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 2zxw_1_A 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 0.000 175.810 175.800 0.016 0.000 0.967 2 F CA 0.000 58.038 58.000 0.063 0.000 1.383 2 F CB 0.000 39.055 39.000 0.091 0.000 1.145 3 I N 1.766 122.293 120.570 -0.072 0.000 2.208 3 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 3 I C 1.625 177.339 176.117 -0.672 0.000 1.097 3 I CA 1.928 63.007 61.300 -0.369 0.000 1.363 3 I CB -0.528 37.269 38.000 -0.338 0.000 1.051 3 I HN 0.277 nan 8.210 nan 0.000 0.413 4 N N 0.357 118.767 118.700 -0.483 0.000 2.289 4 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 4 N C 1.849 177.185 175.510 -0.290 0.000 1.016 4 N CA 1.003 53.849 53.050 -0.340 0.000 0.872 4 N CB -0.265 38.140 38.487 -0.137 0.000 0.973 4 N HN 0.312 nan 8.380 nan 0.000 0.433 5 R N -1.260 118.976 120.500 -0.439 0.000 2.080 5 R HA 0.022 4.362 4.340 -0.000 0.000 0.222 5 R C 1.032 176.860 176.300 -0.787 0.000 1.107 5 R CA 0.926 56.623 56.100 -0.672 0.000 0.980 5 R CB -0.031 29.722 30.300 -0.912 0.000 0.879 5 R HN 0.255 nan 8.270 nan 0.000 0.439 6 W N -1.049 120.013 121.300 -0.397 0.000 2.993 6 W HA 0.196 4.856 4.660 -0.000 0.000 0.290 6 W C 0.966 177.478 176.519 -0.011 0.000 1.203 6 W CA -0.602 56.564 57.345 -0.298 0.000 1.582 6 W CB 0.545 29.647 29.460 -0.596 0.000 1.033 6 W HN 0.058 nan 8.180 nan 0.000 0.594 7 L N -1.501 119.749 121.223 0.045 0.000 2.575 7 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 7 L C 0.797 177.853 176.870 0.309 0.000 1.075 7 L CA 0.905 55.789 54.840 0.073 0.000 0.867 7 L CB -0.409 41.472 42.059 -0.297 0.000 1.097 7 L HN -0.144 nan 8.230 nan 0.000 0.485 8 F N -1.370 118.577 119.950 -0.005 0.000 2.668 8 F HA 0.389 4.916 4.527 -0.000 0.000 0.301 8 F C 1.340 177.136 175.800 -0.006 0.000 1.106 8 F CA -1.158 56.831 58.000 -0.018 0.000 1.289 8 F CB -1.030 37.937 39.000 -0.055 0.000 1.006 8 F HN -0.200 nan 8.300 nan 0.000 0.535 9 S N 0.913 116.714 115.700 0.169 0.000 2.559 9 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 9 S C 1.139 175.773 174.600 0.058 0.000 1.336 9 S CA 0.941 59.164 58.200 0.039 0.000 1.037 9 S CB 0.347 63.520 63.200 -0.046 0.000 0.853 9 S HN 0.479 nan 8.310 nan 0.000 0.523 10 T N 0.893 115.454 114.554 0.010 0.000 3.399 10 T HA 0.294 4.644 4.350 -0.000 0.000 0.305 10 T C -0.216 174.439 174.700 -0.076 0.000 0.983 10 T CA -0.653 61.448 62.100 0.002 0.000 0.967 10 T CB -0.491 68.400 68.868 0.039 0.000 1.186 10 T HN 0.554 nan 8.240 nan 0.000 0.504 11 N N 1.527 120.106 118.700 -0.202 0.000 2.417 11 N HA 0.154 4.894 4.740 -0.000 0.000 0.274 11 N C 0.944 176.188 175.510 -0.444 0.000 0.987 11 N CA -0.285 52.495 53.050 -0.450 0.000 0.912 11 N CB 1.444 39.398 38.487 -0.887 0.000 1.177 11 N HN 0.528 nan 8.380 nan 0.000 0.490 12 H N 3.239 122.055 119.070 -0.424 0.000 2.456 12 H HA 0.014 4.570 4.556 -0.000 0.000 0.296 12 H C 0.928 175.896 175.328 -0.600 0.000 1.079 12 H CA 1.351 57.159 56.048 -0.399 0.000 1.322 12 H CB 0.348 29.915 29.762 -0.326 0.000 1.388 12 H HN 0.499 nan 8.280 nan 0.000 0.538 13 K N 0.286 119.788 120.400 -1.498 0.000 2.044 13 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 13 K C 1.564 177.441 176.600 -1.206 0.000 1.049 13 K CA 1.082 56.250 56.287 -1.865 0.000 0.945 13 K CB 0.116 31.410 32.500 -2.009 0.000 0.724 13 K HN 0.225 nan 8.250 nan 0.000 0.440 14 D N 1.495 121.438 120.400 -0.760 0.000 2.092 14 D HA -0.146 4.494 4.640 -0.000 0.000 0.193 14 D C 1.916 178.100 176.300 -0.194 0.000 0.994 14 D CA 1.102 54.899 54.000 -0.338 0.000 0.828 14 D CB -0.303 40.201 40.800 -0.494 0.000 0.963 14 D HN 0.105 nan 8.370 nan 0.000 0.450 15 I N 0.916 121.316 120.570 -0.283 0.000 2.151 15 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 15 I C 2.535 178.582 176.117 -0.117 0.000 1.080 15 I CA 1.519 62.684 61.300 -0.225 0.000 1.339 15 I CB -0.576 37.358 38.000 -0.111 0.000 1.039 15 I HN 0.051 nan 8.210 nan 0.000 0.409 16 G N -0.144 108.548 108.800 -0.181 0.000 2.469 16 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 16 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 16 G C 1.637 176.586 174.900 0.081 0.000 1.136 16 G CA 1.601 46.666 45.100 -0.057 0.000 0.759 16 G HN 0.318 nan 8.290 nan 0.000 0.562 17 T N 0.963 115.530 114.554 0.023 0.000 2.896 17 T HA 0.087 4.437 4.350 -0.000 0.000 0.263 17 T C 2.426 177.118 174.700 -0.013 0.000 1.050 17 T CA 0.460 62.648 62.100 0.147 0.000 1.140 17 T CB -0.115 68.892 68.868 0.232 0.000 0.877 17 T HN 0.148 nan 8.240 nan 0.000 0.457 18 L N -0.281 120.811 121.223 -0.219 0.000 2.012 18 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 18 L C 2.378 179.004 176.870 -0.407 0.000 1.073 18 L CA 1.690 56.158 54.840 -0.620 0.000 0.748 18 L CB -0.627 40.559 42.059 -1.456 0.000 0.891 18 L HN 0.270 nan 8.230 nan 0.000 0.431 19 Y N 0.060 120.189 120.300 -0.285 0.000 2.128 19 Y HA -0.265 4.285 4.550 -0.000 0.000 0.284 19 Y C 2.464 178.483 175.900 0.198 0.000 1.154 19 Y CA 1.461 59.634 58.100 0.122 0.000 1.149 19 Y CB -0.447 38.076 38.460 0.105 0.000 0.976 19 Y HN 0.055 nan 8.280 nan 0.000 0.505 20 L N -0.951 120.430 121.223 0.263 0.000 2.046 20 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 20 L C 2.281 179.283 176.870 0.220 0.000 1.077 20 L CA 1.185 56.140 54.840 0.191 0.000 0.747 20 L CB -0.736 41.406 42.059 0.137 0.000 0.896 20 L HN 0.253 nan 8.230 nan 0.000 0.432 21 L N -1.448 119.893 121.223 0.197 0.000 2.017 21 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 21 L C 2.559 179.592 176.870 0.272 0.000 1.073 21 L CA 1.316 56.267 54.840 0.184 0.000 0.745 21 L CB -0.581 41.526 42.059 0.081 0.000 0.894 21 L HN 0.147 nan 8.230 nan 0.000 0.432 22 F N 0.996 121.069 119.950 0.205 0.000 2.046 22 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 22 F C 2.314 178.332 175.800 0.363 0.000 1.123 22 F CA 1.824 59.994 58.000 0.283 0.000 1.199 22 F CB -0.766 38.434 39.000 0.333 0.000 0.972 22 F HN 0.007 nan 8.300 nan 0.000 0.474 23 G N -0.437 108.656 108.800 0.489 0.000 2.469 23 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 23 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 23 G C 1.775 176.791 174.900 0.194 0.000 1.150 23 G CA 1.026 46.330 45.100 0.340 0.000 0.763 23 G HN 0.663 nan 8.290 nan 0.000 0.561 24 A N -0.270 122.653 122.820 0.173 0.000 1.898 24 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 24 A C 2.159 179.816 177.584 0.122 0.000 1.181 24 A CA 1.557 53.652 52.037 0.096 0.000 0.620 24 A CB -0.743 18.302 19.000 0.075 0.000 0.819 24 A HN 0.534 nan 8.150 nan 0.000 0.442 25 W N 0.588 121.876 121.300 -0.021 0.000 2.355 25 W HA -0.151 4.509 4.660 -0.000 0.000 0.309 25 W C 2.551 179.058 176.519 -0.020 0.000 1.206 25 W CA 2.391 59.705 57.345 -0.052 0.000 1.284 25 W CB -0.221 29.173 29.460 -0.110 0.000 1.145 25 W HN 0.366 nan 8.180 nan 0.000 0.502 26 A N 0.461 123.414 122.820 0.222 0.000 1.908 26 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 26 A C 2.212 179.836 177.584 0.067 0.000 1.181 26 A CA 2.166 54.340 52.037 0.229 0.000 0.627 26 A CB -1.728 17.395 19.000 0.206 0.000 0.818 26 A HN 0.429 nan 8.150 nan 0.000 0.445 27 G N -0.891 107.934 108.800 0.041 0.000 2.442 27 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 27 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 27 G C 1.495 176.368 174.900 -0.045 0.000 1.141 27 G CA 1.341 46.446 45.100 0.008 0.000 0.763 27 G HN 0.379 nan 8.290 nan 0.000 0.554 28 M N 0.379 119.900 119.600 -0.133 0.000 2.132 28 M HA 0.004 4.484 4.480 -0.000 0.000 0.263 28 M C 2.779 178.951 176.300 -0.213 0.000 1.065 28 M CA 0.741 55.922 55.300 -0.197 0.000 1.122 28 M CB -1.241 31.169 32.600 -0.316 0.000 1.365 28 M HN 0.113 nan 8.290 nan 0.000 0.411 29 V N 0.622 120.363 119.914 -0.288 0.000 2.295 29 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 29 V C 2.691 178.776 176.094 -0.015 0.000 1.049 29 V CA 2.168 64.354 62.300 -0.190 0.000 1.024 29 V CB -1.765 30.000 31.823 -0.098 0.000 0.648 29 V HN 0.576 nan 8.190 nan 0.000 0.447 30 G N -0.688 108.130 108.800 0.030 0.000 2.448 30 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 30 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 30 G C 1.649 176.627 174.900 0.131 0.000 1.127 30 G CA 1.543 46.690 45.100 0.078 0.000 0.766 30 G HN 0.500 nan 8.290 nan 0.000 0.552 31 T N 1.407 115.992 114.554 0.053 0.000 2.812 31 T HA 0.152 4.502 4.350 -0.000 0.000 0.264 31 T C 2.852 177.553 174.700 0.002 0.000 1.042 31 T CA 1.150 63.275 62.100 0.041 0.000 1.140 31 T CB -0.299 68.568 68.868 -0.002 0.000 0.870 31 T HN 0.354 nan 8.240 nan 0.000 0.445 32 A N 1.680 124.483 122.820 -0.027 0.000 1.873 32 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 32 A C 2.297 179.878 177.584 -0.005 0.000 1.193 32 A CA 1.424 53.437 52.037 -0.041 0.000 0.629 32 A CB -1.024 17.941 19.000 -0.058 0.000 0.826 32 A HN 0.466 nan 8.150 nan 0.000 0.447 33 L N 0.317 121.568 121.223 0.047 0.000 2.083 33 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 33 L C 3.018 179.889 176.870 0.002 0.000 1.083 33 L CA 1.656 56.535 54.840 0.065 0.000 0.752 33 L CB -0.462 41.692 42.059 0.158 0.000 0.899 33 L HN 0.648 nan 8.230 nan 0.000 0.433 34 S N -0.422 115.292 115.700 0.024 0.000 2.428 34 S HA -0.084 4.386 4.470 -0.000 0.000 0.230 34 S C 1.910 176.455 174.600 -0.090 0.000 1.014 34 S CA 0.590 58.702 58.200 -0.146 0.000 0.957 34 S CB -0.413 62.777 63.200 -0.016 0.000 0.784 34 S HN 0.364 nan 8.310 nan 0.000 0.499 35 L N 0.404 121.587 121.223 -0.068 0.000 2.156 35 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 35 L C 2.504 179.367 176.870 -0.010 0.000 1.095 35 L CA 0.736 55.520 54.840 -0.092 0.000 0.770 35 L CB -0.554 41.384 42.059 -0.202 0.000 0.914 35 L HN 0.332 nan 8.230 nan 0.000 0.439 36 L N -0.208 121.014 121.223 -0.001 0.000 2.042 36 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 36 L C 2.477 179.397 176.870 0.083 0.000 1.076 36 L CA 1.447 56.313 54.840 0.043 0.000 0.749 36 L CB -0.357 41.718 42.059 0.028 0.000 0.893 36 L HN 0.198 nan 8.230 nan 0.000 0.432 37 I N -0.668 119.919 120.570 0.028 0.000 2.127 37 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 37 I C 2.528 178.759 176.117 0.189 0.000 1.075 37 I CA 1.299 62.659 61.300 0.100 0.000 1.334 37 I CB -0.383 37.585 38.000 -0.054 0.000 1.040 37 I HN 0.265 nan 8.210 nan 0.000 0.405 38 R N 0.722 121.284 120.500 0.103 0.000 2.276 38 R HA 0.088 4.428 4.340 -0.000 0.000 0.203 38 R C 2.148 178.550 176.300 0.170 0.000 1.017 38 R CA 0.970 57.141 56.100 0.119 0.000 1.010 38 R CB -0.294 30.046 30.300 0.067 0.000 0.900 38 R HN 0.356 nan 8.270 nan 0.000 0.469 39 A N 1.316 124.247 122.820 0.186 0.000 1.897 39 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 39 A C 2.084 179.754 177.584 0.145 0.000 1.181 39 A CA 1.335 53.487 52.037 0.192 0.000 0.620 39 A CB -0.217 18.893 19.000 0.182 0.000 0.821 39 A HN 0.177 nan 8.150 nan 0.000 0.443 40 E N 0.146 120.445 120.200 0.165 0.000 2.153 40 E HA -0.080 4.269 4.350 -0.000 0.000 0.194 40 E C 1.432 178.096 176.600 0.107 0.000 0.988 40 E CA 1.167 57.652 56.400 0.142 0.000 0.811 40 E CB -0.262 29.580 29.700 0.237 0.000 0.746 40 E HN 0.569 nan 8.360 nan 0.000 0.466 41 L N -1.187 120.132 121.223 0.160 0.000 2.693 41 L HA 0.333 4.673 4.340 -0.000 0.000 0.235 41 L C 1.876 178.880 176.870 0.224 0.000 1.127 41 L CA 0.324 55.301 54.840 0.229 0.000 0.914 41 L CB 0.410 42.586 42.059 0.195 0.000 1.193 41 L HN 0.197 nan 8.230 nan 0.000 0.502 42 G N 0.259 109.140 108.800 0.136 0.000 2.572 42 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.216 42 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.216 42 G C 0.514 175.464 174.900 0.083 0.000 1.133 42 G CA 0.183 45.333 45.100 0.083 0.000 0.791 42 G HN 0.483 nan 8.290 nan 0.000 0.538 43 Q N -0.655 119.205 119.800 0.100 0.000 2.462 43 Q HA 0.549 4.889 4.340 -0.000 0.000 0.285 43 Q C -3.293 172.720 176.000 0.021 0.000 1.035 43 Q CA -2.161 53.689 55.803 0.077 0.000 0.799 43 Q CB 1.956 30.702 28.738 0.014 0.000 1.452 43 Q HN -0.135 nan 8.270 nan 0.000 0.404 44 P HA 0.428 nan 4.420 nan 0.000 0.269 44 P C -0.131 177.050 177.300 -0.198 0.000 1.209 44 P CA 1.133 64.074 63.100 -0.265 0.000 0.776 44 P CB 0.712 32.317 31.700 -0.157 0.000 0.876 45 G N 0.594 109.241 108.800 -0.254 0.000 2.384 45 G HA2 0.031 3.991 3.960 -0.000 0.000 0.668 45 G HA3 0.031 3.991 3.960 -0.000 0.000 0.668 45 G C -1.235 173.578 174.900 -0.145 0.000 1.280 45 G CA -0.844 44.161 45.100 -0.158 0.000 0.992 45 G HN 0.520 nan 8.290 nan 0.000 0.512 46 T N 0.814 115.311 114.554 -0.094 0.000 2.771 46 T HA 0.514 4.864 4.350 -0.000 0.000 0.281 46 T C 1.117 175.799 174.700 -0.030 0.000 0.982 46 T CA 0.262 62.321 62.100 -0.067 0.000 0.978 46 T CB 1.595 70.430 68.868 -0.056 0.000 0.930 46 T HN 0.902 nan 8.240 nan 0.000 0.447 47 L N 4.204 125.424 121.223 -0.005 0.000 2.347 47 L HA 0.442 4.782 4.340 -0.000 0.000 0.196 47 L C 1.598 178.490 176.870 0.036 0.000 1.072 47 L CA 1.124 55.977 54.840 0.021 0.000 0.817 47 L CB -0.205 41.880 42.059 0.043 0.000 1.029 47 L HN 0.614 nan 8.230 nan 0.000 0.478 48 L N -1.077 120.180 121.223 0.057 0.000 2.189 48 L HA 0.476 4.816 4.340 -0.000 0.000 0.199 48 L C 1.108 178.011 176.870 0.054 0.000 1.074 48 L CA 0.474 55.354 54.840 0.068 0.000 0.783 48 L CB -0.428 41.695 42.059 0.106 0.000 0.955 48 L HN 0.431 nan 8.230 nan 0.000 0.460 49 G N -0.783 108.048 108.800 0.052 0.000 2.323 49 G HA2 0.136 4.096 3.960 -0.000 0.000 0.291 49 G HA3 0.136 4.096 3.960 -0.000 0.000 0.291 49 G C -1.854 173.069 174.900 0.038 0.000 1.278 49 G CA -0.109 45.015 45.100 0.039 0.000 0.860 49 G HN 0.141 nan 8.290 nan 0.000 0.504 50 D N -0.523 119.896 120.400 0.033 0.000 2.315 50 D HA 0.266 4.906 4.640 -0.000 0.000 0.275 50 D C 0.638 176.974 176.300 0.060 0.000 1.218 50 D CA 0.081 54.091 54.000 0.017 0.000 1.040 50 D CB 0.185 40.988 40.800 0.006 0.000 1.123 50 D HN 0.163 nan 8.370 nan 0.000 0.541 51 D N -1.652 118.777 120.400 0.048 0.000 2.350 51 D HA -0.101 4.539 4.640 -0.000 0.000 0.216 51 D C 1.671 178.075 176.300 0.174 0.000 0.968 51 D CA 0.684 54.756 54.000 0.121 0.000 0.894 51 D CB -0.055 40.784 40.800 0.065 0.000 0.909 51 D HN 0.394 nan 8.370 nan 0.000 0.520 52 Q N 0.788 120.661 119.800 0.122 0.000 2.020 52 Q HA -0.028 4.312 4.340 -0.000 0.000 0.198 52 Q C 2.089 178.171 176.000 0.137 0.000 0.974 52 Q CA 0.839 56.716 55.803 0.124 0.000 0.829 52 Q CB -0.347 28.434 28.738 0.071 0.000 0.894 52 Q HN 0.357 nan 8.270 nan 0.000 0.433 53 I N -0.325 120.320 120.570 0.125 0.000 2.226 53 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 53 I C 1.996 178.196 176.117 0.138 0.000 1.100 53 I CA 1.416 62.788 61.300 0.119 0.000 1.374 53 I CB -0.227 37.835 38.000 0.103 0.000 1.057 53 I HN 0.432 nan 8.210 nan 0.000 0.413 54 Y N 2.206 122.549 120.300 0.071 0.000 2.114 54 Y HA -0.345 4.205 4.550 -0.000 0.000 0.282 54 Y C 2.314 178.271 175.900 0.095 0.000 1.165 54 Y CA 2.329 60.477 58.100 0.080 0.000 1.148 54 Y CB -0.347 38.160 38.460 0.078 0.000 0.972 54 Y HN 0.276 nan 8.280 nan 0.000 0.504 55 N N -0.321 118.448 118.700 0.114 0.000 2.396 55 N HA -0.115 4.625 4.740 -0.000 0.000 0.180 55 N C 1.835 177.354 175.510 0.014 0.000 1.028 55 N CA 1.156 54.228 53.050 0.038 0.000 0.893 55 N CB -0.160 38.418 38.487 0.151 0.000 0.967 55 N HN 0.299 nan 8.380 nan 0.000 0.440 56 V N 0.510 120.458 119.914 0.056 0.000 2.358 56 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 56 V C 2.380 178.500 176.094 0.042 0.000 1.047 56 V CA 1.082 63.428 62.300 0.077 0.000 1.035 56 V CB -0.357 31.529 31.823 0.104 0.000 0.658 56 V HN 0.040 nan 8.190 nan 0.000 0.452 57 V N -0.420 119.480 119.914 -0.023 0.000 2.307 57 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 57 V C 2.430 178.482 176.094 -0.069 0.000 1.045 57 V CA 1.873 64.145 62.300 -0.047 0.000 1.024 57 V CB -0.325 31.434 31.823 -0.107 0.000 0.651 57 V HN 0.391 nan 8.190 nan 0.000 0.449 58 V N -0.060 119.730 119.914 -0.206 0.000 2.287 58 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 58 V C 2.582 178.676 176.094 -0.000 0.000 1.053 58 V CA 2.732 64.950 62.300 -0.136 0.000 1.027 58 V CB -1.038 30.655 31.823 -0.216 0.000 0.646 58 V HN 0.624 nan 8.190 nan 0.000 0.447 59 T N 0.279 114.818 114.554 -0.024 0.000 2.708 59 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 59 T C 2.029 176.709 174.700 -0.033 0.000 1.037 59 T CA 1.710 63.767 62.100 -0.073 0.000 1.146 59 T CB -0.429 68.425 68.868 -0.023 0.000 0.865 59 T HN 0.581 nan 8.240 nan 0.000 0.435 60 A N 1.031 123.924 122.820 0.122 0.000 1.930 60 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 60 A C 1.961 179.648 177.584 0.170 0.000 1.175 60 A CA 2.153 54.328 52.037 0.229 0.000 0.627 60 A CB -0.988 18.151 19.000 0.233 0.000 0.815 60 A HN 0.712 nan 8.150 nan 0.000 0.443 61 H N 0.381 119.469 119.070 0.030 0.000 2.321 61 H HA -0.130 4.426 4.556 -0.000 0.000 0.295 61 H C 2.069 177.372 175.328 -0.041 0.000 1.102 61 H CA 2.569 58.623 56.048 0.010 0.000 1.266 61 H CB -0.310 29.452 29.762 0.000 0.000 1.363 61 H HN 0.377 nan 8.280 nan 0.000 0.492 62 A N -0.122 122.569 122.820 -0.214 0.000 1.873 62 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 62 A C 2.219 179.628 177.584 -0.293 0.000 1.186 62 A CA 1.418 53.175 52.037 -0.466 0.000 0.616 62 A CB -0.998 17.654 19.000 -0.579 0.000 0.823 62 A HN 0.458 nan 8.150 nan 0.000 0.442 63 F N -0.024 119.895 119.950 -0.051 0.000 2.134 63 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 63 F C 2.524 178.220 175.800 -0.173 0.000 1.097 63 F CA 1.026 59.037 58.000 0.019 0.000 1.264 63 F CB -0.871 38.119 39.000 -0.017 0.000 1.001 63 F HN 0.018 nan 8.300 nan 0.000 0.479 64 V N -0.405 119.542 119.914 0.055 0.000 2.261 64 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 64 V C 2.522 178.573 176.094 -0.071 0.000 1.047 64 V CA 1.561 63.866 62.300 0.008 0.000 1.015 64 V CB -0.550 31.353 31.823 0.133 0.000 0.642 64 V HN 0.199 nan 8.190 nan 0.000 0.446 65 M N -1.017 118.480 119.600 -0.173 0.000 2.159 65 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 65 M C 2.052 178.219 176.300 -0.222 0.000 1.063 65 M CA 1.889 57.064 55.300 -0.209 0.000 1.110 65 M CB -0.967 31.411 32.600 -0.371 0.000 1.374 65 M HN 0.298 nan 8.290 nan 0.000 0.411 66 I N -1.744 118.643 120.570 -0.305 0.000 2.270 66 I HA -0.201 3.969 4.170 -0.000 0.000 0.239 66 I C 1.812 177.675 176.117 -0.424 0.000 1.080 66 I CA 0.965 61.999 61.300 -0.443 0.000 1.383 66 I CB -0.256 37.337 38.000 -0.678 0.000 1.097 66 I HN 0.032 nan 8.210 nan 0.000 0.420 67 F N -0.586 119.183 119.950 -0.303 0.000 2.569 67 F HA 0.031 4.558 4.527 -0.000 0.000 0.295 67 F C 1.628 177.272 175.800 -0.260 0.000 1.115 67 F CA 0.725 58.505 58.000 -0.366 0.000 1.450 67 F CB 0.035 38.643 39.000 -0.653 0.000 1.107 67 F HN -0.043 nan 8.300 nan 0.000 0.563 68 F N -2.442 117.612 119.950 0.173 0.000 2.680 68 F HA 0.189 4.716 4.527 -0.000 0.000 0.290 68 F C 1.931 177.854 175.800 0.205 0.000 1.114 68 F CA 0.065 58.184 58.000 0.198 0.000 1.333 68 F CB -0.406 38.461 39.000 -0.222 0.000 1.091 68 F HN -0.116 nan 8.300 nan 0.000 0.606 69 M N -0.354 119.376 119.600 0.216 0.000 2.749 69 M HA 0.092 4.572 4.480 -0.000 0.000 0.240 69 M C 2.063 178.441 176.300 0.130 0.000 1.285 69 M CA 1.166 56.563 55.300 0.162 0.000 1.267 69 M CB -0.484 32.161 32.600 0.075 0.000 1.184 69 M HN -0.072 nan 8.290 nan 0.000 0.526 70 V N 1.529 121.462 119.914 0.032 0.000 2.237 70 V HA -0.322 3.798 4.120 -0.000 0.000 0.245 70 V C 2.579 178.698 176.094 0.041 0.000 1.046 70 V CA 2.120 64.427 62.300 0.011 0.000 1.007 70 V CB -0.725 31.047 31.823 -0.085 0.000 0.638 70 V HN 0.500 nan 8.190 nan 0.000 0.445 71 M N -0.737 118.866 119.600 0.005 0.000 2.099 71 M HA -0.093 4.387 4.480 -0.000 0.000 0.262 71 M C -0.046 176.312 176.300 0.097 0.000 1.067 71 M CA 2.264 57.572 55.300 0.014 0.000 1.124 71 M CB -1.368 31.216 32.600 -0.025 0.000 1.353 71 M HN 0.289 nan 8.290 nan 0.000 0.410 72 P HA -0.108 nan 4.420 nan 0.000 0.215 72 P C 1.403 178.824 177.300 0.202 0.000 1.157 72 P CA 1.316 64.605 63.100 0.317 0.000 0.863 72 P CB -0.085 31.990 31.700 0.625 0.000 0.787 73 I N -1.982 118.724 120.570 0.227 0.000 2.179 73 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 73 I C 2.438 178.693 176.117 0.231 0.000 1.088 73 I CA 1.650 63.062 61.300 0.187 0.000 1.357 73 I CB -0.380 37.743 38.000 0.206 0.000 1.051 73 I HN -0.064 nan 8.210 nan 0.000 0.409 74 M N -0.181 119.568 119.600 0.248 0.000 2.123 74 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 74 M C 2.178 178.602 176.300 0.207 0.000 1.069 74 M CA 2.042 57.529 55.300 0.312 0.000 1.133 74 M CB -0.062 32.639 32.600 0.169 0.000 1.356 74 M HN 0.155 nan 8.290 nan 0.000 0.415 75 I N -1.533 119.048 120.570 0.017 0.000 2.810 75 I HA 0.044 4.214 4.170 -0.000 0.000 0.262 75 I C 2.478 178.507 176.117 -0.146 0.000 1.131 75 I CA 0.821 62.030 61.300 -0.151 0.000 1.453 75 I CB -0.689 37.184 38.000 -0.211 0.000 1.161 75 I HN 0.255 nan 8.210 nan 0.000 0.444 76 G N 0.602 109.173 108.800 -0.382 0.000 2.394 76 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.214 76 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.214 76 G C 1.581 176.166 174.900 -0.524 0.000 1.176 76 G CA 0.825 45.221 45.100 -1.173 0.000 0.786 76 G HN 0.452 nan 8.290 nan 0.000 0.533 77 G N 0.393 109.095 108.800 -0.163 0.000 2.607 77 G HA2 0.043 4.003 3.960 -0.000 0.000 0.215 77 G HA3 0.043 4.003 3.960 -0.000 0.000 0.215 77 G C 1.526 176.444 174.900 0.029 0.000 1.275 77 G CA 0.434 45.518 45.100 -0.025 0.000 0.842 77 G HN 0.285 nan 8.290 nan 0.000 0.555 78 F N 1.805 121.840 119.950 0.141 0.000 2.161 78 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 78 F C 2.932 178.872 175.800 0.233 0.000 1.089 78 F CA 0.855 58.911 58.000 0.094 0.000 1.282 78 F CB -0.224 38.770 39.000 -0.010 0.000 1.010 78 F HN 0.252 nan 8.300 nan 0.000 0.485 79 G N -0.017 109.050 108.800 0.445 0.000 2.433 79 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 79 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 79 G C 1.605 176.819 174.900 0.523 0.000 1.186 79 G CA 0.945 46.277 45.100 0.387 0.000 0.779 79 G HN 0.231 nan 8.290 nan 0.000 0.543 80 N N -0.187 118.753 118.700 0.400 0.000 2.166 80 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 80 N C 1.919 177.556 175.510 0.211 0.000 1.019 80 N CA 0.866 54.034 53.050 0.197 0.000 0.856 80 N CB -0.261 38.256 38.487 0.051 0.000 0.993 80 N HN 0.566 nan 8.380 nan 0.000 0.426 81 W N 1.406 122.717 121.300 0.017 0.000 2.378 81 W HA 0.028 4.688 4.660 -0.000 0.000 0.313 81 W C 2.146 178.696 176.519 0.051 0.000 1.197 81 W CA 0.604 57.900 57.345 -0.081 0.000 1.304 81 W CB -0.257 28.933 29.460 -0.450 0.000 1.148 81 W HN -0.014 nan 8.180 nan 0.000 0.494 82 L N -1.441 119.981 121.223 0.333 0.000 2.202 82 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 82 L C 2.071 179.062 176.870 0.202 0.000 1.083 82 L CA 0.244 55.187 54.840 0.171 0.000 0.790 82 L CB -1.249 40.715 42.059 -0.158 0.000 0.942 82 L HN -0.193 nan 8.230 nan 0.000 0.452 83 V N 0.733 120.797 119.914 0.250 0.000 2.287 83 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 83 V C -0.101 175.995 176.094 0.002 0.000 1.053 83 V CA 2.170 64.567 62.300 0.161 0.000 1.027 83 V CB -1.463 30.491 31.823 0.219 0.000 0.646 83 V HN 0.304 nan 8.190 nan 0.000 0.447 84 P HA -0.155 nan 4.420 nan 0.000 0.214 84 P C 1.958 179.155 177.300 -0.171 0.000 1.163 84 P CA 1.515 64.435 63.100 -0.299 0.000 0.883 84 P CB -0.102 31.121 31.700 -0.795 0.000 0.788 85 L N -1.891 119.342 121.223 0.017 0.000 2.013 85 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 85 L C 2.522 179.432 176.870 0.068 0.000 1.073 85 L CA 1.772 56.724 54.840 0.188 0.000 0.753 85 L CB -0.949 41.288 42.059 0.296 0.000 0.890 85 L HN 0.000 nan 8.230 nan 0.000 0.432 86 M N -0.342 119.307 119.600 0.080 0.000 2.460 86 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 86 M C 1.779 178.082 176.300 0.005 0.000 1.071 86 M CA 1.370 56.737 55.300 0.112 0.000 1.096 86 M CB -0.083 32.642 32.600 0.208 0.000 1.408 86 M HN 0.385 nan 8.290 nan 0.000 0.463 87 I N -4.305 116.196 120.570 -0.115 0.000 4.025 87 I HA 0.481 4.651 4.170 -0.000 0.000 0.336 87 I C 0.902 176.804 176.117 -0.358 0.000 1.390 87 I CA -0.007 61.185 61.300 -0.180 0.000 1.099 87 I CB -0.048 37.857 38.000 -0.158 0.000 1.049 87 I HN 0.281 nan 8.210 nan 0.000 0.394 88 G N 1.900 110.297 108.800 -0.672 0.000 2.198 88 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.260 88 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.260 88 G C 0.293 174.594 174.900 -0.999 0.000 1.025 88 G CA 0.135 44.332 45.100 -1.505 0.000 0.769 88 G HN 0.951 nan 8.290 nan 0.000 0.507 89 A N 0.218 122.705 122.820 -0.556 0.000 2.327 89 A HA 0.819 5.139 4.320 -0.000 0.000 0.283 89 A C -0.108 177.405 177.584 -0.118 0.000 1.127 89 A CA -0.854 51.015 52.037 -0.280 0.000 0.810 89 A CB 1.068 19.908 19.000 -0.266 0.000 1.066 89 A HN 0.103 nan 8.150 nan 0.000 0.492 90 P HA -0.019 nan 4.420 nan 0.000 0.221 90 P C 0.111 177.418 177.300 0.011 0.000 1.150 90 P CA 1.146 64.288 63.100 0.070 0.000 0.800 90 P CB 0.382 32.112 31.700 0.051 0.000 0.787 91 D N -2.835 117.489 120.400 -0.127 0.000 3.010 91 D HA 0.138 4.778 4.640 -0.000 0.000 0.353 91 D C -0.631 175.499 176.300 -0.284 0.000 1.415 91 D CA -0.494 53.392 54.000 -0.190 0.000 0.864 91 D CB 0.594 41.371 40.800 -0.038 0.000 1.445 91 D HN -0.326 nan 8.370 nan 0.000 0.516 92 M N 1.078 120.516 119.600 -0.269 0.000 2.247 92 M HA 0.321 4.801 4.480 -0.000 0.000 0.326 92 M C 1.298 177.407 176.300 -0.317 0.000 1.134 92 M CA -0.042 55.065 55.300 -0.323 0.000 1.136 92 M CB 0.636 33.033 32.600 -0.338 0.000 1.454 92 M HN 0.602 nan 8.290 nan 0.000 0.467 93 A N 1.649 124.181 122.820 -0.480 0.000 1.940 93 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 93 A C 0.491 177.724 177.584 -0.585 0.000 1.176 93 A CA 1.660 53.287 52.037 -0.684 0.000 0.631 93 A CB -0.315 17.982 19.000 -1.172 0.000 0.814 93 A HN 0.605 nan 8.150 nan 0.000 0.446 94 F N -0.953 118.940 119.950 -0.096 0.000 2.550 94 F HA 0.350 4.877 4.527 -0.000 0.000 0.348 94 F C -2.021 173.740 175.800 -0.065 0.000 1.219 94 F CA -2.906 55.054 58.000 -0.067 0.000 1.203 94 F CB 1.009 39.977 39.000 -0.055 0.000 1.436 94 F HN 0.032 nan 8.300 nan 0.000 0.541 95 P HA -0.123 nan 4.420 nan 0.000 0.223 95 P C 1.729 179.061 177.300 0.052 0.000 1.151 95 P CA 1.083 64.195 63.100 0.020 0.000 0.787 95 P CB 0.433 32.133 31.700 0.001 0.000 0.788 96 R N -0.424 120.122 120.500 0.076 0.000 2.066 96 R HA 0.092 4.432 4.340 -0.000 0.000 0.224 96 R C 2.436 178.781 176.300 0.076 0.000 1.122 96 R CA 0.838 56.976 56.100 0.063 0.000 0.974 96 R CB -0.691 29.630 30.300 0.036 0.000 0.871 96 R HN 0.014 nan 8.270 nan 0.000 0.435 97 M N 1.071 120.722 119.600 0.084 0.000 2.149 97 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 97 M C 1.671 178.036 176.300 0.108 0.000 1.064 97 M CA 1.865 57.212 55.300 0.078 0.000 1.102 97 M CB -0.209 32.427 32.600 0.060 0.000 1.369 97 M HN 0.124 nan 8.290 nan 0.000 0.408 98 N N 0.719 119.484 118.700 0.108 0.000 2.205 98 N HA -0.213 4.527 4.740 -0.000 0.000 0.186 98 N C 1.306 176.907 175.510 0.152 0.000 1.015 98 N CA 1.730 54.842 53.050 0.104 0.000 0.862 98 N CB -0.358 38.146 38.487 0.029 0.000 0.986 98 N HN 0.407 nan 8.380 nan 0.000 0.429 99 N N -0.347 118.442 118.700 0.149 0.000 2.331 99 N HA -0.021 4.719 4.740 -0.000 0.000 0.180 99 N C 1.616 177.299 175.510 0.290 0.000 1.019 99 N CA 0.645 53.827 53.050 0.221 0.000 0.881 99 N CB -0.135 38.504 38.487 0.253 0.000 0.972 99 N HN 0.344 nan 8.380 nan 0.000 0.435 100 M N -0.709 119.016 119.600 0.208 0.000 2.288 100 M HA -0.013 4.467 4.480 -0.000 0.000 0.266 100 M C 1.588 177.965 176.300 0.128 0.000 1.072 100 M CA 0.869 56.279 55.300 0.184 0.000 1.132 100 M CB 0.062 32.727 32.600 0.109 0.000 1.386 100 M HN 0.022 nan 8.290 nan 0.000 0.432 101 S N 0.475 116.258 115.700 0.139 0.000 2.383 101 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 101 S C 1.447 176.079 174.600 0.054 0.000 1.030 101 S CA 1.435 59.725 58.200 0.151 0.000 1.002 101 S CB -0.510 62.846 63.200 0.259 0.000 0.829 101 S HN 0.611 nan 8.310 nan 0.000 0.467 102 F N 0.520 120.354 119.950 -0.195 0.000 2.128 102 F HA -0.001 4.526 4.527 -0.000 0.000 0.295 102 F C 1.622 177.053 175.800 -0.614 0.000 1.100 102 F CA 0.962 58.530 58.000 -0.721 0.000 1.260 102 F CB -0.524 37.873 39.000 -1.005 0.000 1.009 102 F HN 0.216 nan 8.300 nan 0.000 0.476 103 W N 0.336 121.413 121.300 -0.371 0.000 2.800 103 W HA 0.054 4.714 4.660 -0.000 0.000 0.249 103 W C 1.911 178.223 176.519 -0.345 0.000 1.294 103 W CA 0.238 57.352 57.345 -0.383 0.000 1.402 103 W CB -0.253 29.169 29.460 -0.064 0.000 1.126 103 W HN 0.004 nan 8.180 nan 0.000 0.652 104 L N -0.150 121.003 121.223 -0.117 0.000 2.376 104 L HA -0.163 4.177 4.340 -0.000 0.000 0.219 104 L C 2.036 178.800 176.870 -0.176 0.000 1.133 104 L CA 0.748 55.540 54.840 -0.080 0.000 0.816 104 L CB -0.417 41.631 42.059 -0.017 0.000 0.933 104 L HN 0.098 nan 8.230 nan 0.000 0.449 105 L N -0.536 120.402 121.223 -0.475 0.000 2.068 105 L HA -0.061 4.279 4.340 -0.000 0.000 0.204 105 L C -0.182 176.484 176.870 -0.339 0.000 1.076 105 L CA 0.935 55.455 54.840 -0.533 0.000 0.753 105 L CB -1.656 39.717 42.059 -1.142 0.000 0.910 105 L HN 0.184 nan 8.230 nan 0.000 0.439 106 P HA -0.111 nan 4.420 nan 0.000 0.215 106 P C -1.409 175.931 177.300 0.068 0.000 1.157 106 P CA 1.545 64.686 63.100 0.067 0.000 0.868 106 P CB -1.093 30.646 31.700 0.064 0.000 0.788 107 P HA -0.187 nan 4.420 nan 0.000 0.215 107 P C 1.922 179.272 177.300 0.083 0.000 1.157 107 P CA 1.873 65.003 63.100 0.050 0.000 0.874 107 P CB -0.578 31.142 31.700 0.034 0.000 0.790 108 S N -1.572 114.179 115.700 0.085 0.000 2.365 108 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 108 S C 1.881 176.604 174.600 0.205 0.000 1.039 108 S CA 1.185 59.479 58.200 0.157 0.000 1.033 108 S CB -1.249 62.079 63.200 0.214 0.000 0.887 108 S HN 0.069 nan 8.310 nan 0.000 0.447 109 F N 0.710 120.542 119.950 -0.196 0.000 2.134 109 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 109 F C 2.102 177.875 175.800 -0.046 0.000 1.097 109 F CA 0.929 58.702 58.000 -0.378 0.000 1.264 109 F CB -0.140 38.544 39.000 -0.526 0.000 1.001 109 F HN 0.309 nan 8.300 nan 0.000 0.479 110 L N 0.770 122.109 121.223 0.193 0.000 2.042 110 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 110 L C 1.951 178.910 176.870 0.149 0.000 1.076 110 L CA 1.760 56.665 54.840 0.109 0.000 0.749 110 L CB -0.833 41.259 42.059 0.054 0.000 0.893 110 L HN 0.159 nan 8.230 nan 0.000 0.432 111 L N -1.388 119.932 121.223 0.162 0.000 2.093 111 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 111 L C 2.510 179.486 176.870 0.177 0.000 1.085 111 L CA 1.274 56.207 54.840 0.156 0.000 0.755 111 L CB -0.535 41.618 42.059 0.157 0.000 0.904 111 L HN 0.378 nan 8.230 nan 0.000 0.435 112 L N -0.242 121.126 121.223 0.242 0.000 2.046 112 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 112 L C 2.422 179.458 176.870 0.276 0.000 1.077 112 L CA 1.458 56.457 54.840 0.266 0.000 0.747 112 L CB -0.091 42.209 42.059 0.402 0.000 0.896 112 L HN 0.141 nan 8.230 nan 0.000 0.432 113 L N -0.339 121.064 121.223 0.300 0.000 2.093 113 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 113 L C 2.852 179.812 176.870 0.150 0.000 1.085 113 L CA 0.954 55.925 54.840 0.218 0.000 0.755 113 L CB -0.948 41.207 42.059 0.159 0.000 0.904 113 L HN 0.376 nan 8.230 nan 0.000 0.435 114 A N 0.542 123.443 122.820 0.135 0.000 1.865 114 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 114 A C 2.562 180.214 177.584 0.114 0.000 1.191 114 A CA 2.389 54.492 52.037 0.109 0.000 0.623 114 A CB -0.959 18.104 19.000 0.104 0.000 0.826 114 A HN 0.518 nan 8.150 nan 0.000 0.444 115 S N 0.402 116.178 115.700 0.127 0.000 2.400 115 S HA -0.173 4.297 4.470 -0.000 0.000 0.232 115 S C 1.952 176.626 174.600 0.125 0.000 1.025 115 S CA 1.927 60.199 58.200 0.120 0.000 0.993 115 S CB -0.864 62.404 63.200 0.114 0.000 0.808 115 S HN 1.023 nan 8.310 nan 0.000 0.478 116 S N 0.288 116.070 115.700 0.136 0.000 2.527 116 S HA 0.227 4.697 4.470 -0.000 0.000 0.222 116 S C 1.771 176.434 174.600 0.105 0.000 0.985 116 S CA 0.245 58.523 58.200 0.129 0.000 0.921 116 S CB -0.312 62.974 63.200 0.143 0.000 0.772 116 S HN 0.385 nan 8.310 nan 0.000 0.529 117 M N 1.880 121.538 119.600 0.097 0.000 2.429 117 M HA 0.249 4.729 4.480 -0.000 0.000 0.265 117 M C 1.089 177.430 176.300 0.069 0.000 1.120 117 M CA 0.547 55.893 55.300 0.077 0.000 1.173 117 M CB -0.554 32.089 32.600 0.072 0.000 1.343 117 M HN 0.401 nan 8.290 nan 0.000 0.464 118 V N -0.053 119.905 119.914 0.073 0.000 2.732 118 V HA 0.287 4.407 4.120 -0.000 0.000 0.297 118 V C 0.740 176.874 176.094 0.067 0.000 1.060 118 V CA -0.882 61.458 62.300 0.066 0.000 1.038 118 V CB 0.885 32.749 31.823 0.069 0.000 1.003 118 V HN 0.600 nan 8.190 nan 0.000 0.481 119 E N 2.815 123.047 120.200 0.054 0.000 3.333 119 E HA -0.340 4.010 4.350 -0.000 0.000 0.342 119 E C 0.888 177.516 176.600 0.046 0.000 1.501 119 E CA 1.981 58.408 56.400 0.044 0.000 1.770 119 E CB -1.653 28.076 29.700 0.048 0.000 1.817 119 E HN 1.575 nan 8.360 nan 0.000 0.485 120 A N 1.651 124.496 122.820 0.043 0.000 2.545 120 A HA 0.515 4.835 4.320 -0.000 0.000 0.277 120 A C 0.867 178.505 177.584 0.090 0.000 1.301 120 A CA 1.419 53.484 52.037 0.046 0.000 0.935 120 A CB -0.227 18.778 19.000 0.008 0.000 1.093 120 A HN 1.368 nan 8.150 nan 0.000 0.519 121 G N -1.007 107.860 108.800 0.112 0.000 2.888 121 G HA2 0.269 4.229 3.960 -0.000 0.000 0.441 121 G HA3 0.269 4.229 3.960 -0.000 0.000 0.441 121 G C 0.152 175.183 174.900 0.218 0.000 1.461 121 G CA -0.297 44.892 45.100 0.147 0.000 0.897 121 G HN 1.776 nan 8.290 nan 0.000 0.547 122 A N 0.424 123.359 122.820 0.190 0.000 2.621 122 A HA 0.705 5.024 4.320 -0.000 0.000 0.329 122 A C 1.009 178.654 177.584 0.102 0.000 1.458 122 A CA 0.843 52.961 52.037 0.135 0.000 1.052 122 A CB 0.151 19.191 19.000 0.065 0.000 1.142 122 A HN 2.292 nan 8.150 nan 0.000 0.523 123 G N 1.628 110.568 108.800 0.234 0.000 3.636 123 G HA2 0.342 4.302 3.960 -0.000 0.000 0.260 123 G HA3 0.342 4.302 3.960 -0.000 0.000 0.260 123 G C 0.732 175.634 174.900 0.003 0.000 1.014 123 G CA 0.560 45.754 45.100 0.156 0.000 1.797 123 G HN 0.760 nan 8.290 nan 0.000 0.637 124 T N -2.672 111.798 114.554 -0.140 0.000 3.010 124 T HA 0.490 4.840 4.350 -0.000 0.000 0.257 124 T C 1.174 175.771 174.700 -0.171 0.000 1.020 124 T CA 0.406 62.380 62.100 -0.209 0.000 0.938 124 T CB 0.645 69.333 68.868 -0.300 0.000 1.049 124 T HN 1.515 nan 8.240 nan 0.000 0.522 125 G N 1.806 110.530 108.800 -0.127 0.000 2.716 125 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 125 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 125 G C 0.283 175.020 174.900 -0.273 0.000 1.337 125 G CA -0.264 44.738 45.100 -0.163 0.000 0.829 125 G HN 0.599 nan 8.290 nan 0.000 0.599 126 W N 0.609 121.590 121.300 -0.531 0.000 2.611 126 W HA -0.022 4.638 4.660 -0.000 0.000 0.251 126 W C 1.487 177.724 176.519 -0.468 0.000 1.265 126 W CA 1.915 58.721 57.345 -0.897 0.000 1.295 126 W CB -1.462 27.459 29.460 -0.898 0.000 1.129 126 W HN 1.027 nan 8.180 nan 0.000 0.630 127 T N -1.020 112.827 114.554 -1.178 0.000 3.067 127 T HA 0.074 4.424 4.350 -0.000 0.000 0.261 127 T C 1.143 175.289 174.700 -0.923 0.000 1.110 127 T CA 0.716 61.786 62.100 -1.717 0.000 1.113 127 T CB -0.781 67.060 68.868 -1.710 0.000 0.917 127 T HN 0.156 nan 8.240 nan 0.000 0.499 128 V N 0.596 120.213 119.914 -0.495 0.000 5.479 128 V HA -0.234 3.886 4.120 -0.000 0.000 0.289 128 V C 0.171 176.044 176.094 -0.368 0.000 0.595 128 V CA 0.225 62.352 62.300 -0.289 0.000 0.649 128 V CB -2.989 28.762 31.823 -0.120 0.000 0.390 128 V HN 0.702 nan 8.190 nan 0.000 0.974 129 Y N 1.991 122.001 120.300 -0.484 0.000 2.526 129 Y HA 0.240 4.790 4.550 -0.000 0.000 0.330 129 Y C -0.720 174.892 175.900 -0.480 0.000 1.156 129 Y CA -1.736 56.050 58.100 -0.523 0.000 1.419 129 Y CB 0.999 39.312 38.460 -0.246 0.000 1.250 129 Y HN 0.293 nan 8.280 nan 0.000 0.540 130 P HA 0.145 nan 4.420 nan 0.000 0.278 130 P C -2.382 174.870 177.300 -0.080 0.000 1.266 130 P CA -1.797 61.180 63.100 -0.204 0.000 0.807 130 P CB 0.809 32.410 31.700 -0.164 0.000 1.094 131 P HA 0.012 nan 4.420 nan 0.000 0.233 131 P C 1.490 178.810 177.300 0.033 0.000 1.167 131 P CA 0.178 63.292 63.100 0.023 0.000 0.770 131 P CB -0.138 31.590 31.700 0.046 0.000 0.837 132 L N 0.444 121.687 121.223 0.034 0.000 2.079 132 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 132 L C 2.004 178.909 176.870 0.059 0.000 1.081 132 L CA 1.963 56.850 54.840 0.080 0.000 0.752 132 L CB -1.388 40.716 42.059 0.076 0.000 0.896 132 L HN -0.061 nan 8.230 nan 0.000 0.433 133 A N -0.804 121.968 122.820 -0.079 0.000 2.206 133 A HA 0.342 4.662 4.320 -0.000 0.000 0.211 133 A C 1.447 179.008 177.584 -0.038 0.000 1.158 133 A CA 0.447 52.393 52.037 -0.152 0.000 0.761 133 A CB -1.315 17.538 19.000 -0.245 0.000 0.801 133 A HN 0.475 nan 8.150 nan 0.000 0.473 134 G N 0.025 108.833 108.800 0.013 0.000 2.651 134 G HA2 0.240 4.200 3.960 -0.000 0.000 0.260 134 G HA3 0.240 4.200 3.960 -0.000 0.000 0.260 134 G C 0.606 175.546 174.900 0.068 0.000 1.216 134 G CA 0.153 45.279 45.100 0.042 0.000 0.913 134 G HN 0.481 nan 8.290 nan 0.000 0.535 135 N N -0.598 118.136 118.700 0.057 0.000 2.573 135 N HA -0.066 4.674 4.740 -0.000 0.000 0.187 135 N C 1.503 177.042 175.510 0.048 0.000 1.107 135 N CA 0.603 53.685 53.050 0.054 0.000 0.918 135 N CB 0.010 38.523 38.487 0.044 0.000 0.966 135 N HN 0.307 nan 8.380 nan 0.000 0.448 136 L N -0.296 120.956 121.223 0.049 0.000 2.262 136 L HA 0.444 4.784 4.340 -0.000 0.000 0.197 136 L C 2.052 178.944 176.870 0.037 0.000 1.073 136 L CA 1.129 55.991 54.840 0.038 0.000 0.800 136 L CB -0.896 41.184 42.059 0.035 0.000 0.987 136 L HN 0.150 nan 8.230 nan 0.000 0.470 137 A N -2.241 120.616 122.820 0.061 0.000 2.169 137 A HA 0.018 4.338 4.320 -0.000 0.000 0.212 137 A C 0.203 177.815 177.584 0.046 0.000 1.153 137 A CA 0.598 52.673 52.037 0.063 0.000 0.756 137 A CB -0.669 18.394 19.000 0.104 0.000 0.813 137 A HN 0.626 nan 8.150 nan 0.000 0.471 138 H N -0.998 118.081 119.070 0.015 0.000 2.695 138 H HA 0.514 5.070 4.556 -0.000 0.000 0.222 138 H C 0.020 175.359 175.328 0.017 0.000 1.412 138 H CA -0.090 55.967 56.048 0.016 0.000 1.347 138 H CB 0.394 30.162 29.762 0.010 0.000 1.858 138 H HN 0.383 nan 8.280 nan 0.000 0.519 139 A N 0.973 123.815 122.820 0.038 0.000 2.407 139 A HA 0.622 4.942 4.320 -0.000 0.000 0.248 139 A C 1.072 178.682 177.584 0.044 0.000 1.082 139 A CA 0.702 52.763 52.037 0.039 0.000 0.785 139 A CB -0.130 18.881 19.000 0.018 0.000 1.020 139 A HN 0.899 nan 8.150 nan 0.000 0.489 140 G N -0.409 108.422 108.800 0.051 0.000 2.660 140 G HA2 0.302 4.262 3.960 -0.000 0.000 0.247 140 G HA3 0.302 4.262 3.960 -0.000 0.000 0.247 140 G C 0.835 175.778 174.900 0.071 0.000 1.328 140 G CA 0.256 45.390 45.100 0.056 0.000 0.884 140 G HN 1.984 nan 8.290 nan 0.000 0.531 141 A N -0.672 122.193 122.820 0.075 0.000 1.969 141 A HA 0.250 4.570 4.320 -0.000 0.000 0.218 141 A C 2.757 180.395 177.584 0.089 0.000 1.169 141 A CA 2.676 54.766 52.037 0.088 0.000 0.635 141 A CB -0.780 18.276 19.000 0.093 0.000 0.810 141 A HN 1.660 nan 8.150 nan 0.000 0.445 142 S N -0.311 115.447 115.700 0.097 0.000 2.378 142 S HA -0.213 4.257 4.470 -0.000 0.000 0.229 142 S C 1.844 176.487 174.600 0.073 0.000 1.052 142 S CA 1.867 60.130 58.200 0.105 0.000 1.084 142 S CB -0.548 62.739 63.200 0.145 0.000 0.950 142 S HN 0.381 nan 8.310 nan 0.000 0.440 143 V N 1.975 121.921 119.914 0.054 0.000 2.591 143 V HA -0.101 4.019 4.120 -0.000 0.000 0.249 143 V C 1.947 177.987 176.094 -0.090 0.000 1.053 143 V CA 1.475 63.763 62.300 -0.021 0.000 1.068 143 V CB -0.592 31.207 31.823 -0.040 0.000 0.689 143 V HN 0.400 nan 8.190 nan 0.000 0.462 144 D N 0.251 120.607 120.400 -0.073 0.000 2.144 144 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 144 D C 2.141 178.332 176.300 -0.181 0.000 0.978 144 D CA 1.104 54.984 54.000 -0.200 0.000 0.833 144 D CB -0.071 40.695 40.800 -0.057 0.000 0.961 144 D HN 0.338 nan 8.370 nan 0.000 0.470 145 L N 0.695 121.947 121.223 0.049 0.000 2.093 145 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 145 L C 2.496 179.388 176.870 0.037 0.000 1.085 145 L CA 1.044 55.975 54.840 0.152 0.000 0.755 145 L CB -0.514 41.633 42.059 0.145 0.000 0.904 145 L HN -0.005 nan 8.230 nan 0.000 0.435 146 T N -0.064 114.455 114.554 -0.059 0.000 2.821 146 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 146 T C 1.902 176.418 174.700 -0.306 0.000 1.046 146 T CA 1.203 63.202 62.100 -0.168 0.000 1.139 146 T CB -0.122 68.679 68.868 -0.111 0.000 0.871 146 T HN 0.188 nan 8.240 nan 0.000 0.454 147 I N 0.192 120.557 120.570 -0.341 0.000 2.202 147 I HA -0.102 4.068 4.170 -0.000 0.000 0.242 147 I C 1.939 177.782 176.117 -0.458 0.000 1.091 147 I CA 1.231 62.241 61.300 -0.482 0.000 1.368 147 I CB -0.329 37.338 38.000 -0.555 0.000 1.058 147 I HN 0.145 nan 8.210 nan 0.000 0.410 148 F N 0.429 120.323 119.950 -0.093 0.000 2.202 148 F HA -0.243 4.284 4.527 -0.000 0.000 0.301 148 F C 2.930 178.710 175.800 -0.032 0.000 1.082 148 F CA 1.491 59.506 58.000 0.025 0.000 1.313 148 F CB -1.263 37.775 39.000 0.062 0.000 1.024 148 F HN 0.028 nan 8.300 nan 0.000 0.495 149 S N 0.121 115.856 115.700 0.059 0.000 2.368 149 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 149 S C 2.157 176.671 174.600 -0.144 0.000 1.030 149 S CA 1.098 59.297 58.200 -0.001 0.000 0.999 149 S CB -0.384 62.790 63.200 -0.042 0.000 0.844 149 S HN 0.353 nan 8.310 nan 0.000 0.459 150 L N 0.074 121.083 121.223 -0.357 0.000 2.093 150 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 150 L C 2.397 179.114 176.870 -0.255 0.000 1.085 150 L CA 1.524 56.066 54.840 -0.498 0.000 0.755 150 L CB -0.682 41.001 42.059 -0.627 0.000 0.904 150 L HN 0.461 nan 8.230 nan 0.000 0.435 151 H N -0.446 118.564 119.070 -0.100 0.000 2.319 151 H HA -0.181 4.375 4.556 -0.000 0.000 0.299 151 H C 2.322 177.652 175.328 0.002 0.000 1.092 151 H CA 1.282 57.318 56.048 -0.020 0.000 1.302 151 H CB 0.167 29.980 29.762 0.085 0.000 1.373 151 H HN 0.199 nan 8.280 nan 0.000 0.497 152 L N -0.225 121.090 121.223 0.153 0.000 2.044 152 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 152 L C 2.851 179.775 176.870 0.090 0.000 1.075 152 L CA 0.909 55.813 54.840 0.107 0.000 0.747 152 L CB -0.728 41.390 42.059 0.098 0.000 0.903 152 L HN 0.341 nan 8.230 nan 0.000 0.435 153 A N 0.518 123.386 122.820 0.081 0.000 1.940 153 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 153 A C 2.367 180.021 177.584 0.116 0.000 1.176 153 A CA 1.829 53.939 52.037 0.122 0.000 0.631 153 A CB -1.101 17.942 19.000 0.071 0.000 0.814 153 A HN 0.460 nan 8.150 nan 0.000 0.446 154 G N -0.675 108.161 108.800 0.059 0.000 2.404 154 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.215 154 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.215 154 G C 1.502 176.457 174.900 0.093 0.000 1.174 154 G CA 1.111 46.255 45.100 0.073 0.000 0.780 154 G HN 0.307 nan 8.290 nan 0.000 0.537 155 V N 1.069 121.034 119.914 0.085 0.000 2.332 155 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 155 V C 3.064 179.211 176.094 0.089 0.000 1.055 155 V CA 2.286 64.630 62.300 0.073 0.000 1.038 155 V CB -0.536 31.319 31.823 0.055 0.000 0.651 155 V HN 0.508 nan 8.190 nan 0.000 0.450 156 S N -0.203 115.557 115.700 0.100 0.000 2.353 156 S HA -0.241 4.229 4.470 -0.000 0.000 0.222 156 S C 2.191 176.886 174.600 0.159 0.000 1.035 156 S CA 2.347 60.620 58.200 0.121 0.000 1.025 156 S CB -0.365 62.903 63.200 0.112 0.000 0.902 156 S HN 0.610 nan 8.310 nan 0.000 0.440 157 S N 0.823 116.622 115.700 0.166 0.000 2.402 157 S HA 0.111 4.581 4.470 -0.000 0.000 0.229 157 S C 1.738 176.433 174.600 0.158 0.000 1.021 157 S CA 1.156 59.459 58.200 0.172 0.000 0.974 157 S CB -0.369 62.935 63.200 0.173 0.000 0.800 157 S HN 0.523 nan 8.310 nan 0.000 0.484 158 I N 1.157 121.808 120.570 0.135 0.000 2.286 158 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 158 I C 1.919 178.109 176.117 0.123 0.000 1.104 158 I CA 0.971 62.343 61.300 0.121 0.000 1.397 158 I CB -0.219 37.838 38.000 0.095 0.000 1.072 158 I HN 0.230 nan 8.210 nan 0.000 0.417 159 L N 0.145 121.437 121.223 0.115 0.000 2.093 159 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 159 L C 2.654 179.617 176.870 0.155 0.000 1.085 159 L CA 1.398 56.305 54.840 0.112 0.000 0.755 159 L CB -1.177 40.936 42.059 0.090 0.000 0.904 159 L HN 0.318 nan 8.230 nan 0.000 0.435 160 G N -0.143 108.770 108.800 0.188 0.000 2.440 160 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 160 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 160 G C 1.763 176.864 174.900 0.334 0.000 1.154 160 G CA 0.860 46.114 45.100 0.255 0.000 0.767 160 G HN 0.469 nan 8.290 nan 0.000 0.552 161 A N 0.601 123.574 122.820 0.255 0.000 1.930 161 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 161 A C 2.385 180.096 177.584 0.212 0.000 1.175 161 A CA 1.087 53.265 52.037 0.236 0.000 0.627 161 A CB -0.277 18.820 19.000 0.162 0.000 0.815 161 A HN 0.385 nan 8.150 nan 0.000 0.443 162 I N -0.201 120.480 120.570 0.184 0.000 2.226 162 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 162 I C 2.426 178.674 176.117 0.217 0.000 1.100 162 I CA 1.215 62.629 61.300 0.190 0.000 1.374 162 I CB -0.482 37.623 38.000 0.176 0.000 1.057 162 I HN 0.334 nan 8.210 nan 0.000 0.413 163 N N 1.187 120.000 118.700 0.188 0.000 2.084 163 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 163 N C 1.903 177.314 175.510 -0.165 0.000 1.030 163 N CA 1.739 54.793 53.050 0.006 0.000 0.849 163 N CB -0.289 38.141 38.487 -0.094 0.000 1.012 163 N HN 0.213 nan 8.380 nan 0.000 0.423 164 F N 1.143 121.075 119.950 -0.030 0.000 2.102 164 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 164 F C 2.370 178.111 175.800 -0.097 0.000 1.105 164 F CA 0.726 58.679 58.000 -0.079 0.000 1.239 164 F CB -0.221 38.738 39.000 -0.068 0.000 0.991 164 F HN 0.012 nan 8.300 nan 0.000 0.474 165 I N -0.665 119.986 120.570 0.134 0.000 2.179 165 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 165 I C 2.262 178.362 176.117 -0.028 0.000 1.088 165 I CA 1.646 62.973 61.300 0.045 0.000 1.357 165 I CB -0.866 37.173 38.000 0.064 0.000 1.051 165 I HN 0.121 nan 8.210 nan 0.000 0.409 166 T N -0.154 114.370 114.554 -0.050 0.000 2.777 166 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 166 T C 1.922 176.492 174.700 -0.217 0.000 1.040 166 T CA 1.903 63.923 62.100 -0.133 0.000 1.141 166 T CB -0.315 68.428 68.868 -0.207 0.000 0.868 166 T HN 0.353 nan 8.240 nan 0.000 0.444 167 T N 2.020 116.421 114.554 -0.255 0.000 2.746 167 T HA 0.036 4.386 4.350 -0.000 0.000 0.267 167 T C 1.944 176.528 174.700 -0.193 0.000 1.039 167 T CA 0.951 62.892 62.100 -0.266 0.000 1.142 167 T CB -0.334 68.351 68.868 -0.306 0.000 0.866 167 T HN 0.319 nan 8.240 nan 0.000 0.444 168 I N 0.343 120.825 120.570 -0.147 0.000 2.500 168 I HA -0.070 4.100 4.170 -0.000 0.000 0.252 168 I C 1.969 177.970 176.117 -0.194 0.000 1.142 168 I CA 0.618 61.818 61.300 -0.167 0.000 1.451 168 I CB -0.148 37.759 38.000 -0.155 0.000 1.093 168 I HN 0.179 nan 8.210 nan 0.000 0.430 169 I N 0.659 121.131 120.570 -0.163 0.000 2.333 169 I HA -0.197 3.973 4.170 -0.000 0.000 0.246 169 I C 2.104 178.140 176.117 -0.135 0.000 1.106 169 I CA 1.567 62.777 61.300 -0.149 0.000 1.411 169 I CB -1.313 36.626 38.000 -0.102 0.000 1.082 169 I HN 0.284 nan 8.210 nan 0.000 0.420 170 N N 0.156 118.774 118.700 -0.137 0.000 2.356 170 N HA 0.057 4.797 4.740 -0.000 0.000 0.178 170 N C 1.169 176.598 175.510 -0.136 0.000 1.075 170 N CA 0.548 53.522 53.050 -0.126 0.000 0.889 170 N CB 0.237 38.646 38.487 -0.130 0.000 0.999 170 N HN 0.175 nan 8.380 nan 0.000 0.464 171 M N -0.070 119.435 119.600 -0.159 0.000 2.589 171 M HA 0.217 4.697 4.480 -0.000 0.000 0.344 171 M C -0.465 175.739 176.300 -0.161 0.000 1.168 171 M CA -0.236 54.967 55.300 -0.162 0.000 0.956 171 M CB 0.790 33.274 32.600 -0.193 0.000 1.370 171 M HN -0.144 nan 8.290 nan 0.000 0.518 172 K N 1.151 121.460 120.400 -0.151 0.000 2.107 172 K HA 0.411 4.731 4.320 -0.000 0.000 0.251 172 K C -2.400 174.125 176.600 -0.125 0.000 1.012 172 K CA -1.666 54.533 56.287 -0.146 0.000 0.920 172 K CB -0.084 32.333 32.500 -0.139 0.000 1.033 172 K HN -0.144 nan 8.250 nan 0.000 0.478 173 P HA -0.034 nan 4.420 nan 0.000 0.266 173 P C -2.138 175.109 177.300 -0.088 0.000 1.193 173 P CA -0.778 62.263 63.100 -0.098 0.000 0.770 173 P CB 0.067 31.715 31.700 -0.088 0.000 0.836 174 P HA -0.165 nan 4.420 nan 0.000 0.218 174 P C 1.013 178.270 177.300 -0.071 0.000 1.148 174 P CA 1.558 64.613 63.100 -0.075 0.000 0.822 174 P CB -0.177 31.479 31.700 -0.073 0.000 0.784 175 A N -1.367 121.405 122.820 -0.079 0.000 2.119 175 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 175 A C 1.310 178.868 177.584 -0.043 0.000 1.152 175 A CA 0.207 52.206 52.037 -0.064 0.000 0.708 175 A CB -0.935 18.016 19.000 -0.081 0.000 0.805 175 A HN 0.169 nan 8.150 nan 0.000 0.460 176 M N 2.229 121.799 119.600 -0.050 0.000 2.143 176 M HA 0.250 4.730 4.480 -0.000 0.000 0.348 176 M C 0.470 176.742 176.300 -0.047 0.000 1.375 176 M CA -0.226 55.051 55.300 -0.038 0.000 1.124 176 M CB 0.551 33.122 32.600 -0.048 0.000 1.669 176 M HN 0.435 nan 8.290 nan 0.000 0.469 177 S N 3.508 119.196 115.700 -0.019 0.000 2.634 177 S HA 0.102 4.572 4.470 -0.000 0.000 0.261 177 S C 0.677 175.210 174.600 -0.111 0.000 1.271 177 S CA -0.421 57.750 58.200 -0.048 0.000 0.985 177 S CB 1.167 64.384 63.200 0.029 0.000 0.968 177 S HN 0.822 nan 8.310 nan 0.000 0.568 178 Q N -0.363 119.273 119.800 -0.273 0.000 2.291 178 Q HA -0.003 4.337 4.340 -0.000 0.000 0.206 178 Q C 0.474 176.407 176.000 -0.111 0.000 0.976 178 Q CA 1.602 57.171 55.803 -0.389 0.000 0.875 178 Q CB -0.570 27.831 28.738 -0.561 0.000 0.927 178 Q HN 0.842 nan 8.270 nan 0.000 0.450 179 Y N -0.834 119.681 120.300 0.360 0.000 2.470 179 Y HA 0.206 4.756 4.550 -0.000 0.000 0.302 179 Y C 0.620 176.705 175.900 0.308 0.000 1.194 179 Y CA 0.175 58.585 58.100 0.516 0.000 1.271 179 Y CB 0.164 38.847 38.460 0.371 0.000 1.092 179 Y HN 0.098 nan 8.280 nan 0.000 0.513 180 Q N -0.431 119.530 119.800 0.268 0.000 2.086 180 Q HA 0.131 4.471 4.340 -0.000 0.000 0.220 180 Q C 0.133 176.213 176.000 0.134 0.000 0.792 180 Q CA -0.189 55.682 55.803 0.112 0.000 1.062 180 Q CB 0.891 29.661 28.738 0.054 0.000 1.198 180 Q HN 0.275 nan 8.270 nan 0.000 0.466 181 T N -2.047 112.651 114.554 0.240 0.000 2.907 181 T HA 0.605 4.955 4.350 -0.000 0.000 0.284 181 T C -2.541 172.417 174.700 0.430 0.000 1.004 181 T CA -2.154 60.050 62.100 0.173 0.000 1.063 181 T CB 1.556 70.361 68.868 -0.104 0.000 0.992 181 T HN -0.216 nan 8.240 nan 0.000 0.483 182 P HA 0.257 nan 4.420 nan 0.000 0.273 182 P C 0.898 178.623 177.300 0.709 0.000 1.250 182 P CA -0.641 62.803 63.100 0.575 0.000 0.793 182 P CB 0.475 32.533 31.700 0.596 0.000 1.011 183 L N -0.427 121.263 121.223 0.778 0.000 2.217 183 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 183 L C 2.186 179.385 176.870 0.548 0.000 1.107 183 L CA 1.125 56.343 54.840 0.630 0.000 0.783 183 L CB -0.702 41.643 42.059 0.477 0.000 0.919 183 L HN 0.311 nan 8.230 nan 0.000 0.442 184 F N 0.713 120.889 119.950 0.378 0.000 2.161 184 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 184 F C 2.205 178.052 175.800 0.079 0.000 1.089 184 F CA 1.356 59.372 58.000 0.027 0.000 1.282 184 F CB -0.252 38.508 39.000 -0.400 0.000 1.010 184 F HN -0.238 nan 8.300 nan 0.000 0.485 185 V N -1.222 118.726 119.914 0.057 0.000 2.427 185 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 185 V C 2.112 178.124 176.094 -0.137 0.000 1.051 185 V CA 1.921 64.153 62.300 -0.113 0.000 1.048 185 V CB -1.061 30.749 31.823 -0.022 0.000 0.666 185 V HN 0.479 nan 8.190 nan 0.000 0.456 186 W N 0.911 122.193 121.300 -0.029 0.000 2.354 186 W HA -0.238 4.422 4.660 -0.000 0.000 0.315 186 W C 3.082 179.556 176.519 -0.076 0.000 1.206 186 W CA 2.111 59.443 57.345 -0.022 0.000 1.290 186 W CB -0.484 28.992 29.460 0.026 0.000 1.152 186 W HN 0.346 nan 8.180 nan 0.000 0.489 187 S N -0.199 115.610 115.700 0.182 0.000 2.383 187 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 187 S C 1.708 176.216 174.600 -0.154 0.000 1.030 187 S CA 1.753 59.980 58.200 0.044 0.000 1.002 187 S CB -1.102 62.138 63.200 0.067 0.000 0.829 187 S HN 0.066 nan 8.310 nan 0.000 0.467 188 V N 1.975 121.649 119.914 -0.400 0.000 2.427 188 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 188 V C 2.620 178.535 176.094 -0.298 0.000 1.051 188 V CA 2.173 64.166 62.300 -0.512 0.000 1.048 188 V CB -0.772 30.568 31.823 -0.806 0.000 0.666 188 V HN 0.654 nan 8.190 nan 0.000 0.456 189 M N -0.549 118.955 119.600 -0.160 0.000 2.200 189 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 189 M C 2.006 178.319 176.300 0.022 0.000 1.066 189 M CA 1.892 57.155 55.300 -0.062 0.000 1.127 189 M CB -0.140 32.410 32.600 -0.082 0.000 1.379 189 M HN 0.235 nan 8.290 nan 0.000 0.420 190 I N -0.305 120.312 120.570 0.079 0.000 2.315 190 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 190 I C 2.057 178.219 176.117 0.074 0.000 1.117 190 I CA 1.310 62.684 61.300 0.122 0.000 1.404 190 I CB -0.667 37.432 38.000 0.165 0.000 1.071 190 I HN 0.299 nan 8.210 nan 0.000 0.419 191 T N 0.858 115.414 114.554 0.004 0.000 2.759 191 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 191 T C 2.041 176.738 174.700 -0.005 0.000 1.042 191 T CA 1.508 63.592 62.100 -0.027 0.000 1.140 191 T CB -0.273 68.527 68.868 -0.114 0.000 0.864 191 T HN 0.484 nan 8.240 nan 0.000 0.455 192 A N 0.822 123.629 122.820 -0.022 0.000 1.930 192 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 192 A C 2.555 180.193 177.584 0.089 0.000 1.175 192 A CA 1.083 53.138 52.037 0.030 0.000 0.627 192 A CB -0.839 18.190 19.000 0.048 0.000 0.815 192 A HN 0.366 nan 8.150 nan 0.000 0.443 193 V N 0.386 120.358 119.914 0.098 0.000 2.407 193 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 193 V C 2.514 178.719 176.094 0.185 0.000 1.055 193 V CA 1.776 64.151 62.300 0.125 0.000 1.049 193 V CB -0.733 31.163 31.823 0.122 0.000 0.662 193 V HN 0.558 nan 8.190 nan 0.000 0.455 194 L N -0.894 120.458 121.223 0.216 0.000 2.056 194 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 194 L C 2.438 179.464 176.870 0.258 0.000 1.078 194 L CA 1.419 56.448 54.840 0.316 0.000 0.749 194 L CB -0.613 41.554 42.059 0.180 0.000 0.901 194 L HN 0.303 nan 8.230 nan 0.000 0.433 195 L N -0.419 120.902 121.223 0.163 0.000 2.012 195 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 195 L C 2.599 179.582 176.870 0.188 0.000 1.073 195 L CA 1.051 55.989 54.840 0.165 0.000 0.748 195 L CB -0.476 41.657 42.059 0.123 0.000 0.891 195 L HN 0.221 nan 8.230 nan 0.000 0.431 196 L N -0.585 120.738 121.223 0.166 0.000 2.046 196 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 196 L C 2.231 179.192 176.870 0.152 0.000 1.077 196 L CA 1.708 56.633 54.840 0.141 0.000 0.747 196 L CB -0.206 41.922 42.059 0.115 0.000 0.896 196 L HN 0.120 nan 8.230 nan 0.000 0.432 197 L N -1.501 119.837 121.223 0.192 0.000 2.162 197 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 197 L C 2.511 179.589 176.870 0.346 0.000 1.086 197 L CA 1.112 56.070 54.840 0.196 0.000 0.778 197 L CB -0.569 41.515 42.059 0.041 0.000 0.928 197 L HN 0.437 nan 8.230 nan 0.000 0.446 198 S N -0.538 115.417 115.700 0.424 0.000 2.441 198 S HA 0.007 4.477 4.470 -0.000 0.000 0.224 198 S C 1.938 176.760 174.600 0.370 0.000 1.043 198 S CA 0.081 58.536 58.200 0.424 0.000 0.948 198 S CB -0.485 62.867 63.200 0.253 0.000 0.810 198 S HN 0.255 nan 8.310 nan 0.000 0.504 199 L N 1.765 123.165 121.223 0.295 0.000 2.127 199 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 199 L C -0.854 176.036 176.870 0.034 0.000 1.089 199 L CA 1.169 56.082 54.840 0.122 0.000 0.757 199 L CB -1.342 40.787 42.059 0.117 0.000 0.899 199 L HN 0.310 nan 8.230 nan 0.000 0.434 200 P HA -0.076 nan 4.420 nan 0.000 0.223 200 P C 1.770 179.081 177.300 0.019 0.000 1.151 200 P CA 0.808 63.934 63.100 0.043 0.000 0.787 200 P CB 0.142 31.875 31.700 0.054 0.000 0.788 201 V N -0.314 119.639 119.914 0.064 0.000 2.453 201 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 201 V C 2.299 178.359 176.094 -0.057 0.000 1.048 201 V CA 1.274 63.590 62.300 0.027 0.000 1.049 201 V CB -1.116 30.802 31.823 0.159 0.000 0.672 201 V HN 0.069 nan 8.190 nan 0.000 0.457 202 L N 1.213 122.359 121.223 -0.128 0.000 2.056 202 L HA -0.000 4.340 4.340 -0.000 0.000 0.207 202 L C 2.457 179.189 176.870 -0.229 0.000 1.078 202 L CA 2.246 56.882 54.840 -0.339 0.000 0.749 202 L CB -0.869 40.689 42.059 -0.836 0.000 0.901 202 L HN 0.178 nan 8.230 nan 0.000 0.433 203 A N -0.069 122.669 122.820 -0.137 0.000 1.917 203 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 203 A C 2.472 180.063 177.584 0.011 0.000 1.182 203 A CA 2.133 54.165 52.037 -0.009 0.000 0.633 203 A CB -1.265 17.766 19.000 0.050 0.000 0.819 203 A HN 0.627 nan 8.150 nan 0.000 0.448 204 A N -0.664 122.131 122.820 -0.041 0.000 1.873 204 A HA 0.179 4.499 4.320 -0.000 0.000 0.215 204 A C 2.455 179.993 177.584 -0.076 0.000 1.186 204 A CA 1.865 53.863 52.037 -0.066 0.000 0.616 204 A CB -1.439 17.506 19.000 -0.093 0.000 0.823 204 A HN 0.751 nan 8.150 nan 0.000 0.442 205 G N 0.913 109.667 108.800 -0.077 0.000 2.446 205 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 205 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 205 G C 1.509 176.477 174.900 0.113 0.000 1.168 205 G CA 1.357 46.442 45.100 -0.025 0.000 0.771 205 G HN 0.873 nan 8.290 nan 0.000 0.551 206 I N -1.703 118.883 120.570 0.026 0.000 2.928 206 I HA 0.062 4.232 4.170 -0.000 0.000 0.266 206 I C 2.242 178.375 176.117 0.027 0.000 1.234 206 I CA 1.384 62.711 61.300 0.045 0.000 1.483 206 I CB -0.490 37.417 38.000 -0.156 0.000 1.097 206 I HN -0.061 nan 8.210 nan 0.000 0.455 207 T N 1.525 116.116 114.554 0.061 0.000 2.812 207 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 207 T C 1.954 176.658 174.700 0.007 0.000 1.042 207 T CA 1.630 63.781 62.100 0.085 0.000 1.140 207 T CB -0.202 68.719 68.868 0.089 0.000 0.870 207 T HN 0.308 nan 8.240 nan 0.000 0.445 208 M N 0.469 120.007 119.600 -0.104 0.000 2.108 208 M HA -0.079 4.401 4.480 -0.000 0.000 0.261 208 M C 2.310 178.631 176.300 0.036 0.000 1.066 208 M CA 1.401 56.513 55.300 -0.313 0.000 1.107 208 M CB -0.544 31.632 32.600 -0.707 0.000 1.356 208 M HN 0.174 nan 8.290 nan 0.000 0.406 209 L N 0.552 121.944 121.223 0.282 0.000 2.046 209 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 209 L C 2.204 179.138 176.870 0.106 0.000 1.077 209 L CA 1.532 56.549 54.840 0.295 0.000 0.747 209 L CB -0.746 41.459 42.059 0.242 0.000 0.896 209 L HN 0.202 nan 8.230 nan 0.000 0.432 210 L N -0.653 120.596 121.223 0.043 0.000 2.012 210 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 210 L C 2.604 179.505 176.870 0.051 0.000 1.073 210 L CA 2.601 57.437 54.840 -0.007 0.000 0.748 210 L CB -0.959 41.076 42.059 -0.040 0.000 0.891 210 L HN 0.631 nan 8.230 nan 0.000 0.431 211 T N -4.605 110.003 114.554 0.090 0.000 2.857 211 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 211 T C 1.650 176.412 174.700 0.104 0.000 1.048 211 T CA 1.147 63.316 62.100 0.116 0.000 1.139 211 T CB -0.629 68.347 68.868 0.181 0.000 0.874 211 T HN 0.292 nan 8.240 nan 0.000 0.455 212 D N 1.594 122.066 120.400 0.121 0.000 2.123 212 D HA -0.029 4.611 4.640 -0.000 0.000 0.196 212 D C 2.481 178.816 176.300 0.059 0.000 0.992 212 D CA 1.040 55.087 54.000 0.077 0.000 0.833 212 D CB -0.210 40.645 40.800 0.091 0.000 0.954 212 D HN 0.484 nan 8.370 nan 0.000 0.455 213 R N -0.130 120.405 120.500 0.060 0.000 2.148 213 R HA 0.096 4.436 4.340 -0.000 0.000 0.223 213 R C 1.146 177.472 176.300 0.043 0.000 1.088 213 R CA 0.822 56.949 56.100 0.044 0.000 0.985 213 R CB 0.057 30.375 30.300 0.029 0.000 0.880 213 R HN 0.211 nan 8.270 nan 0.000 0.451 214 N N -0.852 117.877 118.700 0.049 0.000 2.211 214 N HA 0.125 4.865 4.740 -0.000 0.000 0.216 214 N C 0.760 176.300 175.510 0.049 0.000 1.240 214 N CA 0.217 53.299 53.050 0.053 0.000 0.895 214 N CB 1.137 39.667 38.487 0.071 0.000 1.102 214 N HN 0.103 nan 8.380 nan 0.000 0.498 215 L N 0.730 121.981 121.223 0.047 0.000 2.906 215 L HA 0.282 4.622 4.340 -0.000 0.000 0.255 215 L C -0.232 176.645 176.870 0.013 0.000 1.166 215 L CA 0.002 54.863 54.840 0.036 0.000 0.977 215 L CB 0.089 42.179 42.059 0.051 0.000 1.313 215 L HN -0.045 nan 8.230 nan 0.000 0.549 216 N N 0.798 119.501 118.700 0.006 0.000 2.747 216 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 216 N C 0.486 175.960 175.510 -0.060 0.000 1.107 216 N CA 1.271 54.310 53.050 -0.019 0.000 0.707 216 N CB -1.453 37.024 38.487 -0.018 0.000 1.054 216 N HN 0.533 nan 8.380 nan 0.000 0.555 217 T N -2.418 112.096 114.554 -0.066 0.000 2.816 217 T HA 0.542 4.892 4.350 -0.000 0.000 0.282 217 T C 1.090 175.667 174.700 -0.205 0.000 0.993 217 T CA 0.231 62.216 62.100 -0.192 0.000 0.994 217 T CB 1.631 70.391 68.868 -0.181 0.000 1.025 217 T HN 0.258 nan 8.240 nan 0.000 0.529 218 T N -1.417 112.912 114.554 -0.375 0.000 3.866 218 T HA 0.332 4.682 4.350 -0.000 0.000 0.241 218 T C 0.501 175.006 174.700 -0.325 0.000 1.017 218 T CA -0.674 61.278 62.100 -0.247 0.000 1.300 218 T CB -0.944 67.825 68.868 -0.166 0.000 0.968 218 T HN 0.467 nan 8.240 nan 0.000 0.595 219 F N 0.723 120.462 119.950 -0.352 0.000 2.161 219 F HA 0.112 4.639 4.527 -0.000 0.000 0.300 219 F C 1.185 176.738 175.800 -0.413 0.000 1.089 219 F CA 1.141 58.798 58.000 -0.571 0.000 1.282 219 F CB -0.195 38.151 39.000 -1.089 0.000 1.010 219 F HN 0.387 nan 8.300 nan 0.000 0.485 220 F N -1.705 118.362 119.950 0.195 0.000 2.724 220 F HA 0.237 4.764 4.527 -0.000 0.000 0.310 220 F C -0.119 175.718 175.800 0.061 0.000 1.107 220 F CA -1.011 57.063 58.000 0.123 0.000 1.218 220 F CB -0.229 38.833 39.000 0.103 0.000 1.042 220 F HN -0.289 nan 8.300 nan 0.000 0.540 221 D N 1.667 122.147 120.400 0.133 0.000 2.392 221 D HA 0.293 4.933 4.640 -0.000 0.000 0.228 221 D C -1.987 174.342 176.300 0.048 0.000 1.074 221 D CA -2.509 51.536 54.000 0.076 0.000 0.838 221 D CB 2.146 42.966 40.800 0.033 0.000 1.067 221 D HN -0.118 nan 8.370 nan 0.000 0.511 222 P HA -0.114 nan 4.420 nan 0.000 0.218 222 P C 1.052 178.364 177.300 0.021 0.000 1.148 222 P CA 1.171 64.297 63.100 0.043 0.000 0.822 222 P CB 0.212 31.941 31.700 0.048 0.000 0.784 223 A N -0.211 122.619 122.820 0.016 0.000 1.986 223 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 223 A C 2.212 179.790 177.584 -0.011 0.000 1.171 223 A CA 2.015 54.055 52.037 0.004 0.000 0.640 223 A CB -1.635 17.367 19.000 0.004 0.000 0.811 223 A HN 0.336 nan 8.150 nan 0.000 0.451 224 G N -2.777 106.008 108.800 -0.025 0.000 3.337 224 G HA2 0.419 4.379 3.960 -0.000 0.000 0.246 224 G HA3 0.419 4.379 3.960 -0.000 0.000 0.246 224 G C 0.960 175.829 174.900 -0.051 0.000 1.131 224 G CA 0.460 45.530 45.100 -0.051 0.000 0.773 224 G HN 1.608 nan 8.290 nan 0.000 0.544 225 G N -1.137 107.651 108.800 -0.020 0.000 2.141 225 G HA2 0.015 3.975 3.960 -0.000 0.000 0.231 225 G HA3 0.015 3.975 3.960 -0.000 0.000 0.231 225 G C 0.733 175.639 174.900 0.010 0.000 0.984 225 G CA 0.130 45.226 45.100 -0.006 0.000 0.660 225 G HN 0.955 nan 8.290 nan 0.000 0.525 226 G N -0.915 107.895 108.800 0.016 0.000 2.525 226 G HA2 0.545 4.505 3.960 -0.000 0.000 0.287 226 G HA3 0.545 4.505 3.960 -0.000 0.000 0.287 226 G C -0.789 174.188 174.900 0.129 0.000 1.350 226 G CA 0.484 45.622 45.100 0.063 0.000 1.039 226 G HN 0.542 nan 8.290 nan 0.000 0.513 227 D N -1.480 119.054 120.400 0.224 0.000 2.591 227 D HA 0.312 4.952 4.640 -0.000 0.000 0.222 227 D C -2.079 174.389 176.300 0.280 0.000 1.360 227 D CA -1.460 52.669 54.000 0.215 0.000 0.967 227 D CB 2.050 42.965 40.800 0.192 0.000 1.456 227 D HN -0.049 nan 8.370 nan 0.000 0.588 228 P HA -0.102 nan 4.420 nan 0.000 0.217 228 P C 1.614 178.871 177.300 -0.071 0.000 1.148 228 P CA 0.529 63.655 63.100 0.043 0.000 0.828 228 P CB 0.303 32.003 31.700 0.000 0.000 0.783 229 I N -1.358 119.208 120.570 -0.008 0.000 2.493 229 I HA -0.148 4.022 4.170 -0.000 0.000 0.254 229 I C 2.154 178.264 176.117 -0.012 0.000 1.160 229 I CA 0.957 62.217 61.300 -0.067 0.000 1.445 229 I CB -1.638 36.358 38.000 -0.006 0.000 1.086 229 I HN 0.004 nan 8.210 nan 0.000 0.433 230 L N 0.776 122.100 121.223 0.168 0.000 2.012 230 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 230 L C 2.643 179.571 176.870 0.097 0.000 1.073 230 L CA 1.867 56.878 54.840 0.285 0.000 0.748 230 L CB -1.274 41.042 42.059 0.428 0.000 0.891 230 L HN 0.249 nan 8.230 nan 0.000 0.431 231 Y N 0.360 120.421 120.300 -0.398 0.000 2.139 231 Y HA -0.353 4.197 4.550 -0.000 0.000 0.282 231 Y C 2.566 178.239 175.900 -0.378 0.000 1.179 231 Y CA 2.419 60.042 58.100 -0.795 0.000 1.161 231 Y CB -0.288 37.266 38.460 -1.510 0.000 0.970 231 Y HN 0.433 nan 8.280 nan 0.000 0.511 232 Q N -1.316 118.315 119.800 -0.281 0.000 2.119 232 Q HA -0.222 4.118 4.340 -0.000 0.000 0.201 232 Q C 2.065 178.086 176.000 0.035 0.000 0.972 232 Q CA 1.398 57.071 55.803 -0.217 0.000 0.847 232 Q CB -0.296 28.251 28.738 -0.319 0.000 0.903 232 Q HN 0.636 nan 8.270 nan 0.000 0.433 233 H N 0.451 119.588 119.070 0.113 0.000 2.353 233 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 233 H C 2.197 177.496 175.328 -0.049 0.000 1.090 233 H CA 1.167 57.330 56.048 0.191 0.000 1.327 233 H CB -0.127 29.757 29.762 0.203 0.000 1.383 233 H HN 0.206 nan 8.280 nan 0.000 0.508 234 L N -0.676 120.528 121.223 -0.032 0.000 2.056 234 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 234 L C 2.518 179.274 176.870 -0.190 0.000 1.078 234 L CA 0.872 55.624 54.840 -0.146 0.000 0.749 234 L CB -0.508 41.440 42.059 -0.186 0.000 0.901 234 L HN 0.083 nan 8.230 nan 0.000 0.433 235 F N -0.192 119.432 119.950 -0.544 0.000 2.075 235 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 235 F C 2.043 177.624 175.800 -0.366 0.000 1.113 235 F CA 1.561 59.199 58.000 -0.603 0.000 1.218 235 F CB -0.378 38.051 39.000 -0.952 0.000 0.984 235 F HN -0.033 nan 8.300 nan 0.000 0.472 236 W N -1.066 120.302 121.300 0.113 0.000 2.519 236 W HA -0.129 4.531 4.660 -0.000 0.000 0.266 236 W C 2.237 178.722 176.519 -0.056 0.000 1.253 236 W CA 0.529 57.909 57.345 0.057 0.000 1.274 236 W CB -0.593 29.018 29.460 0.251 0.000 1.114 236 W HN 0.110 nan 8.180 nan 0.000 0.596 237 F N -0.053 119.805 119.950 -0.154 0.000 2.216 237 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 237 F C 2.098 177.817 175.800 -0.134 0.000 1.085 237 F CA 1.673 59.459 58.000 -0.356 0.000 1.326 237 F CB -0.471 38.181 39.000 -0.579 0.000 1.027 237 F HN -0.024 nan 8.300 nan 0.000 0.497 238 F N 0.084 119.876 119.950 -0.263 0.000 2.317 238 F HA 0.256 4.783 4.527 -0.000 0.000 0.293 238 F C 2.170 177.744 175.800 -0.377 0.000 1.085 238 F CA 1.204 59.004 58.000 -0.332 0.000 1.390 238 F CB -1.078 37.707 39.000 -0.358 0.000 1.077 238 F HN -0.122 nan 8.300 nan 0.000 0.517 239 G N -0.442 107.891 108.800 -0.778 0.000 2.418 239 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 239 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 239 G C 1.435 176.192 174.900 -0.237 0.000 1.158 239 G CA 1.273 45.942 45.100 -0.719 0.000 0.771 239 G HN 0.551 nan 8.290 nan 0.000 0.545 240 H N 1.725 120.794 119.070 -0.002 0.000 2.276 240 H HA 0.005 4.561 4.556 -0.000 0.000 0.301 240 H C 0.205 175.478 175.328 -0.091 0.000 1.073 240 H CA 1.687 57.779 56.048 0.074 0.000 1.311 240 H CB -0.620 29.277 29.762 0.225 0.000 1.379 240 H HN 0.250 nan 8.280 nan 0.000 0.494 241 P HA -0.196 nan 4.420 nan 0.000 0.217 241 P C 1.252 178.299 177.300 -0.421 0.000 1.151 241 P CA 2.070 64.912 63.100 -0.430 0.000 0.849 241 P CB -0.017 31.149 31.700 -0.890 0.000 0.787 242 E N 0.043 119.834 120.200 -0.682 0.000 2.114 242 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 242 E C 1.716 178.031 176.600 -0.475 0.000 1.008 242 E CA 1.789 57.797 56.400 -0.653 0.000 0.810 242 E CB -1.251 27.841 29.700 -1.014 0.000 0.739 242 E HN 0.161 nan 8.360 nan 0.000 0.456 243 V N -1.320 118.272 119.914 -0.538 0.000 2.515 243 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 243 V C 1.943 177.677 176.094 -0.600 0.000 1.058 243 V CA 1.769 63.717 62.300 -0.586 0.000 1.064 243 V CB -1.122 30.307 31.823 -0.657 0.000 0.675 243 V HN 0.236 nan 8.190 nan 0.000 0.461 244 Y N 0.628 120.741 120.300 -0.311 0.000 2.263 244 Y HA 0.097 4.647 4.550 -0.000 0.000 0.292 244 Y C 2.413 178.186 175.900 -0.213 0.000 1.130 244 Y CA 1.597 59.578 58.100 -0.198 0.000 1.179 244 Y CB -0.601 37.799 38.460 -0.101 0.000 0.998 244 Y HN 0.168 nan 8.280 nan 0.000 0.532 245 I N -0.258 120.246 120.570 -0.111 0.000 2.194 245 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 245 I C 1.957 177.967 176.117 -0.178 0.000 1.093 245 I CA 1.547 62.767 61.300 -0.133 0.000 1.355 245 I CB -0.459 37.455 38.000 -0.144 0.000 1.046 245 I HN 0.221 nan 8.210 nan 0.000 0.413 246 L N -0.677 120.402 121.223 -0.240 0.000 2.313 246 L HA -0.125 4.215 4.340 -0.000 0.000 0.214 246 L C 2.245 178.988 176.870 -0.212 0.000 1.119 246 L CA 0.677 55.379 54.840 -0.230 0.000 0.809 246 L CB -0.095 41.791 42.059 -0.290 0.000 0.933 246 L HN 0.252 nan 8.230 nan 0.000 0.449 247 I N -1.127 119.273 120.570 -0.284 0.000 3.339 247 I HA -0.044 4.126 4.170 -0.000 0.000 0.285 247 I C 2.010 177.736 176.117 -0.652 0.000 1.201 247 I CA 0.851 61.897 61.300 -0.423 0.000 1.434 247 I CB 0.166 37.860 38.000 -0.511 0.000 1.152 247 I HN -0.002 nan 8.210 nan 0.000 0.443 248 L N 1.298 122.242 121.223 -0.465 0.000 1.990 248 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 248 L C -0.409 176.405 176.870 -0.094 0.000 1.072 248 L CA 1.864 56.530 54.840 -0.290 0.000 0.755 248 L CB -1.965 40.057 42.059 -0.062 0.000 0.889 248 L HN 0.179 nan 8.230 nan 0.000 0.432 249 P HA -0.134 nan 4.420 nan 0.000 0.219 249 P C 1.517 178.899 177.300 0.137 0.000 1.146 249 P CA 1.642 64.771 63.100 0.048 0.000 0.808 249 P CB -0.200 31.521 31.700 0.036 0.000 0.779 250 G N -0.955 107.838 108.800 -0.011 0.000 2.459 250 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 250 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 250 G C 1.454 176.335 174.900 -0.033 0.000 1.183 250 G CA 0.412 45.478 45.100 -0.057 0.000 0.776 250 G HN 0.226 nan 8.290 nan 0.000 0.552 251 F N 1.394 121.332 119.950 -0.020 0.000 2.091 251 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 251 F C 3.068 178.993 175.800 0.208 0.000 1.103 251 F CA 0.391 58.474 58.000 0.139 0.000 1.228 251 F CB -0.360 38.819 39.000 0.298 0.000 0.984 251 F HN 0.278 nan 8.300 nan 0.000 0.477 252 G N 0.365 109.430 108.800 0.442 0.000 2.514 252 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 252 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 252 G C 1.555 176.697 174.900 0.402 0.000 1.198 252 G CA 1.042 46.426 45.100 0.474 0.000 0.780 252 G HN 0.236 nan 8.290 nan 0.000 0.565 253 M N -0.008 119.730 119.600 0.229 0.000 2.159 253 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 253 M C 2.496 178.794 176.300 -0.004 0.000 1.063 253 M CA 0.755 56.082 55.300 0.044 0.000 1.110 253 M CB -0.306 32.213 32.600 -0.135 0.000 1.374 253 M HN 0.125 nan 8.290 nan 0.000 0.411 254 I N 0.081 120.543 120.570 -0.181 0.000 2.127 254 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 254 I C 2.473 178.430 176.117 -0.265 0.000 1.075 254 I CA 1.493 62.518 61.300 -0.458 0.000 1.334 254 I CB -1.421 35.916 38.000 -1.105 0.000 1.040 254 I HN 0.234 nan 8.210 nan 0.000 0.405 255 S N -0.204 115.546 115.700 0.082 0.000 2.368 255 S HA -0.257 4.213 4.470 -0.000 0.000 0.226 255 S C 1.901 176.690 174.600 0.316 0.000 1.044 255 S CA 1.470 59.901 58.200 0.385 0.000 1.062 255 S CB -0.650 62.912 63.200 0.603 0.000 0.931 255 S HN 0.519 nan 8.310 nan 0.000 0.440 256 H N 0.159 119.342 119.070 0.188 0.000 2.387 256 H HA 0.015 4.571 4.556 -0.000 0.000 0.299 256 H C 2.174 177.472 175.328 -0.050 0.000 1.090 256 H CA 1.410 57.556 56.048 0.164 0.000 1.332 256 H CB -0.182 29.780 29.762 0.333 0.000 1.386 256 H HN 0.348 nan 8.280 nan 0.000 0.516 257 I N 0.221 120.760 120.570 -0.051 0.000 2.202 257 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 257 I C 2.510 178.626 176.117 -0.001 0.000 1.091 257 I CA 0.660 61.843 61.300 -0.194 0.000 1.368 257 I CB -0.161 37.714 38.000 -0.210 0.000 1.058 257 I HN 0.009 nan 8.210 nan 0.000 0.410 258 V N 0.511 120.405 119.914 -0.033 0.000 2.295 258 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 258 V C 2.514 178.634 176.094 0.044 0.000 1.049 258 V CA 2.494 64.792 62.300 -0.003 0.000 1.024 258 V CB -0.973 30.815 31.823 -0.058 0.000 0.648 258 V HN 0.469 nan 8.190 nan 0.000 0.447 259 T N -1.073 113.522 114.554 0.067 0.000 2.622 259 T HA -0.260 4.090 4.350 -0.000 0.000 0.266 259 T C 1.708 176.387 174.700 -0.035 0.000 1.047 259 T CA 2.267 64.397 62.100 0.050 0.000 1.159 259 T CB -0.431 68.477 68.868 0.066 0.000 0.863 259 T HN 0.524 nan 8.240 nan 0.000 0.422 260 Y N 0.850 121.023 120.300 -0.211 0.000 2.030 260 Y HA -0.279 4.271 4.550 -0.000 0.000 0.274 260 Y C 1.954 177.563 175.900 -0.486 0.000 1.153 260 Y CA 1.607 59.459 58.100 -0.413 0.000 1.115 260 Y CB -0.507 37.550 38.460 -0.672 0.000 0.969 260 Y HN 0.276 nan 8.280 nan 0.000 0.488 261 Y N -1.056 119.241 120.300 -0.005 0.000 2.632 261 Y HA -0.014 4.536 4.550 -0.000 0.000 0.301 261 Y C 2.213 178.006 175.900 -0.179 0.000 1.172 261 Y CA 0.910 58.949 58.100 -0.101 0.000 1.328 261 Y CB -0.246 38.139 38.460 -0.125 0.000 1.016 261 Y HN 0.024 nan 8.280 nan 0.000 0.529 262 S N -0.893 114.769 115.700 -0.065 0.000 2.575 262 S HA 0.183 4.653 4.470 -0.000 0.000 0.215 262 S C 1.660 176.192 174.600 -0.114 0.000 0.966 262 S CA 0.557 58.710 58.200 -0.078 0.000 0.911 262 S CB -0.258 62.923 63.200 -0.031 0.000 0.780 262 S HN 0.659 nan 8.310 nan 0.000 0.514 263 G N 1.807 110.490 108.800 -0.196 0.000 2.273 263 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.280 263 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.280 263 G C -0.107 174.688 174.900 -0.174 0.000 1.047 263 G CA 0.395 45.356 45.100 -0.232 0.000 0.869 263 G HN 0.365 nan 8.290 nan 0.000 0.502 264 K N -0.388 119.922 120.400 -0.150 0.000 2.156 264 K HA 0.601 4.921 4.320 -0.000 0.000 0.254 264 K C 1.361 177.915 176.600 -0.076 0.000 0.950 264 K CA -0.547 55.696 56.287 -0.073 0.000 0.849 264 K CB 0.962 33.455 32.500 -0.011 0.000 1.100 264 K HN 0.215 nan 8.250 nan 0.000 0.434 265 K N 1.196 121.572 120.400 -0.041 0.000 2.400 265 K HA 0.071 4.391 4.320 -0.000 0.000 0.194 265 K C -0.466 176.136 176.600 0.005 0.000 1.033 265 K CA 0.421 56.690 56.287 -0.029 0.000 1.021 265 K CB 0.145 32.632 32.500 -0.022 0.000 0.808 265 K HN 0.613 nan 8.250 nan 0.000 0.505 266 E N 0.468 120.685 120.200 0.028 0.000 2.388 266 E HA 0.311 4.661 4.350 -0.000 0.000 0.280 266 E C -3.079 173.589 176.600 0.114 0.000 1.019 266 E CA -2.434 54.003 56.400 0.062 0.000 0.806 266 E CB 1.404 31.130 29.700 0.043 0.000 1.246 266 E HN -0.176 nan 8.360 nan 0.000 0.443 267 P HA 0.100 nan 4.420 nan 0.000 0.275 267 P C -0.650 176.802 177.300 0.254 0.000 1.227 267 P CA -0.338 62.908 63.100 0.245 0.000 0.781 267 P CB 0.435 32.309 31.700 0.290 0.000 0.906 268 F N 2.320 122.354 119.950 0.141 0.000 2.572 268 F HA 0.314 4.841 4.527 -0.000 0.000 0.370 268 F C 1.404 177.266 175.800 0.102 0.000 1.103 268 F CA 1.398 59.466 58.000 0.114 0.000 1.286 268 F CB -0.089 38.976 39.000 0.108 0.000 1.105 268 F HN 0.716 nan 8.300 nan 0.000 0.583 269 G N 5.962 114.462 108.800 -0.500 0.000 2.359 269 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.298 269 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.298 269 G C 0.295 175.201 174.900 0.010 0.000 1.030 269 G CA 0.610 45.552 45.100 -0.263 0.000 1.149 269 G HN 1.052 nan 8.290 nan 0.000 0.512 270 Y N 0.628 120.887 120.300 -0.068 0.000 2.081 270 Y HA -0.229 4.321 4.550 -0.000 0.000 0.280 270 Y C 2.649 178.534 175.900 -0.025 0.000 1.163 270 Y CA 2.590 60.693 58.100 0.004 0.000 1.135 270 Y CB -0.072 38.410 38.460 0.037 0.000 0.970 270 Y HN 0.405 nan 8.280 nan 0.000 0.498 271 M N -0.082 119.577 119.600 0.098 0.000 2.296 271 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 271 M C 2.352 178.603 176.300 -0.082 0.000 1.064 271 M CA 1.393 56.668 55.300 -0.042 0.000 1.109 271 M CB -1.861 30.735 32.600 -0.007 0.000 1.396 271 M HN 0.504 nan 8.290 nan 0.000 0.430 272 G N -0.550 108.225 108.800 -0.041 0.000 2.448 272 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 272 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 272 G C 1.520 176.471 174.900 0.085 0.000 1.135 272 G CA 0.273 45.400 45.100 0.044 0.000 0.784 272 G HN 0.261 nan 8.290 nan 0.000 0.543 273 M N 0.536 120.100 119.600 -0.061 0.000 2.200 273 M HA 0.056 4.536 4.480 -0.000 0.000 0.265 273 M C 2.689 178.857 176.300 -0.221 0.000 1.066 273 M CA 0.617 55.841 55.300 -0.128 0.000 1.127 273 M CB -0.865 31.661 32.600 -0.124 0.000 1.379 273 M HN 0.097 nan 8.290 nan 0.000 0.420 274 V N -0.826 118.844 119.914 -0.406 0.000 2.261 274 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 274 V C 2.103 177.990 176.094 -0.346 0.000 1.047 274 V CA 1.956 63.865 62.300 -0.652 0.000 1.015 274 V CB -0.885 30.329 31.823 -1.015 0.000 0.642 274 V HN 0.639 nan 8.190 nan 0.000 0.446 275 W N 1.229 122.337 121.300 -0.321 0.000 2.338 275 W HA -0.233 4.427 4.660 -0.000 0.000 0.304 275 W C 2.412 178.854 176.519 -0.130 0.000 1.212 275 W CA 2.268 59.497 57.345 -0.193 0.000 1.264 275 W CB -0.428 28.944 29.460 -0.146 0.000 1.142 275 W HN 0.194 nan 8.180 nan 0.000 0.512 276 A N 0.520 123.249 122.820 -0.151 0.000 1.908 276 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 276 A C 2.054 179.446 177.584 -0.321 0.000 1.181 276 A CA 2.303 54.119 52.037 -0.370 0.000 0.627 276 A CB -0.896 18.041 19.000 -0.105 0.000 0.818 276 A HN 0.450 nan 8.150 nan 0.000 0.445 277 M N -1.140 118.352 119.600 -0.179 0.000 2.175 277 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 277 M C 2.358 178.612 176.300 -0.076 0.000 1.063 277 M CA 1.328 56.605 55.300 -0.039 0.000 1.119 277 M CB -0.472 32.158 32.600 0.051 0.000 1.377 277 M HN 0.411 nan 8.290 nan 0.000 0.415 278 M N -0.498 119.002 119.600 -0.167 0.000 2.117 278 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 278 M C 2.240 178.461 176.300 -0.132 0.000 1.065 278 M CA 1.476 56.711 55.300 -0.108 0.000 1.114 278 M CB -0.803 31.720 32.600 -0.127 0.000 1.361 278 M HN 0.207 nan 8.290 nan 0.000 0.408 279 S N 0.998 116.479 115.700 -0.364 0.000 2.368 279 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 279 S C 1.875 176.389 174.600 -0.142 0.000 1.029 279 S CA 1.106 59.099 58.200 -0.346 0.000 0.988 279 S CB -0.360 62.331 63.200 -0.849 0.000 0.838 279 S HN 0.357 nan 8.310 nan 0.000 0.462 280 I N 1.580 122.049 120.570 -0.168 0.000 2.315 280 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 280 I C 2.667 178.687 176.117 -0.161 0.000 1.117 280 I CA 1.015 62.229 61.300 -0.144 0.000 1.404 280 I CB -0.729 37.270 38.000 -0.002 0.000 1.071 280 I HN 0.366 nan 8.210 nan 0.000 0.419 281 G N 0.627 109.414 108.800 -0.021 0.000 2.440 281 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 281 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 281 G C 1.588 176.609 174.900 0.202 0.000 1.154 281 G CA 0.788 45.937 45.100 0.082 0.000 0.767 281 G HN 0.387 nan 8.290 nan 0.000 0.552 282 F N 0.904 120.879 119.950 0.043 0.000 2.118 282 F HA 0.224 4.751 4.527 -0.000 0.000 0.293 282 F C 2.436 178.303 175.800 0.112 0.000 1.102 282 F CA 0.709 58.780 58.000 0.119 0.000 1.247 282 F CB -0.286 38.737 39.000 0.039 0.000 1.017 282 F HN 0.010 nan 8.300 nan 0.000 0.475 283 L N 0.532 121.720 121.223 -0.058 0.000 2.081 283 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 283 L C 2.627 179.353 176.870 -0.240 0.000 1.080 283 L CA 1.441 56.168 54.840 -0.189 0.000 0.754 283 L CB -1.527 40.482 42.059 -0.084 0.000 0.893 283 L HN 0.420 nan 8.230 nan 0.000 0.433 284 G N -1.370 107.258 108.800 -0.288 0.000 2.586 284 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 284 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 284 G C 1.203 175.971 174.900 -0.220 0.000 1.128 284 G CA 0.136 45.054 45.100 -0.302 0.000 0.774 284 G HN 0.255 nan 8.290 nan 0.000 0.543 285 F N 0.300 120.155 119.950 -0.158 0.000 2.698 285 F HA 0.280 4.807 4.527 -0.000 0.000 0.295 285 F C 2.061 177.871 175.800 0.015 0.000 1.124 285 F CA -0.020 57.877 58.000 -0.172 0.000 1.426 285 F CB 0.356 39.238 39.000 -0.196 0.000 1.120 285 F HN 0.216 nan 8.300 nan 0.000 0.583 286 I N -1.540 119.115 120.570 0.141 0.000 3.877 286 I HA 0.241 4.411 4.170 -0.000 0.000 0.332 286 I C 0.379 176.666 176.117 0.282 0.000 1.525 286 I CA 0.104 61.576 61.300 0.286 0.000 1.146 286 I CB -0.007 38.048 38.000 0.091 0.000 1.137 286 I HN -0.077 nan 8.210 nan 0.000 0.424 287 V N -3.367 116.685 119.914 0.228 0.000 3.337 287 V HA 0.216 4.336 4.120 -0.000 0.000 0.307 287 V C 1.551 177.451 176.094 -0.324 0.000 1.505 287 V CA -0.330 62.011 62.300 0.068 0.000 1.072 287 V CB -0.972 30.784 31.823 -0.111 0.000 0.929 287 V HN 0.680 nan 8.190 nan 0.000 0.455 288 W N 1.821 123.038 121.300 -0.139 0.000 2.364 288 W HA 0.120 4.780 4.660 -0.000 0.000 0.281 288 W C 1.810 178.016 176.519 -0.521 0.000 1.219 288 W CA 1.530 58.727 57.345 -0.245 0.000 1.220 288 W CB -0.781 28.730 29.460 0.085 0.000 1.127 288 W HN 0.238 nan 8.180 nan 0.000 0.556 289 A N 1.889 123.759 122.820 -1.583 0.000 2.239 289 A HA -0.151 4.169 4.320 -0.000 0.000 0.209 289 A C 1.761 178.559 177.584 -1.310 0.000 1.171 289 A CA 1.123 52.270 52.037 -1.484 0.000 0.768 289 A CB -1.780 15.920 19.000 -2.168 0.000 0.790 289 A HN 0.783 nan 8.150 nan 0.000 0.478 290 H N -2.866 115.523 119.070 -1.136 0.000 2.563 290 H HA 0.011 4.567 4.556 -0.000 0.000 0.272 290 H C 0.679 175.176 175.328 -1.384 0.000 1.005 290 H CA 0.868 55.954 56.048 -1.602 0.000 1.171 290 H CB -0.335 28.917 29.762 -0.850 0.000 1.351 290 H HN 0.667 nan 8.280 nan 0.000 0.602 291 H N 0.388 118.965 119.070 -0.820 0.000 2.526 291 H HA 0.222 4.778 4.556 -0.000 0.000 0.274 291 H C 0.520 175.493 175.328 -0.592 0.000 0.999 291 H CA 0.261 55.824 56.048 -0.807 0.000 1.157 291 H CB 0.521 29.273 29.762 -1.685 0.000 1.407 291 H HN 0.462 nan 8.280 nan 0.000 0.568 292 M N -0.508 118.741 119.600 -0.586 0.000 2.848 292 M HA 0.099 4.579 4.480 -0.000 0.000 0.420 292 M C 0.072 176.202 176.300 -0.284 0.000 1.304 292 M CA -0.165 54.915 55.300 -0.367 0.000 0.844 292 M CB 0.574 33.004 32.600 -0.283 0.000 1.451 292 M HN -0.084 nan 8.290 nan 0.000 0.511 293 F N 0.842 120.609 119.950 -0.304 0.000 2.546 293 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 293 F C 2.448 178.135 175.800 -0.189 0.000 1.120 293 F CA 1.391 59.260 58.000 -0.219 0.000 1.456 293 F CB -0.655 38.230 39.000 -0.193 0.000 1.088 293 F HN 0.271 nan 8.300 nan 0.000 0.572 294 T N -4.089 110.411 114.554 -0.089 0.000 3.044 294 T HA 0.134 4.484 4.350 -0.000 0.000 0.260 294 T C 1.651 176.349 174.700 -0.002 0.000 1.019 294 T CA 0.680 62.756 62.100 -0.040 0.000 0.921 294 T CB -0.650 68.201 68.868 -0.029 0.000 1.053 294 T HN 0.090 nan 8.240 nan 0.000 0.533 295 V N -0.867 119.037 119.914 -0.017 0.000 3.041 295 V HA 0.502 4.622 4.120 -0.000 0.000 0.260 295 V C 1.459 177.572 176.094 0.031 0.000 1.105 295 V CA 0.693 62.998 62.300 0.009 0.000 1.125 295 V CB -1.252 30.557 31.823 -0.024 0.000 0.730 295 V HN 0.886 nan 8.190 nan 0.000 0.479 296 G N 0.191 109.014 108.800 0.040 0.000 2.580 296 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.204 296 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.204 296 G C -0.442 174.498 174.900 0.067 0.000 1.107 296 G CA 0.084 45.215 45.100 0.051 0.000 0.881 296 G HN 0.483 nan 8.290 nan 0.000 0.497 297 M N 0.512 120.160 119.600 0.080 0.000 2.444 297 M HA 0.360 4.840 4.480 -0.000 0.000 0.319 297 M C 0.210 176.567 176.300 0.096 0.000 1.183 297 M CA -0.833 54.530 55.300 0.105 0.000 1.032 297 M CB 0.580 33.261 32.600 0.134 0.000 1.569 297 M HN 0.163 nan 8.290 nan 0.000 0.468 298 D N 1.100 121.558 120.400 0.098 0.000 2.515 298 D HA -0.077 4.563 4.640 -0.000 0.000 0.232 298 D C 0.925 177.274 176.300 0.081 0.000 1.157 298 D CA 0.108 54.156 54.000 0.080 0.000 0.871 298 D CB 0.785 41.632 40.800 0.078 0.000 1.200 298 D HN 0.360 nan 8.370 nan 0.000 0.466 299 V N 2.192 122.137 119.914 0.053 0.000 2.332 299 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 299 V C 1.356 177.479 176.094 0.049 0.000 1.055 299 V CA 1.947 64.268 62.300 0.035 0.000 1.038 299 V CB -0.114 31.717 31.823 0.013 0.000 0.651 299 V HN 0.434 nan 8.190 nan 0.000 0.450 300 D N -0.518 119.916 120.400 0.056 0.000 2.097 300 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 300 D C 2.252 178.617 176.300 0.109 0.000 0.989 300 D CA 1.984 56.021 54.000 0.062 0.000 0.827 300 D CB -0.599 40.228 40.800 0.045 0.000 0.966 300 D HN 0.442 nan 8.370 nan 0.000 0.456 301 T N 0.776 115.416 114.554 0.143 0.000 2.720 301 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 301 T C 1.963 176.888 174.700 0.374 0.000 1.037 301 T CA 1.052 63.303 62.100 0.253 0.000 1.144 301 T CB -0.035 68.998 68.868 0.275 0.000 0.864 301 T HN 0.160 nan 8.240 nan 0.000 0.444 302 R N 0.674 121.328 120.500 0.256 0.000 2.148 302 R HA 0.164 4.504 4.340 -0.000 0.000 0.223 302 R C 2.716 179.067 176.300 0.086 0.000 1.088 302 R CA 0.916 57.152 56.100 0.228 0.000 0.985 302 R CB -0.268 30.061 30.300 0.048 0.000 0.880 302 R HN 0.328 nan 8.270 nan 0.000 0.451 303 A N 0.586 123.442 122.820 0.060 0.000 1.898 303 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 303 A C 1.949 179.543 177.584 0.018 0.000 1.181 303 A CA 1.018 53.060 52.037 0.008 0.000 0.620 303 A CB -0.600 18.408 19.000 0.013 0.000 0.819 303 A HN 0.455 nan 8.150 nan 0.000 0.442 304 Y N -0.638 119.642 120.300 -0.034 0.000 2.114 304 Y HA -0.190 4.360 4.550 -0.000 0.000 0.284 304 Y C 1.873 177.691 175.900 -0.136 0.000 1.143 304 Y CA 1.957 59.969 58.100 -0.148 0.000 1.135 304 Y CB -0.562 37.720 38.460 -0.297 0.000 0.980 304 Y HN 0.221 nan 8.280 nan 0.000 0.499 305 F N 0.222 120.063 119.950 -0.180 0.000 2.293 305 F HA -0.138 4.389 4.527 -0.000 0.000 0.300 305 F C 2.504 178.266 175.800 -0.065 0.000 1.086 305 F CA 1.771 59.621 58.000 -0.249 0.000 1.375 305 F CB -0.936 38.079 39.000 0.025 0.000 1.045 305 F HN 0.031 nan 8.300 nan 0.000 0.516 306 T N -1.035 113.617 114.554 0.165 0.000 2.708 306 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 306 T C 2.268 176.932 174.700 -0.060 0.000 1.037 306 T CA 1.863 63.995 62.100 0.054 0.000 1.146 306 T CB -0.305 68.492 68.868 -0.120 0.000 0.865 306 T HN 0.178 nan 8.240 nan 0.000 0.435 307 S N 1.238 116.847 115.700 -0.152 0.000 2.371 307 S HA 0.080 4.550 4.470 -0.000 0.000 0.224 307 S C 2.550 177.036 174.600 -0.191 0.000 1.029 307 S CA 0.825 58.935 58.200 -0.150 0.000 0.978 307 S CB -0.467 62.653 63.200 -0.132 0.000 0.833 307 S HN 0.556 nan 8.310 nan 0.000 0.466 308 A N 1.521 124.106 122.820 -0.393 0.000 1.933 308 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 308 A C 2.286 179.765 177.584 -0.176 0.000 1.175 308 A CA 1.940 53.762 52.037 -0.359 0.000 0.628 308 A CB -1.322 17.238 19.000 -0.732 0.000 0.814 308 A HN 0.458 nan 8.150 nan 0.000 0.444 309 T N 0.066 114.556 114.554 -0.106 0.000 2.788 309 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 309 T C 1.875 176.562 174.700 -0.023 0.000 1.044 309 T CA 1.713 63.813 62.100 -0.000 0.000 1.139 309 T CB -0.288 68.645 68.868 0.109 0.000 0.867 309 T HN 0.447 nan 8.240 nan 0.000 0.454 310 M N 0.078 119.657 119.600 -0.035 0.000 2.254 310 M HA 0.123 4.603 4.480 -0.000 0.000 0.265 310 M C 2.119 178.421 176.300 0.004 0.000 1.066 310 M CA 1.158 56.447 55.300 -0.019 0.000 1.123 310 M CB -0.415 32.169 32.600 -0.026 0.000 1.388 310 M HN 0.199 nan 8.290 nan 0.000 0.425 311 I N 0.565 121.133 120.570 -0.003 0.000 2.423 311 I HA -0.296 3.874 4.170 -0.000 0.000 0.254 311 I C 2.028 178.167 176.117 0.037 0.000 1.151 311 I CA 1.212 62.526 61.300 0.023 0.000 1.421 311 I CB -0.307 37.705 38.000 0.020 0.000 1.079 311 I HN 0.270 nan 8.210 nan 0.000 0.431 312 I N 0.732 121.315 120.570 0.023 0.000 2.530 312 I HA -0.288 3.882 4.170 -0.000 0.000 0.257 312 I C 2.692 178.857 176.117 0.080 0.000 1.179 312 I CA 1.091 62.411 61.300 0.034 0.000 1.440 312 I CB -0.421 37.601 38.000 0.037 0.000 1.087 312 I HN 0.194 nan 8.210 nan 0.000 0.440 313 A N 1.082 123.950 122.820 0.080 0.000 1.972 313 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 313 A C 2.253 179.899 177.584 0.104 0.000 1.169 313 A CA 1.323 53.415 52.037 0.091 0.000 0.635 313 A CB -0.649 18.392 19.000 0.069 0.000 0.810 313 A HN 0.379 nan 8.150 nan 0.000 0.446 314 I N 0.532 121.170 120.570 0.113 0.000 2.058 314 I HA -0.194 3.976 4.170 -0.000 0.000 0.235 314 I C -0.257 175.975 176.117 0.191 0.000 1.053 314 I CA 1.793 63.192 61.300 0.165 0.000 1.313 314 I CB -1.538 36.577 38.000 0.192 0.000 1.039 314 I HN 0.222 nan 8.210 nan 0.000 0.396 315 P HA -0.168 nan 4.420 nan 0.000 0.216 315 P C 1.540 178.843 177.300 0.006 0.000 1.150 315 P CA 1.929 65.042 63.100 0.023 0.000 0.843 315 P CB -0.376 31.141 31.700 -0.305 0.000 0.787 316 T N -0.813 113.760 114.554 0.031 0.000 2.867 316 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 316 T C 2.161 176.822 174.700 -0.065 0.000 1.057 316 T CA 1.547 63.656 62.100 0.014 0.000 1.136 316 T CB -1.100 67.892 68.868 0.208 0.000 0.874 316 T HN 0.202 nan 8.240 nan 0.000 0.466 317 G N 1.517 110.324 108.800 0.013 0.000 2.433 317 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 317 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 317 G C 1.688 176.590 174.900 0.003 0.000 1.186 317 G CA 0.843 45.930 45.100 -0.021 0.000 0.779 317 G HN 0.414 nan 8.290 nan 0.000 0.543 318 V N 0.977 120.975 119.914 0.139 0.000 2.317 318 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 318 V C 2.829 178.868 176.094 -0.092 0.000 1.065 318 V CA 2.454 64.835 62.300 0.136 0.000 1.049 318 V CB -0.456 31.509 31.823 0.235 0.000 0.651 318 V HN 0.394 nan 8.190 nan 0.000 0.450 319 K N -0.629 119.568 120.400 -0.338 0.000 2.057 319 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 319 K C 2.087 178.024 176.600 -1.105 0.000 1.050 319 K CA 1.382 57.157 56.287 -0.853 0.000 0.935 319 K CB -0.354 31.470 32.500 -1.126 0.000 0.715 319 K HN 0.364 nan 8.250 nan 0.000 0.439 320 V N 0.894 120.413 119.914 -0.658 0.000 2.307 320 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 320 V C 1.953 177.925 176.094 -0.204 0.000 1.045 320 V CA 1.658 63.760 62.300 -0.329 0.000 1.024 320 V CB -0.508 31.116 31.823 -0.332 0.000 0.651 320 V HN 0.199 nan 8.190 nan 0.000 0.449 321 F N 0.371 120.292 119.950 -0.048 0.000 2.171 321 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 321 F C 2.638 178.371 175.800 -0.110 0.000 1.090 321 F CA 1.475 59.444 58.000 -0.051 0.000 1.293 321 F CB -0.451 38.514 39.000 -0.057 0.000 1.013 321 F HN 0.066 nan 8.300 nan 0.000 0.486 322 S N -1.189 114.511 115.700 -0.000 0.000 2.428 322 S HA -0.139 4.331 4.470 -0.000 0.000 0.230 322 S C 1.619 176.286 174.600 0.112 0.000 1.014 322 S CA 0.619 58.831 58.200 0.021 0.000 0.957 322 S CB -0.291 62.950 63.200 0.068 0.000 0.784 322 S HN 0.395 nan 8.310 nan 0.000 0.499 323 W N 1.646 122.995 121.300 0.082 0.000 2.436 323 W HA 0.206 4.866 4.660 -0.000 0.000 0.284 323 W C 1.746 178.303 176.519 0.062 0.000 1.225 323 W CA 0.076 57.468 57.345 0.079 0.000 1.271 323 W CB -0.973 28.531 29.460 0.072 0.000 1.114 323 W HN 0.311 nan 8.180 nan 0.000 0.559 324 L N -0.099 121.287 121.223 0.272 0.000 2.109 324 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 324 L C 2.532 179.447 176.870 0.075 0.000 1.086 324 L CA 1.280 56.224 54.840 0.173 0.000 0.760 324 L CB -1.213 40.955 42.059 0.181 0.000 0.910 324 L HN -0.179 nan 8.230 nan 0.000 0.437 325 A N -0.664 122.120 122.820 -0.060 0.000 2.119 325 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 325 A C 2.273 179.854 177.584 -0.005 0.000 1.153 325 A CA 1.697 53.569 52.037 -0.276 0.000 0.692 325 A CB -0.566 17.802 19.000 -1.054 0.000 0.799 325 A HN 0.334 nan 8.150 nan 0.000 0.458 326 T N 0.173 114.812 114.554 0.142 0.000 2.896 326 T HA 0.033 4.383 4.350 -0.000 0.000 0.263 326 T C 1.728 176.515 174.700 0.146 0.000 1.050 326 T CA 1.065 63.295 62.100 0.218 0.000 1.140 326 T CB -0.258 68.773 68.868 0.273 0.000 0.877 326 T HN 0.384 nan 8.240 nan 0.000 0.457 327 L N 0.208 121.507 121.223 0.126 0.000 2.093 327 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 327 L C 1.273 178.198 176.870 0.091 0.000 1.085 327 L CA 0.476 55.360 54.840 0.074 0.000 0.755 327 L CB -0.673 41.423 42.059 0.062 0.000 0.904 327 L HN 0.302 nan 8.230 nan 0.000 0.435 328 H N 0.958 120.035 119.070 0.012 0.000 3.216 328 H HA 0.148 4.704 4.556 -0.000 0.000 0.283 328 H C 1.119 176.457 175.328 0.018 0.000 0.921 328 H CA 0.327 56.379 56.048 0.006 0.000 1.419 328 H CB -0.014 29.737 29.762 -0.019 0.000 1.460 328 H HN 0.318 nan 8.280 nan 0.000 0.553 329 G N 3.078 111.682 108.800 -0.326 0.000 2.148 329 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.254 329 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.254 329 G C 0.712 175.537 174.900 -0.125 0.000 0.981 329 G CA 0.313 45.234 45.100 -0.299 0.000 0.670 329 G HN 1.026 nan 8.290 nan 0.000 0.528 330 G N -0.512 108.245 108.800 -0.072 0.000 2.572 330 G HA2 0.421 4.381 3.960 -0.000 0.000 0.261 330 G HA3 0.421 4.381 3.960 -0.000 0.000 0.261 330 G C 0.054 174.919 174.900 -0.059 0.000 1.197 330 G CA 0.155 45.221 45.100 -0.056 0.000 0.870 330 G HN 0.553 nan 8.290 nan 0.000 0.548 331 N N 0.659 119.320 118.700 -0.064 0.000 2.645 331 N HA 0.114 4.854 4.740 -0.000 0.000 0.233 331 N C -0.076 175.394 175.510 -0.067 0.000 1.058 331 N CA -0.663 52.355 53.050 -0.053 0.000 0.942 331 N CB 0.164 38.618 38.487 -0.055 0.000 1.210 331 N HN 0.102 nan 8.380 nan 0.000 0.512 332 I N 2.027 122.554 120.570 -0.072 0.000 2.452 332 I HA 0.080 4.250 4.170 -0.000 0.000 0.287 332 I C 0.693 176.713 176.117 -0.161 0.000 1.079 332 I CA -0.313 60.876 61.300 -0.185 0.000 1.387 332 I CB 0.101 37.915 38.000 -0.310 0.000 1.404 332 I HN 0.405 nan 8.210 nan 0.000 0.522 333 K N 6.754 127.075 120.400 -0.131 0.000 2.281 333 K HA 0.209 4.529 4.320 -0.000 0.000 0.272 333 K C -0.825 175.693 176.600 -0.138 0.000 1.048 333 K CA -0.234 56.051 56.287 -0.002 0.000 0.898 333 K CB 0.281 32.884 32.500 0.172 0.000 1.128 333 K HN 0.348 nan 8.250 nan 0.000 0.460 334 W N 4.753 126.016 121.300 -0.061 0.000 1.435 334 W HA 0.101 4.761 4.660 -0.000 0.000 0.471 334 W C 0.218 176.617 176.519 -0.200 0.000 0.590 334 W CA -0.452 56.810 57.345 -0.137 0.000 2.419 334 W CB -0.540 28.853 29.460 -0.112 0.000 1.251 334 W HN 0.527 nan 8.180 nan 0.000 0.338 335 S N -0.270 115.308 115.700 -0.202 0.000 2.614 335 S HA 0.253 4.723 4.470 -0.000 0.000 0.265 335 S C -1.408 173.000 174.600 -0.320 0.000 1.303 335 S CA -1.114 56.910 58.200 -0.293 0.000 1.000 335 S CB 1.324 64.149 63.200 -0.625 0.000 0.935 335 S HN -0.026 nan 8.310 nan 0.000 0.551 336 P HA -0.106 nan 4.420 nan 0.000 0.215 336 P C 1.650 178.850 177.300 -0.167 0.000 1.157 336 P CA 2.053 65.051 63.100 -0.170 0.000 0.874 336 P CB -0.330 31.400 31.700 0.049 0.000 0.790 337 A N -0.925 121.798 122.820 -0.162 0.000 1.940 337 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 337 A C 2.243 179.660 177.584 -0.278 0.000 1.176 337 A CA 2.399 54.371 52.037 -0.110 0.000 0.631 337 A CB -1.454 17.436 19.000 -0.183 0.000 0.814 337 A HN 0.160 nan 8.150 nan 0.000 0.446 338 M N -0.649 118.587 119.600 -0.605 0.000 2.200 338 M HA 0.006 4.486 4.480 -0.000 0.000 0.265 338 M C 2.013 178.102 176.300 -0.352 0.000 1.066 338 M CA 1.709 56.731 55.300 -0.462 0.000 1.127 338 M CB -0.571 31.697 32.600 -0.554 0.000 1.379 338 M HN 0.406 nan 8.290 nan 0.000 0.420 339 M N -1.505 117.804 119.600 -0.484 0.000 2.080 339 M HA -0.238 4.242 4.480 -0.000 0.000 0.260 339 M C 1.906 177.766 176.300 -0.733 0.000 1.068 339 M CA 2.064 56.896 55.300 -0.779 0.000 1.109 339 M CB -0.780 31.006 32.600 -1.358 0.000 1.342 339 M HN 0.406 nan 8.290 nan 0.000 0.405 340 W N 0.093 121.123 121.300 -0.450 0.000 2.374 340 W HA -0.118 4.542 4.660 -0.000 0.000 0.288 340 W C 2.675 179.293 176.519 0.165 0.000 1.218 340 W CA 1.050 58.353 57.345 -0.070 0.000 1.245 340 W CB -0.466 28.960 29.460 -0.057 0.000 1.126 340 W HN 0.234 nan 8.180 nan 0.000 0.545 341 A N -0.180 122.764 122.820 0.206 0.000 1.968 341 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 341 A C 1.910 179.615 177.584 0.202 0.000 1.169 341 A CA 1.042 53.151 52.037 0.121 0.000 0.638 341 A CB -0.788 18.165 19.000 -0.079 0.000 0.812 341 A HN 0.277 nan 8.150 nan 0.000 0.446 342 L N -0.767 120.544 121.223 0.146 0.000 2.044 342 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 342 L C 2.863 179.980 176.870 0.410 0.000 1.075 342 L CA 1.017 55.973 54.840 0.192 0.000 0.747 342 L CB -0.854 41.247 42.059 0.071 0.000 0.903 342 L HN 0.463 nan 8.230 nan 0.000 0.435 343 G N -0.035 109.100 108.800 0.559 0.000 2.476 343 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.218 343 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.218 343 G C 1.496 176.840 174.900 0.740 0.000 1.164 343 G CA 0.885 46.507 45.100 0.870 0.000 0.768 343 G HN 0.288 nan 8.290 nan 0.000 0.560 344 F N 1.468 121.796 119.950 0.630 0.000 2.069 344 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 344 F C 2.531 178.518 175.800 0.312 0.000 1.113 344 F CA 1.495 59.730 58.000 0.392 0.000 1.214 344 F CB -0.340 38.845 39.000 0.308 0.000 0.978 344 F HN 0.120 nan 8.300 nan 0.000 0.474 345 I N -0.831 120.110 120.570 0.617 0.000 2.194 345 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 345 I C 2.334 178.723 176.117 0.454 0.000 1.093 345 I CA 1.649 63.268 61.300 0.531 0.000 1.355 345 I CB -0.603 37.648 38.000 0.419 0.000 1.046 345 I HN 0.243 nan 8.210 nan 0.000 0.413 346 F N 1.321 121.431 119.950 0.266 0.000 2.098 346 F HA -0.091 4.436 4.527 -0.000 0.000 0.294 346 F C 2.169 178.057 175.800 0.146 0.000 1.107 346 F CA 1.513 59.637 58.000 0.206 0.000 1.234 346 F CB -0.478 38.657 39.000 0.226 0.000 1.002 346 F HN -0.155 nan 8.300 nan 0.000 0.472 347 L N -0.969 120.181 121.223 -0.122 0.000 2.093 347 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 347 L C 2.467 179.187 176.870 -0.251 0.000 1.085 347 L CA 1.405 56.070 54.840 -0.293 0.000 0.755 347 L CB -0.941 40.943 42.059 -0.292 0.000 0.904 347 L HN 0.217 nan 8.230 nan 0.000 0.435 348 F N 0.866 120.582 119.950 -0.391 0.000 2.171 348 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 348 F C 2.422 178.113 175.800 -0.183 0.000 1.090 348 F CA 1.945 59.704 58.000 -0.402 0.000 1.293 348 F CB -0.284 38.260 39.000 -0.760 0.000 1.013 348 F HN -0.071 nan 8.300 nan 0.000 0.486 349 T N 0.244 114.684 114.554 -0.191 0.000 2.708 349 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 349 T C 2.129 176.643 174.700 -0.311 0.000 1.037 349 T CA 1.714 63.703 62.100 -0.185 0.000 1.146 349 T CB -0.644 68.226 68.868 0.004 0.000 0.865 349 T HN 0.139 nan 8.240 nan 0.000 0.435 350 V N 1.445 121.120 119.914 -0.399 0.000 2.255 350 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 350 V C 2.893 178.767 176.094 -0.367 0.000 1.051 350 V CA 2.072 64.131 62.300 -0.403 0.000 1.018 350 V CB -1.428 30.086 31.823 -0.515 0.000 0.641 350 V HN 0.597 nan 8.190 nan 0.000 0.445 351 G N -0.136 108.455 108.800 -0.349 0.000 2.422 351 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 351 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 351 G C 1.611 176.370 174.900 -0.235 0.000 1.146 351 G CA 0.938 45.873 45.100 -0.276 0.000 0.769 351 G HN 0.599 nan 8.290 nan 0.000 0.547 352 G N 0.831 109.337 108.800 -0.491 0.000 2.418 352 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 352 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 352 G C 1.805 176.605 174.900 -0.167 0.000 1.158 352 G CA 0.697 45.565 45.100 -0.387 0.000 0.771 352 G HN 0.417 nan 8.290 nan 0.000 0.545 353 L N 1.084 122.202 121.223 -0.175 0.000 2.056 353 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 353 L C 3.359 180.179 176.870 -0.084 0.000 1.078 353 L CA 1.769 56.545 54.840 -0.106 0.000 0.749 353 L CB -0.719 41.279 42.059 -0.101 0.000 0.901 353 L HN 0.426 nan 8.230 nan 0.000 0.433 354 T N -3.552 110.947 114.554 -0.092 0.000 2.962 354 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 354 T C 1.862 176.501 174.700 -0.103 0.000 1.088 354 T CA 0.892 62.973 62.100 -0.033 0.000 1.127 354 T CB -0.715 68.091 68.868 -0.104 0.000 0.883 354 T HN 0.403 nan 8.240 nan 0.000 0.493 355 G N 1.584 110.274 108.800 -0.183 0.000 2.422 355 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.218 355 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.218 355 G C 1.485 176.223 174.900 -0.269 0.000 1.140 355 G CA 0.485 45.285 45.100 -0.500 0.000 0.775 355 G HN 0.477 nan 8.290 nan 0.000 0.545 356 I N 0.914 121.403 120.570 -0.134 0.000 2.315 356 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 356 I C 2.893 178.960 176.117 -0.083 0.000 1.117 356 I CA 0.635 61.881 61.300 -0.090 0.000 1.404 356 I CB -0.832 37.139 38.000 -0.048 0.000 1.071 356 I HN 0.024 nan 8.210 nan 0.000 0.419 357 V N 1.396 121.272 119.914 -0.062 0.000 2.252 357 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 357 V C 2.539 178.581 176.094 -0.087 0.000 1.056 357 V CA 1.762 64.029 62.300 -0.055 0.000 1.022 357 V CB -0.658 31.172 31.823 0.012 0.000 0.641 357 V HN 0.344 nan 8.190 nan 0.000 0.445 358 L N 0.050 121.217 121.223 -0.094 0.000 2.353 358 L HA -0.100 4.240 4.340 -0.000 0.000 0.220 358 L C 2.492 179.326 176.870 -0.060 0.000 1.133 358 L CA 1.024 55.805 54.840 -0.099 0.000 0.798 358 L CB -0.641 41.316 42.059 -0.170 0.000 0.922 358 L HN 0.365 nan 8.230 nan 0.000 0.445 359 A N -0.709 122.057 122.820 -0.090 0.000 2.066 359 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 359 A C 0.922 178.514 177.584 0.013 0.000 1.157 359 A CA 0.525 52.556 52.037 -0.011 0.000 0.670 359 A CB -0.391 18.570 19.000 -0.066 0.000 0.804 359 A HN 0.387 nan 8.150 nan 0.000 0.453 360 N N 1.362 120.010 118.700 -0.088 0.000 2.415 360 N HA 0.081 4.821 4.740 -0.000 0.000 0.250 360 N C 1.116 176.428 175.510 -0.331 0.000 1.127 360 N CA 0.672 53.610 53.050 -0.186 0.000 0.945 360 N CB 1.141 39.542 38.487 -0.142 0.000 1.196 360 N HN 0.500 nan 8.380 nan 0.000 0.499 361 S N 1.311 116.584 115.700 -0.711 0.000 2.402 361 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 361 S C 1.927 176.257 174.600 -0.451 0.000 1.030 361 S CA 0.987 58.549 58.200 -1.063 0.000 1.003 361 S CB -0.094 62.170 63.200 -1.560 0.000 0.813 361 S HN 0.414 nan 8.310 nan 0.000 0.477 362 S N 2.042 117.553 115.700 -0.315 0.000 2.365 362 S HA 0.006 4.476 4.470 -0.000 0.000 0.221 362 S C 1.792 176.304 174.600 -0.146 0.000 1.037 362 S CA 1.579 59.666 58.200 -0.188 0.000 1.060 362 S CB -0.701 62.410 63.200 -0.150 0.000 0.974 362 S HN 0.466 nan 8.310 nan 0.000 0.427 363 L N 0.962 122.098 121.223 -0.146 0.000 2.141 363 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 363 L C 2.170 178.973 176.870 -0.111 0.000 1.094 363 L CA 1.305 56.067 54.840 -0.129 0.000 0.763 363 L CB -0.404 41.566 42.059 -0.148 0.000 0.908 363 L HN 0.324 nan 8.230 nan 0.000 0.437 364 D N -0.130 120.211 120.400 -0.098 0.000 2.218 364 D HA -0.196 4.444 4.640 -0.000 0.000 0.204 364 D C 2.146 178.469 176.300 0.038 0.000 0.976 364 D CA 0.732 54.727 54.000 -0.007 0.000 0.853 364 D CB 0.192 41.063 40.800 0.118 0.000 0.939 364 D HN 0.117 nan 8.370 nan 0.000 0.481 365 I N 0.287 120.852 120.570 -0.009 0.000 2.145 365 I HA -0.248 3.922 4.170 -0.000 0.000 0.244 365 I C 2.292 178.436 176.117 0.045 0.000 1.075 365 I CA 0.948 62.261 61.300 0.023 0.000 1.332 365 I CB -1.184 36.810 38.000 -0.010 0.000 1.033 365 I HN 0.075 nan 8.210 nan 0.000 0.410 366 V N 0.495 120.409 119.914 -0.000 0.000 2.649 366 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 366 V C 2.439 178.527 176.094 -0.009 0.000 1.054 366 V CA 0.953 63.250 62.300 -0.006 0.000 1.073 366 V CB -0.301 31.500 31.823 -0.036 0.000 0.699 366 V HN 0.312 nan 8.190 nan 0.000 0.463 367 L N -0.929 120.273 121.223 -0.035 0.000 2.270 367 L HA 0.071 4.411 4.340 -0.000 0.000 0.210 367 L C 1.407 178.311 176.870 0.056 0.000 1.104 367 L CA 0.236 55.048 54.840 -0.046 0.000 0.804 367 L CB -0.538 41.417 42.059 -0.173 0.000 0.937 367 L HN 0.402 nan 8.230 nan 0.000 0.450 368 H N 1.044 120.117 119.070 0.005 0.000 2.948 368 H HA -0.102 4.454 4.556 -0.000 0.000 0.351 368 H C 0.406 175.752 175.328 0.030 0.000 1.079 368 H CA 0.495 56.560 56.048 0.029 0.000 1.407 368 H CB 0.203 29.993 29.762 0.046 0.000 1.373 368 H HN 0.110 nan 8.280 nan 0.000 0.605 369 D N 1.860 121.862 120.400 -0.662 0.000 2.837 369 D HA -0.203 4.437 4.640 -0.000 0.000 0.230 369 D C -0.334 175.841 176.300 -0.209 0.000 1.152 369 D CA 1.484 55.206 54.000 -0.464 0.000 0.736 369 D CB -0.973 39.555 40.800 -0.452 0.000 1.084 369 D HN 0.763 nan 8.370 nan 0.000 0.429 370 T N -4.462 110.013 114.554 -0.132 0.000 2.888 370 T HA 0.433 4.783 4.350 -0.000 0.000 0.288 370 T C 0.951 175.614 174.700 -0.062 0.000 1.063 370 T CA -0.752 61.310 62.100 -0.063 0.000 1.010 370 T CB 0.875 69.745 68.868 0.004 0.000 1.214 370 T HN -0.065 nan 8.240 nan 0.000 0.533 371 Y N -0.584 119.647 120.300 -0.115 0.000 2.639 371 Y HA 0.030 4.580 4.550 -0.000 0.000 0.297 371 Y C 1.950 177.759 175.900 -0.151 0.000 1.151 371 Y CA 0.713 58.730 58.100 -0.139 0.000 1.335 371 Y CB -0.390 37.966 38.460 -0.174 0.000 0.994 371 Y HN 0.803 nan 8.280 nan 0.000 0.548 372 Y N -0.908 119.338 120.300 -0.090 0.000 2.242 372 Y HA -0.239 4.311 4.550 -0.000 0.000 0.291 372 Y C 2.111 177.911 175.900 -0.167 0.000 1.137 372 Y CA 1.383 59.407 58.100 -0.126 0.000 1.181 372 Y CB -0.201 38.219 38.460 -0.067 0.000 0.989 372 Y HN -0.090 nan 8.280 nan 0.000 0.527 373 V N -1.417 118.492 119.914 -0.008 0.000 2.379 373 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 373 V C 2.245 178.112 176.094 -0.377 0.000 1.044 373 V CA 1.570 63.861 62.300 -0.015 0.000 1.036 373 V CB -0.806 31.076 31.823 0.098 0.000 0.664 373 V HN 0.263 nan 8.190 nan 0.000 0.453 374 V N 0.672 120.213 119.914 -0.622 0.000 2.392 374 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 374 V C 2.700 178.293 176.094 -0.835 0.000 1.059 374 V CA 2.116 63.740 62.300 -1.125 0.000 1.051 374 V CB -1.216 30.112 31.823 -0.826 0.000 0.658 374 V HN 0.558 nan 8.190 nan 0.000 0.455 375 A N -0.087 122.396 122.820 -0.561 0.000 1.897 375 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 375 A C 2.120 179.427 177.584 -0.462 0.000 1.181 375 A CA 2.014 53.718 52.037 -0.554 0.000 0.620 375 A CB -0.815 17.528 19.000 -1.096 0.000 0.821 375 A HN 0.788 nan 8.150 nan 0.000 0.443 376 H N 0.182 118.928 119.070 -0.540 0.000 2.290 376 H HA -0.225 4.331 4.556 -0.000 0.000 0.298 376 H C 1.693 176.893 175.328 -0.213 0.000 1.087 376 H CA 2.446 58.295 56.048 -0.331 0.000 1.291 376 H CB -0.773 28.854 29.762 -0.225 0.000 1.369 376 H HN 0.598 nan 8.280 nan 0.000 0.492 377 F N -1.429 118.215 119.950 -0.510 0.000 2.502 377 F HA 0.074 4.601 4.527 -0.000 0.000 0.298 377 F C 1.637 177.038 175.800 -0.665 0.000 1.111 377 F CA 0.679 58.259 58.000 -0.701 0.000 1.445 377 F CB -0.462 38.252 39.000 -0.476 0.000 1.081 377 F HN 0.183 nan 8.300 nan 0.000 0.558 378 H N -1.645 117.110 119.070 -0.524 0.000 2.497 378 H HA 0.036 4.592 4.556 -0.000 0.000 0.282 378 H C 1.432 176.347 175.328 -0.688 0.000 1.003 378 H CA 1.338 56.914 56.048 -0.787 0.000 1.307 378 H CB -0.227 28.419 29.762 -1.859 0.000 1.437 378 H HN 0.227 nan 8.280 nan 0.000 0.544 379 Y N 0.354 120.355 120.300 -0.499 0.000 2.114 379 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 379 Y C 2.510 178.184 175.900 -0.377 0.000 1.143 379 Y CA 1.652 59.515 58.100 -0.396 0.000 1.135 379 Y CB -0.397 37.861 38.460 -0.336 0.000 0.980 379 Y HN 0.160 nan 8.280 nan 0.000 0.499 380 V N -2.620 117.146 119.914 -0.246 0.000 3.217 380 V HA -0.046 4.074 4.120 -0.000 0.000 0.264 380 V C 1.475 177.492 176.094 -0.128 0.000 1.135 380 V CA 1.166 63.363 62.300 -0.172 0.000 1.142 380 V CB -0.566 31.118 31.823 -0.232 0.000 0.754 380 V HN 0.369 nan 8.190 nan 0.000 0.484 381 L N -0.773 120.321 121.223 -0.214 0.000 2.519 381 L HA 0.228 4.568 4.340 -0.000 0.000 0.194 381 L C 2.589 179.397 176.870 -0.103 0.000 1.072 381 L CA 0.999 55.733 54.840 -0.176 0.000 0.845 381 L CB -0.273 41.625 42.059 -0.269 0.000 1.138 381 L HN 0.135 nan 8.230 nan 0.000 0.487 382 S N -0.469 115.139 115.700 -0.154 0.000 2.453 382 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 382 S C 1.521 176.108 174.600 -0.022 0.000 1.005 382 S CA 1.068 59.249 58.200 -0.031 0.000 0.949 382 S CB 0.064 63.214 63.200 -0.083 0.000 0.774 382 S HN 0.263 nan 8.310 nan 0.000 0.510 383 M N -0.665 118.760 119.600 -0.292 0.000 2.347 383 M HA 0.285 4.765 4.480 -0.000 0.000 0.324 383 M C 1.280 177.244 176.300 -0.559 0.000 1.028 383 M CA -0.105 54.740 55.300 -0.758 0.000 0.988 383 M CB 1.200 33.252 32.600 -0.914 0.000 1.528 383 M HN 0.279 nan 8.290 nan 0.000 0.550 384 G N 0.045 108.752 108.800 -0.155 0.000 2.478 384 G HA2 0.338 4.298 3.960 -0.000 0.000 0.211 384 G HA3 0.338 4.298 3.960 -0.000 0.000 0.211 384 G C 1.277 176.403 174.900 0.377 0.000 1.726 384 G CA 0.607 45.662 45.100 -0.076 0.000 0.725 384 G HN 0.253 nan 8.290 nan 0.000 0.654 385 A N 0.155 123.106 122.820 0.219 0.000 1.892 385 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 385 A C 2.519 180.233 177.584 0.217 0.000 1.188 385 A CA 2.347 54.493 52.037 0.182 0.000 0.631 385 A CB -0.956 18.057 19.000 0.022 0.000 0.822 385 A HN 0.428 nan 8.150 nan 0.000 0.447 386 V N -1.645 118.401 119.914 0.219 0.000 2.515 386 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 386 V C 2.233 178.494 176.094 0.279 0.000 1.058 386 V CA 1.778 64.209 62.300 0.219 0.000 1.064 386 V CB -0.748 31.208 31.823 0.221 0.000 0.675 386 V HN 0.619 nan 8.190 nan 0.000 0.461 387 F N -0.021 120.055 119.950 0.211 0.000 2.259 387 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 387 F C 2.384 178.313 175.800 0.215 0.000 1.088 387 F CA 0.840 59.044 58.000 0.339 0.000 1.358 387 F CB -0.204 39.166 39.000 0.617 0.000 1.040 387 F HN 0.141 nan 8.300 nan 0.000 0.505 388 A N 0.313 123.370 122.820 0.395 0.000 1.930 388 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 388 A C 2.084 179.656 177.584 -0.021 0.000 1.175 388 A CA 1.294 53.361 52.037 0.049 0.000 0.627 388 A CB -0.881 18.075 19.000 -0.073 0.000 0.815 388 A HN 0.388 nan 8.150 nan 0.000 0.443 389 I N -0.782 119.816 120.570 0.047 0.000 2.202 389 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 389 I C 2.580 178.728 176.117 0.051 0.000 1.091 389 I CA 1.107 62.477 61.300 0.117 0.000 1.368 389 I CB -0.272 37.827 38.000 0.164 0.000 1.058 389 I HN 0.234 nan 8.210 nan 0.000 0.410 390 M N 0.423 119.860 119.600 -0.273 0.000 2.080 390 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 390 M C 2.404 178.382 176.300 -0.537 0.000 1.068 390 M CA 2.039 56.931 55.300 -0.679 0.000 1.109 390 M CB -2.159 29.303 32.600 -1.897 0.000 1.342 390 M HN 0.329 nan 8.290 nan 0.000 0.405 391 G N -0.368 108.176 108.800 -0.426 0.000 2.433 391 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 1.609 176.508 174.900 -0.001 0.000 1.186 391 G CA 1.102 46.157 45.100 -0.075 0.000 0.779 391 G HN 0.564 nan 8.290 nan 0.000 0.543 392 G N 0.121 108.905 108.800 -0.027 0.000 2.432 392 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 392 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 392 G C 1.612 176.751 174.900 0.398 0.000 1.135 392 G CA 0.950 46.072 45.100 0.036 0.000 0.767 392 G HN 0.366 nan 8.290 nan 0.000 0.550 393 F N 1.848 122.014 119.950 0.361 0.000 2.084 393 F HA -0.099 4.428 4.527 -0.000 0.000 0.296 393 F C 2.730 178.664 175.800 0.224 0.000 1.111 393 F CA 1.857 60.129 58.000 0.455 0.000 1.224 393 F CB -0.480 38.689 39.000 0.281 0.000 0.991 393 F HN 0.065 nan 8.300 nan 0.000 0.471 394 V N -1.173 118.807 119.914 0.110 0.000 2.427 394 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 394 V C 2.432 178.522 176.094 -0.006 0.000 1.051 394 V CA 2.377 64.674 62.300 -0.004 0.000 1.048 394 V CB -1.434 30.486 31.823 0.162 0.000 0.666 394 V HN 0.534 nan 8.190 nan 0.000 0.456 395 H N -0.706 118.305 119.070 -0.099 0.000 2.321 395 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 395 H C 1.792 176.988 175.328 -0.221 0.000 1.087 395 H CA 2.483 58.400 56.048 -0.218 0.000 1.319 395 H CB -0.237 29.221 29.762 -0.507 0.000 1.379 395 H HN 0.580 nan 8.280 nan 0.000 0.501 396 W N -0.492 120.572 121.300 -0.393 0.000 3.220 396 W HA 0.067 4.727 4.660 -0.000 0.000 0.328 396 W C 1.571 177.355 176.519 -1.225 0.000 1.205 396 W CA -0.370 56.428 57.345 -0.913 0.000 1.773 396 W CB -0.780 28.073 29.460 -1.013 0.000 1.086 396 W HN 0.198 nan 8.180 nan 0.000 0.622 397 F N 2.847 122.332 119.950 -0.775 0.000 2.091 397 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 397 F C -0.723 174.765 175.800 -0.520 0.000 1.103 397 F CA 2.040 59.573 58.000 -0.779 0.000 1.228 397 F CB -1.318 37.216 39.000 -0.777 0.000 0.984 397 F HN -0.248 nan 8.300 nan 0.000 0.477 398 P HA -0.172 nan 4.420 nan 0.000 0.218 398 P C 1.707 178.819 177.300 -0.313 0.000 1.149 398 P CA 1.175 64.102 63.100 -0.289 0.000 0.817 398 P CB -0.088 31.626 31.700 0.024 0.000 0.785 399 L N -1.496 119.435 121.223 -0.487 0.000 2.027 399 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 399 L C 1.958 178.539 176.870 -0.482 0.000 1.074 399 L CA 1.998 56.476 54.840 -0.604 0.000 0.745 399 L CB -1.379 39.986 42.059 -1.158 0.000 0.898 399 L HN -0.154 nan 8.230 nan 0.000 0.433 400 F N -0.353 119.107 119.950 -0.818 0.000 2.186 400 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 400 F C 2.753 178.244 175.800 -0.516 0.000 1.090 400 F CA 1.046 58.454 58.000 -0.986 0.000 1.307 400 F CB -1.642 36.745 39.000 -1.022 0.000 1.019 400 F HN 0.400 nan 8.300 nan 0.000 0.489 401 S N -1.848 113.557 115.700 -0.492 0.000 2.514 401 S HA 0.432 4.902 4.470 -0.000 0.000 0.223 401 S C 1.857 176.127 174.600 -0.551 0.000 1.046 401 S CA 0.470 58.392 58.200 -0.462 0.000 0.914 401 S CB 0.410 63.063 63.200 -0.912 0.000 0.807 401 S HN 0.508 nan 8.310 nan 0.000 0.497 402 G N 0.211 108.709 108.800 -0.503 0.000 2.179 402 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 402 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 402 G C -0.167 174.465 174.900 -0.447 0.000 0.977 402 G CA 0.533 45.370 45.100 -0.437 0.000 0.641 402 G HN 0.540 nan 8.290 nan 0.000 0.533 403 Y N 1.063 121.197 120.300 -0.276 0.000 2.534 403 Y HA 0.681 5.231 4.550 -0.000 0.000 0.329 403 Y C 1.033 176.859 175.900 -0.124 0.000 1.154 403 Y CA -0.531 57.459 58.100 -0.183 0.000 1.192 403 Y CB 1.443 39.781 38.460 -0.203 0.000 1.275 403 Y HN 0.299 nan 8.280 nan 0.000 0.491 404 T N -0.435 114.223 114.554 0.174 0.000 2.925 404 T HA 0.773 5.123 4.350 -0.000 0.000 0.285 404 T C -0.534 174.255 174.700 0.148 0.000 1.021 404 T CA -0.903 61.286 62.100 0.147 0.000 1.042 404 T CB 0.826 69.745 68.868 0.084 0.000 1.037 404 T HN 0.453 nan 8.240 nan 0.000 0.481 405 L N 1.927 123.221 121.223 0.118 0.000 2.416 405 L HA 0.435 4.775 4.340 -0.000 0.000 0.262 405 L C 1.040 177.940 176.870 0.050 0.000 1.093 405 L CA -1.162 53.684 54.840 0.009 0.000 0.801 405 L CB 0.526 42.547 42.059 -0.062 0.000 1.191 405 L HN 0.703 nan 8.230 nan 0.000 0.459 406 N N 1.026 119.773 118.700 0.078 0.000 2.399 406 N HA -0.044 4.696 4.740 -0.000 0.000 0.259 406 N C 0.165 175.773 175.510 0.163 0.000 1.160 406 N CA 0.018 53.159 53.050 0.152 0.000 0.946 406 N CB 0.950 39.622 38.487 0.309 0.000 1.156 406 N HN 0.575 nan 8.380 nan 0.000 0.489 407 D N 2.308 122.769 120.400 0.103 0.000 2.133 407 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 407 D C 1.237 177.595 176.300 0.097 0.000 0.997 407 D CA 1.594 55.646 54.000 0.087 0.000 0.840 407 D CB 0.178 41.008 40.800 0.051 0.000 0.947 407 D HN 0.542 nan 8.370 nan 0.000 0.452 408 T N -0.878 113.715 114.554 0.065 0.000 2.708 408 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 408 T C 1.708 176.460 174.700 0.086 0.000 1.037 408 T CA 1.063 63.169 62.100 0.010 0.000 1.146 408 T CB -0.549 68.261 68.868 -0.097 0.000 0.865 408 T HN 0.344 nan 8.240 nan 0.000 0.435 409 W N 1.249 122.613 121.300 0.106 0.000 2.342 409 W HA -0.083 4.577 4.660 -0.000 0.000 0.297 409 W C 2.786 179.417 176.519 0.187 0.000 1.213 409 W CA 0.632 58.073 57.345 0.160 0.000 1.251 409 W CB -0.254 29.315 29.460 0.182 0.000 1.136 409 W HN 0.226 nan 8.180 nan 0.000 0.526 410 A N 0.086 123.139 122.820 0.389 0.000 1.968 410 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 410 A C 1.819 179.605 177.584 0.336 0.000 1.169 410 A CA 1.475 53.727 52.037 0.357 0.000 0.638 410 A CB -0.488 18.667 19.000 0.259 0.000 0.812 410 A HN 0.285 nan 8.150 nan 0.000 0.446 411 K N -0.361 120.163 120.400 0.207 0.000 2.097 411 K HA 0.028 4.348 4.320 -0.000 0.000 0.205 411 K C 1.686 178.399 176.600 0.188 0.000 1.050 411 K CA 1.275 57.636 56.287 0.124 0.000 0.938 411 K CB -0.297 32.229 32.500 0.042 0.000 0.718 411 K HN 0.510 nan 8.250 nan 0.000 0.442 412 I N 0.727 121.431 120.570 0.223 0.000 2.179 412 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 412 I C 2.742 179.022 176.117 0.271 0.000 1.088 412 I CA 1.260 62.696 61.300 0.226 0.000 1.357 412 I CB -0.453 37.712 38.000 0.275 0.000 1.051 412 I HN 0.336 nan 8.210 nan 0.000 0.409 413 H N 0.984 120.227 119.070 0.288 0.000 2.353 413 H HA -0.269 4.287 4.556 -0.000 0.000 0.300 413 H C 2.249 177.718 175.328 0.236 0.000 1.090 413 H CA 2.152 58.377 56.048 0.295 0.000 1.327 413 H CB -0.227 29.756 29.762 0.367 0.000 1.383 413 H HN 0.361 nan 8.280 nan 0.000 0.508 414 F N 1.499 121.386 119.950 -0.104 0.000 2.102 414 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 414 F C 2.663 178.248 175.800 -0.357 0.000 1.105 414 F CA 1.826 59.455 58.000 -0.618 0.000 1.239 414 F CB -0.721 37.704 39.000 -0.958 0.000 0.991 414 F HN 0.213 nan 8.300 nan 0.000 0.474 415 A N 1.013 123.700 122.820 -0.223 0.000 1.908 415 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 415 A C 2.284 179.770 177.584 -0.164 0.000 1.181 415 A CA 2.089 53.979 52.037 -0.245 0.000 0.627 415 A CB -1.301 17.678 19.000 -0.036 0.000 0.818 415 A HN 0.541 nan 8.150 nan 0.000 0.445 416 I N -1.512 119.008 120.570 -0.084 0.000 2.179 416 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 416 I C 2.653 178.733 176.117 -0.062 0.000 1.088 416 I CA 1.968 63.250 61.300 -0.031 0.000 1.357 416 I CB -0.270 37.749 38.000 0.033 0.000 1.051 416 I HN 0.410 nan 8.210 nan 0.000 0.409 417 M N 0.411 119.925 119.600 -0.143 0.000 2.117 417 M HA -0.222 4.258 4.480 -0.000 0.000 0.262 417 M C 2.071 178.362 176.300 -0.015 0.000 1.065 417 M CA 1.809 57.073 55.300 -0.059 0.000 1.114 417 M CB -0.542 32.057 32.600 -0.002 0.000 1.361 417 M HN 0.169 nan 8.290 nan 0.000 0.408 418 F N -0.384 119.354 119.950 -0.353 0.000 2.069 418 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 418 F C 1.924 177.657 175.800 -0.112 0.000 1.113 418 F CA 2.028 59.866 58.000 -0.270 0.000 1.214 418 F CB -0.588 38.020 39.000 -0.654 0.000 0.978 418 F HN -0.026 nan 8.300 nan 0.000 0.474 419 V N 0.317 120.257 119.914 0.043 0.000 2.295 419 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 419 V C 2.760 178.825 176.094 -0.048 0.000 1.049 419 V CA 1.980 64.284 62.300 0.008 0.000 1.024 419 V CB -1.703 30.148 31.823 0.047 0.000 0.648 419 V HN 0.560 nan 8.190 nan 0.000 0.447 420 G N 0.639 109.424 108.800 -0.026 0.000 2.491 420 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 420 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 420 G C 1.725 176.589 174.900 -0.060 0.000 1.180 420 G CA 1.939 47.025 45.100 -0.024 0.000 0.774 420 G HN 0.617 nan 8.290 nan 0.000 0.562 421 V N -1.190 118.704 119.914 -0.033 0.000 2.548 421 V HA -0.055 4.065 4.120 -0.000 0.000 0.249 421 V C 2.196 178.241 176.094 -0.082 0.000 1.055 421 V CA 1.942 64.250 62.300 0.013 0.000 1.065 421 V CB -0.533 31.360 31.823 0.117 0.000 0.681 421 V HN 0.260 nan 8.190 nan 0.000 0.462 422 N N 0.178 118.758 118.700 -0.199 0.000 2.250 422 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 422 N C 1.814 177.302 175.510 -0.036 0.000 1.017 422 N CA 1.919 54.863 53.050 -0.176 0.000 0.866 422 N CB -0.127 38.160 38.487 -0.333 0.000 0.985 422 N HN 0.562 nan 8.380 nan 0.000 0.429 423 M N 0.741 120.302 119.600 -0.066 0.000 2.229 423 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 423 M C 1.627 177.867 176.300 -0.101 0.000 1.063 423 M CA 1.173 56.458 55.300 -0.024 0.000 1.114 423 M CB -0.034 32.558 32.600 -0.013 0.000 1.387 423 M HN -0.036 nan 8.290 nan 0.000 0.420 424 T N 0.131 114.527 114.554 -0.264 0.000 2.737 424 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 424 T C 1.131 175.445 174.700 -0.642 0.000 1.038 424 T CA 1.618 63.371 62.100 -0.579 0.000 1.144 424 T CB -0.253 67.993 68.868 -1.037 0.000 0.866 424 T HN 0.423 nan 8.240 nan 0.000 0.434 425 F N -0.941 118.957 119.950 -0.087 0.000 2.653 425 F HA 0.322 4.849 4.527 -0.000 0.000 0.288 425 F C 1.758 177.541 175.800 -0.028 0.000 1.121 425 F CA -0.578 57.365 58.000 -0.095 0.000 1.384 425 F CB -0.223 38.701 39.000 -0.127 0.000 1.115 425 F HN 0.001 nan 8.300 nan 0.000 0.599 426 F N 2.993 123.006 119.950 0.104 0.000 2.065 426 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 426 F C -0.882 174.708 175.800 -0.350 0.000 1.112 426 F CA 1.533 59.552 58.000 0.032 0.000 1.212 426 F CB -1.731 37.260 39.000 -0.015 0.000 0.975 426 F HN -0.155 nan 8.300 nan 0.000 0.476 427 P HA -0.149 nan 4.420 nan 0.000 0.225 427 P C 1.172 178.070 177.300 -0.669 0.000 1.148 427 P CA 1.477 64.097 63.100 -0.800 0.000 0.779 427 P CB -0.223 31.381 31.700 -0.159 0.000 0.780 428 Q N -1.654 117.877 119.800 -0.449 0.000 2.364 428 Q HA -0.189 4.151 4.340 -0.000 0.000 0.209 428 Q C 1.676 177.429 176.000 -0.412 0.000 0.977 428 Q CA 1.091 56.712 55.803 -0.303 0.000 0.885 428 Q CB -0.615 28.063 28.738 -0.100 0.000 0.941 428 Q HN 0.528 nan 8.270 nan 0.000 0.464 429 H N -0.705 117.977 119.070 -0.648 0.000 2.321 429 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 429 H C 1.508 176.680 175.328 -0.260 0.000 1.087 429 H CA 1.649 57.336 56.048 -0.602 0.000 1.319 429 H CB -0.020 29.186 29.762 -0.926 0.000 1.379 429 H HN 0.193 nan 8.280 nan 0.000 0.501 430 F N 0.500 120.279 119.950 -0.285 0.000 2.075 430 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 430 F C 2.302 178.088 175.800 -0.024 0.000 1.113 430 F CA 0.913 58.758 58.000 -0.259 0.000 1.218 430 F CB -1.186 37.364 39.000 -0.750 0.000 0.984 430 F HN 0.078 nan 8.300 nan 0.000 0.472 431 L N -0.321 120.990 121.223 0.147 0.000 2.081 431 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 431 L C 2.677 179.582 176.870 0.059 0.000 1.080 431 L CA 1.516 56.409 54.840 0.089 0.000 0.754 431 L CB -1.325 40.638 42.059 -0.159 0.000 0.893 431 L HN 0.297 nan 8.230 nan 0.000 0.433 432 G N -0.398 108.469 108.800 0.111 0.000 2.408 432 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.213 432 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.213 432 G C 1.602 176.598 174.900 0.159 0.000 1.177 432 G CA 0.145 45.343 45.100 0.163 0.000 0.802 432 G HN 0.182 nan 8.290 nan 0.000 0.533 433 L N 1.748 123.092 121.223 0.202 0.000 2.043 433 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 433 L C 3.016 179.954 176.870 0.113 0.000 1.075 433 L CA 1.678 56.578 54.840 0.101 0.000 0.752 433 L CB -0.433 41.696 42.059 0.117 0.000 0.891 433 L HN 0.397 nan 8.230 nan 0.000 0.432 434 S N -0.871 114.942 115.700 0.189 0.000 2.607 434 S HA 0.197 4.667 4.470 -0.000 0.000 0.224 434 S C 1.378 176.153 174.600 0.292 0.000 0.969 434 S CA 0.318 58.662 58.200 0.241 0.000 0.927 434 S CB 0.338 63.744 63.200 0.343 0.000 0.772 434 S HN 0.598 nan 8.310 nan 0.000 0.533 435 G N 1.062 109.964 108.800 0.170 0.000 2.163 435 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.213 435 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.213 435 G C -0.100 174.775 174.900 -0.041 0.000 0.991 435 G CA -0.044 45.123 45.100 0.112 0.000 0.653 435 G HN 0.597 nan 8.290 nan 0.000 0.518 436 M N 1.982 121.399 119.600 -0.304 0.000 2.307 436 M HA 0.408 4.888 4.480 -0.000 0.000 0.346 436 M C -2.065 174.075 176.300 -0.268 0.000 1.552 436 M CA -1.294 53.661 55.300 -0.576 0.000 1.116 436 M CB 0.644 32.720 32.600 -0.874 0.000 1.889 436 M HN 0.014 nan 8.290 nan 0.000 0.460 437 P HA 0.214 nan 4.420 nan 0.000 0.274 437 P C -1.095 176.033 177.300 -0.286 0.000 1.246 437 P CA -0.281 62.551 63.100 -0.446 0.000 0.795 437 P CB 0.534 31.719 31.700 -0.858 0.000 1.006 438 R N 0.893 121.280 120.500 -0.189 0.000 2.679 438 R HA 0.280 4.620 4.340 -0.000 0.000 0.269 438 R C 0.465 176.824 176.300 0.100 0.000 1.076 438 R CA -0.169 55.881 56.100 -0.083 0.000 1.160 438 R CB 0.002 30.230 30.300 -0.120 0.000 1.054 438 R HN 0.431 nan 8.270 nan 0.000 0.507 439 R N -0.129 120.533 120.500 0.271 0.000 3.656 439 R HA -0.222 4.118 4.340 -0.000 0.000 0.297 439 R C -1.140 175.505 176.300 0.575 0.000 1.166 439 R CA 0.695 57.041 56.100 0.411 0.000 0.799 439 R CB -1.912 28.543 30.300 0.260 0.000 1.285 439 R HN 0.578 nan 8.270 nan 0.000 0.477 440 Y N -0.507 119.922 120.300 0.214 0.000 2.330 440 Y HA 0.137 4.687 4.550 -0.000 0.000 0.336 440 Y C 1.689 177.366 175.900 -0.371 0.000 1.036 440 Y CA -0.226 57.882 58.100 0.012 0.000 1.125 440 Y CB 1.605 40.101 38.460 0.059 0.000 1.194 440 Y HN 0.174 nan 8.280 nan 0.000 0.469 441 S N 0.205 115.645 115.700 -0.434 0.000 2.527 441 S HA 0.009 4.479 4.470 -0.000 0.000 0.222 441 S C -0.072 174.324 174.600 -0.340 0.000 0.985 441 S CA 0.441 58.205 58.200 -0.726 0.000 0.921 441 S CB 0.152 63.077 63.200 -0.460 0.000 0.772 441 S HN 0.706 nan 8.310 nan 0.000 0.529 442 D N -0.538 119.745 120.400 -0.195 0.000 2.599 442 D HA 0.511 5.151 4.640 -0.000 0.000 0.252 442 D C -1.693 174.558 176.300 -0.083 0.000 1.232 442 D CA -0.810 53.033 54.000 -0.263 0.000 0.819 442 D CB 1.578 42.203 40.800 -0.291 0.000 1.401 442 D HN 0.233 nan 8.370 nan 0.000 0.429 443 Y N -1.813 118.533 120.300 0.076 0.000 2.581 443 Y HA 0.754 5.304 4.550 -0.000 0.000 0.345 443 Y C -2.599 173.426 175.900 0.208 0.000 1.036 443 Y CA -2.460 55.752 58.100 0.187 0.000 1.042 443 Y CB -0.151 38.383 38.460 0.123 0.000 1.289 443 Y HN 0.057 nan 8.280 nan 0.000 0.471 444 P HA 0.023 nan 4.420 nan 0.000 0.267 444 P C 0.036 177.497 177.300 0.269 0.000 1.201 444 P CA 0.269 63.533 63.100 0.272 0.000 0.775 444 P CB 0.866 32.719 31.700 0.255 0.000 0.854 445 D N 1.520 121.974 120.400 0.090 0.000 2.158 445 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 445 D C 1.902 178.214 176.300 0.020 0.000 0.995 445 D CA 1.929 55.965 54.000 0.060 0.000 0.846 445 D CB -0.723 40.072 40.800 -0.009 0.000 0.941 445 D HN 0.403 nan 8.370 nan 0.000 0.456 446 A N -0.246 122.495 122.820 -0.133 0.000 2.084 446 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 446 A C 1.252 178.675 177.584 -0.268 0.000 1.161 446 A CA 1.090 52.966 52.037 -0.270 0.000 0.653 446 A CB -0.783 17.964 19.000 -0.421 0.000 0.802 446 A HN 0.310 nan 8.150 nan 0.000 0.457 447 Y N -0.653 119.664 120.300 0.027 0.000 2.457 447 Y HA 0.091 4.641 4.550 -0.000 0.000 0.263 447 Y C 2.348 178.110 175.900 -0.230 0.000 1.164 447 Y CA 0.478 58.520 58.100 -0.096 0.000 1.274 447 Y CB -0.745 37.630 38.460 -0.141 0.000 1.097 447 Y HN 0.207 nan 8.280 nan 0.000 0.523 448 T N 0.240 114.838 114.554 0.073 0.000 2.746 448 T HA -0.273 4.077 4.350 -0.000 0.000 0.267 448 T C 2.086 176.721 174.700 -0.109 0.000 1.039 448 T CA 1.664 63.825 62.100 0.102 0.000 1.142 448 T CB -0.186 68.754 68.868 0.120 0.000 0.866 448 T HN 0.426 nan 8.240 nan 0.000 0.444 449 M N -0.348 119.084 119.600 -0.279 0.000 2.065 449 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 449 M C 1.930 178.048 176.300 -0.304 0.000 1.071 449 M CA 1.924 56.966 55.300 -0.431 0.000 1.109 449 M CB -0.289 31.835 32.600 -0.792 0.000 1.313 449 M HN 0.414 nan 8.290 nan 0.000 0.408 450 W N 0.486 121.775 121.300 -0.020 0.000 2.374 450 W HA -0.158 4.502 4.660 -0.000 0.000 0.288 450 W C 2.095 178.529 176.519 -0.141 0.000 1.218 450 W CA 0.141 57.468 57.345 -0.029 0.000 1.245 450 W CB -0.668 28.809 29.460 0.028 0.000 1.126 450 W HN 0.354 nan 8.180 nan 0.000 0.545 451 N N -0.214 118.441 118.700 -0.076 0.000 2.331 451 N HA -0.086 4.654 4.740 -0.000 0.000 0.180 451 N C 1.499 176.967 175.510 -0.069 0.000 1.019 451 N CA 1.697 54.627 53.050 -0.201 0.000 0.881 451 N CB -0.400 37.765 38.487 -0.537 0.000 0.972 451 N HN 0.117 nan 8.380 nan 0.000 0.435 452 T N 1.699 116.232 114.554 -0.035 0.000 2.770 452 T HA 0.074 4.424 4.350 -0.000 0.000 0.263 452 T C 2.147 176.846 174.700 -0.002 0.000 1.039 452 T CA 0.486 62.577 62.100 -0.015 0.000 1.142 452 T CB 0.030 68.880 68.868 -0.031 0.000 0.868 452 T HN 0.135 nan 8.240 nan 0.000 0.435 453 I N 1.126 121.723 120.570 0.046 0.000 2.252 453 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 453 I C 2.808 178.947 176.117 0.037 0.000 1.102 453 I CA 1.073 62.423 61.300 0.083 0.000 1.385 453 I CB -0.357 37.774 38.000 0.218 0.000 1.064 453 I HN 0.262 nan 8.210 nan 0.000 0.414 454 S N 0.121 115.828 115.700 0.013 0.000 2.382 454 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 454 S C 2.189 176.732 174.600 -0.094 0.000 1.027 454 S CA 2.059 60.206 58.200 -0.088 0.000 0.991 454 S CB -0.177 62.944 63.200 -0.131 0.000 0.823 454 S HN 0.395 nan 8.310 nan 0.000 0.469 455 S N 1.241 116.920 115.700 -0.034 0.000 2.383 455 S HA 0.051 4.521 4.470 -0.000 0.000 0.227 455 S C 1.889 176.542 174.600 0.088 0.000 1.026 455 S CA 1.449 59.669 58.200 0.034 0.000 0.981 455 S CB -0.378 62.851 63.200 0.047 0.000 0.818 455 S HN 0.544 nan 8.310 nan 0.000 0.472 456 M N 0.959 120.564 119.600 0.009 0.000 2.159 456 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 456 M C 2.448 178.792 176.300 0.073 0.000 1.063 456 M CA 1.464 56.764 55.300 0.000 0.000 1.110 456 M CB -0.822 31.761 32.600 -0.027 0.000 1.374 456 M HN 0.463 nan 8.290 nan 0.000 0.411 457 G N 0.111 108.921 108.800 0.017 0.000 2.418 457 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 457 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 457 G C 1.627 176.515 174.900 -0.019 0.000 1.158 457 G CA 1.179 46.266 45.100 -0.022 0.000 0.771 457 G HN 0.566 nan 8.290 nan 0.000 0.545 458 S N 0.164 115.849 115.700 -0.024 0.000 2.399 458 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 458 S C 2.093 176.701 174.600 0.012 0.000 1.022 458 S CA 1.013 59.192 58.200 -0.035 0.000 0.983 458 S CB -0.583 62.584 63.200 -0.055 0.000 0.803 458 S HN 0.275 nan 8.310 nan 0.000 0.480 459 F N 1.740 121.665 119.950 -0.041 0.000 2.134 459 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 459 F C 2.311 178.108 175.800 -0.004 0.000 1.097 459 F CA 1.238 59.229 58.000 -0.016 0.000 1.264 459 F CB -0.366 38.627 39.000 -0.012 0.000 1.001 459 F HN 0.173 nan 8.300 nan 0.000 0.479 460 I N -0.939 119.718 120.570 0.144 0.000 2.127 460 I HA -0.365 3.805 4.170 -0.000 0.000 0.241 460 I C 2.496 178.643 176.117 0.050 0.000 1.075 460 I CA 1.405 62.755 61.300 0.083 0.000 1.334 460 I CB -0.804 37.230 38.000 0.056 0.000 1.040 460 I HN 0.011 nan 8.210 nan 0.000 0.405 461 S N 0.771 116.489 115.700 0.030 0.000 2.392 461 S HA -0.220 4.250 4.470 -0.000 0.000 0.232 461 S C 1.892 176.505 174.600 0.021 0.000 1.041 461 S CA 1.643 59.862 58.200 0.032 0.000 1.026 461 S CB -0.454 62.763 63.200 0.028 0.000 0.845 461 S HN 0.332 nan 8.310 nan 0.000 0.465 462 L N 1.653 122.854 121.223 -0.036 0.000 2.017 462 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 462 L C 2.239 179.106 176.870 -0.004 0.000 1.073 462 L CA 2.053 56.851 54.840 -0.071 0.000 0.745 462 L CB -1.521 40.406 42.059 -0.220 0.000 0.894 462 L HN 0.198 nan 8.230 nan 0.000 0.432 463 T N 0.177 114.745 114.554 0.022 0.000 2.720 463 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 463 T C 1.912 176.671 174.700 0.100 0.000 1.037 463 T CA 1.525 63.659 62.100 0.057 0.000 1.144 463 T CB -0.651 68.260 68.868 0.071 0.000 0.864 463 T HN 0.556 nan 8.240 nan 0.000 0.444 464 A N 0.902 123.786 122.820 0.108 0.000 1.902 464 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 464 A C 2.604 180.362 177.584 0.291 0.000 1.181 464 A CA 1.305 53.446 52.037 0.173 0.000 0.623 464 A CB -0.986 18.035 19.000 0.036 0.000 0.818 464 A HN 0.359 nan 8.150 nan 0.000 0.443 465 V N 0.140 120.163 119.914 0.182 0.000 2.343 465 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 465 V C 2.662 178.821 176.094 0.108 0.000 1.051 465 V CA 2.305 64.695 62.300 0.150 0.000 1.036 465 V CB -0.743 31.122 31.823 0.070 0.000 0.654 465 V HN 0.575 nan 8.190 nan 0.000 0.451 466 M N -1.029 118.619 119.600 0.080 0.000 2.132 466 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 466 M C 2.251 178.607 176.300 0.093 0.000 1.065 466 M CA 1.708 57.041 55.300 0.054 0.000 1.122 466 M CB -0.505 32.108 32.600 0.022 0.000 1.365 466 M HN 0.343 nan 8.290 nan 0.000 0.411 467 L N 0.637 121.944 121.223 0.140 0.000 2.093 467 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 467 L C 2.473 179.454 176.870 0.184 0.000 1.085 467 L CA 1.619 56.563 54.840 0.174 0.000 0.755 467 L CB -0.545 41.661 42.059 0.244 0.000 0.904 467 L HN 0.279 nan 8.230 nan 0.000 0.435 468 M N -1.719 117.959 119.600 0.131 0.000 2.108 468 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 468 M C 2.021 178.298 176.300 -0.038 0.000 1.066 468 M CA 2.073 57.311 55.300 -0.104 0.000 1.107 468 M CB -0.122 32.376 32.600 -0.171 0.000 1.356 468 M HN 0.167 nan 8.290 nan 0.000 0.406 469 V N 0.659 120.594 119.914 0.035 0.000 2.295 469 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 469 V C 2.202 178.365 176.094 0.114 0.000 1.049 469 V CA 2.281 64.619 62.300 0.063 0.000 1.024 469 V CB -1.078 30.781 31.823 0.061 0.000 0.648 469 V HN 0.658 nan 8.190 nan 0.000 0.447 470 F N 0.748 120.686 119.950 -0.020 0.000 2.134 470 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 470 F C 2.074 177.876 175.800 0.004 0.000 1.097 470 F CA 1.777 59.773 58.000 -0.005 0.000 1.264 470 F CB -0.313 38.599 39.000 -0.146 0.000 1.001 470 F HN 0.087 nan 8.300 nan 0.000 0.479 471 I N 0.192 120.552 120.570 -0.350 0.000 2.394 471 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 471 I C 2.328 178.235 176.117 -0.350 0.000 1.136 471 I CA 1.212 62.228 61.300 -0.473 0.000 1.425 471 I CB -0.440 37.448 38.000 -0.186 0.000 1.079 471 I HN 0.220 nan 8.210 nan 0.000 0.425 472 I N -0.601 119.862 120.570 -0.178 0.000 2.286 472 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 472 I C 2.434 178.577 176.117 0.042 0.000 1.104 472 I CA 1.161 62.394 61.300 -0.111 0.000 1.397 472 I CB -0.349 37.701 38.000 0.082 0.000 1.072 472 I HN 0.387 nan 8.210 nan 0.000 0.417 473 W N 2.323 123.566 121.300 -0.095 0.000 2.335 473 W HA -0.266 4.394 4.660 -0.000 0.000 0.311 473 W C 2.513 178.941 176.519 -0.152 0.000 1.213 473 W CA 1.885 59.200 57.345 -0.049 0.000 1.274 473 W CB -0.259 29.148 29.460 -0.088 0.000 1.148 473 W HN 0.063 nan 8.180 nan 0.000 0.498 474 E N 0.542 120.390 120.200 -0.587 0.000 2.118 474 E HA -0.248 4.102 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 1.811 57.723 56.400 -0.813 0.000 0.804 474 E CB -0.564 28.687 29.700 -0.749 0.000 0.741 474 E HN 0.338 nan 8.360 nan 0.000 0.458 475 A N 0.144 122.715 122.820 -0.416 0.000 1.877 475 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 475 A C 2.122 179.475 177.584 -0.385 0.000 1.186 475 A CA 1.305 53.155 52.037 -0.311 0.000 0.620 475 A CB -1.031 17.817 19.000 -0.254 0.000 0.822 475 A HN 0.319 nan 8.150 nan 0.000 0.443 476 F N -0.175 119.614 119.950 -0.267 0.000 2.325 476 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 476 F C 2.662 178.162 175.800 -0.501 0.000 1.090 476 F CA 0.672 58.470 58.000 -0.337 0.000 1.392 476 F CB 0.030 38.973 39.000 -0.094 0.000 1.053 476 F HN 0.287 nan 8.300 nan 0.000 0.521 477 A N -1.198 121.310 122.820 -0.520 0.000 1.930 477 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 477 A C 2.260 179.596 177.584 -0.413 0.000 1.176 477 A CA 1.608 53.287 52.037 -0.597 0.000 0.632 477 A CB -0.661 17.579 19.000 -1.267 0.000 0.819 477 A HN 0.239 nan 8.150 nan 0.000 0.445 478 S N -0.990 114.470 115.700 -0.400 0.000 2.406 478 S HA 0.063 4.533 4.470 -0.000 0.000 0.224 478 S C 0.386 174.844 174.600 -0.236 0.000 1.030 478 S CA 0.626 58.673 58.200 -0.255 0.000 0.958 478 S CB -0.105 62.980 63.200 -0.193 0.000 0.811 478 S HN 0.567 nan 8.310 nan 0.000 0.489 479 K N 1.110 121.277 120.400 -0.388 0.000 3.372 479 K HA -0.144 4.176 4.320 -0.000 0.000 0.272 479 K C -0.977 175.578 176.600 -0.074 0.000 1.037 479 K CA 0.236 56.243 56.287 -0.466 0.000 0.777 479 K CB -1.149 31.155 32.500 -0.327 0.000 1.347 479 K HN 0.335 nan 8.250 nan 0.000 0.460 480 R N 1.729 122.224 120.500 -0.009 0.000 2.220 480 R HA 0.121 4.461 4.340 -0.000 0.000 0.340 480 R C -0.072 176.340 176.300 0.187 0.000 1.076 480 R CA -0.232 55.915 56.100 0.079 0.000 0.920 480 R CB 0.526 30.853 30.300 0.045 0.000 1.062 480 R HN 0.247 nan 8.270 nan 0.000 0.469 481 E N 1.866 122.173 120.200 0.178 0.000 2.338 481 E HA 0.091 4.441 4.350 -0.000 0.000 0.272 481 E C -0.163 176.476 176.600 0.064 0.000 1.029 481 E CA -0.421 56.066 56.400 0.144 0.000 0.872 481 E CB 1.450 31.219 29.700 0.114 0.000 1.015 481 E HN 0.196 nan 8.360 nan 0.000 0.417 482 V N 4.609 124.537 119.914 0.024 0.000 2.715 482 V HA -0.020 4.100 4.120 -0.000 0.000 0.299 482 V C 1.011 177.116 176.094 0.018 0.000 1.054 482 V CA 0.518 62.829 62.300 0.018 0.000 1.077 482 V CB 0.815 32.647 31.823 0.014 0.000 0.972 482 V HN 0.692 nan 8.190 nan 0.000 0.484 483 L N 2.504 123.736 121.223 0.015 0.000 2.924 483 L HA 0.284 4.624 4.340 -0.000 0.000 0.172 483 L C 0.735 177.611 176.870 0.010 0.000 1.292 483 L CA 0.504 55.352 54.840 0.014 0.000 0.870 483 L CB 0.334 42.400 42.059 0.011 0.000 1.305 483 L HN 0.611 nan 8.230 nan 0.000 0.535 484 T N 0.250 114.800 114.554 -0.007 0.000 2.912 484 T HA 0.625 4.975 4.350 -0.000 0.000 0.288 484 T C -0.864 173.796 174.700 -0.066 0.000 1.030 484 T CA -0.338 61.749 62.100 -0.021 0.000 1.020 484 T CB 2.771 71.626 68.868 -0.021 0.000 1.056 484 T HN -0.171 nan 8.240 nan 0.000 0.480 485 V N 2.030 121.888 119.914 -0.094 0.000 2.686 485 V HA 0.384 4.504 4.120 -0.000 0.000 0.306 485 V C -0.311 175.692 176.094 -0.153 0.000 1.065 485 V CA -1.005 61.170 62.300 -0.208 0.000 0.894 485 V CB 2.153 33.742 31.823 -0.391 0.000 1.004 485 V HN 0.837 nan 8.190 nan 0.000 0.424 486 D N 2.256 122.569 120.400 -0.145 0.000 2.398 486 D HA 0.437 5.077 4.640 -0.000 0.000 0.247 486 D C 1.072 177.273 176.300 -0.164 0.000 1.227 486 D CA -0.032 53.878 54.000 -0.150 0.000 0.980 486 D CB 1.028 41.716 40.800 -0.187 0.000 1.106 486 D HN 0.573 nan 8.370 nan 0.000 0.493 487 L N -0.181 120.937 121.223 -0.175 0.000 4.179 487 L HA -0.334 4.006 4.340 -0.000 0.000 0.418 487 L C 1.763 178.641 176.870 0.014 0.000 1.168 487 L CA 0.809 55.563 54.840 -0.144 0.000 0.972 487 L CB -2.516 39.328 42.059 -0.359 0.000 2.005 487 L HN 0.568 nan 8.230 nan 0.000 0.935 488 T N -4.540 110.039 114.554 0.042 0.000 2.946 488 T HA -0.206 4.144 4.350 -0.000 0.000 0.271 488 T C 1.668 176.453 174.700 0.143 0.000 1.104 488 T CA 1.681 63.864 62.100 0.139 0.000 1.114 488 T CB -0.504 68.446 68.868 0.137 0.000 0.867 488 T HN 0.629 nan 8.240 nan 0.000 0.513 489 T N -0.078 114.527 114.554 0.084 0.000 3.007 489 T HA -0.026 4.324 4.350 -0.000 0.000 0.270 489 T C 1.601 176.360 174.700 0.098 0.000 1.107 489 T CA 1.206 63.355 62.100 0.082 0.000 1.118 489 T CB -0.709 68.185 68.868 0.043 0.000 0.889 489 T HN 0.643 nan 8.240 nan 0.000 0.506 490 T N -0.927 113.693 114.554 0.109 0.000 3.288 490 T HA 0.342 4.692 4.350 -0.000 0.000 0.293 490 T C 0.084 174.903 174.700 0.198 0.000 1.008 490 T CA -0.799 61.371 62.100 0.118 0.000 0.929 490 T CB -0.056 68.849 68.868 0.061 0.000 1.152 490 T HN 0.258 nan 8.240 nan 0.000 0.517 491 N N 1.429 120.295 118.700 0.277 0.000 2.726 491 N HA 0.190 4.930 4.740 -0.000 0.000 0.253 491 N C 0.430 176.213 175.510 0.455 0.000 1.530 491 N CA -0.282 53.031 53.050 0.437 0.000 0.772 491 N CB 1.717 40.563 38.487 0.599 0.000 1.220 491 N HN 0.037 nan 8.380 nan 0.000 0.508 492 L N 2.147 123.578 121.223 0.348 0.000 2.137 492 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 492 L C 2.434 179.518 176.870 0.357 0.000 1.085 492 L CA 2.041 57.075 54.840 0.325 0.000 0.760 492 L CB -0.157 42.059 42.059 0.261 0.000 0.893 492 L HN 0.426 nan 8.230 nan 0.000 0.434 493 E N -1.717 118.684 120.200 0.335 0.000 2.396 493 E HA -0.281 4.069 4.350 -0.000 0.000 0.200 493 E C 1.588 178.269 176.600 0.134 0.000 1.023 493 E CA 1.574 58.103 56.400 0.215 0.000 0.857 493 E CB -0.887 28.872 29.700 0.098 0.000 0.775 493 E HN 0.722 nan 8.360 nan 0.000 0.525 494 W N -0.107 121.327 121.300 0.223 0.000 3.177 494 W HA 0.245 4.905 4.660 -0.000 0.000 0.309 494 W C 1.540 178.128 176.519 0.116 0.000 1.224 494 W CA -0.619 56.813 57.345 0.145 0.000 1.718 494 W CB 0.175 29.700 29.460 0.107 0.000 1.078 494 W HN 0.035 nan 8.180 nan 0.000 0.618 495 L N 1.036 122.459 121.223 0.333 0.000 2.551 495 L HA 0.026 4.366 4.340 -0.000 0.000 0.228 495 L C 1.066 178.016 176.870 0.134 0.000 1.153 495 L CA 1.468 56.444 54.840 0.228 0.000 0.851 495 L CB -0.649 41.545 42.059 0.226 0.000 0.959 495 L HN 0.017 nan 8.230 nan 0.000 0.451 496 N N 0.008 118.774 118.700 0.109 0.000 2.279 496 N HA 0.218 4.958 4.740 -0.000 0.000 0.226 496 N C 0.751 176.295 175.510 0.057 0.000 1.126 496 N CA 0.724 53.790 53.050 0.026 0.000 0.846 496 N CB 0.565 39.017 38.487 -0.059 0.000 1.050 496 N HN 0.325 nan 8.380 nan 0.000 0.502 497 G N 0.584 109.447 108.800 0.105 0.000 2.782 497 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.228 497 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.228 497 G C -0.724 174.231 174.900 0.093 0.000 1.372 497 G CA -0.606 44.554 45.100 0.099 0.000 0.862 497 G HN 0.329 nan 8.290 nan 0.000 0.547 498 C N 2.303 121.637 119.300 0.057 0.000 2.407 498 C HA 0.667 5.127 4.460 -0.000 0.000 0.328 498 C C -1.548 173.404 174.990 -0.065 0.000 1.137 498 C CA -0.710 58.310 59.018 0.002 0.000 1.390 498 C CB 1.184 28.940 27.740 0.027 0.000 1.989 498 C HN 0.826 nan 8.230 nan 0.000 0.432 499 P HA 0.364 nan 4.420 nan 0.000 0.276 499 P C -2.593 174.748 177.300 0.068 0.000 1.244 499 P CA -1.232 61.881 63.100 0.021 0.000 0.801 499 P CB 0.236 31.981 31.700 0.075 0.000 1.006 500 P HA 0.188 nan 4.420 nan 0.000 0.272 500 P C -2.307 175.027 177.300 0.057 0.000 1.223 500 P CA -1.348 61.805 63.100 0.088 0.000 0.784 500 P CB -1.109 30.668 31.700 0.129 0.000 0.923 501 P HA -0.058 nan 4.420 nan 0.000 0.268 501 P C 0.857 178.150 177.300 -0.011 0.000 1.208 501 P CA 0.029 63.146 63.100 0.028 0.000 0.777 501 P CB 0.387 32.108 31.700 0.034 0.000 0.875 502 Y N 2.020 122.228 120.300 -0.154 0.000 2.030 502 Y HA -0.274 4.276 4.550 -0.000 0.000 0.272 502 Y C 0.962 176.639 175.900 -0.371 0.000 1.185 502 Y CA 1.882 59.789 58.100 -0.320 0.000 1.120 502 Y CB -0.691 37.542 38.460 -0.378 0.000 0.955 502 Y HN 0.434 nan 8.280 nan 0.000 0.495 503 H N -0.214 118.905 119.070 0.082 0.000 2.552 503 H HA 0.385 4.941 4.556 -0.000 0.000 0.311 503 H C -0.154 175.164 175.328 -0.016 0.000 1.071 503 H CA -0.050 56.009 56.048 0.019 0.000 1.307 503 H CB 0.988 30.797 29.762 0.079 0.000 1.416 503 H HN 0.079 nan 8.280 nan 0.000 0.464 504 T N -0.492 114.122 114.554 0.101 0.000 2.916 504 T HA 0.324 4.674 4.350 -0.000 0.000 0.292 504 T C -0.219 174.508 174.700 0.046 0.000 1.055 504 T CA -0.995 61.075 62.100 -0.050 0.000 1.009 504 T CB 0.992 69.794 68.868 -0.109 0.000 1.118 504 T HN 0.545 nan 8.240 nan 0.000 0.497 505 F N -0.102 119.885 119.950 0.062 0.000 3.100 505 F HA -0.220 4.307 4.527 -0.000 0.000 0.283 505 F C 1.397 177.213 175.800 0.027 0.000 0.900 505 F CA 0.636 58.660 58.000 0.040 0.000 1.010 505 F CB -2.406 36.608 39.000 0.024 0.000 1.029 505 F HN 0.816 nan 8.300 nan 0.000 0.637 506 E N 0.355 120.614 120.200 0.099 0.000 2.085 506 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 506 E C 1.105 177.741 176.600 0.059 0.000 0.994 506 E CA 1.492 57.924 56.400 0.054 0.000 0.801 506 E CB -0.008 29.695 29.700 0.006 0.000 0.743 506 E HN 0.656 nan 8.360 nan 0.000 0.453 507 E N 2.099 122.341 120.200 0.070 0.000 2.109 507 E HA 0.137 4.487 4.350 -0.000 0.000 0.278 507 E C -2.341 174.354 176.600 0.159 0.000 0.954 507 E CA -2.607 53.845 56.400 0.085 0.000 0.779 507 E CB 0.897 30.633 29.700 0.061 0.000 1.093 507 E HN -0.163 nan 8.360 nan 0.000 0.401 508 P HA 0.016 nan 4.420 nan 0.000 0.272 508 P C -0.219 177.205 177.300 0.207 0.000 1.240 508 P CA -0.399 62.814 63.100 0.189 0.000 0.791 508 P CB 0.559 32.306 31.700 0.079 0.000 0.978 509 T N -1.176 113.506 114.554 0.214 0.000 2.855 509 T HA 0.058 4.408 4.350 -0.000 0.000 0.314 509 T C -0.359 174.445 174.700 0.174 0.000 1.077 509 T CA -0.114 62.111 62.100 0.208 0.000 1.095 509 T CB -0.055 68.910 68.868 0.162 0.000 0.987 509 T HN 0.382 nan 8.240 nan 0.000 0.546 510 Y N 1.503 121.842 120.300 0.064 0.000 2.335 510 Y HA 0.552 5.102 4.550 -0.000 0.000 0.339 510 Y C -1.204 174.716 175.900 0.033 0.000 0.987 510 Y CA -1.177 56.948 58.100 0.041 0.000 1.140 510 Y CB 0.916 39.400 38.460 0.039 0.000 1.173 510 Y HN 0.598 nan 8.280 nan 0.000 0.486 511 V N 6.392 126.135 119.914 -0.286 0.000 2.482 511 V HA 0.276 4.396 4.120 -0.000 0.000 0.295 511 V C -0.668 175.231 176.094 -0.325 0.000 1.026 511 V CA -1.297 60.901 62.300 -0.171 0.000 0.856 511 V CB 1.595 33.375 31.823 -0.072 0.000 1.001 511 V HN 0.841 nan 8.190 nan 0.000 0.424 512 N N 3.009 121.588 118.700 -0.203 0.000 2.518 512 N HA 0.222 4.962 4.740 -0.000 0.000 0.266 512 N C 0.770 176.233 175.510 -0.078 0.000 1.196 512 N CA -0.482 52.486 53.050 -0.138 0.000 0.947 512 N CB 1.078 39.578 38.487 0.023 0.000 1.098 512 N HN 0.591 nan 8.380 nan 0.000 0.450 513 L N 1.797 122.978 121.223 -0.071 0.000 2.307 513 L HA 0.136 4.476 4.340 -0.000 0.000 0.211 513 L C 0.423 177.285 176.870 -0.013 0.000 1.099 513 L CA 1.248 56.064 54.840 -0.040 0.000 0.816 513 L CB -0.422 41.612 42.059 -0.041 0.000 0.952 513 L HN 0.718 nan 8.230 nan 0.000 0.455 514 K N 0.000 120.398 120.400 -0.003 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.293 56.287 0.010 0.000 0.838 514 K CB 0.000 32.509 32.500 0.014 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543