.000 0.816 368 A HN 0.502 nan 8.150 nan 0.000 0.447 369 F N -0.067 119.950 119.950 0.112 0.000 2.416 369 F HA 0.132 4.698 4.527 0.064 0.000 0.296 369 F C 2.550 178.374 175.800 0.040 0.000 1.099 369 F CA 0.622 58.690 58.000 0.113 0.000 1.427 369 F CB -0.540 38.511 39.000 0.085 0.000 1.079 369 F HN 0.275 nan 8.300 nan 0.000 0.536 370 G N 0.181 109.084 108.800 0.171 0.000 2.459 370 G HA2 -0.257 3.741 3.960 0.062 0.000 0.217 370 G HA3 -0.257 3.741 3.960 0.062 0.000 0.217 370 G C 1.942 176.860 174.900 0.031 0.000 1.183 370 G CA 0.949 46.097 45.100 0.080 0.000 0.776 370 G HN 0.406 nan 8.290 nan 0.000 0.552 371 A N 0.588 123.398 122.820 -0.018 0.000 1.908 371 A HA 0.301 4.659 4.320 0.062 0.000 0.218 371 A C 2.137 179.683 177.584 -0.064 0.000 1.181 371 A CA 2.141 54.136 52.037 -0.070 0.000 0.627 371 A CB -1.068 17.844 19.000 -0.148 0.000 0.818 371 A HN 0.870 nan 8.150 nan 0.000 0.445 372 S N -1.386 114.282 115.700 -0.053 0.000 2.640 372 S HA 0.471 4.978 4.470 0.062 0.000 0.262 372 S C 1.443 176.078 174.600 0.059 0.000 1.232 372 S CA 0.087 58.293 58.200 0.011 0.000 0.988 372 S CB -0.188 63.065 63.200 0.089 0.000 1.034 372 S HN 0.697 nan 8.310 nan 0.000 0.569 373 G N -0.408 108.434 108.800 0.069 0.000 2.425 373 G HA2 0.422 4.419 3.960 0.062 0.000 0.213 373 G HA3 0.422 4.419 3.960 0.062 0.000 0.213 373 G C 0.799 175.749 174.900 0.083 0.000 1.201 373 G CA 1.290 46.424 45.100 0.057 0.000 0.799 373 G HN 1.149 nan 8.290 nan 0.000 0.534 374 A N -0.509 122.383 122.820 0.121 0.000 2.336 374 A HA 0.728 5.085 4.320 0.062 0.000 0.291 374 A C 0.212 177.876 177.584 0.133 0.000 1.266 374 A CA -0.108 51.992 52.037 0.106 0.000 0.891 374 A CB 0.731 19.780 19.000 0.081 0.000 1.366 374 A HN 0.283 nan 8.150 nan 0.000 0.507 375 S N -1.521 114.203 115.700 0.039 0.000 2.651 375 S HA 0.613 5.120 4.470 0.062 0.000 0.291 375 S C -0.813 173.671 174.600 -0.194 0.000 1.141 375 S CA -0.371 57.803 58.200 -0.043 0.000 1.027 375 S CB 0.902 64.074 63.200 -0.047 0.000 1.043 375 S HN 0.711 nan 8.310 nan 0.000 0.530 376 L N 3.106 124.140 121.223 -0.316 0.000 2.333 376 L HA 0.715 5.092 4.340 0.062 0.000 0.269 376 L C -1.061 175.624 176.870 -0.309 0.000 1.010 376 L CA -0.276 54.248 54.840 -0.527 0.000 0.818 376 L CB 1.460 42.992 42.059 -0.878 0.000 1.306 376 L HN 0.630 nan 8.230 nan 0.000 0.430 377 R N 4.907 125.250 120.500 -0.261 0.000 2.502 377 R HA 0.497 4.875 4.340 0.062 0.000 0.298 377 R C -1.723 174.500 176.300 -0.127 0.000 1.018 377 R CA -0.989 55.013 56.100 -0.164 0.000 0.899 377 R CB 1.359 31.632 30.300 -0.045 0.000 1.181 377 R HN 0.337 nan 8.270 nan 0.000 0.444 378 L N 4.135 125.210 121.223 -0.247 0.000 2.290 378 L HA 0.361 4.738 4.340 0.062 0.000 0.284 378 L C 0.842 177.699 176.870 -0.020 0.000 1.078 378 L CA 0.030 54.729 54.840 -0.236 0.000 0.815 378 L CB 0.087 41.638 42.059 -0.847 0.000 1.162 378 L HN 0.494 nan 8.230 nan 0.000 0.435 379 H N 1.472 120.613 119.070 0.118 0.000 2.630 379 H HA 0.588 5.181 4.556 0.062 0.000 0.343 379 H C -0.607 174.852 175.328 0.218 0.000 1.232 379 H CA -0.556 55.561 56.048 0.116 0.000 1.294 379 H CB 2.205 31.994 29.762 0.045 0.000 1.746 379 H HN 0.408 nan 8.280 nan 0.000 0.593 380 T N 2.172 116.814 114.554 0.147 0.000 2.949 380 T HA 0.214 4.602 4.350 0.062 0.000 0.300 380 T C 0.057 174.546 174.700 -0.351 0.000 0.988 380 T CA -0.713 61.316 62.100 -0.118 0.000 0.993 380 T CB 0.682 69.416 68.868 -0.224 0.000 0.984 380 T HN 0.253 nan 8.240 nan 0.000 0.442 381 L N 4.649 125.726 121.223 -0.243 0.000 2.562 381 L HA 0.147 4.524 4.340 0.062 0.000 0.271 381 L C 0.529 177.239 176.870 -0.266 0.000 1.167 381 L CA 0.023 54.739 54.840 -0.207 0.000 0.917 381 L CB 0.038 42.021 42.059 -0.126 0.000 1.187 381 L HN 0.623 nan 8.230 nan 0.000 0.482 382 H N 4.326 123.411 119.070 0.026 0.000 2.432 382 H HA 0.608 5.202 4.556 0.063 0.000 0.226 382 H C -0.224 175.145 175.328 0.069 0.000 1.634 382 H CA -0.136 55.939 56.048 0.045 0.000 1.253 382 H CB 0.566 30.348 29.762 0.033 0.000 1.584 382 H HN 0.679 nan 8.280 nan 0.000 0.545 383 A N 1.557 124.500 122.820 0.206 0.000 2.594 383 A HA 0.372 4.729 4.320 0.062 0.000 0.296 383 A C -1.576 176.290 177.584 0.471 0.000 1.061 383 A CA -0.688 51.520 52.037 0.286 0.000 0.689 383 A CB 2.086 21.176 19.000 0.150 0.000 1.280 383 A HN 0.571 nan 8.150 nan 0.000 0.406 384 H N 1.631 120.900 119.070 0.332 0.000 2.622 384 H HA 0.440 5.033 4.556 0.062 0.000 0.363 384 H C -2.235 173.010 175.328 -0.139 0.000 1.151 384 H CA -1.813 54.295 56.048 0.101 0.000 1.184 384 H CB 2.704 32.479 29.762 0.021 0.000 1.643 384 H HN 0.307 nan 8.280 nan 0.000 0.531 385 P HA -0.040 nan 4.420 nan 0.000 0.226 385 P C 1.296 178.409 177.300 -0.311 0.000 1.153 385 P CA 1.570 64.037 63.100 -1.055 0.000 0.777 385 P CB 0.082 31.128 31.700 -1.090 0.000 0.794 386 S N 0.274 115.963 115.700 -0.018 0.000 2.440 386 S HA -0.250 4.257 4.470 0.062 0.000 0.238 386 S C 1.849 176.501 174.600 0.088 0.000 1.010 386 S CA 1.188 59.462 58.200 0.124 0.000 0.972 386 S CB -1.094 62.267 63.200 0.269 0.000 0.774 386 S HN 0.286 nan 8.310 nan 0.000 0.501 387 Q N 0.248 120.119 119.800 0.120 0.000 2.500 387 Q HA 0.237 4.615 4.340 0.062 0.000 0.213 387 Q C 1.603 177.664 176.000 0.102 0.000 0.974 387 Q CA 0.102 55.978 55.803 0.122 0.000 0.918 387 Q CB -0.462 28.385 28.738 0.181 0.000 0.980 387 Q HN 0.778 nan 8.270 nan 0.000 0.505 388 G N 1.025 109.871 108.800 0.075 0.000 2.550 388 G HA2 -0.387 3.611 3.960 0.062 0.000 0.277 388 G HA3 -0.387 3.611 3.960 0.062 0.000 0.277 388 G C 0.533 175.501 174.900 0.113 0.000 1.190 388 G CA 0.174 45.313 45.100 0.065 0.000 0.971 388 G HN 0.279 nan 8.290 nan 0.000 0.559 389 L N 0.685 121.959 121.223 0.085 0.000 2.021 389 L HA -0.150 4.227 4.340 0.062 0.000 0.215 389 L C 3.597 180.525 176.870 0.097 0.000 1.074 389 L CA 2.608 57.498 54.840 0.084 0.000 0.760 389 L CB -0.917 41.175 42.059 0.055 0.000 0.889 389 L HN 0.973 nan 8.230 nan 0.000 0.433 390 A N -0.365 122.510 122.820 0.091 0.000 2.009 390 A HA -0.339 4.018 4.320 0.062 0.000 0.222 390 A C 2.130 179.776 177.584 0.105 0.000 1.175 390 A CA 2.253 54.341 52.037 0.085 0.000 0.651 390 A CB -1.046 18.004 19.000 0.084 0.000 0.815 390 A HN 0.528 nan 8.150 nan 0.000 0.459 391 F N -0.092 119.864 119.950 0.011 0.000 2.234 391 F HA -0.076 4.488 4.527 0.062 0.000 0.299 391 F C 2.331 178.127 175.800 -0.008 0.000 1.087 391 F CA 1.582 59.583 58.000 0.002 0.000 1.340 391 F CB -0.148 38.844 39.000 -0.013 0.000 1.031 391 F HN 0.109 nan 8.300 nan 0.000 0.500 392 R N 0.513 121.049 120.500 0.060 0.000 2.120 392 R HA -0.149 4.229 4.340 0.062 0.000 0.234 392 R C 2.421 178.650 176.300 -0.119 0.000 1.123 392 R CA 1.486 57.558 56.100 -0.048 0.000 0.975 392 R CB -0.619 29.704 30.300 0.039 0.000 0.866 392 R HN 0.528 nan 8.270 nan 0.000 0.446 393 E N 0.488 120.642 120.200 -0.077 0.000 2.085 393 E HA -0.163 4.224 4.350 0.062 0.000 0.194 393 E C 1.867 178.396 176.600 -0.117 0.000 0.994 393 E CA 1.378 57.737 56.400 -0.069 0.000 0.801 393 E CB -0.678 29.004 29.700 -0.030 0.000 0.743 393 E HN 0.538 nan 8.360 nan 0.000 0.453 394 A N 0.465 123.175 122.820 -0.184 0.000 1.908 394 A HA -0.038 4.319 4.320 0.062 0.000 0.218 394 A C 2.537 179.967 177.584 -0.257 0.000 1.181 394 A CA 1.649 53.554 52.037 -0.220 0.000 0.627 394 A CB -0.449 18.362 19.000 -0.314 0.000 0.818 394 A HN 0.493 nan 8.150 nan 0.000 0.445 395 L N -1.317 119.698 121.223 -0.346 0.000 2.056 395 L HA -0.156 4.221 4.340 0.062 0.000 0.207 395 L C 2.787 179.565 176.870 -0.153 0.000 1.078 395 L CA 1.619 56.303 54.840 -0.261 0.000 0.749 395 L CB -0.600 41.302 42.059 -0.261 0.000 0.901 395 L HN 0.452 nan 8.230 nan 0.000 0.433 396 R N 1.130 121.558 120.500 -0.121 0.000 2.096 396 R HA -0.215 4.163 4.340 0.062 0.000 0.240 396 R C 2.271 178.527 176.300 -0.073 0.000 1.139 396 R CA 1.819 57.873 56.100 -0.077 0.000 0.952 396 R CB -0.066 30.200 30.300 -0.056 0.000 0.854 396 R HN 0.341 nan 8.270 nan 0.000 0.436 397 K N -0.234 120.120 120.400 -0.076 0.000 2.057 397 K HA -0.078 4.279 4.320 0.062 0.000 0.206 397 K C 2.154 178.710 176.600 -0.074 0.000 1.050 397 K CA 1.353 57.606 56.287 -0.057 0.000 0.935 397 K CB -0.151 32.325 32.500 -0.039 0.000 0.715 397 K HN 0.218 nan 8.250 nan 0.000 0.439 398 A N 1.990 124.745 122.820 -0.110 0.000 1.845 398 A HA -0.231 4.126 4.320 0.062 0.000 0.215 398 A C 2.105 179.578 177.584 -0.184 0.000 1.195 398 A CA 1.902 53.840 52.037 -0.164 0.000 0.616 398 A CB -0.505 18.391 19.000 -0.174 0.000 0.832 398 A HN 0.151 nan 8.150 nan 0.000 0.443 399 K N 0.175 120.493 120.400 -0.136 0.000 2.059 399 K HA -0.255 4.103 4.320 0.062 0.000 0.212 399 K C 1.946 178.492 176.600 -0.090 0.000 1.050 399 K CA 2.326 58.549 56.287 -0.107 0.000 0.927 399 K CB -0.376 32.079 32.500 -0.076 0.000 0.714 399 K HN 0.590 nan 8.250 nan 0.000 0.447 400 E N 0.557 120.713 120.200 -0.074 0.000 2.070 400 E HA -0.208 4.180 4.350 0.062 0.000 0.197 400 E C 0.680 177.250 176.600 -0.050 0.000 1.004 400 E CA 1.826 58.195 56.400 -0.051 0.000 0.805 400 E CB -0.049 29.628 29.700 -0.039 0.000 0.744 400 E HN 0.469 nan 8.360 nan 0.000 0.451 401 E N -1.113 119.049 120.200 -0.063 0.000 2.335 401 E HA 0.107 4.494 4.350 0.062 0.000 0.191 401 E C 0.610 177.156 176.600 -0.090 0.000 1.150 401 E CA 0.281 56.658 56.400 -0.037 0.000 1.001 401 E CB 0.170 29.889 29.700 0.031 0.000 1.127 401 E HN 0.519 nan 8.360 nan 0.000 0.462 402 G N 0.259 108.997 108.800 -0.103 0.000 2.175 402 G HA2 -0.288 3.709 3.960 0.062 0.000 0.244 402 G HA3 -0.288 3.709 3.960 0.062 0.000 0.244 402 G C 0.507 175.322 174.900 -0.141 0.000 0.982 402 G CA 0.018 45.062 45.100 -0.094 0.000 0.641 402 G HN 0.225 nan 8.290 nan 0.000 0.527 403 V N 0.647 120.419 119.914 -0.237 0.000 2.763 403 V HA 0.242 4.400 4.120 0.062 0.000 0.306 403 V C 1.408 177.436 176.094 -0.111 0.000 1.059 403 V CA 1.445 63.610 62.300 -0.225 0.000 1.138 403 V CB 1.515 33.160 31.823 -0.296 0.000 0.940 403 V HN 0.522 nan 8.190 nan 0.000 0.489 404 Q N 2.191 121.950 119.800 -0.068 0.000 2.511 404 Q HA 0.506 4.883 4.340 0.062 0.000 0.236 404 Q C 0.340 176.334 176.000 -0.011 0.000 0.893 404 Q CA 0.747 56.531 55.803 -0.031 0.000 0.947 404 Q CB 1.112 29.839 28.738 -0.018 0.000 1.110 404 Q HN 0.909 nan 8.270 nan 0.000 0.591 405 A N 0.109 122.928 122.820 -0.002 0.000 2.609 405 A HA 0.682 5.039 4.320 0.062 0.000 0.291 405 A C -1.768 175.829 177.584 0.022 0.000 1.096 405 A CA -0.569 51.477 52.037 0.015 0.000 0.684 405 A CB 1.849 20.866 19.000 0.029 0.000 1.282 405 A HN 0.063 nan 8.150 nan 0.000 0.412 406 V N 0.689 120.614 119.914 0.019 0.000 2.656 406 V HA 0.788 4.945 4.120 0.062 0.000 0.307 406 V C -1.263 174.835 176.094 0.007 0.000 1.051 406 V CA -0.740 61.569 62.300 0.015 0.000 0.893 406 V CB 1.456 33.270 31.823 -0.015 0.000 0.999 406 V HN 1.367 nan 8.190 nan 0.000 0.426 407 L N 6.668 127.886 121.223 -0.010 0.000 2.305 407 L HA 0.690 5.068 4.340 0.062 0.000 0.281 407 L C -0.541 176.248 176.870 -0.136 0.000 1.085 407 L CA 0.342 55.149 54.840 -0.055 0.000 0.813 407 L CB 1.516 43.541 42.059 -0.057 0.000 1.157 407 L HN 0.624 nan 8.230 nan 0.000 0.436 408 V N 6.789 126.645 119.914 -0.096 0.000 2.384 408 V HA 0.383 4.541 4.120 0.062 0.000 0.287 408 V C -0.040 175.991 176.094 -0.104 0.000 1.020 408 V CA -0.550 61.687 62.300 -0.104 0.000 0.850 408 V CB 1.481 33.264 31.823 -0.068 0.000 0.987 408 V HN 0.597 nan 8.190 nan 0.000 0.436 409 L N 4.777 125.922 121.223 -0.131 0.000 2.264 409 L HA 0.736 5.114 4.340 0.062 0.000 0.289 409 L C 0.081 176.912 176.870 -0.065 0.000 1.044 409 L CA 0.152 54.934 54.840 -0.096 0.000 0.807 409 L CB 1.592 43.575 42.059 -0.126 0.000 1.192 409 L HN 0.699 nan 8.230 nan 0.000 0.425 410 T N 3.928 118.455 114.554 -0.044 0.000 3.012 410 T HA 0.413 4.801 4.350 0.062 0.000 0.330 410 T C -2.859 171.826 174.700 -0.025 0.000 1.321 410 T CA -1.130 60.949 62.100 -0.034 0.000 1.067 410 T CB 2.154 70.993 68.868 -0.049 0.000 1.235 410 T HN 0.231 nan 8.240 nan 0.000 0.479 411 P HA 0.272 nan 4.420 nan 0.000 0.269 411 P C -2.736 174.548 177.300 -0.025 0.000 1.215 411 P CA -1.268 61.825 63.100 -0.012 0.000 0.780 411 P CB -0.845 30.852 31.700 -0.005 0.000 0.898 412 P HA -0.009 nan 4.420 nan 0.000 0.255 412 P C 0.372 177.639 177.300 -0.056 0.000 1.161 412 P CA 1.139 64.212 63.100 -0.046 0.000 0.768 412 P CB -0.095 31.585 31.700 -0.033 0.000 0.746 413 M N 2.330 121.879 119.600 -0.085 0.000 2.114 413 M HA 0.400 4.917 4.480 0.062 0.000 0.293 413 M C 0.707 176.950 176.300 -0.095 0.000 1.201 413 M CA -0.295 54.954 55.300 -0.086 0.000 1.107 413 M CB 0.551 33.087 32.600 -0.106 0.000 1.405 413 M HN 0.232 nan 8.290 nan 0.000 0.486 414 A N -0.285 122.502 122.820 -0.055 0.000 2.305 414 A HA 0.279 4.636 4.320 0.062 0.000 0.322 414 A C 0.020 177.624 177.584 0.033 0.000 1.187 414 A CA -0.627 51.408 52.037 -0.003 0.000 0.825 414 A CB 0.099 19.123 19.000 0.040 0.000 1.164 414 A HN 1.053 nan 8.150 nan 0.000 0.498 415 W N 0.865 122.163 121.300 -0.002 0.000 2.275 415 W HA -0.325 4.372 4.660 0.062 0.000 0.321 415 W C 2.557 179.073 176.519 -0.006 0.000 1.269 415 W CA 3.171 60.515 57.345 -0.002 0.000 1.274 415 W CB -0.127 29.334 29.460 0.002 0.000 1.141 415 W HN 0.929 nan 8.180 nan 0.000 0.493 416 E N -0.071 120.285 120.200 0.260 0.000 2.110 416 E HA -0.212 4.175 4.350 0.062 0.000 0.193 416 E C 1.339 177.989 176.600 0.083 0.000 0.988 416 E CA 1.891 58.379 56.400 0.148 0.000 0.804 416 E CB -0.881 28.879 29.700 0.101 0.000 0.745 416 E HN 0.362 nan 8.360 nan 0.000 0.458 417 D N -0.428 120.002 120.400 0.050 0.000 2.149 417 D HA -0.089 4.588 4.640 0.062 0.000 0.206 417 D C 2.057 178.342 176.300 -0.025 0.000 0.967 417 D CA 0.902 54.900 54.000 -0.003 0.000 0.848 417 D CB -0.341 40.444 40.800 -0.024 0.000 0.998 417 D HN 0.214 nan 8.370 nan 0.000 0.474 418 R N 1.241 121.724 120.500 -0.029 0.000 2.113 418 R HA -0.157 4.220 4.340 0.062 0.000 0.244 418 R C 1.452 177.737 176.300 -0.024 0.000 1.142 418 R CA 1.322 57.381 56.100 -0.068 0.000 0.953 418 R CB -0.375 29.827 30.300 -0.163 0.000 0.860 418 R HN 0.120 nan 8.270 nan 0.000 0.438 419 N N 0.495 119.224 118.700 0.049 0.000 2.135 419 N HA -0.141 4.636 4.740 0.062 0.000 0.186 419 N C 1.843 177.344 175.510 -0.016 0.000 1.027 419 N CA 1.154 54.241 53.050 0.061 0.000 0.849 419 N CB -0.502 38.070 38.487 0.142 0.000 1.002 419 N HN 0.293 nan 8.380 nan 0.000 0.425 420 R N 0.401 120.892 120.500 -0.014 0.000 2.105 420 R HA -0.096 4.281 4.340 0.062 0.000 0.239 420 R C 1.858 178.107 176.300 -0.084 0.000 1.135 420 R CA 1.010 57.082 56.100 -0.047 0.000 0.967 420 R CB -0.252 30.033 30.300 -0.025 0.000 0.861 420 R HN 0.162 nan 8.270 nan 0.000 0.442 421 L N 1.053 122.227 121.223 -0.082 0.000 2.068 421 L HA -0.045 4.333 4.340 0.062 0.000 0.204 421 L C 1.810 178.637 176.870 -0.072 0.000 1.076 421 L CA 1.749 56.535 54.840 -0.090 0.000 0.753 421 L CB -0.418 41.574 42.059 -0.111 0.000 0.910 421 L HN -0.051 nan 8.230 nan 0.000 0.439 422 K N 0.323 120.682 120.400 -0.068 0.000 2.074 422 K HA -0.075 4.282 4.320 0.062 0.000 0.209 422 K C 2.047 178.583 176.600 -0.107 0.000 1.048 422 K CA 1.563 57.817 56.287 -0.054 0.000 0.926 422 K CB -0.827 31.661 32.500 -0.020 0.000 0.713 422 K HN 0.497 nan 8.250 nan 0.000 0.444 423 A N 0.562 123.258 122.820 -0.207 0.000 2.021 423 A HA -0.036 4.321 4.320 0.062 0.000 0.216 423 A C 2.103 179.494 177.584 -0.322 0.000 1.163 423 A CA 0.454 52.215 52.037 -0.460 0.000 0.676 423 A CB -0.285 18.163 19.000 -0.919 0.000 0.818 423 A HN 0.175 nan 8.150 nan 0.000 0.453 424 L N 0.417 121.545 121.223 -0.159 0.000 1.970 424 L HA -0.143 4.235 4.340 0.062 0.000 0.212 424 L C 2.300 179.172 176.870 0.003 0.000 1.071 424 L CA 1.873 56.694 54.840 -0.031 0.000 0.751 424 L CB -0.711 41.359 42.059 0.019 0.000 0.889 424 L HN 0.413 nan 8.230 nan 0.000 0.432 425 L N -1.458 119.769 121.223 0.006 0.000 2.042 425 L HA -0.247 4.130 4.340 0.062 0.000 0.210 425 L C 2.572 179.428 176.870 -0.022 0.000 1.076 425 L CA 0.840 55.685 54.840 0.009 0.000 0.749 425 L CB -0.928 41.140 42.059 0.016 0.000 0.893 425 L HN 0.304 nan 8.230 nan 0.000 0.432 426 L N 0.039 121.228 121.223 -0.057 0.000 2.079 426 L HA -0.187 4.190 4.340 0.062 0.000 0.210 426 L C 2.645 179.499 176.870 -0.028 0.000 1.081 426 L CA 1.647 56.437 54.840 -0.083 0.000 0.752 426 L CB -0.875 41.085 42.059 -0.165 0.000 0.896 426 L HN 0.157 nan 8.230 nan 0.000 0.433 427 R N -0.790 119.720 120.500 0.015 0.000 2.328 427 R HA -0.090 4.287 4.340 0.062 0.000 0.207 427 R C 1.028 177.342 176.300 0.023 0.000 1.056 427 R CA 0.518 56.652 56.100 0.057 0.000 1.016 427 R CB 0.108 30.476 30.300 0.112 0.000 0.872 427 R HN 0.320 nan 8.270 nan 0.000 0.471 428 E N -0.981 119.220 120.200 0.003 0.000 2.526 428 E HA 0.103 4.490 4.350 0.062 0.000 0.208 428 E C 0.345 176.934 176.600 -0.018 0.000 0.997 428 E CA 0.254 56.647 56.400 -0.012 0.000 0.961 428 E CB 1.348 31.032 29.700 -0.027 0.000 1.030 428 E HN 0.361 nan 8.360 nan 0.000 0.483 429 G N 1.850 110.641 108.800 -0.015 0.000 2.289 429 G HA2 -0.260 3.737 3.960 0.062 0.000 0.280 429 G HA3 -0.260 3.737 3.960 0.062 0.000 0.280 429 G C -0.034 174.860 174.900 -0.009 0.000 1.089 429 G CA 0.186 45.280 45.100 -0.009 0.000 0.939 429 G HN 0.195 nan 8.290 nan 0.000 0.499 430 L N 0.353 121.567 121.223 -0.016 0.000 2.454 430 L HA 0.310 4.687 4.340 0.062 0.000 0.258 430 L C -2.231 174.640 176.870 0.003 0.000 1.025 430 L CA -2.077 52.757 54.840 -0.011 0.000 0.901 430 L CB 2.229 44.272 42.059 -0.028 0.000 1.210 430 L HN -0.079 nan 8.230 nan 0.000 0.457 431 P HA 0.025 nan 4.420 nan 0.000 0.266 431 P C -0.785 176.536 177.300 0.035 0.000 1.193 431 P CA 0.216 63.352 63.100 0.059 0.000 0.770 431 P CB 0.726 32.481 31.700 0.093 0.000 0.836 432 S N 1.294 117.015 115.700 0.036 0.000 2.532 432 S HA 0.562 5.069 4.470 0.062 0.000 0.299 432 S C -0.877 173.731 174.600 0.013 0.000 1.105 432 S CA -0.815 57.395 58.200 0.017 0.000 1.018 432 S CB 1.712 64.916 63.200 0.006 0.000 1.021 432 S HN 0.303 nan 8.310 nan 0.000 0.483 433 Q N 2.247 122.052 119.800 0.009 0.000 2.322 433 Q HA 0.583 4.960 4.340 0.062 0.000 0.265 433 Q C -1.375 174.622 176.000 -0.005 0.000 0.985 433 Q CA -0.440 55.368 55.803 0.009 0.000 0.849 433 Q CB 0.835 29.590 28.738 0.028 0.000 1.274 433 Q HN 0.797 nan 8.270 nan 0.000 0.449 434 I N 4.287 124.849 120.570 -0.013 0.000 2.365 434 I HA 0.270 4.478 4.170 0.062 0.000 0.291 434 I C -0.733 175.383 176.117 -0.002 0.000 1.004 434 I CA -0.930 60.354 61.300 -0.026 0.000 1.311 434 I CB 1.054 39.023 38.000 -0.052 0.000 1.401 434 I HN 0.498 nan 8.210 nan 0.000 0.491 435 L N 7.720 128.942 121.223 -0.001 0.000 2.356 435 L HA 0.483 4.860 4.340 0.062 0.000 0.277 435 L C -0.452 176.430 176.870 0.020 0.000 0.996 435 L CA -0.403 54.459 54.840 0.036 0.000 0.822 435 L CB 1.229 43.325 42.059 0.061 0.000 1.256 435 L HN 0.436 nan 8.230 nan 0.000 0.413 436 N N 3.031 121.751 118.700 0.033 0.000 2.514 436 N HA 0.142 4.919 4.740 0.062 0.000 0.277 436 N C 0.829 176.362 175.510 0.038 0.000 1.126 436 N CA -0.118 52.943 53.050 0.019 0.000 0.978 436 N CB 2.116 40.609 38.487 0.010 0.000 1.106 436 N HN 0.573 nan 8.380 nan 0.000 0.461 437 V N 3.708 123.636 119.914 0.022 0.000 2.283 437 V HA -0.026 4.131 4.120 0.062 0.000 0.243 437 V C -1.510 174.613 176.094 0.049 0.000 1.039 437 V CA 0.946 63.262 62.300 0.027 0.000 1.016 437 V CB -0.707 31.121 31.823 0.008 0.000 0.650 437 V HN 0.653 nan 8.190 nan 0.000 0.449 438 P HA 0.231 nan 4.420 nan 0.000 0.263 438 P C -0.741 176.608 177.300 0.081 0.000 1.345 438 P CA 0.866 63.998 63.100 0.054 0.000 1.119 438 P CB -0.245 31.479 31.700 0.040 0.000 1.363 439 L N 1.873 123.162 121.223 0.110 0.000 2.346 439 L HA 0.947 5.324 4.340 0.062 0.000 0.276 439 L C 0.426 177.388 176.870 0.153 0.000 1.006 439 L CA -1.177 53.766 54.840 0.172 0.000 0.817 439 L CB 1.132 43.334 42.059 0.238 0.000 1.272 439 L HN 0.335 nan 8.230 nan 0.000 0.421 440 R N 0.629 121.203 120.500 0.123 0.000 2.778 440 R HA 0.626 5.003 4.340 0.062 0.000 0.277 440 R C 0.700 176.939 176.300 -0.102 0.000 0.977 440 R CA 0.159 56.260 56.100 0.002 0.000 0.950 440 R CB 0.393 30.697 30.300 0.007 0.000 1.165 440 R HN 0.975 nan 8.270 nan 0.000 0.474 441 E N 0.945 120.880 120.200 -0.441 0.000 2.065 441 E HA -0.240 4.147 4.350 0.062 0.000 0.201 441 E C 1.535 178.143 176.600 0.014 0.000 1.016 441 E CA 1.964 58.021 56.400 -0.572 0.000 0.818 441 E CB 0.294 29.669 29.700 -0.540 0.000 0.749 441 E HN 0.814 nan 8.360 nan 0.000 0.453 442 E N 0.818 120.998 120.200 -0.032 0.000 2.463 442 E HA -0.187 4.201 4.350 0.062 0.000 0.201 442 E C 0.381 176.985 176.600 0.007 0.000 1.045 442 E CA 0.761 57.156 56.400 -0.009 0.000 0.872 442 E CB -0.304 29.383 29.700 -0.021 0.000 0.797 442 E HN 0.318 nan 8.360 nan 0.000 0.538 443 E N 0.439 120.689 120.200 0.084 0.000 2.379 443 E HA 0.035 4.422 4.350 0.062 0.000 0.209 443 E C 1.803 178.366 176.600 -0.062 0.000 1.284 443 E CA 0.230 56.683 56.400 0.089 0.000 1.333 443 E CB -0.220 29.585 29.700 0.175 0.000 1.307 443 E HN 0.403 nan 8.360 nan 0.000 0.441 444 R N -0.048 120.282 120.500 -0.283 0.000 2.091 444 R HA -0.201 4.177 4.340 0.062 0.000 0.238 444 R C 1.528 177.303 176.300 -0.874 0.000 1.136 444 R CA 2.027 57.656 56.100 -0.785 0.000 0.959 444 R CB -1.279 28.649 30.300 -0.619 0.000 0.856 444 R HN 0.402 nan 8.270 nan 0.000 0.437 445 H N -0.468 118.344 119.070 -0.430 0.000 2.357 445 H HA 0.048 4.641 4.556 0.061 0.000 0.301 445 H C 2.337 177.610 175.328 -0.092 0.000 1.082 445 H CA 1.392 57.249 56.048 -0.318 0.000 1.342 445 H CB 0.006 29.440 29.762 -0.547 0.000 1.389 445 H HN 0.271 nan 8.280 nan 0.000 0.511 446 R N 1.226 121.749 120.500 0.038 0.000 2.097 446 R HA -0.171 4.206 4.340 0.062 0.000 0.236 446 R C 2.174 178.584 176.300 0.183 0.000 1.135 446 R CA 2.197 58.364 56.100 0.112 0.000 0.934 446 R CB -0.668 29.703 30.300 0.118 0.000 0.846 446 R HN 0.678 nan 8.270 nan 0.000 0.431 447 W N 0.367 121.775 121.300 0.179 0.000 2.425 447 W HA -0.083 4.616 4.660 0.064 0.000 0.277 447 W C 1.301 177.930 176.519 0.185 0.000 1.231 447 W CA 0.461 57.917 57.345 0.185 0.000 1.248 447 W CB -0.662 28.948 29.460 0.249 0.000 1.117 447 W HN 0.196 nan 8.180 nan 0.000 0.568 448 E N 1.286 121.509 120.200 0.038 0.000 2.077 448 E HA -0.212 4.175 4.350 0.062 0.000 0.193 448 E C 1.983 178.671 176.600 0.146 0.000 0.989 448 E CA 1.659 58.094 56.400 0.060 0.000 0.800 448 E CB -0.150 29.472 29.700 -0.129 0.000 0.746 448 E HN 0.067 nan 8.360 nan 0.000 0.452 449 N N -0.006 118.792 118.700 0.165 0.000 2.188 449 N HA -0.095 4.683 4.740 0.062 0.000 0.184 449 N C 1.500 177.081 175.510 0.119 0.000 1.018 449 N CA 1.196 54.316 53.050 0.117 0.000 0.858 449 N CB -0.375 38.201 38.487 0.148 0.000 0.989 449 N HN 0.194 nan 8.380 nan 0.000 0.426 450 A N 0.475 123.396 122.820 0.167 0.000 1.978 450 A HA -0.103 4.255 4.320 0.062 0.000 0.220 450 A C 2.055 179.731 177.584 0.153 0.000 1.170 450 A CA 1.022 53.150 52.037 0.152 0.000 0.636 450 A CB -0.490 18.620 19.000 0.183 0.000 0.810 450 A HN 0.139 nan 8.150 nan 0.000 0.448 451 L N -0.519 120.831 121.223 0.212 0.000 2.044 451 L HA -0.065 4.312 4.340 0.062 0.000 0.205 451 L C 2.515 179.467 176.870 0.136 0.000 1.075 451 L CA 1.457 56.426 54.840 0.215 0.000 0.747 451 L CB -0.992 41.254 42.059 0.310 0.000 0.903 451 L HN 0.383 nan 8.230 nan 0.000 0.435 452 L N -1.059 120.224 121.223 0.100 0.000 2.042 452 L HA -0.183 4.195 4.340 0.062 0.000 0.210 452 L C 2.535 179.392 176.870 -0.021 0.000 1.076 452 L CA 1.481 56.338 54.840 0.029 0.000 0.749 452 L CB -1.423 40.625 42.059 -0.019 0.000 0.893 452 L HN 0.410 nan 8.230 nan 0.000 0.432 453 G N -0.071 108.728 108.800 -0.001 0.000 2.440 453 G HA2 -0.252 3.745 3.960 0.062 0.000 0.218 453 G HA3 -0.252 3.745 3.960 0.062 0.000 0.218 453 G C 1.651 176.536 174.900 -0.025 0.000 1.154 453 G CA 0.659 45.742 45.100 -0.028 0.000 0.767 453 G HN 0.242 nan 8.290 nan 0.000 0.552 454 L N -0.094 121.144 121.223 0.025 0.000 2.017 454 L HA 0.002 4.380 4.340 0.062 0.000 0.208 454 L C 2.953 179.830 176.870 0.012 0.000 1.073 454 L CA 1.110 55.975 54.840 0.041 0.000 0.745 454 L CB -0.229 41.892 42.059 0.103 0.000 0.894 454 L HN 0.243 nan 8.230 nan 0.000 0.432 455 L N -0.637 120.580 121.223 -0.010 0.000 2.056 455 L HA -0.182 4.196 4.340 0.062 0.000 0.207 455 L C 2.871 179.672 176.870 -0.115 0.000 1.078 455 L CA 1.062 55.852 54.840 -0.083 0.000 0.749 455 L CB -0.877 41.046 42.059 -0.226 0.000 0.901 455 L HN 0.286 nan 8.230 nan 0.000 0.433 456 A N 0.618 123.362 122.820 -0.126 0.000 1.903 456 A HA -0.290 4.067 4.320 0.062 0.000 0.219 456 A C 2.303 179.821 177.584 -0.110 0.000 1.191 456 A CA 2.227 54.176 52.037 -0.146 0.000 0.638 456 A CB -0.499 18.380 19.000 -0.201 0.000 0.823 456 A HN 0.363 nan 8.150 nan 0.000 0.451 457 K N -0.571 119.779 120.400 -0.084 0.000 2.283 457 K HA 0.083 4.440 4.320 0.062 0.000 0.202 457 K C 2.093 178.696 176.600 0.005 0.000 1.048 457 K CA 0.806 57.072 56.287 -0.036 0.000 0.948 457 K CB -0.217 32.273 32.500 -0.016 0.000 0.742 457 K HN 0.488 nan 8.250 nan 0.000 0.458 458 A N 0.135 122.950 122.820 -0.009 0.000 1.930 458 A HA 0.106 4.463 4.320 0.062 0.000 0.215 458 A C 1.714 179.300 177.584 0.003 0.000 1.176 458 A CA 1.531 53.569 52.037 0.003 0.000 0.632 458 A CB -0.117 18.886 19.000 0.005 0.000 0.819 458 A HN 0.400 nan 8.150 nan 0.000 0.445 459 G N -2.686 106.105 108.800 -0.014 0.000 2.425 459 G HA2 -0.026 3.971 3.960 0.062 0.000 0.177 459 G HA3 -0.026 3.971 3.960 0.062 0.000 0.177 459 G C -0.115 174.770 174.900 -0.025 0.000 0.999 459 G CA -0.152 44.947 45.100 -0.001 0.000 0.723 459 G HN 0.269 nan 8.290 nan 0.000 0.491 460 L N 1.585 122.756 121.223 -0.086 0.000 2.490 460 L HA 0.300 4.678 4.340 0.062 0.000 0.274 460 L C 1.240 178.045 176.870 -0.108 0.000 1.201 460 L CA 0.734 55.481 54.840 -0.155 0.000 0.869 460 L CB 0.738 42.564 42.059 -0.388 0.000 1.123 460 L HN 0.249 nan 8.230 nan 0.000 0.484 461 Q N 2.809 122.586 119.800 -0.039 0.000 3.247 461 Q HA 0.077 4.455 4.340 0.062 0.000 0.326 461 Q C 1.222 177.271 176.000 0.082 0.000 1.402 461 Q CA -0.343 55.481 55.803 0.035 0.000 0.994 461 Q CB 0.327 29.138 28.738 0.122 0.000 1.647 461 Q HN 0.669 nan 8.270 nan 0.000 0.523 462 V N -0.007 119.916 119.914 0.014 0.000 2.248 462 V HA -0.313 3.844 4.120 0.062 0.000 0.254 462 V C 1.203 177.408 176.094 0.185 0.000 1.050 462 V CA 2.278 64.678 62.300 0.168 0.000 1.063 462 V CB -1.077 30.790 31.823 0.073 0.000 0.688 462 V HN 0.543 nan 8.190 nan 0.000 0.474 463 V N -3.404 116.535 119.914 0.041 0.000 3.158 463 V HA 1.028 5.186 4.120 0.062 0.000 0.315 463 V C -0.427 175.534 176.094 -0.222 0.000 1.148 463 V CA -0.242 62.037 62.300 -0.036 0.000 1.042 463 V CB 1.582 33.388 31.823 -0.028 0.000 1.101 463 V HN 1.035 nan 8.190 nan 0.000 0.448 464 A N 1.192 123.777 122.820 -0.392 0.000 2.515 464 A HA 0.833 5.191 4.320 0.062 0.000 0.299 464 A C -1.603 175.777 177.584 -0.339 0.000 1.179 464 A CA -0.830 50.883 52.037 -0.540 0.000 0.656 464 A CB 1.207 19.455 19.000 -1.253 0.000 1.306 464 A HN 1.060 nan 8.150 nan 0.000 0.459 465 L N 1.252 122.340 121.223 -0.225 0.000 2.294 465 L HA 0.600 4.978 4.340 0.062 0.000 0.283 465 L C 0.895 177.793 176.870 0.047 0.000 1.015 465 L CA -0.195 54.630 54.840 -0.024 0.000 0.831 465 L CB 1.588 43.715 42.059 0.113 0.000 1.217 465 L HN 0.938 nan 8.230 nan 0.000 0.420 466 S N 2.998 118.718 115.700 0.032 0.000 3.900 466 S HA 0.560 5.067 4.470 0.062 0.000 0.248 466 S C 0.520 175.130 174.600 0.016 0.000 1.310 466 S CA -0.053 58.173 58.200 0.043 0.000 0.915 466 S CB -0.337 62.886 63.200 0.038 0.000 1.588 466 S HN 0.741 nan 8.310 nan 0.000 0.472 467 G N -0.092 108.697 108.800 -0.019 0.000 2.690 467 G HA2 0.730 4.727 3.960 0.062 0.000 0.291 467 G HA3 0.730 4.727 3.960 0.062 0.000 0.291 467 G C -1.064 173.547 174.900 -0.481 0.000 1.403 467 G CA -0.042 44.869 45.100 -0.315 0.000 0.864 467 G HN 1.045 nan 8.290 nan 0.000 0.480 468 A N 0.653 123.112 122.820 -0.601 0.000 2.322 468 A HA 0.781 5.139 4.320 0.062 0.000 0.327 468 A C -1.168 176.145 177.584 -0.451 0.000 1.394 468 A CA -0.482 51.333 52.037 -0.369 0.000 0.921 468 A CB -0.105 18.782 19.000 -0.189 0.000 1.153 468 A HN 0.558 nan 8.150 nan 0.000 0.523 469 Y N 2.307 122.636 120.300 0.049 0.000 2.549 469 Y HA 0.528 5.116 4.550 0.062 0.000 0.339 469 Y C -1.036 174.885 175.900 0.035 0.000 1.053 469 Y CA -1.842 56.285 58.100 0.046 0.000 1.105 469 Y CB 1.633 40.119 38.460 0.043 0.000 1.258 469 Y HN 0.554 nan 8.280 nan 0.000 0.478 470 P HA 0.131 nan 4.420 nan 0.000 0.226 470 P C -0.342 177.019 177.300 0.101 0.000 1.161 470 P CA 0.572 63.739 63.100 0.112 0.000 0.804 470 P CB 0.519 32.267 31.700 0.080 0.000 0.829 471 A N 0.697 123.586 122.820 0.116 0.000 2.287 471 A HA 0.341 4.698 4.320 0.062 0.000 0.317 471 A C 0.757 178.402 177.584 0.102 0.000 1.220 471 A CA -0.565 51.520 52.037 0.080 0.000 0.835 471 A CB 0.859 19.892 19.000 0.055 0.000 1.180 471 A HN -0.018 nan 8.150 nan 0.000 0.500 472 E N 1.199 121.455 120.200 0.093 0.000 2.481 472 E HA 0.088 4.475 4.350 0.062 0.000 0.195 472 E C -0.474 176.257 176.600 0.218 0.000 1.047 472 E CA 0.293 56.807 56.400 0.190 0.000 0.867 472 E CB 0.141 29.982 29.700 0.235 0.000 0.858 472 E HN 0.451 nan 8.360 nan 0.000 0.513 473 L N 0.016 121.290 121.223 0.086 0.000 2.493 473 L HA 0.545 4.922 4.340 0.062 0.000 0.265 473 L C -1.963 174.942 176.870 0.058 0.000 0.954 473 L CA -0.710 54.189 54.840 0.098 0.000 0.844 473 L CB 2.054 44.133 42.059 0.032 0.000 1.302 473 L HN -0.140 nan 8.230 nan 0.000 0.405 474 A N 4.684 127.537 122.820 0.055 0.000 2.335 474 A HA 0.767 5.124 4.320 0.062 0.000 0.304 474 A C -1.016 176.582 177.584 0.023 0.000 1.118 474 A CA -0.159 51.899 52.037 0.034 0.000 0.757 474 A CB 1.420 20.422 19.000 0.003 0.000 1.188 474 A HN 1.424 nan 8.150 nan 0.000 0.460 475 V N 0.824 120.745 119.914 0.012 0.000 2.581 475 V HA 0.970 5.127 4.120 0.062 0.000 0.303 475 V C 0.260 176.261 176.094 -0.156 0.000 1.041 475 V CA 0.013 62.251 62.300 -0.104 0.000 0.907 475 V CB 1.473 33.173 31.823 -0.204 0.000 0.994 475 V HN 1.257 nan 8.190 nan 0.000 0.442 476 G N 3.263 111.927 108.800 -0.226 0.000 2.371 476 G HA2 0.696 4.694 3.960 0.062 0.000 0.326 476 G HA3 0.696 4.694 3.960 0.062 0.000 0.326 476 G C -1.415 173.285 174.900 -0.333 0.000 1.127 476 G CA -0.548 44.469 45.100 -0.139 0.000 0.885 476 G HN 0.649 nan 8.290 nan 0.000 0.477 477 F N 1.057 121.080 119.950 0.122 0.000 2.493 477 F HA 0.433 4.997 4.527 0.062 0.000 0.329 477 F C 0.140 175.997 175.800 0.094 0.000 1.126 477 F CA -0.776 57.304 58.000 0.134 0.000 0.937 477 F CB 2.583 41.727 39.000 0.239 0.000 1.146 477 F HN 0.314 nan 8.300 nan 0.000 0.442 478 D N 1.046 121.572 120.400 0.210 0.000 2.727 478 D HA 0.845 5.522 4.640 0.062 0.000 0.264 478 D C -1.435 174.944 176.300 0.132 0.000 1.101 478 D CA -0.593 53.489 54.000 0.135 0.000 1.122 478 D CB 2.587 43.422 40.800 0.059 0.000 1.390 478 D HN 0.591 nan 8.370 nan 0.000 0.606 479 A N -0.661 122.212 122.820 0.088 0.000 2.520 479 A HA 0.682 5.040 4.320 0.062 0.000 0.298 479 A C -0.218 177.399 177.584 0.056 0.000 1.051 479 A CA 0.148 52.236 52.037 0.084 0.000 0.690 479 A CB 1.402 20.446 19.000 0.073 0.000 1.281 479 A HN 0.943 nan 8.150 nan 0.000 0.402 480 G N -0.159 108.687 108.800 0.078 0.000 2.850 480 G HA2 0.354 4.352 3.960 0.062 0.000 0.686 480 G HA3 0.354 4.352 3.960 0.062 0.000 0.686 480 G C 0.586 175.506 174.900 0.032 0.000 1.164 480 G CA 0.067 45.191 45.100 0.040 0.000 0.826 480 G HN 2.188 nan 8.290 nan 0.000 0.586 481 G N 0.209 109.036 108.800 0.045 0.000 3.441 481 G HA2 0.759 4.757 3.960 0.062 0.000 0.263 481 G HA3 0.759 4.757 3.960 0.062 0.000 0.263 481 G C 0.662 175.524 174.900 -0.063 0.000 1.014 481 G CA 1.737 46.844 45.100 0.012 0.000 0.833 481 G HN 1.557 nan 8.290 nan 0.000 0.514 482 R N 0.523 120.933 120.500 -0.150 0.000 3.361 482 R HA 0.769 5.147 4.340 0.062 0.000 0.188 482 R C 1.033 177.168 176.300 -0.275 0.000 1.441 482 R CA 0.503 56.450 56.100 -0.255 0.000 0.810 482 R CB -0.292 29.731 30.300 -0.463 0.000 1.658 482 R HN 0.210 nan 8.270 nan 0.000 0.483 483 E N -0.885 119.085 120.200 -0.383 0.000 3.388 483 E HA 0.265 4.652 4.350 0.062 0.000 0.390 483 E C 2.092 178.524 176.600 -0.281 0.000 0.432 483 E CA 0.687 56.922 56.400 -0.275 0.000 2.109 483 E CB -0.853 28.720 29.700 -0.212 0.000 2.195 483 E HN 0.645 nan 8.360 nan 0.000 0.488 484 S N 0.613 116.186 115.700 -0.213 0.000 2.383 484 S HA 0.004 4.512 4.470 0.062 0.000 0.229 484 S C 1.076 175.682 174.600 0.008 0.000 1.030 484 S CA 1.736 59.916 58.200 -0.033 0.000 1.002 484 S CB -0.864 62.411 63.200 0.125 0.000 0.829 484 S HN 0.387 nan 8.310 nan 0.000 0.467 485 F N -1.067 118.814 119.950 -0.115 0.000 2.598 485 F HA 0.924 5.489 4.527 0.062 0.000 0.327 485 F C -0.156 175.507 175.800 -0.228 0.000 1.057 485 F CA -1.681 56.218 58.000 -0.169 0.000 0.957 485 F CB 1.302 40.177 39.000 -0.209 0.000 1.278 485 F HN -0.233 nan 8.300 nan 0.000 0.484 486 R N 0.467 120.862 120.500 -0.175 0.000 2.930 486 R HA 0.541 4.919 4.340 0.062 0.000 0.257 486 R C -1.983 174.133 176.300 -0.306 0.000 1.107 486 R CA -1.226 54.731 56.100 -0.239 0.000 0.999 486 R CB 1.538 31.782 30.300 -0.092 0.000 1.209 486 R HN 0.710 nan 8.270 nan 0.000 0.486 487 F N -0.424 119.559 119.950 0.054 0.000 2.444 487 F HA 0.464 5.028 4.527 0.062 0.000 0.342 487 F C 1.084 176.916 175.800 0.052 0.000 1.121 487 F CA -0.604 57.439 58.000 0.071 0.000 0.997 487 F CB 1.955 40.993 39.000 0.063 0.000 1.130 487 F HN 0.529 nan 8.300 nan 0.000 0.454 488 G N 1.543 110.484 108.800 0.234 0.000 2.320 488 G HA2 0.542 4.539 3.960 0.062 0.000 0.300 488 G HA3 0.542 4.539 3.960 0.062 0.000 0.300 488 G C -0.234 174.786 174.900 0.200 0.000 1.126 488 G CA -0.386 44.824 45.100 0.183 0.000 0.896 488 G HN 0.944 nan 8.290 nan 0.000 0.436 489 G N -0.294 108.611 108.800 0.175 0.000 2.733 489 G HA2 0.911 4.909 3.960 0.062 0.000 0.288 489 G HA3 0.911 4.909 3.960 0.062 0.000 0.288 489 G C -1.145 173.820 174.900 0.109 0.000 1.373 489 G CA -0.146 45.035 45.100 0.135 0.000 0.895 489 G HN 1.309 nan 8.290 nan 0.000 0.479 490 A N -1.220 121.623 122.820 0.039 0.000 2.539 490 A HA 0.994 5.352 4.320 0.062 0.000 0.296 490 A C -0.480 177.080 177.584 -0.039 0.000 1.073 490 A CA -0.027 51.932 52.037 -0.130 0.000 0.700 490 A CB 1.686 20.492 19.000 -0.324 0.000 1.296 490 A HN 2.247 nan 8.150 nan 0.000 0.405 491 A N 0.053 122.828 122.820 -0.075 0.000 2.435 491 A HA 0.703 5.061 4.320 0.062 0.000 0.304 491 A C -0.639 176.954 177.584 0.015 0.000 1.064 491 A CA -0.413 51.663 52.037 0.063 0.000 0.727 491 A CB 1.002 20.094 19.000 0.154 0.000 1.284 491 A HN 1.224 nan 8.150 nan 0.000 0.415 492 C N 0.724 120.066 119.300 0.070 0.000 2.399 492 C HA 0.903 5.401 4.460 0.062 0.000 0.348 492 C C 0.611 175.652 174.990 0.085 0.000 1.183 492 C CA 0.231 59.284 59.018 0.058 0.000 2.023 492 C CB 1.227 29.008 27.740 0.069 0.000 2.361 492 C HN 1.147 nan 8.230 nan 0.000 0.521 493 A N 1.878 124.746 122.820 0.079 0.000 2.357 493 A HA 0.610 4.967 4.320 0.062 0.000 0.295 493 A C -0.824 176.834 177.584 0.123 0.000 1.121 493 A CA -0.232 51.856 52.037 0.085 0.000 0.742 493 A CB 0.694 19.721 19.000 0.045 0.000 1.181 493 A HN 0.706 nan 8.150 nan 0.000 0.454 494 V N 3.981 123.995 119.914 0.166 0.000 2.223 494 V HA 0.351 4.508 4.120 0.062 0.000 0.249 494 V C 1.328 177.554 176.094 0.220 0.000 1.233 494 V CA 0.503 62.948 62.300 0.242 0.000 1.131 494 V CB -0.405 31.555 31.823 0.229 0.000 1.298 494 V HN 0.992 nan 8.190 nan 0.000 0.498 495 G N 2.349 111.294 108.800 0.241 0.000 2.516 495 G HA2 0.451 4.448 3.960 0.062 0.000 0.276 495 G HA3 0.451 4.448 3.960 0.062 0.000 0.276 495 G C 0.993 176.008 174.900 0.192 0.000 1.390 495 G CA -0.053 45.144 45.100 0.162 0.000 1.050 495 G HN 1.384 nan 8.290 nan 0.000 0.519 496 G N -1.484 107.449 108.800 0.223 0.000 2.395 496 G HA2 0.216 4.213 3.960 0.062 0.000 0.300 496 G HA3 0.216 4.213 3.960 0.062 0.000 0.300 496 G C 0.604 175.614 174.900 0.184 0.000 0.998 496 G CA 1.329 46.627 45.100 0.330 0.000 1.046 496 G HN 2.137 nan 8.290 nan 0.000 0.513 500 H N 0.673 119.759 119.070 0.027 0.000 2.502 500 H HA 0.548 5.143 4.556 0.064 0.000 0.327 500 H C -0.486 174.855 175.328 0.021 0.000 1.099 500 H CA -0.206 55.855 56.048 0.022 0.000 1.323 500 H CB 1.965 31.733 29.762 0.010 0.000 1.450 500 H HN 0.122 nan 8.280 nan 0.000 0.502 501 L N 4.432 125.735 121.223 0.133 0.000 2.276 501 L HA 0.267 4.644 4.340 0.062 0.000 0.286 501 L C -0.449 176.496 176.870 0.124 0.000 1.061 501 L CA -0.643 54.264 54.840 0.110 0.000 0.807 501 L CB 0.640 42.739 42.059 0.067 0.000 1.177 501 L HN 0.374 nan 8.230 nan 0.000 0.429 502 L N 0.680 121.979 121.223 0.126 0.000 2.479 502 L HA 0.723 5.101 4.340 0.062 0.000 0.255 502 L C -0.988 175.986 176.870 0.173 0.000 1.026 502 L CA -0.827 54.070 54.840 0.094 0.000 0.842 502 L CB 1.367 43.399 42.059 -0.045 0.000 1.444 502 L HN 0.608 nan 8.230 nan 0.000 0.409 503 W N -0.292 121.090 121.300 0.135 0.000 2.804 503 W HA 0.901 5.597 4.660 0.061 0.000 0.352 503 W C -1.044 175.540 176.519 0.107 0.000 1.153 503 W CA -0.266 57.168 57.345 0.148 0.000 1.119 503 W CB 0.890 30.523 29.460 0.288 0.000 1.448 503 W HN 0.892 nan 8.180 nan 0.000 0.600 504 T N -1.054 113.719 114.554 0.365 0.000 2.893 504 T HA 0.444 4.831 4.350 0.062 0.000 0.291 504 T C -0.562 174.409 174.700 0.450 0.000 1.028 504 T CA -0.912 61.287 62.100 0.164 0.000 0.995 504 T CB 1.952 70.870 68.868 0.083 0.000 1.051 504 T HN 0.581 nan 8.240 nan 0.000 0.470 505 L N 3.239 124.643 121.223 0.302 0.000 2.559 505 L HA 0.212 4.590 4.340 0.062 0.000 0.274 505 L C -1.888 175.104 176.870 0.204 0.000 1.205 505 L CA -1.117 53.921 54.840 0.331 0.000 0.907 505 L CB 0.554 42.720 42.059 0.178 0.000 1.153 505 L HN 0.619 nan 8.230 nan 0.000 0.490 506 P HA 0.173 nan 4.420 nan 0.000 0.277 506 P C -1.201 176.211 177.300 0.186 0.000 1.276 506 P CA -0.336 62.846 63.100 0.137 0.000 0.788 506 P CB 0.615 32.336 31.700 0.036 0.000 1.114 507 E N -0.610 119.759 120.200 0.283 0.000 2.275 507 E HA 0.591 4.978 4.350 0.062 0.000 0.270 507 E C -1.396 175.433 176.600 0.381 0.000 0.882 507 E CA -0.915 55.660 56.400 0.293 0.000 0.758 507 E CB 1.213 31.006 29.700 0.155 0.000 1.195 507 E HN 0.416 nan 8.360 nan 0.000 0.419 508 A N 4.438 127.452 122.820 0.323 0.000 2.488 508 A HA 0.482 4.839 4.320 0.062 0.000 0.249 508 A C -0.305 177.260 177.584 -0.031 0.000 1.083 508 A CA 0.159 52.172 52.037 -0.041 0.000 0.768 508 A CB 0.013 18.943 19.000 -0.116 0.000 1.017 508 A HN 0.631 nan 8.150 nan 0.000 0.496 509 Q N 0.913 120.676 119.800 -0.062 0.000 2.501 509 Q HA 0.717 5.095 4.340 0.062 0.000 0.288 509 Q C 0.264 176.263 176.000 -0.001 0.000 1.051 509 Q CA -0.455 55.338 55.803 -0.016 0.000 0.788 509 Q CB 1.640 30.383 28.738 0.008 0.000 1.469 509 Q HN 0.646 nan 8.270 nan 0.000 0.416 510 A N 0.985 123.806 122.820 0.003 0.000 1.873 510 A HA 0.275 4.632 4.320 0.062 0.000 0.215 510 A C 0.961 178.550 177.584 0.008 0.000 1.186 510 A CA 1.891 53.937 52.037 0.014 0.000 0.616 510 A CB -0.800 18.201 19.000 0.002 0.000 0.823 510 A HN 0.837 nan 8.150 nan 0.000 0.442 511 G N -1.845 106.953 108.800 -0.003 0.000 3.253 511 G HA2 0.398 4.396 3.960 0.062 0.000 0.175 511 G HA3 0.398 4.396 3.960 0.062 0.000 0.175 511 G C 0.436 175.331 174.900 -0.008 0.000 1.098 511 G CA 0.732 45.826 45.100 -0.011 0.000 0.790 511 G HN 0.173 nan 8.290 nan 0.000 0.648 512 E N 0.043 120.241 120.200 -0.003 0.000 2.166 512 E HA 0.046 4.433 4.350 0.062 0.000 0.192 512 E C 1.421 178.032 176.600 0.018 0.000 0.967 512 E CA 0.010 56.415 56.400 0.008 0.000 0.840 512 E CB -0.052 29.651 29.700 0.005 0.000 0.795 512 E HN 0.365 nan 8.360 nan 0.000 0.470 513 R N 1.440 121.946 120.500 0.010 0.000 2.446 513 R HA 0.099 4.477 4.340 0.062 0.000 0.314 513 R C -0.530 175.769 176.300 -0.002 0.000 1.003 513 R CA 0.007 56.111 56.100 0.007 0.000 1.018 513 R CB -0.121 30.178 30.300 -0.001 0.000 0.945 513 R HN 0.172 nan 8.270 nan 0.000 0.419 514 I N 8.116 128.680 120.570 -0.010 0.000 2.416 514 I HA 0.186 4.393 4.170 0.062 0.000 0.288 514 I C -1.769 174.307 176.117 -0.069 0.000 1.051 514 I CA -2.385 58.899 61.300 -0.026 0.000 1.375 514 I CB 1.075 39.054 38.000 -0.034 0.000 1.407 514 I HN 0.499 nan 8.210 nan 0.000 0.516 515 P HA -0.069 nan 4.420 nan 0.000 0.264 515 P C 0.395 177.645 177.300 -0.083 0.000 1.183 515 P CA 0.186 63.258 63.100 -0.048 0.000 0.763 515 P CB 0.563 32.249 31.700 -0.022 0.000 0.807 516 Q N 2.700 122.451 119.800 -0.081 0.000 2.096 516 Q HA -0.275 4.103 4.340 0.062 0.000 0.208 516 Q C 1.835 177.793 176.000 -0.069 0.000 0.993 516 Q CA 2.011 57.750 55.803 -0.107 0.000 0.862 516 Q CB -0.035 28.660 28.738 -0.071 0.000 0.915 516 Q HN 0.574 nan 8.270 nan 0.000 0.416 517 E N -0.924 119.270 120.200 -0.011 0.000 2.152 517 E HA -0.122 4.266 4.350 0.062 0.000 0.192 517 E C 1.942 178.573 176.600 0.052 0.000 0.983 517 E CA 1.289 57.727 56.400 0.063 0.000 0.818 517 E CB -0.196 29.540 29.700 0.059 0.000 0.758 517 E HN 0.233 nan 8.360 nan 0.000 0.467 518 V N 1.786 121.699 119.914 -0.003 0.000 2.407 518 V HA -0.211 3.946 4.120 0.062 0.000 0.248 518 V C 2.585 178.661 176.094 -0.030 0.000 1.055 518 V CA 1.287 63.583 62.300 -0.007 0.000 1.049 518 V CB -0.212 31.615 31.823 0.007 0.000 0.662 518 V HN 0.134 nan 8.190 nan 0.000 0.455 519 V N -0.310 119.527 119.914 -0.129 0.000 2.255 519 V HA -0.321 3.836 4.120 0.062 0.000 0.247 519 V C 2.117 178.159 176.094 -0.086 0.000 1.051 519 V CA 2.662 64.787 62.300 -0.292 0.000 1.018 519 V CB -0.743 30.583 31.823 -0.827 0.000 0.641 519 V HN 0.826 nan 8.190 nan 0.000 0.445 520 W N 1.078 122.266 121.300 -0.187 0.000 2.355 520 W HA -0.209 4.488 4.660 0.061 0.000 0.309 520 W C 2.142 178.659 176.519 -0.003 0.000 1.206 520 W CA 1.873 59.168 57.345 -0.083 0.000 1.284 520 W CB -0.312 29.098 29.460 -0.084 0.000 1.145 520 W HN 0.332 nan 8.180 nan 0.000 0.502 521 D N 1.147 121.335 120.400 -0.353 0.000 2.116 521 D HA -0.222 4.456 4.640 0.062 0.000 0.193 521 D C 2.319 178.428 176.300 -0.318 0.000 0.998 521 D CA 2.144 55.892 54.000 -0.421 0.000 0.836 521 D CB -0.844 39.861 40.800 -0.157 0.000 0.951 521 D HN 0.218 nan 8.370 nan 0.000 0.449 522 L N -0.061 121.094 121.223 -0.113 0.000 2.046 522 L HA -0.166 4.211 4.340 0.062 0.000 0.208 522 L C 2.400 179.258 176.870 -0.020 0.000 1.077 522 L CA 0.462 55.302 54.840 -0.001 0.000 0.747 522 L CB -0.409 41.750 42.059 0.167 0.000 0.896 522 L HN 0.108 nan 8.230 nan 0.000 0.432 523 L N 0.254 121.490 121.223 0.022 0.000 2.012 523 L HA -0.254 4.124 4.340 0.062 0.000 0.210 523 L C 2.523 179.291 176.870 -0.170 0.000 1.073 523 L CA 1.946 56.831 54.840 0.075 0.000 0.748 523 L CB -0.693 41.521 42.059 0.259 0.000 0.891 523 L HN 0.341 nan 8.230 nan 0.000 0.431 524 E N -0.888 118.946 120.200 -0.610 0.000 2.051 524 E HA -0.251 4.137 4.350 0.062 0.000 0.192 524 E C 1.946 178.435 176.600 -0.184 0.000 0.991 524 E CA 1.281 57.328 56.400 -0.589 0.000 0.799 524 E CB -0.127 28.962 29.700 -1.017 0.000 0.748 524 E HN 0.540 nan 8.360 nan 0.000 0.449 525 E N -0.009 120.084 120.200 -0.179 0.000 2.118 525 E HA -0.169 4.218 4.350 0.062 0.000 0.195 525 E C 2.268 178.892 176.600 0.039 0.000 0.992 525 E CA 1.850 58.222 56.400 -0.046 0.000 0.804 525 E CB -0.306 29.351 29.700 -0.072 0.000 0.741 525 E HN 0.535 nan 8.360 nan 0.000 0.458 526 T N -1.028 113.534 114.554 0.012 0.000 2.904 526 T HA -0.034 4.353 4.350 0.062 0.000 0.267 526 T C 2.190 176.953 174.700 0.105 0.000 1.059 526 T CA 0.488 62.616 62.100 0.047 0.000 1.137 526 T CB -0.306 68.572 68.868 0.017 0.000 0.879 526 T HN 0.047 nan 8.240 nan 0.000 0.467 527 L N -1.039 120.252 121.223 0.112 0.000 2.027 527 L HA 0.053 4.430 4.340 0.062 0.000 0.206 527 L C 2.764 179.772 176.870 0.230 0.000 1.074 527 L CA 1.476 56.408 54.840 0.153 0.000 0.745 527 L CB -0.498 41.661 42.059 0.167 0.000 0.898 527 L HN 0.454 nan 8.230 nan 0.000 0.433 528 W N 0.672 121.988 121.300 0.027 0.000 2.388 528 W HA -0.217 4.481 4.660 0.063 0.000 0.294 528 W C 2.445 178.988 176.519 0.040 0.000 1.212 528 W CA 1.353 58.718 57.345 0.033 0.000 1.271 528 W CB 0.059 29.509 29.460 -0.016 0.000 1.126 528 W HN 0.210 nan 8.180 nan 0.000 0.535 529 A N 0.410 123.314 122.820 0.140 0.000 1.892 529 A HA -0.316 4.041 4.320 0.062 0.000 0.218 529 A C 1.823 179.392 177.584 -0.025 0.000 1.188 529 A CA 1.958 54.007 52.037 0.020 0.000 0.631 529 A CB -1.649 17.367 19.000 0.027 0.000 0.822 529 A HN 0.427 nan 8.150 nan 0.000 0.447 530 F N 0.274 120.171 119.950 -0.089 0.000 2.171 530 F HA -0.161 4.402 4.527 0.060 0.000 0.300 530 F C 2.440 178.143 175.800 -0.161 0.000 1.090 530 F CA 1.891 59.842 58.000 -0.082 0.000 1.293 530 F CB -0.097 38.891 39.000 -0.020 0.000 1.013 530 F HN 0.169 nan 8.300 nan 0.000 0.486 531 R N 1.205 121.696 120.500 -0.015 0.000 2.105 531 R HA -0.152 4.226 4.340 0.062 0.000 0.239 531 R C 2.118 178.192 176.300 -0.376 0.000 1.135 531 R CA 1.667 57.602 56.100 -0.275 0.000 0.967 531 R CB -0.467 29.377 30.300 -0.760 0.000 0.861 531 R HN 0.319 nan 8.270 nan 0.000 0.442 532 R N -0.133 120.135 120.500 -0.387 0.000 2.235 532 R HA 0.027 4.404 4.340 0.062 0.000 0.213 532 R C 1.535 177.681 176.300 -0.256 0.000 1.059 532 R CA 0.756 56.677 56.100 -0.298 0.000 0.997 532 R CB 0.164 30.324 30.300 -0.234 0.000 0.884 532 R HN 0.045 nan 8.270 nan 0.000 0.462 533 K N -1.073 119.143 120.400 -0.306 0.000 2.355 533 K HA 0.247 4.605 4.320 0.062 0.000 0.198 533 K C 0.917 177.339 176.600 -0.295 0.000 1.039 533 K CA 0.431 56.539 56.287 -0.298 0.000 1.075 533 K CB 1.676 33.952 32.500 -0.374 0.000 0.870 533 K HN 0.078 nan 8.250 nan 0.000 0.540 534 A N -0.085 122.508 122.820 -0.377 0.000 2.377 534 A HA 0.396 4.753 4.320 0.062 0.000 0.209 534 A C 1.087 178.560 177.584 -0.185 0.000 1.359 534 A CA 0.608 52.429 52.037 -0.360 0.000 1.026 534 A CB 0.421 18.963 19.000 -0.762 0.000 1.224 534 A HN 0.175 nan 8.150 nan 0.000 0.528 535 G N -0.150 108.548 108.800 -0.171 0.000 2.221 535 G HA2 -0.215 3.782 3.960 0.062 0.000 0.265 535 G HA3 -0.215 3.782 3.960 0.062 0.000 0.265 535 G C 0.032 174.901 174.900 -0.051 0.000 1.041 535 G CA 0.927 45.960 45.100 -0.111 0.000 0.807 535 G HN 1.124 nan 8.290 nan 0.000 0.502 536 R N -1.248 119.252 120.500 -0.000 0.000 2.907 536 R HA 0.437 4.814 4.340 0.062 0.000 0.246 536 R C -0.523 175.920 176.300 0.238 0.000 1.082 536 R CA -0.997 55.167 56.100 0.106 0.000 1.003 536 R CB 0.421 30.811 30.300 0.150 0.000 1.261 536 R HN 0.169 nan 8.270 nan 0.000 0.474 537 L N 4.092 125.403 121.223 0.147 0.000 2.466 537 L HA 0.509 4.887 4.340 0.062 0.000 0.257 537 L C -1.827 175.012 176.870 -0.051 0.000 1.189 537 L CA -2.011 52.889 54.840 0.100 0.000 0.813 537 L CB 0.660 42.761 42.059 0.070 0.000 1.118 537 L HN 0.545 nan 8.230 nan 0.000 0.471 538 P HA 0.078 nan 4.420 nan 0.000 0.274 538 P C -0.166 177.009 177.300 -0.208 0.000 1.246 538 P CA -0.365 62.331 63.100 -0.673 0.000 0.795 538 P CB 0.787 31.965 31.700 -0.869 0.000 1.006 539 S N 0.122 115.746 115.700 -0.126 0.000 2.497 539 S HA 0.193 4.701 4.470 0.062 0.000 0.218 539 S C 0.644 175.227 174.600 -0.029 0.000 1.023 539 S CA 0.035 58.212 58.200 -0.039 0.000 0.913 539 S CB 0.119 63.318 63.200 -0.001 0.000 0.800 539 S HN 0.385 nan 8.310 nan 0.000 0.505 540 R N 1.180 121.654 120.500 -0.044 0.000 2.522 540 R HA 0.535 4.913 4.340 0.062 0.000 0.283 540 R C -1.505 174.794 176.300 -0.001 0.000 1.074 540 R CA -0.527 55.573 56.100 -0.001 0.000 0.925 540 R CB 2.125 32.436 30.300 0.019 0.000 1.205 540 R HN 0.240 nan 8.270 nan 0.000 0.436 541 V N 1.832 121.780 119.914 0.058 0.000 2.732 541 V HA 0.651 4.809 4.120 0.062 0.000 0.310 541 V C -0.869 175.290 176.094 0.109 0.000 1.053 541 V CA -1.064 61.281 62.300 0.075 0.000 0.957 541 V CB 1.635 33.525 31.823 0.111 0.000 1.018 541 V HN 0.558 nan 8.190 nan 0.000 0.452 542 L N 4.408 125.682 121.223 0.084 0.000 2.287 542 L HA 0.649 5.026 4.340 0.062 0.000 0.287 542 L C -0.839 176.085 176.870 0.090 0.000 1.022 542 L CA -0.633 54.248 54.840 0.070 0.000 0.814 542 L CB 1.033 43.113 42.059 0.035 0.000 1.217 542 L HN 0.628 nan 8.230 nan 0.000 0.420 543 L N 6.641 127.911 121.223 0.079 0.000 2.287 543 L HA 0.519 4.896 4.340 0.062 0.000 0.287 543 L C -0.588 176.305 176.870 0.037 0.000 1.022 543 L CA -0.208 54.713 54.840 0.136 0.000 0.814 543 L CB 1.289 43.392 42.059 0.073 0.000 1.217 543 L HN 0.482 nan 8.230 nan 0.000 0.420 544 L N 4.288 125.597 121.223 0.143 0.000 2.319 544 L HA 0.560 4.937 4.340 0.062 0.000 0.281 544 L C 0.289 177.268 176.870 0.181 0.000 1.005 544 L CA -0.561 54.328 54.840 0.082 0.000 0.828 544 L CB 1.743 43.839 42.059 0.062 0.000 1.227 544 L HN 0.493 nan 8.230 nan 0.000 0.415 545 R N 1.179 121.718 120.500 0.065 0.000 2.486 545 R HA 0.220 4.598 4.340 0.062 0.000 0.286 545 R C -0.899 175.451 176.300 0.083 0.000 0.999 545 R CA -0.800 55.377 56.100 0.128 0.000 0.993 545 R CB 1.940 32.266 30.300 0.043 0.000 1.084 545 R HN 0.564 nan 8.270 nan 0.000 0.487 546 D N 1.081 121.548 120.400 0.111 0.000 2.343 546 D HA 0.293 4.970 4.640 0.062 0.000 0.255 546 D C 0.628 176.954 176.300 0.043 0.000 1.187 546 D CA 1.247 55.287 54.000 0.066 0.000 0.875 546 D CB 0.634 41.478 40.800 0.073 0.000 1.136 546 D HN 0.689 nan 8.370 nan 0.000 0.469 547 G N 2.188 110.996 108.800 0.013 0.000 2.645 547 G HA2 -0.015 3.983 3.960 0.062 0.000 0.246 547 G HA3 -0.015 3.983 3.960 0.062 0.000 0.246 547 G C 0.172 175.067 174.900 -0.008 0.000 1.322 547 G CA -0.185 44.914 45.100 -0.001 0.000 0.898 547 G HN 0.872 nan 8.290 nan 0.000 0.573 548 R N -1.016 119.478 120.500 -0.010 0.000 2.590 548 R HA 0.780 5.158 4.340 0.062 0.000 0.274 548 R C 0.882 177.184 176.300 0.003 0.000 1.061 548 R CA 0.969 57.061 56.100 -0.014 0.000 1.081 548 R CB -0.407 29.884 30.300 -0.016 0.000 0.984 548 R HN 2.431 nan 8.270 nan 0.000 0.448 549 V N 3.385 123.295 119.914 -0.006 0.000 2.408 549 V HA 0.480 4.638 4.120 0.062 0.000 0.267 549 V C -1.789 174.326 176.094 0.034 0.000 1.047 549 V CA -2.143 60.173 62.300 0.026 0.000 0.937 549 V CB 0.674 32.486 31.823 -0.019 0.000 0.999 549 V HN 0.858 nan 8.190 nan 0.000 0.472 550 P HA 0.405 nan 4.420 nan 0.000 0.265 550 P C 0.216 177.534 177.300 0.030 0.000 1.187 550 P CA 0.671 63.787 63.100 0.027 0.000 0.766 550 P CB 0.224 31.938 31.700 0.023 0.000 0.820 551 Q N 2.289 122.098 119.800 0.016 0.000 2.304 551 Q HA -0.022 4.356 4.340 0.062 0.000 0.315 551 Q C 0.839 176.851 176.000 0.020 0.000 1.075 551 Q CA 0.889 56.702 55.803 0.016 0.000 0.988 551 Q CB -0.954 27.788 28.738 0.007 0.000 1.146 551 Q HN 0.694 nan 8.270 nan 0.000 0.383 552 D N 0.381 120.799 120.400 0.030 0.000 3.046 552 D HA -0.239 4.438 4.640 0.062 0.000 0.210 552 D C 0.965 177.273 176.300 0.012 0.000 1.124 552 D CA 1.404 55.417 54.000 0.022 0.000 0.986 552 D CB -1.161 39.641 40.800 0.003 0.000 1.118 552 D HN 1.055 nan 8.370 nan 0.000 0.416 553 E N -0.127 120.093 120.200 0.033 0.000 2.418 553 E HA -0.072 4.316 4.350 0.062 0.000 0.197 553 E C 1.310 177.810 176.600 -0.167 0.000 1.026 553 E CA 0.725 57.101 56.400 -0.041 0.000 0.862 553 E CB -0.179 29.504 29.700 -0.028 0.000 0.799 553 E HN 0.305 nan 8.360 nan 0.000 0.518 554 F N 0.105 119.980 119.950 -0.124 0.000 2.653 554 F HA 0.499 5.064 4.527 0.064 0.000 0.304 554 F C 1.943 177.664 175.800 -0.133 0.000 1.092 554 F CA -0.049 57.858 58.000 -0.156 0.000 1.279 554 F CB 0.417 39.300 39.000 -0.196 0.000 1.044 554 F HN 0.140 nan 8.300 nan 0.000 0.564 555 A N 0.950 123.774 122.820 0.007 0.000 1.848 555 A HA -0.220 4.138 4.320 0.062 0.000 0.217 555 A C 2.307 179.848 177.584 -0.072 0.000 1.220 555 A CA 1.826 53.849 52.037 -0.024 0.000 0.645 555 A CB -1.030 17.952 19.000 -0.030 0.000 0.842 555 A HN 0.275 nan 8.150 nan 0.000 0.451 556 L N -1.117 120.045 121.223 -0.102 0.000 1.976 556 L HA -0.337 4.040 4.340 0.062 0.000 0.223 556 L C 3.170 179.898 176.870 -0.236 0.000 1.081 556 L CA 2.213 56.956 54.840 -0.161 0.000 0.784 556 L CB -1.275 40.713 42.059 -0.119 0.000 0.896 556 L HN 0.560 nan 8.230 nan 0.000 0.438 557 A N -0.195 122.554 122.820 -0.118 0.000 1.927 557 A HA -0.228 4.129 4.320 0.062 0.000 0.220 557 A C 2.219 179.730 177.584 -0.121 0.000 1.185 557 A CA 1.862 53.899 52.037 0.001 0.000 0.639 557 A CB -0.727 18.375 19.000 0.171 0.000 0.820 557 A HN 0.463 nan 8.150 nan 0.000 0.451 558 L N -1.338 119.802 121.223 -0.139 0.000 2.072 558 L HA -0.122 4.255 4.340 0.062 0.000 0.205 558 L C 2.722 179.569 176.870 -0.038 0.000 1.079 558 L CA 1.236 55.951 54.840 -0.209 0.000 0.752 558 L CB -0.708 41.182 42.059 -0.281 0.000 0.906 558 L HN 0.352 nan 8.230 nan 0.000 0.436 559 E N 0.685 120.833 120.200 -0.087 0.000 2.058 559 E HA -0.224 4.163 4.350 0.062 0.000 0.194 559 E C 2.264 178.760 176.600 -0.174 0.000 0.997 559 E CA 1.516 57.862 56.400 -0.090 0.000 0.801 559 E CB -0.085 29.548 29.700 -0.111 0.000 0.746 559 E HN 0.420 nan 8.360 nan 0.000 0.450 560 A N 1.205 123.795 122.820 -0.383 0.000 1.892 560 A HA -0.198 4.159 4.320 0.062 0.000 0.218 560 A C 2.433 179.793 177.584 -0.373 0.000 1.188 560 A CA 1.402 53.037 52.037 -0.671 0.000 0.631 560 A CB -0.793 17.170 19.000 -1.728 0.000 0.822 560 A HN 0.216 nan 8.150 nan 0.000 0.447 561 L N -1.035 120.098 121.223 -0.149 0.000 1.976 561 L HA -0.197 4.180 4.340 0.062 0.000 0.209 561 L C 3.174 180.120 176.870 0.125 0.000 1.071 561 L CA 1.171 56.082 54.840 0.118 0.000 0.746 561 L CB -0.712 41.534 42.059 0.312 0.000 0.890 561 L HN 0.447 nan 8.230 nan 0.000 0.432 562 A N 0.038 122.957 122.820 0.166 0.000 1.958 562 A HA -0.306 4.051 4.320 0.062 0.000 0.221 562 A C 2.310 179.915 177.584 0.035 0.000 1.178 562 A CA 2.218 54.317 52.037 0.103 0.000 0.642 562 A CB -0.608 18.461 19.000 0.116 0.000 0.816 562 A HN 0.329 nan 8.150 nan 0.000 0.453 563 R N -1.004 119.495 120.500 -0.001 0.000 2.075 563 R HA -0.006 4.372 4.340 0.062 0.000 0.232 563 R C 2.354 178.661 176.300 0.012 0.000 1.126 563 R CA 1.684 57.775 56.100 -0.015 0.000 0.963 563 R CB -0.417 29.847 30.300 -0.059 0.000 0.858 563 R HN 0.649 nan 8.270 nan 0.000 0.435 564 E N -0.193 120.025 120.200 0.031 0.000 2.502 564 E HA 0.125 4.513 4.350 0.062 0.000 0.194 564 E C 1.056 177.698 176.600 0.070 0.000 1.062 564 E CA 0.524 56.968 56.400 0.073 0.000 0.867 564 E CB -0.595 29.184 29.700 0.130 0.000 0.888 564 E HN 0.468 nan 8.360 nan 0.000 0.510 565 G N 0.279 109.111 108.800 0.053 0.000 2.249 565 G HA2 -0.177 3.820 3.960 0.062 0.000 0.273 565 G HA3 -0.177 3.820 3.960 0.062 0.000 0.273 565 G C 0.316 175.241 174.900 0.042 0.000 1.036 565 G CA 0.535 45.658 45.100 0.037 0.000 0.824 565 G HN 1.207 nan 8.290 nan 0.000 0.504 566 I N -0.071 120.542 120.570 0.072 0.000 2.354 566 I HA 0.856 5.064 4.170 0.062 0.000 0.292 566 I C 0.336 176.502 176.117 0.081 0.000 0.989 566 I CA -0.688 60.654 61.300 0.071 0.000 1.188 566 I CB 1.347 39.404 38.000 0.095 0.000 1.342 566 I HN 0.575 nan 8.210 nan 0.000 0.457 567 A N 6.820 129.648 122.820 0.014 0.000 2.257 567 A HA 0.780 5.137 4.320 0.062 0.000 0.289 567 A C -1.010 176.596 177.584 0.037 0.000 1.095 567 A CA -0.067 51.920 52.037 -0.083 0.000 0.836 567 A CB 0.355 19.289 19.000 -0.110 0.000 1.111 567 A HN 1.079 nan 8.150 nan 0.000 0.497 568 Y N -2.090 118.236 120.300 0.044 0.000 2.677 568 Y HA 0.668 5.255 4.550 0.061 0.000 0.334 568 Y C -1.692 174.230 175.900 0.036 0.000 1.196 568 Y CA -1.357 56.771 58.100 0.047 0.000 1.059 568 Y CB 0.987 39.489 38.460 0.069 0.000 1.315 568 Y HN 0.559 nan 8.280 nan 0.000 0.455 569 D N 1.870 122.450 120.400 0.300 0.000 2.819 569 D HA 0.480 5.158 4.640 0.062 0.000 0.232 569 D C -1.627 174.652 176.300 -0.035 0.000 1.160 569 D CA -0.518 53.563 54.000 0.136 0.000 0.858 569 D CB 2.773 43.549 40.800 -0.040 0.000 1.610 569 D HN 0.688 nan 8.370 nan 0.000 0.481 570 L N 2.199 123.317 121.223 -0.175 0.000 2.296 570 L HA 0.658 5.035 4.340 0.062 0.000 0.286 570 L C -1.420 175.266 176.870 -0.306 0.000 1.023 570 L CA -0.778 53.888 54.840 -0.290 0.000 0.812 570 L CB 1.352 43.200 42.059 -0.352 0.000 1.223 570 L HN 0.234 nan 8.230 nan 0.000 0.421 571 V N 3.233 123.003 119.914 -0.239 0.000 2.525 571 V HA 0.257 4.415 4.120 0.062 0.000 0.299 571 V C 0.175 176.194 176.094 -0.126 0.000 1.034 571 V CA -0.559 61.649 62.300 -0.152 0.000 0.863 571 V CB 1.937 33.717 31.823 -0.072 0.000 0.999 571 V HN 0.789 nan 8.190 nan 0.000 0.423 572 S N 3.442 119.077 115.700 -0.107 0.000 2.516 572 S HA 0.361 4.868 4.470 0.062 0.000 0.282 572 S C -0.111 174.442 174.600 -0.079 0.000 1.286 572 S CA -0.184 57.967 58.200 -0.083 0.000 1.066 572 S CB 0.681 63.839 63.200 -0.070 0.000 0.884 572 S HN 0.513 nan 8.310 nan 0.000 0.491 573 V N 6.450 126.329 119.914 -0.057 0.000 2.325 573 V HA 0.392 4.549 4.120 0.062 0.000 0.280 573 V C -0.165 175.899 176.094 -0.051 0.000 1.016 573 V CA -0.709 61.553 62.300 -0.062 0.000 0.818 573 V CB 1.061 32.865 31.823 -0.031 0.000 1.019 573 V HN 0.707 nan 8.190 nan 0.000 0.434 574 R N 3.271 123.726 120.500 -0.074 0.000 2.295 574 R HA 0.460 4.837 4.340 0.062 0.000 0.324 574 R C 0.737 177.005 176.300 -0.055 0.000 0.968 574 R CA -0.555 55.510 56.100 -0.058 0.000 0.837 574 R CB 1.846 32.106 30.300 -0.067 0.000 1.133 574 R HN 0.585 nan 8.270 nan 0.000 0.450 575 K N 1.532 121.912 120.400 -0.033 0.000 2.031 575 K HA 0.005 4.362 4.320 0.062 0.000 0.205 575 K C 1.215 177.798 176.600 -0.029 0.000 1.049 575 K CA 1.224 57.495 56.287 -0.027 0.000 0.939 575 K CB -0.021 32.473 32.500 -0.010 0.000 0.717 575 K HN 0.684 nan 8.250 nan 0.000 0.438 576 S N 0.067 115.751 115.700 -0.026 0.000 2.603 576 S HA 0.454 4.962 4.470 0.062 0.000 0.268 576 S C 1.154 175.731 174.600 -0.038 0.000 1.317 576 S CA -0.004 58.180 58.200 -0.026 0.000 1.012 576 S CB 0.262 63.451 63.200 -0.019 0.000 0.926 576 S HN 0.438 nan 8.310 nan 0.000 0.539 577 G N -0.102 108.677 108.800 -0.036 0.000 2.195 577 G HA2 -0.102 3.896 3.960 0.062 0.000 0.246 577 G HA3 -0.102 3.896 3.960 0.062 0.000 0.246 577 G C 1.320 176.189 174.900 -0.052 0.000 0.984 577 G CA 0.733 45.806 45.100 -0.044 0.000 0.633 577 G HN 1.784 nan 8.290 nan 0.000 0.525 578 G N 0.322 109.089 108.800 -0.056 0.000 2.498 578 G HA2 0.423 4.420 3.960 0.062 0.000 0.219 578 G HA3 0.423 4.420 3.960 0.062 0.000 0.219 578 G C 1.825 176.693 174.900 -0.053 0.000 1.119 578 G CA 1.734 46.795 45.100 -0.065 0.000 0.766 578 G HN 2.236 nan 8.290 nan 0.000 0.552 579 G N -0.661 108.116 108.800 -0.038 0.000 2.598 579 G HA2 -0.145 3.852 3.960 0.062 0.000 0.244 579 G HA3 -0.145 3.852 3.960 0.062 0.000 0.244 579 G C -0.369 174.491 174.900 -0.067 0.000 1.302 579 G CA -0.003 45.083 45.100 -0.023 0.000 0.903 579 G HN 0.659 nan 8.290 nan 0.000 0.575 580 R N -1.758 118.683 120.500 -0.099 0.000 2.778 580 R HA 0.775 5.152 4.340 0.062 0.000 0.277 580 R C -0.525 175.560 176.300 -0.357 0.000 0.977 580 R CA -0.535 55.401 56.100 -0.274 0.000 0.950 580 R CB 2.117 32.207 30.300 -0.350 0.000 1.165 580 R HN 0.755 nan 8.270 nan 0.000 0.474 581 V N 3.377 122.992 119.914 -0.497 0.000 2.531 581 V HA 0.486 4.643 4.120 0.062 0.000 0.301 581 V C -1.367 174.474 176.094 -0.422 0.000 1.034 581 V CA -0.736 61.365 62.300 -0.331 0.000 0.865 581 V CB 1.407 33.128 31.823 -0.170 0.000 0.995 581 V HN 0.596 nan 8.190 nan 0.000 0.424 582 Y N 5.468 125.846 120.300 0.132 0.000 2.485 582 Y HA 0.615 5.203 4.550 0.063 0.000 0.345 582 Y C -2.225 173.791 175.900 0.194 0.000 0.998 582 Y CA -2.995 55.226 58.100 0.202 0.000 1.059 582 Y CB 2.008 40.647 38.460 0.299 0.000 1.234 582 Y HN 0.403 nan 8.280 nan 0.000 0.461 583 P HA 0.074 nan 4.420 nan 0.000 0.275 583 P C 0.438 177.808 177.300 0.117 0.000 1.228 583 P CA -0.066 63.126 63.100 0.154 0.000 0.786 583 P CB 1.922 33.721 31.700 0.166 0.000 0.927 584 V N 0.889 120.703 119.914 -0.167 0.000 2.323 584 V HA -0.039 4.119 4.120 0.062 0.000 0.244 584 V C 1.380 177.457 176.094 -0.029 0.000 1.041 584 V CA 2.679 64.781 62.300 -0.331 0.000 1.025 584 V CB -1.161 30.346 31.823 -0.526 0.000 0.656 584 V HN 0.854 nan 8.190 nan 0.000 0.451 585 Q N -2.017 117.781 119.800 -0.004 0.000 2.426 585 Q HA 0.575 4.952 4.340 0.062 0.000 0.278 585 Q C -0.142 175.895 176.000 0.061 0.000 1.007 585 Q CA 0.340 56.178 55.803 0.059 0.000 0.850 585 Q CB 1.324 30.087 28.738 0.042 0.000 1.427 585 Q HN 1.417 nan 8.270 nan 0.000 0.391 586 G N 0.487 109.348 108.800 0.102 0.000 2.428 586 G HA2 0.107 4.104 3.960 0.062 0.000 0.202 586 G HA3 0.107 4.104 3.960 0.062 0.000 0.202 586 G C -0.886 174.101 174.900 0.145 0.000 1.247 586 G CA -0.251 44.907 45.100 0.098 0.000 1.020 586 G HN 0.993 nan 8.290 nan 0.000 0.529 587 R N -0.431 120.121 120.500 0.087 0.000 2.393 587 R HA 0.665 5.042 4.340 0.062 0.000 0.315 587 R C 0.673 176.953 176.300 -0.033 0.000 0.952 587 R CA -0.096 56.027 56.100 0.038 0.000 0.842 587 R CB 1.185 31.503 30.300 0.030 0.000 1.163 587 R HN 1.378 nan 8.270 nan 0.000 0.450 588 L N 1.804 122.973 121.223 -0.090 0.000 2.559 588 L HA 0.450 4.827 4.340 0.062 0.000 0.274 588 L C 0.625 177.429 176.870 -0.110 0.000 1.205 588 L CA 0.002 54.780 54.840 -0.103 0.000 0.907 588 L CB -0.641 41.330 42.059 -0.145 0.000 1.153 588 L HN 0.888 nan 8.230 nan 0.000 0.490 589 A N 2.624 125.397 122.820 -0.078 0.000 2.306 589 A HA 0.582 4.939 4.320 0.062 0.000 0.330 589 A C 0.303 177.837 177.584 -0.083 0.000 1.146 589 A CA -0.518 51.480 52.037 -0.065 0.000 0.827 589 A CB 0.357 19.335 19.000 -0.037 0.000 1.178 589 A HN 0.991 nan 8.150 nan 0.000 0.490 590 D N 0.753 121.113 120.400 -0.067 0.000 2.525 590 D HA 0.277 4.955 4.640 0.062 0.000 0.235 590 D C 1.304 177.488 176.300 -0.194 0.000 1.137 590 D CA 2.224 56.177 54.000 -0.078 0.000 0.868 590 D CB 0.420 41.224 40.800 0.006 0.000 1.180 590 D HN 1.355 nan 8.370 nan 0.000 0.465 591 G N 2.654 111.212 108.800 -0.403 0.000 2.225 591 G HA2 -0.254 3.744 3.960 0.062 0.000 0.264 591 G HA3 -0.254 3.744 3.960 0.062 0.000 0.264 591 G C 0.138 174.699 174.900 -0.566 0.000 1.060 591 G CA 0.275 44.738 45.100 -1.062 0.000 0.833 591 G HN 0.506 nan 8.290 nan 0.000 0.498 592 L N 0.379 121.441 121.223 -0.269 0.000 2.395 592 L HA 0.763 5.140 4.340 0.062 0.000 0.269 592 L C 0.002 176.888 176.870 0.026 0.000 1.133 592 L CA -1.443 53.345 54.840 -0.087 0.000 0.812 592 L CB 0.754 42.774 42.059 -0.065 0.000 1.125 592 L HN 0.380 nan 8.230 nan 0.000 0.452 593 Y N 4.725 125.016 120.300 -0.015 0.000 2.331 593 Y HA 0.681 5.267 4.550 0.059 0.000 0.334 593 Y C -1.518 174.425 175.900 0.072 0.000 0.960 593 Y CA -1.148 56.983 58.100 0.051 0.000 1.130 593 Y CB 1.453 39.936 38.460 0.039 0.000 1.164 593 Y HN 0.312 nan 8.280 nan 0.000 0.458 594 V N 8.755 128.517 119.914 -0.253 0.000 2.444 594 V HA 0.503 4.660 4.120 0.062 0.000 0.294 594 V C -2.487 173.372 176.094 -0.392 0.000 1.022 594 V CA -2.014 60.069 62.300 -0.360 0.000 0.850 594 V CB 1.526 33.277 31.823 -0.120 0.000 0.992 594 V HN 0.697 nan 8.190 nan 0.000 0.426 595 P HA 0.534 nan 4.420 nan 0.000 0.282 595 P C -0.363 176.888 177.300 -0.083 0.000 1.249 595 P CA -0.206 62.753 63.100 -0.236 0.000 0.806 595 P CB 1.517 33.019 31.700 -0.330 0.000 0.984 596 L N -0.007 121.227 121.223 0.017 0.000 2.777 596 L HA 0.515 4.892 4.340 0.062 0.000 0.218 596 L C 1.424 178.313 176.870 0.031 0.000 1.960 596 L CA -0.858 53.996 54.840 0.023 0.000 2.783 596 L CB -0.814 41.264 42.059 0.031 0.000 2.715 596 L HN 0.250 nan 8.230 nan 0.000 0.652 597 E N 0.879 121.102 120.200 0.038 0.000 2.461 597 E HA 0.013 4.401 4.350 0.062 0.000 0.263 597 E C -0.609 176.014 176.600 0.039 0.000 1.143 597 E CA 0.002 56.423 56.400 0.035 0.000 0.994 597 E CB -0.871 28.844 29.700 0.025 0.000 0.973 597 E HN 0.525 nan 8.360 nan 0.000 0.457 598 D N 0.503 120.920 120.400 0.028 0.000 2.730 598 D HA -0.039 4.639 4.640 0.062 0.000 0.225 598 D C 0.174 176.501 176.300 0.046 0.000 1.107 598 D CA 0.932 54.946 54.000 0.023 0.000 0.837 598 D CB 0.279 41.085 40.800 0.010 0.000 1.171 598 D HN 0.667 nan 8.370 nan 0.000 0.498 599 K N -1.585 118.850 120.400 0.058 0.000 3.472 599 K HA -0.219 4.138 4.320 0.062 0.000 0.315 599 K C 0.039 176.752 176.600 0.189 0.000 1.320 599 K CA 1.397 57.748 56.287 0.108 0.000 0.962 599 K CB -2.171 30.376 32.500 0.079 0.000 1.251 599 K HN 0.807 nan 8.250 nan 0.000 0.443 600 T N -0.189 114.482 114.554 0.196 0.000 3.032 600 T HA 0.649 5.037 4.350 0.062 0.000 0.312 600 T C -1.379 173.484 174.700 0.271 0.000 1.078 600 T CA -0.766 61.452 62.100 0.197 0.000 1.028 600 T CB 1.190 70.092 68.868 0.056 0.000 1.091 600 T HN 0.281 nan 8.240 nan 0.000 0.457 601 F N 2.799 122.779 119.950 0.048 0.000 2.668 601 F HA 0.840 5.405 4.527 0.063 0.000 0.309 601 F C -2.208 173.622 175.800 0.050 0.000 1.117 601 F CA -1.537 56.493 58.000 0.050 0.000 0.951 601 F CB 0.887 40.005 39.000 0.196 0.000 1.323 601 F HN 0.547 nan 8.300 nan 0.000 0.451 602 L N 1.865 123.117 121.223 0.047 0.000 2.332 602 L HA 0.710 5.087 4.340 0.062 0.000 0.269 602 L C -1.166 175.762 176.870 0.097 0.000 1.016 602 L CA -1.217 53.592 54.840 -0.052 0.000 0.809 602 L CB 1.851 43.886 42.059 -0.040 0.000 1.280 602 L HN 0.729 nan 8.230 nan 0.000 0.447 603 L N 2.363 123.595 121.223 0.015 0.000 2.514 603 L HA 0.445 4.822 4.340 0.062 0.000 0.257 603 L C -0.385 176.477 176.870 -0.013 0.000 1.101 603 L CA 0.049 54.931 54.840 0.069 0.000 0.911 603 L CB 1.209 43.332 42.059 0.105 0.000 1.162 603 L HN 0.462 nan 8.230 nan 0.000 0.477 604 L N 2.576 123.771 121.223 -0.047 0.000 2.433 604 L HA 0.673 5.050 4.340 0.062 0.000 0.284 604 L C 1.250 178.053 176.870 -0.112 0.000 1.120 604 L CA 0.687 55.478 54.840 -0.082 0.000 0.879 604 L CB -0.528 41.471 42.059 -0.100 0.000 1.232 604 L HN 0.844 nan 8.230 nan 0.000 0.454 605 T N 1.508 116.026 114.554 -0.060 0.000 3.144 605 T HA 0.639 5.026 4.350 0.062 0.000 0.249 605 T C 1.274 175.979 174.700 0.009 0.000 1.089 605 T CA 0.958 63.050 62.100 -0.013 0.000 0.989 605 T CB -1.369 67.570 68.868 0.117 0.000 0.992 605 T HN 2.541 nan 8.240 nan 0.000 0.540 613 T N 3.495 118.128 114.554 0.132 0.000 2.879 613 T HA 0.653 5.041 4.350 0.062 0.000 0.290 613 T C -2.625 172.086 174.700 0.019 0.000 0.993 613 T CA -0.642 61.525 62.100 0.112 0.000 0.975 613 T CB 2.558 71.540 68.868 0.190 0.000 0.981 613 T HN 0.406 nan 8.240 nan 0.000 0.439 614 P HA 0.417 nan 4.420 nan 0.000 0.272 614 P C -0.944 176.313 177.300 -0.071 0.000 1.240 614 P CA -0.689 62.372 63.100 -0.065 0.000 0.791 614 P CB 0.878 32.514 31.700 -0.108 0.000 0.978 615 R N 1.277 121.743 120.500 -0.057 0.000 2.435 615 R HA 0.405 4.782 4.340 0.062 0.000 0.308 615 R C -2.204 174.059 176.300 -0.061 0.000 0.975 615 R CA -1.699 54.366 56.100 -0.059 0.000 0.867 615 R CB 1.457 31.736 30.300 -0.034 0.000 1.171 615 R HN 0.430 nan 8.270 nan 0.000 0.470 616 P HA 0.056 nan 4.420 nan 0.000 0.272 616 P C -0.336 176.923 177.300 -0.069 0.000 1.230 616 P CA -0.317 62.741 63.100 -0.070 0.000 0.788 616 P CB 0.970 32.623 31.700 -0.079 0.000 0.949 617 L N 1.393 122.574 121.223 -0.069 0.000 2.410 617 L HA 0.196 4.574 4.340 0.062 0.000 0.273 617 L C 1.202 177.984 176.870 -0.147 0.000 1.152 617 L CA -0.154 54.631 54.840 -0.093 0.000 0.855 617 L CB 0.039 42.046 42.059 -0.087 0.000 1.129 617 L HN 0.408 nan 8.230 nan 0.000 0.463 618 K N 4.008 124.321 120.400 -0.145 0.000 2.276 618 K HA 0.514 4.871 4.320 0.062 0.000 0.285 618 K C -1.290 175.156 176.600 -0.256 0.000 1.062 618 K CA -0.554 55.620 56.287 -0.188 0.000 0.918 618 K CB 0.668 33.091 32.500 -0.128 0.000 1.055 618 K HN 0.364 nan 8.250 nan 0.000 0.477 619 L N 4.039 124.994 121.223 -0.446 0.000 2.362 619 L HA 0.485 4.862 4.340 0.062 0.000 0.271 619 L C -1.031 175.641 176.870 -0.330 0.000 1.002 619 L CA -0.937 53.606 54.840 -0.494 0.000 0.818 619 L CB 2.104 43.635 42.059 -0.880 0.000 1.298 619 L HN 0.266 nan 8.230 nan 0.000 0.420 620 V N 0.555 120.398 119.914 -0.119 0.000 2.483 620 V HA 0.268 4.426 4.120 0.062 0.000 0.297 620 V C -0.618 175.537 176.094 0.100 0.000 1.027 620 V CA -0.696 61.617 62.300 0.021 0.000 0.855 620 V CB 1.459 33.277 31.823 -0.009 0.000 0.995 620 V HN 0.703 nan 8.190 nan 0.000 0.424 621 H N 2.618 121.759 119.070 0.119 0.000 3.015 621 H HA 0.190 4.783 4.556 0.061 0.000 0.268 621 H C 0.853 176.208 175.328 0.045 0.000 1.113 621 H CA 0.158 56.266 56.048 0.100 0.000 1.479 621 H CB 0.844 30.679 29.762 0.122 0.000 1.493 621 H HN 0.749 nan 8.280 nan 0.000 0.486 622 E N 3.231 123.469 120.200 0.064 0.000 2.190 622 E HA 0.277 4.665 4.350 0.062 0.000 0.191 622 E C -0.552 176.121 176.600 0.122 0.000 0.978 622 E CA 0.672 57.107 56.400 0.058 0.000 0.839 622 E CB 0.643 30.314 29.700 -0.049 0.000 0.787 622 E HN 0.647 nan 8.360 nan 0.000 0.473 623 A N -0.859 122.050 122.820 0.149 0.000 2.589 623 A HA 0.708 5.065 4.320 0.062 0.000 0.296 623 A C -0.329 177.471 177.584 0.361 0.000 1.062 623 A CA -0.287 51.894 52.037 0.240 0.000 0.686 623 A CB 1.173 20.267 19.000 0.157 0.000 1.282 623 A HN 0.290 nan 8.150 nan 0.000 0.404 624 G N 0.850 109.902 108.800 0.419 0.000 2.570 624 G HA2 0.350 4.347 3.960 0.062 0.000 0.686 624 G HA3 0.350 4.347 3.960 0.062 0.000 0.686 624 G C -0.621 174.469 174.900 0.316 0.000 1.257 624 G CA 0.189 45.499 45.100 0.350 0.000 0.846 624 G HN 1.596 nan 8.290 nan 0.000 0.627 625 D N -0.590 119.878 120.400 0.114 0.000 2.593 625 D HA 0.229 4.906 4.640 0.062 0.000 0.241 625 D C 0.472 176.767 176.300 -0.007 0.000 1.257 625 D CA 0.110 54.108 54.000 -0.004 0.000 0.828 625 D CB 0.252 41.027 40.800 -0.042 0.000 1.049 625 D HN 0.413 nan 8.370 nan 0.000 0.490 626 T N 2.152 116.761 114.554 0.090 0.000 2.845 626 T HA 0.375 4.762 4.350 0.062 0.000 0.288 626 T C -2.466 172.227 174.700 -0.013 0.000 0.980 626 T CA -1.153 60.990 62.100 0.070 0.000 1.071 626 T CB 1.661 70.612 68.868 0.139 0.000 0.941 626 T HN -0.041 nan 8.240 nan 0.000 0.487 627 P HA 0.108 nan 4.420 nan 0.000 0.266 627 P C 0.721 177.942 177.300 -0.131 0.000 1.195 627 P CA -0.292 62.745 63.100 -0.105 0.000 0.768 627 P CB 0.500 32.145 31.700 -0.092 0.000 0.838 628 L N 2.928 124.040 121.223 -0.184 0.000 2.012 628 L HA -0.238 4.140 4.340 0.062 0.000 0.210 628 L C 2.046 178.578 176.870 -0.563 0.000 1.073 628 L CA 2.044 56.690 54.840 -0.325 0.000 0.748 628 L CB -0.974 40.909 42.059 -0.293 0.000 0.891 628 L HN 0.380 nan 8.230 nan 0.000 0.431 629 E N -0.450 119.457 120.200 -0.488 0.000 2.086 629 E HA -0.270 4.118 4.350 0.062 0.000 0.200 629 E C 2.252 178.596 176.600 -0.427 0.000 1.012 629 E CA 1.554 57.574 56.400 -0.634 0.000 0.812 629 E CB -0.645 28.866 29.700 -0.315 0.000 0.743 629 E HN 0.525 nan 8.360 nan 0.000 0.453 630 A N 0.215 122.887 122.820 -0.248 0.000 1.933 630 A HA -0.145 4.212 4.320 0.062 0.000 0.218 630 A C 2.188 179.742 177.584 -0.050 0.000 1.175 630 A CA 1.334 53.300 52.037 -0.118 0.000 0.628 630 A CB -0.613 18.343 19.000 -0.074 0.000 0.814 630 A HN 0.194 nan 8.150 nan 0.000 0.444 631 L N -0.757 120.405 121.223 -0.102 0.000 2.023 631 L HA -0.076 4.302 4.340 0.062 0.000 0.205 631 L C 3.049 179.900 176.870 -0.031 0.000 1.073 631 L CA 1.106 55.931 54.840 -0.026 0.000 0.745 631 L CB -0.715 41.369 42.059 0.041 0.000 0.900 631 L HN 0.348 nan 8.230 nan 0.000 0.435 632 A N -0.823 121.827 122.820 -0.284 0.000 1.971 632 A HA -0.340 4.017 4.320 0.062 0.000 0.222 632 A C 2.308 179.897 177.584 0.008 0.000 1.182 632 A CA 2.251 54.169 52.037 -0.197 0.000 0.649 632 A CB -1.123 17.322 19.000 -0.926 0.000 0.818 632 A HN 0.587 nan 8.150 nan 0.000 0.458 633 H N -1.005 117.971 119.070 -0.156 0.000 2.256 633 H HA -0.137 4.442 4.556 0.040 0.000 0.299 633 H C 2.343 177.637 175.328 -0.055 0.000 1.071 633 H CA 2.081 58.077 56.048 -0.087 0.000 1.280 633 H CB -0.148 29.516 29.762 -0.164 0.000 1.370 633 H HN 0.656 nan 8.280 nan 0.000 0.490 634 Q N 0.204 119.967 119.800 -0.062 0.000 2.014 634 Q HA -0.167 4.211 4.340 0.062 0.000 0.207 634 Q C 2.607 178.539 176.000 -0.113 0.000 0.993 634 Q CA 1.836 57.523 55.803 -0.193 0.000 0.850 634 Q CB 0.030 28.691 28.738 -0.128 0.000 0.916 634 Q HN 0.456 nan 8.270 nan 0.000 0.417 635 I N 0.365 120.940 120.570 0.009 0.000 2.093 635 I HA -0.348 3.859 4.170 0.062 0.000 0.239 635 I C 2.309 178.484 176.117 0.095 0.000 1.026 635 I CA 1.798 63.139 61.300 0.069 0.000 1.295 635 I CB -1.267 36.831 38.000 0.165 0.000 1.007 635 I HN 0.311 nan 8.210 nan 0.000 0.401 636 F N 1.563 121.524 119.950 0.018 0.000 2.126 636 F HA -0.221 4.328 4.527 0.037 0.000 0.299 636 F C 2.765 178.560 175.800 -0.009 0.000 1.096 636 F CA 1.791 59.802 58.000 0.018 0.000 1.255 636 F CB -0.822 38.215 39.000 0.062 0.000 0.997 636 F HN 0.174 nan 8.300 nan 0.000 0.479 637 H N -0.334 118.482 119.070 -0.422 0.000 2.389 637 H HA -0.070 4.509 4.556 0.039 0.000 0.299 637 H C 2.324 177.401 175.328 -0.419 0.000 1.081 637 H CA 1.384 57.114 56.048 -0.531 0.000 1.345 637 H CB -0.258 29.269 29.762 -0.391 0.000 1.393 637 H HN 0.279 nan 8.280 nan 0.000 0.520 638 L N 0.298 121.403 121.223 -0.196 0.000 2.450 638 L HA -0.139 4.239 4.340 0.062 0.000 0.224 638 L C 2.381 179.185 176.870 -0.110 0.000 1.149 638 L CA 0.569 55.313 54.840 -0.159 0.000 0.816 638 L CB -0.114 41.874 42.059 -0.117 0.000 0.932 638 L HN 0.228 nan 8.230 nan 0.000 0.449 639 T N -0.905 113.547 114.554 -0.170 0.000 2.904 639 T HA -0.116 4.271 4.350 0.062 0.000 0.267 639 T C 1.835 176.484 174.700 -0.085 0.000 1.059 639 T CA 0.996 63.021 62.100 -0.126 0.000 1.137 639 T CB 0.044 68.828 68.868 -0.141 0.000 0.879 639 T HN 0.171 nan 8.240 nan 0.000 0.467 640 R N 0.565 120.918 120.500 -0.245 0.000 2.299 640 R HA 0.328 4.705 4.340 0.062 0.000 0.197 640 R C 2.020 178.413 176.300 0.154 0.000 0.971 640 R CA 0.147 56.168 56.100 -0.131 0.000 1.030 640 R CB -0.466 29.501 30.300 -0.555 0.000 0.932 640 R HN 0.336 nan 8.270 nan 0.000 0.477 641 L N -0.749 120.506 121.223 0.053 0.000 2.109 641 L HA -0.044 4.334 4.340 0.062 0.000 0.207 641 L C 0.332 177.261 176.870 0.099 0.000 1.086 641 L CA 0.356 55.221 54.840 0.041 0.000 0.760 641 L CB -0.090 41.967 42.059 -0.003 0.000 0.910 641 L HN 0.198 nan 8.230 nan 0.000 0.437 642 Y N 2.912 123.239 120.300 0.046 0.000 2.804 642 Y HA -0.052 4.534 4.550 0.060 0.000 0.338 642 Y C -1.324 174.584 175.900 0.013 0.000 1.252 642 Y CA -1.618 56.514 58.100 0.052 0.000 1.576 642 Y CB 0.440 38.954 38.460 0.090 0.000 1.223 642 Y HN 0.055 nan 8.280 nan 0.000 0.536 643 P HA -0.043 nan 4.420 nan 0.000 0.225 643 P C 0.306 177.417 177.300 -0.315 0.000 1.156 643 P CA 1.463 64.375 63.100 -0.313 0.000 0.787 643 P CB 0.302 31.825 31.700 -0.295 0.000 0.802 644 A N 0.016 122.538 122.820 -0.496 0.000 2.465 644 A HA 0.222 4.580 4.320 0.062 0.000 0.255 644 A C 1.979 179.609 177.584 0.077 0.000 1.274 644 A CA 0.436 52.364 52.037 -0.182 0.000 0.920 644 A CB -0.571 18.319 19.000 -0.184 0.000 1.033 644 A HN 0.275 nan 8.150 nan 0.000 0.516 645 S N -1.769 114.018 115.700 0.144 0.000 2.439 645 S HA 0.328 4.836 4.470 0.062 0.000 0.224 645 S C 1.850 176.382 174.600 -0.113 0.000 1.029 645 S CA 1.328 59.587 58.200 0.099 0.000 0.946 645 S CB -0.321 62.927 63.200 0.081 0.000 0.797 645 S HN 1.709 nan 8.310 nan 0.000 0.504 646 G N 1.542 110.175 108.800 -0.278 0.000 4.236 646 G HA2 -0.372 3.625 3.960 0.062 0.000 0.222 646 G HA3 -0.372 3.625 3.960 0.062 0.000 0.222 646 G C 0.690 175.099 174.900 -0.817 0.000 1.354 646 G CA 0.958 45.715 45.100 -0.572 0.000 0.966 646 G HN 0.618 nan 8.290 nan 0.000 0.624 647 F N 1.538 121.370 119.950 -0.197 0.000 2.619 647 F HA 0.735 5.298 4.527 0.061 0.000 0.281 647 F C 1.871 177.514 175.800 -0.262 0.000 1.065 647 F CA 0.526 58.414 58.000 -0.186 0.000 1.304 647 F CB -0.125 38.826 39.000 -0.082 0.000 1.059 647 F HN 0.536 nan 8.300 nan 0.000 0.648 648 A N 0.171 122.947 122.820 -0.074 0.000 2.252 648 A HA 0.629 4.986 4.320 0.062 0.000 0.305 648 A C -1.300 176.079 177.584 -0.341 0.000 1.097 648 A CA -0.171 51.806 52.037 -0.100 0.000 0.849 648 A CB 0.060 19.060 19.000 0.001 0.000 1.142 648 A HN 0.123 nan 8.150 nan 0.000 0.499 649 F N 0.937 120.894 119.950 0.012 0.000 2.493 649 F HA 0.452 5.024 4.527 0.075 0.000 0.329 649 F C -1.739 174.006 175.800 -0.091 0.000 1.126 649 F CA -1.693 56.290 58.000 -0.028 0.000 0.937 649 F CB 1.920 40.903 39.000 -0.029 0.000 1.146 649 F HN 0.389 nan 8.300 nan 0.000 0.442 650 P HA 0.142 nan 4.420 nan 0.000 0.269 650 P C 0.458 177.659 177.300 -0.165 0.000 1.215 650 P CA -0.343 62.579 63.100 -0.297 0.000 0.780 650 P CB 1.165 32.292 31.700 -0.956 0.000 0.898 651 R N 0.459 120.873 120.500 -0.143 0.000 2.115 651 R HA -0.077 4.300 4.340 0.062 0.000 0.230 651 R C 0.482 176.753 176.300 -0.049 0.000 1.111 651 R CA 1.094 57.163 56.100 -0.051 0.000 0.976 651 R CB -0.320 29.960 30.300 -0.033 0.000 0.870 651 R HN 0.435 nan 8.270 nan 0.000 0.445 652 L N -1.082 120.073 121.223 -0.113 0.000 2.319 652 L HA 0.599 4.976 4.340 0.062 0.000 0.267 652 L C -2.537 174.291 176.870 -0.069 0.000 1.011 652 L CA -3.421 51.384 54.840 -0.059 0.000 0.818 652 L CB 0.236 42.283 42.059 -0.020 0.000 1.316 652 L HN -0.189 nan 8.230 nan 0.000 0.432 653 P HA -0.058 nan 4.420 nan 0.000 0.264 653 P C 0.602 177.930 177.300 0.046 0.000 1.183 653 P CA 0.423 63.526 63.100 0.005 0.000 0.763 653 P CB 0.667 32.375 31.700 0.014 0.000 0.807 654 A N 6.101 128.967 122.820 0.077 0.000 1.929 654 A HA -0.207 4.151 4.320 0.062 0.000 0.221 654 A C -0.433 177.273 177.584 0.204 0.000 1.211 654 A CA 2.234 54.389 52.037 0.197 0.000 0.657 654 A CB -2.542 16.566 19.000 0.181 0.000 0.827 654 A HN 0.449 nan 8.150 nan 0.000 0.462 655 P HA -0.162 nan 4.420 nan 0.000 0.213 655 P C 1.696 179.057 177.300 0.101 0.000 1.170 655 P CA 0.992 64.151 63.100 0.097 0.000 0.902 655 P CB -0.204 31.520 31.700 0.039 0.000 0.789 656 L N -1.921 119.353 121.223 0.085 0.000 2.013 656 L HA -0.267 4.111 4.340 0.062 0.000 0.212 656 L C 2.643 179.584 176.870 0.118 0.000 1.073 656 L CA 1.820 56.710 54.840 0.083 0.000 0.753 656 L CB -1.028 41.073 42.059 0.071 0.000 0.890 656 L HN 0.094 nan 8.230 nan 0.000 0.432 657 H N 0.048 119.120 119.070 0.004 0.000 2.319 657 H HA -0.191 4.404 4.556 0.064 0.000 0.297 657 H C 2.160 177.515 175.328 0.045 0.000 1.097 657 H CA 1.851 57.873 56.048 -0.044 0.000 1.285 657 H CB -0.231 29.423 29.762 -0.181 0.000 1.368 657 H HN 0.152 nan 8.280 nan 0.000 0.495 658 L N -0.632 120.737 121.223 0.242 0.000 2.017 658 L HA -0.201 4.176 4.340 0.062 0.000 0.208 658 L C 2.866 179.739 176.870 0.005 0.000 1.073 658 L CA 1.221 56.229 54.840 0.280 0.000 0.745 658 L CB -0.740 41.549 42.059 0.383 0.000 0.894 658 L HN 0.363 nan 8.230 nan 0.000 0.432 659 A N -0.418 122.398 122.820 -0.007 0.000 1.892 659 A HA -0.309 4.048 4.320 0.062 0.000 0.218 659 A C 2.095 179.602 177.584 -0.128 0.000 1.188 659 A CA 2.261 54.248 52.037 -0.084 0.000 0.631 659 A CB -0.710 18.280 19.000 -0.018 0.000 0.822 659 A HN 0.419 nan 8.150 nan 0.000 0.447 660 D N -1.075 119.276 120.400 -0.082 0.000 2.117 660 D HA -0.127 4.550 4.640 0.062 0.000 0.197 660 D C 2.206 178.406 176.300 -0.168 0.000 0.987 660 D CA 1.100 55.045 54.000 -0.092 0.000 0.829 660 D CB -0.057 40.709 40.800 -0.056 0.000 0.961 660 D HN 0.208 nan 8.370 nan 0.000 0.460 661 R N 0.079 120.441 120.500 -0.229 0.000 2.062 661 R HA 0.013 4.391 4.340 0.062 0.000 0.229 661 R C 2.190 178.205 176.300 -0.474 0.000 1.128 661 R CA 0.413 56.380 56.100 -0.222 0.000 0.960 661 R CB -1.064 29.219 30.300 -0.029 0.000 0.855 661 R HN 0.221 nan 8.270 nan 0.000 0.432 662 L N -0.063 120.525 121.223 -1.059 0.000 1.943 662 L HA -0.157 4.221 4.340 0.062 0.000 0.215 662 L C 1.949 178.435 176.870 -0.639 0.000 1.074 662 L CA 1.783 55.661 54.840 -1.603 0.000 0.759 662 L CB -1.005 40.023 42.059 -1.719 0.000 0.888 662 L HN -0.000 nan 8.230 nan 0.000 0.433 663 V N 0.167 119.851 119.914 -0.384 0.000 2.277 663 V HA -0.420 3.737 4.120 0.062 0.000 0.253 663 V C 2.785 178.832 176.094 -0.078 0.000 1.067 663 V CA 2.474 64.688 62.300 -0.142 0.000 1.047 663 V CB -0.711 31.083 31.823 -0.048 0.000 0.649 663 V HN 0.533 nan 8.190 nan 0.000 0.447 664 K N -0.868 119.471 120.400 -0.102 0.000 2.020 664 K HA -0.234 4.123 4.320 0.062 0.000 0.212 664 K C 2.234 178.825 176.600 -0.016 0.000 1.050 664 K CA 1.795 58.055 56.287 -0.045 0.000 0.929 664 K CB -0.255 32.221 32.500 -0.041 0.000 0.714 664 K HN 0.440 nan 8.250 nan 0.000 0.443 665 E N 0.421 120.590 120.200 -0.052 0.000 2.106 665 E HA -0.126 4.261 4.350 0.062 0.000 0.192 665 E C 2.146 178.780 176.600 0.055 0.000 0.984 665 E CA 0.768 57.188 56.400 0.034 0.000 0.806 665 E CB -0.073 29.659 29.700 0.053 0.000 0.750 665 E HN 0.069 nan 8.360 nan 0.000 0.458 666 V N 0.752 120.646 119.914 -0.034 0.000 2.261 666 V HA -0.209 3.948 4.120 0.062 0.000 0.246 666 V C 2.478 178.560 176.094 -0.021 0.000 1.047 666 V CA 2.035 64.266 62.300 -0.114 0.000 1.015 666 V CB -1.186 30.407 31.823 -0.384 0.000 0.642 666 V HN 0.330 nan 8.190 nan 0.000 0.446 667 G N -0.419 108.462 108.800 0.135 0.000 2.475 667 G HA2 -0.354 3.644 3.960 0.062 0.000 0.220 667 G HA3 -0.354 3.644 3.960 0.062 0.000 0.220 667 G C 1.728 176.717 174.900 0.148 0.000 1.125 667 G CA 1.235 46.514 45.100 0.299 0.000 0.755 667 G HN 0.473 nan 8.290 nan 0.000 0.565 668 R N -0.070 120.488 120.500 0.096 0.000 2.090 668 R HA 0.060 4.437 4.340 0.062 0.000 0.228 668 R C 1.597 177.965 176.300 0.114 0.000 1.110 668 R CA 1.371 57.517 56.100 0.078 0.000 0.973 668 R CB -0.094 30.269 30.300 0.104 0.000 0.869 668 R HN 0.453 nan 8.270 nan 0.000 0.440 669 L N -3.226 118.080 121.223 0.137 0.000 3.298 669 L HA 0.594 4.971 4.340 0.062 0.000 0.296 669 L C 0.011 177.040 176.870 0.265 0.000 1.237 669 L CA 0.171 55.107 54.840 0.160 0.000 1.038 669 L CB 0.791 42.905 42.059 0.092 0.000 1.423 669 L HN 0.161 nan 8.230 nan 0.000 0.605 670 G N 0.302 109.227 108.800 0.209 0.000 2.650 670 G HA2 -0.169 3.829 3.960 0.062 0.000 0.686 670 G HA3 -0.169 3.829 3.960 0.062 0.000 0.686 670 G C 0.016 174.919 174.900 0.006 0.000 1.205 670 G CA -0.175 45.025 45.100 0.167 0.000 0.781 670 G HN 0.284 nan 8.290 nan 0.000 0.648 671 I N 0.783 121.294 120.570 -0.097 0.000 2.716 671 I HA 0.053 4.260 4.170 0.062 0.000 0.259 671 I C 2.720 178.744 176.117 -0.154 0.000 1.172 671 I CA 1.196 62.376 61.300 -0.199 0.000 1.478 671 I CB -0.196 37.671 38.000 -0.222 0.000 1.104 671 I HN 0.692 nan 8.210 nan 0.000 0.439 672 R N -0.055 120.301 120.500 -0.241 0.000 2.193 672 R HA -0.187 4.191 4.340 0.062 0.000 0.229 672 R C 1.380 177.485 176.300 -0.325 0.000 1.110 672 R CA 1.492 57.414 56.100 -0.297 0.000 0.988 672 R CB -0.978 29.120 30.300 -0.335 0.000 0.871 672 R HN 0.517 nan 8.270 nan 0.000 0.458 673 H N 0.871 119.908 119.070 -0.055 0.000 2.535 673 H HA 0.112 4.705 4.556 0.062 0.000 0.273 673 H C 2.066 177.325 175.328 -0.115 0.000 0.983 673 H CA 0.649 56.651 56.048 -0.078 0.000 1.238 673 H CB 0.153 29.861 29.762 -0.091 0.000 1.412 673 H HN 0.221 nan 8.280 nan 0.000 0.562 674 L N 0.925 122.122 121.223 -0.044 0.000 2.376 674 L HA -0.100 4.277 4.340 0.062 0.000 0.219 674 L C 2.935 179.832 176.870 0.045 0.000 1.133 674 L CA 0.929 55.734 54.840 -0.058 0.000 0.816 674 L CB -0.646 41.398 42.059 -0.025 0.000 0.933 674 L HN 0.246 nan 8.230 nan 0.000 0.449 675 K N 1.071 121.484 120.400 0.022 0.000 2.034 675 K HA -0.239 4.118 4.320 0.062 0.000 0.214 675 K C 1.894 178.514 176.600 0.034 0.000 1.051 675 K CA 2.197 58.501 56.287 0.029 0.000 0.931 675 K CB -1.484 31.019 32.500 0.006 0.000 0.715 675 K HN 0.543 nan 8.250 nan 0.000 0.446 676 E N 0.211 120.424 120.200 0.022 0.000 2.368 676 E HA 0.450 4.837 4.350 0.062 0.000 0.188 676 E C 0.058 176.677 176.600 0.032 0.000 1.061 676 E CA 0.240 56.651 56.400 0.019 0.000 0.933 676 E CB -0.274 29.429 29.700 0.006 0.000 1.091 676 E HN 0.382 nan 8.360 nan 0.000 0.458 677 V N 2.406 122.362 119.914 0.070 0.000 2.333 677 V HA 0.171 4.328 4.120 0.062 0.000 0.274 677 V C -0.195 176.012 176.094 0.188 0.000 1.028 677 V CA -1.266 61.109 62.300 0.125 0.000 0.851 677 V CB 1.237 33.116 31.823 0.093 0.000 1.000 677 V HN 0.399 nan 8.190 nan 0.000 0.456 678 D N 4.828 125.299 120.400 0.119 0.000 2.533 678 D HA -0.009 4.668 4.640 0.062 0.000 0.236 678 D C 1.218 177.563 176.300 0.074 0.000 1.137 678 D CA 0.201 54.231 54.000 0.050 0.000 0.867 678 D CB 0.825 41.649 40.800 0.040 0.000 1.170 678 D HN 0.622 nan 8.370 nan 0.000 0.474 679 R N 1.106 121.462 120.500 -0.241 0.000 2.449 679 R HA 0.121 4.499 4.340 0.062 0.000 0.262 679 R C 0.947 177.004 176.300 -0.404 0.000 1.006 679 R CA -0.088 55.556 56.100 -0.759 0.000 1.104 679 R CB -0.316 28.974 30.300 -1.683 0.000 1.206 679 R HN 0.371 nan 8.270 nan 0.000 0.538 680 E N 1.826 121.976 120.200 -0.084 0.000 2.400 680 E HA 0.061 4.448 4.350 0.062 0.000 0.195 680 E C 0.080 176.746 176.600 0.110 0.000 1.012 680 E CA 0.316 56.717 56.400 0.002 0.000 0.875 680 E CB 0.126 29.822 29.700 -0.007 0.000 0.859 680 E HN 0.445 nan 8.360 nan 0.000 0.498 681 K N 0.766 121.295 120.400 0.216 0.000 2.253 681 K HA 0.470 4.828 4.320 0.062 0.000 0.277 681 K C -0.439 176.356 176.600 0.324 0.000 1.053 681 K CA -0.373 56.048 56.287 0.224 0.000 0.892 681 K CB 1.359 33.984 32.500 0.208 0.000 1.102 681 K HN 0.207 nan 8.250 nan 0.000 0.469 682 L N 5.836 127.044 121.223 -0.025 0.000 2.384 682 L HA 0.137 4.514 4.340 0.062 0.000 0.258 682 L C 0.836 177.226 176.870 -0.799 0.000 1.266 682 L CA -0.425 54.073 54.840 -0.571 0.000 1.162 682 L CB -0.883 40.822 42.059 -0.590 0.000 1.375 682 L HN 0.706 nan 8.230 nan 0.000 0.420 683 F N -0.015 119.595 119.950 -0.566 0.000 2.546 683 F HA -0.073 4.493 4.527 0.063 0.000 0.298 683 F C 1.510 177.157 175.800 -0.256 0.000 1.120 683 F CA 0.200 58.027 58.000 -0.288 0.000 1.456 683 F CB -0.795 38.131 39.000 -0.124 0.000 1.088 683 F HN 0.278 nan 8.300 nan 0.000 0.572 684 F N 0.292 119.802 119.950 -0.734 0.000 2.731 684 F HA 0.400 4.964 4.527 0.061 0.000 0.298 684 F C 1.022 176.678 175.800 -0.241 0.000 1.106 684 F CA -1.037 56.640 58.000 -0.538 0.000 1.329 684 F CB -1.566 36.936 39.000 -0.831 0.000 1.100 684 F HN -0.056 nan 8.300 nan 0.000 0.592 685 V N 0.000 119.743 119.914 -0.285 0.000 2.409 685 V HA 0.000 4.157 4.120 0.062 0.000 0.244 685 V CA 0.000 62.266 62.300 -0.056 0.000 1.235 685 V CB 0.000 31.729 31.823 -0.157 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556