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 3abm_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.799 175.800 -0.002 0.000 0.967 2 F CA 0.000 58.037 58.000 0.062 0.000 1.383 2 F CB 0.000 39.047 39.000 0.078 0.000 1.145 3 I N 1.089 121.698 120.570 0.065 0.000 2.286 3 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 3 I C 1.647 177.415 176.117 -0.582 0.000 1.104 3 I CA 1.649 62.815 61.300 -0.223 0.000 1.397 3 I CB -0.452 37.370 38.000 -0.297 0.000 1.072 3 I HN 0.241 nan 8.210 nan 0.000 0.417 4 N N 0.739 119.151 118.700 -0.479 0.000 2.094 4 N HA -0.232 4.508 4.740 -0.000 0.000 0.191 4 N C 1.912 177.240 175.510 -0.303 0.000 1.023 4 N CA 1.356 54.183 53.050 -0.371 0.000 0.857 4 N CB -0.242 38.145 38.487 -0.166 0.000 1.013 4 N HN 0.221 nan 8.380 nan 0.000 0.426 5 R N -1.185 119.055 120.500 -0.434 0.000 2.075 5 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 5 R C 1.219 176.989 176.300 -0.884 0.000 1.114 5 R CA 1.225 56.905 56.100 -0.701 0.000 0.972 5 R CB -0.112 29.631 30.300 -0.928 0.000 0.869 5 R HN 0.329 nan 8.270 nan 0.000 0.437 6 W N -1.075 120.022 121.300 -0.338 0.000 2.907 6 W HA 0.164 4.824 4.660 -0.000 0.000 0.271 6 W C 1.135 177.679 176.519 0.041 0.000 1.253 6 W CA -0.540 56.636 57.345 -0.281 0.000 1.501 6 W CB 0.442 29.510 29.460 -0.654 0.000 1.047 6 W HN 0.062 nan 8.180 nan 0.000 0.610 7 L N -1.777 119.505 121.223 0.097 0.000 2.609 7 L HA 0.218 4.558 4.340 -0.000 0.000 0.230 7 L C 0.639 177.737 176.870 0.380 0.000 1.064 7 L CA 0.826 55.757 54.840 0.153 0.000 0.873 7 L CB -0.403 41.552 42.059 -0.173 0.000 1.139 7 L HN -0.170 nan 8.230 nan 0.000 0.490 8 F N -0.978 118.963 119.950 -0.015 0.000 2.772 8 F HA 0.403 4.930 4.527 -0.000 0.000 0.302 8 F C 1.215 176.999 175.800 -0.026 0.000 1.136 8 F CA -1.156 56.828 58.000 -0.026 0.000 1.322 8 F CB -0.892 38.075 39.000 -0.055 0.000 0.967 8 F HN -0.194 nan 8.300 nan 0.000 0.513 9 S N 0.989 116.784 115.700 0.158 0.000 2.573 9 S HA 0.239 4.709 4.470 -0.000 0.000 0.277 9 S C 1.025 175.640 174.600 0.024 0.000 1.346 9 S CA 0.696 58.896 58.200 -0.000 0.000 1.034 9 S CB 0.399 63.535 63.200 -0.108 0.000 0.879 9 S HN 0.491 nan 8.310 nan 0.000 0.528 10 T N 1.000 115.536 114.554 -0.030 0.000 3.604 10 T HA 0.294 4.644 4.350 -0.000 0.000 0.305 10 T C -0.460 174.180 174.700 -0.100 0.000 0.978 10 T CA -0.745 61.339 62.100 -0.026 0.000 0.999 10 T CB -0.565 68.310 68.868 0.011 0.000 1.204 10 T HN 0.544 nan 8.240 nan 0.000 0.476 11 N N 1.384 119.954 118.700 -0.218 0.000 2.372 11 N HA 0.167 4.907 4.740 -0.000 0.000 0.285 11 N C 1.111 176.377 175.510 -0.406 0.000 1.008 11 N CA -0.285 52.516 53.050 -0.414 0.000 0.880 11 N CB 1.539 39.533 38.487 -0.821 0.000 1.239 11 N HN 0.600 nan 8.380 nan 0.000 0.484 12 H N 3.352 122.181 119.070 -0.401 0.000 2.426 12 H HA -0.080 4.476 4.556 -0.000 0.000 0.298 12 H C 0.976 175.950 175.328 -0.589 0.000 1.107 12 H CA 1.606 57.423 56.048 -0.385 0.000 1.298 12 H CB 0.291 29.870 29.762 -0.306 0.000 1.377 12 H HN 0.519 nan 8.280 nan 0.000 0.519 13 K N 0.313 119.853 120.400 -1.434 0.000 2.031 13 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 13 K C 1.760 177.652 176.600 -1.180 0.000 1.049 13 K CA 1.246 56.430 56.287 -1.839 0.000 0.939 13 K CB 0.053 31.344 32.500 -2.015 0.000 0.717 13 K HN 0.250 nan 8.250 nan 0.000 0.438 14 D N 1.310 121.273 120.400 -0.728 0.000 2.123 14 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 14 D C 1.889 178.057 176.300 -0.220 0.000 0.992 14 D CA 1.033 54.825 54.000 -0.347 0.000 0.833 14 D CB -0.222 40.233 40.800 -0.573 0.000 0.954 14 D HN 0.150 nan 8.370 nan 0.000 0.455 15 I N 0.793 121.172 120.570 -0.318 0.000 2.226 15 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 15 I C 2.527 178.592 176.117 -0.087 0.000 1.100 15 I CA 1.335 62.498 61.300 -0.229 0.000 1.374 15 I CB -0.498 37.431 38.000 -0.118 0.000 1.057 15 I HN 0.034 nan 8.210 nan 0.000 0.413 16 G N -0.090 108.629 108.800 -0.134 0.000 2.475 16 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 16 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 16 G C 1.658 176.617 174.900 0.098 0.000 1.125 16 G CA 1.554 46.641 45.100 -0.022 0.000 0.755 16 G HN 0.290 nan 8.290 nan 0.000 0.565 17 T N 0.888 115.468 114.554 0.042 0.000 2.851 17 T HA 0.069 4.419 4.350 -0.000 0.000 0.262 17 T C 2.458 177.178 174.700 0.033 0.000 1.043 17 T CA 0.588 62.797 62.100 0.181 0.000 1.140 17 T CB -0.139 68.886 68.868 0.262 0.000 0.872 17 T HN 0.157 nan 8.240 nan 0.000 0.446 18 L N -0.242 120.883 121.223 -0.164 0.000 2.012 18 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 18 L C 2.357 179.054 176.870 -0.288 0.000 1.073 18 L CA 1.622 56.161 54.840 -0.501 0.000 0.748 18 L CB -0.691 40.618 42.059 -1.250 0.000 0.891 18 L HN 0.263 nan 8.230 nan 0.000 0.431 19 Y N -0.153 120.040 120.300 -0.178 0.000 2.241 19 Y HA -0.269 4.281 4.550 -0.000 0.000 0.286 19 Y C 2.392 178.448 175.900 0.259 0.000 1.166 19 Y CA 1.361 59.590 58.100 0.214 0.000 1.203 19 Y CB -0.319 38.237 38.460 0.160 0.000 0.977 19 Y HN 0.112 nan 8.280 nan 0.000 0.529 20 L N -1.434 119.975 121.223 0.311 0.000 2.162 20 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 20 L C 2.117 179.146 176.870 0.266 0.000 1.086 20 L CA 0.639 55.626 54.840 0.245 0.000 0.778 20 L CB -0.418 41.737 42.059 0.160 0.000 0.928 20 L HN 0.226 nan 8.230 nan 0.000 0.446 21 L N -1.155 120.208 121.223 0.233 0.000 2.017 21 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 21 L C 2.519 179.583 176.870 0.323 0.000 1.073 21 L CA 1.448 56.423 54.840 0.225 0.000 0.745 21 L CB -0.596 41.534 42.059 0.118 0.000 0.894 21 L HN 0.173 nan 8.230 nan 0.000 0.432 22 F N 0.828 120.921 119.950 0.238 0.000 2.161 22 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 22 F C 2.147 178.181 175.800 0.390 0.000 1.089 22 F CA 1.582 59.769 58.000 0.312 0.000 1.282 22 F CB -0.389 38.822 39.000 0.351 0.000 1.010 22 F HN -0.020 nan 8.300 nan 0.000 0.485 23 G N -0.452 108.654 108.800 0.510 0.000 2.403 23 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 23 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 23 G C 1.805 176.836 174.900 0.218 0.000 1.154 23 G CA 0.596 45.915 45.100 0.366 0.000 0.784 23 G HN 0.583 nan 8.290 nan 0.000 0.538 24 A N 0.180 123.119 122.820 0.198 0.000 1.883 24 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 24 A C 2.157 179.824 177.584 0.139 0.000 1.186 24 A CA 1.635 53.742 52.037 0.117 0.000 0.624 24 A CB -0.817 18.247 19.000 0.107 0.000 0.822 24 A HN 0.513 nan 8.150 nan 0.000 0.444 25 W N 0.410 121.714 121.300 0.008 0.000 2.355 25 W HA -0.129 4.531 4.660 -0.000 0.000 0.309 25 W C 2.561 179.078 176.519 -0.004 0.000 1.206 25 W CA 2.376 59.706 57.345 -0.025 0.000 1.284 25 W CB -0.234 29.182 29.460 -0.073 0.000 1.145 25 W HN 0.359 nan 8.180 nan 0.000 0.502 26 A N 0.108 123.054 122.820 0.210 0.000 2.019 26 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 26 A C 2.153 179.773 177.584 0.061 0.000 1.164 26 A CA 1.844 53.993 52.037 0.188 0.000 0.644 26 A CB -1.544 17.547 19.000 0.151 0.000 0.805 26 A HN 0.408 nan 8.150 nan 0.000 0.449 27 G N -1.459 107.365 108.800 0.040 0.000 2.511 27 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 27 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 27 G C 1.357 176.237 174.900 -0.033 0.000 1.133 27 G CA 0.910 46.026 45.100 0.026 0.000 0.792 27 G HN 0.324 nan 8.290 nan 0.000 0.539 28 M N 0.637 120.162 119.600 -0.125 0.000 2.175 28 M HA 0.053 4.533 4.480 -0.000 0.000 0.264 28 M C 2.682 178.858 176.300 -0.207 0.000 1.063 28 M CA 0.573 55.757 55.300 -0.193 0.000 1.119 28 M CB -1.021 31.385 32.600 -0.323 0.000 1.377 28 M HN 0.095 nan 8.290 nan 0.000 0.415 29 V N 0.128 119.890 119.914 -0.254 0.000 2.307 29 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 29 V C 2.591 178.690 176.094 0.009 0.000 1.045 29 V CA 2.056 64.263 62.300 -0.156 0.000 1.024 29 V CB -1.671 30.134 31.823 -0.030 0.000 0.651 29 V HN 0.538 nan 8.190 nan 0.000 0.449 30 G N -0.626 108.212 108.800 0.064 0.000 2.432 30 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 30 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 30 G C 1.675 176.678 174.900 0.170 0.000 1.135 30 G CA 1.474 46.666 45.100 0.153 0.000 0.767 30 G HN 0.476 nan 8.290 nan 0.000 0.550 31 T N 1.644 116.238 114.554 0.066 0.000 2.737 31 T HA 0.028 4.378 4.350 -0.000 0.000 0.265 31 T C 2.853 177.536 174.700 -0.027 0.000 1.038 31 T CA 1.495 63.610 62.100 0.025 0.000 1.144 31 T CB -0.396 68.465 68.868 -0.012 0.000 0.866 31 T HN 0.357 nan 8.240 nan 0.000 0.434 32 A N 1.357 124.149 122.820 -0.045 0.000 1.877 32 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 32 A C 2.332 179.890 177.584 -0.043 0.000 1.186 32 A CA 1.293 53.292 52.037 -0.064 0.000 0.620 32 A CB -0.978 17.978 19.000 -0.074 0.000 0.822 32 A HN 0.468 nan 8.150 nan 0.000 0.443 33 L N 0.381 121.607 121.223 0.005 0.000 2.042 33 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 33 L C 3.073 179.878 176.870 -0.109 0.000 1.076 33 L CA 1.757 56.602 54.840 0.009 0.000 0.749 33 L CB -0.552 41.579 42.059 0.121 0.000 0.893 33 L HN 0.656 nan 8.230 nan 0.000 0.432 34 S N 0.028 115.624 115.700 -0.174 0.000 2.382 34 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 34 S C 1.962 176.455 174.600 -0.178 0.000 1.027 34 S CA 0.939 58.936 58.200 -0.338 0.000 0.991 34 S CB -0.579 62.488 63.200 -0.222 0.000 0.823 34 S HN 0.361 nan 8.310 nan 0.000 0.469 35 L N 0.539 121.674 121.223 -0.146 0.000 2.141 35 L HA 0.051 4.391 4.340 -0.000 0.000 0.209 35 L C 2.588 179.414 176.870 -0.072 0.000 1.094 35 L CA 0.895 55.635 54.840 -0.167 0.000 0.763 35 L CB -0.479 41.424 42.059 -0.261 0.000 0.908 35 L HN 0.319 nan 8.230 nan 0.000 0.437 36 L N -0.670 120.527 121.223 -0.044 0.000 2.056 36 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 36 L C 2.418 179.332 176.870 0.074 0.000 1.078 36 L CA 1.263 56.116 54.840 0.021 0.000 0.749 36 L CB -0.352 41.717 42.059 0.016 0.000 0.901 36 L HN 0.199 nan 8.230 nan 0.000 0.433 37 I N -0.717 119.868 120.570 0.025 0.000 2.208 37 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 37 I C 2.610 178.850 176.117 0.205 0.000 1.097 37 I CA 1.234 62.613 61.300 0.133 0.000 1.363 37 I CB -0.291 37.702 38.000 -0.012 0.000 1.051 37 I HN 0.241 nan 8.210 nan 0.000 0.413 38 R N 0.432 120.992 120.500 0.100 0.000 2.210 38 R HA 0.134 4.474 4.340 -0.000 0.000 0.203 38 R C 2.279 178.680 176.300 0.168 0.000 1.010 38 R CA 0.982 57.151 56.100 0.115 0.000 1.008 38 R CB -0.233 30.096 30.300 0.050 0.000 0.923 38 R HN 0.310 nan 8.270 nan 0.000 0.469 39 A N 1.415 124.342 122.820 0.177 0.000 1.902 39 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 39 A C 2.082 179.758 177.584 0.154 0.000 1.181 39 A CA 1.687 53.841 52.037 0.195 0.000 0.623 39 A CB -0.282 18.824 19.000 0.177 0.000 0.818 39 A HN 0.210 nan 8.150 nan 0.000 0.443 40 E N 0.393 120.696 120.200 0.171 0.000 2.077 40 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 40 E C 1.594 178.267 176.600 0.120 0.000 0.989 40 E CA 1.349 57.837 56.400 0.148 0.000 0.800 40 E CB -0.378 29.460 29.700 0.231 0.000 0.746 40 E HN 0.578 nan 8.360 nan 0.000 0.452 41 L N -0.750 120.582 121.223 0.183 0.000 2.591 41 L HA 0.237 4.577 4.340 -0.000 0.000 0.228 41 L C 1.942 178.966 176.870 0.256 0.000 1.133 41 L CA 0.471 55.465 54.840 0.257 0.000 0.880 41 L CB -0.002 42.193 42.059 0.227 0.000 1.033 41 L HN 0.220 nan 8.230 nan 0.000 0.450 42 G N 0.058 108.957 108.800 0.165 0.000 2.880 42 G HA2 0.005 3.965 3.960 -0.000 0.000 0.209 42 G HA3 0.005 3.965 3.960 -0.000 0.000 0.209 42 G C 0.455 175.419 174.900 0.107 0.000 1.157 42 G CA 0.009 45.180 45.100 0.120 0.000 0.779 42 G HN 0.493 nan 8.290 nan 0.000 0.539 43 Q N -0.436 119.431 119.800 0.112 0.000 2.377 43 Q HA 0.527 4.867 4.340 -0.000 0.000 0.279 43 Q C -3.214 172.777 176.000 -0.014 0.000 1.049 43 Q CA -2.310 53.540 55.803 0.079 0.000 0.825 43 Q CB 2.152 30.903 28.738 0.022 0.000 1.401 43 Q HN -0.163 nan 8.270 nan 0.000 0.404 44 P HA 0.292 nan 4.420 nan 0.000 0.264 44 P C 0.102 177.267 177.300 -0.225 0.000 1.183 44 P CA 1.483 64.386 63.100 -0.328 0.000 0.763 44 P CB 0.434 32.040 31.700 -0.157 0.000 0.807 45 G N 1.556 110.195 108.800 -0.268 0.000 2.479 45 G HA2 0.009 3.969 3.960 -0.000 0.000 0.686 45 G HA3 0.009 3.969 3.960 -0.000 0.000 0.686 45 G C -1.195 173.620 174.900 -0.142 0.000 1.295 45 G CA -0.891 44.114 45.100 -0.159 0.000 0.922 45 G HN 0.510 nan 8.290 nan 0.000 0.582 46 T N 1.300 115.798 114.554 -0.093 0.000 2.772 46 T HA 0.454 4.804 4.350 -0.000 0.000 0.288 46 T C 1.294 175.975 174.700 -0.032 0.000 0.994 46 T CA 0.072 62.130 62.100 -0.071 0.000 0.951 46 T CB 1.504 70.337 68.868 -0.059 0.000 0.933 46 T HN 0.846 nan 8.240 nan 0.000 0.447 47 L N 4.740 125.957 121.223 -0.010 0.000 2.071 47 L HA 0.310 4.650 4.340 -0.000 0.000 0.201 47 L C 1.677 178.568 176.870 0.034 0.000 1.076 47 L CA 1.485 56.337 54.840 0.019 0.000 0.755 47 L CB -0.425 41.661 42.059 0.044 0.000 0.915 47 L HN 0.622 nan 8.230 nan 0.000 0.445 48 L N -1.543 119.713 121.223 0.055 0.000 2.187 48 L HA 0.413 4.753 4.340 -0.000 0.000 0.197 48 L C 1.195 178.098 176.870 0.055 0.000 1.090 48 L CA 0.484 55.365 54.840 0.069 0.000 0.781 48 L CB -0.683 41.443 42.059 0.112 0.000 0.956 48 L HN 0.414 nan 8.230 nan 0.000 0.463 49 G N -1.018 107.816 108.800 0.058 0.000 2.494 49 G HA2 0.257 4.217 3.960 -0.000 0.000 0.308 49 G HA3 0.257 4.217 3.960 -0.000 0.000 0.308 49 G C -1.983 172.939 174.900 0.036 0.000 1.263 49 G CA -0.135 44.991 45.100 0.044 0.000 0.840 49 G HN 0.169 nan 8.290 nan 0.000 0.479 50 D N -0.686 119.732 120.400 0.031 0.000 2.440 50 D HA 0.245 4.885 4.640 -0.000 0.000 0.269 50 D C 0.483 176.816 176.300 0.055 0.000 1.249 50 D CA -0.276 53.732 54.000 0.013 0.000 1.055 50 D CB 0.357 41.160 40.800 0.005 0.000 1.104 50 D HN 0.184 nan 8.370 nan 0.000 0.561 51 D N -1.379 119.047 120.400 0.045 0.000 2.309 51 D HA -0.139 4.501 4.640 -0.000 0.000 0.212 51 D C 1.658 178.067 176.300 0.182 0.000 0.968 51 D CA 0.828 54.901 54.000 0.122 0.000 0.882 51 D CB 0.005 40.853 40.800 0.081 0.000 0.918 51 D HN 0.426 nan 8.370 nan 0.000 0.503 52 Q N 1.018 120.893 119.800 0.125 0.000 2.020 52 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 52 Q C 2.122 178.209 176.000 0.144 0.000 0.982 52 Q CA 1.000 56.880 55.803 0.127 0.000 0.838 52 Q CB -0.398 28.385 28.738 0.076 0.000 0.899 52 Q HN 0.369 nan 8.270 nan 0.000 0.423 53 I N -0.393 120.258 120.570 0.136 0.000 2.315 53 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 53 I C 1.954 178.162 176.117 0.150 0.000 1.117 53 I CA 1.083 62.460 61.300 0.128 0.000 1.404 53 I CB -0.165 37.901 38.000 0.110 0.000 1.071 53 I HN 0.434 nan 8.210 nan 0.000 0.419 54 Y N 2.006 122.352 120.300 0.075 0.000 2.081 54 Y HA -0.334 4.216 4.550 -0.000 0.000 0.280 54 Y C 2.227 178.188 175.900 0.102 0.000 1.163 54 Y CA 2.210 60.361 58.100 0.085 0.000 1.135 54 Y CB -0.317 38.194 38.460 0.085 0.000 0.970 54 Y HN 0.219 nan 8.280 nan 0.000 0.498 55 N N -0.151 118.606 118.700 0.094 0.000 2.494 55 N HA -0.084 4.656 4.740 -0.000 0.000 0.182 55 N C 1.749 177.269 175.510 0.016 0.000 1.076 55 N CA 0.939 53.994 53.050 0.010 0.000 0.908 55 N CB 0.071 38.650 38.487 0.153 0.000 0.967 55 N HN 0.297 nan 8.380 nan 0.000 0.449 56 V N 0.413 120.362 119.914 0.059 0.000 2.343 56 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 56 V C 2.371 178.495 176.094 0.050 0.000 1.051 56 V CA 1.169 63.518 62.300 0.081 0.000 1.036 56 V CB -0.384 31.505 31.823 0.110 0.000 0.654 56 V HN 0.043 nan 8.190 nan 0.000 0.451 57 V N -0.458 119.448 119.914 -0.012 0.000 2.358 57 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 57 V C 2.426 178.491 176.094 -0.049 0.000 1.047 57 V CA 1.762 64.046 62.300 -0.026 0.000 1.035 57 V CB -0.376 31.388 31.823 -0.099 0.000 0.658 57 V HN 0.390 nan 8.190 nan 0.000 0.452 58 V N 0.146 119.954 119.914 -0.177 0.000 2.287 58 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 58 V C 2.608 178.710 176.094 0.013 0.000 1.053 58 V CA 2.786 65.024 62.300 -0.102 0.000 1.027 58 V CB -1.048 30.670 31.823 -0.174 0.000 0.646 58 V HN 0.635 nan 8.190 nan 0.000 0.447 59 T N 0.311 114.856 114.554 -0.015 0.000 2.720 59 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 59 T C 2.025 176.722 174.700 -0.004 0.000 1.037 59 T CA 1.677 63.736 62.100 -0.068 0.000 1.144 59 T CB -0.463 68.409 68.868 0.008 0.000 0.864 59 T HN 0.581 nan 8.240 nan 0.000 0.444 60 A N 1.315 124.227 122.820 0.154 0.000 1.873 60 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 60 A C 2.004 179.712 177.584 0.206 0.000 1.186 60 A CA 2.201 54.397 52.037 0.266 0.000 0.616 60 A CB -1.063 18.082 19.000 0.242 0.000 0.823 60 A HN 0.661 nan 8.150 nan 0.000 0.442 61 H N 0.532 119.630 119.070 0.046 0.000 2.292 61 H HA -0.171 4.385 4.556 -0.000 0.000 0.292 61 H C 2.096 177.400 175.328 -0.040 0.000 1.100 61 H CA 2.708 58.766 56.048 0.016 0.000 1.238 61 H CB -0.500 29.261 29.762 -0.001 0.000 1.355 61 H HN 0.375 nan 8.280 nan 0.000 0.484 62 A N -0.231 122.411 122.820 -0.295 0.000 1.873 62 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 62 A C 2.324 179.652 177.584 -0.427 0.000 1.186 62 A CA 1.391 53.070 52.037 -0.598 0.000 0.616 62 A CB -1.080 17.492 19.000 -0.713 0.000 0.823 62 A HN 0.433 nan 8.150 nan 0.000 0.442 63 F N 0.182 120.076 119.950 -0.094 0.000 2.095 63 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 63 F C 2.522 178.222 175.800 -0.166 0.000 1.104 63 F CA 1.381 59.383 58.000 0.003 0.000 1.232 63 F CB -0.974 38.059 39.000 0.055 0.000 0.987 63 F HN 0.026 nan 8.300 nan 0.000 0.475 64 V N -0.554 119.430 119.914 0.116 0.000 2.358 64 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 64 V C 2.478 178.553 176.094 -0.031 0.000 1.047 64 V CA 1.426 63.779 62.300 0.089 0.000 1.035 64 V CB -0.521 31.411 31.823 0.182 0.000 0.658 64 V HN 0.231 nan 8.190 nan 0.000 0.452 65 M N -0.924 118.591 119.600 -0.143 0.000 2.175 65 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 65 M C 2.132 178.294 176.300 -0.231 0.000 1.063 65 M CA 1.864 57.055 55.300 -0.182 0.000 1.119 65 M CB -0.805 31.604 32.600 -0.320 0.000 1.377 65 M HN 0.289 nan 8.290 nan 0.000 0.415 66 I N -1.456 118.898 120.570 -0.360 0.000 2.206 66 I HA -0.232 3.938 4.170 -0.000 0.000 0.239 66 I C 1.878 177.726 176.117 -0.448 0.000 1.078 66 I CA 1.238 62.230 61.300 -0.514 0.000 1.367 66 I CB -0.303 37.197 38.000 -0.833 0.000 1.078 66 I HN 0.061 nan 8.210 nan 0.000 0.413 67 F N -0.709 119.057 119.950 -0.307 0.000 2.619 67 F HA 0.069 4.596 4.527 0.000 0.000 0.293 67 F C 1.642 177.289 175.800 -0.255 0.000 1.119 67 F CA 0.642 58.419 58.000 -0.371 0.000 1.445 67 F CB 0.072 38.655 39.000 -0.694 0.000 1.119 67 F HN -0.067 nan 8.300 nan 0.000 0.573 68 F N -2.336 117.726 119.950 0.186 0.000 2.712 68 F HA 0.201 4.728 4.527 -0.000 0.000 0.297 68 F C 1.888 177.809 175.800 0.201 0.000 1.114 68 F CA 0.109 58.219 58.000 0.183 0.000 1.305 68 F CB -0.242 38.577 39.000 -0.301 0.000 1.086 68 F HN -0.104 nan 8.300 nan 0.000 0.599 69 M N -0.631 119.118 119.600 0.248 0.000 3.101 69 M HA 0.137 4.617 4.480 -0.000 0.000 0.236 69 M C 1.901 178.300 176.300 0.165 0.000 1.538 69 M CA 1.098 56.514 55.300 0.194 0.000 1.309 69 M CB -0.415 32.245 32.600 0.101 0.000 1.141 69 M HN -0.102 nan 8.290 nan 0.000 0.579 70 V N 1.444 121.395 119.914 0.062 0.000 2.307 70 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 70 V C 2.498 178.634 176.094 0.070 0.000 1.045 70 V CA 1.850 64.174 62.300 0.040 0.000 1.024 70 V CB -0.691 31.091 31.823 -0.068 0.000 0.651 70 V HN 0.469 nan 8.190 nan 0.000 0.449 71 M N -0.717 118.911 119.600 0.046 0.000 2.156 71 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 71 M C -0.094 176.291 176.300 0.141 0.000 1.067 71 M CA 1.941 57.278 55.300 0.061 0.000 1.131 71 M CB -1.405 31.216 32.600 0.035 0.000 1.368 71 M HN 0.251 nan 8.290 nan 0.000 0.416 72 P HA -0.176 nan 4.420 nan 0.000 0.214 72 P C 1.429 178.899 177.300 0.284 0.000 1.163 72 P CA 1.495 64.834 63.100 0.398 0.000 0.889 72 P CB -0.090 32.031 31.700 0.701 0.000 0.790 73 I N -2.177 118.574 120.570 0.303 0.000 2.163 73 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 73 I C 2.492 178.827 176.117 0.363 0.000 1.081 73 I CA 1.649 63.133 61.300 0.306 0.000 1.353 73 I CB -0.433 37.757 38.000 0.317 0.000 1.054 73 I HN -0.075 nan 8.210 nan 0.000 0.407 74 M N -0.216 119.579 119.600 0.324 0.000 2.132 74 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 74 M C 2.138 178.586 176.300 0.247 0.000 1.065 74 M CA 2.076 57.585 55.300 0.347 0.000 1.122 74 M CB -0.032 32.666 32.600 0.163 0.000 1.365 74 M HN 0.201 nan 8.290 nan 0.000 0.411 75 I N -1.947 118.663 120.570 0.066 0.000 2.899 75 I HA 0.054 4.224 4.170 -0.000 0.000 0.257 75 I C 2.404 178.451 176.117 -0.117 0.000 1.115 75 I CA 0.673 61.914 61.300 -0.099 0.000 1.451 75 I CB -0.468 37.463 38.000 -0.115 0.000 1.251 75 I HN 0.240 nan 8.210 nan 0.000 0.456 76 G N 0.271 108.866 108.800 -0.341 0.000 2.464 76 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 76 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 76 G C 1.471 176.096 174.900 -0.458 0.000 1.138 76 G CA 0.813 45.306 45.100 -1.012 0.000 0.793 76 G HN 0.468 nan 8.290 nan 0.000 0.539 77 G N 0.550 109.293 108.800 -0.095 0.000 2.655 77 G HA2 0.126 4.086 3.960 -0.000 0.000 0.217 77 G HA3 0.126 4.086 3.960 -0.000 0.000 0.217 77 G C 1.417 176.307 174.900 -0.015 0.000 1.279 77 G CA 0.286 45.402 45.100 0.027 0.000 0.870 77 G HN 0.231 nan 8.290 nan 0.000 0.560 78 F N 1.928 121.963 119.950 0.141 0.000 2.161 78 F HA -0.013 4.514 4.527 -0.000 0.000 0.300 78 F C 2.923 178.851 175.800 0.212 0.000 1.089 78 F CA 1.132 59.194 58.000 0.103 0.000 1.282 78 F CB -0.529 38.473 39.000 0.003 0.000 1.010 78 F HN 0.233 nan 8.300 nan 0.000 0.485 79 G N -0.100 108.932 108.800 0.385 0.000 2.433 79 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 79 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 79 G C 1.677 176.867 174.900 0.484 0.000 1.186 79 G CA 0.988 46.221 45.100 0.222 0.000 0.779 79 G HN 0.250 nan 8.290 nan 0.000 0.543 80 N N -0.173 118.774 118.700 0.412 0.000 2.142 80 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 80 N C 1.950 177.596 175.510 0.228 0.000 1.023 80 N CA 0.843 54.049 53.050 0.260 0.000 0.852 80 N CB -0.262 38.284 38.487 0.097 0.000 0.998 80 N HN 0.548 nan 8.380 nan 0.000 0.424 81 W N 1.539 122.834 121.300 -0.008 0.000 2.354 81 W HA -0.003 4.657 4.660 -0.000 0.000 0.315 81 W C 2.214 178.766 176.519 0.055 0.000 1.206 81 W CA 0.647 57.920 57.345 -0.119 0.000 1.290 81 W CB -0.382 28.709 29.460 -0.615 0.000 1.152 81 W HN -0.002 nan 8.180 nan 0.000 0.489 82 L N -1.429 119.984 121.223 0.318 0.000 2.127 82 L HA -0.123 4.217 4.340 -0.000 0.000 0.203 82 L C 2.121 179.115 176.870 0.207 0.000 1.080 82 L CA 0.344 55.285 54.840 0.168 0.000 0.768 82 L CB -1.278 40.698 42.059 -0.139 0.000 0.924 82 L HN -0.185 nan 8.230 nan 0.000 0.444 83 V N 0.663 120.729 119.914 0.254 0.000 2.255 83 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 83 V C -0.123 175.989 176.094 0.031 0.000 1.051 83 V CA 2.206 64.603 62.300 0.162 0.000 1.018 83 V CB -1.412 30.528 31.823 0.195 0.000 0.641 83 V HN 0.299 nan 8.190 nan 0.000 0.445 84 P HA -0.140 nan 4.420 nan 0.000 0.215 84 P C 1.925 179.144 177.300 -0.135 0.000 1.153 84 P CA 1.455 64.400 63.100 -0.258 0.000 0.853 84 P CB -0.072 31.169 31.700 -0.766 0.000 0.788 85 L N -2.021 119.238 121.223 0.060 0.000 2.083 85 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 85 L C 2.416 179.350 176.870 0.107 0.000 1.083 85 L CA 1.574 56.567 54.840 0.255 0.000 0.752 85 L CB -0.836 41.434 42.059 0.352 0.000 0.899 85 L HN 0.009 nan 8.230 nan 0.000 0.433 86 M N -0.246 119.412 119.600 0.096 0.000 2.476 86 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 86 M C 1.672 177.983 176.300 0.018 0.000 1.079 86 M CA 1.283 56.656 55.300 0.122 0.000 1.104 86 M CB 0.009 32.735 32.600 0.210 0.000 1.409 86 M HN 0.342 nan 8.290 nan 0.000 0.467 87 I N -4.066 116.445 120.570 -0.099 0.000 3.974 87 I HA 0.489 4.659 4.170 -0.000 0.000 0.334 87 I C 0.784 176.685 176.117 -0.360 0.000 1.437 87 I CA -0.190 61.010 61.300 -0.168 0.000 1.113 87 I CB -0.123 37.788 38.000 -0.148 0.000 1.063 87 I HN 0.254 nan 8.210 nan 0.000 0.400 88 G N 1.939 110.342 108.800 -0.660 0.000 2.272 88 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.280 88 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.280 88 G C 0.177 174.484 174.900 -0.989 0.000 1.067 88 G CA 0.143 44.316 45.100 -1.544 0.000 0.902 88 G HN 0.949 nan 8.290 nan 0.000 0.500 89 A N 0.154 122.637 122.820 -0.562 0.000 2.295 89 A HA 0.913 5.233 4.320 -0.000 0.000 0.318 89 A C -0.241 177.289 177.584 -0.090 0.000 1.134 89 A CA -0.987 50.892 52.037 -0.262 0.000 0.827 89 A CB 1.334 20.187 19.000 -0.244 0.000 1.136 89 A HN 0.123 nan 8.150 nan 0.000 0.493 90 P HA 0.007 nan 4.420 nan 0.000 0.222 90 P C 0.029 177.340 177.300 0.019 0.000 1.153 90 P CA 1.117 64.263 63.100 0.078 0.000 0.798 90 P CB 0.475 32.204 31.700 0.048 0.000 0.796 91 D N -2.764 117.561 120.400 -0.125 0.000 3.485 91 D HA 0.143 4.783 4.640 -0.000 0.000 0.358 91 D C -0.703 175.429 176.300 -0.280 0.000 1.487 91 D CA -0.445 53.434 54.000 -0.202 0.000 0.922 91 D CB 0.400 41.176 40.800 -0.041 0.000 1.479 91 D HN -0.328 nan 8.370 nan 0.000 0.567 92 M N 0.939 120.387 119.600 -0.254 0.000 2.267 92 M HA 0.393 4.873 4.480 -0.000 0.000 0.303 92 M C 1.186 177.294 176.300 -0.321 0.000 1.164 92 M CA -0.075 55.040 55.300 -0.308 0.000 1.060 92 M CB 0.685 33.094 32.600 -0.317 0.000 1.455 92 M HN 0.595 nan 8.290 nan 0.000 0.483 93 A N 1.067 123.599 122.820 -0.480 0.000 1.969 93 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 93 A C 0.403 177.585 177.584 -0.670 0.000 1.169 93 A CA 1.457 53.074 52.037 -0.700 0.000 0.635 93 A CB -0.269 18.050 19.000 -1.136 0.000 0.810 93 A HN 0.555 nan 8.150 nan 0.000 0.445 94 F N -1.194 118.692 119.950 -0.106 0.000 2.449 94 F HA 0.380 4.907 4.527 0.000 0.000 0.344 94 F C -2.196 173.558 175.800 -0.076 0.000 1.180 94 F CA -2.784 55.169 58.000 -0.079 0.000 1.209 94 F CB 1.087 40.045 39.000 -0.069 0.000 1.440 94 F HN 0.006 nan 8.300 nan 0.000 0.526 95 P HA -0.092 nan 4.420 nan 0.000 0.226 95 P C 1.748 179.070 177.300 0.037 0.000 1.153 95 P CA 1.087 64.191 63.100 0.006 0.000 0.777 95 P CB 0.331 32.026 31.700 -0.008 0.000 0.794 96 R N -1.047 119.493 120.500 0.066 0.000 2.087 96 R HA 0.141 4.481 4.340 -0.000 0.000 0.216 96 R C 2.197 178.534 176.300 0.061 0.000 1.114 96 R CA 0.501 56.632 56.100 0.052 0.000 1.002 96 R CB -0.743 29.575 30.300 0.029 0.000 0.903 96 R HN -0.009 nan 8.270 nan 0.000 0.445 97 M N 1.573 121.211 119.600 0.064 0.000 2.151 97 M HA -0.328 4.152 4.480 -0.000 0.000 0.256 97 M C 1.859 178.209 176.300 0.085 0.000 1.072 97 M CA 2.382 57.716 55.300 0.058 0.000 1.090 97 M CB -0.479 32.147 32.600 0.043 0.000 1.294 97 M HN 0.186 nan 8.290 nan 0.000 0.415 98 N N 0.684 119.435 118.700 0.085 0.000 2.122 98 N HA -0.289 4.451 4.740 -0.000 0.000 0.199 98 N C 1.219 176.808 175.510 0.133 0.000 1.007 98 N CA 2.345 55.441 53.050 0.077 0.000 0.892 98 N CB -0.598 37.892 38.487 0.006 0.000 1.050 98 N HN 0.471 nan 8.380 nan 0.000 0.468 99 N N -0.447 118.329 118.700 0.126 0.000 2.409 99 N HA 0.006 4.746 4.740 -0.000 0.000 0.179 99 N C 1.711 177.376 175.510 0.259 0.000 1.032 99 N CA 0.580 53.743 53.050 0.189 0.000 0.898 99 N CB -0.177 38.438 38.487 0.213 0.000 0.971 99 N HN 0.400 nan 8.380 nan 0.000 0.441 100 M N -0.681 119.029 119.600 0.184 0.000 2.200 100 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 100 M C 1.770 178.142 176.300 0.119 0.000 1.066 100 M CA 1.019 56.417 55.300 0.164 0.000 1.127 100 M CB -0.003 32.653 32.600 0.094 0.000 1.379 100 M HN 0.032 nan 8.290 nan 0.000 0.420 101 S N 0.345 116.122 115.700 0.128 0.000 2.370 101 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 101 S C 1.503 176.147 174.600 0.074 0.000 1.033 101 S CA 1.606 59.896 58.200 0.149 0.000 1.011 101 S CB -0.562 62.788 63.200 0.251 0.000 0.852 101 S HN 0.613 nan 8.310 nan 0.000 0.457 102 F N 0.642 120.498 119.950 -0.157 0.000 2.102 102 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 102 F C 1.677 177.123 175.800 -0.588 0.000 1.105 102 F CA 1.178 58.729 58.000 -0.749 0.000 1.239 102 F CB -0.552 37.788 39.000 -1.099 0.000 0.991 102 F HN 0.231 nan 8.300 nan 0.000 0.474 103 W N 0.422 121.544 121.300 -0.296 0.000 2.699 103 W HA 0.004 4.664 4.660 -0.000 0.000 0.249 103 W C 1.943 178.273 176.519 -0.315 0.000 1.280 103 W CA 0.291 57.444 57.345 -0.320 0.000 1.345 103 W CB -0.258 29.180 29.460 -0.038 0.000 1.128 103 W HN 0.046 nan 8.180 nan 0.000 0.642 104 L N -0.307 120.844 121.223 -0.119 0.000 2.291 104 L HA -0.148 4.192 4.340 -0.000 0.000 0.214 104 L C 2.061 178.852 176.870 -0.131 0.000 1.120 104 L CA 0.715 55.517 54.840 -0.064 0.000 0.799 104 L CB -0.395 41.661 42.059 -0.006 0.000 0.925 104 L HN 0.076 nan 8.230 nan 0.000 0.446 105 L N -0.447 120.543 121.223 -0.388 0.000 2.095 105 L HA -0.080 4.260 4.340 -0.000 0.000 0.204 105 L C -0.240 176.482 176.870 -0.247 0.000 1.080 105 L CA 0.990 55.584 54.840 -0.409 0.000 0.759 105 L CB -1.698 39.813 42.059 -0.912 0.000 0.914 105 L HN 0.192 nan 8.230 nan 0.000 0.439 106 P HA -0.083 nan 4.420 nan 0.000 0.216 106 P C -1.385 175.959 177.300 0.075 0.000 1.153 106 P CA 1.330 64.472 63.100 0.071 0.000 0.848 106 P CB -0.893 30.849 31.700 0.070 0.000 0.787 107 P HA -0.173 nan 4.420 nan 0.000 0.215 107 P C 1.942 179.293 177.300 0.085 0.000 1.157 107 P CA 1.754 64.887 63.100 0.054 0.000 0.868 107 P CB -0.514 31.210 31.700 0.040 0.000 0.788 108 S N -1.799 113.959 115.700 0.098 0.000 2.365 108 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 108 S C 1.794 176.517 174.600 0.205 0.000 1.039 108 S CA 1.199 59.506 58.200 0.179 0.000 1.033 108 S CB -1.125 62.237 63.200 0.270 0.000 0.887 108 S HN 0.074 nan 8.310 nan 0.000 0.447 109 F N 0.580 120.390 119.950 -0.234 0.000 2.234 109 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 109 F C 1.983 177.726 175.800 -0.095 0.000 1.087 109 F CA 0.615 58.332 58.000 -0.471 0.000 1.340 109 F CB -0.033 38.599 39.000 -0.614 0.000 1.031 109 F HN 0.287 nan 8.300 nan 0.000 0.500 110 L N 0.664 121.974 121.223 0.145 0.000 2.056 110 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 110 L C 1.930 178.873 176.870 0.121 0.000 1.078 110 L CA 1.651 56.537 54.840 0.077 0.000 0.749 110 L CB -0.719 41.360 42.059 0.033 0.000 0.901 110 L HN 0.122 nan 8.230 nan 0.000 0.433 111 L N -1.177 120.130 121.223 0.141 0.000 2.083 111 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 111 L C 2.520 179.493 176.870 0.172 0.000 1.083 111 L CA 1.442 56.370 54.840 0.147 0.000 0.752 111 L CB -0.606 41.544 42.059 0.152 0.000 0.899 111 L HN 0.379 nan 8.230 nan 0.000 0.433 112 L N -0.226 121.139 121.223 0.237 0.000 2.017 112 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 112 L C 2.494 179.524 176.870 0.267 0.000 1.073 112 L CA 1.474 56.478 54.840 0.273 0.000 0.745 112 L CB -0.133 42.199 42.059 0.455 0.000 0.894 112 L HN 0.142 nan 8.230 nan 0.000 0.432 113 L N -0.175 121.213 121.223 0.274 0.000 2.042 113 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 113 L C 2.876 179.829 176.870 0.138 0.000 1.076 113 L CA 1.200 56.154 54.840 0.190 0.000 0.749 113 L CB -1.041 41.089 42.059 0.119 0.000 0.893 113 L HN 0.397 nan 8.230 nan 0.000 0.432 114 A N 0.219 123.111 122.820 0.121 0.000 1.908 114 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 114 A C 2.557 180.207 177.584 0.110 0.000 1.181 114 A CA 2.172 54.269 52.037 0.101 0.000 0.627 114 A CB -0.810 18.246 19.000 0.093 0.000 0.818 114 A HN 0.522 nan 8.150 nan 0.000 0.445 115 S N 0.390 116.166 115.700 0.126 0.000 2.419 115 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 115 S C 1.970 176.646 174.600 0.125 0.000 1.016 115 S CA 1.928 60.201 58.200 0.121 0.000 0.974 115 S CB -0.690 62.579 63.200 0.115 0.000 0.786 115 S HN 0.955 nan 8.310 nan 0.000 0.492 116 S N 0.241 116.022 115.700 0.135 0.000 2.501 116 S HA 0.237 4.707 4.470 -0.000 0.000 0.220 116 S C 1.788 176.452 174.600 0.106 0.000 0.997 116 S CA 0.134 58.412 58.200 0.130 0.000 0.919 116 S CB -0.252 63.035 63.200 0.146 0.000 0.778 116 S HN 0.387 nan 8.310 nan 0.000 0.523 117 M N 2.097 121.754 119.600 0.096 0.000 2.394 117 M HA 0.276 4.756 4.480 -0.000 0.000 0.266 117 M C 1.012 177.354 176.300 0.070 0.000 1.098 117 M CA 0.432 55.778 55.300 0.077 0.000 1.149 117 M CB -0.624 32.018 32.600 0.069 0.000 1.369 117 M HN 0.408 nan 8.290 nan 0.000 0.450 118 V N -1.069 118.892 119.914 0.077 0.000 2.716 118 V HA 0.421 4.541 4.120 -0.000 0.000 0.304 118 V C 0.767 176.905 176.094 0.073 0.000 1.053 118 V CA -0.971 61.371 62.300 0.070 0.000 0.984 118 V CB 1.369 33.235 31.823 0.072 0.000 1.021 118 V HN 0.510 nan 8.190 nan 0.000 0.467 119 E N 2.323 122.560 120.200 0.061 0.000 3.440 119 E HA -0.343 4.007 4.350 -0.000 0.000 0.328 119 E C 0.961 177.596 176.600 0.058 0.000 1.514 119 E CA 2.023 58.456 56.400 0.056 0.000 1.926 119 E CB -1.599 28.139 29.700 0.063 0.000 1.874 119 E HN 1.554 nan 8.360 nan 0.000 0.471 120 A N 1.510 124.366 122.820 0.060 0.000 2.460 120 A HA 0.506 4.826 4.320 -0.000 0.000 0.258 120 A C 0.897 178.544 177.584 0.104 0.000 1.300 120 A CA 1.514 53.589 52.037 0.063 0.000 0.913 120 A CB -0.220 18.797 19.000 0.029 0.000 1.031 120 A HN 1.372 nan 8.150 nan 0.000 0.512 121 G N -1.245 107.629 108.800 0.123 0.000 2.796 121 G HA2 0.339 4.299 3.960 -0.000 0.000 0.571 121 G HA3 0.339 4.299 3.960 -0.000 0.000 0.571 121 G C -0.017 175.007 174.900 0.206 0.000 1.370 121 G CA -0.345 44.843 45.100 0.148 0.000 0.856 121 G HN 1.729 nan 8.290 nan 0.000 0.538 122 A N 0.110 123.034 122.820 0.174 0.000 2.322 122 A HA 0.754 5.074 4.320 -0.000 0.000 0.327 122 A C 0.801 178.441 177.584 0.093 0.000 1.394 122 A CA 0.786 52.890 52.037 0.112 0.000 0.921 122 A CB 0.608 19.625 19.000 0.029 0.000 1.153 122 A HN 2.329 nan 8.150 nan 0.000 0.523 123 G N 1.720 110.648 108.800 0.214 0.000 3.506 123 G HA2 0.365 4.325 3.960 -0.000 0.000 0.268 123 G HA3 0.365 4.325 3.960 -0.000 0.000 0.268 123 G C 0.687 175.617 174.900 0.050 0.000 0.959 123 G CA 0.537 45.737 45.100 0.167 0.000 1.823 123 G HN 0.834 nan 8.290 nan 0.000 0.615 124 T N -2.491 112.008 114.554 -0.092 0.000 3.044 124 T HA 0.484 4.834 4.350 -0.000 0.000 0.260 124 T C 1.212 175.818 174.700 -0.156 0.000 1.019 124 T CA 0.465 62.463 62.100 -0.169 0.000 0.921 124 T CB 0.538 69.235 68.868 -0.284 0.000 1.053 124 T HN 1.528 nan 8.240 nan 0.000 0.533 125 G N 1.889 110.624 108.800 -0.108 0.000 2.785 125 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.685 125 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.685 125 G C 0.373 175.120 174.900 -0.254 0.000 1.480 125 G CA -0.198 44.809 45.100 -0.156 0.000 0.915 125 G HN 0.672 nan 8.290 nan 0.000 0.576 126 W N 0.456 121.433 121.300 -0.539 0.000 2.699 126 W HA -0.002 4.658 4.660 -0.000 0.000 0.249 126 W C 1.491 177.710 176.519 -0.499 0.000 1.280 126 W CA 1.795 58.615 57.345 -0.875 0.000 1.345 126 W CB -1.356 27.504 29.460 -1.000 0.000 1.128 126 W HN 0.968 nan 8.180 nan 0.000 0.642 127 T N -1.093 112.760 114.554 -1.169 0.000 3.067 127 T HA 0.085 4.435 4.350 -0.000 0.000 0.257 127 T C 1.143 175.249 174.700 -0.989 0.000 1.105 127 T CA 0.718 61.724 62.100 -1.822 0.000 1.104 127 T CB -0.693 67.111 68.868 -1.774 0.000 0.925 127 T HN 0.160 nan 8.240 nan 0.000 0.498 128 V N 0.437 120.025 119.914 -0.544 0.000 5.487 128 V HA -0.224 3.896 4.120 -0.000 0.000 0.302 128 V C 0.101 175.953 176.094 -0.403 0.000 0.511 128 V CA 0.233 62.347 62.300 -0.309 0.000 0.684 128 V CB -3.049 28.692 31.823 -0.137 0.000 0.458 128 V HN 0.709 nan 8.190 nan 0.000 1.195 129 Y N 1.876 121.889 120.300 -0.479 0.000 2.442 129 Y HA 0.275 4.825 4.550 -0.000 0.000 0.330 129 Y C -0.835 174.773 175.900 -0.486 0.000 1.129 129 Y CA -2.014 55.768 58.100 -0.531 0.000 1.365 129 Y CB 1.162 39.481 38.460 -0.236 0.000 1.233 129 Y HN 0.261 nan 8.280 nan 0.000 0.529 130 P HA 0.080 nan 4.420 nan 0.000 0.274 130 P C -2.366 174.893 177.300 -0.067 0.000 1.256 130 P CA -1.540 61.433 63.100 -0.212 0.000 0.795 130 P CB 0.539 32.119 31.700 -0.200 0.000 1.038 131 P HA 0.035 nan 4.420 nan 0.000 0.236 131 P C 1.543 178.868 177.300 0.042 0.000 1.177 131 P CA 0.136 63.254 63.100 0.030 0.000 0.773 131 P CB -0.131 31.600 31.700 0.052 0.000 0.878 132 L N 0.493 121.746 121.223 0.049 0.000 2.081 132 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 132 L C 1.935 178.874 176.870 0.115 0.000 1.080 132 L CA 2.138 57.039 54.840 0.102 0.000 0.754 132 L CB -1.228 40.894 42.059 0.104 0.000 0.893 132 L HN -0.062 nan 8.230 nan 0.000 0.433 133 A N -0.947 121.848 122.820 -0.041 0.000 2.251 133 A HA 0.413 4.733 4.320 -0.000 0.000 0.209 133 A C 1.331 178.895 177.584 -0.034 0.000 1.187 133 A CA 0.353 52.314 52.037 -0.126 0.000 0.823 133 A CB -1.256 17.596 19.000 -0.247 0.000 0.846 133 A HN 0.483 nan 8.150 nan 0.000 0.486 134 G N 0.006 108.818 108.800 0.021 0.000 2.588 134 G HA2 0.276 4.236 3.960 -0.000 0.000 0.278 134 G HA3 0.276 4.236 3.960 -0.000 0.000 0.278 134 G C 0.566 175.509 174.900 0.072 0.000 1.307 134 G CA 0.110 45.237 45.100 0.045 0.000 1.016 134 G HN 0.452 nan 8.290 nan 0.000 0.503 135 N N -0.949 117.786 118.700 0.059 0.000 2.521 135 N HA -0.026 4.714 4.740 -0.000 0.000 0.188 135 N C 1.375 176.915 175.510 0.050 0.000 1.146 135 N CA 0.506 53.590 53.050 0.056 0.000 0.893 135 N CB 0.168 38.682 38.487 0.045 0.000 0.975 135 N HN 0.307 nan 8.380 nan 0.000 0.451 136 L N -0.830 120.423 121.223 0.050 0.000 2.433 136 L HA 0.518 4.857 4.340 -0.000 0.000 0.200 136 L C 1.960 178.847 176.870 0.028 0.000 1.059 136 L CA 0.914 55.775 54.840 0.035 0.000 0.835 136 L CB -0.760 41.319 42.059 0.033 0.000 1.076 136 L HN 0.081 nan 8.230 nan 0.000 0.481 137 A N -1.875 120.974 122.820 0.048 0.000 2.123 137 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 137 A C 0.285 177.863 177.584 -0.011 0.000 1.152 137 A CA 0.657 52.714 52.037 0.033 0.000 0.728 137 A CB -0.657 18.394 19.000 0.085 0.000 0.814 137 A HN 0.614 nan 8.150 nan 0.000 0.464 138 H N -0.681 118.398 119.070 0.016 0.000 2.379 138 H HA 0.565 5.121 4.556 -0.000 0.000 0.229 138 H C 0.145 175.484 175.328 0.019 0.000 1.423 138 H CA -0.061 55.997 56.048 0.017 0.000 1.375 138 H CB 0.449 30.218 29.762 0.010 0.000 1.592 138 H HN 0.419 nan 8.280 nan 0.000 0.507 139 A N 1.031 123.879 122.820 0.047 0.000 2.386 139 A HA 0.622 4.942 4.320 -0.000 0.000 0.248 139 A C 1.051 178.669 177.584 0.057 0.000 1.082 139 A CA 0.659 52.725 52.037 0.048 0.000 0.789 139 A CB -0.132 18.883 19.000 0.024 0.000 1.025 139 A HN 0.877 nan 8.150 nan 0.000 0.490 140 G N -0.902 107.932 108.800 0.058 0.000 2.610 140 G HA2 0.338 4.298 3.960 -0.000 0.000 0.304 140 G HA3 0.338 4.298 3.960 -0.000 0.000 0.304 140 G C 0.621 175.566 174.900 0.075 0.000 1.309 140 G CA 0.192 45.330 45.100 0.062 0.000 0.906 140 G HN 2.011 nan 8.290 nan 0.000 0.521 141 A N -0.732 122.136 122.820 0.080 0.000 2.195 141 A HA 0.505 4.825 4.320 -0.000 0.000 0.210 141 A C 2.495 180.134 177.584 0.092 0.000 1.165 141 A CA 1.943 54.034 52.037 0.090 0.000 0.806 141 A CB -0.361 18.698 19.000 0.097 0.000 0.847 141 A HN 1.433 nan 8.150 nan 0.000 0.482 142 S N 0.004 115.764 115.700 0.100 0.000 2.353 142 S HA -0.172 4.298 4.470 -0.000 0.000 0.222 142 S C 1.895 176.535 174.600 0.066 0.000 1.035 142 S CA 1.707 59.968 58.200 0.103 0.000 1.025 142 S CB -0.464 62.819 63.200 0.138 0.000 0.902 142 S HN 0.362 nan 8.310 nan 0.000 0.440 143 V N 2.705 122.648 119.914 0.048 0.000 2.332 143 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 143 V C 2.027 178.072 176.094 -0.080 0.000 1.055 143 V CA 1.830 64.111 62.300 -0.032 0.000 1.038 143 V CB -0.700 31.088 31.823 -0.058 0.000 0.651 143 V HN 0.449 nan 8.190 nan 0.000 0.450 144 D N -0.104 120.260 120.400 -0.060 0.000 2.178 144 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 144 D C 2.151 178.394 176.300 -0.095 0.000 0.974 144 D CA 1.046 54.946 54.000 -0.167 0.000 0.841 144 D CB -0.072 40.688 40.800 -0.068 0.000 0.953 144 D HN 0.364 nan 8.370 nan 0.000 0.478 145 L N 0.687 121.959 121.223 0.083 0.000 2.056 145 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 145 L C 2.595 179.502 176.870 0.063 0.000 1.078 145 L CA 1.055 55.995 54.840 0.167 0.000 0.749 145 L CB -0.597 41.552 42.059 0.151 0.000 0.901 145 L HN -0.015 nan 8.230 nan 0.000 0.433 146 T N 0.095 114.631 114.554 -0.030 0.000 2.746 146 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 146 T C 1.910 176.454 174.700 -0.260 0.000 1.039 146 T CA 1.331 63.345 62.100 -0.143 0.000 1.142 146 T CB -0.153 68.650 68.868 -0.107 0.000 0.866 146 T HN 0.181 nan 8.240 nan 0.000 0.444 147 I N 0.111 120.515 120.570 -0.276 0.000 2.179 147 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 147 I C 2.039 177.939 176.117 -0.363 0.000 1.088 147 I CA 1.339 62.395 61.300 -0.407 0.000 1.357 147 I CB -0.365 37.348 38.000 -0.479 0.000 1.051 147 I HN 0.164 nan 8.210 nan 0.000 0.409 148 F N 0.637 120.546 119.950 -0.069 0.000 2.126 148 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 148 F C 3.000 178.792 175.800 -0.014 0.000 1.096 148 F CA 1.640 59.669 58.000 0.047 0.000 1.255 148 F CB -1.304 37.735 39.000 0.064 0.000 0.997 148 F HN 0.035 nan 8.300 nan 0.000 0.479 149 S N 0.133 115.898 115.700 0.108 0.000 2.374 149 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 149 S C 2.157 176.696 174.600 -0.102 0.000 1.037 149 S CA 1.272 59.497 58.200 0.042 0.000 1.024 149 S CB -0.437 62.757 63.200 -0.009 0.000 0.861 149 S HN 0.356 nan 8.310 nan 0.000 0.456 150 L N -0.100 120.941 121.223 -0.304 0.000 2.109 150 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 150 L C 2.419 179.118 176.870 -0.284 0.000 1.086 150 L CA 1.522 56.071 54.840 -0.486 0.000 0.760 150 L CB -0.622 41.070 42.059 -0.612 0.000 0.910 150 L HN 0.455 nan 8.230 nan 0.000 0.437 151 H N -0.407 118.587 119.070 -0.126 0.000 2.353 151 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 151 H C 2.313 177.628 175.328 -0.021 0.000 1.090 151 H CA 1.076 57.093 56.048 -0.051 0.000 1.327 151 H CB 0.188 29.988 29.762 0.062 0.000 1.383 151 H HN 0.197 nan 8.280 nan 0.000 0.508 152 L N -0.097 121.213 121.223 0.146 0.000 2.056 152 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 152 L C 2.832 179.744 176.870 0.071 0.000 1.078 152 L CA 0.863 55.759 54.840 0.094 0.000 0.749 152 L CB -0.709 41.404 42.059 0.089 0.000 0.901 152 L HN 0.334 nan 8.230 nan 0.000 0.433 153 A N 0.662 123.509 122.820 0.046 0.000 1.978 153 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 153 A C 2.380 179.993 177.584 0.049 0.000 1.170 153 A CA 1.842 53.909 52.037 0.051 0.000 0.636 153 A CB -1.003 17.953 19.000 -0.074 0.000 0.810 153 A HN 0.462 nan 8.150 nan 0.000 0.448 154 G N -0.992 107.806 108.800 -0.004 0.000 2.408 154 G HA2 0.029 3.989 3.960 -0.000 0.000 0.215 154 G HA3 0.029 3.989 3.960 -0.000 0.000 0.215 154 G C 1.453 176.390 174.900 0.061 0.000 1.156 154 G CA 0.938 46.051 45.100 0.021 0.000 0.793 154 G HN 0.282 nan 8.290 nan 0.000 0.535 155 V N 1.113 121.063 119.914 0.060 0.000 2.332 155 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 155 V C 3.060 179.198 176.094 0.073 0.000 1.055 155 V CA 2.289 64.622 62.300 0.054 0.000 1.038 155 V CB -0.303 31.543 31.823 0.038 0.000 0.651 155 V HN 0.496 nan 8.190 nan 0.000 0.450 156 S N -0.740 115.013 115.700 0.087 0.000 2.368 156 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 156 S C 2.184 176.871 174.600 0.145 0.000 1.029 156 S CA 1.978 60.243 58.200 0.110 0.000 0.988 156 S CB -0.214 63.054 63.200 0.112 0.000 0.838 156 S HN 0.581 nan 8.310 nan 0.000 0.462 157 S N 0.919 116.709 115.700 0.150 0.000 2.387 157 S HA 0.155 4.625 4.470 -0.000 0.000 0.226 157 S C 1.708 176.397 174.600 0.149 0.000 1.026 157 S CA 0.957 59.257 58.200 0.167 0.000 0.972 157 S CB -0.345 62.962 63.200 0.178 0.000 0.814 157 S HN 0.511 nan 8.310 nan 0.000 0.477 158 I N 1.485 122.128 120.570 0.122 0.000 2.142 158 I HA -0.191 3.979 4.170 -0.000 0.000 0.240 158 I C 2.008 178.186 176.117 0.101 0.000 1.078 158 I CA 1.174 62.537 61.300 0.105 0.000 1.343 158 I CB -0.308 37.739 38.000 0.078 0.000 1.046 158 I HN 0.243 nan 8.210 nan 0.000 0.405 159 L N 0.135 121.411 121.223 0.088 0.000 2.046 159 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 159 L C 2.685 179.621 176.870 0.110 0.000 1.077 159 L CA 1.520 56.407 54.840 0.079 0.000 0.747 159 L CB -1.314 40.781 42.059 0.060 0.000 0.896 159 L HN 0.342 nan 8.230 nan 0.000 0.432 160 G N -0.131 108.752 108.800 0.138 0.000 2.440 160 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 160 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 160 G C 1.785 176.824 174.900 0.231 0.000 1.154 160 G CA 0.913 46.110 45.100 0.162 0.000 0.767 160 G HN 0.474 nan 8.290 nan 0.000 0.552 161 A N 0.704 123.657 122.820 0.222 0.000 1.902 161 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 161 A C 2.413 180.110 177.584 0.189 0.000 1.181 161 A CA 1.343 53.515 52.037 0.225 0.000 0.623 161 A CB -0.363 18.733 19.000 0.161 0.000 0.818 161 A HN 0.380 nan 8.150 nan 0.000 0.443 162 I N -0.251 120.410 120.570 0.152 0.000 2.226 162 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 162 I C 2.438 178.674 176.117 0.198 0.000 1.100 162 I CA 1.102 62.496 61.300 0.156 0.000 1.374 162 I CB -0.407 37.670 38.000 0.128 0.000 1.057 162 I HN 0.350 nan 8.210 nan 0.000 0.413 163 N N 1.093 119.896 118.700 0.172 0.000 2.061 163 N HA -0.213 4.527 4.740 -0.000 0.000 0.193 163 N C 1.879 177.295 175.510 -0.158 0.000 1.030 163 N CA 1.864 54.930 53.050 0.026 0.000 0.856 163 N CB -0.304 38.127 38.487 -0.093 0.000 1.023 163 N HN 0.228 nan 8.380 nan 0.000 0.424 164 F N 0.880 120.822 119.950 -0.013 0.000 2.146 164 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 164 F C 2.379 178.130 175.800 -0.082 0.000 1.096 164 F CA 0.621 58.581 58.000 -0.067 0.000 1.275 164 F CB -0.236 38.721 39.000 -0.071 0.000 1.008 164 F HN 0.010 nan 8.300 nan 0.000 0.480 165 I N -0.567 120.085 120.570 0.137 0.000 2.202 165 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 165 I C 2.282 178.392 176.117 -0.012 0.000 1.091 165 I CA 1.557 62.888 61.300 0.052 0.000 1.368 165 I CB -0.814 37.224 38.000 0.063 0.000 1.058 165 I HN 0.104 nan 8.210 nan 0.000 0.410 166 T N -0.069 114.476 114.554 -0.015 0.000 2.684 166 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 166 T C 1.911 176.500 174.700 -0.185 0.000 1.036 166 T CA 2.090 64.134 62.100 -0.092 0.000 1.148 166 T CB -0.518 68.278 68.868 -0.121 0.000 0.863 166 T HN 0.356 nan 8.240 nan 0.000 0.436 167 T N 2.055 116.471 114.554 -0.230 0.000 2.684 167 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 167 T C 1.981 176.579 174.700 -0.171 0.000 1.036 167 T CA 1.079 63.035 62.100 -0.240 0.000 1.148 167 T CB -0.437 68.286 68.868 -0.242 0.000 0.863 167 T HN 0.329 nan 8.240 nan 0.000 0.436 168 I N 0.325 120.820 120.570 -0.126 0.000 2.353 168 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 168 I C 2.001 178.007 176.117 -0.185 0.000 1.119 168 I CA 0.750 61.958 61.300 -0.153 0.000 1.417 168 I CB -0.181 37.727 38.000 -0.153 0.000 1.078 168 I HN 0.182 nan 8.210 nan 0.000 0.421 169 I N 0.475 120.950 120.570 -0.158 0.000 2.406 169 I HA -0.174 3.996 4.170 -0.000 0.000 0.249 169 I C 2.076 178.113 176.117 -0.134 0.000 1.122 169 I CA 1.470 62.680 61.300 -0.150 0.000 1.431 169 I CB -1.312 36.625 38.000 -0.104 0.000 1.087 169 I HN 0.276 nan 8.210 nan 0.000 0.424 170 N N 0.227 118.846 118.700 -0.136 0.000 2.388 170 N HA 0.066 4.806 4.740 -0.000 0.000 0.176 170 N C 1.169 176.598 175.510 -0.135 0.000 1.062 170 N CA 0.560 53.534 53.050 -0.126 0.000 0.895 170 N CB 0.226 38.634 38.487 -0.131 0.000 1.018 170 N HN 0.152 nan 8.380 nan 0.000 0.456 171 M N 0.036 119.542 119.600 -0.157 0.000 2.673 171 M HA 0.222 4.702 4.480 -0.000 0.000 0.334 171 M C -0.421 175.784 176.300 -0.159 0.000 1.211 171 M CA -0.198 55.007 55.300 -0.159 0.000 0.962 171 M CB 0.734 33.221 32.600 -0.187 0.000 1.343 171 M HN -0.156 nan 8.290 nan 0.000 0.511 172 K N 1.252 121.563 120.400 -0.148 0.000 2.126 172 K HA 0.398 4.718 4.320 -0.000 0.000 0.257 172 K C -2.369 174.154 176.600 -0.129 0.000 1.007 172 K CA -1.638 54.562 56.287 -0.146 0.000 0.928 172 K CB 0.179 32.596 32.500 -0.138 0.000 1.013 172 K HN -0.124 nan 8.250 nan 0.000 0.473 173 P HA -0.025 nan 4.420 nan 0.000 0.265 173 P C -2.141 175.102 177.300 -0.095 0.000 1.187 173 P CA -0.828 62.207 63.100 -0.107 0.000 0.766 173 P CB 0.115 31.754 31.700 -0.101 0.000 0.820 174 P HA -0.161 nan 4.420 nan 0.000 0.219 174 P C 0.933 178.188 177.300 -0.075 0.000 1.146 174 P CA 1.523 64.576 63.100 -0.078 0.000 0.808 174 P CB -0.180 31.475 31.700 -0.074 0.000 0.779 175 A N -1.570 121.198 122.820 -0.085 0.000 2.178 175 A HA 0.099 4.419 4.320 -0.000 0.000 0.211 175 A C 1.235 178.788 177.584 -0.051 0.000 1.157 175 A CA -0.018 51.976 52.037 -0.072 0.000 0.780 175 A CB -0.876 18.067 19.000 -0.095 0.000 0.828 175 A HN 0.174 nan 8.150 nan 0.000 0.476 176 M N 2.114 121.679 119.600 -0.058 0.000 2.105 176 M HA 0.289 4.769 4.480 -0.000 0.000 0.350 176 M C 0.506 176.777 176.300 -0.049 0.000 1.308 176 M CA -0.230 55.044 55.300 -0.044 0.000 1.108 176 M CB 0.594 33.160 32.600 -0.056 0.000 1.622 176 M HN 0.411 nan 8.290 nan 0.000 0.468 177 S N 3.454 119.142 115.700 -0.020 0.000 2.671 177 S HA 0.176 4.646 4.470 -0.000 0.000 0.272 177 S C 0.672 175.211 174.600 -0.101 0.000 1.174 177 S CA -0.374 57.797 58.200 -0.049 0.000 1.004 177 S CB 1.162 64.377 63.200 0.025 0.000 1.077 177 S HN 0.826 nan 8.310 nan 0.000 0.553 178 Q N -0.554 119.090 119.800 -0.260 0.000 2.224 178 Q HA 0.091 4.431 4.340 -0.000 0.000 0.203 178 Q C 0.653 176.622 176.000 -0.051 0.000 0.970 178 Q CA 1.537 57.117 55.803 -0.372 0.000 0.865 178 Q CB -0.592 27.796 28.738 -0.583 0.000 0.922 178 Q HN 0.831 nan 8.270 nan 0.000 0.445 179 Y N -0.497 120.044 120.300 0.402 0.000 2.471 179 Y HA 0.163 4.713 4.550 -0.000 0.000 0.321 179 Y C 0.702 176.775 175.900 0.289 0.000 1.195 179 Y CA 0.224 58.644 58.100 0.535 0.000 1.272 179 Y CB 0.044 38.727 38.460 0.372 0.000 1.097 179 Y HN 0.105 nan 8.280 nan 0.000 0.507 180 Q N -0.475 119.483 119.800 0.264 0.000 2.118 180 Q HA 0.122 4.462 4.340 -0.000 0.000 0.219 180 Q C 0.301 176.388 176.000 0.144 0.000 0.794 180 Q CA -0.151 55.716 55.803 0.107 0.000 1.035 180 Q CB 0.858 29.624 28.738 0.047 0.000 1.177 180 Q HN 0.296 nan 8.270 nan 0.000 0.478 181 T N -2.005 112.703 114.554 0.258 0.000 2.907 181 T HA 0.603 4.953 4.350 -0.000 0.000 0.284 181 T C -2.555 172.416 174.700 0.452 0.000 1.004 181 T CA -2.234 59.981 62.100 0.192 0.000 1.063 181 T CB 1.460 70.284 68.868 -0.073 0.000 0.992 181 T HN -0.224 nan 8.240 nan 0.000 0.483 182 P HA 0.211 nan 4.420 nan 0.000 0.270 182 P C 1.040 178.770 177.300 0.716 0.000 1.223 182 P CA -0.552 62.889 63.100 0.568 0.000 0.785 182 P CB 0.444 32.503 31.700 0.599 0.000 0.923 183 L N 0.359 122.036 121.223 0.757 0.000 2.187 183 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 183 L C 2.091 179.334 176.870 0.623 0.000 1.100 183 L CA 1.419 56.640 54.840 0.635 0.000 0.765 183 L CB -0.600 41.734 42.059 0.459 0.000 0.904 183 L HN 0.382 nan 8.230 nan 0.000 0.437 184 F N -0.183 120.084 119.950 0.528 0.000 2.259 184 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 184 F C 2.107 177.975 175.800 0.113 0.000 1.088 184 F CA 1.040 59.107 58.000 0.112 0.000 1.358 184 F CB -0.174 38.637 39.000 -0.314 0.000 1.040 184 F HN -0.259 nan 8.300 nan 0.000 0.505 185 V N -0.799 119.192 119.914 0.128 0.000 2.307 185 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 185 V C 2.096 178.130 176.094 -0.100 0.000 1.045 185 V CA 2.018 64.267 62.300 -0.084 0.000 1.024 185 V CB -1.103 30.720 31.823 -0.001 0.000 0.651 185 V HN 0.472 nan 8.190 nan 0.000 0.449 186 W N 1.025 122.331 121.300 0.010 0.000 2.305 186 W HA -0.288 4.372 4.660 -0.000 0.000 0.308 186 W C 3.005 179.487 176.519 -0.062 0.000 1.226 186 W CA 2.163 59.506 57.345 -0.004 0.000 1.253 186 W CB -0.532 28.951 29.460 0.038 0.000 1.146 186 W HN 0.401 nan 8.180 nan 0.000 0.507 187 S N -0.657 115.130 115.700 0.145 0.000 2.402 187 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 187 S C 1.679 176.186 174.600 -0.155 0.000 1.021 187 S CA 1.463 59.680 58.200 0.029 0.000 0.974 187 S CB -0.920 62.320 63.200 0.068 0.000 0.800 187 S HN 0.072 nan 8.310 nan 0.000 0.484 188 V N 1.742 121.418 119.914 -0.398 0.000 2.379 188 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 188 V C 2.594 178.520 176.094 -0.280 0.000 1.044 188 V CA 2.088 64.084 62.300 -0.508 0.000 1.036 188 V CB -0.695 30.655 31.823 -0.787 0.000 0.664 188 V HN 0.579 nan 8.190 nan 0.000 0.453 189 M N -0.411 119.090 119.600 -0.165 0.000 2.099 189 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 189 M C 2.062 178.373 176.300 0.018 0.000 1.067 189 M CA 2.008 57.268 55.300 -0.066 0.000 1.124 189 M CB -0.219 32.322 32.600 -0.098 0.000 1.353 189 M HN 0.234 nan 8.290 nan 0.000 0.410 190 I N -0.429 120.186 120.570 0.075 0.000 2.163 190 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 190 I C 2.192 178.355 176.117 0.077 0.000 1.085 190 I CA 1.719 63.090 61.300 0.119 0.000 1.347 190 I CB -0.864 37.237 38.000 0.169 0.000 1.044 190 I HN 0.326 nan 8.210 nan 0.000 0.408 191 T N 0.618 115.179 114.554 0.011 0.000 2.720 191 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 191 T C 1.993 176.705 174.700 0.020 0.000 1.037 191 T CA 1.553 63.648 62.100 -0.009 0.000 1.144 191 T CB -0.304 68.508 68.868 -0.094 0.000 0.864 191 T HN 0.504 nan 8.240 nan 0.000 0.444 192 A N 0.581 123.404 122.820 0.005 0.000 1.969 192 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 192 A C 2.529 180.174 177.584 0.102 0.000 1.169 192 A CA 1.014 53.087 52.037 0.060 0.000 0.635 192 A CB -0.698 18.348 19.000 0.078 0.000 0.810 192 A HN 0.373 nan 8.150 nan 0.000 0.445 193 V N 0.342 120.318 119.914 0.104 0.000 2.379 193 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 193 V C 2.512 178.718 176.094 0.187 0.000 1.044 193 V CA 1.592 63.968 62.300 0.126 0.000 1.036 193 V CB -0.701 31.195 31.823 0.122 0.000 0.664 193 V HN 0.563 nan 8.190 nan 0.000 0.453 194 L N -0.632 120.721 121.223 0.218 0.000 2.042 194 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 194 L C 2.448 179.471 176.870 0.254 0.000 1.076 194 L CA 1.639 56.663 54.840 0.307 0.000 0.749 194 L CB -0.722 41.423 42.059 0.145 0.000 0.893 194 L HN 0.316 nan 8.230 nan 0.000 0.432 195 L N -0.582 120.743 121.223 0.170 0.000 2.046 195 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 195 L C 2.576 179.560 176.870 0.189 0.000 1.077 195 L CA 0.820 55.766 54.840 0.177 0.000 0.747 195 L CB -0.405 41.741 42.059 0.146 0.000 0.896 195 L HN 0.209 nan 8.230 nan 0.000 0.432 196 L N -0.655 120.668 121.223 0.166 0.000 2.127 196 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 196 L C 2.102 179.058 176.870 0.143 0.000 1.089 196 L CA 1.755 56.676 54.840 0.136 0.000 0.757 196 L CB -0.120 42.005 42.059 0.110 0.000 0.899 196 L HN 0.160 nan 8.230 nan 0.000 0.434 197 L N -2.022 119.317 121.223 0.192 0.000 2.357 197 L HA 0.040 4.380 4.340 -0.000 0.000 0.211 197 L C 2.375 179.442 176.870 0.329 0.000 1.075 197 L CA 0.837 55.787 54.840 0.183 0.000 0.830 197 L CB -0.254 41.822 42.059 0.028 0.000 0.996 197 L HN 0.377 nan 8.230 nan 0.000 0.467 198 S N -0.539 115.399 115.700 0.396 0.000 2.427 198 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 198 S C 1.883 176.689 174.600 0.344 0.000 1.047 198 S CA 0.119 58.558 58.200 0.399 0.000 0.953 198 S CB -0.403 62.950 63.200 0.254 0.000 0.824 198 S HN 0.230 nan 8.310 nan 0.000 0.502 199 L N 1.788 123.170 121.223 0.265 0.000 2.083 199 L HA 0.046 4.386 4.340 -0.000 0.000 0.209 199 L C -0.868 176.009 176.870 0.010 0.000 1.083 199 L CA 1.029 55.916 54.840 0.078 0.000 0.752 199 L CB -1.165 40.945 42.059 0.085 0.000 0.899 199 L HN 0.277 nan 8.230 nan 0.000 0.433 200 P HA -0.108 nan 4.420 nan 0.000 0.220 200 P C 1.824 179.134 177.300 0.017 0.000 1.148 200 P CA 0.995 64.117 63.100 0.037 0.000 0.803 200 P CB 0.093 31.824 31.700 0.051 0.000 0.782 201 V N -0.436 119.512 119.914 0.057 0.000 2.427 201 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 201 V C 2.362 178.423 176.094 -0.055 0.000 1.051 201 V CA 1.293 63.608 62.300 0.024 0.000 1.048 201 V CB -1.209 30.703 31.823 0.148 0.000 0.666 201 V HN 0.057 nan 8.190 nan 0.000 0.456 202 L N 1.306 122.457 121.223 -0.121 0.000 1.989 202 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 202 L C 2.531 179.266 176.870 -0.226 0.000 1.071 202 L CA 2.502 57.143 54.840 -0.332 0.000 0.749 202 L CB -1.093 40.465 42.059 -0.835 0.000 0.890 202 L HN 0.214 nan 8.230 nan 0.000 0.431 203 A N -0.372 122.359 122.820 -0.148 0.000 1.917 203 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 203 A C 2.466 180.063 177.584 0.021 0.000 1.182 203 A CA 2.422 54.452 52.037 -0.011 0.000 0.633 203 A CB -1.383 17.664 19.000 0.078 0.000 0.819 203 A HN 0.660 nan 8.150 nan 0.000 0.448 204 A N -0.760 122.045 122.820 -0.025 0.000 1.908 204 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 204 A C 2.426 179.981 177.584 -0.048 0.000 1.181 204 A CA 2.083 54.092 52.037 -0.046 0.000 0.627 204 A CB -1.363 17.592 19.000 -0.075 0.000 0.818 204 A HN 0.771 nan 8.150 nan 0.000 0.445 205 G N 0.530 109.305 108.800 -0.042 0.000 2.394 205 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 205 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 205 G C 1.518 176.515 174.900 0.161 0.000 1.165 205 G CA 1.073 46.197 45.100 0.041 0.000 0.784 205 G HN 0.829 nan 8.290 nan 0.000 0.535 206 I N -1.513 119.086 120.570 0.048 0.000 2.676 206 I HA 0.026 4.196 4.170 -0.000 0.000 0.259 206 I C 2.210 178.329 176.117 0.004 0.000 1.194 206 I CA 1.421 62.741 61.300 0.033 0.000 1.473 206 I CB -0.565 37.336 38.000 -0.166 0.000 1.096 206 I HN -0.077 nan 8.210 nan 0.000 0.443 207 T N 1.468 116.055 114.554 0.055 0.000 2.857 207 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 207 T C 1.904 176.633 174.700 0.047 0.000 1.048 207 T CA 1.608 63.770 62.100 0.103 0.000 1.139 207 T CB -0.172 68.768 68.868 0.119 0.000 0.874 207 T HN 0.321 nan 8.240 nan 0.000 0.455 208 M N 0.394 119.985 119.600 -0.015 0.000 2.159 208 M HA -0.010 4.470 4.480 -0.000 0.000 0.263 208 M C 2.172 178.598 176.300 0.210 0.000 1.063 208 M CA 1.129 56.346 55.300 -0.138 0.000 1.110 208 M CB -0.365 31.862 32.600 -0.622 0.000 1.374 208 M HN 0.162 nan 8.290 nan 0.000 0.411 209 L N 0.341 121.791 121.223 0.379 0.000 2.093 209 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 209 L C 2.106 179.050 176.870 0.124 0.000 1.085 209 L CA 1.561 56.590 54.840 0.317 0.000 0.755 209 L CB -0.583 41.567 42.059 0.152 0.000 0.904 209 L HN 0.237 nan 8.230 nan 0.000 0.435 210 L N -0.971 120.282 121.223 0.050 0.000 2.093 210 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 210 L C 2.491 179.389 176.870 0.047 0.000 1.085 210 L CA 2.180 57.008 54.840 -0.020 0.000 0.755 210 L CB -0.751 41.256 42.059 -0.087 0.000 0.904 210 L HN 0.568 nan 8.230 nan 0.000 0.435 211 T N -4.689 109.924 114.554 0.098 0.000 2.942 211 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 211 T C 1.586 176.351 174.700 0.109 0.000 1.062 211 T CA 1.043 63.214 62.100 0.119 0.000 1.139 211 T CB -0.586 68.388 68.868 0.176 0.000 0.883 211 T HN 0.259 nan 8.240 nan 0.000 0.468 212 D N 1.523 122.006 120.400 0.137 0.000 2.149 212 D HA -0.035 4.605 4.640 -0.000 0.000 0.198 212 D C 2.388 178.727 176.300 0.066 0.000 0.990 212 D CA 0.985 55.039 54.000 0.090 0.000 0.839 212 D CB -0.206 40.675 40.800 0.135 0.000 0.948 212 D HN 0.460 nan 8.370 nan 0.000 0.460 213 R N -0.363 120.177 120.500 0.066 0.000 2.193 213 R HA 0.144 4.484 4.340 -0.000 0.000 0.213 213 R C 0.991 177.316 176.300 0.042 0.000 1.055 213 R CA 0.697 56.825 56.100 0.046 0.000 0.995 213 R CB 0.221 30.538 30.300 0.027 0.000 0.893 213 R HN 0.191 nan 8.270 nan 0.000 0.459 214 N N -1.093 117.635 118.700 0.047 0.000 2.075 214 N HA 0.106 4.846 4.740 -0.000 0.000 0.226 214 N C 0.614 176.151 175.510 0.046 0.000 1.343 214 N CA 0.192 53.272 53.050 0.050 0.000 0.881 214 N CB 1.169 39.694 38.487 0.064 0.000 1.100 214 N HN 0.081 nan 8.380 nan 0.000 0.495 215 L N 0.661 121.911 121.223 0.044 0.000 3.016 215 L HA 0.297 4.637 4.340 -0.000 0.000 0.267 215 L C -0.159 176.717 176.870 0.010 0.000 1.182 215 L CA 0.010 54.870 54.840 0.033 0.000 0.997 215 L CB 0.124 42.211 42.059 0.046 0.000 1.354 215 L HN -0.059 nan 8.230 nan 0.000 0.569 216 N N 0.703 119.405 118.700 0.004 0.000 2.776 216 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 216 N C 0.494 175.967 175.510 -0.061 0.000 1.112 216 N CA 1.283 54.321 53.050 -0.020 0.000 0.733 216 N CB -1.366 37.111 38.487 -0.017 0.000 1.097 216 N HN 0.539 nan 8.380 nan 0.000 0.558 217 T N -2.431 112.080 114.554 -0.071 0.000 2.754 217 T HA 0.506 4.856 4.350 -0.000 0.000 0.286 217 T C 1.167 175.736 174.700 -0.219 0.000 0.997 217 T CA 0.379 62.356 62.100 -0.204 0.000 0.982 217 T CB 1.510 70.243 68.868 -0.224 0.000 1.027 217 T HN 0.249 nan 8.240 nan 0.000 0.529 218 T N -1.755 112.563 114.554 -0.393 0.000 3.748 218 T HA 0.309 4.659 4.350 -0.000 0.000 0.281 218 T C 0.638 175.136 174.700 -0.337 0.000 0.977 218 T CA -0.641 61.305 62.100 -0.257 0.000 1.056 218 T CB -0.914 67.855 68.868 -0.164 0.000 1.138 218 T HN 0.459 nan 8.240 nan 0.000 0.498 219 F N 0.863 120.594 119.950 -0.364 0.000 2.154 219 F HA 0.052 4.579 4.527 -0.000 0.000 0.301 219 F C 1.293 176.777 175.800 -0.527 0.000 1.087 219 F CA 1.323 58.944 58.000 -0.633 0.000 1.274 219 F CB -0.409 37.848 39.000 -1.239 0.000 1.009 219 F HN 0.349 nan 8.300 nan 0.000 0.485 220 F N -1.639 118.427 119.950 0.193 0.000 2.688 220 F HA 0.223 4.750 4.527 -0.000 0.000 0.310 220 F C 0.101 175.939 175.800 0.065 0.000 1.098 220 F CA -0.871 57.205 58.000 0.126 0.000 1.228 220 F CB -0.151 38.914 39.000 0.108 0.000 1.042 220 F HN -0.258 nan 8.300 nan 0.000 0.557 221 D N 1.900 122.374 120.400 0.124 0.000 2.414 221 D HA 0.267 4.907 4.640 -0.000 0.000 0.232 221 D C -2.015 174.313 176.300 0.047 0.000 1.070 221 D CA -2.587 51.460 54.000 0.078 0.000 0.839 221 D CB 2.164 42.986 40.800 0.036 0.000 1.079 221 D HN -0.138 nan 8.370 nan 0.000 0.521 222 P HA -0.093 nan 4.420 nan 0.000 0.221 222 P C 0.975 178.288 177.300 0.021 0.000 1.145 222 P CA 0.801 63.927 63.100 0.043 0.000 0.795 222 P CB 0.186 31.915 31.700 0.048 0.000 0.775 223 A N -0.168 122.662 122.820 0.016 0.000 2.067 223 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 223 A C 2.204 179.781 177.584 -0.011 0.000 1.158 223 A CA 1.637 53.676 52.037 0.005 0.000 0.661 223 A CB -1.396 17.607 19.000 0.005 0.000 0.801 223 A HN 0.320 nan 8.150 nan 0.000 0.452 224 G N -2.425 106.359 108.800 -0.026 0.000 3.337 224 G HA2 0.410 4.370 3.960 -0.000 0.000 0.246 224 G HA3 0.410 4.370 3.960 -0.000 0.000 0.246 224 G C 0.959 175.828 174.900 -0.051 0.000 1.131 224 G CA 0.409 45.478 45.100 -0.051 0.000 0.773 224 G HN 1.531 nan 8.290 nan 0.000 0.544 225 G N -1.152 107.635 108.800 -0.022 0.000 2.141 225 G HA2 0.003 3.963 3.960 -0.000 0.000 0.231 225 G HA3 0.003 3.963 3.960 -0.000 0.000 0.231 225 G C 0.744 175.644 174.900 -0.000 0.000 0.984 225 G CA 0.157 45.251 45.100 -0.010 0.000 0.660 225 G HN 0.969 nan 8.290 nan 0.000 0.525 226 G N -0.959 107.841 108.800 -0.001 0.000 2.525 226 G HA2 0.544 4.504 3.960 -0.000 0.000 0.287 226 G HA3 0.544 4.504 3.960 -0.000 0.000 0.287 226 G C -0.884 174.083 174.900 0.111 0.000 1.350 226 G CA 0.468 45.590 45.100 0.037 0.000 1.039 226 G HN 0.469 nan 8.290 nan 0.000 0.513 227 D N -1.509 119.014 120.400 0.205 0.000 2.764 227 D HA 0.327 4.967 4.640 -0.000 0.000 0.227 227 D C -2.005 174.469 176.300 0.290 0.000 1.347 227 D CA -1.561 52.566 54.000 0.211 0.000 0.953 227 D CB 2.140 43.058 40.800 0.196 0.000 1.476 227 D HN -0.059 nan 8.370 nan 0.000 0.585 228 P HA -0.099 nan 4.420 nan 0.000 0.218 228 P C 1.584 178.888 177.300 0.007 0.000 1.146 228 P CA 0.533 63.695 63.100 0.103 0.000 0.813 228 P CB 0.333 32.049 31.700 0.026 0.000 0.778 229 I N -1.398 119.195 120.570 0.038 0.000 2.439 229 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 229 I C 2.195 178.350 176.117 0.064 0.000 1.139 229 I CA 0.718 62.003 61.300 -0.025 0.000 1.438 229 I CB -1.728 36.283 38.000 0.018 0.000 1.085 229 I HN -0.016 nan 8.210 nan 0.000 0.427 230 L N 0.891 122.257 121.223 0.237 0.000 1.990 230 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 230 L C 2.655 179.634 176.870 0.181 0.000 1.072 230 L CA 1.969 57.011 54.840 0.337 0.000 0.755 230 L CB -1.253 41.081 42.059 0.458 0.000 0.889 230 L HN 0.273 nan 8.230 nan 0.000 0.432 231 Y N 0.321 120.486 120.300 -0.225 0.000 2.069 231 Y HA -0.390 4.160 4.550 -0.000 0.000 0.278 231 Y C 2.615 178.328 175.900 -0.313 0.000 1.175 231 Y CA 2.514 60.186 58.100 -0.714 0.000 1.134 231 Y CB -0.391 37.288 38.460 -1.301 0.000 0.965 231 Y HN 0.426 nan 8.280 nan 0.000 0.498 232 Q N -1.081 118.570 119.800 -0.248 0.000 2.077 232 Q HA -0.287 4.053 4.340 -0.000 0.000 0.206 232 Q C 2.106 178.108 176.000 0.003 0.000 0.989 232 Q CA 1.775 57.453 55.803 -0.208 0.000 0.853 232 Q CB -0.498 28.063 28.738 -0.296 0.000 0.907 232 Q HN 0.646 nan 8.270 nan 0.000 0.418 233 H N 0.406 119.547 119.070 0.118 0.000 2.353 233 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 233 H C 2.232 177.542 175.328 -0.030 0.000 1.090 233 H CA 1.149 57.329 56.048 0.220 0.000 1.327 233 H CB -0.172 29.730 29.762 0.234 0.000 1.383 233 H HN 0.214 nan 8.280 nan 0.000 0.508 234 L N -0.565 120.641 121.223 -0.028 0.000 2.027 234 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 234 L C 2.527 179.276 176.870 -0.202 0.000 1.074 234 L CA 0.969 55.724 54.840 -0.142 0.000 0.745 234 L CB -0.524 41.426 42.059 -0.182 0.000 0.898 234 L HN 0.103 nan 8.230 nan 0.000 0.433 235 F N -0.263 119.350 119.950 -0.561 0.000 2.095 235 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 235 F C 2.017 177.592 175.800 -0.374 0.000 1.104 235 F CA 1.714 59.341 58.000 -0.621 0.000 1.232 235 F CB -0.407 38.001 39.000 -0.987 0.000 0.987 235 F HN -0.006 nan 8.300 nan 0.000 0.475 236 W N -1.485 119.848 121.300 0.055 0.000 2.584 236 W HA -0.061 4.599 4.660 -0.000 0.000 0.264 236 W C 2.197 178.672 176.519 -0.074 0.000 1.264 236 W CA 0.313 57.669 57.345 0.018 0.000 1.306 236 W CB -0.485 29.127 29.460 0.252 0.000 1.110 236 W HN 0.070 nan 8.180 nan 0.000 0.606 237 F N -0.106 119.747 119.950 -0.163 0.000 2.216 237 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 237 F C 2.118 177.826 175.800 -0.153 0.000 1.085 237 F CA 1.618 59.410 58.000 -0.347 0.000 1.326 237 F CB -0.425 38.217 39.000 -0.595 0.000 1.027 237 F HN -0.032 nan 8.300 nan 0.000 0.497 238 F N 0.147 119.954 119.950 -0.239 0.000 2.262 238 F HA 0.221 4.748 4.527 -0.000 0.000 0.292 238 F C 2.204 177.777 175.800 -0.380 0.000 1.081 238 F CA 1.407 59.214 58.000 -0.321 0.000 1.355 238 F CB -1.131 37.648 39.000 -0.367 0.000 1.069 238 F HN -0.131 nan 8.300 nan 0.000 0.506 239 G N -0.869 107.391 108.800 -0.900 0.000 2.408 239 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 239 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 239 G C 1.414 176.147 174.900 -0.278 0.000 1.150 239 G CA 1.122 45.723 45.100 -0.830 0.000 0.776 239 G HN 0.538 nan 8.290 nan 0.000 0.542 240 H N 1.780 120.839 119.070 -0.019 0.000 2.276 240 H HA 0.001 4.557 4.556 -0.000 0.000 0.301 240 H C 0.188 175.457 175.328 -0.100 0.000 1.073 240 H CA 1.701 57.795 56.048 0.076 0.000 1.311 240 H CB -0.684 29.208 29.762 0.217 0.000 1.379 240 H HN 0.233 nan 8.280 nan 0.000 0.494 241 P HA -0.192 nan 4.420 nan 0.000 0.217 241 P C 1.261 178.300 177.300 -0.436 0.000 1.151 241 P CA 2.079 64.879 63.100 -0.501 0.000 0.849 241 P CB -0.014 31.163 31.700 -0.872 0.000 0.787 242 E N 0.013 119.821 120.200 -0.653 0.000 2.114 242 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 242 E C 1.684 178.015 176.600 -0.448 0.000 1.008 242 E CA 1.840 57.886 56.400 -0.590 0.000 0.810 242 E CB -1.212 27.919 29.700 -0.948 0.000 0.739 242 E HN 0.163 nan 8.360 nan 0.000 0.456 243 V N -1.443 118.153 119.914 -0.530 0.000 2.548 243 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 243 V C 1.940 177.652 176.094 -0.636 0.000 1.055 243 V CA 1.648 63.605 62.300 -0.572 0.000 1.065 243 V CB -1.204 30.248 31.823 -0.618 0.000 0.681 243 V HN 0.215 nan 8.190 nan 0.000 0.462 244 Y N 0.671 120.774 120.300 -0.328 0.000 2.224 244 Y HA 0.007 4.557 4.550 -0.000 0.000 0.289 244 Y C 2.395 178.167 175.900 -0.214 0.000 1.146 244 Y CA 1.790 59.757 58.100 -0.222 0.000 1.182 244 Y CB -0.689 37.683 38.460 -0.146 0.000 0.983 244 Y HN 0.183 nan 8.280 nan 0.000 0.524 245 I N -0.492 120.004 120.570 -0.124 0.000 2.286 245 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 245 I C 1.977 177.995 176.117 -0.165 0.000 1.115 245 I CA 1.308 62.538 61.300 -0.117 0.000 1.392 245 I CB -0.314 37.616 38.000 -0.118 0.000 1.065 245 I HN 0.218 nan 8.210 nan 0.000 0.418 246 L N -0.643 120.440 121.223 -0.233 0.000 2.240 246 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 246 L C 2.253 178.994 176.870 -0.215 0.000 1.106 246 L CA 0.776 55.481 54.840 -0.225 0.000 0.793 246 L CB -0.110 41.779 42.059 -0.284 0.000 0.927 246 L HN 0.237 nan 8.230 nan 0.000 0.446 247 I N -1.077 119.318 120.570 -0.292 0.000 3.081 247 I HA -0.067 4.103 4.170 -0.000 0.000 0.274 247 I C 2.017 177.781 176.117 -0.588 0.000 1.178 247 I CA 0.899 61.940 61.300 -0.431 0.000 1.460 247 I CB 0.189 37.857 38.000 -0.554 0.000 1.137 247 I HN 0.015 nan 8.210 nan 0.000 0.443 248 L N 1.181 122.163 121.223 -0.401 0.000 2.017 248 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 248 L C -0.457 176.392 176.870 -0.035 0.000 1.073 248 L CA 1.576 56.290 54.840 -0.210 0.000 0.745 248 L CB -1.707 40.338 42.059 -0.023 0.000 0.894 248 L HN 0.196 nan 8.230 nan 0.000 0.432 249 P HA -0.105 nan 4.420 nan 0.000 0.218 249 P C 1.529 178.921 177.300 0.153 0.000 1.149 249 P CA 1.513 64.641 63.100 0.047 0.000 0.817 249 P CB -0.177 31.530 31.700 0.012 0.000 0.785 250 G N -0.960 107.843 108.800 0.005 0.000 2.446 250 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 250 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 250 G C 1.461 176.342 174.900 -0.031 0.000 1.168 250 G CA 0.326 45.390 45.100 -0.060 0.000 0.771 250 G HN 0.228 nan 8.290 nan 0.000 0.551 251 F N 1.231 121.171 119.950 -0.016 0.000 2.126 251 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 251 F C 2.983 178.925 175.800 0.237 0.000 1.096 251 F CA 0.357 58.442 58.000 0.142 0.000 1.255 251 F CB -0.084 39.100 39.000 0.306 0.000 0.997 251 F HN 0.279 nan 8.300 nan 0.000 0.479 252 G N -0.156 108.917 108.800 0.454 0.000 2.408 252 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 252 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 252 G C 1.587 176.764 174.900 0.461 0.000 1.150 252 G CA 0.437 45.847 45.100 0.517 0.000 0.776 252 G HN 0.212 nan 8.290 nan 0.000 0.542 253 M N 0.220 119.978 119.600 0.263 0.000 2.175 253 M HA 0.060 4.540 4.480 -0.000 0.000 0.264 253 M C 2.398 178.704 176.300 0.010 0.000 1.063 253 M CA 0.809 56.153 55.300 0.073 0.000 1.119 253 M CB -0.241 32.291 32.600 -0.114 0.000 1.377 253 M HN 0.105 nan 8.290 nan 0.000 0.415 254 I N -0.115 120.345 120.570 -0.183 0.000 2.226 254 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 254 I C 2.406 178.347 176.117 -0.293 0.000 1.100 254 I CA 1.384 62.383 61.300 -0.502 0.000 1.374 254 I CB -1.235 36.031 38.000 -1.222 0.000 1.057 254 I HN 0.232 nan 8.210 nan 0.000 0.413 255 S N -0.337 115.426 115.700 0.105 0.000 2.359 255 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 255 S C 1.883 176.658 174.600 0.290 0.000 1.035 255 S CA 1.150 59.579 58.200 0.383 0.000 1.018 255 S CB -0.504 63.064 63.200 0.613 0.000 0.876 255 S HN 0.508 nan 8.310 nan 0.000 0.448 256 H N -0.008 119.176 119.070 0.191 0.000 2.423 256 H HA 0.077 4.633 4.556 -0.000 0.000 0.297 256 H C 2.042 177.365 175.328 -0.010 0.000 1.075 256 H CA 1.160 57.316 56.048 0.180 0.000 1.342 256 H CB -0.062 29.895 29.762 0.325 0.000 1.395 256 H HN 0.344 nan 8.280 nan 0.000 0.530 257 I N -0.014 120.547 120.570 -0.016 0.000 2.277 257 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 257 I C 2.451 178.562 176.117 -0.010 0.000 1.094 257 I CA 0.461 61.639 61.300 -0.203 0.000 1.393 257 I CB -0.016 37.843 38.000 -0.236 0.000 1.078 257 I HN -0.015 nan 8.210 nan 0.000 0.417 258 V N 0.614 120.508 119.914 -0.033 0.000 2.332 258 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 258 V C 2.493 178.622 176.094 0.059 0.000 1.055 258 V CA 2.489 64.795 62.300 0.009 0.000 1.038 258 V CB -0.967 30.839 31.823 -0.029 0.000 0.651 258 V HN 0.482 nan 8.190 nan 0.000 0.450 259 T N -1.197 113.406 114.554 0.083 0.000 2.708 259 T HA -0.249 4.101 4.350 -0.000 0.000 0.266 259 T C 1.726 176.422 174.700 -0.007 0.000 1.037 259 T CA 2.150 64.289 62.100 0.065 0.000 1.146 259 T CB -0.391 68.522 68.868 0.076 0.000 0.865 259 T HN 0.560 nan 8.240 nan 0.000 0.435 260 Y N 0.524 120.723 120.300 -0.169 0.000 2.097 260 Y HA -0.206 4.344 4.550 -0.000 0.000 0.282 260 Y C 1.814 177.465 175.900 -0.415 0.000 1.152 260 Y CA 1.428 59.320 58.100 -0.346 0.000 1.136 260 Y CB -0.262 37.853 38.460 -0.576 0.000 0.975 260 Y HN 0.240 nan 8.280 nan 0.000 0.498 261 Y N -1.266 119.049 120.300 0.026 0.000 2.490 261 Y HA 0.049 4.599 4.550 -0.000 0.000 0.281 261 Y C 2.235 178.044 175.900 -0.152 0.000 1.174 261 Y CA 0.698 58.761 58.100 -0.062 0.000 1.295 261 Y CB -0.070 38.341 38.460 -0.082 0.000 1.062 261 Y HN 0.011 nan 8.280 nan 0.000 0.522 262 S N -0.938 114.740 115.700 -0.036 0.000 2.558 262 S HA 0.154 4.624 4.470 -0.000 0.000 0.217 262 S C 1.766 176.308 174.600 -0.098 0.000 0.975 262 S CA 0.695 58.856 58.200 -0.065 0.000 0.912 262 S CB -0.288 62.899 63.200 -0.021 0.000 0.776 262 S HN 0.668 nan 8.310 nan 0.000 0.526 263 G N 1.999 110.699 108.800 -0.167 0.000 2.176 263 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 263 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 263 G C -0.132 174.677 174.900 -0.151 0.000 1.024 263 G CA 0.059 45.038 45.100 -0.202 0.000 0.755 263 G HN 0.299 nan 8.290 nan 0.000 0.507 264 K N -0.193 120.136 120.400 -0.117 0.000 2.139 264 K HA 0.443 4.763 4.320 -0.000 0.000 0.243 264 K C 1.394 177.957 176.600 -0.062 0.000 0.983 264 K CA -0.301 55.952 56.287 -0.057 0.000 0.890 264 K CB 1.346 33.850 32.500 0.007 0.000 1.090 264 K HN 0.398 nan 8.250 nan 0.000 0.445 265 K N -0.047 120.337 120.400 -0.028 0.000 2.361 265 K HA -0.004 4.316 4.320 -0.000 0.000 0.196 265 K C 0.022 176.631 176.600 0.015 0.000 1.039 265 K CA 0.687 56.965 56.287 -0.016 0.000 1.001 265 K CB 0.370 32.864 32.500 -0.010 0.000 0.795 265 K HN 0.674 nan 8.250 nan 0.000 0.495 266 E N 0.625 120.846 120.200 0.034 0.000 2.388 266 E HA 0.316 4.666 4.350 -0.000 0.000 0.280 266 E C -3.085 173.584 176.600 0.114 0.000 1.019 266 E CA -2.224 54.215 56.400 0.065 0.000 0.806 266 E CB 1.610 31.338 29.700 0.047 0.000 1.246 266 E HN -0.156 nan 8.360 nan 0.000 0.443 267 P HA 0.107 nan 4.420 nan 0.000 0.274 267 P C -0.550 176.897 177.300 0.245 0.000 1.231 267 P CA -0.397 62.839 63.100 0.227 0.000 0.790 267 P CB 0.484 32.339 31.700 0.260 0.000 0.951 268 F N 1.533 121.560 119.950 0.128 0.000 2.529 268 F HA 0.342 4.869 4.527 -0.000 0.000 0.365 268 F C 1.364 177.214 175.800 0.084 0.000 1.102 268 F CA 1.394 59.454 58.000 0.100 0.000 1.271 268 F CB -0.177 38.880 39.000 0.095 0.000 1.120 268 F HN 0.707 nan 8.300 nan 0.000 0.579 269 G N 5.770 114.238 108.800 -0.554 0.000 2.351 269 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.297 269 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.297 269 G C 0.299 175.165 174.900 -0.057 0.000 1.054 269 G CA 0.551 45.436 45.100 -0.358 0.000 1.123 269 G HN 1.045 nan 8.290 nan 0.000 0.512 270 Y N 0.361 120.595 120.300 -0.111 0.000 2.128 270 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 270 Y C 2.603 178.464 175.900 -0.065 0.000 1.154 270 Y CA 2.571 60.650 58.100 -0.035 0.000 1.149 270 Y CB -0.041 38.419 38.460 -0.001 0.000 0.976 270 Y HN 0.402 nan 8.280 nan 0.000 0.505 271 M N -0.333 119.291 119.600 0.039 0.000 2.319 271 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 271 M C 2.342 178.559 176.300 -0.138 0.000 1.068 271 M CA 1.257 56.495 55.300 -0.104 0.000 1.118 271 M CB -1.682 30.891 32.600 -0.046 0.000 1.395 271 M HN 0.484 nan 8.290 nan 0.000 0.435 272 G N -0.182 108.560 108.800 -0.097 0.000 2.421 272 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 272 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 272 G C 1.531 176.455 174.900 0.041 0.000 1.143 272 G CA 0.314 45.407 45.100 -0.012 0.000 0.784 272 G HN 0.260 nan 8.290 nan 0.000 0.541 273 M N 0.510 120.050 119.600 -0.100 0.000 2.175 273 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 273 M C 2.703 178.867 176.300 -0.227 0.000 1.063 273 M CA 0.695 55.905 55.300 -0.149 0.000 1.119 273 M CB -0.908 31.601 32.600 -0.152 0.000 1.377 273 M HN 0.106 nan 8.290 nan 0.000 0.415 274 V N -0.965 118.692 119.914 -0.428 0.000 2.307 274 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 274 V C 2.083 177.989 176.094 -0.313 0.000 1.045 274 V CA 1.869 63.782 62.300 -0.645 0.000 1.024 274 V CB -0.844 30.328 31.823 -1.085 0.000 0.651 274 V HN 0.628 nan 8.190 nan 0.000 0.449 275 W N 1.111 122.211 121.300 -0.332 0.000 2.338 275 W HA -0.226 4.434 4.660 -0.000 0.000 0.304 275 W C 2.379 178.822 176.519 -0.127 0.000 1.212 275 W CA 2.186 59.413 57.345 -0.197 0.000 1.264 275 W CB -0.293 29.073 29.460 -0.157 0.000 1.142 275 W HN 0.196 nan 8.180 nan 0.000 0.512 276 A N 0.197 122.984 122.820 -0.055 0.000 1.898 276 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 276 A C 2.037 179.465 177.584 -0.260 0.000 1.181 276 A CA 1.976 53.840 52.037 -0.288 0.000 0.620 276 A CB -0.835 18.130 19.000 -0.059 0.000 0.819 276 A HN 0.414 nan 8.150 nan 0.000 0.442 277 M N -1.003 118.517 119.600 -0.133 0.000 2.132 277 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 277 M C 2.376 178.644 176.300 -0.054 0.000 1.065 277 M CA 1.397 56.692 55.300 -0.009 0.000 1.122 277 M CB -0.429 32.212 32.600 0.068 0.000 1.365 277 M HN 0.422 nan 8.290 nan 0.000 0.411 278 M N -0.727 118.795 119.600 -0.130 0.000 2.080 278 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 278 M C 2.276 178.495 176.300 -0.135 0.000 1.068 278 M CA 1.577 56.821 55.300 -0.092 0.000 1.109 278 M CB -0.968 31.570 32.600 -0.103 0.000 1.342 278 M HN 0.210 nan 8.290 nan 0.000 0.405 279 S N 1.024 116.491 115.700 -0.389 0.000 2.356 279 S HA -0.079 4.391 4.470 -0.000 0.000 0.223 279 S C 1.884 176.387 174.600 -0.160 0.000 1.032 279 S CA 1.218 59.186 58.200 -0.387 0.000 1.005 279 S CB -0.404 62.257 63.200 -0.899 0.000 0.867 279 S HN 0.370 nan 8.310 nan 0.000 0.449 280 I N 1.258 121.719 120.570 -0.183 0.000 2.361 280 I HA -0.143 4.027 4.170 -0.000 0.000 0.251 280 I C 2.510 178.526 176.117 -0.169 0.000 1.133 280 I CA 1.126 62.336 61.300 -0.150 0.000 1.413 280 I CB -0.560 37.432 38.000 -0.014 0.000 1.073 280 I HN 0.368 nan 8.210 nan 0.000 0.424 281 G N 0.133 108.915 108.800 -0.028 0.000 2.408 281 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 281 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 281 G C 1.526 176.532 174.900 0.176 0.000 1.156 281 G CA 0.079 45.207 45.100 0.047 0.000 0.793 281 G HN 0.324 nan 8.290 nan 0.000 0.535 282 F N 1.401 121.374 119.950 0.038 0.000 2.075 282 F HA 0.039 4.566 4.527 -0.000 0.000 0.297 282 F C 2.401 178.267 175.800 0.110 0.000 1.113 282 F CA 1.219 59.282 58.000 0.106 0.000 1.218 282 F CB -0.280 38.735 39.000 0.025 0.000 0.984 282 F HN 0.018 nan 8.300 nan 0.000 0.472 283 L N 0.282 121.491 121.223 -0.023 0.000 2.079 283 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 283 L C 2.716 179.459 176.870 -0.212 0.000 1.081 283 L CA 1.273 56.019 54.840 -0.158 0.000 0.752 283 L CB -1.598 40.420 42.059 -0.069 0.000 0.896 283 L HN 0.398 nan 8.230 nan 0.000 0.433 284 G N -0.861 107.775 108.800 -0.273 0.000 2.537 284 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 284 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 284 G C 1.226 175.998 174.900 -0.213 0.000 1.111 284 G CA 0.465 45.420 45.100 -0.241 0.000 0.748 284 G HN 0.298 nan 8.290 nan 0.000 0.564 285 F N -0.037 119.814 119.950 -0.165 0.000 2.746 285 F HA 0.291 4.818 4.527 -0.000 0.000 0.297 285 F C 1.926 177.732 175.800 0.009 0.000 1.113 285 F CA -0.054 57.826 58.000 -0.199 0.000 1.367 285 F CB 0.404 39.252 39.000 -0.253 0.000 1.111 285 F HN 0.206 nan 8.300 nan 0.000 0.590 286 I N -2.111 118.548 120.570 0.149 0.000 3.936 286 I HA 0.228 4.398 4.170 -0.000 0.000 0.330 286 I C 0.487 176.780 176.117 0.294 0.000 1.509 286 I CA 0.040 61.534 61.300 0.323 0.000 1.126 286 I CB 0.129 38.203 38.000 0.123 0.000 1.115 286 I HN -0.104 nan 8.210 nan 0.000 0.424 287 V N -3.268 116.778 119.914 0.221 0.000 3.253 287 V HA 0.237 4.357 4.120 -0.000 0.000 0.320 287 V C 1.492 177.407 176.094 -0.298 0.000 1.442 287 V CA -0.420 61.916 62.300 0.060 0.000 1.097 287 V CB -1.052 30.661 31.823 -0.183 0.000 1.008 287 V HN 0.678 nan 8.190 nan 0.000 0.463 288 W N 1.398 122.648 121.300 -0.082 0.000 2.425 288 W HA 0.257 4.917 4.660 -0.000 0.000 0.277 288 W C 1.883 178.123 176.519 -0.465 0.000 1.231 288 W CA 1.188 58.403 57.345 -0.217 0.000 1.248 288 W CB -0.753 28.775 29.460 0.113 0.000 1.117 288 W HN 0.201 nan 8.180 nan 0.000 0.568 289 A N 2.108 123.936 122.820 -1.655 0.000 2.259 289 A HA -0.207 4.113 4.320 -0.000 0.000 0.212 289 A C 1.780 178.538 177.584 -1.377 0.000 1.178 289 A CA 1.273 52.382 52.037 -1.547 0.000 0.734 289 A CB -1.853 15.832 19.000 -2.192 0.000 0.774 289 A HN 0.786 nan 8.150 nan 0.000 0.481 290 H N -2.901 115.427 119.070 -1.235 0.000 2.567 290 H HA -0.024 4.532 4.556 -0.000 0.000 0.276 290 H C 0.654 175.157 175.328 -1.375 0.000 1.016 290 H CA 0.919 55.946 56.048 -1.702 0.000 1.186 290 H CB -0.346 28.855 29.762 -0.934 0.000 1.351 290 H HN 0.670 nan 8.280 nan 0.000 0.605 291 H N 0.435 119.072 119.070 -0.723 0.000 2.529 291 H HA 0.227 4.783 4.556 -0.000 0.000 0.277 291 H C 0.540 175.545 175.328 -0.538 0.000 1.004 291 H CA 0.196 55.811 56.048 -0.722 0.000 1.167 291 H CB 0.515 29.304 29.762 -1.622 0.000 1.445 291 H HN 0.495 nan 8.280 nan 0.000 0.554 292 M N -0.591 118.699 119.600 -0.517 0.000 2.687 292 M HA 0.112 4.592 4.480 -0.000 0.000 0.413 292 M C 0.145 176.281 176.300 -0.273 0.000 1.216 292 M CA -0.156 54.945 55.300 -0.332 0.000 0.871 292 M CB 0.505 32.933 32.600 -0.287 0.000 1.481 292 M HN -0.080 nan 8.290 nan 0.000 0.521 293 F N 0.991 120.763 119.950 -0.297 0.000 2.451 293 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 293 F C 2.574 178.253 175.800 -0.202 0.000 1.101 293 F CA 1.488 59.354 58.000 -0.223 0.000 1.436 293 F CB -0.726 38.160 39.000 -0.190 0.000 1.074 293 F HN 0.261 nan 8.300 nan 0.000 0.553 294 T N -3.277 111.204 114.554 -0.121 0.000 3.122 294 T HA 0.112 4.462 4.350 -0.000 0.000 0.250 294 T C 1.584 176.271 174.700 -0.021 0.000 1.067 294 T CA 0.682 62.746 62.100 -0.060 0.000 0.966 294 T CB -0.712 68.123 68.868 -0.055 0.000 1.002 294 T HN 0.140 nan 8.240 nan 0.000 0.542 295 V N -1.517 118.378 119.914 -0.032 0.000 3.573 295 V HA 0.558 4.678 4.120 -0.000 0.000 0.270 295 V C 1.366 177.472 176.094 0.021 0.000 1.221 295 V CA 0.301 62.598 62.300 -0.006 0.000 1.163 295 V CB -1.249 30.551 31.823 -0.038 0.000 0.847 295 V HN 0.777 nan 8.190 nan 0.000 0.468 296 G N 0.339 109.157 108.800 0.030 0.000 2.392 296 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 296 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 296 G C -0.440 174.495 174.900 0.059 0.000 1.097 296 G CA 0.125 45.251 45.100 0.044 0.000 0.840 296 G HN 0.502 nan 8.290 nan 0.000 0.492 297 M N 0.229 119.871 119.600 0.070 0.000 2.573 297 M HA 0.414 4.894 4.480 -0.000 0.000 0.309 297 M C 0.157 176.509 176.300 0.086 0.000 1.202 297 M CA -0.950 54.406 55.300 0.094 0.000 0.975 297 M CB 0.667 33.339 32.600 0.119 0.000 1.600 297 M HN 0.091 nan 8.290 nan 0.000 0.479 298 D N 0.935 121.389 120.400 0.091 0.000 2.478 298 D HA -0.060 4.580 4.640 -0.000 0.000 0.234 298 D C 0.839 177.184 176.300 0.075 0.000 1.154 298 D CA 0.092 54.137 54.000 0.074 0.000 0.874 298 D CB 0.873 41.718 40.800 0.074 0.000 1.198 298 D HN 0.365 nan 8.370 nan 0.000 0.455 299 V N 2.056 122.000 119.914 0.049 0.000 2.358 299 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 299 V C 1.280 177.404 176.094 0.050 0.000 1.047 299 V CA 1.818 64.138 62.300 0.034 0.000 1.035 299 V CB -0.145 31.685 31.823 0.011 0.000 0.658 299 V HN 0.424 nan 8.190 nan 0.000 0.452 300 D N -0.365 120.069 120.400 0.056 0.000 2.149 300 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 300 D C 2.230 178.601 176.300 0.119 0.000 0.990 300 D CA 1.936 55.976 54.000 0.067 0.000 0.839 300 D CB -0.434 40.397 40.800 0.051 0.000 0.948 300 D HN 0.464 nan 8.370 nan 0.000 0.460 301 T N 0.472 115.117 114.554 0.151 0.000 2.777 301 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 301 T C 1.980 176.906 174.700 0.377 0.000 1.040 301 T CA 0.793 63.051 62.100 0.264 0.000 1.141 301 T CB 0.063 69.085 68.868 0.255 0.000 0.868 301 T HN 0.154 nan 8.240 nan 0.000 0.444 302 R N 0.851 121.503 120.500 0.253 0.000 2.115 302 R HA 0.111 4.451 4.340 -0.000 0.000 0.230 302 R C 2.765 179.136 176.300 0.117 0.000 1.111 302 R CA 1.084 57.327 56.100 0.240 0.000 0.976 302 R CB -0.344 29.977 30.300 0.036 0.000 0.870 302 R HN 0.325 nan 8.270 nan 0.000 0.445 303 A N 0.723 123.582 122.820 0.065 0.000 1.898 303 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 303 A C 1.964 179.562 177.584 0.023 0.000 1.181 303 A CA 1.186 53.230 52.037 0.012 0.000 0.620 303 A CB -0.757 18.249 19.000 0.010 0.000 0.819 303 A HN 0.453 nan 8.150 nan 0.000 0.442 304 Y N -0.340 119.951 120.300 -0.016 0.000 2.081 304 Y HA -0.289 4.261 4.550 -0.000 0.000 0.280 304 Y C 1.903 177.717 175.900 -0.145 0.000 1.163 304 Y CA 2.207 60.230 58.100 -0.128 0.000 1.135 304 Y CB -0.704 37.607 38.460 -0.248 0.000 0.970 304 Y HN 0.252 nan 8.280 nan 0.000 0.498 305 F N -0.065 119.745 119.950 -0.234 0.000 2.293 305 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 305 F C 2.479 178.229 175.800 -0.084 0.000 1.086 305 F CA 1.779 59.610 58.000 -0.283 0.000 1.375 305 F CB -0.874 38.110 39.000 -0.027 0.000 1.045 305 F HN 0.023 nan 8.300 nan 0.000 0.516 306 T N -1.165 113.479 114.554 0.149 0.000 2.737 306 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 306 T C 2.279 176.945 174.700 -0.056 0.000 1.038 306 T CA 1.810 63.942 62.100 0.053 0.000 1.144 306 T CB -0.337 68.470 68.868 -0.102 0.000 0.866 306 T HN 0.158 nan 8.240 nan 0.000 0.434 307 S N 1.239 116.853 115.700 -0.144 0.000 2.371 307 S HA 0.069 4.539 4.470 -0.000 0.000 0.224 307 S C 2.560 177.048 174.600 -0.187 0.000 1.029 307 S CA 0.845 58.960 58.200 -0.141 0.000 0.978 307 S CB -0.477 62.648 63.200 -0.125 0.000 0.833 307 S HN 0.554 nan 8.310 nan 0.000 0.466 308 A N 1.272 123.858 122.820 -0.390 0.000 1.933 308 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 308 A C 2.264 179.743 177.584 -0.177 0.000 1.175 308 A CA 1.913 53.737 52.037 -0.355 0.000 0.628 308 A CB -1.173 17.388 19.000 -0.731 0.000 0.814 308 A HN 0.462 nan 8.150 nan 0.000 0.444 309 T N -0.064 114.420 114.554 -0.117 0.000 2.867 309 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 309 T C 1.862 176.551 174.700 -0.019 0.000 1.057 309 T CA 1.592 63.685 62.100 -0.010 0.000 1.136 309 T CB -0.264 68.672 68.868 0.113 0.000 0.874 309 T HN 0.457 nan 8.240 nan 0.000 0.466 310 M N 0.252 119.833 119.600 -0.032 0.000 2.254 310 M HA 0.114 4.594 4.480 -0.000 0.000 0.265 310 M C 2.068 178.369 176.300 0.002 0.000 1.066 310 M CA 1.115 56.405 55.300 -0.017 0.000 1.123 310 M CB -0.488 32.097 32.600 -0.025 0.000 1.388 310 M HN 0.200 nan 8.290 nan 0.000 0.425 311 I N 0.767 121.335 120.570 -0.003 0.000 2.248 311 I HA -0.334 3.836 4.170 -0.000 0.000 0.248 311 I C 2.143 178.281 176.117 0.034 0.000 1.107 311 I CA 1.446 62.760 61.300 0.022 0.000 1.373 311 I CB -0.511 37.499 38.000 0.018 0.000 1.055 311 I HN 0.292 nan 8.210 nan 0.000 0.418 312 I N 0.916 121.498 120.570 0.020 0.000 2.502 312 I HA -0.317 3.853 4.170 -0.000 0.000 0.258 312 I C 2.674 178.837 176.117 0.077 0.000 1.172 312 I CA 1.186 62.506 61.300 0.034 0.000 1.430 312 I CB -0.508 37.521 38.000 0.048 0.000 1.086 312 I HN 0.229 nan 8.210 nan 0.000 0.440 313 A N 0.847 123.711 122.820 0.074 0.000 2.015 313 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 313 A C 2.243 179.883 177.584 0.092 0.000 1.163 313 A CA 1.099 53.185 52.037 0.081 0.000 0.646 313 A CB -0.524 18.509 19.000 0.055 0.000 0.806 313 A HN 0.382 nan 8.150 nan 0.000 0.448 314 I N 0.434 121.066 120.570 0.103 0.000 2.110 314 I HA -0.139 4.031 4.170 -0.000 0.000 0.236 314 I C -0.339 175.889 176.117 0.186 0.000 1.068 314 I CA 1.410 62.803 61.300 0.155 0.000 1.333 314 I CB -1.108 37.000 38.000 0.180 0.000 1.054 314 I HN 0.216 nan 8.210 nan 0.000 0.402 315 P HA -0.107 nan 4.420 nan 0.000 0.218 315 P C 1.549 178.856 177.300 0.012 0.000 1.149 315 P CA 1.585 64.707 63.100 0.037 0.000 0.817 315 P CB -0.277 31.219 31.700 -0.341 0.000 0.785 316 T N -0.361 114.211 114.554 0.031 0.000 2.746 316 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 316 T C 2.144 176.793 174.700 -0.086 0.000 1.039 316 T CA 1.789 63.901 62.100 0.021 0.000 1.142 316 T CB -1.129 67.866 68.868 0.212 0.000 0.866 316 T HN 0.198 nan 8.240 nan 0.000 0.444 317 G N 1.079 109.858 108.800 -0.035 0.000 2.408 317 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 317 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 317 G C 1.695 176.533 174.900 -0.102 0.000 1.150 317 G CA 0.661 45.667 45.100 -0.157 0.000 0.776 317 G HN 0.419 nan 8.290 nan 0.000 0.542 318 V N 0.980 120.943 119.914 0.081 0.000 2.282 318 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 318 V C 2.836 178.860 176.094 -0.118 0.000 1.057 318 V CA 2.453 64.819 62.300 0.110 0.000 1.032 318 V CB -0.442 31.513 31.823 0.220 0.000 0.645 318 V HN 0.409 nan 8.190 nan 0.000 0.447 319 K N -0.520 119.658 120.400 -0.370 0.000 2.026 319 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 319 K C 2.087 178.039 176.600 -1.081 0.000 1.048 319 K CA 1.406 57.160 56.287 -0.887 0.000 0.929 319 K CB -0.453 31.282 32.500 -1.274 0.000 0.713 319 K HN 0.340 nan 8.250 nan 0.000 0.439 320 V N 1.072 120.572 119.914 -0.690 0.000 2.295 320 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 320 V C 2.005 177.981 176.094 -0.196 0.000 1.049 320 V CA 1.760 63.861 62.300 -0.331 0.000 1.024 320 V CB -0.531 31.089 31.823 -0.339 0.000 0.648 320 V HN 0.215 nan 8.190 nan 0.000 0.447 321 F N 0.213 120.126 119.950 -0.061 0.000 2.234 321 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 321 F C 2.620 178.357 175.800 -0.104 0.000 1.087 321 F CA 1.181 59.150 58.000 -0.052 0.000 1.340 321 F CB -0.395 38.571 39.000 -0.057 0.000 1.031 321 F HN 0.075 nan 8.300 nan 0.000 0.500 322 S N -0.732 114.984 115.700 0.026 0.000 2.383 322 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 322 S C 1.680 176.346 174.600 0.111 0.000 1.026 322 S CA 0.779 59.016 58.200 0.061 0.000 0.981 322 S CB -0.380 62.879 63.200 0.097 0.000 0.818 322 S HN 0.387 nan 8.310 nan 0.000 0.472 323 W N 2.076 123.438 121.300 0.104 0.000 2.338 323 W HA 0.024 4.684 4.660 -0.000 0.000 0.304 323 W C 1.987 178.553 176.519 0.078 0.000 1.212 323 W CA 0.255 57.656 57.345 0.094 0.000 1.264 323 W CB -1.377 28.137 29.460 0.090 0.000 1.142 323 W HN 0.296 nan 8.180 nan 0.000 0.512 324 L N 0.146 121.545 121.223 0.293 0.000 2.012 324 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 324 L C 2.538 179.461 176.870 0.088 0.000 1.073 324 L CA 1.768 56.719 54.840 0.186 0.000 0.748 324 L CB -1.410 40.764 42.059 0.192 0.000 0.891 324 L HN -0.106 nan 8.230 nan 0.000 0.431 325 A N -1.022 121.773 122.820 -0.041 0.000 2.119 325 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 325 A C 2.245 179.833 177.584 0.006 0.000 1.153 325 A CA 1.555 53.444 52.037 -0.247 0.000 0.692 325 A CB -0.543 17.842 19.000 -1.024 0.000 0.799 325 A HN 0.386 nan 8.150 nan 0.000 0.458 326 T N 0.269 114.915 114.554 0.153 0.000 2.896 326 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 326 T C 1.735 176.522 174.700 0.145 0.000 1.050 326 T CA 0.998 63.229 62.100 0.218 0.000 1.140 326 T CB -0.273 68.760 68.868 0.274 0.000 0.877 326 T HN 0.380 nan 8.240 nan 0.000 0.457 327 L N 0.393 121.693 121.223 0.129 0.000 2.131 327 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 327 L C 1.337 178.253 176.870 0.078 0.000 1.092 327 L CA 0.624 55.506 54.840 0.070 0.000 0.759 327 L CB -0.657 41.440 42.059 0.064 0.000 0.903 327 L HN 0.357 nan 8.230 nan 0.000 0.435 328 H N 0.359 119.431 119.070 0.004 0.000 2.929 328 H HA 0.259 4.815 4.556 -0.000 0.000 0.317 328 H C 1.080 176.410 175.328 0.004 0.000 1.031 328 H CA 0.219 56.262 56.048 -0.009 0.000 1.466 328 H CB 0.532 30.268 29.762 -0.044 0.000 1.482 328 H HN 0.257 nan 8.280 nan 0.000 0.561 329 G N 2.979 111.531 108.800 -0.414 0.000 2.162 329 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 329 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 329 G C 0.664 175.479 174.900 -0.141 0.000 0.976 329 G CA 0.316 45.220 45.100 -0.328 0.000 0.655 329 G HN 1.039 nan 8.290 nan 0.000 0.533 330 G N -0.449 108.298 108.800 -0.089 0.000 2.507 330 G HA2 0.435 4.395 3.960 -0.000 0.000 0.271 330 G HA3 0.435 4.395 3.960 -0.000 0.000 0.271 330 G C 0.047 174.907 174.900 -0.066 0.000 1.189 330 G CA 0.114 45.173 45.100 -0.068 0.000 0.859 330 G HN 0.483 nan 8.290 nan 0.000 0.542 331 N N 1.162 119.824 118.700 -0.063 0.000 2.448 331 N HA 0.034 4.774 4.740 -0.000 0.000 0.250 331 N C 0.210 175.678 175.510 -0.069 0.000 1.136 331 N CA -0.505 52.515 53.050 -0.050 0.000 0.953 331 N CB -0.000 38.458 38.487 -0.049 0.000 1.251 331 N HN 0.116 nan 8.380 nan 0.000 0.502 332 I N 2.051 122.568 120.570 -0.089 0.000 2.452 332 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 332 I C 0.732 176.741 176.117 -0.180 0.000 1.079 332 I CA -0.348 60.828 61.300 -0.208 0.000 1.387 332 I CB 0.194 37.961 38.000 -0.389 0.000 1.404 332 I HN 0.405 nan 8.210 nan 0.000 0.522 333 K N 6.710 127.026 120.400 -0.140 0.000 2.263 333 K HA 0.206 4.526 4.320 -0.000 0.000 0.272 333 K C -0.972 175.555 176.600 -0.123 0.000 1.033 333 K CA -0.207 56.074 56.287 -0.009 0.000 0.884 333 K CB 0.304 32.891 32.500 0.146 0.000 1.107 333 K HN 0.368 nan 8.250 nan 0.000 0.460 334 W N 4.791 126.058 121.300 -0.054 0.000 1.496 334 W HA 0.145 4.805 4.660 -0.000 0.000 0.422 334 W C 0.222 176.628 176.519 -0.188 0.000 0.638 334 W CA -0.505 56.763 57.345 -0.130 0.000 2.105 334 W CB -0.206 29.190 29.460 -0.108 0.000 1.639 334 W HN 0.568 nan 8.180 nan 0.000 0.304 335 S N 0.345 115.951 115.700 -0.157 0.000 2.632 335 S HA 0.300 4.770 4.470 -0.000 0.000 0.267 335 S C -1.215 173.212 174.600 -0.288 0.000 1.276 335 S CA -1.184 56.861 58.200 -0.258 0.000 0.998 335 S CB 1.495 64.330 63.200 -0.608 0.000 0.953 335 S HN 0.046 nan 8.310 nan 0.000 0.547 336 P HA -0.040 nan 4.420 nan 0.000 0.217 336 P C 1.483 178.697 177.300 -0.143 0.000 1.150 336 P CA 1.693 64.697 63.100 -0.159 0.000 0.832 336 P CB -0.392 31.338 31.700 0.049 0.000 0.787 337 A N -0.275 122.444 122.820 -0.168 0.000 1.933 337 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 337 A C 2.287 179.735 177.584 -0.227 0.000 1.175 337 A CA 2.207 54.194 52.037 -0.084 0.000 0.628 337 A CB -1.396 17.515 19.000 -0.147 0.000 0.814 337 A HN 0.101 nan 8.150 nan 0.000 0.444 338 M N -0.290 118.994 119.600 -0.526 0.000 2.117 338 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 338 M C 2.034 178.143 176.300 -0.319 0.000 1.065 338 M CA 1.819 56.881 55.300 -0.397 0.000 1.114 338 M CB -0.703 31.603 32.600 -0.489 0.000 1.361 338 M HN 0.449 nan 8.290 nan 0.000 0.408 339 M N -2.105 117.216 119.600 -0.465 0.000 2.117 339 M HA -0.209 4.271 4.480 -0.000 0.000 0.262 339 M C 1.966 177.803 176.300 -0.770 0.000 1.065 339 M CA 1.872 56.710 55.300 -0.771 0.000 1.114 339 M CB -0.766 31.015 32.600 -1.365 0.000 1.361 339 M HN 0.353 nan 8.290 nan 0.000 0.408 340 W N 0.403 121.400 121.300 -0.504 0.000 2.342 340 W HA -0.146 4.514 4.660 -0.000 0.000 0.297 340 W C 2.703 179.341 176.519 0.197 0.000 1.213 340 W CA 1.098 58.413 57.345 -0.050 0.000 1.251 340 W CB -0.390 29.049 29.460 -0.035 0.000 1.136 340 W HN 0.228 nan 8.180 nan 0.000 0.526 341 A N -0.247 122.709 122.820 0.227 0.000 1.970 341 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 341 A C 1.876 179.584 177.584 0.207 0.000 1.170 341 A CA 1.039 53.159 52.037 0.138 0.000 0.645 341 A CB -0.797 18.161 19.000 -0.070 0.000 0.816 341 A HN 0.284 nan 8.150 nan 0.000 0.447 342 L N -0.776 120.533 121.223 0.143 0.000 2.109 342 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 342 L C 2.778 179.881 176.870 0.388 0.000 1.086 342 L CA 0.958 55.914 54.840 0.193 0.000 0.760 342 L CB -0.688 41.420 42.059 0.081 0.000 0.910 342 L HN 0.441 nan 8.230 nan 0.000 0.437 343 G N -0.190 108.937 108.800 0.544 0.000 2.422 343 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 343 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 343 G C 1.517 176.802 174.900 0.641 0.000 1.146 343 G CA 0.525 46.111 45.100 0.811 0.000 0.769 343 G HN 0.301 nan 8.290 nan 0.000 0.547 344 F N 1.512 121.791 119.950 0.547 0.000 2.091 344 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 344 F C 2.417 178.392 175.800 0.292 0.000 1.103 344 F CA 1.505 59.707 58.000 0.336 0.000 1.228 344 F CB -0.150 38.998 39.000 0.246 0.000 0.984 344 F HN 0.124 nan 8.300 nan 0.000 0.477 345 I N -0.963 119.913 120.570 0.510 0.000 2.202 345 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 345 I C 2.319 178.654 176.117 0.365 0.000 1.091 345 I CA 1.429 63.011 61.300 0.470 0.000 1.368 345 I CB -0.663 37.604 38.000 0.445 0.000 1.058 345 I HN 0.219 nan 8.210 nan 0.000 0.410 346 F N 1.601 121.688 119.950 0.227 0.000 2.146 346 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 346 F C 2.090 177.967 175.800 0.129 0.000 1.096 346 F CA 1.620 59.729 58.000 0.182 0.000 1.275 346 F CB -0.208 38.919 39.000 0.211 0.000 1.008 346 F HN -0.135 nan 8.300 nan 0.000 0.480 347 L N -1.263 119.931 121.223 -0.048 0.000 2.270 347 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 347 L C 2.310 179.065 176.870 -0.192 0.000 1.104 347 L CA 0.745 55.460 54.840 -0.208 0.000 0.804 347 L CB -0.769 41.163 42.059 -0.211 0.000 0.937 347 L HN 0.219 nan 8.230 nan 0.000 0.450 348 F N 0.923 120.654 119.950 -0.365 0.000 2.113 348 F HA -0.219 4.308 4.527 -0.000 0.000 0.297 348 F C 2.443 178.136 175.800 -0.178 0.000 1.103 348 F CA 1.830 59.603 58.000 -0.379 0.000 1.248 348 F CB -0.245 38.315 39.000 -0.732 0.000 0.999 348 F HN -0.107 nan 8.300 nan 0.000 0.475 349 T N 0.462 114.905 114.554 -0.185 0.000 2.665 349 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 349 T C 2.076 176.571 174.700 -0.342 0.000 1.035 349 T CA 1.859 63.824 62.100 -0.224 0.000 1.151 349 T CB -0.676 68.161 68.868 -0.052 0.000 0.862 349 T HN 0.161 nan 8.240 nan 0.000 0.438 350 V N 1.068 120.734 119.914 -0.413 0.000 2.343 350 V HA -0.095 4.025 4.120 -0.000 0.000 0.247 350 V C 2.799 178.662 176.094 -0.384 0.000 1.051 350 V CA 2.001 64.044 62.300 -0.428 0.000 1.036 350 V CB -1.193 30.305 31.823 -0.543 0.000 0.654 350 V HN 0.607 nan 8.190 nan 0.000 0.451 351 G N -0.373 108.222 108.800 -0.342 0.000 2.430 351 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.216 351 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.216 351 G C 1.552 176.338 174.900 -0.190 0.000 1.146 351 G CA 0.733 45.693 45.100 -0.234 0.000 0.793 351 G HN 0.576 nan 8.290 nan 0.000 0.537 352 G N 0.725 109.255 108.800 -0.450 0.000 2.464 352 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.217 352 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.217 352 G C 1.724 176.516 174.900 -0.180 0.000 1.138 352 G CA 0.329 45.242 45.100 -0.312 0.000 0.793 352 G HN 0.403 nan 8.290 nan 0.000 0.539 353 L N 1.266 122.370 121.223 -0.200 0.000 2.109 353 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 353 L C 3.240 180.035 176.870 -0.126 0.000 1.086 353 L CA 1.625 56.382 54.840 -0.140 0.000 0.760 353 L CB -0.743 41.237 42.059 -0.131 0.000 0.910 353 L HN 0.327 nan 8.230 nan 0.000 0.437 354 T N -3.229 111.240 114.554 -0.143 0.000 2.977 354 T HA -0.078 4.272 4.350 -0.000 0.000 0.271 354 T C 1.870 176.469 174.700 -0.167 0.000 1.105 354 T CA 0.877 62.928 62.100 -0.082 0.000 1.116 354 T CB -0.651 68.122 68.868 -0.159 0.000 0.878 354 T HN 0.404 nan 8.240 nan 0.000 0.509 355 G N 1.851 110.458 108.800 -0.322 0.000 2.394 355 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.215 355 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.215 355 G C 1.455 176.163 174.900 -0.319 0.000 1.165 355 G CA 0.425 45.123 45.100 -0.669 0.000 0.784 355 G HN 0.450 nan 8.290 nan 0.000 0.535 356 I N 1.222 121.686 120.570 -0.176 0.000 2.335 356 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 356 I C 2.881 178.940 176.117 -0.097 0.000 1.129 356 I CA 0.756 61.990 61.300 -0.110 0.000 1.402 356 I CB -0.912 37.047 38.000 -0.068 0.000 1.069 356 I HN 0.026 nan 8.210 nan 0.000 0.424 357 V N 0.808 120.672 119.914 -0.084 0.000 2.343 357 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 357 V C 2.424 178.460 176.094 -0.097 0.000 1.051 357 V CA 1.438 63.697 62.300 -0.069 0.000 1.036 357 V CB -0.444 31.377 31.823 -0.003 0.000 0.654 357 V HN 0.334 nan 8.190 nan 0.000 0.451 358 L N -0.135 121.026 121.223 -0.104 0.000 2.478 358 L HA 0.060 4.400 4.340 -0.000 0.000 0.223 358 L C 2.441 179.277 176.870 -0.057 0.000 1.140 358 L CA 0.789 55.571 54.840 -0.096 0.000 0.842 358 L CB -0.480 41.492 42.059 -0.144 0.000 0.953 358 L HN 0.328 nan 8.230 nan 0.000 0.452 359 A N -0.677 122.093 122.820 -0.083 0.000 2.066 359 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 359 A C 0.922 178.520 177.584 0.024 0.000 1.157 359 A CA 0.393 52.440 52.037 0.016 0.000 0.670 359 A CB -0.365 18.604 19.000 -0.051 0.000 0.804 359 A HN 0.369 nan 8.150 nan 0.000 0.453 360 N N 1.700 120.344 118.700 -0.093 0.000 2.406 360 N HA 0.050 4.790 4.740 -0.000 0.000 0.269 360 N C 1.023 176.316 175.510 -0.363 0.000 1.210 360 N CA 0.655 53.588 53.050 -0.195 0.000 0.966 360 N CB 0.877 39.275 38.487 -0.149 0.000 1.293 360 N HN 0.493 nan 8.380 nan 0.000 0.491 361 S N 1.300 116.554 115.700 -0.743 0.000 2.392 361 S HA -0.203 4.267 4.470 -0.000 0.000 0.232 361 S C 1.972 176.278 174.600 -0.490 0.000 1.041 361 S CA 1.075 58.592 58.200 -1.138 0.000 1.026 361 S CB -0.129 62.266 63.200 -1.342 0.000 0.845 361 S HN 0.451 nan 8.310 nan 0.000 0.465 362 S N 1.521 117.023 115.700 -0.330 0.000 2.359 362 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 362 S C 1.764 176.270 174.600 -0.156 0.000 1.035 362 S CA 1.155 59.236 58.200 -0.198 0.000 1.018 362 S CB -0.461 62.647 63.200 -0.154 0.000 0.876 362 S HN 0.417 nan 8.310 nan 0.000 0.448 363 L N 0.828 121.954 121.223 -0.161 0.000 2.179 363 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 363 L C 2.067 178.866 176.870 -0.119 0.000 1.096 363 L CA 1.173 55.931 54.840 -0.136 0.000 0.779 363 L CB -0.392 41.576 42.059 -0.152 0.000 0.922 363 L HN 0.286 nan 8.230 nan 0.000 0.443 364 D N -0.011 120.322 120.400 -0.111 0.000 2.311 364 D HA -0.210 4.430 4.640 -0.000 0.000 0.212 364 D C 2.074 178.397 176.300 0.038 0.000 0.972 364 D CA 0.701 54.698 54.000 -0.005 0.000 0.887 364 D CB 0.223 41.100 40.800 0.128 0.000 0.915 364 D HN 0.111 nan 8.370 nan 0.000 0.497 365 I N 0.146 120.705 120.570 -0.018 0.000 2.208 365 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 365 I C 2.267 178.409 176.117 0.043 0.000 1.097 365 I CA 0.854 62.163 61.300 0.015 0.000 1.363 365 I CB -1.107 36.884 38.000 -0.016 0.000 1.051 365 I HN 0.074 nan 8.210 nan 0.000 0.413 366 V N 0.260 120.175 119.914 0.001 0.000 2.878 366 V HA -0.060 4.060 4.120 -0.000 0.000 0.250 366 V C 2.276 178.366 176.094 -0.006 0.000 1.075 366 V CA 0.804 63.103 62.300 -0.002 0.000 1.096 366 V CB -0.120 31.683 31.823 -0.033 0.000 0.724 366 V HN 0.296 nan 8.190 nan 0.000 0.467 367 L N -1.221 119.986 121.223 -0.027 0.000 2.416 367 L HA 0.177 4.517 4.340 -0.000 0.000 0.216 367 L C 1.306 178.203 176.870 0.046 0.000 1.098 367 L CA 0.028 54.840 54.840 -0.046 0.000 0.840 367 L CB -0.434 41.519 42.059 -0.177 0.000 0.981 367 L HN 0.366 nan 8.230 nan 0.000 0.462 368 H N 1.174 120.248 119.070 0.006 0.000 3.016 368 H HA -0.123 4.433 4.556 -0.000 0.000 0.345 368 H C 0.522 175.873 175.328 0.039 0.000 1.066 368 H CA 0.596 56.666 56.048 0.037 0.000 1.390 368 H CB 0.189 29.983 29.762 0.053 0.000 1.344 368 H HN 0.117 nan 8.280 nan 0.000 0.605 369 D N 1.760 121.652 120.400 -0.846 0.000 2.782 369 D HA -0.227 4.413 4.640 -0.000 0.000 0.231 369 D C -0.240 175.931 176.300 -0.216 0.000 1.163 369 D CA 1.439 55.143 54.000 -0.493 0.000 0.680 369 D CB -0.709 39.866 40.800 -0.376 0.000 1.062 369 D HN 0.731 nan 8.370 nan 0.000 0.425 370 T N -4.216 110.256 114.554 -0.136 0.000 2.927 370 T HA 0.393 4.743 4.350 -0.000 0.000 0.286 370 T C 0.994 175.660 174.700 -0.058 0.000 1.040 370 T CA -0.735 61.328 62.100 -0.062 0.000 1.010 370 T CB 0.957 69.828 68.868 0.005 0.000 1.177 370 T HN -0.037 nan 8.240 nan 0.000 0.546 371 Y N -0.601 119.647 120.300 -0.087 0.000 2.616 371 Y HA 0.061 4.611 4.550 -0.000 0.000 0.296 371 Y C 1.936 177.776 175.900 -0.100 0.000 1.154 371 Y CA 0.575 58.612 58.100 -0.104 0.000 1.325 371 Y CB -0.373 38.001 38.460 -0.144 0.000 1.007 371 Y HN 0.825 nan 8.280 nan 0.000 0.542 372 Y N -0.891 119.376 120.300 -0.054 0.000 2.242 372 Y HA -0.235 4.315 4.550 -0.000 0.000 0.291 372 Y C 2.167 178.003 175.900 -0.107 0.000 1.137 372 Y CA 1.385 59.434 58.100 -0.086 0.000 1.181 372 Y CB -0.344 38.093 38.460 -0.038 0.000 0.989 372 Y HN -0.100 nan 8.280 nan 0.000 0.527 373 V N -1.049 118.927 119.914 0.103 0.000 2.343 373 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 373 V C 2.269 178.278 176.094 -0.143 0.000 1.051 373 V CA 1.781 64.139 62.300 0.096 0.000 1.036 373 V CB -0.881 31.029 31.823 0.146 0.000 0.654 373 V HN 0.315 nan 8.190 nan 0.000 0.451 374 V N 0.301 119.969 119.914 -0.410 0.000 2.407 374 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 374 V C 2.657 178.315 176.094 -0.727 0.000 1.055 374 V CA 1.962 63.717 62.300 -0.910 0.000 1.049 374 V CB -1.132 30.272 31.823 -0.698 0.000 0.662 374 V HN 0.561 nan 8.190 nan 0.000 0.455 375 A N -0.050 122.477 122.820 -0.489 0.000 1.873 375 A HA -0.265 4.055 4.320 -0.000 0.000 0.215 375 A C 2.121 179.456 177.584 -0.415 0.000 1.186 375 A CA 2.082 53.802 52.037 -0.529 0.000 0.616 375 A CB -0.893 17.490 19.000 -1.029 0.000 0.823 375 A HN 0.749 nan 8.150 nan 0.000 0.442 376 H N 0.472 119.256 119.070 -0.476 0.000 2.267 376 H HA -0.275 4.281 4.556 -0.000 0.000 0.291 376 H C 1.656 176.870 175.328 -0.191 0.000 1.094 376 H CA 2.741 58.616 56.048 -0.289 0.000 1.227 376 H CB -0.856 28.800 29.762 -0.175 0.000 1.351 376 H HN 0.617 nan 8.280 nan 0.000 0.483 377 F N -1.783 117.848 119.950 -0.531 0.000 2.456 377 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 377 F C 1.911 177.330 175.800 -0.635 0.000 1.104 377 F CA 0.808 58.372 58.000 -0.727 0.000 1.435 377 F CB -0.606 38.070 39.000 -0.539 0.000 1.078 377 F HN 0.179 nan 8.300 nan 0.000 0.546 378 H N -1.608 117.058 119.070 -0.673 0.000 2.512 378 H HA 0.035 4.591 4.556 -0.000 0.000 0.279 378 H C 1.415 176.322 175.328 -0.703 0.000 0.999 378 H CA 1.366 56.905 56.048 -0.848 0.000 1.283 378 H CB -0.255 28.384 29.762 -1.873 0.000 1.421 378 H HN 0.222 nan 8.280 nan 0.000 0.554 379 Y N 0.325 120.336 120.300 -0.481 0.000 2.089 379 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 379 Y C 2.639 178.349 175.900 -0.317 0.000 1.139 379 Y CA 1.649 59.537 58.100 -0.353 0.000 1.123 379 Y CB -0.648 37.634 38.460 -0.296 0.000 0.980 379 Y HN 0.133 nan 8.280 nan 0.000 0.493 380 V N -2.127 117.678 119.914 -0.182 0.000 2.515 380 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 380 V C 1.869 177.916 176.094 -0.077 0.000 1.058 380 V CA 1.653 63.894 62.300 -0.099 0.000 1.064 380 V CB -0.925 30.818 31.823 -0.134 0.000 0.675 380 V HN 0.374 nan 8.190 nan 0.000 0.461 381 L N 0.038 121.156 121.223 -0.175 0.000 2.189 381 L HA 0.119 4.459 4.340 -0.000 0.000 0.199 381 L C 2.687 179.505 176.870 -0.087 0.000 1.074 381 L CA 1.471 56.221 54.840 -0.151 0.000 0.783 381 L CB -0.414 41.501 42.059 -0.241 0.000 0.955 381 L HN 0.333 nan 8.230 nan 0.000 0.460 382 S N -1.110 114.511 115.700 -0.131 0.000 2.558 382 S HA 0.126 4.596 4.470 -0.000 0.000 0.217 382 S C 1.600 176.202 174.600 0.003 0.000 0.975 382 S CA 0.394 58.594 58.200 -0.000 0.000 0.912 382 S CB 0.141 63.370 63.200 0.048 0.000 0.776 382 S HN 0.239 nan 8.310 nan 0.000 0.526 383 M N -0.867 118.616 119.600 -0.196 0.000 2.879 383 M HA 0.315 4.795 4.480 -0.000 0.000 0.241 383 M C 2.219 178.352 176.300 -0.277 0.000 1.523 383 M CA 0.649 55.668 55.300 -0.468 0.000 1.195 383 M CB -0.628 31.501 32.600 -0.784 0.000 1.277 383 M HN 0.263 nan 8.290 nan 0.000 0.557 384 G N 0.871 109.593 108.800 -0.130 0.000 2.679 384 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.214 384 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.214 384 G C 1.590 176.706 174.900 0.360 0.000 1.315 384 G CA 1.137 46.243 45.100 0.010 0.000 0.836 384 G HN 0.436 nan 8.290 nan 0.000 0.580 385 A N -0.383 122.569 122.820 0.220 0.000 1.909 385 A HA -0.146 4.174 4.320 -0.000 0.000 0.221 385 A C 2.624 180.331 177.584 0.205 0.000 1.223 385 A CA 2.693 54.828 52.037 0.163 0.000 0.658 385 A CB -1.067 17.942 19.000 0.016 0.000 0.831 385 A HN 0.413 nan 8.150 nan 0.000 0.462 386 V N -1.638 118.417 119.914 0.234 0.000 2.427 386 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 386 V C 2.300 178.590 176.094 0.326 0.000 1.051 386 V CA 1.976 64.427 62.300 0.251 0.000 1.048 386 V CB -0.776 31.227 31.823 0.299 0.000 0.666 386 V HN 0.632 nan 8.190 nan 0.000 0.456 387 F N 0.177 120.264 119.950 0.229 0.000 2.146 387 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 387 F C 2.480 178.397 175.800 0.195 0.000 1.096 387 F CA 0.897 59.113 58.000 0.359 0.000 1.275 387 F CB -0.379 39.018 39.000 0.661 0.000 1.008 387 F HN 0.147 nan 8.300 nan 0.000 0.480 388 A N 0.431 123.471 122.820 0.366 0.000 1.940 388 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 388 A C 2.121 179.668 177.584 -0.061 0.000 1.176 388 A CA 1.496 53.551 52.037 0.029 0.000 0.631 388 A CB -0.969 17.971 19.000 -0.100 0.000 0.814 388 A HN 0.423 nan 8.150 nan 0.000 0.446 389 I N -1.034 119.533 120.570 -0.005 0.000 2.286 389 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 389 I C 2.483 178.584 176.117 -0.026 0.000 1.104 389 I CA 0.987 62.295 61.300 0.014 0.000 1.397 389 I CB -0.200 37.864 38.000 0.107 0.000 1.072 389 I HN 0.247 nan 8.210 nan 0.000 0.417 390 M N 0.152 119.579 119.600 -0.289 0.000 2.175 390 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 390 M C 2.333 178.270 176.300 -0.605 0.000 1.063 390 M CA 1.599 56.501 55.300 -0.665 0.000 1.119 390 M CB -1.883 29.612 32.600 -1.840 0.000 1.377 390 M HN 0.259 nan 8.290 nan 0.000 0.415 391 G N -0.578 107.954 108.800 -0.447 0.000 2.403 391 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 391 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 391 G C 1.597 176.473 174.900 -0.040 0.000 1.154 391 G CA 0.863 45.903 45.100 -0.100 0.000 0.784 391 G HN 0.544 nan 8.290 nan 0.000 0.538 392 G N 0.409 109.175 108.800 -0.057 0.000 2.418 392 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 392 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 392 G C 1.598 176.763 174.900 0.442 0.000 1.158 392 G CA 0.910 46.041 45.100 0.050 0.000 0.771 392 G HN 0.369 nan 8.290 nan 0.000 0.545 393 F N 1.559 121.717 119.950 0.347 0.000 2.163 393 F HA -0.044 4.483 4.527 -0.000 0.000 0.297 393 F C 2.671 178.612 175.800 0.235 0.000 1.094 393 F CA 1.640 59.911 58.000 0.452 0.000 1.290 393 F CB -0.303 38.881 39.000 0.307 0.000 1.017 393 F HN 0.057 nan 8.300 nan 0.000 0.483 394 V N -0.836 119.198 119.914 0.200 0.000 2.427 394 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 394 V C 2.398 178.516 176.094 0.041 0.000 1.051 394 V CA 2.517 64.863 62.300 0.078 0.000 1.048 394 V CB -1.244 30.694 31.823 0.192 0.000 0.666 394 V HN 0.531 nan 8.190 nan 0.000 0.456 395 H N -0.943 118.075 119.070 -0.087 0.000 2.353 395 H HA -0.116 4.440 4.556 -0.000 0.000 0.300 395 H C 1.845 177.036 175.328 -0.228 0.000 1.090 395 H CA 2.568 58.489 56.048 -0.212 0.000 1.327 395 H CB -0.219 29.252 29.762 -0.485 0.000 1.383 395 H HN 0.597 nan 8.280 nan 0.000 0.508 396 W N -0.702 120.419 121.300 -0.299 0.000 3.114 396 W HA 0.046 4.706 4.660 -0.000 0.000 0.279 396 W C 1.702 177.521 176.519 -1.167 0.000 1.277 396 W CA -0.176 56.649 57.345 -0.866 0.000 1.630 396 W CB -0.898 27.908 29.460 -1.091 0.000 1.087 396 W HN 0.186 nan 8.180 nan 0.000 0.637 397 F N 2.830 122.333 119.950 -0.745 0.000 2.048 397 F HA -0.285 4.242 4.527 -0.000 0.000 0.296 397 F C -0.727 174.777 175.800 -0.493 0.000 1.109 397 F CA 2.539 60.099 58.000 -0.734 0.000 1.214 397 F CB -1.572 36.938 39.000 -0.816 0.000 0.963 397 F HN -0.250 nan 8.300 nan 0.000 0.491 398 P HA -0.167 nan 4.420 nan 0.000 0.219 398 P C 1.748 178.873 177.300 -0.291 0.000 1.146 398 P CA 1.313 64.269 63.100 -0.239 0.000 0.808 398 P CB -0.129 31.601 31.700 0.050 0.000 0.779 399 L N -1.611 119.336 121.223 -0.459 0.000 2.044 399 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 399 L C 1.930 178.470 176.870 -0.550 0.000 1.075 399 L CA 2.002 56.464 54.840 -0.630 0.000 0.747 399 L CB -1.297 39.994 42.059 -1.279 0.000 0.903 399 L HN -0.166 nan 8.230 nan 0.000 0.435 400 F N -0.501 118.943 119.950 -0.844 0.000 2.259 400 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 400 F C 2.740 178.194 175.800 -0.577 0.000 1.088 400 F CA 0.910 58.259 58.000 -1.086 0.000 1.358 400 F CB -1.544 36.701 39.000 -1.258 0.000 1.040 400 F HN 0.360 nan 8.300 nan 0.000 0.505 401 S N -1.513 113.866 115.700 -0.535 0.000 2.499 401 S HA 0.427 4.897 4.470 -0.000 0.000 0.225 401 S C 1.875 176.192 174.600 -0.472 0.000 1.050 401 S CA 0.531 58.467 58.200 -0.439 0.000 0.928 401 S CB 0.265 62.954 63.200 -0.852 0.000 0.803 401 S HN 0.501 nan 8.310 nan 0.000 0.506 402 G N -0.070 108.435 108.800 -0.492 0.000 2.176 402 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.232 402 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.232 402 G C -0.267 174.342 174.900 -0.485 0.000 0.986 402 G CA 0.256 45.073 45.100 -0.473 0.000 0.643 402 G HN 0.526 nan 8.290 nan 0.000 0.522 403 Y N 1.019 121.195 120.300 -0.207 0.000 2.524 403 Y HA 0.679 5.229 4.550 -0.000 0.000 0.344 403 Y C 0.922 176.817 175.900 -0.008 0.000 1.012 403 Y CA -0.518 57.525 58.100 -0.096 0.000 1.068 403 Y CB 1.676 40.075 38.460 -0.101 0.000 1.249 403 Y HN 0.295 nan 8.280 nan 0.000 0.468 404 T N -0.076 114.604 114.554 0.210 0.000 2.934 404 T HA 0.737 5.087 4.350 -0.000 0.000 0.283 404 T C -0.253 174.531 174.700 0.140 0.000 1.005 404 T CA -0.838 61.357 62.100 0.158 0.000 1.041 404 T CB 0.836 69.760 68.868 0.094 0.000 1.042 404 T HN 0.487 nan 8.240 nan 0.000 0.505 405 L N 1.478 122.751 121.223 0.083 0.000 2.431 405 L HA 0.418 4.758 4.340 -0.000 0.000 0.260 405 L C 1.049 177.942 176.870 0.038 0.000 1.098 405 L CA -1.175 53.652 54.840 -0.022 0.000 0.800 405 L CB 0.616 42.636 42.059 -0.066 0.000 1.210 405 L HN 0.721 nan 8.230 nan 0.000 0.465 406 N N 0.886 119.626 118.700 0.066 0.000 2.401 406 N HA -0.036 4.704 4.740 -0.000 0.000 0.255 406 N C 0.091 175.698 175.510 0.163 0.000 1.110 406 N CA -0.092 53.048 53.050 0.150 0.000 0.949 406 N CB 1.073 39.740 38.487 0.301 0.000 1.110 406 N HN 0.523 nan 8.380 nan 0.000 0.490 407 D N 2.374 122.838 120.400 0.107 0.000 2.158 407 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 407 D C 1.239 177.598 176.300 0.098 0.000 0.995 407 D CA 1.617 55.674 54.000 0.095 0.000 0.846 407 D CB 0.111 40.945 40.800 0.057 0.000 0.941 407 D HN 0.561 nan 8.370 nan 0.000 0.456 408 T N -0.847 113.743 114.554 0.061 0.000 2.777 408 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 408 T C 1.751 176.490 174.700 0.065 0.000 1.040 408 T CA 0.871 62.968 62.100 -0.004 0.000 1.141 408 T CB -0.503 68.293 68.868 -0.121 0.000 0.868 408 T HN 0.335 nan 8.240 nan 0.000 0.444 409 W N 1.315 122.683 121.300 0.113 0.000 2.363 409 W HA -0.024 4.636 4.660 0.000 0.000 0.296 409 W C 2.805 179.443 176.519 0.198 0.000 1.212 409 W CA 0.558 58.003 57.345 0.166 0.000 1.260 409 W CB -0.229 29.352 29.460 0.201 0.000 1.131 409 W HN 0.211 nan 8.180 nan 0.000 0.530 410 A N 0.111 123.178 122.820 0.412 0.000 1.969 410 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 410 A C 1.803 179.600 177.584 0.356 0.000 1.169 410 A CA 1.597 53.873 52.037 0.399 0.000 0.635 410 A CB -0.479 18.702 19.000 0.302 0.000 0.810 410 A HN 0.288 nan 8.150 nan 0.000 0.445 411 K N -0.381 120.148 120.400 0.215 0.000 2.062 411 K HA 0.071 4.391 4.320 -0.000 0.000 0.205 411 K C 1.725 178.428 176.600 0.172 0.000 1.051 411 K CA 1.181 57.544 56.287 0.126 0.000 0.941 411 K CB -0.310 32.211 32.500 0.035 0.000 0.719 411 K HN 0.489 nan 8.250 nan 0.000 0.440 412 I N 0.986 121.673 120.570 0.195 0.000 2.151 412 I HA -0.386 3.784 4.170 -0.000 0.000 0.243 412 I C 2.740 179.013 176.117 0.259 0.000 1.080 412 I CA 1.615 63.038 61.300 0.206 0.000 1.339 412 I CB -0.528 37.625 38.000 0.255 0.000 1.039 412 I HN 0.388 nan 8.210 nan 0.000 0.409 413 H N 0.717 119.953 119.070 0.278 0.000 2.357 413 H HA -0.254 4.302 4.556 -0.000 0.000 0.301 413 H C 2.307 177.759 175.328 0.206 0.000 1.082 413 H CA 1.984 58.202 56.048 0.283 0.000 1.342 413 H CB -0.183 29.797 29.762 0.363 0.000 1.389 413 H HN 0.344 nan 8.280 nan 0.000 0.511 414 F N 1.731 121.496 119.950 -0.307 0.000 2.126 414 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 414 F C 2.585 178.123 175.800 -0.437 0.000 1.096 414 F CA 1.741 59.267 58.000 -0.790 0.000 1.255 414 F CB -0.687 37.681 39.000 -1.053 0.000 0.997 414 F HN 0.233 nan 8.300 nan 0.000 0.479 415 A N 0.836 123.484 122.820 -0.286 0.000 1.877 415 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 415 A C 2.288 179.763 177.584 -0.182 0.000 1.186 415 A CA 1.988 53.862 52.037 -0.271 0.000 0.620 415 A CB -1.225 17.741 19.000 -0.056 0.000 0.822 415 A HN 0.509 nan 8.150 nan 0.000 0.443 416 I N -1.508 119.012 120.570 -0.084 0.000 2.179 416 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 416 I C 2.637 178.729 176.117 -0.042 0.000 1.088 416 I CA 1.860 63.154 61.300 -0.010 0.000 1.357 416 I CB -0.266 37.781 38.000 0.078 0.000 1.051 416 I HN 0.360 nan 8.210 nan 0.000 0.409 417 M N 0.416 119.946 119.600 -0.117 0.000 2.108 417 M HA -0.267 4.213 4.480 -0.000 0.000 0.261 417 M C 2.076 178.358 176.300 -0.029 0.000 1.066 417 M CA 1.924 57.191 55.300 -0.055 0.000 1.107 417 M CB -0.666 31.903 32.600 -0.052 0.000 1.356 417 M HN 0.226 nan 8.290 nan 0.000 0.406 418 F N -0.615 119.120 119.950 -0.357 0.000 2.134 418 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 418 F C 1.861 177.599 175.800 -0.102 0.000 1.097 418 F CA 1.622 59.476 58.000 -0.243 0.000 1.264 418 F CB -0.431 38.163 39.000 -0.677 0.000 1.001 418 F HN -0.044 nan 8.300 nan 0.000 0.479 419 V N 0.334 120.273 119.914 0.042 0.000 2.343 419 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 419 V C 2.686 178.747 176.094 -0.055 0.000 1.051 419 V CA 1.967 64.272 62.300 0.008 0.000 1.036 419 V CB -1.619 30.230 31.823 0.044 0.000 0.654 419 V HN 0.552 nan 8.190 nan 0.000 0.451 420 G N 0.354 109.130 108.800 -0.040 0.000 2.394 420 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 420 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 420 G C 1.711 176.548 174.900 -0.105 0.000 1.165 420 G CA 1.275 46.348 45.100 -0.044 0.000 0.784 420 G HN 0.539 nan 8.290 nan 0.000 0.535 421 V N -0.688 119.177 119.914 -0.080 0.000 2.427 421 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 421 V C 2.188 178.175 176.094 -0.179 0.000 1.051 421 V CA 1.946 64.200 62.300 -0.077 0.000 1.048 421 V CB -0.626 31.238 31.823 0.068 0.000 0.666 421 V HN 0.249 nan 8.190 nan 0.000 0.456 422 N N 0.111 118.667 118.700 -0.241 0.000 2.216 422 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 422 N C 1.852 177.323 175.510 -0.064 0.000 1.017 422 N CA 1.902 54.833 53.050 -0.199 0.000 0.861 422 N CB -0.133 38.172 38.487 -0.303 0.000 0.986 422 N HN 0.595 nan 8.380 nan 0.000 0.428 423 M N 0.948 120.493 119.600 -0.092 0.000 2.175 423 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 423 M C 1.689 177.908 176.300 -0.134 0.000 1.063 423 M CA 1.272 56.543 55.300 -0.048 0.000 1.119 423 M CB -0.132 32.454 32.600 -0.023 0.000 1.377 423 M HN -0.039 nan 8.290 nan 0.000 0.415 424 T N 0.341 114.701 114.554 -0.323 0.000 2.674 424 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 424 T C 1.226 175.524 174.700 -0.669 0.000 1.039 424 T CA 1.889 63.604 62.100 -0.641 0.000 1.150 424 T CB -0.405 67.765 68.868 -1.164 0.000 0.864 424 T HN 0.459 nan 8.240 nan 0.000 0.427 425 F N -0.845 119.024 119.950 -0.134 0.000 2.678 425 F HA 0.317 4.844 4.527 -0.000 0.000 0.291 425 F C 1.798 177.553 175.800 -0.075 0.000 1.123 425 F CA -0.525 57.381 58.000 -0.156 0.000 1.395 425 F CB -0.169 38.685 39.000 -0.243 0.000 1.121 425 F HN 0.021 nan 8.300 nan 0.000 0.592 426 F N 2.873 122.864 119.950 0.068 0.000 2.069 426 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 426 F C -0.920 174.685 175.800 -0.325 0.000 1.113 426 F CA 1.272 59.297 58.000 0.041 0.000 1.214 426 F CB -1.668 37.353 39.000 0.036 0.000 0.978 426 F HN -0.170 nan 8.300 nan 0.000 0.474 427 P HA -0.154 nan 4.420 nan 0.000 0.225 427 P C 1.072 178.005 177.300 -0.611 0.000 1.148 427 P CA 1.478 64.160 63.100 -0.696 0.000 0.779 427 P CB -0.186 31.447 31.700 -0.111 0.000 0.780 428 Q N -1.944 117.590 119.800 -0.444 0.000 2.297 428 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 428 Q C 1.668 177.438 176.000 -0.383 0.000 0.962 428 Q CA 0.946 56.575 55.803 -0.290 0.000 0.879 428 Q CB -0.519 28.168 28.738 -0.084 0.000 0.947 428 Q HN 0.515 nan 8.270 nan 0.000 0.462 429 H N -0.678 118.028 119.070 -0.607 0.000 2.352 429 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 429 H C 1.450 176.629 175.328 -0.249 0.000 1.097 429 H CA 1.685 57.402 56.048 -0.552 0.000 1.311 429 H CB 0.005 29.234 29.762 -0.889 0.000 1.377 429 H HN 0.200 nan 8.280 nan 0.000 0.504 430 F N 0.313 120.113 119.950 -0.251 0.000 2.102 430 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 430 F C 2.283 178.063 175.800 -0.033 0.000 1.105 430 F CA 0.821 58.684 58.000 -0.228 0.000 1.239 430 F CB -1.071 37.526 39.000 -0.672 0.000 0.991 430 F HN 0.084 nan 8.300 nan 0.000 0.474 431 L N -0.321 120.975 121.223 0.122 0.000 2.079 431 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 431 L C 2.670 179.568 176.870 0.046 0.000 1.081 431 L CA 1.455 56.347 54.840 0.088 0.000 0.752 431 L CB -1.267 40.711 42.059 -0.135 0.000 0.896 431 L HN 0.295 nan 8.230 nan 0.000 0.433 432 G N -0.385 108.477 108.800 0.103 0.000 2.396 432 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.214 432 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.214 432 G C 1.608 176.598 174.900 0.150 0.000 1.166 432 G CA 0.136 45.329 45.100 0.154 0.000 0.793 432 G HN 0.184 nan 8.290 nan 0.000 0.533 433 L N 1.694 123.033 121.223 0.193 0.000 2.042 433 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 433 L C 3.044 179.988 176.870 0.123 0.000 1.076 433 L CA 1.620 56.528 54.840 0.113 0.000 0.749 433 L CB -0.388 41.756 42.059 0.143 0.000 0.893 433 L HN 0.429 nan 8.230 nan 0.000 0.432 434 S N -0.805 115.014 115.700 0.197 0.000 2.603 434 S HA 0.158 4.628 4.470 -0.000 0.000 0.220 434 S C 1.346 176.138 174.600 0.320 0.000 0.967 434 S CA 0.347 58.704 58.200 0.263 0.000 0.920 434 S CB 0.329 63.744 63.200 0.359 0.000 0.773 434 S HN 0.580 nan 8.310 nan 0.000 0.529 435 G N 1.145 110.044 108.800 0.165 0.000 2.131 435 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.201 435 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.201 435 G C -0.147 174.705 174.900 -0.080 0.000 1.000 435 G CA -0.018 45.134 45.100 0.087 0.000 0.680 435 G HN 0.602 nan 8.290 nan 0.000 0.514 436 M N 1.893 121.285 119.600 -0.346 0.000 2.292 436 M HA 0.366 4.846 4.480 -0.000 0.000 0.342 436 M C -1.922 174.216 176.300 -0.270 0.000 1.538 436 M CA -1.399 53.511 55.300 -0.650 0.000 1.163 436 M CB 0.544 32.605 32.600 -0.899 0.000 1.823 436 M HN 0.030 nan 8.290 nan 0.000 0.462 437 P HA 0.159 nan 4.420 nan 0.000 0.272 437 P C -1.105 176.019 177.300 -0.293 0.000 1.230 437 P CA -0.101 62.724 63.100 -0.459 0.000 0.788 437 P CB 0.471 31.666 31.700 -0.841 0.000 0.949 438 R N 1.492 121.875 120.500 -0.195 0.000 2.539 438 R HA 0.272 4.612 4.340 -0.000 0.000 0.275 438 R C 0.492 176.853 176.300 0.101 0.000 1.077 438 R CA -0.159 55.877 56.100 -0.105 0.000 1.097 438 R CB 0.057 30.271 30.300 -0.144 0.000 1.018 438 R HN 0.459 nan 8.270 nan 0.000 0.483 439 R N 0.440 121.112 120.500 0.286 0.000 3.762 439 R HA -0.203 4.137 4.340 -0.000 0.000 0.328 439 R C -1.246 175.420 176.300 0.610 0.000 1.164 439 R CA 0.604 56.963 56.100 0.431 0.000 0.861 439 R CB -1.837 28.627 30.300 0.274 0.000 1.408 439 R HN 0.599 nan 8.270 nan 0.000 0.502 440 Y N -0.278 120.173 120.300 0.251 0.000 2.331 440 Y HA 0.130 4.680 4.550 -0.000 0.000 0.338 440 Y C 1.674 177.403 175.900 -0.285 0.000 0.976 440 Y CA -0.147 57.990 58.100 0.062 0.000 1.137 440 Y CB 1.535 40.063 38.460 0.113 0.000 1.172 440 Y HN 0.189 nan 8.280 nan 0.000 0.478 441 S N 0.524 115.921 115.700 -0.506 0.000 2.453 441 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 441 S C 0.049 174.420 174.600 -0.382 0.000 1.005 441 S CA 0.733 58.409 58.200 -0.873 0.000 0.949 441 S CB 0.112 63.023 63.200 -0.482 0.000 0.774 441 S HN 0.669 nan 8.310 nan 0.000 0.510 442 D N -0.502 119.770 120.400 -0.213 0.000 2.583 442 D HA 0.566 5.206 4.640 -0.000 0.000 0.248 442 D C -1.544 174.747 176.300 -0.016 0.000 1.209 442 D CA -0.840 53.025 54.000 -0.224 0.000 0.848 442 D CB 1.794 42.441 40.800 -0.255 0.000 1.431 442 D HN 0.271 nan 8.370 nan 0.000 0.436 443 Y N -1.718 118.634 120.300 0.086 0.000 2.553 443 Y HA 0.745 5.295 4.550 -0.000 0.000 0.347 443 Y C -2.689 173.334 175.900 0.206 0.000 1.019 443 Y CA -2.541 55.680 58.100 0.202 0.000 1.032 443 Y CB -0.074 38.495 38.460 0.183 0.000 1.284 443 Y HN 0.060 nan 8.280 nan 0.000 0.466 444 P HA 0.049 nan 4.420 nan 0.000 0.266 444 P C 0.065 177.528 177.300 0.271 0.000 1.193 444 P CA 0.239 63.505 63.100 0.277 0.000 0.770 444 P CB 0.869 32.715 31.700 0.244 0.000 0.836 445 D N 1.897 122.355 120.400 0.096 0.000 2.158 445 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 445 D C 1.919 178.229 176.300 0.016 0.000 0.995 445 D CA 1.889 55.930 54.000 0.069 0.000 0.846 445 D CB -0.716 40.084 40.800 -0.001 0.000 0.941 445 D HN 0.398 nan 8.370 nan 0.000 0.456 446 A N 0.225 122.967 122.820 -0.130 0.000 1.997 446 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 446 A C 1.382 178.816 177.584 -0.250 0.000 1.172 446 A CA 1.250 53.127 52.037 -0.268 0.000 0.645 446 A CB -1.005 17.722 19.000 -0.455 0.000 0.813 446 A HN 0.329 nan 8.150 nan 0.000 0.454 447 Y N 0.141 120.463 120.300 0.037 0.000 2.462 447 Y HA 0.109 4.659 4.550 -0.000 0.000 0.293 447 Y C 2.284 178.049 175.900 -0.225 0.000 1.195 447 Y CA 0.462 58.508 58.100 -0.091 0.000 1.276 447 Y CB -0.972 37.393 38.460 -0.158 0.000 1.082 447 Y HN 0.203 nan 8.280 nan 0.000 0.514 448 T N 0.021 114.600 114.554 0.042 0.000 2.701 448 T HA -0.240 4.110 4.350 -0.000 0.000 0.263 448 T C 2.087 176.723 174.700 -0.106 0.000 1.040 448 T CA 1.530 63.670 62.100 0.067 0.000 1.147 448 T CB -0.198 68.738 68.868 0.114 0.000 0.865 448 T HN 0.454 nan 8.240 nan 0.000 0.426 449 M N -0.564 118.871 119.600 -0.276 0.000 2.159 449 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 449 M C 1.734 177.850 176.300 -0.307 0.000 1.063 449 M CA 1.778 56.841 55.300 -0.396 0.000 1.110 449 M CB -0.164 32.011 32.600 -0.708 0.000 1.374 449 M HN 0.413 nan 8.290 nan 0.000 0.411 450 W N 0.167 121.460 121.300 -0.012 0.000 2.494 450 W HA -0.012 4.648 4.660 -0.000 0.000 0.286 450 W C 2.182 178.638 176.519 -0.106 0.000 1.218 450 W CA -0.230 57.109 57.345 -0.009 0.000 1.313 450 W CB -0.541 28.947 29.460 0.047 0.000 1.105 450 W HN 0.239 nan 8.180 nan 0.000 0.561 451 N N 0.405 119.096 118.700 -0.015 0.000 2.061 451 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 451 N C 1.493 176.987 175.510 -0.027 0.000 1.030 451 N CA 2.417 55.379 53.050 -0.147 0.000 0.856 451 N CB -0.862 37.360 38.487 -0.441 0.000 1.023 451 N HN 0.098 nan 8.380 nan 0.000 0.424 452 T N 2.198 116.753 114.554 0.002 0.000 2.652 452 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 452 T C 2.164 176.879 174.700 0.024 0.000 1.039 452 T CA 0.925 63.035 62.100 0.016 0.000 1.153 452 T CB -0.274 68.592 68.868 -0.004 0.000 0.863 452 T HN 0.203 nan 8.240 nan 0.000 0.428 453 I N 1.002 121.610 120.570 0.064 0.000 2.208 453 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 453 I C 2.804 178.951 176.117 0.051 0.000 1.097 453 I CA 1.107 62.465 61.300 0.096 0.000 1.363 453 I CB -0.437 37.702 38.000 0.231 0.000 1.051 453 I HN 0.248 nan 8.210 nan 0.000 0.413 454 S N 0.166 115.883 115.700 0.027 0.000 2.368 454 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 454 S C 2.203 176.754 174.600 -0.082 0.000 1.030 454 S CA 2.039 60.193 58.200 -0.077 0.000 0.999 454 S CB -0.159 62.972 63.200 -0.116 0.000 0.844 454 S HN 0.414 nan 8.310 nan 0.000 0.459 455 S N 1.148 116.843 115.700 -0.009 0.000 2.402 455 S HA 0.045 4.515 4.470 -0.000 0.000 0.229 455 S C 1.849 176.532 174.600 0.139 0.000 1.021 455 S CA 1.270 59.512 58.200 0.071 0.000 0.974 455 S CB -0.334 62.925 63.200 0.099 0.000 0.800 455 S HN 0.515 nan 8.310 nan 0.000 0.484 456 M N 1.105 120.734 119.600 0.048 0.000 2.067 456 M HA -0.053 4.427 4.480 -0.000 0.000 0.260 456 M C 2.603 178.951 176.300 0.081 0.000 1.069 456 M CA 1.565 56.885 55.300 0.033 0.000 1.117 456 M CB -1.114 31.480 32.600 -0.011 0.000 1.334 456 M HN 0.459 nan 8.290 nan 0.000 0.407 457 G N 0.395 109.203 108.800 0.013 0.000 2.547 457 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.221 457 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.221 457 G C 1.626 176.499 174.900 -0.045 0.000 1.140 457 G CA 1.726 46.799 45.100 -0.045 0.000 0.760 457 G HN 0.579 nan 8.290 nan 0.000 0.583 458 S N 0.070 115.747 115.700 -0.039 0.000 2.383 458 S HA -0.005 4.465 4.470 -0.000 0.000 0.227 458 S C 2.129 176.720 174.600 -0.015 0.000 1.026 458 S CA 1.168 59.328 58.200 -0.068 0.000 0.981 458 S CB -0.600 62.546 63.200 -0.091 0.000 0.818 458 S HN 0.297 nan 8.310 nan 0.000 0.472 459 F N 1.749 121.671 119.950 -0.047 0.000 2.171 459 F HA 0.081 4.608 4.527 -0.000 0.000 0.300 459 F C 2.248 178.044 175.800 -0.007 0.000 1.090 459 F CA 1.108 59.096 58.000 -0.019 0.000 1.293 459 F CB -0.370 38.622 39.000 -0.012 0.000 1.013 459 F HN 0.197 nan 8.300 nan 0.000 0.486 460 I N -1.071 119.587 120.570 0.147 0.000 2.252 460 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 460 I C 2.336 178.491 176.117 0.064 0.000 1.102 460 I CA 1.141 62.494 61.300 0.089 0.000 1.385 460 I CB -0.584 37.449 38.000 0.055 0.000 1.064 460 I HN 0.002 nan 8.210 nan 0.000 0.414 461 S N 0.940 116.662 115.700 0.036 0.000 2.382 461 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 461 S C 1.908 176.534 174.600 0.043 0.000 1.027 461 S CA 1.101 59.329 58.200 0.047 0.000 0.991 461 S CB -0.374 62.845 63.200 0.032 0.000 0.823 461 S HN 0.318 nan 8.310 nan 0.000 0.469 462 L N 2.102 123.316 121.223 -0.015 0.000 2.046 462 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 462 L C 2.157 179.038 176.870 0.018 0.000 1.077 462 L CA 1.953 56.766 54.840 -0.044 0.000 0.747 462 L CB -1.557 40.402 42.059 -0.166 0.000 0.896 462 L HN 0.192 nan 8.230 nan 0.000 0.432 463 T N 0.173 114.758 114.554 0.052 0.000 2.720 463 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 463 T C 1.959 176.730 174.700 0.118 0.000 1.037 463 T CA 1.455 63.602 62.100 0.079 0.000 1.144 463 T CB -0.684 68.240 68.868 0.093 0.000 0.864 463 T HN 0.552 nan 8.240 nan 0.000 0.444 464 A N 0.969 123.879 122.820 0.151 0.000 1.917 464 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 464 A C 2.593 180.348 177.584 0.285 0.000 1.182 464 A CA 1.689 53.886 52.037 0.266 0.000 0.633 464 A CB -1.100 18.041 19.000 0.235 0.000 0.819 464 A HN 0.380 nan 8.150 nan 0.000 0.448 465 V N -0.222 119.793 119.914 0.168 0.000 2.358 465 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 465 V C 2.634 178.760 176.094 0.053 0.000 1.047 465 V CA 2.115 64.479 62.300 0.106 0.000 1.035 465 V CB -0.650 31.207 31.823 0.056 0.000 0.658 465 V HN 0.580 nan 8.190 nan 0.000 0.452 466 M N -0.948 118.680 119.600 0.046 0.000 2.132 466 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 466 M C 2.270 178.596 176.300 0.044 0.000 1.065 466 M CA 1.727 57.043 55.300 0.025 0.000 1.122 466 M CB -0.559 32.047 32.600 0.011 0.000 1.365 466 M HN 0.320 nan 8.290 nan 0.000 0.411 467 L N 0.752 122.019 121.223 0.074 0.000 2.013 467 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 467 L C 2.564 179.451 176.870 0.029 0.000 1.073 467 L CA 1.836 56.726 54.840 0.083 0.000 0.753 467 L CB -0.531 41.633 42.059 0.174 0.000 0.890 467 L HN 0.300 nan 8.230 nan 0.000 0.432 468 M N -1.773 117.773 119.600 -0.090 0.000 2.108 468 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 468 M C 2.063 178.289 176.300 -0.123 0.000 1.066 468 M CA 2.032 57.162 55.300 -0.282 0.000 1.107 468 M CB -0.118 32.294 32.600 -0.314 0.000 1.356 468 M HN 0.174 nan 8.290 nan 0.000 0.406 469 V N 0.780 120.672 119.914 -0.037 0.000 2.332 469 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 469 V C 2.203 178.331 176.094 0.057 0.000 1.055 469 V CA 2.282 64.591 62.300 0.015 0.000 1.038 469 V CB -1.116 30.724 31.823 0.028 0.000 0.651 469 V HN 0.650 nan 8.190 nan 0.000 0.450 470 F N 0.733 120.643 119.950 -0.066 0.000 2.113 470 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 470 F C 2.110 177.895 175.800 -0.025 0.000 1.103 470 F CA 1.580 59.551 58.000 -0.048 0.000 1.248 470 F CB -0.425 38.446 39.000 -0.215 0.000 0.999 470 F HN 0.075 nan 8.300 nan 0.000 0.475 471 I N 0.428 120.777 120.570 -0.369 0.000 2.315 471 I HA -0.337 3.833 4.170 -0.000 0.000 0.251 471 I C 2.349 178.221 176.117 -0.408 0.000 1.125 471 I CA 1.548 62.559 61.300 -0.482 0.000 1.392 471 I CB -0.468 37.414 38.000 -0.196 0.000 1.065 471 I HN 0.250 nan 8.210 nan 0.000 0.424 472 I N -1.093 119.336 120.570 -0.236 0.000 2.480 472 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 472 I C 2.386 178.494 176.117 -0.014 0.000 1.124 472 I CA 0.791 61.984 61.300 -0.178 0.000 1.444 472 I CB -0.356 37.667 38.000 0.038 0.000 1.098 472 I HN 0.390 nan 8.210 nan 0.000 0.428 473 W N 2.551 123.767 121.300 -0.139 0.000 2.335 473 W HA -0.256 4.404 4.660 -0.000 0.000 0.311 473 W C 2.435 178.839 176.519 -0.191 0.000 1.213 473 W CA 1.764 59.062 57.345 -0.077 0.000 1.274 473 W CB -0.248 29.140 29.460 -0.120 0.000 1.148 473 W HN 0.041 nan 8.180 nan 0.000 0.498 474 E N 0.506 120.351 120.200 -0.592 0.000 2.209 474 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 474 E C 2.026 178.279 176.600 -0.580 0.000 0.993 474 E CA 1.580 57.480 56.400 -0.833 0.000 0.819 474 E CB -0.368 28.867 29.700 -0.776 0.000 0.745 474 E HN 0.369 nan 8.360 nan 0.000 0.477 475 A N -0.199 122.359 122.820 -0.436 0.000 1.898 475 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 475 A C 1.982 179.343 177.584 -0.372 0.000 1.183 475 A CA 0.704 52.544 52.037 -0.329 0.000 0.622 475 A CB -0.788 18.014 19.000 -0.331 0.000 0.824 475 A HN 0.274 nan 8.150 nan 0.000 0.444 476 F N -0.004 119.765 119.950 -0.302 0.000 2.325 476 F HA 0.023 4.550 4.527 -0.000 0.000 0.299 476 F C 2.651 178.127 175.800 -0.540 0.000 1.090 476 F CA 0.583 58.348 58.000 -0.391 0.000 1.392 476 F CB 0.052 38.955 39.000 -0.162 0.000 1.053 476 F HN 0.274 nan 8.300 nan 0.000 0.521 477 A N -0.990 121.509 122.820 -0.535 0.000 1.968 477 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 477 A C 2.252 179.589 177.584 -0.411 0.000 1.169 477 A CA 1.890 53.549 52.037 -0.631 0.000 0.638 477 A CB -0.643 17.584 19.000 -1.288 0.000 0.812 477 A HN 0.271 nan 8.150 nan 0.000 0.446 478 S N -0.982 114.486 115.700 -0.387 0.000 2.456 478 S HA 0.084 4.554 4.470 -0.000 0.000 0.224 478 S C 0.345 174.823 174.600 -0.203 0.000 1.035 478 S CA 0.319 58.375 58.200 -0.239 0.000 0.940 478 S CB -0.044 63.046 63.200 -0.183 0.000 0.799 478 S HN 0.578 nan 8.310 nan 0.000 0.508 479 K N 1.390 121.582 120.400 -0.347 0.000 3.393 479 K HA -0.165 4.155 4.320 -0.000 0.000 0.272 479 K C -0.974 175.653 176.600 0.045 0.000 1.004 479 K CA 0.296 56.391 56.287 -0.320 0.000 0.764 479 K CB -1.253 31.134 32.500 -0.187 0.000 1.373 479 K HN 0.373 nan 8.250 nan 0.000 0.458 480 R N 1.901 122.448 120.500 0.078 0.000 2.612 480 R HA 0.071 4.411 4.340 -0.000 0.000 0.273 480 R C -0.051 176.387 176.300 0.229 0.000 1.376 480 R CA -0.069 56.108 56.100 0.127 0.000 1.171 480 R CB 0.210 30.557 30.300 0.078 0.000 1.151 480 R HN 0.269 nan 8.270 nan 0.000 0.560 481 E N 1.603 121.934 120.200 0.220 0.000 2.376 481 E HA 0.024 4.374 4.350 -0.000 0.000 0.266 481 E C 0.015 176.650 176.600 0.058 0.000 1.009 481 E CA -0.236 56.242 56.400 0.131 0.000 0.902 481 E CB 1.124 30.873 29.700 0.081 0.000 0.972 481 E HN 0.171 nan 8.360 nan 0.000 0.439 482 V N 4.806 124.728 119.914 0.014 0.000 2.763 482 V HA -0.098 4.022 4.120 -0.000 0.000 0.306 482 V C 1.197 177.303 176.094 0.020 0.000 1.059 482 V CA 0.677 62.988 62.300 0.019 0.000 1.138 482 V CB 0.596 32.433 31.823 0.023 0.000 0.940 482 V HN 0.709 nan 8.190 nan 0.000 0.489 483 L N 2.512 123.747 121.223 0.020 0.000 2.488 483 L HA 0.274 4.614 4.340 -0.000 0.000 0.186 483 L C 0.946 177.826 176.870 0.017 0.000 1.124 483 L CA 0.722 55.573 54.840 0.019 0.000 0.838 483 L CB 0.458 42.527 42.059 0.016 0.000 1.107 483 L HN 0.680 nan 8.230 nan 0.000 0.494 484 T N -0.656 113.898 114.554 0.001 0.000 2.903 484 T HA 0.599 4.949 4.350 -0.000 0.000 0.299 484 T C -1.369 173.295 174.700 -0.060 0.000 1.093 484 T CA -0.315 61.778 62.100 -0.012 0.000 1.002 484 T CB 2.181 71.044 68.868 -0.009 0.000 1.127 484 T HN -0.221 nan 8.240 nan 0.000 0.488 485 V N 3.086 122.944 119.914 -0.093 0.000 2.735 485 V HA 0.470 4.590 4.120 -0.000 0.000 0.310 485 V C -0.323 175.678 176.094 -0.156 0.000 1.061 485 V CA -0.815 61.356 62.300 -0.215 0.000 0.913 485 V CB 2.187 33.720 31.823 -0.483 0.000 1.005 485 V HN 0.908 nan 8.190 nan 0.000 0.428 486 D N 2.111 122.420 120.400 -0.151 0.000 2.383 486 D HA 0.440 5.080 4.640 -0.000 0.000 0.248 486 D C 0.819 177.012 176.300 -0.179 0.000 1.170 486 D CA 0.117 54.027 54.000 -0.150 0.000 0.977 486 D CB 0.883 41.573 40.800 -0.183 0.000 1.120 486 D HN 0.531 nan 8.370 nan 0.000 0.481 487 L N 0.387 121.504 121.223 -0.177 0.000 4.040 487 L HA -0.305 4.035 4.340 -0.000 0.000 0.410 487 L C 1.609 178.487 176.870 0.014 0.000 1.187 487 L CA 0.718 55.463 54.840 -0.157 0.000 0.956 487 L CB -2.390 39.411 42.059 -0.431 0.000 2.022 487 L HN 0.595 nan 8.230 nan 0.000 0.897 488 T N -5.364 109.217 114.554 0.045 0.000 2.962 488 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 488 T C 1.648 176.440 174.700 0.154 0.000 1.088 488 T CA 1.429 63.618 62.100 0.148 0.000 1.127 488 T CB -0.412 68.547 68.868 0.152 0.000 0.883 488 T HN 0.581 nan 8.240 nan 0.000 0.493 489 T N 0.437 115.047 114.554 0.094 0.000 3.072 489 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 489 T C 1.558 176.324 174.700 0.110 0.000 1.127 489 T CA 1.114 63.270 62.100 0.094 0.000 1.107 489 T CB -0.701 68.199 68.868 0.053 0.000 0.910 489 T HN 0.645 nan 8.240 nan 0.000 0.513 490 T N -0.904 113.724 114.554 0.124 0.000 3.339 490 T HA 0.358 4.708 4.350 -0.000 0.000 0.292 490 T C 0.033 174.876 174.700 0.239 0.000 1.012 490 T CA -0.821 61.365 62.100 0.143 0.000 0.937 490 T CB -0.114 68.804 68.868 0.083 0.000 1.164 490 T HN 0.246 nan 8.240 nan 0.000 0.509 491 N N 1.274 120.166 118.700 0.320 0.000 2.732 491 N HA 0.141 4.881 4.740 -0.000 0.000 0.235 491 N C 0.367 176.172 175.510 0.492 0.000 1.466 491 N CA -0.240 53.105 53.050 0.493 0.000 0.751 491 N CB 1.629 40.507 38.487 0.651 0.000 1.317 491 N HN 0.064 nan 8.380 nan 0.000 0.525 492 L N 1.996 123.445 121.223 0.376 0.000 2.129 492 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 492 L C 2.396 179.487 176.870 0.368 0.000 1.087 492 L CA 2.063 57.109 54.840 0.343 0.000 0.757 492 L CB -0.091 42.134 42.059 0.277 0.000 0.896 492 L HN 0.431 nan 8.230 nan 0.000 0.434 493 E N -1.653 118.744 120.200 0.327 0.000 2.338 493 E HA -0.263 4.087 4.350 -0.000 0.000 0.197 493 E C 1.710 178.352 176.600 0.070 0.000 1.007 493 E CA 1.307 57.824 56.400 0.194 0.000 0.849 493 E CB -0.889 28.854 29.700 0.072 0.000 0.774 493 E HN 0.712 nan 8.360 nan 0.000 0.506 494 W N 0.344 121.777 121.300 0.222 0.000 2.905 494 W HA 0.168 4.828 4.660 0.000 0.000 0.251 494 W C 1.703 178.291 176.519 0.114 0.000 1.305 494 W CA -0.456 56.973 57.345 0.141 0.000 1.465 494 W CB 0.012 29.539 29.460 0.113 0.000 1.122 494 W HN 0.084 nan 8.180 nan 0.000 0.659 495 L N 0.911 122.331 121.223 0.328 0.000 2.552 495 L HA 0.069 4.409 4.340 -0.000 0.000 0.227 495 L C 1.150 178.096 176.870 0.128 0.000 1.146 495 L CA 1.469 56.448 54.840 0.232 0.000 0.858 495 L CB -0.521 41.683 42.059 0.242 0.000 0.969 495 L HN -0.015 nan 8.230 nan 0.000 0.451 496 N N 0.014 118.768 118.700 0.089 0.000 2.214 496 N HA 0.252 4.992 4.740 -0.000 0.000 0.214 496 N C 0.637 176.174 175.510 0.045 0.000 1.132 496 N CA 0.747 53.799 53.050 0.003 0.000 0.856 496 N CB 0.672 39.093 38.487 -0.109 0.000 1.020 496 N HN 0.337 nan 8.380 nan 0.000 0.509 497 G N 0.439 109.301 108.800 0.104 0.000 2.757 497 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.638 497 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.638 497 G C -0.916 174.038 174.900 0.091 0.000 1.344 497 G CA -0.791 44.368 45.100 0.097 0.000 0.855 497 G HN 0.270 nan 8.290 nan 0.000 0.537 498 C N 2.547 121.881 119.300 0.057 0.000 2.344 498 C HA 0.701 5.161 4.460 -0.000 0.000 0.326 498 C C -1.544 173.408 174.990 -0.063 0.000 1.201 498 C CA -0.745 58.275 59.018 0.003 0.000 1.410 498 C CB 1.204 28.957 27.740 0.023 0.000 2.070 498 C HN 0.790 nan 8.230 nan 0.000 0.445 499 P HA 0.378 nan 4.420 nan 0.000 0.279 499 P C -2.613 174.733 177.300 0.076 0.000 1.252 499 P CA -1.235 61.886 63.100 0.034 0.000 0.811 499 P CB 0.255 32.014 31.700 0.098 0.000 1.035 500 P HA 0.248 nan 4.420 nan 0.000 0.274 500 P C -2.340 174.990 177.300 0.049 0.000 1.246 500 P CA -1.465 61.680 63.100 0.075 0.000 0.795 500 P CB -1.093 30.664 31.700 0.095 0.000 1.006 501 P HA 0.007 nan 4.420 nan 0.000 0.274 501 P C 0.671 177.975 177.300 0.007 0.000 1.260 501 P CA -0.102 63.019 63.100 0.035 0.000 0.793 501 P CB 0.390 32.113 31.700 0.039 0.000 1.048 502 Y N 0.283 120.501 120.300 -0.138 0.000 2.145 502 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 502 Y C 0.938 176.646 175.900 -0.319 0.000 1.145 502 Y CA 1.596 59.527 58.100 -0.282 0.000 1.148 502 Y CB -0.457 37.807 38.460 -0.327 0.000 0.981 502 Y HN 0.363 nan 8.280 nan 0.000 0.507 503 H N 0.021 119.122 119.070 0.052 0.000 2.488 503 H HA 0.367 4.923 4.556 -0.000 0.000 0.322 503 H C -0.311 174.997 175.328 -0.032 0.000 1.078 503 H CA -0.185 55.856 56.048 -0.011 0.000 1.260 503 H CB 1.061 30.861 29.762 0.062 0.000 1.425 503 H HN 0.053 nan 8.280 nan 0.000 0.471 504 T N -0.110 114.499 114.554 0.091 0.000 2.924 504 T HA 0.329 4.679 4.350 -0.000 0.000 0.291 504 T C -0.310 174.389 174.700 -0.002 0.000 1.045 504 T CA -0.958 61.077 62.100 -0.109 0.000 1.015 504 T CB 1.049 69.772 68.868 -0.242 0.000 1.103 504 T HN 0.582 nan 8.240 nan 0.000 0.496 505 F N -0.631 119.358 119.950 0.064 0.000 3.074 505 F HA -0.211 4.316 4.527 -0.000 0.000 0.289 505 F C 1.286 177.099 175.800 0.022 0.000 0.863 505 F CA 0.367 58.391 58.000 0.040 0.000 1.121 505 F CB -2.663 36.352 39.000 0.026 0.000 1.169 505 F HN 0.810 nan 8.300 nan 0.000 0.570 506 E N 0.510 120.770 120.200 0.100 0.000 2.085 506 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 506 E C 1.150 177.785 176.600 0.059 0.000 0.994 506 E CA 1.468 57.895 56.400 0.045 0.000 0.801 506 E CB 0.023 29.716 29.700 -0.012 0.000 0.743 506 E HN 0.647 nan 8.360 nan 0.000 0.453 507 E N 1.945 122.190 120.200 0.076 0.000 2.109 507 E HA 0.149 4.499 4.350 -0.000 0.000 0.278 507 E C -2.405 174.294 176.600 0.164 0.000 0.954 507 E CA -2.746 53.709 56.400 0.090 0.000 0.779 507 E CB 0.867 30.607 29.700 0.067 0.000 1.093 507 E HN -0.167 nan 8.360 nan 0.000 0.401 508 P HA -0.011 nan 4.420 nan 0.000 0.270 508 P C -0.217 177.200 177.300 0.195 0.000 1.223 508 P CA -0.274 62.927 63.100 0.169 0.000 0.785 508 P CB 0.405 32.146 31.700 0.069 0.000 0.923 509 T N -0.907 113.760 114.554 0.190 0.000 2.855 509 T HA 0.089 4.439 4.350 -0.000 0.000 0.314 509 T C -0.427 174.373 174.700 0.166 0.000 1.077 509 T CA -0.119 62.098 62.100 0.194 0.000 1.095 509 T CB 0.009 68.955 68.868 0.130 0.000 0.987 509 T HN 0.372 nan 8.240 nan 0.000 0.546 510 Y N 1.203 121.538 120.300 0.059 0.000 2.331 510 Y HA 0.566 5.116 4.550 -0.000 0.000 0.338 510 Y C -1.265 174.654 175.900 0.031 0.000 0.992 510 Y CA -1.080 57.042 58.100 0.038 0.000 1.121 510 Y CB 1.075 39.559 38.460 0.039 0.000 1.184 510 Y HN 0.602 nan 8.280 nan 0.000 0.469 511 V N 6.500 126.205 119.914 -0.349 0.000 2.612 511 V HA 0.275 4.395 4.120 -0.000 0.000 0.301 511 V C -0.699 175.139 176.094 -0.426 0.000 1.059 511 V CA -1.203 60.957 62.300 -0.233 0.000 0.886 511 V CB 1.685 33.444 31.823 -0.107 0.000 1.007 511 V HN 0.880 nan 8.190 nan 0.000 0.426 512 N N 2.479 120.986 118.700 -0.322 0.000 2.483 512 N HA 0.444 5.184 4.740 -0.000 0.000 0.269 512 N C 0.814 176.255 175.510 -0.116 0.000 1.209 512 N CA -0.617 52.294 53.050 -0.233 0.000 0.969 512 N CB 1.514 39.988 38.487 -0.020 0.000 1.173 512 N HN 0.603 nan 8.380 nan 0.000 0.475 513 L N 1.196 122.369 121.223 -0.084 0.000 2.202 513 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 513 L C 0.464 177.325 176.870 -0.015 0.000 1.083 513 L CA 0.772 55.587 54.840 -0.042 0.000 0.790 513 L CB -0.125 41.913 42.059 -0.036 0.000 0.942 513 L HN 0.682 nan 8.230 nan 0.000 0.452 514 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 32.508 32.500 0.013 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543