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 1v54_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.814 175.800 0.023 0.000 0.967 2 F CA 0.000 58.047 58.000 0.078 0.000 1.383 2 F CB 0.000 39.053 39.000 0.088 0.000 1.145 3 I N 1.491 122.085 120.570 0.039 0.000 2.252 3 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 3 I C 1.598 177.366 176.117 -0.582 0.000 1.102 3 I CA 1.583 62.724 61.300 -0.265 0.000 1.385 3 I CB -0.481 37.327 38.000 -0.320 0.000 1.064 3 I HN 0.254 nan 8.210 nan 0.000 0.414 4 N N 0.717 119.163 118.700 -0.424 0.000 2.166 4 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 4 N C 1.866 177.221 175.510 -0.259 0.000 1.019 4 N CA 1.156 54.033 53.050 -0.288 0.000 0.856 4 N CB -0.361 38.067 38.487 -0.098 0.000 0.993 4 N HN 0.315 nan 8.380 nan 0.000 0.426 5 R N -0.935 119.327 120.500 -0.397 0.000 2.075 5 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 5 R C 1.207 176.986 176.300 -0.869 0.000 1.114 5 R CA 1.088 56.793 56.100 -0.658 0.000 0.972 5 R CB -0.095 29.692 30.300 -0.855 0.000 0.869 5 R HN 0.255 nan 8.270 nan 0.000 0.437 6 W N -0.901 120.183 121.300 -0.359 0.000 2.996 6 W HA 0.185 4.845 4.660 -0.000 0.000 0.270 6 W C 1.099 177.625 176.519 0.013 0.000 1.280 6 W CA -0.520 56.657 57.345 -0.281 0.000 1.549 6 W CB 0.439 29.544 29.460 -0.592 0.000 1.079 6 W HN 0.078 nan 8.180 nan 0.000 0.629 7 L N -1.774 119.481 121.223 0.054 0.000 2.537 7 L HA 0.206 4.546 4.340 -0.000 0.000 0.224 7 L C 0.808 177.896 176.870 0.363 0.000 1.065 7 L CA 0.890 55.796 54.840 0.109 0.000 0.860 7 L CB -0.369 41.528 42.059 -0.270 0.000 1.086 7 L HN -0.171 nan 8.230 nan 0.000 0.482 8 F N -1.131 118.828 119.950 0.015 0.000 2.708 8 F HA 0.392 4.919 4.527 -0.000 0.000 0.300 8 F C 1.241 177.034 175.800 -0.012 0.000 1.118 8 F CA -1.139 56.859 58.000 -0.004 0.000 1.307 8 F CB -0.978 37.998 39.000 -0.039 0.000 0.986 8 F HN -0.197 nan 8.300 nan 0.000 0.522 9 S N 0.997 116.788 115.700 0.151 0.000 2.563 9 S HA 0.183 4.653 4.470 -0.000 0.000 0.284 9 S C 1.086 175.699 174.600 0.023 0.000 1.331 9 S CA 0.761 58.963 58.200 0.002 0.000 1.047 9 S CB 0.348 63.480 63.200 -0.114 0.000 0.859 9 S HN 0.486 nan 8.310 nan 0.000 0.514 10 T N 1.137 115.674 114.554 -0.028 0.000 3.460 10 T HA 0.301 4.651 4.350 -0.000 0.000 0.304 10 T C -0.306 174.328 174.700 -0.110 0.000 0.991 10 T CA -0.708 61.375 62.100 -0.028 0.000 0.975 10 T CB -0.468 68.407 68.868 0.012 0.000 1.196 10 T HN 0.532 nan 8.240 nan 0.000 0.490 11 N N 1.450 120.013 118.700 -0.229 0.000 2.392 11 N HA 0.168 4.908 4.740 -0.000 0.000 0.283 11 N C 1.015 176.265 175.510 -0.434 0.000 1.003 11 N CA -0.269 52.511 53.050 -0.449 0.000 0.892 11 N CB 1.542 39.521 38.487 -0.846 0.000 1.193 11 N HN 0.573 nan 8.380 nan 0.000 0.487 12 H N 3.271 122.088 119.070 -0.423 0.000 2.421 12 H HA -0.010 4.546 4.556 -0.000 0.000 0.298 12 H C 1.037 176.000 175.328 -0.608 0.000 1.087 12 H CA 1.442 57.248 56.048 -0.402 0.000 1.330 12 H CB 0.335 29.906 29.762 -0.318 0.000 1.388 12 H HN 0.493 nan 8.280 nan 0.000 0.526 13 K N 0.322 119.811 120.400 -1.518 0.000 2.007 13 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 13 K C 1.730 177.619 176.600 -1.185 0.000 1.047 13 K CA 1.359 56.503 56.287 -1.905 0.000 0.937 13 K CB 0.018 31.369 32.500 -1.915 0.000 0.718 13 K HN 0.268 nan 8.250 nan 0.000 0.438 14 D N 1.179 121.130 120.400 -0.748 0.000 2.123 14 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 14 D C 1.885 178.039 176.300 -0.242 0.000 0.992 14 D CA 1.044 54.823 54.000 -0.368 0.000 0.833 14 D CB -0.208 40.225 40.800 -0.611 0.000 0.954 14 D HN 0.154 nan 8.370 nan 0.000 0.455 15 I N 0.655 121.023 120.570 -0.336 0.000 2.286 15 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 15 I C 2.470 178.506 176.117 -0.135 0.000 1.115 15 I CA 1.218 62.368 61.300 -0.251 0.000 1.392 15 I CB -0.369 37.549 38.000 -0.137 0.000 1.065 15 I HN 0.024 nan 8.210 nan 0.000 0.418 16 G N 0.043 108.723 108.800 -0.200 0.000 2.422 16 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 16 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 16 G C 1.654 176.595 174.900 0.070 0.000 1.146 16 G CA 1.274 46.349 45.100 -0.042 0.000 0.769 16 G HN 0.271 nan 8.290 nan 0.000 0.547 17 T N 1.355 115.920 114.554 0.019 0.000 2.777 17 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 17 T C 2.434 177.127 174.700 -0.012 0.000 1.040 17 T CA 0.798 62.986 62.100 0.146 0.000 1.141 17 T CB -0.199 68.815 68.868 0.243 0.000 0.868 17 T HN 0.151 nan 8.240 nan 0.000 0.444 18 L N -0.477 120.613 121.223 -0.222 0.000 2.012 18 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 18 L C 2.409 178.998 176.870 -0.469 0.000 1.073 18 L CA 1.625 56.092 54.840 -0.623 0.000 0.748 18 L CB -0.644 40.535 42.059 -1.466 0.000 0.891 18 L HN 0.261 nan 8.230 nan 0.000 0.431 19 Y N -0.044 120.060 120.300 -0.327 0.000 2.181 19 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 19 Y C 2.440 178.462 175.900 0.203 0.000 1.146 19 Y CA 1.406 59.567 58.100 0.102 0.000 1.164 19 Y CB -0.381 38.147 38.460 0.113 0.000 0.982 19 Y HN 0.053 nan 8.280 nan 0.000 0.515 20 L N -0.948 120.431 121.223 0.260 0.000 2.046 20 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 20 L C 2.251 179.264 176.870 0.237 0.000 1.077 20 L CA 1.141 56.105 54.840 0.207 0.000 0.747 20 L CB -0.689 41.450 42.059 0.133 0.000 0.896 20 L HN 0.268 nan 8.230 nan 0.000 0.432 21 L N -1.336 120.010 121.223 0.204 0.000 2.027 21 L HA -0.243 4.097 4.340 -0.000 0.000 0.206 21 L C 2.557 179.603 176.870 0.294 0.000 1.074 21 L CA 1.342 56.300 54.840 0.197 0.000 0.745 21 L CB -0.525 41.590 42.059 0.095 0.000 0.898 21 L HN 0.166 nan 8.230 nan 0.000 0.433 22 F N 0.811 120.894 119.950 0.222 0.000 2.102 22 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 22 F C 2.230 178.261 175.800 0.384 0.000 1.105 22 F CA 1.706 59.896 58.000 0.316 0.000 1.239 22 F CB -0.522 38.711 39.000 0.389 0.000 0.991 22 F HN -0.011 nan 8.300 nan 0.000 0.474 23 G N -0.450 108.675 108.800 0.542 0.000 2.432 23 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 23 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 23 G C 1.761 176.794 174.900 0.222 0.000 1.135 23 G CA 0.705 46.037 45.100 0.387 0.000 0.767 23 G HN 0.615 nan 8.290 nan 0.000 0.550 24 A N -0.050 122.889 122.820 0.198 0.000 1.898 24 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 24 A C 2.138 179.802 177.584 0.134 0.000 1.181 24 A CA 1.497 53.603 52.037 0.115 0.000 0.620 24 A CB -0.715 18.342 19.000 0.095 0.000 0.819 24 A HN 0.512 nan 8.150 nan 0.000 0.442 25 W N 0.585 121.884 121.300 -0.003 0.000 2.355 25 W HA -0.121 4.539 4.660 -0.000 0.000 0.309 25 W C 2.538 179.052 176.519 -0.009 0.000 1.206 25 W CA 2.288 59.613 57.345 -0.034 0.000 1.284 25 W CB -0.202 29.206 29.460 -0.086 0.000 1.145 25 W HN 0.361 nan 8.180 nan 0.000 0.502 26 A N 0.440 123.396 122.820 0.227 0.000 1.908 26 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 26 A C 2.213 179.849 177.584 0.087 0.000 1.181 26 A CA 2.102 54.274 52.037 0.226 0.000 0.627 26 A CB -1.718 17.381 19.000 0.165 0.000 0.818 26 A HN 0.420 nan 8.150 nan 0.000 0.445 27 G N -0.992 107.845 108.800 0.060 0.000 2.450 27 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 27 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 27 G C 1.456 176.341 174.900 -0.024 0.000 1.130 27 G CA 1.347 46.466 45.100 0.033 0.000 0.760 27 G HN 0.355 nan 8.290 nan 0.000 0.557 28 M N 0.448 119.978 119.600 -0.117 0.000 2.132 28 M HA 0.007 4.487 4.480 -0.000 0.000 0.263 28 M C 2.788 178.969 176.300 -0.198 0.000 1.065 28 M CA 0.679 55.868 55.300 -0.186 0.000 1.122 28 M CB -1.268 31.144 32.600 -0.313 0.000 1.365 28 M HN 0.114 nan 8.290 nan 0.000 0.411 29 V N 0.350 120.104 119.914 -0.266 0.000 2.295 29 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 29 V C 2.636 178.743 176.094 0.022 0.000 1.049 29 V CA 2.123 64.327 62.300 -0.160 0.000 1.024 29 V CB -1.786 29.989 31.823 -0.080 0.000 0.648 29 V HN 0.567 nan 8.190 nan 0.000 0.447 30 G N -0.739 108.108 108.800 0.078 0.000 2.422 30 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 30 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 30 G C 1.667 176.685 174.900 0.197 0.000 1.140 30 G CA 1.437 46.634 45.100 0.162 0.000 0.775 30 G HN 0.486 nan 8.290 nan 0.000 0.545 31 T N 1.497 116.103 114.554 0.086 0.000 2.812 31 T HA 0.106 4.456 4.350 -0.000 0.000 0.264 31 T C 2.844 177.544 174.700 -0.000 0.000 1.042 31 T CA 1.246 63.379 62.100 0.054 0.000 1.140 31 T CB -0.290 68.581 68.868 0.006 0.000 0.870 31 T HN 0.348 nan 8.240 nan 0.000 0.445 32 A N 1.487 124.291 122.820 -0.026 0.000 1.883 32 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 32 A C 2.285 179.858 177.584 -0.019 0.000 1.186 32 A CA 1.288 53.296 52.037 -0.048 0.000 0.624 32 A CB -0.939 18.023 19.000 -0.063 0.000 0.822 32 A HN 0.468 nan 8.150 nan 0.000 0.444 33 L N 0.433 121.675 121.223 0.031 0.000 2.083 33 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 33 L C 2.999 179.829 176.870 -0.067 0.000 1.083 33 L CA 1.658 56.522 54.840 0.040 0.000 0.752 33 L CB -0.485 41.665 42.059 0.151 0.000 0.899 33 L HN 0.626 nan 8.230 nan 0.000 0.433 34 S N -0.348 115.284 115.700 -0.114 0.000 2.428 34 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 34 S C 1.921 176.438 174.600 -0.137 0.000 1.014 34 S CA 0.664 58.683 58.200 -0.302 0.000 0.957 34 S CB -0.464 62.615 63.200 -0.203 0.000 0.784 34 S HN 0.367 nan 8.310 nan 0.000 0.499 35 L N 0.421 121.591 121.223 -0.090 0.000 2.109 35 L HA 0.084 4.424 4.340 -0.000 0.000 0.207 35 L C 2.572 179.443 176.870 0.001 0.000 1.086 35 L CA 0.879 55.670 54.840 -0.081 0.000 0.760 35 L CB -0.496 41.461 42.059 -0.169 0.000 0.910 35 L HN 0.304 nan 8.230 nan 0.000 0.437 36 L N -0.460 120.763 121.223 -0.001 0.000 2.046 36 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 36 L C 2.439 179.362 176.870 0.089 0.000 1.077 36 L CA 1.330 56.198 54.840 0.048 0.000 0.747 36 L CB -0.362 41.718 42.059 0.034 0.000 0.896 36 L HN 0.202 nan 8.230 nan 0.000 0.432 37 I N -0.677 119.912 120.570 0.033 0.000 2.127 37 I HA -0.291 3.879 4.170 -0.000 0.000 0.241 37 I C 2.665 178.900 176.117 0.197 0.000 1.075 37 I CA 1.290 62.653 61.300 0.105 0.000 1.334 37 I CB -0.349 37.626 38.000 -0.043 0.000 1.040 37 I HN 0.220 nan 8.210 nan 0.000 0.405 38 R N 0.697 121.260 120.500 0.106 0.000 2.189 38 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 38 R C 2.229 178.625 176.300 0.160 0.000 1.074 38 R CA 1.163 57.334 56.100 0.118 0.000 0.991 38 R CB -0.400 29.938 30.300 0.064 0.000 0.883 38 R HN 0.387 nan 8.270 nan 0.000 0.457 39 A N 1.242 124.170 122.820 0.180 0.000 1.872 39 A HA -0.181 4.139 4.320 -0.000 0.000 0.214 39 A C 2.086 179.755 177.584 0.143 0.000 1.187 39 A CA 1.408 53.552 52.037 0.179 0.000 0.614 39 A CB -0.269 18.839 19.000 0.179 0.000 0.826 39 A HN 0.200 nan 8.150 nan 0.000 0.442 40 E N 0.339 120.643 120.200 0.172 0.000 2.110 40 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 40 E C 1.523 178.198 176.600 0.126 0.000 0.988 40 E CA 1.319 57.813 56.400 0.156 0.000 0.804 40 E CB -0.346 29.514 29.700 0.268 0.000 0.745 40 E HN 0.586 nan 8.360 nan 0.000 0.458 41 L N -0.862 120.470 121.223 0.182 0.000 2.592 41 L HA 0.284 4.624 4.340 -0.000 0.000 0.227 41 L C 2.106 179.110 176.870 0.223 0.000 1.127 41 L CA 0.301 55.287 54.840 0.244 0.000 0.884 41 L CB -0.021 42.166 42.059 0.214 0.000 1.065 41 L HN 0.215 nan 8.230 nan 0.000 0.457 42 G N 0.693 109.573 108.800 0.135 0.000 2.462 42 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.220 42 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.220 42 G C 0.583 175.534 174.900 0.085 0.000 1.121 42 G CA 0.468 45.616 45.100 0.081 0.000 0.758 42 G HN 0.546 nan 8.290 nan 0.000 0.559 43 Q N -1.088 118.776 119.800 0.108 0.000 2.435 43 Q HA 0.532 4.872 4.340 -0.000 0.000 0.282 43 Q C -3.318 172.699 176.000 0.029 0.000 1.020 43 Q CA -2.171 53.682 55.803 0.084 0.000 0.820 43 Q CB 1.675 30.423 28.738 0.017 0.000 1.436 43 Q HN -0.121 nan 8.270 nan 0.000 0.395 44 P HA 0.382 nan 4.420 nan 0.000 0.267 44 P C -0.036 177.143 177.300 -0.200 0.000 1.200 44 P CA 1.407 64.349 63.100 -0.263 0.000 0.772 44 P CB 0.604 32.215 31.700 -0.148 0.000 0.855 45 G N 0.877 109.519 108.800 -0.263 0.000 2.422 45 G HA2 0.016 3.976 3.960 -0.000 0.000 0.607 45 G HA3 0.016 3.976 3.960 -0.000 0.000 0.607 45 G C -1.191 173.619 174.900 -0.150 0.000 1.270 45 G CA -0.820 44.181 45.100 -0.165 0.000 0.992 45 G HN 0.530 nan 8.290 nan 0.000 0.499 46 T N 0.680 115.176 114.554 -0.098 0.000 2.797 46 T HA 0.542 4.892 4.350 -0.000 0.000 0.279 46 T C 1.068 175.748 174.700 -0.033 0.000 0.991 46 T CA 0.356 62.412 62.100 -0.072 0.000 0.979 46 T CB 1.676 70.507 68.868 -0.061 0.000 0.943 46 T HN 1.022 nan 8.240 nan 0.000 0.444 47 L N 3.899 125.118 121.223 -0.007 0.000 2.356 47 L HA 0.461 4.801 4.340 -0.000 0.000 0.193 47 L C 1.593 178.485 176.870 0.036 0.000 1.087 47 L CA 1.046 55.898 54.840 0.020 0.000 0.817 47 L CB -0.269 41.816 42.059 0.043 0.000 1.035 47 L HN 0.623 nan 8.230 nan 0.000 0.482 48 L N -0.852 120.407 121.223 0.060 0.000 2.168 48 L HA 0.467 4.807 4.340 -0.000 0.000 0.203 48 L C 1.171 178.077 176.870 0.059 0.000 1.078 48 L CA 0.494 55.377 54.840 0.072 0.000 0.780 48 L CB -0.416 41.709 42.059 0.112 0.000 0.939 48 L HN 0.486 nan 8.230 nan 0.000 0.451 49 G N -0.683 108.150 108.800 0.055 0.000 2.360 49 G HA2 0.090 4.050 3.960 -0.000 0.000 0.276 49 G HA3 0.090 4.050 3.960 -0.000 0.000 0.276 49 G C -1.856 173.065 174.900 0.035 0.000 1.256 49 G CA -0.104 45.021 45.100 0.041 0.000 0.890 49 G HN 0.132 nan 8.290 nan 0.000 0.486 50 D N -0.413 120.008 120.400 0.034 0.000 2.376 50 D HA 0.290 4.930 4.640 -0.000 0.000 0.268 50 D C 0.613 176.956 176.300 0.072 0.000 1.252 50 D CA -0.028 53.985 54.000 0.021 0.000 1.041 50 D CB 0.266 41.072 40.800 0.010 0.000 1.109 50 D HN 0.180 nan 8.370 nan 0.000 0.552 51 D N -1.454 118.982 120.400 0.061 0.000 2.309 51 D HA -0.139 4.501 4.640 -0.000 0.000 0.212 51 D C 1.658 178.081 176.300 0.205 0.000 0.968 51 D CA 0.875 54.965 54.000 0.150 0.000 0.882 51 D CB -0.034 40.827 40.800 0.101 0.000 0.918 51 D HN 0.434 nan 8.370 nan 0.000 0.503 52 Q N 0.906 120.790 119.800 0.140 0.000 1.990 52 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 52 Q C 2.134 178.225 176.000 0.151 0.000 0.980 52 Q CA 0.930 56.815 55.803 0.137 0.000 0.832 52 Q CB -0.448 28.340 28.738 0.082 0.000 0.897 52 Q HN 0.341 nan 8.270 nan 0.000 0.427 53 I N -0.218 120.435 120.570 0.139 0.000 2.315 53 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 53 I C 1.942 178.152 176.117 0.155 0.000 1.117 53 I CA 1.210 62.588 61.300 0.131 0.000 1.404 53 I CB -0.135 37.933 38.000 0.113 0.000 1.071 53 I HN 0.441 nan 8.210 nan 0.000 0.419 54 Y N 1.944 122.292 120.300 0.080 0.000 2.114 54 Y HA -0.291 4.259 4.550 -0.000 0.000 0.284 54 Y C 2.282 178.246 175.900 0.107 0.000 1.143 54 Y CA 2.043 60.198 58.100 0.090 0.000 1.135 54 Y CB -0.303 38.211 38.460 0.090 0.000 0.980 54 Y HN 0.213 nan 8.280 nan 0.000 0.499 55 N N -0.143 118.622 118.700 0.108 0.000 2.459 55 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 55 N C 1.776 177.297 175.510 0.019 0.000 1.046 55 N CA 1.085 54.150 53.050 0.024 0.000 0.904 55 N CB 0.011 38.592 38.487 0.157 0.000 0.964 55 N HN 0.301 nan 8.380 nan 0.000 0.444 56 V N 0.496 120.447 119.914 0.062 0.000 2.453 56 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 56 V C 2.367 178.496 176.094 0.057 0.000 1.048 56 V CA 0.960 63.313 62.300 0.089 0.000 1.049 56 V CB -0.232 31.660 31.823 0.115 0.000 0.672 56 V HN 0.030 nan 8.190 nan 0.000 0.457 57 V N -0.345 119.565 119.914 -0.006 0.000 2.307 57 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 57 V C 2.424 178.494 176.094 -0.040 0.000 1.045 57 V CA 1.852 64.138 62.300 -0.024 0.000 1.024 57 V CB -0.341 31.432 31.823 -0.083 0.000 0.651 57 V HN 0.397 nan 8.190 nan 0.000 0.449 58 V N -0.056 119.759 119.914 -0.165 0.000 2.343 58 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 58 V C 2.575 178.679 176.094 0.016 0.000 1.051 58 V CA 2.673 64.918 62.300 -0.092 0.000 1.036 58 V CB -1.047 30.672 31.823 -0.174 0.000 0.654 58 V HN 0.617 nan 8.190 nan 0.000 0.451 59 T N 0.395 114.940 114.554 -0.015 0.000 2.708 59 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 59 T C 2.053 176.728 174.700 -0.041 0.000 1.037 59 T CA 1.689 63.744 62.100 -0.076 0.000 1.146 59 T CB -0.441 68.423 68.868 -0.006 0.000 0.865 59 T HN 0.573 nan 8.240 nan 0.000 0.435 60 A N 1.114 124.019 122.820 0.142 0.000 1.930 60 A HA -0.135 4.184 4.320 -0.000 0.000 0.217 60 A C 1.998 179.707 177.584 0.210 0.000 1.175 60 A CA 2.170 54.366 52.037 0.266 0.000 0.627 60 A CB -0.937 18.220 19.000 0.261 0.000 0.815 60 A HN 0.686 nan 8.150 nan 0.000 0.443 61 H N 0.425 119.528 119.070 0.054 0.000 2.319 61 H HA -0.066 4.490 4.556 -0.000 0.000 0.297 61 H C 2.103 177.418 175.328 -0.022 0.000 1.097 61 H CA 2.318 58.386 56.048 0.034 0.000 1.285 61 H CB -0.418 29.355 29.762 0.019 0.000 1.368 61 H HN 0.361 nan 8.280 nan 0.000 0.495 62 A N 0.054 122.693 122.820 -0.301 0.000 1.858 62 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 62 A C 2.259 179.623 177.584 -0.367 0.000 1.190 62 A CA 1.543 53.248 52.037 -0.552 0.000 0.617 62 A CB -1.140 17.471 19.000 -0.649 0.000 0.827 62 A HN 0.445 nan 8.150 nan 0.000 0.443 63 F N 0.045 119.969 119.950 -0.044 0.000 2.126 63 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 63 F C 2.533 178.285 175.800 -0.079 0.000 1.096 63 F CA 1.175 59.217 58.000 0.071 0.000 1.255 63 F CB -1.022 38.036 39.000 0.096 0.000 0.997 63 F HN 0.024 nan 8.300 nan 0.000 0.479 64 V N -0.390 119.623 119.914 0.165 0.000 2.307 64 V HA -0.310 3.810 4.120 -0.000 0.000 0.245 64 V C 2.517 178.614 176.094 0.004 0.000 1.045 64 V CA 1.522 63.906 62.300 0.140 0.000 1.024 64 V CB -0.543 31.417 31.823 0.228 0.000 0.651 64 V HN 0.212 nan 8.190 nan 0.000 0.449 65 M N -0.893 118.631 119.600 -0.127 0.000 2.117 65 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 65 M C 2.126 178.291 176.300 -0.225 0.000 1.065 65 M CA 1.959 57.150 55.300 -0.182 0.000 1.114 65 M CB -0.945 31.454 32.600 -0.335 0.000 1.361 65 M HN 0.291 nan 8.290 nan 0.000 0.408 66 I N -1.208 119.149 120.570 -0.356 0.000 2.188 66 I HA -0.236 3.934 4.170 -0.000 0.000 0.237 66 I C 2.048 177.866 176.117 -0.499 0.000 1.073 66 I CA 1.207 62.192 61.300 -0.524 0.000 1.359 66 I CB -0.379 37.112 38.000 -0.849 0.000 1.083 66 I HN 0.047 nan 8.210 nan 0.000 0.412 67 F N -0.387 119.387 119.950 -0.293 0.000 2.416 67 F HA -0.026 4.501 4.527 -0.000 0.000 0.296 67 F C 1.762 177.368 175.800 -0.325 0.000 1.099 67 F CA 0.920 58.679 58.000 -0.402 0.000 1.427 67 F CB -0.175 38.394 39.000 -0.719 0.000 1.079 67 F HN -0.042 nan 8.300 nan 0.000 0.536 68 F N -2.409 117.649 119.950 0.179 0.000 2.717 68 F HA 0.190 4.717 4.527 -0.000 0.000 0.297 68 F C 1.924 177.863 175.800 0.233 0.000 1.113 68 F CA 0.048 58.178 58.000 0.217 0.000 1.319 68 F CB -0.292 38.555 39.000 -0.255 0.000 1.097 68 F HN -0.104 nan 8.300 nan 0.000 0.595 69 M N -0.457 119.288 119.600 0.242 0.000 2.969 69 M HA 0.102 4.582 4.480 -0.000 0.000 0.234 69 M C 2.031 178.426 176.300 0.160 0.000 1.409 69 M CA 1.160 56.576 55.300 0.193 0.000 1.314 69 M CB -0.500 32.162 32.600 0.104 0.000 1.130 69 M HN -0.086 nan 8.290 nan 0.000 0.558 70 V N 1.707 121.654 119.914 0.054 0.000 2.237 70 V HA -0.316 3.804 4.120 -0.000 0.000 0.245 70 V C 2.581 178.711 176.094 0.061 0.000 1.046 70 V CA 2.146 64.465 62.300 0.033 0.000 1.007 70 V CB -0.805 30.975 31.823 -0.072 0.000 0.638 70 V HN 0.498 nan 8.190 nan 0.000 0.445 71 M N -0.553 119.059 119.600 0.021 0.000 2.086 71 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 71 M C -0.035 176.340 176.300 0.125 0.000 1.067 71 M CA 2.282 57.607 55.300 0.042 0.000 1.116 71 M CB -1.528 31.077 32.600 0.008 0.000 1.348 71 M HN 0.281 nan 8.290 nan 0.000 0.407 72 P HA -0.105 nan 4.420 nan 0.000 0.216 72 P C 1.396 178.865 177.300 0.281 0.000 1.153 72 P CA 1.293 64.616 63.100 0.372 0.000 0.848 72 P CB -0.091 32.005 31.700 0.660 0.000 0.787 73 I N -2.004 118.740 120.570 0.290 0.000 2.163 73 I HA -0.235 3.935 4.170 -0.000 0.000 0.240 73 I C 2.437 178.757 176.117 0.339 0.000 1.081 73 I CA 1.651 63.120 61.300 0.282 0.000 1.353 73 I CB -0.481 37.700 38.000 0.302 0.000 1.054 73 I HN -0.082 nan 8.210 nan 0.000 0.407 74 M N 0.092 119.882 119.600 0.317 0.000 2.077 74 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 74 M C 2.301 178.738 176.300 0.229 0.000 1.070 74 M CA 2.105 57.609 55.300 0.340 0.000 1.125 74 M CB -0.228 32.477 32.600 0.176 0.000 1.339 74 M HN 0.166 nan 8.290 nan 0.000 0.409 75 I N -1.102 119.496 120.570 0.048 0.000 2.270 75 I HA -0.042 4.128 4.170 -0.000 0.000 0.239 75 I C 2.581 178.623 176.117 -0.125 0.000 1.080 75 I CA 1.187 62.419 61.300 -0.113 0.000 1.383 75 I CB -0.874 37.048 38.000 -0.130 0.000 1.097 75 I HN 0.307 nan 8.210 nan 0.000 0.420 76 G N 0.337 108.927 108.800 -0.350 0.000 2.403 76 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.216 76 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.216 76 G C 1.568 176.186 174.900 -0.471 0.000 1.154 76 G CA 0.821 45.280 45.100 -1.068 0.000 0.784 76 G HN 0.483 nan 8.290 nan 0.000 0.538 77 G N 0.460 109.196 108.800 -0.107 0.000 2.624 77 G HA2 0.064 4.024 3.960 -0.000 0.000 0.216 77 G HA3 0.064 4.024 3.960 -0.000 0.000 0.216 77 G C 1.500 176.393 174.900 -0.011 0.000 1.274 77 G CA 0.411 45.512 45.100 0.001 0.000 0.856 77 G HN 0.275 nan 8.290 nan 0.000 0.555 78 F N 1.835 121.862 119.950 0.128 0.000 2.171 78 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 78 F C 2.937 178.862 175.800 0.209 0.000 1.090 78 F CA 0.971 59.026 58.000 0.091 0.000 1.293 78 F CB -0.409 38.595 39.000 0.008 0.000 1.013 78 F HN 0.232 nan 8.300 nan 0.000 0.486 79 G N -0.031 109.002 108.800 0.388 0.000 2.459 79 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 79 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 79 G C 1.398 176.570 174.900 0.453 0.000 1.183 79 G CA 1.355 46.599 45.100 0.240 0.000 0.776 79 G HN 0.341 nan 8.290 nan 0.000 0.552 80 N N -0.720 118.231 118.700 0.418 0.000 2.166 80 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 80 N C 1.873 177.520 175.510 0.228 0.000 1.019 80 N CA 1.084 54.287 53.050 0.256 0.000 0.856 80 N CB -0.181 38.361 38.487 0.091 0.000 0.993 80 N HN 0.583 nan 8.380 nan 0.000 0.426 81 W N 0.936 122.240 121.300 0.007 0.000 2.378 81 W HA 0.019 4.679 4.660 -0.000 0.000 0.313 81 W C 1.694 178.244 176.519 0.052 0.000 1.197 81 W CA 0.722 58.003 57.345 -0.107 0.000 1.304 81 W CB -0.140 28.955 29.460 -0.609 0.000 1.148 81 W HN 0.018 nan 8.180 nan 0.000 0.494 82 L N -1.363 120.055 121.223 0.326 0.000 2.202 82 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 82 L C 2.078 179.072 176.870 0.208 0.000 1.083 82 L CA 0.245 55.196 54.840 0.185 0.000 0.790 82 L CB -1.235 40.764 42.059 -0.101 0.000 0.942 82 L HN -0.190 nan 8.230 nan 0.000 0.452 83 V N 0.805 120.865 119.914 0.243 0.000 2.255 83 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 83 V C -0.128 175.971 176.094 0.009 0.000 1.051 83 V CA 2.229 64.615 62.300 0.144 0.000 1.018 83 V CB -1.511 30.422 31.823 0.184 0.000 0.641 83 V HN 0.321 nan 8.190 nan 0.000 0.445 84 P HA -0.106 nan 4.420 nan 0.000 0.217 84 P C 1.906 179.103 177.300 -0.170 0.000 1.150 84 P CA 1.345 64.270 63.100 -0.291 0.000 0.832 84 P CB -0.058 31.173 31.700 -0.783 0.000 0.787 85 L N -1.907 119.330 121.223 0.024 0.000 2.056 85 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 85 L C 2.429 179.364 176.870 0.110 0.000 1.078 85 L CA 1.497 56.471 54.840 0.224 0.000 0.749 85 L CB -0.878 41.381 42.059 0.335 0.000 0.901 85 L HN -0.016 nan 8.230 nan 0.000 0.433 86 M N -0.116 119.544 119.600 0.101 0.000 2.460 86 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 86 M C 1.748 178.060 176.300 0.020 0.000 1.071 86 M CA 1.388 56.764 55.300 0.127 0.000 1.096 86 M CB -0.067 32.662 32.600 0.215 0.000 1.408 86 M HN 0.367 nan 8.290 nan 0.000 0.463 87 I N -4.347 116.159 120.570 -0.106 0.000 4.081 87 I HA 0.473 4.643 4.170 -0.000 0.000 0.333 87 I C 0.885 176.791 176.117 -0.351 0.000 1.413 87 I CA -0.029 61.170 61.300 -0.170 0.000 1.110 87 I CB -0.094 37.816 38.000 -0.150 0.000 1.082 87 I HN 0.294 nan 8.210 nan 0.000 0.402 88 G N 2.072 110.481 108.800 -0.651 0.000 2.198 88 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 88 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 88 G C 0.322 174.642 174.900 -0.967 0.000 1.025 88 G CA 0.222 44.459 45.100 -1.438 0.000 0.769 88 G HN 0.945 nan 8.290 nan 0.000 0.507 89 A N 0.244 122.736 122.820 -0.548 0.000 2.316 89 A HA 0.820 5.140 4.320 -0.000 0.000 0.284 89 A C -0.059 177.453 177.584 -0.120 0.000 1.115 89 A CA -0.817 51.053 52.037 -0.278 0.000 0.812 89 A CB 1.029 19.878 19.000 -0.251 0.000 1.064 89 A HN 0.130 nan 8.150 nan 0.000 0.489 90 P HA -0.015 nan 4.420 nan 0.000 0.225 90 P C 0.082 177.387 177.300 0.009 0.000 1.156 90 P CA 1.133 64.274 63.100 0.068 0.000 0.787 90 P CB 0.387 32.114 31.700 0.045 0.000 0.802 91 D N -2.814 117.509 120.400 -0.128 0.000 3.038 91 D HA 0.111 4.751 4.640 -0.000 0.000 0.351 91 D C -0.664 175.476 176.300 -0.266 0.000 1.442 91 D CA -0.497 53.390 54.000 -0.188 0.000 0.802 91 D CB 0.351 41.119 40.800 -0.053 0.000 1.406 91 D HN -0.324 nan 8.370 nan 0.000 0.488 92 M N 1.057 120.508 119.600 -0.248 0.000 2.227 92 M HA 0.352 4.832 4.480 -0.000 0.000 0.316 92 M C 1.310 177.418 176.300 -0.321 0.000 1.144 92 M CA 0.025 55.144 55.300 -0.301 0.000 1.121 92 M CB 0.536 32.952 32.600 -0.308 0.000 1.440 92 M HN 0.616 nan 8.290 nan 0.000 0.473 93 A N 1.489 124.021 122.820 -0.480 0.000 1.908 93 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 93 A C 0.512 177.649 177.584 -0.746 0.000 1.181 93 A CA 1.643 53.232 52.037 -0.747 0.000 0.627 93 A CB -0.302 17.975 19.000 -1.205 0.000 0.818 93 A HN 0.595 nan 8.150 nan 0.000 0.445 94 F N -0.313 119.575 119.950 -0.103 0.000 2.449 94 F HA 0.337 4.864 4.527 -0.000 0.000 0.344 94 F C -1.732 174.021 175.800 -0.080 0.000 1.180 94 F CA -2.908 55.045 58.000 -0.078 0.000 1.209 94 F CB 0.911 39.869 39.000 -0.069 0.000 1.440 94 F HN 0.087 nan 8.300 nan 0.000 0.526 95 P HA -0.200 nan 4.420 nan 0.000 0.219 95 P C 1.670 178.989 177.300 0.031 0.000 1.146 95 P CA 1.347 64.446 63.100 -0.001 0.000 0.808 95 P CB 0.466 32.152 31.700 -0.023 0.000 0.779 96 R N -0.615 119.920 120.500 0.059 0.000 2.080 96 R HA 0.121 4.461 4.340 -0.000 0.000 0.222 96 R C 2.569 178.908 176.300 0.065 0.000 1.107 96 R CA 0.693 56.825 56.100 0.053 0.000 0.980 96 R CB -0.662 29.657 30.300 0.033 0.000 0.879 96 R HN 0.017 nan 8.270 nan 0.000 0.439 97 M N 0.881 120.525 119.600 0.074 0.000 2.213 97 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 97 M C 1.824 178.173 176.300 0.081 0.000 1.062 97 M CA 1.756 57.093 55.300 0.062 0.000 1.105 97 M CB -0.285 32.340 32.600 0.042 0.000 1.385 97 M HN 0.303 nan 8.290 nan 0.000 0.417 98 N N 0.007 118.753 118.700 0.077 0.000 2.166 98 N HA -0.234 4.506 4.740 -0.000 0.000 0.186 98 N C 1.449 177.029 175.510 0.118 0.000 1.019 98 N CA 1.405 54.493 53.050 0.064 0.000 0.856 98 N CB -0.101 38.381 38.487 -0.009 0.000 0.993 98 N HN 0.381 nan 8.380 nan 0.000 0.426 99 N N 0.753 119.523 118.700 0.116 0.000 2.309 99 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 99 N C 1.699 177.351 175.510 0.236 0.000 1.018 99 N CA 0.705 53.862 53.050 0.178 0.000 0.876 99 N CB -0.115 38.501 38.487 0.214 0.000 0.972 99 N HN 0.329 nan 8.380 nan 0.000 0.434 100 M N -0.746 118.957 119.600 0.173 0.000 2.254 100 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 100 M C 1.682 178.042 176.300 0.100 0.000 1.066 100 M CA 0.937 56.330 55.300 0.154 0.000 1.123 100 M CB 0.040 32.695 32.600 0.091 0.000 1.388 100 M HN 0.013 nan 8.290 nan 0.000 0.425 101 S N 0.384 116.150 115.700 0.110 0.000 2.383 101 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 101 S C 1.456 176.074 174.600 0.031 0.000 1.030 101 S CA 1.471 59.746 58.200 0.125 0.000 1.002 101 S CB -0.501 62.834 63.200 0.225 0.000 0.829 101 S HN 0.618 nan 8.310 nan 0.000 0.467 102 F N 0.761 120.595 119.950 -0.193 0.000 2.098 102 F HA -0.008 4.519 4.527 -0.000 0.000 0.294 102 F C 1.649 177.084 175.800 -0.609 0.000 1.107 102 F CA 0.997 58.555 58.000 -0.736 0.000 1.234 102 F CB -0.701 37.651 39.000 -1.081 0.000 1.002 102 F HN 0.214 nan 8.300 nan 0.000 0.472 103 W N 0.607 121.655 121.300 -0.419 0.000 2.538 103 W HA -0.091 4.569 4.660 -0.000 0.000 0.254 103 W C 1.936 178.250 176.519 -0.341 0.000 1.249 103 W CA 0.357 57.470 57.345 -0.386 0.000 1.253 103 W CB -0.356 29.060 29.460 -0.073 0.000 1.130 103 W HN 0.085 nan 8.180 nan 0.000 0.618 104 L N -0.474 120.662 121.223 -0.146 0.000 2.341 104 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 104 L C 2.094 178.878 176.870 -0.143 0.000 1.115 104 L CA 0.474 55.268 54.840 -0.077 0.000 0.820 104 L CB -0.378 41.667 42.059 -0.023 0.000 0.944 104 L HN 0.070 nan 8.230 nan 0.000 0.452 105 L N -0.153 120.826 121.223 -0.407 0.000 2.027 105 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 105 L C -0.203 176.533 176.870 -0.223 0.000 1.074 105 L CA 1.256 55.833 54.840 -0.438 0.000 0.745 105 L CB -1.770 39.646 42.059 -1.072 0.000 0.898 105 L HN 0.191 nan 8.230 nan 0.000 0.433 106 P HA -0.105 nan 4.420 nan 0.000 0.215 106 P C -1.336 176.019 177.300 0.092 0.000 1.157 106 P CA 1.558 64.722 63.100 0.106 0.000 0.868 106 P CB -0.913 30.854 31.700 0.113 0.000 0.788 107 P HA -0.140 nan 4.420 nan 0.000 0.216 107 P C 1.933 179.287 177.300 0.090 0.000 1.153 107 P CA 1.699 64.835 63.100 0.059 0.000 0.848 107 P CB -0.458 31.266 31.700 0.039 0.000 0.787 108 S N -1.724 114.039 115.700 0.104 0.000 2.370 108 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 108 S C 1.804 176.525 174.600 0.202 0.000 1.033 108 S CA 1.140 59.452 58.200 0.186 0.000 1.011 108 S CB -1.124 62.247 63.200 0.285 0.000 0.852 108 S HN 0.057 nan 8.310 nan 0.000 0.457 109 F N 0.713 120.530 119.950 -0.223 0.000 2.186 109 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 109 F C 2.036 177.772 175.800 -0.107 0.000 1.090 109 F CA 0.820 58.526 58.000 -0.489 0.000 1.307 109 F CB -0.089 38.575 39.000 -0.559 0.000 1.019 109 F HN 0.296 nan 8.300 nan 0.000 0.489 110 L N 0.696 122.019 121.223 0.166 0.000 2.083 110 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 110 L C 1.894 178.841 176.870 0.128 0.000 1.083 110 L CA 1.710 56.603 54.840 0.089 0.000 0.752 110 L CB -0.737 41.349 42.059 0.044 0.000 0.899 110 L HN 0.142 nan 8.230 nan 0.000 0.433 111 L N -1.238 120.074 121.223 0.149 0.000 2.093 111 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 111 L C 2.498 179.472 176.870 0.174 0.000 1.085 111 L CA 1.295 56.226 54.840 0.151 0.000 0.755 111 L CB -0.537 41.617 42.059 0.157 0.000 0.904 111 L HN 0.376 nan 8.230 nan 0.000 0.435 112 L N -0.384 120.982 121.223 0.238 0.000 2.056 112 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 112 L C 2.427 179.459 176.870 0.270 0.000 1.078 112 L CA 1.315 56.319 54.840 0.273 0.000 0.749 112 L CB -0.033 42.289 42.059 0.437 0.000 0.901 112 L HN 0.177 nan 8.230 nan 0.000 0.433 113 L N -0.284 121.100 121.223 0.269 0.000 2.093 113 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 113 L C 2.827 179.780 176.870 0.139 0.000 1.085 113 L CA 0.973 55.928 54.840 0.191 0.000 0.755 113 L CB -0.763 41.365 42.059 0.115 0.000 0.904 113 L HN 0.351 nan 8.230 nan 0.000 0.435 114 A N -0.038 122.858 122.820 0.126 0.000 1.902 114 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 114 A C 2.547 180.198 177.584 0.110 0.000 1.181 114 A CA 1.921 54.020 52.037 0.103 0.000 0.623 114 A CB -0.731 18.326 19.000 0.095 0.000 0.818 114 A HN 0.488 nan 8.150 nan 0.000 0.443 115 S N 0.550 116.326 115.700 0.126 0.000 2.399 115 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 115 S C 1.986 176.662 174.600 0.126 0.000 1.022 115 S CA 1.979 60.251 58.200 0.121 0.000 0.983 115 S CB -0.703 62.568 63.200 0.117 0.000 0.803 115 S HN 0.940 nan 8.310 nan 0.000 0.480 116 S N 0.120 115.901 115.700 0.136 0.000 2.528 116 S HA 0.244 4.714 4.470 -0.000 0.000 0.219 116 S C 1.793 176.456 174.600 0.105 0.000 0.985 116 S CA 0.108 58.387 58.200 0.130 0.000 0.914 116 S CB -0.247 63.040 63.200 0.146 0.000 0.776 116 S HN 0.381 nan 8.310 nan 0.000 0.526 117 M N 2.109 121.767 119.600 0.096 0.000 2.325 117 M HA 0.240 4.720 4.480 -0.000 0.000 0.265 117 M C 1.125 177.467 176.300 0.070 0.000 1.094 117 M CA 0.549 55.895 55.300 0.077 0.000 1.161 117 M CB -0.787 31.854 32.600 0.069 0.000 1.358 117 M HN 0.406 nan 8.290 nan 0.000 0.446 118 V N -0.383 119.577 119.914 0.076 0.000 2.834 118 V HA 0.287 4.407 4.120 -0.000 0.000 0.301 118 V C 0.825 176.962 176.094 0.072 0.000 1.066 118 V CA -0.996 61.345 62.300 0.069 0.000 1.052 118 V CB 0.788 32.654 31.823 0.072 0.000 1.021 118 V HN 0.584 nan 8.190 nan 0.000 0.480 119 E N 2.557 122.793 120.200 0.060 0.000 3.401 119 E HA -0.352 3.998 4.350 -0.000 0.000 0.352 119 E C 0.938 177.572 176.600 0.057 0.000 1.523 119 E CA 2.041 58.474 56.400 0.054 0.000 1.794 119 E CB -1.674 28.062 29.700 0.060 0.000 1.792 119 E HN 1.552 nan 8.360 nan 0.000 0.471 120 A N 1.639 124.495 122.820 0.059 0.000 2.500 120 A HA 0.512 4.832 4.320 -0.000 0.000 0.267 120 A C 0.902 178.549 177.584 0.104 0.000 1.290 120 A CA 1.432 53.507 52.037 0.062 0.000 0.928 120 A CB -0.158 18.857 19.000 0.026 0.000 1.066 120 A HN 1.379 nan 8.150 nan 0.000 0.516 121 G N -1.036 107.838 108.800 0.123 0.000 2.855 121 G HA2 0.289 4.249 3.960 -0.000 0.000 0.352 121 G HA3 0.289 4.249 3.960 -0.000 0.000 0.352 121 G C 0.100 175.130 174.900 0.216 0.000 1.415 121 G CA -0.301 44.890 45.100 0.152 0.000 0.871 121 G HN 1.762 nan 8.290 nan 0.000 0.543 122 A N 0.290 123.219 122.820 0.181 0.000 2.412 122 A HA 0.736 5.056 4.320 -0.000 0.000 0.334 122 A C 0.819 178.460 177.584 0.095 0.000 1.419 122 A CA 0.792 52.896 52.037 0.110 0.000 0.930 122 A CB 0.360 19.389 19.000 0.049 0.000 1.149 122 A HN 2.296 nan 8.150 nan 0.000 0.515 123 G N 1.559 110.493 108.800 0.223 0.000 3.515 123 G HA2 0.379 4.339 3.960 -0.000 0.000 0.288 123 G HA3 0.379 4.339 3.960 -0.000 0.000 0.288 123 G C 0.686 175.618 174.900 0.052 0.000 1.012 123 G CA 0.493 45.693 45.100 0.165 0.000 1.689 123 G HN 0.791 nan 8.290 nan 0.000 0.572 124 T N -2.399 112.096 114.554 -0.098 0.000 2.975 124 T HA 0.507 4.856 4.350 -0.000 0.000 0.257 124 T C 1.111 175.720 174.700 -0.152 0.000 1.003 124 T CA 0.490 62.490 62.100 -0.165 0.000 0.932 124 T CB 0.665 69.363 68.868 -0.283 0.000 1.087 124 T HN 1.632 nan 8.240 nan 0.000 0.512 125 G N 1.642 110.373 108.800 -0.116 0.000 2.692 125 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 125 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 125 G C 0.237 174.990 174.900 -0.246 0.000 1.243 125 G CA -0.256 44.753 45.100 -0.152 0.000 0.782 125 G HN 0.592 nan 8.290 nan 0.000 0.625 126 W N 0.725 121.716 121.300 -0.515 0.000 2.611 126 W HA -0.044 4.616 4.660 -0.000 0.000 0.251 126 W C 1.513 177.779 176.519 -0.422 0.000 1.265 126 W CA 2.044 58.890 57.345 -0.832 0.000 1.295 126 W CB -1.476 27.426 29.460 -0.930 0.000 1.129 126 W HN 1.084 nan 8.180 nan 0.000 0.630 127 T N -1.074 112.807 114.554 -1.122 0.000 3.055 127 T HA 0.040 4.390 4.350 -0.000 0.000 0.265 127 T C 1.196 175.342 174.700 -0.924 0.000 1.111 127 T CA 0.814 61.904 62.100 -1.684 0.000 1.118 127 T CB -0.814 67.077 68.868 -1.628 0.000 0.909 127 T HN 0.149 nan 8.240 nan 0.000 0.501 128 V N 0.715 120.334 119.914 -0.491 0.000 5.175 128 V HA -0.237 3.883 4.120 -0.000 0.000 0.279 128 V C 0.245 176.105 176.094 -0.390 0.000 0.571 128 V CA 0.377 62.498 62.300 -0.299 0.000 0.694 128 V CB -2.945 28.791 31.823 -0.144 0.000 0.525 128 V HN 0.707 nan 8.190 nan 0.000 1.093 129 Y N 1.825 121.841 120.300 -0.472 0.000 2.610 129 Y HA 0.244 4.794 4.550 -0.000 0.000 0.332 129 Y C -0.846 174.776 175.900 -0.462 0.000 1.201 129 Y CA -1.692 56.102 58.100 -0.511 0.000 1.465 129 Y CB 0.944 39.269 38.460 -0.224 0.000 1.283 129 Y HN 0.276 nan 8.280 nan 0.000 0.563 130 P HA 0.191 nan 4.420 nan 0.000 0.281 130 P C -2.454 174.802 177.300 -0.074 0.000 1.264 130 P CA -2.035 60.935 63.100 -0.217 0.000 0.824 130 P CB 1.372 32.928 31.700 -0.241 0.000 1.092 131 P HA 0.025 nan 4.420 nan 0.000 0.236 131 P C 1.573 178.897 177.300 0.040 0.000 1.177 131 P CA 0.138 63.255 63.100 0.028 0.000 0.773 131 P CB -0.108 31.624 31.700 0.054 0.000 0.878 132 L N 0.527 121.779 121.223 0.049 0.000 2.081 132 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 132 L C 1.968 178.904 176.870 0.110 0.000 1.080 132 L CA 2.103 57.005 54.840 0.105 0.000 0.754 132 L CB -1.303 40.814 42.059 0.097 0.000 0.893 132 L HN -0.053 nan 8.230 nan 0.000 0.433 133 A N -0.927 121.861 122.820 -0.053 0.000 2.238 133 A HA 0.390 4.710 4.320 -0.000 0.000 0.208 133 A C 1.389 178.948 177.584 -0.041 0.000 1.177 133 A CA 0.381 52.333 52.037 -0.142 0.000 0.804 133 A CB -1.281 17.564 19.000 -0.258 0.000 0.823 133 A HN 0.481 nan 8.150 nan 0.000 0.482 134 G N 0.055 108.865 108.800 0.016 0.000 2.653 134 G HA2 0.250 4.210 3.960 -0.000 0.000 0.265 134 G HA3 0.250 4.210 3.960 -0.000 0.000 0.265 134 G C 0.598 175.541 174.900 0.071 0.000 1.237 134 G CA 0.146 45.272 45.100 0.044 0.000 0.946 134 G HN 0.473 nan 8.290 nan 0.000 0.522 135 N N -0.883 117.853 118.700 0.060 0.000 2.571 135 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 135 N C 1.477 177.018 175.510 0.052 0.000 1.154 135 N CA 0.553 53.638 53.050 0.058 0.000 0.907 135 N CB 0.091 38.606 38.487 0.047 0.000 0.977 135 N HN 0.309 nan 8.380 nan 0.000 0.449 136 L N -0.627 120.627 121.223 0.051 0.000 2.349 136 L HA 0.481 4.821 4.340 -0.000 0.000 0.200 136 L C 2.029 178.919 176.870 0.033 0.000 1.064 136 L CA 0.946 55.809 54.840 0.038 0.000 0.821 136 L CB -0.703 41.377 42.059 0.036 0.000 1.027 136 L HN 0.124 nan 8.230 nan 0.000 0.476 137 A N -2.042 120.811 122.820 0.054 0.000 2.123 137 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 137 A C 0.284 177.868 177.584 0.001 0.000 1.152 137 A CA 0.692 52.756 52.037 0.045 0.000 0.728 137 A CB -0.607 18.449 19.000 0.093 0.000 0.814 137 A HN 0.617 nan 8.150 nan 0.000 0.464 138 H N -0.989 118.091 119.070 0.017 0.000 2.597 138 H HA 0.527 5.083 4.556 -0.000 0.000 0.225 138 H C 0.070 175.409 175.328 0.018 0.000 1.422 138 H CA -0.094 55.964 56.048 0.018 0.000 1.335 138 H CB 0.423 30.192 29.762 0.011 0.000 1.783 138 H HN 0.409 nan 8.280 nan 0.000 0.513 139 A N 0.994 123.845 122.820 0.052 0.000 2.445 139 A HA 0.603 4.923 4.320 -0.000 0.000 0.242 139 A C 1.003 178.620 177.584 0.054 0.000 1.075 139 A CA 0.740 52.806 52.037 0.048 0.000 0.777 139 A CB -0.133 18.881 19.000 0.024 0.000 1.013 139 A HN 0.885 nan 8.150 nan 0.000 0.493 140 G N -0.992 107.842 108.800 0.057 0.000 2.603 140 G HA2 0.364 4.324 3.960 -0.000 0.000 0.686 140 G HA3 0.364 4.324 3.960 -0.000 0.000 0.686 140 G C 0.648 175.592 174.900 0.072 0.000 1.286 140 G CA 0.110 45.246 45.100 0.061 0.000 0.871 140 G HN 1.981 nan 8.290 nan 0.000 0.568 141 A N -0.158 122.707 122.820 0.075 0.000 2.121 141 A HA 0.274 4.594 4.320 -0.000 0.000 0.218 141 A C 2.695 180.331 177.584 0.086 0.000 1.154 141 A CA 2.551 54.639 52.037 0.085 0.000 0.679 141 A CB -0.629 18.426 19.000 0.093 0.000 0.795 141 A HN 1.606 nan 8.150 nan 0.000 0.458 142 S N -0.190 115.567 115.700 0.095 0.000 2.377 142 S HA -0.209 4.261 4.470 -0.000 0.000 0.224 142 S C 1.869 176.507 174.600 0.063 0.000 1.042 142 S CA 1.831 60.092 58.200 0.101 0.000 1.086 142 S CB -0.650 62.636 63.200 0.143 0.000 0.995 142 S HN 0.388 nan 8.310 nan 0.000 0.428 143 V N 2.508 122.448 119.914 0.042 0.000 2.490 143 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 143 V C 1.987 178.026 176.094 -0.093 0.000 1.061 143 V CA 1.705 63.981 62.300 -0.040 0.000 1.064 143 V CB -0.711 31.072 31.823 -0.068 0.000 0.670 143 V HN 0.433 nan 8.190 nan 0.000 0.461 144 D N 0.019 120.376 120.400 -0.073 0.000 2.144 144 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 144 D C 2.130 178.341 176.300 -0.149 0.000 0.978 144 D CA 1.069 54.959 54.000 -0.185 0.000 0.833 144 D CB -0.025 40.732 40.800 -0.071 0.000 0.961 144 D HN 0.361 nan 8.370 nan 0.000 0.470 145 L N 0.667 121.918 121.223 0.047 0.000 2.141 145 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 145 L C 2.530 179.432 176.870 0.054 0.000 1.094 145 L CA 0.924 55.854 54.840 0.151 0.000 0.763 145 L CB -0.412 41.734 42.059 0.145 0.000 0.908 145 L HN -0.022 nan 8.230 nan 0.000 0.437 146 T N 0.043 114.571 114.554 -0.044 0.000 2.777 146 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 146 T C 1.909 176.445 174.700 -0.274 0.000 1.040 146 T CA 1.261 63.270 62.100 -0.150 0.000 1.141 146 T CB -0.129 68.667 68.868 -0.119 0.000 0.868 146 T HN 0.180 nan 8.240 nan 0.000 0.444 147 I N 0.232 120.621 120.570 -0.302 0.000 2.226 147 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 147 I C 1.962 177.852 176.117 -0.379 0.000 1.100 147 I CA 1.287 62.328 61.300 -0.432 0.000 1.374 147 I CB -0.346 37.347 38.000 -0.512 0.000 1.057 147 I HN 0.159 nan 8.210 nan 0.000 0.413 148 F N 0.374 120.277 119.950 -0.078 0.000 2.171 148 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 148 F C 2.924 178.717 175.800 -0.011 0.000 1.090 148 F CA 1.403 59.426 58.000 0.039 0.000 1.293 148 F CB -1.181 37.857 39.000 0.063 0.000 1.013 148 F HN 0.018 nan 8.300 nan 0.000 0.486 149 S N 0.202 115.958 115.700 0.094 0.000 2.356 149 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 149 S C 2.183 176.718 174.600 -0.109 0.000 1.032 149 S CA 1.178 59.397 58.200 0.033 0.000 1.005 149 S CB -0.440 62.753 63.200 -0.012 0.000 0.867 149 S HN 0.336 nan 8.310 nan 0.000 0.449 150 L N 0.161 121.191 121.223 -0.323 0.000 2.083 150 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 150 L C 2.424 179.140 176.870 -0.257 0.000 1.083 150 L CA 1.621 56.172 54.840 -0.482 0.000 0.752 150 L CB -0.647 41.045 42.059 -0.611 0.000 0.899 150 L HN 0.468 nan 8.230 nan 0.000 0.433 151 H N -0.502 118.499 119.070 -0.115 0.000 2.321 151 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 151 H C 2.324 177.639 175.328 -0.022 0.000 1.087 151 H CA 1.208 57.231 56.048 -0.042 0.000 1.319 151 H CB 0.145 29.951 29.762 0.074 0.000 1.379 151 H HN 0.203 nan 8.280 nan 0.000 0.501 152 L N -0.162 121.145 121.223 0.141 0.000 2.056 152 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 152 L C 2.823 179.732 176.870 0.065 0.000 1.078 152 L CA 0.852 55.745 54.840 0.089 0.000 0.749 152 L CB -0.590 41.523 42.059 0.089 0.000 0.901 152 L HN 0.340 nan 8.230 nan 0.000 0.433 153 A N 0.511 123.356 122.820 0.042 0.000 1.933 153 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 153 A C 2.395 180.011 177.584 0.054 0.000 1.175 153 A CA 1.621 53.691 52.037 0.055 0.000 0.628 153 A CB -1.047 17.917 19.000 -0.060 0.000 0.814 153 A HN 0.439 nan 8.150 nan 0.000 0.444 154 G N -0.473 108.327 108.800 0.000 0.000 2.404 154 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 154 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 154 G C 1.506 176.438 174.900 0.053 0.000 1.174 154 G CA 1.220 46.329 45.100 0.016 0.000 0.780 154 G HN 0.304 nan 8.290 nan 0.000 0.537 155 V N 0.990 120.936 119.914 0.053 0.000 2.343 155 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 155 V C 3.056 179.187 176.094 0.062 0.000 1.051 155 V CA 2.231 64.559 62.300 0.046 0.000 1.036 155 V CB -0.489 31.351 31.823 0.029 0.000 0.654 155 V HN 0.507 nan 8.190 nan 0.000 0.451 156 S N -0.281 115.463 115.700 0.073 0.000 2.359 156 S HA -0.244 4.226 4.470 -0.000 0.000 0.224 156 S C 2.219 176.898 174.600 0.132 0.000 1.035 156 S CA 2.349 60.606 58.200 0.095 0.000 1.018 156 S CB -0.354 62.901 63.200 0.090 0.000 0.876 156 S HN 0.584 nan 8.310 nan 0.000 0.448 157 S N 0.784 116.567 115.700 0.138 0.000 2.383 157 S HA 0.110 4.580 4.470 -0.000 0.000 0.227 157 S C 1.741 176.424 174.600 0.138 0.000 1.026 157 S CA 1.195 59.486 58.200 0.153 0.000 0.981 157 S CB -0.390 62.908 63.200 0.163 0.000 0.818 157 S HN 0.536 nan 8.310 nan 0.000 0.472 158 I N 1.279 121.916 120.570 0.111 0.000 2.252 158 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 158 I C 1.922 178.095 176.117 0.093 0.000 1.102 158 I CA 1.044 62.402 61.300 0.097 0.000 1.385 158 I CB -0.266 37.776 38.000 0.070 0.000 1.064 158 I HN 0.237 nan 8.210 nan 0.000 0.414 159 L N 0.119 121.391 121.223 0.081 0.000 2.093 159 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 159 L C 2.643 179.574 176.870 0.100 0.000 1.085 159 L CA 1.373 56.255 54.840 0.070 0.000 0.755 159 L CB -1.152 40.937 42.059 0.050 0.000 0.904 159 L HN 0.321 nan 8.230 nan 0.000 0.435 160 G N -0.227 108.651 108.800 0.130 0.000 2.422 160 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 160 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 160 G C 1.786 176.827 174.900 0.236 0.000 1.146 160 G CA 0.796 45.991 45.100 0.159 0.000 0.769 160 G HN 0.451 nan 8.290 nan 0.000 0.547 161 A N 0.792 123.741 122.820 0.216 0.000 1.898 161 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 161 A C 2.383 180.076 177.584 0.181 0.000 1.181 161 A CA 1.170 53.337 52.037 0.216 0.000 0.620 161 A CB -0.340 18.753 19.000 0.156 0.000 0.819 161 A HN 0.360 nan 8.150 nan 0.000 0.442 162 I N -0.092 120.565 120.570 0.145 0.000 2.226 162 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 162 I C 2.464 178.701 176.117 0.199 0.000 1.100 162 I CA 1.381 62.772 61.300 0.151 0.000 1.374 162 I CB -0.403 37.666 38.000 0.115 0.000 1.057 162 I HN 0.347 nan 8.210 nan 0.000 0.413 163 N N 0.987 119.786 118.700 0.165 0.000 2.084 163 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 163 N C 1.883 177.307 175.510 -0.142 0.000 1.030 163 N CA 1.684 54.759 53.050 0.042 0.000 0.849 163 N CB -0.269 38.170 38.487 -0.081 0.000 1.012 163 N HN 0.229 nan 8.380 nan 0.000 0.423 164 F N 0.848 120.790 119.950 -0.013 0.000 2.113 164 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 164 F C 2.303 178.052 175.800 -0.085 0.000 1.103 164 F CA 0.648 58.606 58.000 -0.070 0.000 1.248 164 F CB -0.184 38.774 39.000 -0.070 0.000 0.999 164 F HN 0.000 nan 8.300 nan 0.000 0.475 165 I N -0.509 120.146 120.570 0.142 0.000 2.179 165 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 165 I C 2.279 178.391 176.117 -0.009 0.000 1.088 165 I CA 1.623 62.954 61.300 0.051 0.000 1.357 165 I CB -0.835 37.203 38.000 0.063 0.000 1.051 165 I HN 0.106 nan 8.210 nan 0.000 0.409 166 T N -0.114 114.434 114.554 -0.009 0.000 2.708 166 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 166 T C 1.922 176.515 174.700 -0.178 0.000 1.037 166 T CA 2.068 64.119 62.100 -0.081 0.000 1.146 166 T CB -0.467 68.342 68.868 -0.097 0.000 0.865 166 T HN 0.371 nan 8.240 nan 0.000 0.435 167 T N 2.254 116.678 114.554 -0.215 0.000 2.684 167 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 167 T C 1.994 176.594 174.700 -0.166 0.000 1.036 167 T CA 1.061 63.024 62.100 -0.228 0.000 1.148 167 T CB -0.446 68.281 68.868 -0.235 0.000 0.863 167 T HN 0.338 nan 8.240 nan 0.000 0.436 168 I N 0.507 121.003 120.570 -0.122 0.000 2.315 168 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 168 I C 2.026 178.033 176.117 -0.185 0.000 1.117 168 I CA 0.792 62.001 61.300 -0.152 0.000 1.404 168 I CB -0.280 37.629 38.000 -0.153 0.000 1.071 168 I HN 0.192 nan 8.210 nan 0.000 0.419 169 I N 0.480 120.957 120.570 -0.155 0.000 2.400 169 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 169 I C 2.058 178.096 176.117 -0.131 0.000 1.109 169 I CA 1.510 62.722 61.300 -0.147 0.000 1.425 169 I CB -1.303 36.635 38.000 -0.103 0.000 1.094 169 I HN 0.263 nan 8.210 nan 0.000 0.425 170 N N 0.130 118.752 118.700 -0.130 0.000 2.356 170 N HA 0.087 4.827 4.740 -0.000 0.000 0.178 170 N C 1.087 176.516 175.510 -0.134 0.000 1.075 170 N CA 0.445 53.421 53.050 -0.123 0.000 0.889 170 N CB 0.237 38.650 38.487 -0.123 0.000 0.999 170 N HN 0.151 nan 8.380 nan 0.000 0.464 171 M N 0.068 119.575 119.600 -0.155 0.000 2.685 171 M HA 0.231 4.711 4.480 -0.000 0.000 0.355 171 M C -0.476 175.729 176.300 -0.159 0.000 1.197 171 M CA -0.197 55.009 55.300 -0.158 0.000 0.947 171 M CB 0.747 33.236 32.600 -0.184 0.000 1.346 171 M HN -0.166 nan 8.290 nan 0.000 0.516 172 K N 0.971 121.283 120.400 -0.147 0.000 2.090 172 K HA 0.482 4.802 4.320 -0.000 0.000 0.250 172 K C -2.437 174.087 176.600 -0.126 0.000 1.004 172 K CA -1.700 54.500 56.287 -0.145 0.000 0.919 172 K CB 0.182 32.599 32.500 -0.137 0.000 1.045 172 K HN -0.138 nan 8.250 nan 0.000 0.471 173 P HA 0.018 nan 4.420 nan 0.000 0.269 173 P C -2.116 175.130 177.300 -0.091 0.000 1.209 173 P CA -0.945 62.094 63.100 -0.102 0.000 0.776 173 P CB 0.168 31.810 31.700 -0.096 0.000 0.876 174 P HA -0.231 nan 4.420 nan 0.000 0.217 174 P C 0.966 178.223 177.300 -0.071 0.000 1.148 174 P CA 1.833 64.888 63.100 -0.075 0.000 0.834 174 P CB -0.202 31.455 31.700 -0.072 0.000 0.783 175 A N -1.705 121.065 122.820 -0.082 0.000 2.123 175 A HA 0.062 4.382 4.320 -0.000 0.000 0.214 175 A C 1.289 178.844 177.584 -0.049 0.000 1.152 175 A CA 0.063 52.058 52.037 -0.070 0.000 0.728 175 A CB -0.890 18.053 19.000 -0.096 0.000 0.814 175 A HN 0.174 nan 8.150 nan 0.000 0.464 176 M N 2.221 121.788 119.600 -0.055 0.000 2.143 176 M HA 0.264 4.744 4.480 -0.000 0.000 0.348 176 M C 0.426 176.698 176.300 -0.046 0.000 1.375 176 M CA -0.219 55.056 55.300 -0.042 0.000 1.124 176 M CB 0.524 33.092 32.600 -0.053 0.000 1.669 176 M HN 0.419 nan 8.290 nan 0.000 0.469 177 S N 3.399 119.090 115.700 -0.015 0.000 2.681 177 S HA 0.166 4.636 4.470 -0.000 0.000 0.270 177 S C 0.637 175.182 174.600 -0.090 0.000 1.209 177 S CA -0.489 57.689 58.200 -0.038 0.000 0.988 177 S CB 1.343 64.567 63.200 0.040 0.000 1.006 177 S HN 0.824 nan 8.310 nan 0.000 0.558 178 Q N -0.462 119.190 119.800 -0.247 0.000 2.226 178 Q HA 0.029 4.369 4.340 -0.000 0.000 0.204 178 Q C 0.549 176.537 176.000 -0.021 0.000 0.975 178 Q CA 1.594 57.180 55.803 -0.361 0.000 0.866 178 Q CB -0.557 27.839 28.738 -0.571 0.000 0.915 178 Q HN 0.838 nan 8.270 nan 0.000 0.440 179 Y N -0.771 119.764 120.300 0.392 0.000 2.477 179 Y HA 0.168 4.718 4.550 -0.000 0.000 0.303 179 Y C 0.833 176.922 175.900 0.315 0.000 1.202 179 Y CA 0.253 58.675 58.100 0.536 0.000 1.282 179 Y CB 0.145 38.825 38.460 0.367 0.000 1.071 179 Y HN 0.118 nan 8.280 nan 0.000 0.510 180 Q N -0.534 119.437 119.800 0.286 0.000 2.118 180 Q HA 0.119 4.459 4.340 -0.000 0.000 0.219 180 Q C 0.320 176.403 176.000 0.138 0.000 0.794 180 Q CA -0.138 55.732 55.803 0.112 0.000 1.035 180 Q CB 0.847 29.618 28.738 0.054 0.000 1.177 180 Q HN 0.286 nan 8.270 nan 0.000 0.478 181 T N -2.099 112.607 114.554 0.254 0.000 2.907 181 T HA 0.596 4.946 4.350 -0.000 0.000 0.284 181 T C -2.560 172.409 174.700 0.448 0.000 1.004 181 T CA -2.232 59.987 62.100 0.199 0.000 1.063 181 T CB 1.477 70.315 68.868 -0.050 0.000 0.992 181 T HN -0.225 nan 8.240 nan 0.000 0.483 182 P HA 0.184 nan 4.420 nan 0.000 0.269 182 P C 1.060 178.775 177.300 0.692 0.000 1.215 182 P CA -0.480 62.955 63.100 0.558 0.000 0.780 182 P CB 0.428 32.488 31.700 0.599 0.000 0.898 183 L N 0.680 122.338 121.223 0.725 0.000 2.127 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 183 L C 2.121 179.353 176.870 0.602 0.000 1.089 183 L CA 1.401 56.608 54.840 0.612 0.000 0.757 183 L CB -0.619 41.713 42.059 0.455 0.000 0.899 183 L HN 0.388 nan 8.230 nan 0.000 0.434 184 F N 0.277 120.541 119.950 0.523 0.000 2.186 184 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 184 F C 2.205 178.077 175.800 0.121 0.000 1.090 184 F CA 1.275 59.364 58.000 0.150 0.000 1.307 184 F CB -0.273 38.563 39.000 -0.273 0.000 1.019 184 F HN -0.253 nan 8.300 nan 0.000 0.489 185 V N -0.958 119.013 119.914 0.096 0.000 2.343 185 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 185 V C 2.117 178.147 176.094 -0.108 0.000 1.051 185 V CA 2.038 64.276 62.300 -0.103 0.000 1.036 185 V CB -1.080 30.737 31.823 -0.010 0.000 0.654 185 V HN 0.497 nan 8.190 nan 0.000 0.451 186 W N 0.849 122.146 121.300 -0.005 0.000 2.358 186 W HA -0.233 4.427 4.660 -0.000 0.000 0.303 186 W C 3.038 179.521 176.519 -0.060 0.000 1.208 186 W CA 1.978 59.319 57.345 -0.007 0.000 1.274 186 W CB -0.411 29.071 29.460 0.037 0.000 1.138 186 W HN 0.371 nan 8.180 nan 0.000 0.515 187 S N -0.441 115.360 115.700 0.169 0.000 2.382 187 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 187 S C 1.701 176.219 174.600 -0.138 0.000 1.027 187 S CA 1.628 59.859 58.200 0.051 0.000 0.991 187 S CB -1.027 62.231 63.200 0.096 0.000 0.823 187 S HN 0.062 nan 8.310 nan 0.000 0.469 188 V N 1.863 121.548 119.914 -0.381 0.000 2.358 188 V HA -0.088 4.032 4.120 -0.000 0.000 0.246 188 V C 2.620 178.543 176.094 -0.284 0.000 1.047 188 V CA 2.088 64.088 62.300 -0.500 0.000 1.035 188 V CB -0.742 30.586 31.823 -0.825 0.000 0.658 188 V HN 0.589 nan 8.190 nan 0.000 0.452 189 M N -0.376 119.124 119.600 -0.167 0.000 2.086 189 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 189 M C 2.087 178.399 176.300 0.020 0.000 1.067 189 M CA 2.082 57.343 55.300 -0.066 0.000 1.116 189 M CB -0.217 32.327 32.600 -0.093 0.000 1.348 189 M HN 0.239 nan 8.290 nan 0.000 0.407 190 I N -0.484 120.134 120.570 0.080 0.000 2.226 190 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 190 I C 2.154 178.320 176.117 0.082 0.000 1.100 190 I CA 1.531 62.906 61.300 0.124 0.000 1.374 190 I CB -0.752 37.349 38.000 0.168 0.000 1.057 190 I HN 0.338 nan 8.210 nan 0.000 0.413 191 T N 0.775 115.339 114.554 0.017 0.000 2.720 191 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 191 T C 2.058 176.768 174.700 0.017 0.000 1.037 191 T CA 1.524 63.619 62.100 -0.008 0.000 1.144 191 T CB -0.306 68.508 68.868 -0.090 0.000 0.864 191 T HN 0.492 nan 8.240 nan 0.000 0.444 192 A N 0.823 123.644 122.820 0.001 0.000 1.933 192 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 192 A C 2.568 180.213 177.584 0.102 0.000 1.175 192 A CA 1.310 53.383 52.037 0.060 0.000 0.628 192 A CB -0.928 18.120 19.000 0.081 0.000 0.814 192 A HN 0.370 nan 8.150 nan 0.000 0.444 193 V N 0.370 120.347 119.914 0.105 0.000 2.358 193 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 193 V C 2.542 178.752 176.094 0.193 0.000 1.047 193 V CA 1.807 64.185 62.300 0.130 0.000 1.035 193 V CB -0.746 31.153 31.823 0.126 0.000 0.658 193 V HN 0.571 nan 8.190 nan 0.000 0.452 194 L N -0.803 120.555 121.223 0.224 0.000 2.046 194 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 194 L C 2.449 179.474 176.870 0.258 0.000 1.077 194 L CA 1.552 56.582 54.840 0.317 0.000 0.747 194 L CB -0.672 41.478 42.059 0.151 0.000 0.896 194 L HN 0.315 nan 8.230 nan 0.000 0.432 195 L N -0.497 120.828 121.223 0.170 0.000 2.046 195 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 195 L C 2.604 179.585 176.870 0.185 0.000 1.077 195 L CA 0.909 55.852 54.840 0.172 0.000 0.747 195 L CB -0.397 41.745 42.059 0.138 0.000 0.896 195 L HN 0.218 nan 8.230 nan 0.000 0.432 196 L N -0.486 120.835 121.223 0.164 0.000 2.079 196 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 196 L C 2.197 179.155 176.870 0.146 0.000 1.081 196 L CA 1.758 56.680 54.840 0.136 0.000 0.752 196 L CB -0.172 41.953 42.059 0.111 0.000 0.896 196 L HN 0.135 nan 8.230 nan 0.000 0.433 197 L N -1.680 119.661 121.223 0.197 0.000 2.202 197 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 197 L C 2.540 179.617 176.870 0.344 0.000 1.083 197 L CA 0.965 55.928 54.840 0.205 0.000 0.790 197 L CB -0.579 41.522 42.059 0.069 0.000 0.942 197 L HN 0.405 nan 8.230 nan 0.000 0.452 198 S N -0.104 115.843 115.700 0.413 0.000 2.388 198 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 198 S C 1.968 176.773 174.600 0.341 0.000 1.034 198 S CA 0.302 58.738 58.200 0.393 0.000 0.963 198 S CB -0.618 62.716 63.200 0.224 0.000 0.827 198 S HN 0.260 nan 8.310 nan 0.000 0.481 199 L N 1.800 123.182 121.223 0.265 0.000 2.079 199 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 199 L C -0.764 176.099 176.870 -0.011 0.000 1.081 199 L CA 1.233 56.107 54.840 0.056 0.000 0.752 199 L CB -1.397 40.700 42.059 0.064 0.000 0.896 199 L HN 0.295 nan 8.230 nan 0.000 0.433 200 P HA -0.110 nan 4.420 nan 0.000 0.220 200 P C 1.825 179.129 177.300 0.005 0.000 1.148 200 P CA 0.949 64.066 63.100 0.027 0.000 0.803 200 P CB 0.145 31.872 31.700 0.046 0.000 0.782 201 V N -0.457 119.485 119.914 0.046 0.000 2.379 201 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 201 V C 2.330 178.381 176.094 -0.072 0.000 1.044 201 V CA 1.352 63.661 62.300 0.015 0.000 1.036 201 V CB -1.199 30.714 31.823 0.150 0.000 0.664 201 V HN 0.061 nan 8.190 nan 0.000 0.453 202 L N 1.227 122.362 121.223 -0.146 0.000 2.012 202 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 202 L C 2.482 179.207 176.870 -0.243 0.000 1.073 202 L CA 2.482 57.110 54.840 -0.353 0.000 0.748 202 L CB -0.934 40.601 42.059 -0.872 0.000 0.891 202 L HN 0.212 nan 8.230 nan 0.000 0.431 203 A N -0.385 122.337 122.820 -0.163 0.000 1.908 203 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 203 A C 2.466 180.057 177.584 0.011 0.000 1.181 203 A CA 2.136 54.156 52.037 -0.029 0.000 0.627 203 A CB -1.289 17.738 19.000 0.045 0.000 0.818 203 A HN 0.642 nan 8.150 nan 0.000 0.445 204 A N -0.537 122.261 122.820 -0.037 0.000 1.858 204 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 204 A C 2.476 180.020 177.584 -0.067 0.000 1.190 204 A CA 2.048 54.052 52.037 -0.056 0.000 0.617 204 A CB -1.507 17.444 19.000 -0.082 0.000 0.827 204 A HN 0.779 nan 8.150 nan 0.000 0.443 205 G N 0.725 109.484 108.800 -0.068 0.000 2.446 205 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 205 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 205 G C 1.522 176.495 174.900 0.122 0.000 1.168 205 G CA 1.329 46.426 45.100 -0.004 0.000 0.771 205 G HN 0.873 nan 8.290 nan 0.000 0.551 206 I N -1.839 118.745 120.570 0.024 0.000 2.676 206 I HA 0.032 4.202 4.170 -0.000 0.000 0.259 206 I C 2.280 178.395 176.117 -0.002 0.000 1.194 206 I CA 1.478 62.786 61.300 0.014 0.000 1.473 206 I CB -0.592 37.289 38.000 -0.199 0.000 1.096 206 I HN -0.071 nan 8.210 nan 0.000 0.443 207 T N 1.470 116.053 114.554 0.049 0.000 2.857 207 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 207 T C 1.904 176.626 174.700 0.036 0.000 1.048 207 T CA 1.580 63.740 62.100 0.101 0.000 1.139 207 T CB -0.159 68.778 68.868 0.115 0.000 0.874 207 T HN 0.331 nan 8.240 nan 0.000 0.455 208 M N 0.302 119.878 119.600 -0.039 0.000 2.229 208 M HA 0.040 4.520 4.480 -0.000 0.000 0.264 208 M C 2.174 178.566 176.300 0.153 0.000 1.063 208 M CA 1.016 56.207 55.300 -0.183 0.000 1.114 208 M CB -0.339 31.829 32.600 -0.719 0.000 1.387 208 M HN 0.167 nan 8.290 nan 0.000 0.420 209 L N 0.484 121.908 121.223 0.335 0.000 2.093 209 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 209 L C 2.125 179.069 176.870 0.123 0.000 1.085 209 L CA 1.493 56.523 54.840 0.316 0.000 0.755 209 L CB -0.627 41.533 42.059 0.169 0.000 0.904 209 L HN 0.193 nan 8.230 nan 0.000 0.435 210 L N -0.638 120.616 121.223 0.052 0.000 2.046 210 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 210 L C 2.586 179.490 176.870 0.056 0.000 1.077 210 L CA 2.508 57.345 54.840 -0.006 0.000 0.747 210 L CB -0.957 41.077 42.059 -0.043 0.000 0.896 210 L HN 0.616 nan 8.230 nan 0.000 0.432 211 T N -4.747 109.870 114.554 0.105 0.000 2.857 211 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 211 T C 1.649 176.418 174.700 0.115 0.000 1.048 211 T CA 1.162 63.338 62.100 0.127 0.000 1.139 211 T CB -0.603 68.381 68.868 0.193 0.000 0.874 211 T HN 0.261 nan 8.240 nan 0.000 0.455 212 D N 1.300 121.786 120.400 0.143 0.000 2.178 212 D HA 0.021 4.661 4.640 -0.000 0.000 0.201 212 D C 2.450 178.794 176.300 0.074 0.000 0.980 212 D CA 0.828 54.892 54.000 0.105 0.000 0.842 212 D CB -0.148 40.744 40.800 0.154 0.000 0.948 212 D HN 0.440 nan 8.370 nan 0.000 0.472 213 R N -0.304 120.239 120.500 0.071 0.000 2.161 213 R HA 0.149 4.489 4.340 -0.000 0.000 0.213 213 R C 1.083 177.410 176.300 0.045 0.000 1.055 213 R CA 0.707 56.837 56.100 0.049 0.000 0.996 213 R CB 0.203 30.521 30.300 0.029 0.000 0.901 213 R HN 0.177 nan 8.270 nan 0.000 0.456 214 N N -0.805 117.925 118.700 0.050 0.000 2.211 214 N HA 0.112 4.852 4.740 -0.000 0.000 0.216 214 N C 0.695 176.234 175.510 0.048 0.000 1.240 214 N CA 0.251 53.332 53.050 0.052 0.000 0.895 214 N CB 1.158 39.684 38.487 0.065 0.000 1.102 214 N HN 0.095 nan 8.380 nan 0.000 0.498 215 L N 0.821 122.072 121.223 0.047 0.000 3.069 215 L HA 0.289 4.629 4.340 -0.000 0.000 0.271 215 L C -0.177 176.701 176.870 0.014 0.000 1.201 215 L CA -0.032 54.829 54.840 0.036 0.000 1.015 215 L CB 0.054 42.142 42.059 0.049 0.000 1.371 215 L HN -0.055 nan 8.230 nan 0.000 0.574 216 N N 0.684 119.389 118.700 0.010 0.000 2.741 216 N HA -0.137 4.603 4.740 -0.000 0.000 0.250 216 N C 0.505 175.983 175.510 -0.054 0.000 1.115 216 N CA 1.330 54.371 53.050 -0.014 0.000 0.724 216 N CB -1.344 37.135 38.487 -0.014 0.000 1.090 216 N HN 0.552 nan 8.380 nan 0.000 0.558 217 T N -2.551 111.966 114.554 -0.062 0.000 2.816 217 T HA 0.532 4.882 4.350 -0.000 0.000 0.282 217 T C 1.149 175.732 174.700 -0.195 0.000 0.993 217 T CA 0.274 62.260 62.100 -0.191 0.000 0.994 217 T CB 1.651 70.398 68.868 -0.202 0.000 1.025 217 T HN 0.241 nan 8.240 nan 0.000 0.529 218 T N -1.652 112.690 114.554 -0.353 0.000 3.633 218 T HA 0.320 4.670 4.350 -0.000 0.000 0.278 218 T C 0.600 175.135 174.700 -0.275 0.000 0.991 218 T CA -0.657 61.310 62.100 -0.222 0.000 1.036 218 T CB -0.952 67.829 68.868 -0.145 0.000 1.148 218 T HN 0.467 nan 8.240 nan 0.000 0.501 219 F N 0.774 120.519 119.950 -0.341 0.000 2.161 219 F HA 0.090 4.617 4.527 -0.000 0.000 0.300 219 F C 1.236 176.716 175.800 -0.533 0.000 1.089 219 F CA 1.182 58.838 58.000 -0.573 0.000 1.282 219 F CB -0.320 38.045 39.000 -1.058 0.000 1.010 219 F HN 0.358 nan 8.300 nan 0.000 0.485 220 F N -1.592 118.490 119.950 0.220 0.000 2.688 220 F HA 0.220 4.747 4.527 -0.000 0.000 0.310 220 F C 0.060 175.904 175.800 0.073 0.000 1.098 220 F CA -0.934 57.147 58.000 0.134 0.000 1.228 220 F CB -0.231 38.836 39.000 0.111 0.000 1.042 220 F HN -0.274 nan 8.300 nan 0.000 0.557 221 D N 1.573 122.057 120.400 0.140 0.000 2.392 221 D HA 0.270 4.910 4.640 -0.000 0.000 0.228 221 D C -2.023 174.310 176.300 0.055 0.000 1.074 221 D CA -2.549 51.503 54.000 0.087 0.000 0.838 221 D CB 1.986 42.814 40.800 0.047 0.000 1.067 221 D HN -0.102 nan 8.370 nan 0.000 0.511 222 P HA -0.127 nan 4.420 nan 0.000 0.218 222 P C 1.001 178.318 177.300 0.027 0.000 1.146 222 P CA 1.215 64.345 63.100 0.049 0.000 0.813 222 P CB 0.246 31.978 31.700 0.054 0.000 0.778 223 A N -0.329 122.504 122.820 0.022 0.000 2.024 223 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 223 A C 2.206 179.786 177.584 -0.006 0.000 1.164 223 A CA 1.925 53.968 52.037 0.009 0.000 0.643 223 A CB -1.558 17.448 19.000 0.010 0.000 0.806 223 A HN 0.329 nan 8.150 nan 0.000 0.451 224 G N -2.671 106.118 108.800 -0.018 0.000 3.233 224 G HA2 0.409 4.369 3.960 -0.000 0.000 0.234 224 G HA3 0.409 4.369 3.960 -0.000 0.000 0.234 224 G C 0.993 175.866 174.900 -0.045 0.000 1.137 224 G CA 0.459 45.532 45.100 -0.044 0.000 0.763 224 G HN 1.587 nan 8.290 nan 0.000 0.549 225 G N -1.096 107.694 108.800 -0.017 0.000 2.157 225 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.239 225 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.239 225 G C 0.781 175.685 174.900 0.007 0.000 0.982 225 G CA 0.173 45.270 45.100 -0.006 0.000 0.650 225 G HN 0.973 nan 8.290 nan 0.000 0.527 226 G N -0.869 107.937 108.800 0.009 0.000 2.563 226 G HA2 0.512 4.472 3.960 -0.000 0.000 0.283 226 G HA3 0.512 4.472 3.960 -0.000 0.000 0.283 226 G C -0.755 174.214 174.900 0.115 0.000 1.309 226 G CA 0.554 45.682 45.100 0.047 0.000 1.022 226 G HN 0.478 nan 8.290 nan 0.000 0.501 227 D N -1.458 119.065 120.400 0.204 0.000 2.890 227 D HA 0.342 4.982 4.640 -0.000 0.000 0.233 227 D C -2.081 174.407 176.300 0.312 0.000 1.306 227 D CA -1.636 52.495 54.000 0.218 0.000 0.929 227 D CB 2.232 43.148 40.800 0.194 0.000 1.512 227 D HN -0.052 nan 8.370 nan 0.000 0.568 228 P HA -0.044 nan 4.420 nan 0.000 0.220 228 P C 1.517 178.818 177.300 0.003 0.000 1.148 228 P CA 0.439 63.602 63.100 0.103 0.000 0.803 228 P CB 0.327 32.048 31.700 0.035 0.000 0.782 229 I N -1.320 119.277 120.570 0.045 0.000 2.614 229 I HA -0.130 4.040 4.170 -0.000 0.000 0.258 229 I C 2.060 178.226 176.117 0.082 0.000 1.189 229 I CA 0.872 62.167 61.300 -0.008 0.000 1.462 229 I CB -1.596 36.428 38.000 0.040 0.000 1.092 229 I HN 0.012 nan 8.210 nan 0.000 0.442 230 L N 0.696 122.065 121.223 0.243 0.000 2.046 230 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 230 L C 2.605 179.604 176.870 0.215 0.000 1.077 230 L CA 1.839 56.888 54.840 0.350 0.000 0.747 230 L CB -1.201 41.145 42.059 0.477 0.000 0.896 230 L HN 0.255 nan 8.230 nan 0.000 0.432 231 Y N 0.234 120.412 120.300 -0.204 0.000 2.165 231 Y HA -0.308 4.242 4.550 -0.000 0.000 0.286 231 Y C 2.549 178.263 175.900 -0.310 0.000 1.155 231 Y CA 2.239 59.944 58.100 -0.659 0.000 1.164 231 Y CB -0.232 37.360 38.460 -1.446 0.000 0.978 231 Y HN 0.403 nan 8.280 nan 0.000 0.513 232 Q N -1.056 118.585 119.800 -0.265 0.000 2.096 232 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 232 Q C 2.065 178.073 176.000 0.014 0.000 0.982 232 Q CA 1.596 57.270 55.803 -0.214 0.000 0.850 232 Q CB -0.403 28.148 28.738 -0.312 0.000 0.901 232 Q HN 0.634 nan 8.270 nan 0.000 0.422 233 H N 0.597 119.735 119.070 0.114 0.000 2.321 233 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 233 H C 2.262 177.566 175.328 -0.040 0.000 1.087 233 H CA 1.190 57.353 56.048 0.192 0.000 1.319 233 H CB -0.193 29.693 29.762 0.208 0.000 1.379 233 H HN 0.212 nan 8.280 nan 0.000 0.501 234 L N -0.530 120.688 121.223 -0.009 0.000 2.046 234 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 234 L C 2.550 179.301 176.870 -0.199 0.000 1.077 234 L CA 1.099 55.858 54.840 -0.134 0.000 0.747 234 L CB -0.544 41.420 42.059 -0.158 0.000 0.896 234 L HN 0.101 nan 8.230 nan 0.000 0.432 235 F N -0.191 119.449 119.950 -0.518 0.000 2.084 235 F HA -0.219 4.308 4.527 -0.000 0.000 0.296 235 F C 2.060 177.621 175.800 -0.399 0.000 1.111 235 F CA 1.488 59.130 58.000 -0.597 0.000 1.224 235 F CB -0.419 38.006 39.000 -0.959 0.000 0.991 235 F HN -0.046 nan 8.300 nan 0.000 0.471 236 W N -1.029 120.305 121.300 0.057 0.000 2.465 236 W HA -0.129 4.531 4.660 -0.000 0.000 0.268 236 W C 2.233 178.698 176.519 -0.090 0.000 1.242 236 W CA 0.587 57.935 57.345 0.004 0.000 1.248 236 W CB -0.654 28.938 29.460 0.220 0.000 1.118 236 W HN 0.101 nan 8.180 nan 0.000 0.587 237 F N -0.164 119.674 119.950 -0.187 0.000 2.216 237 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 237 F C 2.132 177.828 175.800 -0.174 0.000 1.085 237 F CA 1.626 59.396 58.000 -0.383 0.000 1.326 237 F CB -0.422 38.212 39.000 -0.610 0.000 1.027 237 F HN -0.028 nan 8.300 nan 0.000 0.497 238 F N 0.122 119.894 119.950 -0.297 0.000 2.262 238 F HA 0.238 4.765 4.527 -0.000 0.000 0.292 238 F C 2.242 177.786 175.800 -0.427 0.000 1.081 238 F CA 1.250 59.033 58.000 -0.363 0.000 1.355 238 F CB -1.184 37.579 39.000 -0.395 0.000 1.069 238 F HN -0.121 nan 8.300 nan 0.000 0.506 239 G N -0.323 107.912 108.800 -0.941 0.000 2.476 239 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.218 239 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.218 239 G C 1.487 176.144 174.900 -0.405 0.000 1.164 239 G CA 1.506 46.091 45.100 -0.858 0.000 0.768 239 G HN 0.559 nan 8.290 nan 0.000 0.560 240 H N 1.661 120.673 119.070 -0.096 0.000 2.299 240 H HA 0.019 4.575 4.556 -0.000 0.000 0.302 240 H C 0.212 175.469 175.328 -0.119 0.000 1.078 240 H CA 1.514 57.578 56.048 0.027 0.000 1.323 240 H CB -0.661 29.201 29.762 0.168 0.000 1.381 240 H HN 0.266 nan 8.280 nan 0.000 0.498 241 P HA -0.168 nan 4.420 nan 0.000 0.217 241 P C 1.229 178.251 177.300 -0.463 0.000 1.148 241 P CA 1.950 64.740 63.100 -0.517 0.000 0.828 241 P CB 0.028 31.183 31.700 -0.909 0.000 0.783 242 E N 0.028 119.803 120.200 -0.709 0.000 2.118 242 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 242 E C 1.713 178.025 176.600 -0.479 0.000 0.992 242 E CA 1.544 57.550 56.400 -0.657 0.000 0.804 242 E CB -1.224 27.857 29.700 -1.031 0.000 0.741 242 E HN 0.141 nan 8.360 nan 0.000 0.458 243 V N -1.224 118.363 119.914 -0.546 0.000 2.626 243 V HA -0.170 3.950 4.120 -0.000 0.000 0.252 243 V C 1.836 177.571 176.094 -0.598 0.000 1.067 243 V CA 1.613 63.575 62.300 -0.563 0.000 1.081 243 V CB -1.056 30.415 31.823 -0.587 0.000 0.686 243 V HN 0.236 nan 8.190 nan 0.000 0.468 244 Y N 0.243 120.366 120.300 -0.295 0.000 2.395 244 Y HA 0.229 4.779 4.550 -0.000 0.000 0.293 244 Y C 2.294 178.076 175.900 -0.196 0.000 1.123 244 Y CA 1.327 59.319 58.100 -0.179 0.000 1.227 244 Y CB -0.389 38.017 38.460 -0.089 0.000 1.012 244 Y HN 0.199 nan 8.280 nan 0.000 0.552 245 I N -0.589 119.903 120.570 -0.129 0.000 2.394 245 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 245 I C 1.828 177.849 176.117 -0.161 0.000 1.136 245 I CA 1.198 62.425 61.300 -0.122 0.000 1.425 245 I CB -0.240 37.684 38.000 -0.127 0.000 1.079 245 I HN 0.206 nan 8.210 nan 0.000 0.425 246 L N -0.488 120.599 121.223 -0.227 0.000 2.217 246 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 246 L C 2.227 178.977 176.870 -0.199 0.000 1.107 246 L CA 0.850 55.558 54.840 -0.221 0.000 0.783 246 L CB -0.098 41.789 42.059 -0.285 0.000 0.919 246 L HN 0.239 nan 8.230 nan 0.000 0.442 247 I N -1.219 119.190 120.570 -0.268 0.000 3.526 247 I HA -0.037 4.133 4.170 -0.000 0.000 0.294 247 I C 1.974 177.748 176.117 -0.572 0.000 1.229 247 I CA 0.764 61.829 61.300 -0.392 0.000 1.408 247 I CB 0.213 37.925 38.000 -0.479 0.000 1.127 247 I HN 0.007 nan 8.210 nan 0.000 0.439 248 L N 1.256 122.256 121.223 -0.372 0.000 2.012 248 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 248 L C -0.455 176.393 176.870 -0.037 0.000 1.073 248 L CA 1.793 56.512 54.840 -0.202 0.000 0.748 248 L CB -1.750 40.291 42.059 -0.029 0.000 0.891 248 L HN 0.188 nan 8.230 nan 0.000 0.431 249 P HA -0.106 nan 4.420 nan 0.000 0.220 249 P C 1.486 178.888 177.300 0.169 0.000 1.148 249 P CA 1.499 64.650 63.100 0.084 0.000 0.803 249 P CB -0.136 31.597 31.700 0.056 0.000 0.782 250 G N -1.118 107.695 108.800 0.021 0.000 2.421 250 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 250 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 250 G C 1.449 176.354 174.900 0.009 0.000 1.171 250 G CA 0.258 45.340 45.100 -0.030 0.000 0.775 250 G HN 0.225 nan 8.290 nan 0.000 0.543 251 F N 1.341 121.302 119.950 0.019 0.000 2.126 251 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 251 F C 3.018 178.974 175.800 0.260 0.000 1.096 251 F CA 0.340 58.450 58.000 0.184 0.000 1.255 251 F CB -0.170 39.017 39.000 0.311 0.000 0.997 251 F HN 0.276 nan 8.300 nan 0.000 0.479 252 G N 0.222 109.306 108.800 0.473 0.000 2.421 252 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 252 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 252 G C 1.583 176.771 174.900 0.480 0.000 1.171 252 G CA 0.735 46.152 45.100 0.528 0.000 0.775 252 G HN 0.214 nan 8.290 nan 0.000 0.543 253 M N 0.117 119.882 119.600 0.275 0.000 2.175 253 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 253 M C 2.465 178.777 176.300 0.019 0.000 1.063 253 M CA 0.859 56.199 55.300 0.068 0.000 1.119 253 M CB -0.323 32.209 32.600 -0.112 0.000 1.377 253 M HN 0.100 nan 8.290 nan 0.000 0.415 254 I N 0.059 120.533 120.570 -0.160 0.000 2.226 254 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 254 I C 2.453 178.423 176.117 -0.246 0.000 1.100 254 I CA 1.453 62.482 61.300 -0.452 0.000 1.374 254 I CB -1.299 36.020 38.000 -1.135 0.000 1.057 254 I HN 0.235 nan 8.210 nan 0.000 0.413 255 S N -0.524 115.266 115.700 0.151 0.000 2.368 255 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 255 S C 1.897 176.664 174.600 0.278 0.000 1.030 255 S CA 1.027 59.465 58.200 0.397 0.000 0.999 255 S CB -0.420 63.126 63.200 0.576 0.000 0.844 255 S HN 0.509 nan 8.310 nan 0.000 0.459 256 H N 0.324 119.502 119.070 0.179 0.000 2.357 256 H HA 0.047 4.603 4.556 -0.000 0.000 0.301 256 H C 2.158 177.464 175.328 -0.036 0.000 1.082 256 H CA 1.384 57.527 56.048 0.157 0.000 1.342 256 H CB -0.157 29.779 29.762 0.291 0.000 1.389 256 H HN 0.342 nan 8.280 nan 0.000 0.511 257 I N 0.301 120.849 120.570 -0.036 0.000 2.179 257 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 257 I C 2.536 178.654 176.117 0.001 0.000 1.088 257 I CA 0.734 61.933 61.300 -0.168 0.000 1.357 257 I CB -0.185 37.697 38.000 -0.196 0.000 1.051 257 I HN 0.007 nan 8.210 nan 0.000 0.409 258 V N 0.470 120.366 119.914 -0.031 0.000 2.343 258 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 258 V C 2.508 178.626 176.094 0.040 0.000 1.051 258 V CA 2.483 64.782 62.300 -0.002 0.000 1.036 258 V CB -0.951 30.857 31.823 -0.025 0.000 0.654 258 V HN 0.474 nan 8.190 nan 0.000 0.451 259 T N -1.126 113.465 114.554 0.061 0.000 2.708 259 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 259 T C 1.733 176.409 174.700 -0.041 0.000 1.037 259 T CA 2.095 64.221 62.100 0.042 0.000 1.146 259 T CB -0.382 68.521 68.868 0.058 0.000 0.865 259 T HN 0.538 nan 8.240 nan 0.000 0.435 260 Y N 0.774 120.949 120.300 -0.208 0.000 2.070 260 Y HA -0.220 4.330 4.550 -0.000 0.000 0.280 260 Y C 1.866 177.469 175.900 -0.496 0.000 1.148 260 Y CA 1.426 59.283 58.100 -0.405 0.000 1.125 260 Y CB -0.394 37.669 38.460 -0.662 0.000 0.975 260 Y HN 0.246 nan 8.280 nan 0.000 0.492 261 Y N -1.026 119.261 120.300 -0.022 0.000 2.578 261 Y HA -0.012 4.538 4.550 -0.000 0.000 0.297 261 Y C 2.182 177.975 175.900 -0.180 0.000 1.176 261 Y CA 0.891 58.925 58.100 -0.109 0.000 1.315 261 Y CB -0.198 38.189 38.460 -0.121 0.000 1.031 261 Y HN 0.028 nan 8.280 nan 0.000 0.524 262 S N -1.046 114.608 115.700 -0.077 0.000 2.556 262 S HA 0.200 4.670 4.470 -0.000 0.000 0.216 262 S C 1.732 176.261 174.600 -0.118 0.000 0.970 262 S CA 0.560 58.708 58.200 -0.086 0.000 0.912 262 S CB -0.091 63.086 63.200 -0.039 0.000 0.790 262 S HN 0.646 nan 8.310 nan 0.000 0.504 263 G N 1.690 110.371 108.800 -0.197 0.000 2.198 263 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 263 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 263 G C -0.098 174.701 174.900 -0.168 0.000 1.025 263 G CA 0.235 45.200 45.100 -0.226 0.000 0.769 263 G HN 0.357 nan 8.290 nan 0.000 0.507 264 K N -0.200 120.118 120.400 -0.137 0.000 2.098 264 K HA 0.563 4.883 4.320 -0.000 0.000 0.258 264 K C 1.450 178.006 176.600 -0.073 0.000 0.973 264 K CA -0.273 55.972 56.287 -0.069 0.000 0.898 264 K CB 0.976 33.472 32.500 -0.006 0.000 1.057 264 K HN 0.293 nan 8.250 nan 0.000 0.447 265 K N 1.023 121.400 120.400 -0.038 0.000 2.400 265 K HA 0.038 4.358 4.320 -0.000 0.000 0.194 265 K C -0.387 176.218 176.600 0.008 0.000 1.033 265 K CA 0.523 56.795 56.287 -0.024 0.000 1.021 265 K CB 0.182 32.672 32.500 -0.017 0.000 0.808 265 K HN 0.633 nan 8.250 nan 0.000 0.505 266 E N 0.507 120.723 120.200 0.027 0.000 2.401 266 E HA 0.329 4.679 4.350 -0.000 0.000 0.280 266 E C -3.097 173.566 176.600 0.106 0.000 1.039 266 E CA -2.365 54.070 56.400 0.058 0.000 0.814 266 E CB 1.570 31.293 29.700 0.040 0.000 1.275 266 E HN -0.169 nan 8.360 nan 0.000 0.448 267 P HA 0.138 nan 4.420 nan 0.000 0.277 267 P C -0.700 176.742 177.300 0.237 0.000 1.240 267 P CA -0.439 62.794 63.100 0.222 0.000 0.798 267 P CB 0.532 32.383 31.700 0.253 0.000 0.979 268 F N 1.756 121.783 119.950 0.127 0.000 2.529 268 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 268 F C 1.358 177.212 175.800 0.090 0.000 1.102 268 F CA 1.225 59.286 58.000 0.103 0.000 1.271 268 F CB -0.105 38.957 39.000 0.102 0.000 1.120 268 F HN 0.698 nan 8.300 nan 0.000 0.579 269 G N 6.110 114.579 108.800 -0.552 0.000 2.372 269 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.297 269 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.297 269 G C 0.387 175.269 174.900 -0.030 0.000 1.005 269 G CA 0.701 45.610 45.100 -0.320 0.000 1.173 269 G HN 1.062 nan 8.290 nan 0.000 0.511 270 Y N 0.578 120.824 120.300 -0.090 0.000 2.069 270 Y HA -0.279 4.271 4.550 -0.000 0.000 0.278 270 Y C 2.655 178.527 175.900 -0.046 0.000 1.175 270 Y CA 2.672 60.760 58.100 -0.020 0.000 1.134 270 Y CB -0.080 38.389 38.460 0.015 0.000 0.965 270 Y HN 0.417 nan 8.280 nan 0.000 0.498 271 M N -0.130 119.502 119.600 0.054 0.000 2.213 271 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 271 M C 2.393 178.624 176.300 -0.116 0.000 1.062 271 M CA 1.408 56.656 55.300 -0.087 0.000 1.105 271 M CB -1.873 30.705 32.600 -0.037 0.000 1.385 271 M HN 0.508 nan 8.290 nan 0.000 0.417 272 G N -0.323 108.434 108.800 -0.073 0.000 2.422 272 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 272 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 272 G C 1.533 176.471 174.900 0.062 0.000 1.140 272 G CA 0.368 45.477 45.100 0.014 0.000 0.775 272 G HN 0.261 nan 8.290 nan 0.000 0.545 273 M N 0.476 120.023 119.600 -0.088 0.000 2.200 273 M HA 0.036 4.516 4.480 -0.000 0.000 0.265 273 M C 2.723 178.885 176.300 -0.231 0.000 1.066 273 M CA 0.688 55.898 55.300 -0.149 0.000 1.127 273 M CB -0.936 31.574 32.600 -0.151 0.000 1.379 273 M HN 0.106 nan 8.290 nan 0.000 0.420 274 V N -1.004 118.654 119.914 -0.425 0.000 2.307 274 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 274 V C 2.091 177.980 176.094 -0.342 0.000 1.045 274 V CA 1.799 63.707 62.300 -0.653 0.000 1.024 274 V CB -0.836 30.348 31.823 -1.065 0.000 0.651 274 V HN 0.630 nan 8.190 nan 0.000 0.449 275 W N 1.263 122.366 121.300 -0.328 0.000 2.335 275 W HA -0.234 4.426 4.660 -0.000 0.000 0.311 275 W C 2.424 178.869 176.519 -0.122 0.000 1.213 275 W CA 2.282 59.512 57.345 -0.193 0.000 1.274 275 W CB -0.438 28.932 29.460 -0.150 0.000 1.148 275 W HN 0.186 nan 8.180 nan 0.000 0.498 276 A N 0.439 123.170 122.820 -0.149 0.000 1.902 276 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 276 A C 2.066 179.473 177.584 -0.294 0.000 1.181 276 A CA 2.237 54.053 52.037 -0.370 0.000 0.623 276 A CB -0.908 18.031 19.000 -0.103 0.000 0.818 276 A HN 0.440 nan 8.150 nan 0.000 0.443 277 M N -1.376 118.130 119.600 -0.156 0.000 2.175 277 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 277 M C 2.400 178.667 176.300 -0.055 0.000 1.063 277 M CA 1.414 56.698 55.300 -0.026 0.000 1.119 277 M CB -0.402 32.228 32.600 0.051 0.000 1.377 277 M HN 0.421 nan 8.290 nan 0.000 0.415 278 M N -0.669 118.850 119.600 -0.135 0.000 2.132 278 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 278 M C 2.264 178.504 176.300 -0.100 0.000 1.065 278 M CA 1.414 56.669 55.300 -0.074 0.000 1.122 278 M CB -0.405 32.146 32.600 -0.082 0.000 1.365 278 M HN 0.204 nan 8.290 nan 0.000 0.411 279 S N 0.960 116.463 115.700 -0.329 0.000 2.356 279 S HA -0.090 4.380 4.470 -0.000 0.000 0.223 279 S C 1.807 176.329 174.600 -0.131 0.000 1.032 279 S CA 1.164 59.177 58.200 -0.312 0.000 1.005 279 S CB -0.377 62.352 63.200 -0.784 0.000 0.867 279 S HN 0.375 nan 8.310 nan 0.000 0.449 280 I N 1.431 121.899 120.570 -0.170 0.000 2.226 280 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 280 I C 2.660 178.676 176.117 -0.169 0.000 1.100 280 I CA 1.191 62.401 61.300 -0.150 0.000 1.374 280 I CB -0.766 37.231 38.000 -0.006 0.000 1.057 280 I HN 0.379 nan 8.210 nan 0.000 0.413 281 G N 0.465 109.252 108.800 -0.022 0.000 2.418 281 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 281 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 281 G C 1.567 176.565 174.900 0.163 0.000 1.158 281 G CA 0.528 45.668 45.100 0.067 0.000 0.771 281 G HN 0.348 nan 8.290 nan 0.000 0.545 282 F N 1.208 121.187 119.950 0.049 0.000 2.084 282 F HA 0.118 4.645 4.527 -0.000 0.000 0.296 282 F C 2.425 178.290 175.800 0.107 0.000 1.111 282 F CA 1.042 59.107 58.000 0.109 0.000 1.224 282 F CB -0.391 38.626 39.000 0.029 0.000 0.991 282 F HN 0.025 nan 8.300 nan 0.000 0.471 283 L N 0.354 121.437 121.223 -0.233 0.000 2.127 283 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 283 L C 2.670 179.348 176.870 -0.319 0.000 1.089 283 L CA 1.254 55.906 54.840 -0.315 0.000 0.757 283 L CB -1.506 40.461 42.059 -0.154 0.000 0.899 283 L HN 0.402 nan 8.230 nan 0.000 0.434 284 G N -1.001 107.589 108.800 -0.350 0.000 2.535 284 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 284 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 284 G C 1.187 175.940 174.900 -0.246 0.000 1.122 284 G CA 0.288 45.187 45.100 -0.334 0.000 0.769 284 G HN 0.296 nan 8.290 nan 0.000 0.549 285 F N 0.018 119.846 119.950 -0.204 0.000 2.749 285 F HA 0.305 4.832 4.527 -0.000 0.000 0.300 285 F C 1.858 177.679 175.800 0.035 0.000 1.103 285 F CA -0.112 57.768 58.000 -0.201 0.000 1.342 285 F CB 0.434 39.301 39.000 -0.221 0.000 1.098 285 F HN 0.214 nan 8.300 nan 0.000 0.586 286 I N -1.898 118.774 120.570 0.171 0.000 3.707 286 I HA 0.262 4.432 4.170 -0.000 0.000 0.330 286 I C 0.360 176.630 176.117 0.256 0.000 1.572 286 I CA -0.002 61.496 61.300 0.330 0.000 1.104 286 I CB 0.170 38.248 38.000 0.131 0.000 1.240 286 I HN -0.094 nan 8.210 nan 0.000 0.475 287 V N -3.442 116.590 119.914 0.197 0.000 3.382 287 V HA 0.204 4.324 4.120 -0.000 0.000 0.296 287 V C 1.718 177.603 176.094 -0.349 0.000 1.529 287 V CA -0.136 62.171 62.300 0.011 0.000 1.048 287 V CB -0.871 30.822 31.823 -0.217 0.000 0.878 287 V HN 0.698 nan 8.190 nan 0.000 0.442 288 W N 2.512 123.732 121.300 -0.134 0.000 2.308 288 W HA -0.144 4.516 4.660 -0.000 0.000 0.301 288 W C 1.870 178.128 176.519 -0.436 0.000 1.220 288 W CA 2.225 59.456 57.345 -0.190 0.000 1.240 288 W CB -1.041 28.478 29.460 0.098 0.000 1.142 288 W HN 0.254 nan 8.180 nan 0.000 0.521 289 A N 1.704 123.553 122.820 -1.618 0.000 2.259 289 A HA -0.203 4.117 4.320 -0.000 0.000 0.212 289 A C 1.802 178.610 177.584 -1.292 0.000 1.178 289 A CA 1.311 52.430 52.037 -1.530 0.000 0.734 289 A CB -1.864 15.718 19.000 -2.364 0.000 0.774 289 A HN 0.821 nan 8.150 nan 0.000 0.481 290 H N -3.160 115.221 119.070 -1.149 0.000 2.563 290 H HA 0.017 4.573 4.556 -0.000 0.000 0.272 290 H C 0.725 175.219 175.328 -1.389 0.000 1.005 290 H CA 0.848 55.904 56.048 -1.652 0.000 1.171 290 H CB -0.317 28.904 29.762 -0.901 0.000 1.351 290 H HN 0.672 nan 8.280 nan 0.000 0.602 291 H N 0.443 119.081 119.070 -0.720 0.000 2.529 291 H HA 0.230 4.786 4.556 -0.000 0.000 0.277 291 H C 0.466 175.428 175.328 -0.609 0.000 1.004 291 H CA 0.198 55.790 56.048 -0.761 0.000 1.167 291 H CB 0.535 29.323 29.762 -1.623 0.000 1.445 291 H HN 0.478 nan 8.280 nan 0.000 0.554 292 M N -0.460 118.801 119.600 -0.565 0.000 2.848 292 M HA 0.107 4.587 4.480 -0.000 0.000 0.420 292 M C 0.111 176.252 176.300 -0.264 0.000 1.304 292 M CA -0.178 54.904 55.300 -0.362 0.000 0.844 292 M CB 0.533 32.953 32.600 -0.300 0.000 1.451 292 M HN -0.084 nan 8.290 nan 0.000 0.511 293 F N 1.033 120.802 119.950 -0.303 0.000 2.408 293 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 293 F C 2.471 178.159 175.800 -0.186 0.000 1.090 293 F CA 1.472 59.341 58.000 -0.218 0.000 1.427 293 F CB -0.702 38.184 39.000 -0.189 0.000 1.070 293 F HN 0.277 nan 8.300 nan 0.000 0.549 294 T N -3.923 110.582 114.554 -0.082 0.000 3.054 294 T HA 0.145 4.495 4.350 -0.000 0.000 0.255 294 T C 1.591 176.286 174.700 -0.009 0.000 1.035 294 T CA 0.663 62.740 62.100 -0.039 0.000 0.941 294 T CB -0.668 68.180 68.868 -0.033 0.000 1.026 294 T HN 0.096 nan 8.240 nan 0.000 0.533 295 V N -1.150 118.750 119.914 -0.024 0.000 3.217 295 V HA 0.510 4.630 4.120 -0.000 0.000 0.264 295 V C 1.500 177.611 176.094 0.030 0.000 1.135 295 V CA 0.543 62.844 62.300 0.002 0.000 1.142 295 V CB -1.300 30.505 31.823 -0.030 0.000 0.754 295 V HN 0.832 nan 8.190 nan 0.000 0.484 296 G N 0.100 108.923 108.800 0.039 0.000 2.392 296 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 296 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 296 G C -0.370 174.571 174.900 0.068 0.000 1.097 296 G CA 0.110 45.241 45.100 0.051 0.000 0.840 296 G HN 0.490 nan 8.290 nan 0.000 0.492 297 M N 0.326 119.974 119.600 0.081 0.000 2.368 297 M HA 0.385 4.865 4.480 -0.000 0.000 0.311 297 M C 0.259 176.616 176.300 0.096 0.000 1.168 297 M CA -0.813 54.552 55.300 0.107 0.000 1.044 297 M CB 0.470 33.154 32.600 0.139 0.000 1.506 297 M HN 0.119 nan 8.290 nan 0.000 0.475 298 D N 0.816 121.276 120.400 0.100 0.000 2.419 298 D HA -0.047 4.593 4.640 -0.000 0.000 0.236 298 D C 0.857 177.206 176.300 0.082 0.000 1.165 298 D CA -0.010 54.038 54.000 0.081 0.000 0.882 298 D CB 0.803 41.651 40.800 0.079 0.000 1.201 298 D HN 0.348 nan 8.370 nan 0.000 0.443 299 V N 1.641 121.587 119.914 0.053 0.000 2.407 299 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 299 V C 1.194 177.318 176.094 0.050 0.000 1.055 299 V CA 1.861 64.182 62.300 0.036 0.000 1.049 299 V CB -0.120 31.711 31.823 0.013 0.000 0.662 299 V HN 0.405 nan 8.190 nan 0.000 0.455 300 D N -0.550 119.886 120.400 0.060 0.000 2.144 300 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 300 D C 2.244 178.617 176.300 0.121 0.000 0.978 300 D CA 1.810 55.852 54.000 0.069 0.000 0.833 300 D CB -0.440 40.391 40.800 0.051 0.000 0.961 300 D HN 0.433 nan 8.370 nan 0.000 0.470 301 T N 0.689 115.336 114.554 0.155 0.000 2.746 301 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 301 T C 1.975 176.910 174.700 0.393 0.000 1.039 301 T CA 0.853 63.115 62.100 0.270 0.000 1.142 301 T CB 0.047 69.081 68.868 0.278 0.000 0.866 301 T HN 0.137 nan 8.240 nan 0.000 0.444 302 R N 0.717 121.377 120.500 0.267 0.000 2.115 302 R HA 0.097 4.437 4.340 -0.000 0.000 0.230 302 R C 2.742 179.104 176.300 0.103 0.000 1.111 302 R CA 1.098 57.338 56.100 0.233 0.000 0.976 302 R CB -0.321 30.009 30.300 0.050 0.000 0.870 302 R HN 0.334 nan 8.270 nan 0.000 0.445 303 A N 0.444 123.301 122.820 0.062 0.000 1.930 303 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 303 A C 1.941 179.529 177.584 0.007 0.000 1.175 303 A CA 1.011 53.051 52.037 0.005 0.000 0.627 303 A CB -0.595 18.412 19.000 0.011 0.000 0.815 303 A HN 0.453 nan 8.150 nan 0.000 0.443 304 Y N -0.456 119.828 120.300 -0.026 0.000 2.114 304 Y HA -0.195 4.355 4.550 -0.000 0.000 0.284 304 Y C 1.858 177.663 175.900 -0.157 0.000 1.143 304 Y CA 1.852 59.869 58.100 -0.138 0.000 1.135 304 Y CB -0.658 37.642 38.460 -0.266 0.000 0.980 304 Y HN 0.231 nan 8.280 nan 0.000 0.499 305 F N 0.327 120.111 119.950 -0.277 0.000 2.269 305 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 305 F C 2.471 178.223 175.800 -0.081 0.000 1.082 305 F CA 1.898 59.728 58.000 -0.282 0.000 1.360 305 F CB -0.965 38.020 39.000 -0.024 0.000 1.041 305 F HN 0.045 nan 8.300 nan 0.000 0.512 306 T N -1.132 113.500 114.554 0.130 0.000 2.737 306 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 306 T C 2.275 176.940 174.700 -0.059 0.000 1.038 306 T CA 1.722 63.853 62.100 0.052 0.000 1.144 306 T CB -0.354 68.452 68.868 -0.104 0.000 0.866 306 T HN 0.175 nan 8.240 nan 0.000 0.434 307 S N 1.561 117.172 115.700 -0.148 0.000 2.356 307 S HA -0.023 4.447 4.470 -0.000 0.000 0.223 307 S C 2.580 177.064 174.600 -0.193 0.000 1.032 307 S CA 0.993 59.102 58.200 -0.153 0.000 1.005 307 S CB -0.605 62.511 63.200 -0.140 0.000 0.867 307 S HN 0.569 nan 8.310 nan 0.000 0.449 308 A N 1.400 123.985 122.820 -0.392 0.000 1.933 308 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 308 A C 2.317 179.797 177.584 -0.173 0.000 1.175 308 A CA 2.031 53.857 52.037 -0.352 0.000 0.628 308 A CB -1.336 17.244 19.000 -0.700 0.000 0.814 308 A HN 0.477 nan 8.150 nan 0.000 0.444 309 T N 0.147 114.635 114.554 -0.111 0.000 2.788 309 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 309 T C 1.875 176.565 174.700 -0.016 0.000 1.044 309 T CA 1.776 63.876 62.100 -0.001 0.000 1.139 309 T CB -0.315 68.633 68.868 0.133 0.000 0.867 309 T HN 0.471 nan 8.240 nan 0.000 0.454 310 M N 0.253 119.836 119.600 -0.028 0.000 2.296 310 M HA 0.080 4.559 4.480 -0.000 0.000 0.265 310 M C 2.062 178.363 176.300 0.001 0.000 1.064 310 M CA 1.181 56.472 55.300 -0.016 0.000 1.109 310 M CB -0.555 32.032 32.600 -0.022 0.000 1.396 310 M HN 0.214 nan 8.290 nan 0.000 0.430 311 I N 0.642 121.207 120.570 -0.008 0.000 2.335 311 I HA -0.301 3.869 4.170 -0.000 0.000 0.251 311 I C 2.115 178.247 176.117 0.025 0.000 1.129 311 I CA 1.247 62.556 61.300 0.016 0.000 1.402 311 I CB -0.458 37.550 38.000 0.013 0.000 1.069 311 I HN 0.297 nan 8.210 nan 0.000 0.424 312 I N 0.948 121.522 120.570 0.007 0.000 2.530 312 I HA -0.258 3.912 4.170 -0.000 0.000 0.257 312 I C 2.730 178.885 176.117 0.064 0.000 1.179 312 I CA 1.004 62.313 61.300 0.014 0.000 1.440 312 I CB -0.667 37.338 38.000 0.009 0.000 1.087 312 I HN 0.195 nan 8.210 nan 0.000 0.440 313 A N 1.375 124.235 122.820 0.067 0.000 2.019 313 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 313 A C 2.277 179.913 177.584 0.087 0.000 1.164 313 A CA 1.234 53.317 52.037 0.078 0.000 0.644 313 A CB -0.542 18.492 19.000 0.057 0.000 0.805 313 A HN 0.387 nan 8.150 nan 0.000 0.449 314 I N 0.371 120.999 120.570 0.096 0.000 2.133 314 I HA -0.137 4.033 4.170 -0.000 0.000 0.238 314 I C -0.287 175.928 176.117 0.164 0.000 1.074 314 I CA 1.396 62.783 61.300 0.146 0.000 1.342 314 I CB -1.189 36.914 38.000 0.172 0.000 1.053 314 I HN 0.226 nan 8.210 nan 0.000 0.404 315 P HA -0.118 nan 4.420 nan 0.000 0.217 315 P C 1.547 178.835 177.300 -0.020 0.000 1.150 315 P CA 1.655 64.738 63.100 -0.028 0.000 0.832 315 P CB -0.281 31.196 31.700 -0.371 0.000 0.787 316 T N -0.301 114.259 114.554 0.011 0.000 2.788 316 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 316 T C 2.163 176.803 174.700 -0.101 0.000 1.044 316 T CA 1.743 63.845 62.100 0.004 0.000 1.139 316 T CB -1.133 67.858 68.868 0.205 0.000 0.867 316 T HN 0.206 nan 8.240 nan 0.000 0.454 317 G N 1.056 109.831 108.800 -0.043 0.000 2.422 317 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 317 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 317 G C 1.686 176.501 174.900 -0.140 0.000 1.146 317 G CA 0.679 45.693 45.100 -0.144 0.000 0.769 317 G HN 0.433 nan 8.290 nan 0.000 0.547 318 V N 0.733 120.673 119.914 0.043 0.000 2.392 318 V HA -0.191 3.929 4.120 -0.000 0.000 0.249 318 V C 2.810 178.824 176.094 -0.133 0.000 1.059 318 V CA 2.203 64.560 62.300 0.094 0.000 1.051 318 V CB -0.359 31.603 31.823 0.231 0.000 0.658 318 V HN 0.379 nan 8.190 nan 0.000 0.455 319 K N -0.445 119.733 120.400 -0.370 0.000 2.057 319 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 319 K C 2.105 178.050 176.600 -1.092 0.000 1.050 319 K CA 1.318 57.093 56.287 -0.854 0.000 0.935 319 K CB -0.425 31.373 32.500 -1.170 0.000 0.715 319 K HN 0.325 nan 8.250 nan 0.000 0.439 320 V N 1.126 120.610 119.914 -0.717 0.000 2.287 320 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 320 V C 2.015 177.982 176.094 -0.213 0.000 1.053 320 V CA 1.841 63.929 62.300 -0.352 0.000 1.027 320 V CB -0.546 31.064 31.823 -0.356 0.000 0.646 320 V HN 0.220 nan 8.190 nan 0.000 0.447 321 F N -0.008 119.919 119.950 -0.038 0.000 2.293 321 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 321 F C 2.598 178.348 175.800 -0.084 0.000 1.086 321 F CA 1.115 59.094 58.000 -0.034 0.000 1.375 321 F CB -0.338 38.638 39.000 -0.040 0.000 1.045 321 F HN 0.063 nan 8.300 nan 0.000 0.516 322 S N -0.908 114.806 115.700 0.023 0.000 2.387 322 S HA -0.139 4.331 4.470 -0.000 0.000 0.226 322 S C 1.693 176.367 174.600 0.122 0.000 1.026 322 S CA 0.665 58.906 58.200 0.069 0.000 0.972 322 S CB -0.295 62.939 63.200 0.056 0.000 0.814 322 S HN 0.396 nan 8.310 nan 0.000 0.477 323 W N 1.940 123.292 121.300 0.085 0.000 2.381 323 W HA 0.107 4.767 4.660 -0.000 0.000 0.301 323 W C 1.888 178.446 176.519 0.065 0.000 1.205 323 W CA 0.250 57.641 57.345 0.077 0.000 1.285 323 W CB -1.191 28.310 29.460 0.069 0.000 1.133 323 W HN 0.300 nan 8.180 nan 0.000 0.521 324 L N 0.004 121.401 121.223 0.289 0.000 2.093 324 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 324 L C 2.526 179.440 176.870 0.073 0.000 1.085 324 L CA 1.414 56.363 54.840 0.182 0.000 0.755 324 L CB -1.289 40.888 42.059 0.196 0.000 0.904 324 L HN -0.147 nan 8.230 nan 0.000 0.435 325 A N -0.734 122.050 122.820 -0.059 0.000 2.119 325 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 325 A C 2.255 179.818 177.584 -0.035 0.000 1.153 325 A CA 1.662 53.518 52.037 -0.303 0.000 0.692 325 A CB -0.555 17.766 19.000 -1.131 0.000 0.799 325 A HN 0.362 nan 8.150 nan 0.000 0.458 326 T N 0.091 114.724 114.554 0.131 0.000 2.978 326 T HA 0.065 4.415 4.350 -0.000 0.000 0.262 326 T C 1.714 176.495 174.700 0.135 0.000 1.063 326 T CA 0.896 63.119 62.100 0.206 0.000 1.140 326 T CB -0.222 68.802 68.868 0.259 0.000 0.886 326 T HN 0.375 nan 8.240 nan 0.000 0.470 327 L N 0.260 121.554 121.223 0.119 0.000 2.141 327 L HA 0.025 4.365 4.340 -0.000 0.000 0.209 327 L C 1.283 178.201 176.870 0.080 0.000 1.094 327 L CA 0.473 55.353 54.840 0.067 0.000 0.763 327 L CB -0.642 41.452 42.059 0.059 0.000 0.908 327 L HN 0.316 nan 8.230 nan 0.000 0.437 328 H N 0.800 119.869 119.070 -0.001 0.000 3.187 328 H HA 0.160 4.716 4.556 -0.000 0.000 0.286 328 H C 1.115 176.447 175.328 0.005 0.000 0.944 328 H CA 0.353 56.395 56.048 -0.010 0.000 1.429 328 H CB 0.130 29.864 29.762 -0.047 0.000 1.483 328 H HN 0.312 nan 8.280 nan 0.000 0.555 329 G N 3.025 111.629 108.800 -0.327 0.000 2.162 329 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 329 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 329 G C 0.673 175.498 174.900 -0.125 0.000 0.976 329 G CA 0.321 45.249 45.100 -0.286 0.000 0.655 329 G HN 1.028 nan 8.290 nan 0.000 0.533 330 G N -0.515 108.239 108.800 -0.078 0.000 2.507 330 G HA2 0.444 4.404 3.960 -0.000 0.000 0.271 330 G HA3 0.444 4.404 3.960 -0.000 0.000 0.271 330 G C 0.035 174.897 174.900 -0.062 0.000 1.189 330 G CA 0.091 45.153 45.100 -0.063 0.000 0.859 330 G HN 0.522 nan 8.290 nan 0.000 0.542 331 N N 1.208 119.868 118.700 -0.066 0.000 2.719 331 N HA 0.064 4.804 4.740 -0.000 0.000 0.243 331 N C 0.340 175.808 175.510 -0.070 0.000 1.104 331 N CA -0.682 52.337 53.050 -0.052 0.000 0.981 331 N CB -0.088 38.366 38.487 -0.054 0.000 1.290 331 N HN 0.157 nan 8.380 nan 0.000 0.513 332 I N 1.429 121.947 120.570 -0.087 0.000 2.662 332 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 332 I C 0.811 176.822 176.117 -0.175 0.000 1.161 332 I CA 0.086 61.265 61.300 -0.202 0.000 1.415 332 I CB -0.380 37.389 38.000 -0.384 0.000 1.385 332 I HN 0.363 nan 8.210 nan 0.000 0.552 333 K N 6.953 127.267 120.400 -0.143 0.000 2.292 333 K HA 0.217 4.537 4.320 -0.000 0.000 0.270 333 K C -0.779 175.750 176.600 -0.118 0.000 1.062 333 K CA -0.291 55.994 56.287 -0.003 0.000 0.916 333 K CB 0.222 32.815 32.500 0.155 0.000 1.166 333 K HN 0.360 nan 8.250 nan 0.000 0.458 334 W N 4.513 125.786 121.300 -0.046 0.000 1.830 334 W HA 0.078 4.738 4.660 -0.000 0.000 0.461 334 W C 0.323 176.737 176.519 -0.175 0.000 0.613 334 W CA -0.419 56.855 57.345 -0.120 0.000 2.422 334 W CB -0.673 28.725 29.460 -0.104 0.000 1.059 334 W HN 0.493 nan 8.180 nan 0.000 0.479 335 S N -0.477 115.134 115.700 -0.147 0.000 2.624 335 S HA 0.278 4.748 4.470 -0.000 0.000 0.263 335 S C -1.456 172.971 174.600 -0.288 0.000 1.287 335 S CA -1.113 56.949 58.200 -0.230 0.000 0.990 335 S CB 1.408 64.331 63.200 -0.461 0.000 0.950 335 S HN -0.044 nan 8.310 nan 0.000 0.561 336 P HA -0.031 nan 4.420 nan 0.000 0.216 336 P C 1.577 178.805 177.300 -0.120 0.000 1.150 336 P CA 1.821 64.838 63.100 -0.138 0.000 0.837 336 P CB -0.255 31.489 31.700 0.074 0.000 0.786 337 A N -0.792 121.928 122.820 -0.166 0.000 1.902 337 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 337 A C 2.228 179.658 177.584 -0.257 0.000 1.181 337 A CA 2.186 54.148 52.037 -0.125 0.000 0.623 337 A CB -1.487 17.354 19.000 -0.265 0.000 0.818 337 A HN 0.113 nan 8.150 nan 0.000 0.443 338 M N -0.420 118.843 119.600 -0.562 0.000 2.117 338 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 338 M C 2.060 178.162 176.300 -0.330 0.000 1.065 338 M CA 1.787 56.837 55.300 -0.417 0.000 1.114 338 M CB -0.662 31.643 32.600 -0.492 0.000 1.361 338 M HN 0.436 nan 8.290 nan 0.000 0.408 339 M N -1.897 117.417 119.600 -0.476 0.000 2.117 339 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 339 M C 1.990 177.833 176.300 -0.763 0.000 1.065 339 M CA 1.996 56.811 55.300 -0.809 0.000 1.114 339 M CB -0.709 31.043 32.600 -1.414 0.000 1.361 339 M HN 0.388 nan 8.290 nan 0.000 0.408 340 W N 0.119 121.137 121.300 -0.470 0.000 2.363 340 W HA -0.144 4.516 4.660 -0.000 0.000 0.296 340 W C 2.705 179.333 176.519 0.182 0.000 1.212 340 W CA 1.098 58.410 57.345 -0.055 0.000 1.260 340 W CB -0.421 29.019 29.460 -0.034 0.000 1.131 340 W HN 0.229 nan 8.180 nan 0.000 0.530 341 A N -0.063 122.893 122.820 0.226 0.000 1.930 341 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 341 A C 1.916 179.620 177.584 0.199 0.000 1.175 341 A CA 1.218 53.330 52.037 0.125 0.000 0.627 341 A CB -0.907 18.045 19.000 -0.080 0.000 0.815 341 A HN 0.283 nan 8.150 nan 0.000 0.443 342 L N -0.777 120.529 121.223 0.137 0.000 2.056 342 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 342 L C 2.821 179.932 176.870 0.401 0.000 1.078 342 L CA 1.048 56.001 54.840 0.188 0.000 0.749 342 L CB -0.811 41.289 42.059 0.069 0.000 0.901 342 L HN 0.479 nan 8.230 nan 0.000 0.433 343 G N -0.217 108.919 108.800 0.561 0.000 2.422 343 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.218 343 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.218 343 G C 1.485 176.816 174.900 0.718 0.000 1.146 343 G CA 0.554 46.181 45.100 0.878 0.000 0.769 343 G HN 0.292 nan 8.290 nan 0.000 0.547 344 F N 1.618 121.908 119.950 0.567 0.000 2.069 344 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 344 F C 2.488 178.457 175.800 0.282 0.000 1.113 344 F CA 1.420 59.623 58.000 0.339 0.000 1.214 344 F CB -0.298 38.850 39.000 0.248 0.000 0.978 344 F HN 0.114 nan 8.300 nan 0.000 0.474 345 I N -0.667 120.243 120.570 0.567 0.000 2.151 345 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 345 I C 2.381 178.723 176.117 0.375 0.000 1.080 345 I CA 1.863 63.450 61.300 0.480 0.000 1.339 345 I CB -0.727 37.524 38.000 0.419 0.000 1.039 345 I HN 0.256 nan 8.210 nan 0.000 0.409 346 F N 1.547 121.643 119.950 0.244 0.000 2.098 346 F HA -0.119 4.408 4.527 -0.000 0.000 0.294 346 F C 2.208 178.091 175.800 0.139 0.000 1.107 346 F CA 1.556 59.675 58.000 0.197 0.000 1.234 346 F CB -0.396 38.742 39.000 0.230 0.000 1.002 346 F HN -0.152 nan 8.300 nan 0.000 0.472 347 L N -0.955 120.236 121.223 -0.054 0.000 2.083 347 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 347 L C 2.463 179.206 176.870 -0.211 0.000 1.083 347 L CA 1.462 56.176 54.840 -0.210 0.000 0.752 347 L CB -0.980 40.944 42.059 -0.225 0.000 0.899 347 L HN 0.242 nan 8.230 nan 0.000 0.433 348 F N 0.857 120.575 119.950 -0.387 0.000 2.146 348 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 348 F C 2.456 178.144 175.800 -0.186 0.000 1.096 348 F CA 1.819 59.583 58.000 -0.394 0.000 1.275 348 F CB -0.281 38.275 39.000 -0.741 0.000 1.008 348 F HN -0.100 nan 8.300 nan 0.000 0.480 349 T N 0.245 114.697 114.554 -0.169 0.000 2.720 349 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 349 T C 2.137 176.649 174.700 -0.313 0.000 1.037 349 T CA 1.696 63.684 62.100 -0.187 0.000 1.144 349 T CB -0.612 68.242 68.868 -0.024 0.000 0.864 349 T HN 0.134 nan 8.240 nan 0.000 0.444 350 V N 1.257 120.934 119.914 -0.394 0.000 2.295 350 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 350 V C 2.852 178.722 176.094 -0.373 0.000 1.049 350 V CA 2.087 64.139 62.300 -0.413 0.000 1.024 350 V CB -1.308 30.191 31.823 -0.541 0.000 0.648 350 V HN 0.603 nan 8.190 nan 0.000 0.447 351 G N -0.300 108.289 108.800 -0.352 0.000 2.422 351 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 351 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 351 G C 1.601 176.382 174.900 -0.198 0.000 1.146 351 G CA 0.909 45.842 45.100 -0.278 0.000 0.769 351 G HN 0.595 nan 8.290 nan 0.000 0.547 352 G N 0.808 109.341 108.800 -0.444 0.000 2.408 352 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 352 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 352 G C 1.790 176.603 174.900 -0.145 0.000 1.150 352 G CA 0.602 45.509 45.100 -0.322 0.000 0.776 352 G HN 0.419 nan 8.290 nan 0.000 0.542 353 L N 1.192 122.317 121.223 -0.163 0.000 2.083 353 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 353 L C 3.295 180.112 176.870 -0.088 0.000 1.083 353 L CA 1.708 56.484 54.840 -0.107 0.000 0.752 353 L CB -0.716 41.278 42.059 -0.109 0.000 0.899 353 L HN 0.410 nan 8.230 nan 0.000 0.433 354 T N -3.698 110.802 114.554 -0.091 0.000 2.995 354 T HA -0.048 4.302 4.350 -0.000 0.000 0.269 354 T C 1.879 176.491 174.700 -0.147 0.000 1.091 354 T CA 0.785 62.859 62.100 -0.043 0.000 1.128 354 T CB -0.548 68.242 68.868 -0.129 0.000 0.891 354 T HN 0.381 nan 8.240 nan 0.000 0.492 355 G N 1.825 110.451 108.800 -0.291 0.000 2.408 355 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.217 355 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.217 355 G C 1.445 176.161 174.900 -0.305 0.000 1.150 355 G CA 0.478 45.187 45.100 -0.651 0.000 0.776 355 G HN 0.451 nan 8.290 nan 0.000 0.542 356 I N 1.088 121.563 120.570 -0.157 0.000 2.394 356 I HA -0.087 4.083 4.170 -0.000 0.000 0.251 356 I C 2.871 178.935 176.117 -0.087 0.000 1.136 356 I CA 0.624 61.866 61.300 -0.097 0.000 1.425 356 I CB -0.798 37.169 38.000 -0.054 0.000 1.079 356 I HN 0.029 nan 8.210 nan 0.000 0.425 357 V N 0.913 120.785 119.914 -0.070 0.000 2.307 357 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 357 V C 2.517 178.559 176.094 -0.086 0.000 1.045 357 V CA 1.365 63.633 62.300 -0.054 0.000 1.024 357 V CB -0.511 31.325 31.823 0.022 0.000 0.651 357 V HN 0.312 nan 8.190 nan 0.000 0.449 358 L N 0.237 121.404 121.223 -0.094 0.000 2.275 358 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 358 L C 2.628 179.461 176.870 -0.062 0.000 1.119 358 L CA 1.132 55.911 54.840 -0.101 0.000 0.790 358 L CB -0.722 41.235 42.059 -0.171 0.000 0.919 358 L HN 0.357 nan 8.230 nan 0.000 0.443 359 A N -0.376 122.389 122.820 -0.091 0.000 2.019 359 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 359 A C 0.978 178.580 177.584 0.031 0.000 1.164 359 A CA 0.862 52.905 52.037 0.010 0.000 0.644 359 A CB -0.549 18.423 19.000 -0.046 0.000 0.805 359 A HN 0.424 nan 8.150 nan 0.000 0.449 360 N N 1.308 119.957 118.700 -0.084 0.000 2.402 360 N HA 0.082 4.822 4.740 -0.000 0.000 0.259 360 N C 1.171 176.478 175.510 -0.337 0.000 1.167 360 N CA 0.708 53.647 53.050 -0.185 0.000 0.949 360 N CB 1.069 39.471 38.487 -0.141 0.000 1.212 360 N HN 0.523 nan 8.380 nan 0.000 0.493 361 S N 1.225 116.495 115.700 -0.715 0.000 2.420 361 S HA -0.184 4.286 4.470 -0.000 0.000 0.237 361 S C 1.849 176.166 174.600 -0.471 0.000 1.023 361 S CA 1.022 58.570 58.200 -1.088 0.000 0.991 361 S CB -0.052 62.237 63.200 -1.518 0.000 0.792 361 S HN 0.408 nan 8.310 nan 0.000 0.488 362 S N 1.916 117.428 115.700 -0.314 0.000 2.343 362 S HA 0.099 4.569 4.470 -0.000 0.000 0.219 362 S C 1.802 176.314 174.600 -0.147 0.000 1.033 362 S CA 1.294 59.382 58.200 -0.187 0.000 1.014 362 S CB -0.617 62.495 63.200 -0.146 0.000 0.915 362 S HN 0.439 nan 8.310 nan 0.000 0.435 363 L N 1.113 122.246 121.223 -0.149 0.000 2.093 363 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 363 L C 2.192 178.994 176.870 -0.114 0.000 1.085 363 L CA 1.463 56.224 54.840 -0.132 0.000 0.755 363 L CB -0.498 41.471 42.059 -0.150 0.000 0.904 363 L HN 0.316 nan 8.230 nan 0.000 0.435 364 D N -0.183 120.157 120.400 -0.100 0.000 2.263 364 D HA -0.206 4.434 4.640 -0.000 0.000 0.208 364 D C 2.104 178.428 176.300 0.040 0.000 0.971 364 D CA 0.662 54.661 54.000 -0.001 0.000 0.867 364 D CB 0.202 41.078 40.800 0.127 0.000 0.929 364 D HN 0.126 nan 8.370 nan 0.000 0.492 365 I N 0.122 120.683 120.570 -0.015 0.000 2.163 365 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 365 I C 2.242 178.383 176.117 0.041 0.000 1.085 365 I CA 0.876 62.186 61.300 0.017 0.000 1.347 365 I CB -1.003 36.986 38.000 -0.018 0.000 1.044 365 I HN 0.064 nan 8.210 nan 0.000 0.408 366 V N 0.455 120.368 119.914 -0.002 0.000 2.788 366 V HA -0.108 4.012 4.120 -0.000 0.000 0.251 366 V C 2.316 178.401 176.094 -0.014 0.000 1.068 366 V CA 0.915 63.211 62.300 -0.007 0.000 1.090 366 V CB -0.251 31.551 31.823 -0.035 0.000 0.710 366 V HN 0.306 nan 8.190 nan 0.000 0.467 367 L N -1.191 120.010 121.223 -0.036 0.000 2.375 367 L HA 0.154 4.494 4.340 -0.000 0.000 0.215 367 L C 1.293 178.183 176.870 0.035 0.000 1.108 367 L CA 0.047 54.858 54.840 -0.048 0.000 0.830 367 L CB -0.449 41.503 42.059 -0.179 0.000 0.959 367 L HN 0.361 nan 8.230 nan 0.000 0.457 368 H N 1.164 120.235 119.070 0.000 0.000 2.972 368 H HA -0.097 4.459 4.556 -0.000 0.000 0.343 368 H C 0.478 175.820 175.328 0.023 0.000 1.054 368 H CA 0.527 56.588 56.048 0.022 0.000 1.412 368 H CB 0.187 29.972 29.762 0.038 0.000 1.385 368 H HN 0.113 nan 8.280 nan 0.000 0.600 369 D N 2.000 121.897 120.400 -0.839 0.000 2.837 369 D HA -0.206 4.434 4.640 -0.000 0.000 0.230 369 D C -0.384 175.769 176.300 -0.245 0.000 1.152 369 D CA 1.447 55.130 54.000 -0.529 0.000 0.736 369 D CB -0.843 39.688 40.800 -0.449 0.000 1.084 369 D HN 0.754 nan 8.370 nan 0.000 0.429 370 T N -4.243 110.213 114.554 -0.163 0.000 2.910 370 T HA 0.435 4.785 4.350 -0.000 0.000 0.287 370 T C 0.997 175.657 174.700 -0.067 0.000 1.050 370 T CA -0.741 61.313 62.100 -0.076 0.000 1.011 370 T CB 0.926 69.789 68.868 -0.007 0.000 1.195 370 T HN -0.046 nan 8.240 nan 0.000 0.540 371 Y N -0.524 119.718 120.300 -0.097 0.000 2.680 371 Y HA 0.041 4.591 4.550 -0.000 0.000 0.303 371 Y C 1.905 177.738 175.900 -0.113 0.000 1.166 371 Y CA 0.664 58.698 58.100 -0.111 0.000 1.344 371 Y CB -0.401 37.971 38.460 -0.148 0.000 1.002 371 Y HN 0.814 nan 8.280 nan 0.000 0.537 372 Y N -1.002 119.259 120.300 -0.065 0.000 2.293 372 Y HA -0.212 4.338 4.550 -0.000 0.000 0.291 372 Y C 2.105 177.938 175.900 -0.112 0.000 1.137 372 Y CA 1.240 59.283 58.100 -0.096 0.000 1.202 372 Y CB -0.187 38.245 38.460 -0.048 0.000 0.990 372 Y HN -0.093 nan 8.280 nan 0.000 0.537 373 V N -1.246 118.705 119.914 0.061 0.000 2.358 373 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 373 V C 2.230 178.235 176.094 -0.149 0.000 1.047 373 V CA 1.653 63.998 62.300 0.076 0.000 1.035 373 V CB -0.782 31.118 31.823 0.128 0.000 0.658 373 V HN 0.280 nan 8.190 nan 0.000 0.452 374 V N 0.602 120.276 119.914 -0.400 0.000 2.392 374 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 374 V C 2.702 178.350 176.094 -0.742 0.000 1.059 374 V CA 1.990 63.747 62.300 -0.904 0.000 1.051 374 V CB -1.273 30.150 31.823 -0.666 0.000 0.658 374 V HN 0.548 nan 8.190 nan 0.000 0.455 375 A N -0.037 122.488 122.820 -0.492 0.000 1.855 375 A HA -0.280 4.040 4.320 -0.000 0.000 0.215 375 A C 2.142 179.458 177.584 -0.448 0.000 1.191 375 A CA 2.224 53.942 52.037 -0.533 0.000 0.613 375 A CB -0.875 17.505 19.000 -1.032 0.000 0.829 375 A HN 0.739 nan 8.150 nan 0.000 0.442 376 H N 0.309 119.081 119.070 -0.497 0.000 2.265 376 H HA -0.246 4.310 4.556 -0.000 0.000 0.295 376 H C 1.711 176.925 175.328 -0.190 0.000 1.084 376 H CA 2.604 58.465 56.048 -0.312 0.000 1.261 376 H CB -0.856 28.786 29.762 -0.199 0.000 1.360 376 H HN 0.601 nan 8.280 nan 0.000 0.487 377 F N -1.395 118.205 119.950 -0.584 0.000 2.365 377 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 377 F C 1.920 177.341 175.800 -0.631 0.000 1.090 377 F CA 1.047 58.640 58.000 -0.680 0.000 1.408 377 F CB -0.711 38.012 39.000 -0.460 0.000 1.060 377 F HN 0.200 nan 8.300 nan 0.000 0.534 378 H N -1.707 116.956 119.070 -0.678 0.000 2.470 378 H HA -0.000 4.556 4.556 -0.000 0.000 0.289 378 H C 1.428 176.327 175.328 -0.715 0.000 1.033 378 H CA 1.632 57.151 56.048 -0.882 0.000 1.331 378 H CB -0.210 28.422 29.762 -1.884 0.000 1.414 378 H HN 0.259 nan 8.280 nan 0.000 0.545 379 Y N 0.012 120.008 120.300 -0.505 0.000 2.220 379 Y HA -0.192 4.358 4.550 -0.000 0.000 0.291 379 Y C 2.505 178.179 175.900 -0.377 0.000 1.129 379 Y CA 1.337 59.197 58.100 -0.400 0.000 1.161 379 Y CB -0.192 38.061 38.460 -0.346 0.000 0.997 379 Y HN 0.137 nan 8.280 nan 0.000 0.522 380 V N -2.767 116.994 119.914 -0.256 0.000 2.719 380 V HA -0.114 4.006 4.120 -0.000 0.000 0.252 380 V C 1.719 177.744 176.094 -0.115 0.000 1.065 380 V CA 1.318 63.512 62.300 -0.177 0.000 1.086 380 V CB -0.653 31.023 31.823 -0.244 0.000 0.700 380 V HN 0.332 nan 8.190 nan 0.000 0.467 381 L N -0.147 120.956 121.223 -0.201 0.000 2.265 381 L HA 0.156 4.496 4.340 -0.000 0.000 0.195 381 L C 2.688 179.489 176.870 -0.114 0.000 1.083 381 L CA 1.308 56.047 54.840 -0.169 0.000 0.798 381 L CB -0.419 41.491 42.059 -0.248 0.000 0.989 381 L HN 0.274 nan 8.230 nan 0.000 0.472 382 S N -0.910 114.694 115.700 -0.159 0.000 2.522 382 S HA 0.047 4.517 4.470 -0.000 0.000 0.227 382 S C 1.681 176.247 174.600 -0.057 0.000 0.986 382 S CA 0.894 59.067 58.200 -0.045 0.000 0.929 382 S CB 0.107 63.295 63.200 -0.020 0.000 0.769 382 S HN 0.230 nan 8.310 nan 0.000 0.529 383 M N -1.056 118.386 119.600 -0.264 0.000 2.879 383 M HA 0.271 4.751 4.480 -0.000 0.000 0.241 383 M C 2.264 178.318 176.300 -0.411 0.000 1.523 383 M CA 0.686 55.620 55.300 -0.610 0.000 1.195 383 M CB -0.571 31.546 32.600 -0.805 0.000 1.277 383 M HN 0.305 nan 8.290 nan 0.000 0.557 384 G N 0.707 109.382 108.800 -0.209 0.000 2.556 384 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.215 384 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.215 384 G C 1.566 176.675 174.900 0.348 0.000 1.258 384 G CA 1.131 46.200 45.100 -0.050 0.000 0.811 384 G HN 0.452 nan 8.290 nan 0.000 0.557 385 A N -0.247 122.694 122.820 0.202 0.000 1.892 385 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 385 A C 2.633 180.337 177.584 0.200 0.000 1.188 385 A CA 2.329 54.467 52.037 0.169 0.000 0.631 385 A CB -0.920 18.095 19.000 0.025 0.000 0.822 385 A HN 0.337 nan 8.150 nan 0.000 0.447 386 V N -1.264 118.775 119.914 0.208 0.000 2.343 386 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 386 V C 2.326 178.632 176.094 0.352 0.000 1.051 386 V CA 2.020 64.468 62.300 0.246 0.000 1.036 386 V CB -0.888 31.095 31.823 0.266 0.000 0.654 386 V HN 0.637 nan 8.190 nan 0.000 0.451 387 F N 0.167 120.255 119.950 0.230 0.000 2.186 387 F HA -0.150 4.377 4.527 -0.000 0.000 0.299 387 F C 2.483 178.397 175.800 0.190 0.000 1.090 387 F CA 0.781 58.992 58.000 0.352 0.000 1.307 387 F CB -0.358 39.039 39.000 0.662 0.000 1.019 387 F HN 0.156 nan 8.300 nan 0.000 0.489 388 A N 0.606 123.654 122.820 0.380 0.000 1.902 388 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 388 A C 2.097 179.659 177.584 -0.036 0.000 1.181 388 A CA 1.410 53.475 52.037 0.046 0.000 0.623 388 A CB -0.967 17.997 19.000 -0.061 0.000 0.818 388 A HN 0.391 nan 8.150 nan 0.000 0.443 389 I N -0.798 119.787 120.570 0.024 0.000 2.226 389 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 389 I C 2.584 178.707 176.117 0.010 0.000 1.100 389 I CA 1.109 62.436 61.300 0.044 0.000 1.374 389 I CB -0.258 37.822 38.000 0.133 0.000 1.057 389 I HN 0.259 nan 8.210 nan 0.000 0.413 390 M N 0.252 119.711 119.600 -0.235 0.000 2.117 390 M HA -0.091 4.389 4.480 -0.000 0.000 0.262 390 M C 2.420 178.410 176.300 -0.518 0.000 1.065 390 M CA 1.824 56.764 55.300 -0.601 0.000 1.114 390 M CB -1.979 29.577 32.600 -1.740 0.000 1.361 390 M HN 0.300 nan 8.290 nan 0.000 0.408 391 G N -0.242 108.325 108.800 -0.389 0.000 2.421 391 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 391 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 391 G C 1.597 176.485 174.900 -0.019 0.000 1.171 391 G CA 1.073 46.125 45.100 -0.081 0.000 0.775 391 G HN 0.550 nan 8.290 nan 0.000 0.543 392 G N 0.174 108.946 108.800 -0.047 0.000 2.422 392 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 392 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 392 G C 1.620 176.747 174.900 0.378 0.000 1.146 392 G CA 0.873 45.986 45.100 0.023 0.000 0.769 392 G HN 0.349 nan 8.290 nan 0.000 0.547 393 F N 1.834 121.984 119.950 0.333 0.000 2.102 393 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 393 F C 2.752 178.696 175.800 0.240 0.000 1.105 393 F CA 1.952 60.229 58.000 0.461 0.000 1.239 393 F CB -0.346 38.837 39.000 0.304 0.000 0.991 393 F HN 0.070 nan 8.300 nan 0.000 0.474 394 V N -1.429 118.573 119.914 0.146 0.000 2.548 394 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 394 V C 2.387 178.494 176.094 0.020 0.000 1.055 394 V CA 2.307 64.630 62.300 0.039 0.000 1.065 394 V CB -1.335 30.586 31.823 0.162 0.000 0.681 394 V HN 0.522 nan 8.190 nan 0.000 0.462 395 H N -0.758 118.259 119.070 -0.088 0.000 2.326 395 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 395 H C 1.809 177.003 175.328 -0.222 0.000 1.081 395 H CA 2.359 58.283 56.048 -0.207 0.000 1.334 395 H CB -0.228 29.261 29.762 -0.455 0.000 1.385 395 H HN 0.563 nan 8.280 nan 0.000 0.504 396 W N -0.416 120.652 121.300 -0.388 0.000 3.211 396 W HA 0.050 4.710 4.660 -0.000 0.000 0.292 396 W C 1.558 177.355 176.519 -1.202 0.000 1.268 396 W CA -0.260 56.529 57.345 -0.927 0.000 1.702 396 W CB -0.787 27.998 29.460 -1.125 0.000 1.092 396 W HN 0.209 nan 8.180 nan 0.000 0.643 397 F N 2.803 122.321 119.950 -0.721 0.000 2.120 397 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 397 F C -0.746 174.763 175.800 -0.486 0.000 1.095 397 F CA 1.876 59.442 58.000 -0.723 0.000 1.249 397 F CB -1.392 37.140 39.000 -0.780 0.000 0.995 397 F HN -0.253 nan 8.300 nan 0.000 0.480 398 P HA -0.178 nan 4.420 nan 0.000 0.218 398 P C 1.773 178.889 177.300 -0.306 0.000 1.149 398 P CA 1.288 64.246 63.100 -0.236 0.000 0.817 398 P CB -0.111 31.625 31.700 0.061 0.000 0.785 399 L N -1.642 119.276 121.223 -0.508 0.000 2.027 399 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 399 L C 1.971 178.494 176.870 -0.577 0.000 1.074 399 L CA 2.014 56.428 54.840 -0.710 0.000 0.745 399 L CB -1.311 39.885 42.059 -1.439 0.000 0.898 399 L HN -0.169 nan 8.230 nan 0.000 0.433 400 F N -0.183 119.256 119.950 -0.852 0.000 2.186 400 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 400 F C 2.806 178.279 175.800 -0.545 0.000 1.090 400 F CA 1.044 58.416 58.000 -1.047 0.000 1.307 400 F CB -1.671 36.633 39.000 -1.161 0.000 1.019 400 F HN 0.389 nan 8.300 nan 0.000 0.489 401 S N -1.550 113.849 115.700 -0.501 0.000 2.483 401 S HA 0.415 4.885 4.470 -0.000 0.000 0.221 401 S C 1.862 176.133 174.600 -0.549 0.000 1.030 401 S CA 0.514 58.441 58.200 -0.455 0.000 0.925 401 S CB 0.277 62.984 63.200 -0.821 0.000 0.795 401 S HN 0.537 nan 8.310 nan 0.000 0.511 402 G N -0.015 108.477 108.800 -0.514 0.000 2.175 402 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 402 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 402 G C -0.243 174.375 174.900 -0.470 0.000 0.982 402 G CA 0.331 45.154 45.100 -0.461 0.000 0.641 402 G HN 0.529 nan 8.290 nan 0.000 0.527 403 Y N 0.879 121.036 120.300 -0.238 0.000 2.549 403 Y HA 0.697 5.247 4.550 -0.000 0.000 0.339 403 Y C 0.870 176.724 175.900 -0.075 0.000 1.053 403 Y CA -0.668 57.342 58.100 -0.150 0.000 1.105 403 Y CB 1.627 39.983 38.460 -0.173 0.000 1.258 403 Y HN 0.301 nan 8.280 nan 0.000 0.478 404 T N -0.037 114.631 114.554 0.190 0.000 2.929 404 T HA 0.759 5.109 4.350 -0.000 0.000 0.284 404 T C -0.366 174.414 174.700 0.133 0.000 1.014 404 T CA -0.828 61.362 62.100 0.150 0.000 1.051 404 T CB 0.832 69.753 68.868 0.088 0.000 1.028 404 T HN 0.485 nan 8.240 nan 0.000 0.485 405 L N 1.902 123.184 121.223 0.098 0.000 2.431 405 L HA 0.441 4.781 4.340 -0.000 0.000 0.260 405 L C 1.031 177.924 176.870 0.037 0.000 1.098 405 L CA -1.171 53.661 54.840 -0.013 0.000 0.800 405 L CB 0.591 42.598 42.059 -0.086 0.000 1.210 405 L HN 0.714 nan 8.230 nan 0.000 0.465 406 N N 0.656 119.395 118.700 0.064 0.000 2.406 406 N HA -0.011 4.729 4.740 -0.000 0.000 0.251 406 N C 0.029 175.636 175.510 0.161 0.000 1.069 406 N CA -0.103 53.033 53.050 0.144 0.000 0.947 406 N CB 1.226 39.892 38.487 0.299 0.000 1.111 406 N HN 0.534 nan 8.380 nan 0.000 0.497 407 D N 2.281 122.744 120.400 0.105 0.000 2.149 407 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 407 D C 1.228 177.588 176.300 0.100 0.000 0.990 407 D CA 1.614 55.670 54.000 0.093 0.000 0.839 407 D CB 0.213 41.046 40.800 0.055 0.000 0.948 407 D HN 0.567 nan 8.370 nan 0.000 0.460 408 T N -0.937 113.654 114.554 0.062 0.000 2.737 408 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 408 T C 1.737 176.487 174.700 0.085 0.000 1.038 408 T CA 0.953 63.053 62.100 0.002 0.000 1.144 408 T CB -0.541 68.255 68.868 -0.122 0.000 0.866 408 T HN 0.346 nan 8.240 nan 0.000 0.434 409 W N 1.298 122.663 121.300 0.108 0.000 2.363 409 W HA -0.036 4.624 4.660 -0.000 0.000 0.296 409 W C 2.830 179.462 176.519 0.188 0.000 1.212 409 W CA 0.492 57.934 57.345 0.160 0.000 1.260 409 W CB -0.252 29.312 29.460 0.173 0.000 1.131 409 W HN 0.220 nan 8.180 nan 0.000 0.530 410 A N 0.299 123.359 122.820 0.400 0.000 1.972 410 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 410 A C 1.815 179.613 177.584 0.356 0.000 1.169 410 A CA 1.671 53.932 52.037 0.373 0.000 0.635 410 A CB -0.531 18.633 19.000 0.273 0.000 0.810 410 A HN 0.297 nan 8.150 nan 0.000 0.446 411 K N -0.595 119.939 120.400 0.223 0.000 2.155 411 K HA 0.081 4.401 4.320 -0.000 0.000 0.203 411 K C 1.673 178.381 176.600 0.181 0.000 1.052 411 K CA 1.117 57.488 56.287 0.141 0.000 0.948 411 K CB -0.238 32.294 32.500 0.054 0.000 0.728 411 K HN 0.510 nan 8.250 nan 0.000 0.448 412 I N 0.602 121.304 120.570 0.220 0.000 2.252 412 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 412 I C 2.670 178.937 176.117 0.251 0.000 1.102 412 I CA 1.158 62.587 61.300 0.216 0.000 1.385 412 I CB -0.376 37.794 38.000 0.283 0.000 1.064 412 I HN 0.328 nan 8.210 nan 0.000 0.414 413 H N 0.901 120.138 119.070 0.278 0.000 2.319 413 H HA -0.286 4.270 4.556 -0.000 0.000 0.299 413 H C 2.281 177.731 175.328 0.204 0.000 1.092 413 H CA 2.309 58.526 56.048 0.282 0.000 1.302 413 H CB -0.239 29.741 29.762 0.364 0.000 1.373 413 H HN 0.337 nan 8.280 nan 0.000 0.497 414 F N 1.547 121.367 119.950 -0.217 0.000 2.095 414 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 414 F C 2.660 178.200 175.800 -0.434 0.000 1.104 414 F CA 1.825 59.370 58.000 -0.757 0.000 1.232 414 F CB -0.834 37.559 39.000 -1.011 0.000 0.987 414 F HN 0.231 nan 8.300 nan 0.000 0.475 415 A N 0.967 123.569 122.820 -0.364 0.000 1.883 415 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 415 A C 2.309 179.765 177.584 -0.212 0.000 1.186 415 A CA 2.166 54.008 52.037 -0.325 0.000 0.624 415 A CB -1.313 17.635 19.000 -0.086 0.000 0.822 415 A HN 0.530 nan 8.150 nan 0.000 0.444 416 I N -1.559 118.941 120.570 -0.115 0.000 2.179 416 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 416 I C 2.644 178.722 176.117 -0.064 0.000 1.088 416 I CA 1.940 63.215 61.300 -0.040 0.000 1.357 416 I CB -0.299 37.723 38.000 0.035 0.000 1.051 416 I HN 0.383 nan 8.210 nan 0.000 0.409 417 M N 0.472 119.985 119.600 -0.146 0.000 2.159 417 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 417 M C 2.063 178.351 176.300 -0.020 0.000 1.063 417 M CA 1.825 57.086 55.300 -0.065 0.000 1.110 417 M CB -0.640 31.930 32.600 -0.051 0.000 1.374 417 M HN 0.194 nan 8.290 nan 0.000 0.411 418 F N -0.617 119.119 119.950 -0.356 0.000 2.134 418 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 418 F C 1.859 177.604 175.800 -0.093 0.000 1.097 418 F CA 1.734 59.590 58.000 -0.241 0.000 1.264 418 F CB -0.344 38.269 39.000 -0.644 0.000 1.001 418 F HN -0.036 nan 8.300 nan 0.000 0.479 419 V N 0.136 120.092 119.914 0.071 0.000 2.307 419 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 419 V C 2.728 178.804 176.094 -0.029 0.000 1.045 419 V CA 1.851 64.174 62.300 0.038 0.000 1.024 419 V CB -1.593 30.261 31.823 0.051 0.000 0.651 419 V HN 0.531 nan 8.190 nan 0.000 0.449 420 G N 0.812 109.601 108.800 -0.019 0.000 2.480 420 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 420 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 420 G C 1.772 176.625 174.900 -0.077 0.000 1.200 420 G CA 1.803 46.887 45.100 -0.026 0.000 0.782 420 G HN 0.577 nan 8.290 nan 0.000 0.554 421 V N -0.736 119.151 119.914 -0.045 0.000 2.407 421 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 421 V C 2.222 178.239 176.094 -0.129 0.000 1.055 421 V CA 2.164 64.444 62.300 -0.033 0.000 1.049 421 V CB -0.642 31.239 31.823 0.096 0.000 0.662 421 V HN 0.281 nan 8.190 nan 0.000 0.455 422 N N 0.131 118.709 118.700 -0.203 0.000 2.216 422 N HA -0.078 4.662 4.740 -0.000 0.000 0.183 422 N C 1.849 177.336 175.510 -0.038 0.000 1.017 422 N CA 2.041 54.995 53.050 -0.161 0.000 0.861 422 N CB -0.187 38.149 38.487 -0.251 0.000 0.986 422 N HN 0.599 nan 8.380 nan 0.000 0.428 423 M N 0.792 120.352 119.600 -0.067 0.000 2.229 423 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 423 M C 1.592 177.827 176.300 -0.109 0.000 1.063 423 M CA 1.183 56.467 55.300 -0.027 0.000 1.114 423 M CB -0.018 32.572 32.600 -0.016 0.000 1.387 423 M HN -0.024 nan 8.290 nan 0.000 0.420 424 T N 0.219 114.602 114.554 -0.284 0.000 2.701 424 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 424 T C 1.181 175.476 174.700 -0.675 0.000 1.040 424 T CA 1.625 63.368 62.100 -0.594 0.000 1.147 424 T CB -0.363 67.856 68.868 -1.082 0.000 0.865 424 T HN 0.430 nan 8.240 nan 0.000 0.426 425 F N -0.480 119.389 119.950 -0.134 0.000 2.656 425 F HA 0.314 4.841 4.527 -0.000 0.000 0.291 425 F C 1.842 177.613 175.800 -0.049 0.000 1.122 425 F CA -0.454 57.459 58.000 -0.145 0.000 1.427 425 F CB -0.327 38.541 39.000 -0.221 0.000 1.125 425 F HN 0.019 nan 8.300 nan 0.000 0.583 426 F N 2.808 122.805 119.950 0.078 0.000 2.095 426 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 426 F C -0.862 174.740 175.800 -0.329 0.000 1.104 426 F CA 1.209 59.233 58.000 0.040 0.000 1.232 426 F CB -1.645 37.369 39.000 0.024 0.000 0.987 426 F HN -0.147 nan 8.300 nan 0.000 0.475 427 P HA -0.163 nan 4.420 nan 0.000 0.222 427 P C 1.110 178.051 177.300 -0.598 0.000 1.147 427 P CA 1.516 64.233 63.100 -0.639 0.000 0.790 427 P CB -0.203 31.426 31.700 -0.117 0.000 0.780 428 Q N -1.760 117.790 119.800 -0.417 0.000 2.364 428 Q HA -0.185 4.155 4.340 -0.000 0.000 0.207 428 Q C 1.661 177.430 176.000 -0.384 0.000 0.970 428 Q CA 1.064 56.692 55.803 -0.291 0.000 0.888 428 Q CB -0.609 28.075 28.738 -0.090 0.000 0.951 428 Q HN 0.530 nan 8.270 nan 0.000 0.469 429 H N -0.732 117.962 119.070 -0.628 0.000 2.357 429 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 429 H C 1.467 176.634 175.328 -0.268 0.000 1.082 429 H CA 1.588 57.287 56.048 -0.582 0.000 1.342 429 H CB 0.028 29.231 29.762 -0.932 0.000 1.389 429 H HN 0.193 nan 8.280 nan 0.000 0.511 430 F N 0.418 120.221 119.950 -0.246 0.000 2.102 430 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 430 F C 2.265 178.046 175.800 -0.032 0.000 1.105 430 F CA 0.879 58.739 58.000 -0.232 0.000 1.239 430 F CB -1.098 37.499 39.000 -0.672 0.000 0.991 430 F HN 0.088 nan 8.300 nan 0.000 0.474 431 L N -0.321 120.975 121.223 0.122 0.000 2.079 431 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 431 L C 2.700 179.609 176.870 0.064 0.000 1.081 431 L CA 1.417 56.314 54.840 0.095 0.000 0.752 431 L CB -1.362 40.621 42.059 -0.126 0.000 0.896 431 L HN 0.294 nan 8.230 nan 0.000 0.433 432 G N -0.087 108.781 108.800 0.113 0.000 2.404 432 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.214 432 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.214 432 G C 1.603 176.590 174.900 0.146 0.000 1.189 432 G CA 0.277 45.474 45.100 0.162 0.000 0.789 432 G HN 0.190 nan 8.290 nan 0.000 0.533 433 L N 1.646 122.980 121.223 0.186 0.000 2.042 433 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 433 L C 3.071 180.009 176.870 0.114 0.000 1.076 433 L CA 1.634 56.535 54.840 0.103 0.000 0.749 433 L CB -0.443 41.698 42.059 0.136 0.000 0.893 433 L HN 0.440 nan 8.230 nan 0.000 0.432 434 S N -0.858 114.954 115.700 0.187 0.000 2.607 434 S HA 0.141 4.611 4.470 -0.000 0.000 0.224 434 S C 1.406 176.173 174.600 0.280 0.000 0.969 434 S CA 0.385 58.731 58.200 0.243 0.000 0.927 434 S CB 0.335 63.742 63.200 0.345 0.000 0.772 434 S HN 0.590 nan 8.310 nan 0.000 0.533 435 G N 0.961 109.854 108.800 0.156 0.000 2.144 435 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 435 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 435 G C -0.116 174.740 174.900 -0.073 0.000 0.988 435 G CA 0.028 45.184 45.100 0.094 0.000 0.659 435 G HN 0.581 nan 8.290 nan 0.000 0.522 436 M N 1.655 121.055 119.600 -0.333 0.000 2.227 436 M HA 0.376 4.856 4.480 -0.000 0.000 0.349 436 M C -2.115 174.045 176.300 -0.233 0.000 1.443 436 M CA -1.403 53.543 55.300 -0.591 0.000 1.110 436 M CB 0.672 32.754 32.600 -0.863 0.000 1.773 436 M HN -0.020 nan 8.290 nan 0.000 0.463 437 P HA 0.186 nan 4.420 nan 0.000 0.274 437 P C -1.091 176.028 177.300 -0.303 0.000 1.237 437 P CA -0.123 62.694 63.100 -0.471 0.000 0.793 437 P CB 0.583 31.669 31.700 -1.022 0.000 0.977 438 R N 1.400 121.760 120.500 -0.232 0.000 2.560 438 R HA 0.349 4.689 4.340 -0.000 0.000 0.270 438 R C 0.463 176.787 176.300 0.040 0.000 1.074 438 R CA -0.423 55.590 56.100 -0.145 0.000 1.140 438 R CB 0.155 30.350 30.300 -0.174 0.000 1.073 438 R HN 0.401 nan 8.270 nan 0.000 0.527 439 R N -0.341 120.290 120.500 0.219 0.000 3.770 439 R HA -0.231 4.109 4.340 -0.000 0.000 0.305 439 R C -1.079 175.584 176.300 0.606 0.000 1.184 439 R CA 0.820 57.163 56.100 0.406 0.000 0.823 439 R CB -1.967 28.488 30.300 0.259 0.000 1.285 439 R HN 0.562 nan 8.270 nan 0.000 0.499 440 Y N -0.567 119.892 120.300 0.264 0.000 2.330 440 Y HA 0.138 4.688 4.550 -0.000 0.000 0.336 440 Y C 1.708 177.426 175.900 -0.302 0.000 1.036 440 Y CA -0.272 57.864 58.100 0.060 0.000 1.125 440 Y CB 1.588 40.107 38.460 0.098 0.000 1.194 440 Y HN 0.182 nan 8.280 nan 0.000 0.469 441 S N 0.218 115.646 115.700 -0.453 0.000 2.496 441 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 441 S C -0.086 174.286 174.600 -0.379 0.000 0.996 441 S CA 0.419 58.109 58.200 -0.851 0.000 0.927 441 S CB 0.172 63.051 63.200 -0.535 0.000 0.774 441 S HN 0.701 nan 8.310 nan 0.000 0.524 442 D N -0.522 119.749 120.400 -0.214 0.000 2.609 442 D HA 0.529 5.169 4.640 -0.000 0.000 0.239 442 D C -1.590 174.670 176.300 -0.066 0.000 1.229 442 D CA -0.787 53.057 54.000 -0.261 0.000 0.808 442 D CB 1.670 42.294 40.800 -0.294 0.000 1.448 442 D HN 0.248 nan 8.370 nan 0.000 0.433 443 Y N -1.762 118.585 120.300 0.077 0.000 2.615 443 Y HA 0.771 5.321 4.550 -0.000 0.000 0.341 443 Y C -2.693 173.335 175.900 0.212 0.000 1.089 443 Y CA -2.499 55.723 58.100 0.204 0.000 1.049 443 Y CB -0.119 38.463 38.460 0.203 0.000 1.296 443 Y HN 0.054 nan 8.280 nan 0.000 0.470 444 P HA 0.074 nan 4.420 nan 0.000 0.267 444 P C 0.054 177.500 177.300 0.243 0.000 1.200 444 P CA 0.206 63.466 63.100 0.266 0.000 0.772 444 P CB 0.838 32.687 31.700 0.248 0.000 0.855 445 D N 1.745 122.190 120.400 0.076 0.000 2.172 445 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 445 D C 1.839 178.133 176.300 -0.009 0.000 0.999 445 D CA 1.906 55.934 54.000 0.048 0.000 0.856 445 D CB -0.659 40.133 40.800 -0.013 0.000 0.934 445 D HN 0.389 nan 8.370 nan 0.000 0.453 446 A N -0.047 122.672 122.820 -0.167 0.000 2.076 446 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 446 A C 1.404 178.807 177.584 -0.303 0.000 1.160 446 A CA 0.991 52.852 52.037 -0.294 0.000 0.653 446 A CB -0.832 17.911 19.000 -0.429 0.000 0.801 446 A HN 0.288 nan 8.150 nan 0.000 0.455 447 Y N 0.079 120.408 120.300 0.047 0.000 2.490 447 Y HA 0.040 4.590 4.550 -0.000 0.000 0.281 447 Y C 2.423 178.194 175.900 -0.215 0.000 1.174 447 Y CA 0.584 58.639 58.100 -0.075 0.000 1.295 447 Y CB -1.075 37.298 38.460 -0.145 0.000 1.062 447 Y HN 0.223 nan 8.280 nan 0.000 0.522 448 T N 0.272 114.864 114.554 0.063 0.000 2.684 448 T HA -0.317 4.033 4.350 -0.000 0.000 0.267 448 T C 2.073 176.720 174.700 -0.088 0.000 1.036 448 T CA 1.848 63.993 62.100 0.075 0.000 1.148 448 T CB -0.272 68.663 68.868 0.112 0.000 0.863 448 T HN 0.438 nan 8.240 nan 0.000 0.436 449 M N -0.399 119.055 119.600 -0.242 0.000 2.065 449 M HA -0.129 4.351 4.480 -0.000 0.000 0.259 449 M C 1.990 178.166 176.300 -0.206 0.000 1.071 449 M CA 1.937 57.020 55.300 -0.361 0.000 1.109 449 M CB -0.290 31.872 32.600 -0.730 0.000 1.313 449 M HN 0.416 nan 8.290 nan 0.000 0.408 450 W N 0.440 121.732 121.300 -0.012 0.000 2.363 450 W HA -0.149 4.511 4.660 -0.000 0.000 0.296 450 W C 2.195 178.644 176.519 -0.117 0.000 1.212 450 W CA 0.218 57.555 57.345 -0.013 0.000 1.260 450 W CB -0.666 28.822 29.460 0.047 0.000 1.131 450 W HN 0.341 nan 8.180 nan 0.000 0.530 451 N N -0.108 118.578 118.700 -0.023 0.000 2.244 451 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 451 N C 1.507 176.987 175.510 -0.049 0.000 1.016 451 N CA 1.864 54.811 53.050 -0.171 0.000 0.866 451 N CB -0.445 37.745 38.487 -0.496 0.000 0.980 451 N HN 0.117 nan 8.380 nan 0.000 0.430 452 T N 1.924 116.472 114.554 -0.011 0.000 2.701 452 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 452 T C 2.145 176.852 174.700 0.010 0.000 1.040 452 T CA 0.615 62.716 62.100 0.002 0.000 1.147 452 T CB -0.085 68.777 68.868 -0.011 0.000 0.865 452 T HN 0.159 nan 8.240 nan 0.000 0.426 453 I N 1.103 121.709 120.570 0.061 0.000 2.226 453 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 453 I C 2.808 178.949 176.117 0.040 0.000 1.100 453 I CA 1.043 62.398 61.300 0.092 0.000 1.374 453 I CB -0.449 37.691 38.000 0.233 0.000 1.057 453 I HN 0.254 nan 8.210 nan 0.000 0.413 454 S N 0.272 115.981 115.700 0.015 0.000 2.368 454 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 454 S C 2.205 176.746 174.600 -0.098 0.000 1.030 454 S CA 2.097 60.243 58.200 -0.089 0.000 0.999 454 S CB -0.169 62.952 63.200 -0.132 0.000 0.844 454 S HN 0.409 nan 8.310 nan 0.000 0.459 455 S N 1.038 116.715 115.700 -0.039 0.000 2.402 455 S HA 0.048 4.518 4.470 -0.000 0.000 0.229 455 S C 1.842 176.471 174.600 0.049 0.000 1.021 455 S CA 1.338 59.546 58.200 0.014 0.000 0.974 455 S CB -0.327 62.891 63.200 0.029 0.000 0.800 455 S HN 0.527 nan 8.310 nan 0.000 0.484 456 M N 0.885 120.480 119.600 -0.010 0.000 2.132 456 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 456 M C 2.517 178.848 176.300 0.053 0.000 1.065 456 M CA 1.399 56.691 55.300 -0.015 0.000 1.122 456 M CB -0.804 31.776 32.600 -0.034 0.000 1.365 456 M HN 0.444 nan 8.290 nan 0.000 0.411 457 G N 0.071 108.871 108.800 0.000 0.000 2.442 457 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 457 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 457 G C 1.629 176.510 174.900 -0.031 0.000 1.141 457 G CA 1.301 46.380 45.100 -0.034 0.000 0.763 457 G HN 0.559 nan 8.290 nan 0.000 0.554 458 S N -0.252 115.431 115.700 -0.029 0.000 2.423 458 S HA 0.016 4.486 4.470 -0.000 0.000 0.231 458 S C 2.074 176.707 174.600 0.055 0.000 1.014 458 S CA 0.819 59.003 58.200 -0.027 0.000 0.965 458 S CB -0.514 62.662 63.200 -0.039 0.000 0.785 458 S HN 0.300 nan 8.310 nan 0.000 0.495 459 F N 1.246 121.168 119.950 -0.046 0.000 2.293 459 F HA 0.270 4.797 4.527 -0.000 0.000 0.297 459 F C 2.129 177.924 175.800 -0.007 0.000 1.089 459 F CA 0.652 58.640 58.000 -0.019 0.000 1.377 459 F CB -0.150 38.842 39.000 -0.013 0.000 1.051 459 F HN 0.191 nan 8.300 nan 0.000 0.511 460 I N -1.053 119.607 120.570 0.150 0.000 2.315 460 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 460 I C 2.298 178.448 176.117 0.055 0.000 1.117 460 I CA 1.095 62.448 61.300 0.087 0.000 1.404 460 I CB -0.488 37.546 38.000 0.057 0.000 1.071 460 I HN -0.009 nan 8.210 nan 0.000 0.419 461 S N 0.938 116.658 115.700 0.034 0.000 2.382 461 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 461 S C 1.923 176.542 174.600 0.033 0.000 1.027 461 S CA 1.154 59.379 58.200 0.041 0.000 0.991 461 S CB -0.405 62.817 63.200 0.037 0.000 0.823 461 S HN 0.347 nan 8.310 nan 0.000 0.469 462 L N 2.077 123.283 121.223 -0.028 0.000 2.042 462 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 462 L C 2.133 178.995 176.870 -0.013 0.000 1.076 462 L CA 1.949 56.746 54.840 -0.073 0.000 0.749 462 L CB -1.473 40.446 42.059 -0.234 0.000 0.893 462 L HN 0.174 nan 8.230 nan 0.000 0.432 463 T N 0.059 114.624 114.554 0.018 0.000 2.759 463 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 463 T C 1.913 176.673 174.700 0.099 0.000 1.042 463 T CA 1.389 63.521 62.100 0.054 0.000 1.140 463 T CB -0.556 68.355 68.868 0.072 0.000 0.864 463 T HN 0.574 nan 8.240 nan 0.000 0.455 464 A N 0.882 123.775 122.820 0.122 0.000 1.898 464 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 464 A C 2.567 180.328 177.584 0.295 0.000 1.181 464 A CA 1.191 53.358 52.037 0.217 0.000 0.620 464 A CB -0.883 18.193 19.000 0.126 0.000 0.819 464 A HN 0.365 nan 8.150 nan 0.000 0.442 465 V N 0.074 120.095 119.914 0.178 0.000 2.343 465 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 465 V C 2.628 178.770 176.094 0.080 0.000 1.051 465 V CA 2.173 64.553 62.300 0.133 0.000 1.036 465 V CB -0.756 31.106 31.823 0.065 0.000 0.654 465 V HN 0.562 nan 8.190 nan 0.000 0.451 466 M N -0.902 118.734 119.600 0.060 0.000 2.132 466 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 466 M C 2.259 178.600 176.300 0.068 0.000 1.065 466 M CA 1.712 57.034 55.300 0.036 0.000 1.122 466 M CB -0.504 32.102 32.600 0.009 0.000 1.365 466 M HN 0.345 nan 8.290 nan 0.000 0.411 467 L N 0.689 121.978 121.223 0.111 0.000 2.046 467 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 467 L C 2.472 179.408 176.870 0.111 0.000 1.077 467 L CA 1.681 56.608 54.840 0.145 0.000 0.747 467 L CB -0.554 41.638 42.059 0.222 0.000 0.896 467 L HN 0.291 nan 8.230 nan 0.000 0.432 468 M N -1.752 117.861 119.600 0.022 0.000 2.149 468 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 468 M C 1.978 178.217 176.300 -0.101 0.000 1.064 468 M CA 1.942 57.116 55.300 -0.210 0.000 1.102 468 M CB -0.101 32.286 32.600 -0.356 0.000 1.369 468 M HN 0.168 nan 8.290 nan 0.000 0.408 469 V N 0.746 120.652 119.914 -0.013 0.000 2.343 469 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 469 V C 2.208 178.348 176.094 0.077 0.000 1.051 469 V CA 2.072 64.389 62.300 0.027 0.000 1.036 469 V CB -1.114 30.731 31.823 0.037 0.000 0.654 469 V HN 0.634 nan 8.190 nan 0.000 0.451 470 F N 0.900 120.826 119.950 -0.041 0.000 2.134 470 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 470 F C 2.082 177.893 175.800 0.018 0.000 1.097 470 F CA 1.632 59.621 58.000 -0.019 0.000 1.264 470 F CB -0.393 38.507 39.000 -0.167 0.000 1.001 470 F HN 0.083 nan 8.300 nan 0.000 0.479 471 I N 0.415 120.701 120.570 -0.473 0.000 2.208 471 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 471 I C 2.403 178.275 176.117 -0.408 0.000 1.097 471 I CA 1.630 62.584 61.300 -0.576 0.000 1.363 471 I CB -0.548 37.295 38.000 -0.261 0.000 1.051 471 I HN 0.196 nan 8.210 nan 0.000 0.413 472 I N -0.559 119.878 120.570 -0.222 0.000 2.315 472 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 472 I C 2.457 178.586 176.117 0.020 0.000 1.117 472 I CA 1.382 62.596 61.300 -0.144 0.000 1.404 472 I CB -0.432 37.604 38.000 0.060 0.000 1.071 472 I HN 0.416 nan 8.210 nan 0.000 0.419 473 W N 2.326 123.559 121.300 -0.111 0.000 2.355 473 W HA -0.235 4.425 4.660 -0.000 0.000 0.309 473 W C 2.487 178.929 176.519 -0.128 0.000 1.206 473 W CA 1.717 59.042 57.345 -0.033 0.000 1.284 473 W CB -0.255 29.168 29.460 -0.062 0.000 1.145 473 W HN 0.037 nan 8.180 nan 0.000 0.502 474 E N 0.760 120.637 120.200 -0.538 0.000 2.118 474 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 474 E C 2.107 178.359 176.600 -0.580 0.000 0.992 474 E CA 1.829 57.740 56.400 -0.815 0.000 0.804 474 E CB -0.595 28.654 29.700 -0.752 0.000 0.741 474 E HN 0.350 nan 8.360 nan 0.000 0.458 475 A N 0.049 122.615 122.820 -0.423 0.000 1.877 475 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 475 A C 2.156 179.505 177.584 -0.393 0.000 1.186 475 A CA 1.258 53.098 52.037 -0.328 0.000 0.620 475 A CB -1.023 17.803 19.000 -0.290 0.000 0.822 475 A HN 0.317 nan 8.150 nan 0.000 0.443 476 F N -0.134 119.655 119.950 -0.268 0.000 2.325 476 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 476 F C 2.682 178.186 175.800 -0.493 0.000 1.090 476 F CA 0.598 58.395 58.000 -0.338 0.000 1.392 476 F CB 0.019 38.965 39.000 -0.090 0.000 1.053 476 F HN 0.290 nan 8.300 nan 0.000 0.521 477 A N -0.842 121.681 122.820 -0.496 0.000 1.897 477 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 477 A C 2.281 179.625 177.584 -0.400 0.000 1.181 477 A CA 1.804 53.487 52.037 -0.590 0.000 0.620 477 A CB -0.811 17.433 19.000 -1.260 0.000 0.821 477 A HN 0.248 nan 8.150 nan 0.000 0.443 478 S N -0.824 114.637 115.700 -0.398 0.000 2.414 478 S HA 0.037 4.507 4.470 -0.000 0.000 0.227 478 S C 0.446 174.906 174.600 -0.234 0.000 1.022 478 S CA 0.639 58.687 58.200 -0.253 0.000 0.958 478 S CB -0.155 62.929 63.200 -0.193 0.000 0.797 478 S HN 0.564 nan 8.310 nan 0.000 0.493 479 K N 1.085 121.245 120.400 -0.399 0.000 3.393 479 K HA -0.161 4.159 4.320 -0.000 0.000 0.272 479 K C -0.883 175.669 176.600 -0.079 0.000 1.004 479 K CA 0.269 56.273 56.287 -0.472 0.000 0.764 479 K CB -1.109 31.217 32.500 -0.289 0.000 1.373 479 K HN 0.349 nan 8.250 nan 0.000 0.458 480 R N 1.835 122.328 120.500 -0.012 0.000 2.308 480 R HA 0.099 4.439 4.340 -0.000 0.000 0.325 480 R C -0.107 176.317 176.300 0.207 0.000 1.161 480 R CA -0.220 55.929 56.100 0.083 0.000 1.022 480 R CB 0.478 30.806 30.300 0.047 0.000 1.091 480 R HN 0.246 nan 8.270 nan 0.000 0.497 481 E N 1.949 122.274 120.200 0.208 0.000 2.344 481 E HA 0.047 4.397 4.350 -0.000 0.000 0.270 481 E C -0.064 176.582 176.600 0.077 0.000 1.021 481 E CA -0.306 56.191 56.400 0.161 0.000 0.887 481 E CB 1.261 31.032 29.700 0.118 0.000 0.997 481 E HN 0.201 nan 8.360 nan 0.000 0.429 482 V N 5.086 125.023 119.914 0.039 0.000 2.673 482 V HA -0.095 4.025 4.120 -0.000 0.000 0.303 482 V C 1.182 177.293 176.094 0.029 0.000 1.046 482 V CA 0.698 63.016 62.300 0.031 0.000 1.126 482 V CB 0.479 32.321 31.823 0.032 0.000 0.934 482 V HN 0.725 nan 8.190 nan 0.000 0.487 483 L N 2.594 123.832 121.223 0.025 0.000 2.630 483 L HA 0.269 4.609 4.340 -0.000 0.000 0.180 483 L C 0.886 177.768 176.870 0.020 0.000 1.221 483 L CA 0.643 55.497 54.840 0.023 0.000 0.853 483 L CB 0.426 42.496 42.059 0.018 0.000 1.172 483 L HN 0.625 nan 8.230 nan 0.000 0.508 484 T N -0.228 114.328 114.554 0.004 0.000 2.893 484 T HA 0.576 4.926 4.350 -0.000 0.000 0.291 484 T C -1.083 173.586 174.700 -0.052 0.000 1.028 484 T CA -0.266 61.829 62.100 -0.008 0.000 0.995 484 T CB 2.767 71.631 68.868 -0.007 0.000 1.051 484 T HN -0.221 nan 8.240 nan 0.000 0.470 485 V N 2.641 122.508 119.914 -0.079 0.000 2.656 485 V HA 0.424 4.544 4.120 -0.000 0.000 0.307 485 V C -0.451 175.560 176.094 -0.139 0.000 1.051 485 V CA -0.824 61.360 62.300 -0.194 0.000 0.893 485 V CB 2.203 33.777 31.823 -0.416 0.000 0.999 485 V HN 0.849 nan 8.190 nan 0.000 0.426 486 D N 2.678 122.995 120.400 -0.139 0.000 2.329 486 D HA 0.474 5.114 4.640 -0.000 0.000 0.246 486 D C 0.756 176.957 176.300 -0.164 0.000 1.111 486 D CA 0.098 54.014 54.000 -0.140 0.000 0.941 486 D CB 1.007 41.701 40.800 -0.178 0.000 1.169 486 D HN 0.531 nan 8.370 nan 0.000 0.441 487 L N 0.889 122.016 121.223 -0.159 0.000 4.089 487 L HA -0.302 4.038 4.340 -0.000 0.000 0.408 487 L C 1.614 178.497 176.870 0.021 0.000 1.184 487 L CA 0.706 55.465 54.840 -0.135 0.000 0.947 487 L CB -2.425 39.413 42.059 -0.370 0.000 2.066 487 L HN 0.601 nan 8.230 nan 0.000 0.851 488 T N -5.227 109.357 114.554 0.050 0.000 2.962 488 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 488 T C 1.735 176.524 174.700 0.148 0.000 1.088 488 T CA 1.450 63.637 62.100 0.145 0.000 1.127 488 T CB -0.419 68.533 68.868 0.141 0.000 0.883 488 T HN 0.603 nan 8.240 nan 0.000 0.493 489 T N 0.663 115.271 114.554 0.089 0.000 2.929 489 T HA -0.089 4.261 4.350 -0.000 0.000 0.271 489 T C 1.704 176.466 174.700 0.104 0.000 1.085 489 T CA 1.449 63.601 62.100 0.086 0.000 1.125 489 T CB -0.909 67.987 68.868 0.047 0.000 0.874 489 T HN 0.656 nan 8.240 nan 0.000 0.494 490 T N -1.236 113.387 114.554 0.114 0.000 3.252 490 T HA 0.351 4.701 4.350 -0.000 0.000 0.286 490 T C 0.051 174.883 174.700 0.220 0.000 1.013 490 T CA -0.841 61.337 62.100 0.131 0.000 0.914 490 T CB -0.107 68.804 68.868 0.073 0.000 1.131 490 T HN 0.280 nan 8.240 nan 0.000 0.529 491 N N 1.352 120.231 118.700 0.299 0.000 2.716 491 N HA 0.173 4.913 4.740 -0.000 0.000 0.245 491 N C 0.350 176.145 175.510 0.476 0.000 1.495 491 N CA -0.275 53.054 53.050 0.465 0.000 0.759 491 N CB 1.710 40.559 38.487 0.602 0.000 1.261 491 N HN 0.052 nan 8.380 nan 0.000 0.515 492 L N 2.099 123.545 121.223 0.372 0.000 2.129 492 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 492 L C 2.459 179.556 176.870 0.378 0.000 1.087 492 L CA 2.012 57.060 54.840 0.347 0.000 0.757 492 L CB -0.112 42.116 42.059 0.282 0.000 0.896 492 L HN 0.436 nan 8.230 nan 0.000 0.434 493 E N -1.550 118.861 120.200 0.353 0.000 2.265 493 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 493 E C 1.685 178.350 176.600 0.108 0.000 0.996 493 E CA 1.614 58.147 56.400 0.222 0.000 0.832 493 E CB -0.907 28.857 29.700 0.106 0.000 0.756 493 E HN 0.708 nan 8.360 nan 0.000 0.491 494 W N 0.121 121.557 121.300 0.225 0.000 3.077 494 W HA 0.219 4.879 4.660 -0.000 0.000 0.266 494 W C 1.698 178.287 176.519 0.116 0.000 1.300 494 W CA -0.560 56.871 57.345 0.144 0.000 1.586 494 W CB -0.017 29.509 29.460 0.110 0.000 1.103 494 W HN 0.048 nan 8.180 nan 0.000 0.652 495 L N 1.127 122.553 121.223 0.338 0.000 2.450 495 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 495 L C 1.156 178.100 176.870 0.123 0.000 1.149 495 L CA 1.546 56.521 54.840 0.224 0.000 0.816 495 L CB -0.632 41.564 42.059 0.228 0.000 0.932 495 L HN 0.028 nan 8.230 nan 0.000 0.449 496 N N -0.105 118.648 118.700 0.089 0.000 2.251 496 N HA 0.227 4.967 4.740 -0.000 0.000 0.217 496 N C 0.702 176.239 175.510 0.044 0.000 1.124 496 N CA 0.749 53.800 53.050 0.002 0.000 0.843 496 N CB 0.574 38.996 38.487 -0.108 0.000 1.024 496 N HN 0.328 nan 8.380 nan 0.000 0.501 497 G N 0.536 109.395 108.800 0.099 0.000 2.796 497 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.571 497 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.571 497 G C -0.747 174.206 174.900 0.088 0.000 1.370 497 G CA -0.699 44.458 45.100 0.096 0.000 0.856 497 G HN 0.295 nan 8.290 nan 0.000 0.538 498 C N 2.374 121.709 119.300 0.060 0.000 2.344 498 C HA 0.720 5.180 4.460 -0.000 0.000 0.326 498 C C -1.429 173.524 174.990 -0.063 0.000 1.201 498 C CA -0.850 58.168 59.018 -0.001 0.000 1.410 498 C CB 1.154 28.908 27.740 0.023 0.000 2.070 498 C HN 0.832 nan 8.230 nan 0.000 0.445 499 P HA 0.405 nan 4.420 nan 0.000 0.279 499 P C -2.636 174.706 177.300 0.070 0.000 1.252 499 P CA -1.344 61.767 63.100 0.018 0.000 0.811 499 P CB 0.464 32.208 31.700 0.073 0.000 1.035 500 P HA 0.182 nan 4.420 nan 0.000 0.272 500 P C -2.266 175.069 177.300 0.058 0.000 1.230 500 P CA -1.311 61.840 63.100 0.085 0.000 0.788 500 P CB -0.978 30.795 31.700 0.122 0.000 0.949 501 P HA -0.041 nan 4.420 nan 0.000 0.270 501 P C 0.817 178.124 177.300 0.013 0.000 1.223 501 P CA -0.064 63.058 63.100 0.036 0.000 0.785 501 P CB 0.523 32.246 31.700 0.039 0.000 0.923 502 Y N 1.825 122.042 120.300 -0.137 0.000 2.062 502 Y HA -0.264 4.286 4.550 -0.000 0.000 0.276 502 Y C 0.937 176.645 175.900 -0.318 0.000 1.189 502 Y CA 1.819 59.746 58.100 -0.287 0.000 1.130 502 Y CB -0.549 37.704 38.460 -0.346 0.000 0.959 502 Y HN 0.432 nan 8.280 nan 0.000 0.499 503 H N -0.184 118.922 119.070 0.060 0.000 2.519 503 H HA 0.359 4.915 4.556 -0.000 0.000 0.316 503 H C -0.252 175.063 175.328 -0.021 0.000 1.065 503 H CA -0.173 55.873 56.048 -0.003 0.000 1.264 503 H CB 1.031 30.832 29.762 0.066 0.000 1.413 503 H HN 0.056 nan 8.280 nan 0.000 0.465 504 T N -0.175 114.441 114.554 0.104 0.000 2.924 504 T HA 0.330 4.680 4.350 -0.000 0.000 0.291 504 T C -0.235 174.503 174.700 0.064 0.000 1.045 504 T CA -0.974 61.096 62.100 -0.049 0.000 1.015 504 T CB 0.986 69.770 68.868 -0.139 0.000 1.103 504 T HN 0.568 nan 8.240 nan 0.000 0.496 505 F N -0.492 119.495 119.950 0.061 0.000 3.091 505 F HA -0.196 4.331 4.527 -0.000 0.000 0.288 505 F C 1.238 177.051 175.800 0.021 0.000 0.907 505 F CA 0.370 58.393 58.000 0.039 0.000 1.028 505 F CB -2.495 36.519 39.000 0.024 0.000 1.022 505 F HN 0.807 nan 8.300 nan 0.000 0.665 506 E N 0.254 120.517 120.200 0.104 0.000 2.150 506 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 506 E C 1.105 177.739 176.600 0.057 0.000 0.985 506 E CA 1.270 57.699 56.400 0.049 0.000 0.814 506 E CB 0.101 29.798 29.700 -0.005 0.000 0.752 506 E HN 0.623 nan 8.360 nan 0.000 0.466 507 E N 1.783 122.030 120.200 0.078 0.000 2.114 507 E HA 0.153 4.503 4.350 -0.000 0.000 0.266 507 E C -2.381 174.310 176.600 0.153 0.000 0.896 507 E CA -2.679 53.772 56.400 0.086 0.000 0.750 507 E CB 0.939 30.679 29.700 0.066 0.000 1.121 507 E HN -0.150 nan 8.360 nan 0.000 0.413 508 P HA -0.027 nan 4.420 nan 0.000 0.271 508 P C -0.118 177.296 177.300 0.189 0.000 1.233 508 P CA -0.259 62.938 63.100 0.163 0.000 0.789 508 P CB 0.491 32.231 31.700 0.067 0.000 0.951 509 T N -1.260 113.406 114.554 0.188 0.000 2.802 509 T HA 0.126 4.476 4.350 -0.000 0.000 0.305 509 T C -0.390 174.406 174.700 0.160 0.000 1.053 509 T CA -0.254 61.964 62.100 0.196 0.000 1.058 509 T CB 0.079 69.036 68.868 0.149 0.000 0.988 509 T HN 0.393 nan 8.240 nan 0.000 0.539 510 Y N 1.340 121.677 120.300 0.062 0.000 2.353 510 Y HA 0.552 5.102 4.550 -0.000 0.000 0.340 510 Y C -1.274 174.646 175.900 0.033 0.000 0.972 510 Y CA -1.116 57.008 58.100 0.040 0.000 1.157 510 Y CB 0.834 39.318 38.460 0.040 0.000 1.157 510 Y HN 0.571 nan 8.280 nan 0.000 0.495 511 V N 6.697 126.370 119.914 -0.401 0.000 2.488 511 V HA 0.238 4.358 4.120 -0.000 0.000 0.293 511 V C -0.519 175.333 176.094 -0.402 0.000 1.027 511 V CA -1.245 60.898 62.300 -0.262 0.000 0.862 511 V CB 1.442 33.198 31.823 -0.112 0.000 1.008 511 V HN 0.859 nan 8.190 nan 0.000 0.428 512 N N 2.919 121.427 118.700 -0.320 0.000 2.479 512 N HA 0.184 4.924 4.740 -0.000 0.000 0.257 512 N C 0.673 176.119 175.510 -0.108 0.000 1.232 512 N CA -0.401 52.526 53.050 -0.204 0.000 0.920 512 N CB 0.947 39.424 38.487 -0.017 0.000 1.105 512 N HN 0.561 nan 8.380 nan 0.000 0.444 513 L N 1.780 122.953 121.223 -0.083 0.000 2.416 513 L HA 0.173 4.513 4.340 -0.000 0.000 0.216 513 L C 0.357 177.216 176.870 -0.018 0.000 1.098 513 L CA 1.048 55.860 54.840 -0.047 0.000 0.840 513 L CB -0.418 41.614 42.059 -0.045 0.000 0.981 513 L HN 0.710 nan 8.230 nan 0.000 0.462 514 K N 0.000 120.395 120.400 -0.009 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.291 56.287 0.007 0.000 0.838 514 K CB 0.000 32.507 32.500 0.011 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543