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 3ag4_1_A DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.819 175.800 0.032 0.000 0.967 2 F CA 0.000 58.054 58.000 0.090 0.000 1.383 2 F CB 0.000 39.051 39.000 0.084 0.000 1.145 3 I N 1.675 122.267 120.570 0.037 0.000 2.208 3 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 3 I C 1.724 177.478 176.117 -0.604 0.000 1.097 3 I CA 1.815 62.939 61.300 -0.293 0.000 1.363 3 I CB -0.516 37.265 38.000 -0.364 0.000 1.051 3 I HN 0.301 nan 8.210 nan 0.000 0.413 4 N N 0.630 119.079 118.700 -0.417 0.000 2.120 4 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 4 N C 1.896 177.258 175.510 -0.248 0.000 1.024 4 N CA 1.261 54.151 53.050 -0.267 0.000 0.852 4 N CB -0.390 38.041 38.487 -0.093 0.000 1.003 4 N HN 0.322 nan 8.380 nan 0.000 0.424 5 R N -0.999 119.272 120.500 -0.382 0.000 2.073 5 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 5 R C 1.274 177.103 176.300 -0.785 0.000 1.120 5 R CA 1.213 56.924 56.100 -0.647 0.000 0.967 5 R CB -0.088 29.679 30.300 -0.889 0.000 0.862 5 R HN 0.273 nan 8.270 nan 0.000 0.436 6 W N -1.252 119.832 121.300 -0.360 0.000 2.993 6 W HA 0.193 4.853 4.660 -0.000 0.000 0.290 6 W C 1.059 177.572 176.519 -0.010 0.000 1.203 6 W CA -0.602 56.556 57.345 -0.313 0.000 1.582 6 W CB 0.496 29.523 29.460 -0.722 0.000 1.033 6 W HN 0.053 nan 8.180 nan 0.000 0.594 7 L N -1.512 119.744 121.223 0.055 0.000 2.575 7 L HA 0.206 4.546 4.340 -0.000 0.000 0.228 7 L C 0.817 177.872 176.870 0.308 0.000 1.075 7 L CA 0.944 55.842 54.840 0.097 0.000 0.867 7 L CB -0.411 41.481 42.059 -0.278 0.000 1.097 7 L HN -0.142 nan 8.230 nan 0.000 0.485 8 F N -1.252 118.702 119.950 0.007 0.000 2.668 8 F HA 0.377 4.904 4.527 -0.000 0.000 0.301 8 F C 1.288 177.086 175.800 -0.003 0.000 1.106 8 F CA -1.105 56.887 58.000 -0.014 0.000 1.289 8 F CB -0.827 38.144 39.000 -0.048 0.000 1.006 8 F HN -0.213 nan 8.300 nan 0.000 0.535 9 S N 0.857 116.659 115.700 0.170 0.000 2.558 9 S HA 0.127 4.597 4.470 -0.000 0.000 0.291 9 S C 1.186 175.813 174.600 0.046 0.000 1.306 9 S CA 0.895 59.110 58.200 0.025 0.000 1.056 9 S CB 0.329 63.483 63.200 -0.077 0.000 0.836 9 S HN 0.496 nan 8.310 nan 0.000 0.504 10 T N 1.139 115.691 114.554 -0.004 0.000 3.337 10 T HA 0.292 4.642 4.350 -0.000 0.000 0.299 10 T C -0.135 174.516 174.700 -0.082 0.000 0.998 10 T CA -0.655 61.441 62.100 -0.007 0.000 0.948 10 T CB -0.397 68.489 68.868 0.030 0.000 1.170 10 T HN 0.534 nan 8.240 nan 0.000 0.508 11 N N 1.369 119.946 118.700 -0.205 0.000 2.400 11 N HA 0.165 4.905 4.740 -0.000 0.000 0.288 11 N C 0.952 176.223 175.510 -0.399 0.000 1.024 11 N CA -0.270 52.536 53.050 -0.407 0.000 0.894 11 N CB 1.481 39.476 38.487 -0.819 0.000 1.173 11 N HN 0.563 nan 8.380 nan 0.000 0.487 12 H N 2.747 121.564 119.070 -0.421 0.000 2.457 12 H HA 0.065 4.621 4.556 -0.000 0.000 0.294 12 H C 1.071 176.041 175.328 -0.596 0.000 1.064 12 H CA 1.209 57.021 56.048 -0.393 0.000 1.330 12 H CB 0.370 29.944 29.762 -0.313 0.000 1.395 12 H HN 0.481 nan 8.280 nan 0.000 0.541 13 K N 0.279 119.829 120.400 -1.417 0.000 2.021 13 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 13 K C 1.595 177.488 176.600 -1.179 0.000 1.047 13 K CA 1.211 56.385 56.287 -1.857 0.000 0.943 13 K CB 0.129 31.492 32.500 -1.895 0.000 0.725 13 K HN 0.215 nan 8.250 nan 0.000 0.439 14 D N 1.105 121.055 120.400 -0.750 0.000 2.144 14 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 14 D C 1.806 177.970 176.300 -0.226 0.000 0.984 14 D CA 1.030 54.812 54.000 -0.363 0.000 0.834 14 D CB -0.104 40.338 40.800 -0.596 0.000 0.955 14 D HN 0.136 nan 8.370 nan 0.000 0.465 15 I N 0.569 120.952 120.570 -0.312 0.000 2.315 15 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 15 I C 2.456 178.519 176.117 -0.090 0.000 1.117 15 I CA 1.067 62.228 61.300 -0.233 0.000 1.404 15 I CB -0.303 37.628 38.000 -0.115 0.000 1.071 15 I HN 0.022 nan 8.210 nan 0.000 0.419 16 G N 0.042 108.739 108.800 -0.172 0.000 2.440 16 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 16 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 16 G C 1.659 176.606 174.900 0.078 0.000 1.154 16 G CA 1.439 46.513 45.100 -0.044 0.000 0.767 16 G HN 0.260 nan 8.290 nan 0.000 0.552 17 T N 1.146 115.720 114.554 0.033 0.000 2.777 17 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 17 T C 2.439 177.156 174.700 0.029 0.000 1.040 17 T CA 0.792 62.996 62.100 0.173 0.000 1.141 17 T CB -0.175 68.852 68.868 0.264 0.000 0.868 17 T HN 0.148 nan 8.240 nan 0.000 0.444 18 L N -0.510 120.622 121.223 -0.152 0.000 2.017 18 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 18 L C 2.368 179.086 176.870 -0.252 0.000 1.073 18 L CA 1.537 56.098 54.840 -0.465 0.000 0.745 18 L CB -0.633 40.618 42.059 -1.347 0.000 0.894 18 L HN 0.254 nan 8.230 nan 0.000 0.432 19 Y N 0.192 120.387 120.300 -0.174 0.000 2.193 19 Y HA -0.282 4.268 4.550 -0.000 0.000 0.285 19 Y C 2.413 178.457 175.900 0.240 0.000 1.166 19 Y CA 1.481 59.697 58.100 0.194 0.000 1.181 19 Y CB -0.453 38.084 38.460 0.128 0.000 0.976 19 Y HN 0.090 nan 8.280 nan 0.000 0.520 20 L N -1.227 120.171 121.223 0.291 0.000 2.056 20 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 20 L C 2.263 179.276 176.870 0.238 0.000 1.078 20 L CA 0.993 55.960 54.840 0.212 0.000 0.749 20 L CB -0.716 41.415 42.059 0.121 0.000 0.901 20 L HN 0.221 nan 8.230 nan 0.000 0.433 21 L N -1.087 120.263 121.223 0.212 0.000 1.994 21 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 21 L C 2.586 179.625 176.870 0.280 0.000 1.071 21 L CA 1.476 56.435 54.840 0.198 0.000 0.745 21 L CB -0.595 41.523 42.059 0.099 0.000 0.892 21 L HN 0.151 nan 8.230 nan 0.000 0.431 22 F N 0.818 120.903 119.950 0.224 0.000 2.065 22 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 22 F C 2.226 178.257 175.800 0.384 0.000 1.112 22 F CA 1.856 60.041 58.000 0.309 0.000 1.212 22 F CB -0.589 38.622 39.000 0.352 0.000 0.975 22 F HN 0.001 nan 8.300 nan 0.000 0.476 23 G N -0.589 108.524 108.800 0.522 0.000 2.408 23 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 23 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 23 G C 1.763 176.793 174.900 0.217 0.000 1.150 23 G CA 0.687 46.018 45.100 0.384 0.000 0.776 23 G HN 0.633 nan 8.290 nan 0.000 0.542 24 A N -0.024 122.910 122.820 0.191 0.000 1.902 24 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 24 A C 2.138 179.798 177.584 0.126 0.000 1.181 24 A CA 1.527 53.629 52.037 0.108 0.000 0.623 24 A CB -0.717 18.332 19.000 0.082 0.000 0.818 24 A HN 0.523 nan 8.150 nan 0.000 0.443 25 W N 0.519 121.815 121.300 -0.007 0.000 2.355 25 W HA -0.131 4.529 4.660 -0.000 0.000 0.309 25 W C 2.561 179.084 176.519 0.007 0.000 1.206 25 W CA 2.341 59.666 57.345 -0.033 0.000 1.284 25 W CB -0.207 29.203 29.460 -0.084 0.000 1.145 25 W HN 0.367 nan 8.180 nan 0.000 0.502 26 A N 0.468 123.418 122.820 0.217 0.000 1.908 26 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 26 A C 2.214 179.841 177.584 0.072 0.000 1.181 26 A CA 2.173 54.344 52.037 0.223 0.000 0.627 26 A CB -1.741 17.356 19.000 0.161 0.000 0.818 26 A HN 0.424 nan 8.150 nan 0.000 0.445 27 G N -1.090 107.741 108.800 0.052 0.000 2.442 27 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 27 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 27 G C 1.440 176.324 174.900 -0.026 0.000 1.141 27 G CA 1.365 46.482 45.100 0.029 0.000 0.763 27 G HN 0.359 nan 8.290 nan 0.000 0.554 28 M N 0.337 119.864 119.600 -0.122 0.000 2.254 28 M HA 0.058 4.538 4.480 -0.000 0.000 0.265 28 M C 2.712 178.895 176.300 -0.196 0.000 1.066 28 M CA 0.535 55.728 55.300 -0.179 0.000 1.123 28 M CB -0.856 31.561 32.600 -0.305 0.000 1.388 28 M HN 0.124 nan 8.290 nan 0.000 0.425 29 V N -0.056 119.710 119.914 -0.247 0.000 2.307 29 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 29 V C 2.573 178.682 176.094 0.025 0.000 1.045 29 V CA 2.013 64.224 62.300 -0.149 0.000 1.024 29 V CB -1.604 30.178 31.823 -0.068 0.000 0.651 29 V HN 0.524 nan 8.190 nan 0.000 0.449 30 G N -0.775 108.075 108.800 0.083 0.000 2.448 30 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 30 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 30 G C 1.667 176.699 174.900 0.220 0.000 1.135 30 G CA 1.340 46.544 45.100 0.173 0.000 0.784 30 G HN 0.461 nan 8.290 nan 0.000 0.543 31 T N 1.623 116.244 114.554 0.111 0.000 2.737 31 T HA 0.039 4.389 4.350 -0.000 0.000 0.265 31 T C 2.868 177.593 174.700 0.041 0.000 1.038 31 T CA 1.412 63.566 62.100 0.090 0.000 1.144 31 T CB -0.389 68.502 68.868 0.039 0.000 0.866 31 T HN 0.342 nan 8.240 nan 0.000 0.434 32 A N 1.289 124.109 122.820 0.001 0.000 1.917 32 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 32 A C 2.306 179.900 177.584 0.016 0.000 1.182 32 A CA 1.454 53.481 52.037 -0.017 0.000 0.633 32 A CB -0.993 17.979 19.000 -0.046 0.000 0.819 32 A HN 0.476 nan 8.150 nan 0.000 0.448 33 L N 0.231 121.490 121.223 0.060 0.000 2.046 33 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 33 L C 3.054 179.909 176.870 -0.025 0.000 1.077 33 L CA 1.718 56.599 54.840 0.068 0.000 0.747 33 L CB -0.464 41.697 42.059 0.168 0.000 0.896 33 L HN 0.633 nan 8.230 nan 0.000 0.432 34 S N -0.291 115.361 115.700 -0.081 0.000 2.423 34 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 34 S C 1.892 176.438 174.600 -0.091 0.000 1.014 34 S CA 0.873 58.894 58.200 -0.299 0.000 0.965 34 S CB -0.481 62.597 63.200 -0.204 0.000 0.785 34 S HN 0.382 nan 8.310 nan 0.000 0.495 35 L N 0.238 121.452 121.223 -0.015 0.000 2.270 35 L HA 0.198 4.538 4.340 -0.000 0.000 0.210 35 L C 2.430 179.347 176.870 0.078 0.000 1.104 35 L CA 0.486 55.352 54.840 0.044 0.000 0.804 35 L CB -0.377 41.686 42.059 0.006 0.000 0.937 35 L HN 0.294 nan 8.230 nan 0.000 0.450 36 L N -0.514 120.737 121.223 0.047 0.000 2.093 36 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 36 L C 2.400 179.339 176.870 0.115 0.000 1.085 36 L CA 1.227 56.114 54.840 0.078 0.000 0.755 36 L CB -0.307 41.786 42.059 0.057 0.000 0.904 36 L HN 0.195 nan 8.230 nan 0.000 0.435 37 I N -0.648 119.960 120.570 0.064 0.000 2.099 37 I HA -0.302 3.868 4.170 -0.000 0.000 0.239 37 I C 2.718 178.959 176.117 0.207 0.000 1.066 37 I CA 1.290 62.678 61.300 0.147 0.000 1.324 37 I CB -0.332 37.666 38.000 -0.004 0.000 1.037 37 I HN 0.229 nan 8.210 nan 0.000 0.401 38 R N 0.624 121.186 120.500 0.103 0.000 2.148 38 R HA -0.054 4.286 4.340 -0.000 0.000 0.227 38 R C 2.231 178.584 176.300 0.088 0.000 1.103 38 R CA 1.265 57.410 56.100 0.076 0.000 0.983 38 R CB -0.458 29.851 30.300 0.014 0.000 0.874 38 R HN 0.393 nan 8.270 nan 0.000 0.451 39 A N 1.052 123.948 122.820 0.127 0.000 1.929 39 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 39 A C 2.070 179.707 177.584 0.089 0.000 1.176 39 A CA 1.415 53.519 52.037 0.111 0.000 0.628 39 A CB -0.240 18.853 19.000 0.155 0.000 0.816 39 A HN 0.204 nan 8.150 nan 0.000 0.444 40 E N 0.425 120.702 120.200 0.129 0.000 2.077 40 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 40 E C 1.567 178.191 176.600 0.040 0.000 0.989 40 E CA 1.352 57.808 56.400 0.093 0.000 0.800 40 E CB -0.363 29.446 29.700 0.182 0.000 0.746 40 E HN 0.580 nan 8.360 nan 0.000 0.452 41 L N -0.844 120.440 121.223 0.101 0.000 2.592 41 L HA 0.253 4.593 4.340 -0.000 0.000 0.227 41 L C 2.049 179.023 176.870 0.172 0.000 1.127 41 L CA 0.404 55.345 54.840 0.169 0.000 0.884 41 L CB 0.017 42.185 42.059 0.182 0.000 1.065 41 L HN 0.220 nan 8.230 nan 0.000 0.457 42 G N 0.175 109.019 108.800 0.072 0.000 2.572 42 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.216 42 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.216 42 G C 0.532 175.453 174.900 0.034 0.000 1.133 42 G CA 0.136 45.244 45.100 0.014 0.000 0.791 42 G HN 0.503 nan 8.290 nan 0.000 0.538 43 Q N -0.731 119.104 119.800 0.059 0.000 2.462 43 Q HA 0.552 4.892 4.340 -0.000 0.000 0.285 43 Q C -3.265 172.744 176.000 0.016 0.000 1.035 43 Q CA -2.253 53.586 55.803 0.060 0.000 0.799 43 Q CB 1.930 30.668 28.738 -0.000 0.000 1.452 43 Q HN -0.148 nan 8.270 nan 0.000 0.404 44 P HA 0.377 nan 4.420 nan 0.000 0.268 44 P C 0.085 177.275 177.300 -0.183 0.000 1.205 44 P CA 1.316 64.287 63.100 -0.214 0.000 0.771 44 P CB 0.782 32.442 31.700 -0.067 0.000 0.858 45 G N 0.698 109.349 108.800 -0.248 0.000 2.384 45 G HA2 0.018 3.978 3.960 -0.000 0.000 0.204 45 G HA3 0.018 3.978 3.960 -0.000 0.000 0.204 45 G C -1.085 173.719 174.900 -0.160 0.000 1.237 45 G CA -0.322 44.680 45.100 -0.163 0.000 1.060 45 G HN 0.693 nan 8.290 nan 0.000 0.514 46 T N -0.271 114.219 114.554 -0.106 0.000 2.829 46 T HA 0.589 4.939 4.350 -0.000 0.000 0.280 46 T C 0.899 175.571 174.700 -0.048 0.000 0.999 46 T CA 0.461 62.509 62.100 -0.087 0.000 0.983 46 T CB 1.421 70.246 68.868 -0.071 0.000 0.968 46 T HN 1.424 nan 8.240 nan 0.000 0.446 47 L N 5.086 126.292 121.223 -0.028 0.000 2.356 47 L HA 0.504 4.844 4.340 -0.000 0.000 0.193 47 L C 1.795 178.678 176.870 0.022 0.000 1.087 47 L CA 1.064 55.906 54.840 0.004 0.000 0.817 47 L CB -0.398 41.677 42.059 0.026 0.000 1.035 47 L HN 0.727 nan 8.230 nan 0.000 0.482 48 L N 0.044 121.292 121.223 0.041 0.000 2.313 48 L HA 0.194 4.534 4.340 -0.000 0.000 0.214 48 L C 1.569 178.460 176.870 0.035 0.000 1.119 48 L CA 0.731 55.604 54.840 0.055 0.000 0.809 48 L CB -0.897 41.219 42.059 0.096 0.000 0.933 48 L HN 0.603 nan 8.230 nan 0.000 0.449 49 G N 0.463 109.272 108.800 0.015 0.000 2.168 49 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 49 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 49 G C -0.028 174.882 174.900 0.017 0.000 0.997 49 G CA 0.620 45.723 45.100 0.005 0.000 0.708 49 G HN 0.440 nan 8.290 nan 0.000 0.520 50 D N -0.516 119.906 120.400 0.037 0.000 2.318 50 D HA 0.287 4.927 4.640 -0.000 0.000 0.233 50 D C 0.313 176.664 176.300 0.085 0.000 1.348 50 D CA -0.515 53.515 54.000 0.050 0.000 0.983 50 D CB 0.540 41.373 40.800 0.055 0.000 1.416 50 D HN -0.036 nan 8.370 nan 0.000 0.558 51 D N 1.695 122.136 120.400 0.069 0.000 2.323 51 D HA -0.109 4.531 4.640 -0.000 0.000 0.209 51 D C 1.612 178.003 176.300 0.152 0.000 0.973 51 D CA 0.466 54.534 54.000 0.114 0.000 0.874 51 D CB 0.560 41.380 40.800 0.034 0.000 0.930 51 D HN 0.401 nan 8.370 nan 0.000 0.521 52 Q N 0.977 120.839 119.800 0.104 0.000 2.124 52 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 52 Q C 1.994 178.073 176.000 0.131 0.000 0.977 52 Q CA 1.113 56.983 55.803 0.112 0.000 0.850 52 Q CB -0.252 28.530 28.738 0.072 0.000 0.901 52 Q HN 0.290 nan 8.270 nan 0.000 0.429 53 I N -0.492 120.152 120.570 0.123 0.000 2.252 53 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 53 I C 1.991 178.184 176.117 0.126 0.000 1.102 53 I CA 1.203 62.572 61.300 0.115 0.000 1.385 53 I CB -0.457 37.603 38.000 0.101 0.000 1.064 53 I HN 0.272 nan 8.210 nan 0.000 0.414 54 Y N 2.585 122.925 120.300 0.068 0.000 2.114 54 Y HA -0.342 4.208 4.550 -0.000 0.000 0.282 54 Y C 2.392 178.349 175.900 0.095 0.000 1.165 54 Y CA 2.002 60.147 58.100 0.076 0.000 1.148 54 Y CB -0.252 38.247 38.460 0.065 0.000 0.972 54 Y HN 0.211 nan 8.280 nan 0.000 0.504 55 N N -0.332 118.431 118.700 0.104 0.000 2.244 55 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 55 N C 1.871 177.393 175.510 0.019 0.000 1.016 55 N CA 1.436 54.523 53.050 0.062 0.000 0.866 55 N CB -0.514 38.067 38.487 0.156 0.000 0.980 55 N HN 0.319 nan 8.380 nan 0.000 0.430 56 V N 0.472 120.418 119.914 0.054 0.000 2.453 56 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 56 V C 2.367 178.490 176.094 0.048 0.000 1.048 56 V CA 0.904 63.250 62.300 0.076 0.000 1.049 56 V CB -0.357 31.529 31.823 0.105 0.000 0.672 56 V HN 0.044 nan 8.190 nan 0.000 0.457 57 V N -0.278 119.626 119.914 -0.015 0.000 2.295 57 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 57 V C 2.429 178.501 176.094 -0.037 0.000 1.049 57 V CA 1.963 64.246 62.300 -0.029 0.000 1.024 57 V CB -0.369 31.399 31.823 -0.091 0.000 0.648 57 V HN 0.389 nan 8.190 nan 0.000 0.447 58 V N 0.003 119.812 119.914 -0.175 0.000 2.233 58 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 58 V C 2.593 178.708 176.094 0.033 0.000 1.050 58 V CA 2.802 65.052 62.300 -0.083 0.000 1.010 58 V CB -1.202 30.530 31.823 -0.151 0.000 0.637 58 V HN 0.645 nan 8.190 nan 0.000 0.444 59 T N 0.598 115.152 114.554 0.001 0.000 2.624 59 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 59 T C 1.976 176.690 174.700 0.023 0.000 1.041 59 T CA 2.040 64.121 62.100 -0.031 0.000 1.159 59 T CB -0.572 68.313 68.868 0.029 0.000 0.863 59 T HN 0.603 nan 8.240 nan 0.000 0.434 60 A N 0.981 123.901 122.820 0.167 0.000 1.930 60 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 60 A C 2.014 179.730 177.584 0.221 0.000 1.175 60 A CA 2.101 54.305 52.037 0.277 0.000 0.627 60 A CB -0.868 18.280 19.000 0.246 0.000 0.815 60 A HN 0.706 nan 8.150 nan 0.000 0.443 61 H N 0.493 119.610 119.070 0.078 0.000 2.267 61 H HA -0.027 4.529 4.556 -0.000 0.000 0.297 61 H C 2.131 177.466 175.328 0.012 0.000 1.080 61 H CA 2.371 58.454 56.048 0.057 0.000 1.278 61 H CB -0.563 29.223 29.762 0.039 0.000 1.365 61 H HN 0.331 nan 8.280 nan 0.000 0.489 62 A N 0.042 122.697 122.820 -0.276 0.000 1.883 62 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 62 A C 2.312 179.704 177.584 -0.320 0.000 1.186 62 A CA 1.656 53.391 52.037 -0.504 0.000 0.624 62 A CB -1.174 17.513 19.000 -0.522 0.000 0.822 62 A HN 0.462 nan 8.150 nan 0.000 0.444 63 F N -0.201 119.752 119.950 0.004 0.000 2.171 63 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 63 F C 2.493 178.263 175.800 -0.051 0.000 1.090 63 F CA 0.945 59.020 58.000 0.125 0.000 1.293 63 F CB -0.818 38.256 39.000 0.124 0.000 1.013 63 F HN 0.023 nan 8.300 nan 0.000 0.486 64 V N -0.407 119.606 119.914 0.165 0.000 2.307 64 V HA -0.299 3.821 4.120 -0.000 0.000 0.245 64 V C 2.504 178.579 176.094 -0.031 0.000 1.045 64 V CA 1.428 63.793 62.300 0.107 0.000 1.024 64 V CB -0.506 31.435 31.823 0.197 0.000 0.651 64 V HN 0.187 nan 8.190 nan 0.000 0.449 65 M N -0.837 118.680 119.600 -0.139 0.000 2.117 65 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 65 M C 2.154 178.317 176.300 -0.228 0.000 1.065 65 M CA 1.989 57.180 55.300 -0.182 0.000 1.114 65 M CB -0.977 31.435 32.600 -0.314 0.000 1.361 65 M HN 0.281 nan 8.290 nan 0.000 0.408 66 I N -1.280 119.083 120.570 -0.345 0.000 2.235 66 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 66 I C 2.019 177.812 176.117 -0.540 0.000 1.085 66 I CA 1.229 62.214 61.300 -0.525 0.000 1.378 66 I CB -0.300 37.215 38.000 -0.808 0.000 1.076 66 I HN 0.056 nan 8.210 nan 0.000 0.415 67 F N -0.599 119.142 119.950 -0.348 0.000 2.473 67 F HA 0.021 4.548 4.527 -0.000 0.000 0.294 67 F C 1.679 177.202 175.800 -0.463 0.000 1.103 67 F CA 0.820 58.532 58.000 -0.480 0.000 1.442 67 F CB -0.058 38.449 39.000 -0.822 0.000 1.097 67 F HN -0.058 nan 8.300 nan 0.000 0.547 68 F N -2.421 117.634 119.950 0.176 0.000 2.712 68 F HA 0.191 4.718 4.527 -0.000 0.000 0.297 68 F C 1.946 177.878 175.800 0.220 0.000 1.114 68 F CA 0.068 58.194 58.000 0.209 0.000 1.305 68 F CB -0.329 38.519 39.000 -0.254 0.000 1.086 68 F HN -0.115 nan 8.300 nan 0.000 0.599 69 M N -0.451 119.263 119.600 0.190 0.000 2.751 69 M HA 0.112 4.592 4.480 -0.000 0.000 0.252 69 M C 1.899 178.284 176.300 0.142 0.000 1.264 69 M CA 1.231 56.636 55.300 0.175 0.000 1.237 69 M CB -0.447 32.211 32.600 0.096 0.000 1.242 69 M HN -0.061 nan 8.290 nan 0.000 0.525 70 V N 1.465 121.400 119.914 0.035 0.000 2.270 70 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 70 V C 2.577 178.694 176.094 0.039 0.000 1.043 70 V CA 1.926 64.236 62.300 0.017 0.000 1.014 70 V CB -0.670 31.099 31.823 -0.090 0.000 0.645 70 V HN 0.473 nan 8.190 nan 0.000 0.447 71 M N -0.504 119.089 119.600 -0.013 0.000 2.086 71 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 71 M C -0.096 176.259 176.300 0.091 0.000 1.067 71 M CA 2.272 57.576 55.300 0.007 0.000 1.116 71 M CB -1.468 31.115 32.600 -0.027 0.000 1.348 71 M HN 0.283 nan 8.290 nan 0.000 0.407 72 P HA -0.107 nan 4.420 nan 0.000 0.216 72 P C 1.408 178.839 177.300 0.219 0.000 1.153 72 P CA 1.314 64.593 63.100 0.299 0.000 0.848 72 P CB -0.102 31.956 31.700 0.598 0.000 0.787 73 I N -1.936 118.782 120.570 0.248 0.000 2.163 73 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 73 I C 2.472 178.749 176.117 0.268 0.000 1.081 73 I CA 1.628 63.066 61.300 0.229 0.000 1.353 73 I CB -0.442 37.711 38.000 0.256 0.000 1.054 73 I HN -0.083 nan 8.210 nan 0.000 0.407 74 M N -0.005 119.762 119.600 0.279 0.000 2.067 74 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 74 M C 2.226 178.656 176.300 0.217 0.000 1.069 74 M CA 2.185 57.681 55.300 0.327 0.000 1.117 74 M CB -0.191 32.515 32.600 0.176 0.000 1.334 74 M HN 0.175 nan 8.290 nan 0.000 0.407 75 I N -1.519 119.071 120.570 0.032 0.000 2.512 75 I HA 0.027 4.197 4.170 -0.000 0.000 0.247 75 I C 2.539 178.572 176.117 -0.140 0.000 1.094 75 I CA 0.936 62.162 61.300 -0.122 0.000 1.427 75 I CB -0.864 37.044 38.000 -0.152 0.000 1.149 75 I HN 0.268 nan 8.210 nan 0.000 0.438 76 G N 0.482 109.058 108.800 -0.373 0.000 2.422 76 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.218 76 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.218 76 G C 1.533 176.136 174.900 -0.494 0.000 1.140 76 G CA 0.915 45.376 45.100 -1.066 0.000 0.775 76 G HN 0.487 nan 8.290 nan 0.000 0.545 77 G N 0.327 109.039 108.800 -0.146 0.000 2.655 77 G HA2 0.129 4.089 3.960 -0.000 0.000 0.217 77 G HA3 0.129 4.089 3.960 -0.000 0.000 0.217 77 G C 1.445 176.314 174.900 -0.052 0.000 1.279 77 G CA 0.278 45.349 45.100 -0.048 0.000 0.870 77 G HN 0.270 nan 8.290 nan 0.000 0.560 78 F N 1.754 121.779 119.950 0.126 0.000 2.171 78 F HA 0.047 4.574 4.527 -0.000 0.000 0.300 78 F C 2.906 178.832 175.800 0.210 0.000 1.090 78 F CA 0.891 58.941 58.000 0.084 0.000 1.293 78 F CB -0.188 38.797 39.000 -0.027 0.000 1.013 78 F HN 0.249 nan 8.300 nan 0.000 0.486 79 G N -0.146 108.883 108.800 0.382 0.000 2.404 79 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 79 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 79 G C 1.627 176.809 174.900 0.471 0.000 1.174 79 G CA 0.738 45.987 45.100 0.249 0.000 0.780 79 G HN 0.219 nan 8.290 nan 0.000 0.537 80 N N -0.153 118.782 118.700 0.391 0.000 2.120 80 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 80 N C 1.931 177.579 175.510 0.229 0.000 1.024 80 N CA 0.909 54.106 53.050 0.245 0.000 0.852 80 N CB -0.254 38.278 38.487 0.074 0.000 1.003 80 N HN 0.537 nan 8.380 nan 0.000 0.424 81 W N 1.348 122.652 121.300 0.006 0.000 2.379 81 W HA 0.063 4.723 4.660 -0.000 0.000 0.307 81 W C 2.109 178.678 176.519 0.084 0.000 1.200 81 W CA 0.597 57.886 57.345 -0.093 0.000 1.297 81 W CB -0.179 28.980 29.460 -0.503 0.000 1.140 81 W HN -0.004 nan 8.180 nan 0.000 0.507 82 L N -1.745 119.691 121.223 0.355 0.000 2.316 82 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 82 L C 2.026 179.031 176.870 0.225 0.000 1.070 82 L CA 0.112 55.070 54.840 0.196 0.000 0.820 82 L CB -1.087 40.899 42.059 -0.121 0.000 0.992 82 L HN -0.228 nan 8.230 nan 0.000 0.466 83 V N 0.966 121.048 119.914 0.279 0.000 2.295 83 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 83 V C -0.225 175.887 176.094 0.030 0.000 1.049 83 V CA 2.118 64.525 62.300 0.180 0.000 1.024 83 V CB -1.371 30.578 31.823 0.210 0.000 0.648 83 V HN 0.302 nan 8.190 nan 0.000 0.447 84 P HA -0.121 nan 4.420 nan 0.000 0.216 84 P C 1.923 179.121 177.300 -0.170 0.000 1.153 84 P CA 1.391 64.328 63.100 -0.272 0.000 0.848 84 P CB -0.061 31.203 31.700 -0.727 0.000 0.787 85 L N -1.855 119.393 121.223 0.041 0.000 2.046 85 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 85 L C 2.483 179.401 176.870 0.080 0.000 1.077 85 L CA 1.624 56.593 54.840 0.215 0.000 0.747 85 L CB -0.875 41.395 42.059 0.352 0.000 0.896 85 L HN -0.014 nan 8.230 nan 0.000 0.432 86 M N -0.236 119.418 119.600 0.090 0.000 2.549 86 M HA -0.081 4.399 4.480 -0.000 0.000 0.260 86 M C 1.674 177.976 176.300 0.003 0.000 1.076 86 M CA 1.257 56.627 55.300 0.115 0.000 1.090 86 M CB 0.022 32.738 32.600 0.194 0.000 1.418 86 M HN 0.365 nan 8.290 nan 0.000 0.486 87 I N -4.624 115.871 120.570 -0.126 0.000 4.081 87 I HA 0.460 4.630 4.170 -0.000 0.000 0.333 87 I C 0.862 176.747 176.117 -0.386 0.000 1.413 87 I CA 0.009 61.199 61.300 -0.183 0.000 1.110 87 I CB -0.090 37.813 38.000 -0.162 0.000 1.082 87 I HN 0.279 nan 8.210 nan 0.000 0.402 88 G N 2.079 110.437 108.800 -0.736 0.000 2.198 88 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.257 88 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.257 88 G C 0.231 174.530 174.900 -1.002 0.000 1.042 88 G CA 0.170 44.305 45.100 -1.608 0.000 0.791 88 G HN 0.933 nan 8.290 nan 0.000 0.502 89 A N 0.067 122.540 122.820 -0.577 0.000 2.295 89 A HA 0.891 5.211 4.320 -0.000 0.000 0.318 89 A C -0.298 177.214 177.584 -0.121 0.000 1.134 89 A CA -0.966 50.899 52.037 -0.287 0.000 0.827 89 A CB 1.303 20.145 19.000 -0.263 0.000 1.136 89 A HN 0.104 nan 8.150 nan 0.000 0.493 90 P HA 0.040 nan 4.420 nan 0.000 0.231 90 P C -0.038 177.250 177.300 -0.020 0.000 1.168 90 P CA 1.001 64.135 63.100 0.056 0.000 0.779 90 P CB 0.478 32.204 31.700 0.042 0.000 0.844 91 D N -2.489 117.810 120.400 -0.169 0.000 3.010 91 D HA 0.129 4.769 4.640 -0.000 0.000 0.353 91 D C -0.588 175.522 176.300 -0.317 0.000 1.415 91 D CA -0.478 53.379 54.000 -0.240 0.000 0.864 91 D CB 0.491 41.248 40.800 -0.072 0.000 1.445 91 D HN -0.331 nan 8.370 nan 0.000 0.516 92 M N 1.072 120.502 119.600 -0.282 0.000 2.202 92 M HA 0.293 4.773 4.480 -0.000 0.000 0.316 92 M C 1.310 177.414 176.300 -0.325 0.000 1.138 92 M CA 0.092 55.198 55.300 -0.324 0.000 1.151 92 M CB 0.467 32.875 32.600 -0.320 0.000 1.422 92 M HN 0.605 nan 8.290 nan 0.000 0.471 93 A N 1.641 124.177 122.820 -0.475 0.000 1.933 93 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 93 A C 0.514 177.717 177.584 -0.636 0.000 1.175 93 A CA 1.550 53.180 52.037 -0.679 0.000 0.628 93 A CB -0.268 18.080 19.000 -1.086 0.000 0.814 93 A HN 0.591 nan 8.150 nan 0.000 0.444 94 F N -1.169 118.716 119.950 -0.108 0.000 2.449 94 F HA 0.383 4.910 4.527 -0.000 0.000 0.344 94 F C -2.186 173.570 175.800 -0.073 0.000 1.180 94 F CA -2.810 55.143 58.000 -0.078 0.000 1.209 94 F CB 0.989 39.950 39.000 -0.066 0.000 1.440 94 F HN 0.027 nan 8.300 nan 0.000 0.526 95 P HA -0.090 nan 4.420 nan 0.000 0.223 95 P C 1.798 179.119 177.300 0.035 0.000 1.151 95 P CA 1.039 64.140 63.100 0.002 0.000 0.787 95 P CB 0.308 32.000 31.700 -0.012 0.000 0.788 96 R N -0.544 119.992 120.500 0.061 0.000 2.075 96 R HA 0.109 4.449 4.340 -0.000 0.000 0.220 96 R C 2.220 178.563 176.300 0.072 0.000 1.118 96 R CA 0.781 56.915 56.100 0.057 0.000 0.986 96 R CB -0.781 29.539 30.300 0.033 0.000 0.884 96 R HN 0.021 nan 8.270 nan 0.000 0.439 97 M N 1.346 120.993 119.600 0.078 0.000 2.149 97 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 97 M C 1.705 178.063 176.300 0.097 0.000 1.064 97 M CA 1.972 57.315 55.300 0.071 0.000 1.102 97 M CB -0.277 32.352 32.600 0.050 0.000 1.369 97 M HN 0.173 nan 8.290 nan 0.000 0.408 98 N N 0.867 119.623 118.700 0.094 0.000 2.137 98 N HA -0.235 4.505 4.740 -0.000 0.000 0.190 98 N C 1.300 176.899 175.510 0.148 0.000 1.017 98 N CA 1.890 54.994 53.050 0.090 0.000 0.859 98 N CB -0.432 38.066 38.487 0.018 0.000 1.002 98 N HN 0.433 nan 8.380 nan 0.000 0.428 99 N N -0.349 118.439 118.700 0.146 0.000 2.331 99 N HA -0.019 4.721 4.740 -0.000 0.000 0.180 99 N C 1.644 177.334 175.510 0.300 0.000 1.019 99 N CA 0.634 53.817 53.050 0.222 0.000 0.881 99 N CB -0.150 38.488 38.487 0.251 0.000 0.972 99 N HN 0.359 nan 8.380 nan 0.000 0.435 100 M N -0.729 118.998 119.600 0.212 0.000 2.236 100 M HA -0.027 4.453 4.480 -0.000 0.000 0.266 100 M C 1.729 178.108 176.300 0.131 0.000 1.070 100 M CA 0.873 56.286 55.300 0.189 0.000 1.137 100 M CB 0.006 32.671 32.600 0.109 0.000 1.378 100 M HN 0.025 nan 8.290 nan 0.000 0.426 101 S N 0.583 116.363 115.700 0.134 0.000 2.374 101 S HA -0.202 4.268 4.470 -0.000 0.000 0.227 101 S C 1.482 176.115 174.600 0.054 0.000 1.037 101 S CA 1.765 60.052 58.200 0.145 0.000 1.024 101 S CB -0.593 62.750 63.200 0.239 0.000 0.861 101 S HN 0.624 nan 8.310 nan 0.000 0.456 102 F N 0.556 120.416 119.950 -0.150 0.000 2.075 102 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 102 F C 1.763 177.210 175.800 -0.587 0.000 1.113 102 F CA 1.218 58.804 58.000 -0.690 0.000 1.218 102 F CB -0.625 37.767 39.000 -1.014 0.000 0.984 102 F HN 0.232 nan 8.300 nan 0.000 0.472 103 W N 0.485 121.582 121.300 -0.337 0.000 2.519 103 W HA 0.000 4.660 4.660 -0.000 0.000 0.266 103 W C 2.087 178.409 176.519 -0.329 0.000 1.253 103 W CA 0.468 57.595 57.345 -0.363 0.000 1.274 103 W CB -0.389 29.048 29.460 -0.037 0.000 1.114 103 W HN 0.009 nan 8.180 nan 0.000 0.596 104 L N -0.067 121.110 121.223 -0.076 0.000 2.353 104 L HA -0.226 4.114 4.340 -0.000 0.000 0.220 104 L C 2.039 178.827 176.870 -0.137 0.000 1.133 104 L CA 0.901 55.709 54.840 -0.054 0.000 0.798 104 L CB -0.524 41.534 42.059 -0.002 0.000 0.922 104 L HN 0.118 nan 8.230 nan 0.000 0.445 105 L N -0.773 120.208 121.223 -0.403 0.000 2.127 105 L HA -0.059 4.280 4.340 -0.000 0.000 0.203 105 L C -0.181 176.537 176.870 -0.254 0.000 1.080 105 L CA 0.863 55.441 54.840 -0.437 0.000 0.768 105 L CB -1.473 39.992 42.059 -0.989 0.000 0.924 105 L HN 0.181 nan 8.230 nan 0.000 0.444 106 P HA -0.108 nan 4.420 nan 0.000 0.215 106 P C -1.420 175.925 177.300 0.074 0.000 1.157 106 P CA 1.477 64.633 63.100 0.094 0.000 0.868 106 P CB -1.011 30.758 31.700 0.114 0.000 0.788 107 P HA -0.167 nan 4.420 nan 0.000 0.215 107 P C 1.880 179.221 177.300 0.068 0.000 1.153 107 P CA 1.778 64.908 63.100 0.049 0.000 0.853 107 P CB -0.518 31.205 31.700 0.039 0.000 0.788 108 S N -1.665 114.079 115.700 0.073 0.000 2.368 108 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 108 S C 1.847 176.512 174.600 0.108 0.000 1.030 108 S CA 0.857 59.141 58.200 0.140 0.000 0.999 108 S CB -1.098 62.245 63.200 0.239 0.000 0.844 108 S HN 0.066 nan 8.310 nan 0.000 0.459 109 F N 0.765 120.508 119.950 -0.346 0.000 2.186 109 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 109 F C 2.039 177.757 175.800 -0.136 0.000 1.090 109 F CA 0.770 58.436 58.000 -0.557 0.000 1.307 109 F CB -0.074 38.541 39.000 -0.642 0.000 1.019 109 F HN 0.312 nan 8.300 nan 0.000 0.489 110 L N 0.937 122.224 121.223 0.107 0.000 2.017 110 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 110 L C 1.968 178.899 176.870 0.102 0.000 1.073 110 L CA 1.741 56.610 54.840 0.048 0.000 0.745 110 L CB -0.931 41.141 42.059 0.022 0.000 0.894 110 L HN 0.141 nan 8.230 nan 0.000 0.432 111 L N -1.255 120.041 121.223 0.121 0.000 2.042 111 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 111 L C 2.519 179.482 176.870 0.155 0.000 1.076 111 L CA 1.211 56.131 54.840 0.133 0.000 0.749 111 L CB -0.706 41.441 42.059 0.147 0.000 0.893 111 L HN 0.364 nan 8.230 nan 0.000 0.432 112 L N -0.244 121.105 121.223 0.209 0.000 2.017 112 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 112 L C 2.330 179.348 176.870 0.246 0.000 1.073 112 L CA 1.713 56.704 54.840 0.252 0.000 0.745 112 L CB -0.321 41.996 42.059 0.430 0.000 0.894 112 L HN 0.099 nan 8.230 nan 0.000 0.432 113 L N -0.862 120.506 121.223 0.242 0.000 2.131 113 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 113 L C 2.660 179.603 176.870 0.121 0.000 1.092 113 L CA 0.983 55.923 54.840 0.167 0.000 0.759 113 L CB -0.925 41.183 42.059 0.082 0.000 0.903 113 L HN 0.375 nan 8.230 nan 0.000 0.435 114 A N 0.338 123.223 122.820 0.109 0.000 1.908 114 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 114 A C 2.559 180.204 177.584 0.101 0.000 1.181 114 A CA 2.113 54.205 52.037 0.092 0.000 0.627 114 A CB -0.751 18.301 19.000 0.087 0.000 0.818 114 A HN 0.521 nan 8.150 nan 0.000 0.445 115 S N 0.448 116.217 115.700 0.115 0.000 2.399 115 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 115 S C 2.043 176.713 174.600 0.116 0.000 1.022 115 S CA 1.821 60.087 58.200 0.110 0.000 0.983 115 S CB -0.870 62.390 63.200 0.100 0.000 0.803 115 S HN 0.990 nan 8.310 nan 0.000 0.480 116 S N 0.632 116.408 115.700 0.127 0.000 2.489 116 S HA 0.153 4.623 4.470 -0.000 0.000 0.228 116 S C 1.783 176.442 174.600 0.099 0.000 0.995 116 S CA 0.529 58.803 58.200 0.123 0.000 0.934 116 S CB -0.371 62.912 63.200 0.138 0.000 0.771 116 S HN 0.399 nan 8.310 nan 0.000 0.522 117 M N 1.818 121.472 119.600 0.089 0.000 2.466 117 M HA 0.306 4.786 4.480 -0.000 0.000 0.265 117 M C 1.001 177.341 176.300 0.066 0.000 1.122 117 M CA 0.334 55.677 55.300 0.071 0.000 1.157 117 M CB -0.496 32.142 32.600 0.063 0.000 1.352 117 M HN 0.395 nan 8.290 nan 0.000 0.464 118 V N -0.539 119.418 119.914 0.072 0.000 2.785 118 V HA 0.323 4.443 4.120 -0.000 0.000 0.300 118 V C 0.900 177.037 176.094 0.072 0.000 1.062 118 V CA -0.966 61.374 62.300 0.067 0.000 1.029 118 V CB 0.871 32.735 31.823 0.069 0.000 1.024 118 V HN 0.562 nan 8.190 nan 0.000 0.477 119 E N 2.420 122.657 120.200 0.061 0.000 3.401 119 E HA -0.360 3.990 4.350 -0.000 0.000 0.352 119 E C 0.950 177.587 176.600 0.062 0.000 1.523 119 E CA 2.091 58.526 56.400 0.058 0.000 1.794 119 E CB -1.587 28.153 29.700 0.067 0.000 1.792 119 E HN 1.517 nan 8.360 nan 0.000 0.471 120 A N 1.606 124.468 122.820 0.070 0.000 2.574 120 A HA 0.509 4.829 4.320 -0.000 0.000 0.283 120 A C 0.797 178.451 177.584 0.117 0.000 1.270 120 A CA 1.395 53.477 52.037 0.076 0.000 0.945 120 A CB -0.017 19.009 19.000 0.043 0.000 1.127 120 A HN 1.334 nan 8.150 nan 0.000 0.522 121 G N -1.187 107.690 108.800 0.129 0.000 2.814 121 G HA2 0.333 4.293 3.960 -0.000 0.000 0.677 121 G HA3 0.333 4.293 3.960 -0.000 0.000 0.677 121 G C 0.009 175.029 174.900 0.199 0.000 1.429 121 G CA -0.350 44.839 45.100 0.147 0.000 0.868 121 G HN 1.739 nan 8.290 nan 0.000 0.553 122 A N 0.397 123.298 122.820 0.136 0.000 2.366 122 A HA 0.732 5.052 4.320 -0.000 0.000 0.322 122 A C 0.966 178.559 177.584 0.016 0.000 1.397 122 A CA 0.778 52.819 52.037 0.007 0.000 0.984 122 A CB 0.440 19.425 19.000 -0.025 0.000 1.149 122 A HN 2.317 nan 8.150 nan 0.000 0.540 123 G N 1.715 110.585 108.800 0.117 0.000 3.860 123 G HA2 0.350 4.310 3.960 -0.000 0.000 0.269 123 G HA3 0.350 4.310 3.960 -0.000 0.000 0.269 123 G C 0.729 175.652 174.900 0.038 0.000 1.112 123 G CA 0.531 45.714 45.100 0.139 0.000 1.674 123 G HN 0.789 nan 8.290 nan 0.000 0.628 124 T N -2.704 111.786 114.554 -0.107 0.000 3.001 124 T HA 0.475 4.825 4.350 -0.000 0.000 0.251 124 T C 1.223 175.840 174.700 -0.137 0.000 1.040 124 T CA 0.464 62.468 62.100 -0.159 0.000 0.985 124 T CB 0.565 69.279 68.868 -0.256 0.000 1.011 124 T HN 1.515 nan 8.240 nan 0.000 0.509 125 G N 1.805 110.544 108.800 -0.102 0.000 2.716 125 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 125 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 125 G C 0.258 175.011 174.900 -0.245 0.000 1.337 125 G CA -0.256 44.757 45.100 -0.145 0.000 0.829 125 G HN 0.643 nan 8.290 nan 0.000 0.599 126 W N 0.967 121.977 121.300 -0.483 0.000 2.721 126 W HA -0.014 4.646 4.660 -0.000 0.000 0.245 126 W C 1.368 177.628 176.519 -0.432 0.000 1.276 126 W CA 1.764 58.628 57.345 -0.802 0.000 1.342 126 W CB -1.392 27.573 29.460 -0.826 0.000 1.135 126 W HN 0.991 nan 8.180 nan 0.000 0.654 127 T N -1.329 112.583 114.554 -1.069 0.000 3.067 127 T HA 0.081 4.431 4.350 -0.000 0.000 0.257 127 T C 1.129 175.274 174.700 -0.925 0.000 1.105 127 T CA 0.596 61.677 62.100 -1.698 0.000 1.104 127 T CB -0.703 67.139 68.868 -1.709 0.000 0.925 127 T HN 0.079 nan 8.240 nan 0.000 0.498 128 V N 1.153 120.764 119.914 -0.505 0.000 5.479 128 V HA -0.235 3.885 4.120 -0.000 0.000 0.289 128 V C 0.086 175.965 176.094 -0.358 0.000 0.595 128 V CA 0.332 62.464 62.300 -0.281 0.000 0.649 128 V CB -2.788 28.976 31.823 -0.098 0.000 0.390 128 V HN 0.692 nan 8.190 nan 0.000 0.974 129 Y N 1.930 121.950 120.300 -0.467 0.000 2.442 129 Y HA 0.280 4.830 4.550 -0.000 0.000 0.330 129 Y C -0.926 174.697 175.900 -0.461 0.000 1.129 129 Y CA -1.978 55.815 58.100 -0.513 0.000 1.365 129 Y CB 1.184 39.508 38.460 -0.228 0.000 1.233 129 Y HN 0.282 nan 8.280 nan 0.000 0.529 130 P HA 0.165 nan 4.420 nan 0.000 0.278 130 P C -2.412 174.842 177.300 -0.076 0.000 1.258 130 P CA -1.930 61.045 63.100 -0.209 0.000 0.811 130 P CB 1.025 32.600 31.700 -0.209 0.000 1.063 131 P HA 0.028 nan 4.420 nan 0.000 0.236 131 P C 1.485 178.809 177.300 0.041 0.000 1.177 131 P CA 0.111 63.228 63.100 0.028 0.000 0.773 131 P CB -0.108 31.622 31.700 0.050 0.000 0.878 132 L N 0.615 121.868 121.223 0.050 0.000 2.079 132 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 132 L C 1.962 178.922 176.870 0.150 0.000 1.081 132 L CA 2.058 56.964 54.840 0.110 0.000 0.752 132 L CB -1.384 40.735 42.059 0.100 0.000 0.896 132 L HN -0.054 nan 8.230 nan 0.000 0.433 133 A N -0.880 121.938 122.820 -0.003 0.000 2.238 133 A HA 0.384 4.704 4.320 -0.000 0.000 0.208 133 A C 1.385 178.966 177.584 -0.004 0.000 1.177 133 A CA 0.409 52.402 52.037 -0.073 0.000 0.804 133 A CB -1.330 17.548 19.000 -0.203 0.000 0.823 133 A HN 0.486 nan 8.150 nan 0.000 0.482 134 G N 0.002 108.823 108.800 0.034 0.000 2.621 134 G HA2 0.271 4.231 3.960 -0.000 0.000 0.271 134 G HA3 0.271 4.231 3.960 -0.000 0.000 0.271 134 G C 0.515 175.459 174.900 0.073 0.000 1.236 134 G CA 0.102 45.234 45.100 0.053 0.000 0.958 134 G HN 0.470 nan 8.290 nan 0.000 0.512 135 N N -0.804 117.932 118.700 0.061 0.000 2.449 135 N HA -0.013 4.727 4.740 -0.000 0.000 0.191 135 N C 1.305 176.842 175.510 0.046 0.000 1.161 135 N CA 0.150 53.234 53.050 0.056 0.000 0.863 135 N CB 0.269 38.784 38.487 0.046 0.000 0.980 135 N HN 0.271 nan 8.380 nan 0.000 0.458 136 L N -0.312 120.938 121.223 0.044 0.000 2.349 136 L HA 0.482 4.822 4.340 -0.000 0.000 0.200 136 L C 1.966 178.845 176.870 0.016 0.000 1.064 136 L CA 1.082 55.939 54.840 0.029 0.000 0.821 136 L CB -0.977 41.099 42.059 0.029 0.000 1.027 136 L HN 0.148 nan 8.230 nan 0.000 0.476 137 A N -2.063 120.775 122.820 0.031 0.000 2.132 137 A HA 0.006 4.326 4.320 -0.000 0.000 0.213 137 A C 0.339 177.889 177.584 -0.057 0.000 1.154 137 A CA 0.616 52.656 52.037 0.005 0.000 0.753 137 A CB -0.589 18.446 19.000 0.058 0.000 0.826 137 A HN 0.607 nan 8.150 nan 0.000 0.469 138 H N -0.784 118.295 119.070 0.015 0.000 2.511 138 H HA 0.540 5.096 4.556 -0.000 0.000 0.228 138 H C 0.046 175.385 175.328 0.018 0.000 1.424 138 H CA -0.098 55.960 56.048 0.017 0.000 1.321 138 H CB 0.453 30.221 29.762 0.011 0.000 1.720 138 H HN 0.407 nan 8.280 nan 0.000 0.512 139 A N 1.251 124.099 122.820 0.046 0.000 2.462 139 A HA 0.558 4.878 4.320 -0.000 0.000 0.243 139 A C 1.088 178.706 177.584 0.057 0.000 1.076 139 A CA 0.904 52.969 52.037 0.046 0.000 0.773 139 A CB -0.241 18.771 19.000 0.019 0.000 1.010 139 A HN 0.898 nan 8.150 nan 0.000 0.493 140 G N -0.178 108.658 108.800 0.060 0.000 2.483 140 G HA2 0.349 4.309 3.960 -0.000 0.000 0.521 140 G HA3 0.349 4.309 3.960 -0.000 0.000 0.521 140 G C 0.656 175.601 174.900 0.075 0.000 1.278 140 G CA 0.146 45.283 45.100 0.062 0.000 0.965 140 G HN 1.952 nan 8.290 nan 0.000 0.504 141 A N -0.638 122.229 122.820 0.078 0.000 2.123 141 A HA 0.435 4.755 4.320 -0.000 0.000 0.214 141 A C 2.552 180.187 177.584 0.085 0.000 1.152 141 A CA 2.228 54.317 52.037 0.086 0.000 0.728 141 A CB -0.455 18.600 19.000 0.092 0.000 0.814 141 A HN 1.424 nan 8.150 nan 0.000 0.464 142 S N -0.221 115.534 115.700 0.092 0.000 2.359 142 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 142 S C 1.845 176.475 174.600 0.049 0.000 1.035 142 S CA 1.652 59.907 58.200 0.092 0.000 1.018 142 S CB -0.354 62.921 63.200 0.126 0.000 0.876 142 S HN 0.356 nan 8.310 nan 0.000 0.448 143 V N 2.422 122.354 119.914 0.029 0.000 2.548 143 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 143 V C 1.940 177.977 176.094 -0.095 0.000 1.055 143 V CA 1.470 63.742 62.300 -0.048 0.000 1.065 143 V CB -0.618 31.164 31.823 -0.068 0.000 0.681 143 V HN 0.411 nan 8.190 nan 0.000 0.462 144 D N 0.202 120.557 120.400 -0.075 0.000 2.144 144 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 144 D C 2.168 178.369 176.300 -0.165 0.000 0.984 144 D CA 1.137 55.022 54.000 -0.193 0.000 0.834 144 D CB -0.102 40.659 40.800 -0.066 0.000 0.955 144 D HN 0.342 nan 8.370 nan 0.000 0.465 145 L N 0.811 122.065 121.223 0.051 0.000 2.042 145 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 145 L C 2.605 179.501 176.870 0.044 0.000 1.076 145 L CA 1.222 56.149 54.840 0.145 0.000 0.749 145 L CB -0.704 41.434 42.059 0.131 0.000 0.893 145 L HN 0.019 nan 8.230 nan 0.000 0.432 146 T N 0.126 114.651 114.554 -0.049 0.000 2.684 146 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 146 T C 1.890 176.420 174.700 -0.283 0.000 1.036 146 T CA 1.548 63.549 62.100 -0.166 0.000 1.148 146 T CB -0.257 68.523 68.868 -0.146 0.000 0.863 146 T HN 0.193 nan 8.240 nan 0.000 0.436 147 I N 0.152 120.534 120.570 -0.314 0.000 2.179 147 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 147 I C 2.057 177.933 176.117 -0.401 0.000 1.088 147 I CA 1.387 62.422 61.300 -0.441 0.000 1.357 147 I CB -0.395 37.288 38.000 -0.530 0.000 1.051 147 I HN 0.148 nan 8.210 nan 0.000 0.409 148 F N 0.456 120.366 119.950 -0.065 0.000 2.202 148 F HA -0.241 4.286 4.527 -0.000 0.000 0.301 148 F C 2.929 178.725 175.800 -0.006 0.000 1.082 148 F CA 1.513 59.541 58.000 0.047 0.000 1.313 148 F CB -1.247 37.795 39.000 0.070 0.000 1.024 148 F HN 0.047 nan 8.300 nan 0.000 0.495 149 S N 0.352 116.110 115.700 0.096 0.000 2.353 149 S HA -0.171 4.299 4.470 -0.000 0.000 0.222 149 S C 2.206 176.756 174.600 -0.084 0.000 1.035 149 S CA 1.249 59.477 58.200 0.045 0.000 1.025 149 S CB -0.488 62.715 63.200 0.005 0.000 0.902 149 S HN 0.349 nan 8.310 nan 0.000 0.440 150 L N 0.297 121.326 121.223 -0.323 0.000 2.042 150 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 150 L C 2.499 179.217 176.870 -0.253 0.000 1.076 150 L CA 1.971 56.521 54.840 -0.483 0.000 0.749 150 L CB -0.877 40.809 42.059 -0.621 0.000 0.893 150 L HN 0.493 nan 8.230 nan 0.000 0.432 151 H N -0.382 118.625 119.070 -0.105 0.000 2.319 151 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 151 H C 2.356 177.682 175.328 -0.003 0.000 1.092 151 H CA 1.344 57.378 56.048 -0.023 0.000 1.302 151 H CB 0.098 29.919 29.762 0.099 0.000 1.373 151 H HN 0.222 nan 8.280 nan 0.000 0.497 152 L N -0.319 120.996 121.223 0.153 0.000 2.072 152 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 152 L C 2.830 179.753 176.870 0.088 0.000 1.079 152 L CA 0.779 55.682 54.840 0.105 0.000 0.752 152 L CB -0.526 41.592 42.059 0.098 0.000 0.906 152 L HN 0.332 nan 8.230 nan 0.000 0.436 153 A N 0.526 123.392 122.820 0.076 0.000 1.930 153 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 153 A C 2.393 180.034 177.584 0.094 0.000 1.175 153 A CA 1.561 53.663 52.037 0.108 0.000 0.627 153 A CB -1.067 17.949 19.000 0.026 0.000 0.815 153 A HN 0.429 nan 8.150 nan 0.000 0.443 154 G N -0.335 108.484 108.800 0.032 0.000 2.433 154 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 154 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 154 G C 1.527 176.473 174.900 0.075 0.000 1.186 154 G CA 1.295 46.420 45.100 0.043 0.000 0.779 154 G HN 0.301 nan 8.290 nan 0.000 0.543 155 V N 0.926 120.884 119.914 0.072 0.000 2.287 155 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 155 V C 3.065 179.205 176.094 0.078 0.000 1.053 155 V CA 2.346 64.684 62.300 0.063 0.000 1.027 155 V CB -0.626 31.225 31.823 0.048 0.000 0.646 155 V HN 0.510 nan 8.190 nan 0.000 0.447 156 S N -0.515 115.239 115.700 0.090 0.000 2.359 156 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 156 S C 2.177 176.862 174.600 0.141 0.000 1.035 156 S CA 2.340 60.605 58.200 0.109 0.000 1.018 156 S CB -0.311 62.952 63.200 0.106 0.000 0.876 156 S HN 0.585 nan 8.310 nan 0.000 0.448 157 S N 0.521 116.311 115.700 0.149 0.000 2.414 157 S HA 0.208 4.678 4.470 -0.000 0.000 0.227 157 S C 1.709 176.395 174.600 0.144 0.000 1.022 157 S CA 0.809 59.105 58.200 0.160 0.000 0.958 157 S CB -0.301 63.001 63.200 0.170 0.000 0.797 157 S HN 0.517 nan 8.310 nan 0.000 0.493 158 I N 1.262 121.905 120.570 0.121 0.000 2.315 158 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 158 I C 1.808 177.987 176.117 0.103 0.000 1.117 158 I CA 1.037 62.402 61.300 0.107 0.000 1.404 158 I CB -0.161 37.889 38.000 0.082 0.000 1.071 158 I HN 0.243 nan 8.210 nan 0.000 0.419 159 L N -0.129 121.151 121.223 0.095 0.000 2.179 159 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 159 L C 2.649 179.589 176.870 0.118 0.000 1.096 159 L CA 1.119 56.009 54.840 0.084 0.000 0.779 159 L CB -1.100 40.998 42.059 0.065 0.000 0.922 159 L HN 0.289 nan 8.230 nan 0.000 0.443 160 G N 0.166 109.054 108.800 0.146 0.000 2.446 160 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 160 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 160 G C 1.778 176.832 174.900 0.256 0.000 1.168 160 G CA 0.939 46.152 45.100 0.190 0.000 0.771 160 G HN 0.457 nan 8.290 nan 0.000 0.551 161 A N 0.693 123.648 122.820 0.224 0.000 1.902 161 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 161 A C 2.409 180.101 177.584 0.180 0.000 1.181 161 A CA 1.295 53.460 52.037 0.213 0.000 0.623 161 A CB -0.359 18.732 19.000 0.152 0.000 0.818 161 A HN 0.382 nan 8.150 nan 0.000 0.443 162 I N -0.035 120.626 120.570 0.151 0.000 2.264 162 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 162 I C 2.455 178.689 176.117 0.195 0.000 1.111 162 I CA 1.332 62.725 61.300 0.157 0.000 1.382 162 I CB -0.386 37.692 38.000 0.131 0.000 1.060 162 I HN 0.360 nan 8.210 nan 0.000 0.418 163 N N 0.921 119.715 118.700 0.157 0.000 2.135 163 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 163 N C 1.899 177.309 175.510 -0.168 0.000 1.027 163 N CA 1.586 54.654 53.050 0.030 0.000 0.849 163 N CB -0.200 38.238 38.487 -0.081 0.000 1.002 163 N HN 0.216 nan 8.380 nan 0.000 0.425 164 F N 1.178 121.116 119.950 -0.020 0.000 2.113 164 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 164 F C 2.333 178.078 175.800 -0.092 0.000 1.103 164 F CA 0.663 58.618 58.000 -0.075 0.000 1.248 164 F CB -0.234 38.723 39.000 -0.071 0.000 0.999 164 F HN -0.010 nan 8.300 nan 0.000 0.475 165 I N -0.416 120.239 120.570 0.140 0.000 2.118 165 I HA -0.363 3.807 4.170 -0.000 0.000 0.241 165 I C 2.327 178.430 176.117 -0.022 0.000 1.070 165 I CA 1.842 63.169 61.300 0.044 0.000 1.327 165 I CB -0.975 37.061 38.000 0.059 0.000 1.034 165 I HN 0.122 nan 8.210 nan 0.000 0.405 166 T N -0.113 114.423 114.554 -0.029 0.000 2.708 166 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 166 T C 1.922 176.508 174.700 -0.190 0.000 1.037 166 T CA 2.097 64.139 62.100 -0.098 0.000 1.146 166 T CB -0.431 68.360 68.868 -0.129 0.000 0.865 166 T HN 0.381 nan 8.240 nan 0.000 0.435 167 T N 2.046 116.457 114.554 -0.238 0.000 2.652 167 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 167 T C 1.976 176.568 174.700 -0.181 0.000 1.039 167 T CA 1.135 63.081 62.100 -0.256 0.000 1.153 167 T CB -0.449 68.254 68.868 -0.275 0.000 0.863 167 T HN 0.309 nan 8.240 nan 0.000 0.428 168 I N 0.452 120.944 120.570 -0.130 0.000 2.315 168 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 168 I C 2.027 178.034 176.117 -0.183 0.000 1.117 168 I CA 0.749 61.957 61.300 -0.153 0.000 1.404 168 I CB -0.211 37.699 38.000 -0.151 0.000 1.071 168 I HN 0.196 nan 8.210 nan 0.000 0.419 169 I N 0.496 120.973 120.570 -0.155 0.000 2.406 169 I HA -0.195 3.975 4.170 -0.000 0.000 0.249 169 I C 2.014 178.051 176.117 -0.132 0.000 1.122 169 I CA 1.535 62.748 61.300 -0.146 0.000 1.431 169 I CB -1.260 36.679 38.000 -0.100 0.000 1.087 169 I HN 0.290 nan 8.210 nan 0.000 0.424 170 N N -0.202 118.417 118.700 -0.135 0.000 2.282 170 N HA 0.109 4.849 4.740 -0.000 0.000 0.185 170 N C 1.060 176.488 175.510 -0.136 0.000 1.099 170 N CA 0.392 53.368 53.050 -0.124 0.000 0.878 170 N CB 0.326 38.735 38.487 -0.130 0.000 0.993 170 N HN 0.126 nan 8.380 nan 0.000 0.481 171 M N 0.092 119.598 119.600 -0.158 0.000 2.692 171 M HA 0.229 4.709 4.480 -0.000 0.000 0.372 171 M C -0.498 175.706 176.300 -0.160 0.000 1.192 171 M CA -0.226 54.978 55.300 -0.161 0.000 0.928 171 M CB 0.778 33.262 32.600 -0.193 0.000 1.366 171 M HN -0.149 nan 8.290 nan 0.000 0.517 172 K N 0.946 121.258 120.400 -0.148 0.000 2.102 172 K HA 0.436 4.756 4.320 -0.000 0.000 0.244 172 K C -2.408 174.118 176.600 -0.124 0.000 1.021 172 K CA -1.635 54.565 56.287 -0.145 0.000 0.913 172 K CB 0.041 32.461 32.500 -0.134 0.000 1.062 172 K HN -0.126 nan 8.250 nan 0.000 0.485 173 P HA -0.005 nan 4.420 nan 0.000 0.266 173 P C -2.121 175.125 177.300 -0.089 0.000 1.195 173 P CA -0.893 62.148 63.100 -0.098 0.000 0.768 173 P CB 0.131 31.776 31.700 -0.091 0.000 0.838 174 P HA -0.206 nan 4.420 nan 0.000 0.217 174 P C 0.976 178.235 177.300 -0.068 0.000 1.148 174 P CA 1.710 64.767 63.100 -0.073 0.000 0.828 174 P CB -0.231 31.426 31.700 -0.071 0.000 0.783 175 A N -1.579 121.194 122.820 -0.078 0.000 2.123 175 A HA 0.068 4.388 4.320 -0.000 0.000 0.214 175 A C 1.305 178.863 177.584 -0.043 0.000 1.152 175 A CA 0.075 52.074 52.037 -0.065 0.000 0.728 175 A CB -0.867 18.078 19.000 -0.090 0.000 0.814 175 A HN 0.180 nan 8.150 nan 0.000 0.464 176 M N 2.199 121.770 119.600 -0.049 0.000 2.108 176 M HA 0.282 4.762 4.480 -0.000 0.000 0.347 176 M C 0.482 176.759 176.300 -0.039 0.000 1.326 176 M CA -0.281 54.999 55.300 -0.034 0.000 1.126 176 M CB 0.563 33.135 32.600 -0.048 0.000 1.606 176 M HN 0.413 nan 8.290 nan 0.000 0.462 177 S N 3.440 119.135 115.700 -0.008 0.000 2.634 177 S HA 0.089 4.559 4.470 -0.000 0.000 0.261 177 S C 0.719 175.272 174.600 -0.079 0.000 1.271 177 S CA -0.308 57.875 58.200 -0.029 0.000 0.985 177 S CB 1.123 64.350 63.200 0.045 0.000 0.968 177 S HN 0.843 nan 8.310 nan 0.000 0.568 178 Q N -0.362 119.303 119.800 -0.226 0.000 2.226 178 Q HA 0.003 4.343 4.340 -0.000 0.000 0.204 178 Q C 0.617 176.616 176.000 -0.001 0.000 0.975 178 Q CA 1.661 57.265 55.803 -0.332 0.000 0.866 178 Q CB -0.522 27.890 28.738 -0.544 0.000 0.915 178 Q HN 0.846 nan 8.270 nan 0.000 0.440 179 Y N -0.729 119.820 120.300 0.415 0.000 2.470 179 Y HA 0.188 4.738 4.550 -0.000 0.000 0.302 179 Y C 0.604 176.693 175.900 0.315 0.000 1.194 179 Y CA 0.190 58.612 58.100 0.537 0.000 1.271 179 Y CB 0.136 38.813 38.460 0.361 0.000 1.092 179 Y HN 0.096 nan 8.280 nan 0.000 0.513 180 Q N -0.282 119.686 119.800 0.281 0.000 2.135 180 Q HA 0.141 4.481 4.340 -0.000 0.000 0.222 180 Q C 0.144 176.240 176.000 0.160 0.000 0.808 180 Q CA -0.189 55.694 55.803 0.133 0.000 1.049 180 Q CB 0.835 29.611 28.738 0.062 0.000 1.168 180 Q HN 0.273 nan 8.270 nan 0.000 0.483 181 T N -2.613 112.110 114.554 0.281 0.000 2.902 181 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 181 T C -2.586 172.386 174.700 0.453 0.000 1.009 181 T CA -2.371 59.853 62.100 0.208 0.000 1.051 181 T CB 1.733 70.569 68.868 -0.052 0.000 0.999 181 T HN -0.236 nan 8.240 nan 0.000 0.474 182 P HA 0.208 nan 4.420 nan 0.000 0.271 182 P C 1.033 178.750 177.300 0.696 0.000 1.233 182 P CA -0.530 62.913 63.100 0.573 0.000 0.789 182 P CB 0.464 32.542 31.700 0.630 0.000 0.951 183 L N 0.216 121.870 121.223 0.718 0.000 2.131 183 L HA -0.169 4.170 4.340 -0.000 0.000 0.210 183 L C 2.151 179.376 176.870 0.592 0.000 1.092 183 L CA 1.319 56.514 54.840 0.593 0.000 0.759 183 L CB -0.596 41.718 42.059 0.426 0.000 0.903 183 L HN 0.380 nan 8.230 nan 0.000 0.435 184 F N 0.387 120.671 119.950 0.557 0.000 2.134 184 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 184 F C 2.213 178.089 175.800 0.127 0.000 1.097 184 F CA 1.476 59.581 58.000 0.175 0.000 1.264 184 F CB -0.289 38.552 39.000 -0.266 0.000 1.001 184 F HN -0.246 nan 8.300 nan 0.000 0.479 185 V N -0.995 118.956 119.914 0.062 0.000 2.358 185 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 185 V C 2.119 178.124 176.094 -0.148 0.000 1.047 185 V CA 1.947 64.166 62.300 -0.134 0.000 1.035 185 V CB -1.143 30.661 31.823 -0.032 0.000 0.658 185 V HN 0.492 nan 8.190 nan 0.000 0.452 186 W N 1.009 122.298 121.300 -0.017 0.000 2.321 186 W HA -0.269 4.391 4.660 -0.000 0.000 0.306 186 W C 3.026 179.498 176.519 -0.078 0.000 1.217 186 W CA 2.033 59.362 57.345 -0.025 0.000 1.257 186 W CB -0.518 28.951 29.460 0.014 0.000 1.145 186 W HN 0.385 nan 8.180 nan 0.000 0.509 187 S N -0.575 115.198 115.700 0.121 0.000 2.402 187 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 187 S C 1.672 176.170 174.600 -0.170 0.000 1.021 187 S CA 1.492 59.708 58.200 0.027 0.000 0.974 187 S CB -0.927 62.321 63.200 0.080 0.000 0.800 187 S HN 0.067 nan 8.310 nan 0.000 0.484 188 V N 1.925 121.588 119.914 -0.418 0.000 2.379 188 V HA -0.068 4.052 4.120 -0.000 0.000 0.245 188 V C 2.606 178.526 176.094 -0.290 0.000 1.044 188 V CA 1.954 63.944 62.300 -0.517 0.000 1.036 188 V CB -0.800 30.522 31.823 -0.835 0.000 0.664 188 V HN 0.612 nan 8.190 nan 0.000 0.453 189 M N 0.255 119.742 119.600 -0.189 0.000 2.080 189 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 189 M C 1.926 178.227 176.300 0.002 0.000 1.068 189 M CA 2.129 57.377 55.300 -0.087 0.000 1.109 189 M CB -0.527 31.995 32.600 -0.131 0.000 1.342 189 M HN 0.240 nan 8.290 nan 0.000 0.405 190 I N -0.518 120.088 120.570 0.060 0.000 2.202 190 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 190 I C 2.125 178.281 176.117 0.064 0.000 1.091 190 I CA 1.682 63.047 61.300 0.108 0.000 1.368 190 I CB -0.855 37.239 38.000 0.157 0.000 1.058 190 I HN 0.362 nan 8.210 nan 0.000 0.410 191 T N 0.825 115.378 114.554 -0.001 0.000 2.665 191 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 191 T C 2.031 176.731 174.700 0.001 0.000 1.035 191 T CA 1.705 63.789 62.100 -0.027 0.000 1.151 191 T CB -0.388 68.415 68.868 -0.109 0.000 0.862 191 T HN 0.504 nan 8.240 nan 0.000 0.438 192 A N 0.782 123.594 122.820 -0.012 0.000 1.902 192 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 192 A C 2.595 180.236 177.584 0.094 0.000 1.181 192 A CA 1.330 53.397 52.037 0.048 0.000 0.623 192 A CB -0.969 18.072 19.000 0.068 0.000 0.818 192 A HN 0.364 nan 8.150 nan 0.000 0.443 193 V N 0.272 120.245 119.914 0.099 0.000 2.392 193 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 193 V C 2.532 178.743 176.094 0.195 0.000 1.059 193 V CA 1.880 64.260 62.300 0.133 0.000 1.051 193 V CB -0.713 31.194 31.823 0.139 0.000 0.658 193 V HN 0.564 nan 8.190 nan 0.000 0.455 194 L N -0.989 120.356 121.223 0.204 0.000 2.093 194 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 194 L C 2.417 179.419 176.870 0.220 0.000 1.085 194 L CA 1.390 56.390 54.840 0.267 0.000 0.755 194 L CB -0.494 41.614 42.059 0.081 0.000 0.904 194 L HN 0.323 nan 8.230 nan 0.000 0.435 195 L N -0.558 120.753 121.223 0.147 0.000 2.012 195 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 195 L C 2.592 179.572 176.870 0.183 0.000 1.073 195 L CA 1.063 55.998 54.840 0.159 0.000 0.748 195 L CB -0.472 41.666 42.059 0.131 0.000 0.891 195 L HN 0.233 nan 8.230 nan 0.000 0.431 196 L N -0.344 120.976 121.223 0.163 0.000 2.012 196 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 196 L C 2.268 179.226 176.870 0.146 0.000 1.073 196 L CA 1.792 56.714 54.840 0.137 0.000 0.748 196 L CB -0.260 41.868 42.059 0.115 0.000 0.891 196 L HN 0.118 nan 8.230 nan 0.000 0.431 197 L N -1.383 119.953 121.223 0.189 0.000 2.131 197 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 197 L C 2.528 179.592 176.870 0.323 0.000 1.087 197 L CA 1.104 56.063 54.840 0.198 0.000 0.767 197 L CB -0.761 41.341 42.059 0.072 0.000 0.917 197 L HN 0.438 nan 8.230 nan 0.000 0.441 198 S N -0.350 115.581 115.700 0.385 0.000 2.404 198 S HA 0.015 4.485 4.470 -0.000 0.000 0.223 198 S C 1.953 176.768 174.600 0.358 0.000 1.040 198 S CA 0.129 58.576 58.200 0.411 0.000 0.957 198 S CB -0.539 62.830 63.200 0.281 0.000 0.826 198 S HN 0.273 nan 8.310 nan 0.000 0.491 199 L N 1.725 123.116 121.223 0.281 0.000 2.131 199 L HA 0.026 4.366 4.340 -0.000 0.000 0.210 199 L C -0.844 176.027 176.870 0.003 0.000 1.092 199 L CA 1.086 55.976 54.840 0.083 0.000 0.759 199 L CB -1.333 40.782 42.059 0.094 0.000 0.903 199 L HN 0.296 nan 8.230 nan 0.000 0.435 200 P HA -0.092 nan 4.420 nan 0.000 0.221 200 P C 1.795 179.096 177.300 0.001 0.000 1.150 200 P CA 0.864 63.979 63.100 0.025 0.000 0.800 200 P CB 0.157 31.881 31.700 0.040 0.000 0.787 201 V N -0.353 119.584 119.914 0.038 0.000 2.323 201 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 201 V C 2.342 178.388 176.094 -0.080 0.000 1.041 201 V CA 1.351 63.654 62.300 0.005 0.000 1.025 201 V CB -1.278 30.626 31.823 0.134 0.000 0.656 201 V HN 0.047 nan 8.190 nan 0.000 0.451 202 L N 1.236 122.361 121.223 -0.163 0.000 2.013 202 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 202 L C 2.474 179.194 176.870 -0.249 0.000 1.073 202 L CA 2.532 57.148 54.840 -0.373 0.000 0.753 202 L CB -0.936 40.597 42.059 -0.876 0.000 0.890 202 L HN 0.240 nan 8.230 nan 0.000 0.432 203 A N -0.682 122.039 122.820 -0.165 0.000 1.940 203 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 203 A C 2.430 180.017 177.584 0.004 0.000 1.176 203 A CA 2.030 54.046 52.037 -0.035 0.000 0.631 203 A CB -1.163 17.870 19.000 0.054 0.000 0.814 203 A HN 0.629 nan 8.150 nan 0.000 0.446 204 A N -0.745 122.049 122.820 -0.044 0.000 1.897 204 A HA 0.207 4.527 4.320 -0.000 0.000 0.215 204 A C 2.381 179.922 177.584 -0.073 0.000 1.181 204 A CA 1.740 53.740 52.037 -0.063 0.000 0.620 204 A CB -1.214 17.730 19.000 -0.092 0.000 0.821 204 A HN 0.693 nan 8.150 nan 0.000 0.443 205 G N 0.648 109.403 108.800 -0.075 0.000 2.403 205 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 205 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 205 G C 1.496 176.476 174.900 0.133 0.000 1.154 205 G CA 1.049 46.148 45.100 -0.001 0.000 0.784 205 G HN 0.768 nan 8.290 nan 0.000 0.538 206 I N -1.429 119.157 120.570 0.026 0.000 2.761 206 I HA 0.018 4.188 4.170 -0.000 0.000 0.261 206 I C 2.216 178.343 176.117 0.017 0.000 1.198 206 I CA 1.341 62.661 61.300 0.033 0.000 1.482 206 I CB -0.695 37.189 38.000 -0.192 0.000 1.100 206 I HN -0.088 nan 8.210 nan 0.000 0.445 207 T N 1.741 116.333 114.554 0.063 0.000 2.737 207 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 207 T C 1.954 176.684 174.700 0.050 0.000 1.038 207 T CA 1.874 64.041 62.100 0.112 0.000 1.144 207 T CB -0.248 68.692 68.868 0.120 0.000 0.866 207 T HN 0.316 nan 8.240 nan 0.000 0.434 208 M N 0.352 119.921 119.600 -0.052 0.000 2.108 208 M HA -0.077 4.403 4.480 -0.000 0.000 0.261 208 M C 2.263 178.654 176.300 0.152 0.000 1.066 208 M CA 1.321 56.496 55.300 -0.208 0.000 1.107 208 M CB -0.471 31.683 32.600 -0.744 0.000 1.356 208 M HN 0.160 nan 8.290 nan 0.000 0.406 209 L N 0.357 121.803 121.223 0.372 0.000 2.046 209 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 209 L C 2.172 179.127 176.870 0.142 0.000 1.077 209 L CA 1.589 56.638 54.840 0.349 0.000 0.747 209 L CB -0.742 41.454 42.059 0.228 0.000 0.896 209 L HN 0.201 nan 8.230 nan 0.000 0.432 210 L N -0.676 120.586 121.223 0.065 0.000 2.042 210 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 210 L C 2.602 179.515 176.870 0.071 0.000 1.076 210 L CA 2.530 57.376 54.840 0.009 0.000 0.749 210 L CB -0.942 41.102 42.059 -0.025 0.000 0.893 210 L HN 0.633 nan 8.230 nan 0.000 0.432 211 T N -4.920 109.705 114.554 0.120 0.000 2.904 211 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 211 T C 1.640 176.406 174.700 0.110 0.000 1.059 211 T CA 1.077 63.257 62.100 0.133 0.000 1.137 211 T CB -0.568 68.419 68.868 0.199 0.000 0.879 211 T HN 0.259 nan 8.240 nan 0.000 0.467 212 D N 1.494 121.976 120.400 0.137 0.000 2.144 212 D HA -0.002 4.638 4.640 -0.000 0.000 0.199 212 D C 2.431 178.772 176.300 0.069 0.000 0.984 212 D CA 0.923 54.977 54.000 0.090 0.000 0.834 212 D CB -0.188 40.690 40.800 0.130 0.000 0.955 212 D HN 0.448 nan 8.370 nan 0.000 0.465 213 R N -0.279 120.264 120.500 0.073 0.000 2.153 213 R HA 0.134 4.474 4.340 -0.000 0.000 0.218 213 R C 1.071 177.400 176.300 0.047 0.000 1.072 213 R CA 0.728 56.859 56.100 0.053 0.000 0.990 213 R CB 0.199 30.521 30.300 0.036 0.000 0.889 213 R HN 0.157 nan 8.270 nan 0.000 0.452 214 N N -0.969 117.762 118.700 0.053 0.000 2.129 214 N HA 0.119 4.859 4.740 -0.000 0.000 0.222 214 N C 0.486 176.025 175.510 0.048 0.000 1.303 214 N CA 0.229 53.312 53.050 0.054 0.000 0.897 214 N CB 1.231 39.762 38.487 0.072 0.000 1.093 214 N HN 0.091 nan 8.380 nan 0.000 0.501 215 L N 0.917 122.166 121.223 0.044 0.000 3.122 215 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 215 L C -0.183 176.688 176.870 0.002 0.000 1.222 215 L CA -0.048 54.810 54.840 0.029 0.000 1.028 215 L CB 0.063 42.148 42.059 0.043 0.000 1.386 215 L HN -0.071 nan 8.230 nan 0.000 0.578 216 N N 0.415 119.113 118.700 -0.002 0.000 2.714 216 N HA -0.148 4.592 4.740 -0.000 0.000 0.250 216 N C 0.564 176.028 175.510 -0.075 0.000 1.117 216 N CA 1.387 54.419 53.050 -0.029 0.000 0.719 216 N CB -1.481 36.991 38.487 -0.024 0.000 1.081 216 N HN 0.568 nan 8.380 nan 0.000 0.557 217 T N -2.368 112.131 114.554 -0.091 0.000 2.766 217 T HA 0.463 4.813 4.350 -0.000 0.000 0.295 217 T C 1.133 175.683 174.700 -0.250 0.000 1.024 217 T CA 0.352 62.306 62.100 -0.242 0.000 1.018 217 T CB 1.459 70.140 68.868 -0.312 0.000 1.002 217 T HN 0.270 nan 8.240 nan 0.000 0.532 218 T N -1.443 112.860 114.554 -0.419 0.000 3.697 218 T HA 0.326 4.676 4.350 -0.000 0.000 0.260 218 T C 0.637 175.161 174.700 -0.294 0.000 0.998 218 T CA -0.670 61.282 62.100 -0.247 0.000 1.128 218 T CB -0.918 67.856 68.868 -0.156 0.000 1.082 218 T HN 0.494 nan 8.240 nan 0.000 0.541 219 F N 0.692 120.427 119.950 -0.359 0.000 2.161 219 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 219 F C 1.253 176.791 175.800 -0.437 0.000 1.089 219 F CA 1.155 58.826 58.000 -0.548 0.000 1.282 219 F CB -0.225 38.106 39.000 -1.115 0.000 1.010 219 F HN 0.355 nan 8.300 nan 0.000 0.485 220 F N -1.398 118.689 119.950 0.229 0.000 2.654 220 F HA 0.205 4.732 4.527 -0.000 0.000 0.303 220 F C 0.080 175.925 175.800 0.074 0.000 1.099 220 F CA -0.853 57.232 58.000 0.142 0.000 1.270 220 F CB -0.302 38.767 39.000 0.114 0.000 1.024 220 F HN -0.259 nan 8.300 nan 0.000 0.548 221 D N 2.026 122.514 120.400 0.146 0.000 2.427 221 D HA 0.257 4.897 4.640 -0.000 0.000 0.226 221 D C -1.899 174.435 176.300 0.057 0.000 1.076 221 D CA -2.665 51.388 54.000 0.088 0.000 0.849 221 D CB 1.916 42.745 40.800 0.048 0.000 1.052 221 D HN -0.131 nan 8.370 nan 0.000 0.515 222 P HA -0.138 nan 4.420 nan 0.000 0.220 222 P C 1.050 178.367 177.300 0.028 0.000 1.144 222 P CA 0.886 64.017 63.100 0.051 0.000 0.800 222 P CB 0.159 31.892 31.700 0.054 0.000 0.772 223 A N -0.039 122.794 122.820 0.021 0.000 2.019 223 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 223 A C 2.258 179.838 177.584 -0.007 0.000 1.164 223 A CA 1.741 53.784 52.037 0.009 0.000 0.644 223 A CB -1.509 17.495 19.000 0.008 0.000 0.805 223 A HN 0.332 nan 8.150 nan 0.000 0.449 224 G N -2.494 106.295 108.800 -0.019 0.000 3.337 224 G HA2 0.411 4.371 3.960 -0.000 0.000 0.246 224 G HA3 0.411 4.371 3.960 -0.000 0.000 0.246 224 G C 0.971 175.846 174.900 -0.041 0.000 1.131 224 G CA 0.423 45.496 45.100 -0.045 0.000 0.773 224 G HN 1.557 nan 8.290 nan 0.000 0.544 225 G N -1.202 107.591 108.800 -0.012 0.000 2.157 225 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.239 225 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.239 225 G C 0.768 175.680 174.900 0.019 0.000 0.982 225 G CA 0.155 45.256 45.100 0.002 0.000 0.650 225 G HN 0.971 nan 8.290 nan 0.000 0.527 226 G N -0.921 107.892 108.800 0.021 0.000 2.563 226 G HA2 0.536 4.496 3.960 -0.000 0.000 0.283 226 G HA3 0.536 4.496 3.960 -0.000 0.000 0.283 226 G C -0.817 174.162 174.900 0.132 0.000 1.309 226 G CA 0.534 45.677 45.100 0.071 0.000 1.022 226 G HN 0.517 nan 8.290 nan 0.000 0.501 227 D N -1.624 118.912 120.400 0.227 0.000 2.861 227 D HA 0.314 4.954 4.640 -0.000 0.000 0.216 227 D C -2.089 174.386 176.300 0.291 0.000 1.323 227 D CA -1.440 52.690 54.000 0.217 0.000 0.917 227 D CB 2.158 43.077 40.800 0.198 0.000 1.582 227 D HN -0.047 nan 8.370 nan 0.000 0.576 228 P HA -0.082 nan 4.420 nan 0.000 0.216 228 P C 1.649 178.934 177.300 -0.025 0.000 1.150 228 P CA 0.487 63.629 63.100 0.069 0.000 0.837 228 P CB 0.321 32.026 31.700 0.008 0.000 0.786 229 I N -1.166 119.415 120.570 0.018 0.000 2.361 229 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 229 I C 2.182 178.317 176.117 0.029 0.000 1.133 229 I CA 1.012 62.289 61.300 -0.038 0.000 1.413 229 I CB -1.740 36.276 38.000 0.026 0.000 1.073 229 I HN -0.009 nan 8.210 nan 0.000 0.424 230 L N 0.474 121.817 121.223 0.200 0.000 2.079 230 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 230 L C 2.617 179.575 176.870 0.146 0.000 1.081 230 L CA 1.825 56.844 54.840 0.298 0.000 0.752 230 L CB -1.094 41.211 42.059 0.409 0.000 0.896 230 L HN 0.285 nan 8.230 nan 0.000 0.433 231 Y N 0.096 120.233 120.300 -0.273 0.000 2.181 231 Y HA -0.276 4.274 4.550 -0.000 0.000 0.288 231 Y C 2.508 178.214 175.900 -0.323 0.000 1.146 231 Y CA 2.114 59.815 58.100 -0.665 0.000 1.164 231 Y CB -0.235 37.408 38.460 -1.361 0.000 0.982 231 Y HN 0.389 nan 8.280 nan 0.000 0.515 232 Q N -0.984 118.669 119.800 -0.246 0.000 2.135 232 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 232 Q C 2.008 178.034 176.000 0.043 0.000 0.981 232 Q CA 1.532 57.217 55.803 -0.197 0.000 0.856 232 Q CB -0.367 28.184 28.738 -0.312 0.000 0.902 232 Q HN 0.617 nan 8.270 nan 0.000 0.425 233 H N 0.576 119.732 119.070 0.144 0.000 2.353 233 H HA -0.059 4.497 4.556 -0.000 0.000 0.300 233 H C 2.200 177.529 175.328 0.001 0.000 1.090 233 H CA 1.116 57.302 56.048 0.229 0.000 1.327 233 H CB -0.123 29.761 29.762 0.203 0.000 1.383 233 H HN 0.211 nan 8.280 nan 0.000 0.508 234 L N -0.693 120.531 121.223 0.002 0.000 2.027 234 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 234 L C 2.515 179.279 176.870 -0.176 0.000 1.074 234 L CA 1.060 55.824 54.840 -0.127 0.000 0.745 234 L CB -0.604 41.351 42.059 -0.173 0.000 0.898 234 L HN 0.100 nan 8.230 nan 0.000 0.433 235 F N 0.006 119.647 119.950 -0.514 0.000 2.046 235 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 235 F C 2.098 177.684 175.800 -0.356 0.000 1.123 235 F CA 1.705 59.367 58.000 -0.564 0.000 1.199 235 F CB -0.431 38.037 39.000 -0.886 0.000 0.972 235 F HN -0.041 nan 8.300 nan 0.000 0.474 236 W N -1.088 120.288 121.300 0.128 0.000 2.519 236 W HA -0.125 4.535 4.660 -0.000 0.000 0.266 236 W C 2.245 178.754 176.519 -0.016 0.000 1.253 236 W CA 0.552 57.941 57.345 0.074 0.000 1.274 236 W CB -0.610 29.060 29.460 0.350 0.000 1.114 236 W HN 0.114 nan 8.180 nan 0.000 0.596 237 F N 0.017 119.896 119.950 -0.119 0.000 2.216 237 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 237 F C 2.180 177.925 175.800 -0.091 0.000 1.085 237 F CA 1.663 59.461 58.000 -0.338 0.000 1.326 237 F CB -0.568 38.078 39.000 -0.591 0.000 1.027 237 F HN -0.029 nan 8.300 nan 0.000 0.497 238 F N 0.288 120.120 119.950 -0.198 0.000 2.219 238 F HA 0.192 4.719 4.527 -0.000 0.000 0.294 238 F C 2.205 177.796 175.800 -0.347 0.000 1.086 238 F CA 1.423 59.260 58.000 -0.272 0.000 1.330 238 F CB -1.146 37.653 39.000 -0.334 0.000 1.047 238 F HN -0.110 nan 8.300 nan 0.000 0.495 239 G N -0.823 107.502 108.800 -0.791 0.000 2.422 239 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 239 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 239 G C 1.409 176.101 174.900 -0.346 0.000 1.146 239 G CA 1.162 45.712 45.100 -0.916 0.000 0.769 239 G HN 0.542 nan 8.290 nan 0.000 0.547 240 H N 1.782 120.830 119.070 -0.037 0.000 2.276 240 H HA 0.006 4.562 4.556 -0.000 0.000 0.301 240 H C 0.221 175.493 175.328 -0.093 0.000 1.073 240 H CA 1.690 57.771 56.048 0.055 0.000 1.311 240 H CB -0.658 29.229 29.762 0.208 0.000 1.379 240 H HN 0.240 nan 8.280 nan 0.000 0.494 241 P HA -0.199 nan 4.420 nan 0.000 0.216 241 P C 1.304 178.332 177.300 -0.453 0.000 1.154 241 P CA 2.098 64.926 63.100 -0.453 0.000 0.865 241 P CB -0.014 31.239 31.700 -0.744 0.000 0.789 242 E N 0.007 119.785 120.200 -0.703 0.000 2.114 242 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 242 E C 1.738 178.029 176.600 -0.515 0.000 1.008 242 E CA 1.930 57.919 56.400 -0.686 0.000 0.810 242 E CB -1.276 27.791 29.700 -1.055 0.000 0.739 242 E HN 0.154 nan 8.360 nan 0.000 0.456 243 V N -1.371 118.192 119.914 -0.584 0.000 2.427 243 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 243 V C 1.965 177.661 176.094 -0.663 0.000 1.051 243 V CA 1.866 63.794 62.300 -0.621 0.000 1.048 243 V CB -1.114 30.326 31.823 -0.637 0.000 0.666 243 V HN 0.252 nan 8.190 nan 0.000 0.456 244 Y N 0.425 120.516 120.300 -0.348 0.000 2.263 244 Y HA 0.134 4.684 4.550 -0.000 0.000 0.292 244 Y C 2.394 178.150 175.900 -0.239 0.000 1.130 244 Y CA 1.508 59.470 58.100 -0.230 0.000 1.179 244 Y CB -0.517 37.853 38.460 -0.151 0.000 0.998 244 Y HN 0.161 nan 8.280 nan 0.000 0.532 245 I N -0.299 120.190 120.570 -0.136 0.000 2.194 245 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 245 I C 2.005 178.014 176.117 -0.181 0.000 1.093 245 I CA 1.525 62.739 61.300 -0.143 0.000 1.355 245 I CB -0.415 37.494 38.000 -0.152 0.000 1.046 245 I HN 0.215 nan 8.210 nan 0.000 0.413 246 L N -0.654 120.421 121.223 -0.247 0.000 2.217 246 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 246 L C 2.258 179.010 176.870 -0.197 0.000 1.107 246 L CA 0.855 55.557 54.840 -0.229 0.000 0.783 246 L CB -0.134 41.749 42.059 -0.294 0.000 0.919 246 L HN 0.256 nan 8.230 nan 0.000 0.442 247 I N -1.271 119.139 120.570 -0.266 0.000 3.526 247 I HA -0.047 4.123 4.170 -0.000 0.000 0.294 247 I C 1.989 177.790 176.117 -0.527 0.000 1.229 247 I CA 0.783 61.873 61.300 -0.350 0.000 1.408 247 I CB 0.200 37.944 38.000 -0.427 0.000 1.127 247 I HN 0.007 nan 8.210 nan 0.000 0.439 248 L N 1.356 122.337 121.223 -0.404 0.000 2.013 248 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 248 L C -0.466 176.380 176.870 -0.040 0.000 1.073 248 L CA 1.764 56.454 54.840 -0.250 0.000 0.753 248 L CB -1.760 40.268 42.059 -0.051 0.000 0.890 248 L HN 0.201 nan 8.230 nan 0.000 0.432 249 P HA -0.111 nan 4.420 nan 0.000 0.222 249 P C 1.469 178.890 177.300 0.202 0.000 1.147 249 P CA 1.503 64.660 63.100 0.096 0.000 0.790 249 P CB -0.176 31.576 31.700 0.087 0.000 0.780 250 G N -1.264 107.567 108.800 0.051 0.000 2.402 250 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 250 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 250 G C 1.457 176.365 174.900 0.015 0.000 1.162 250 G CA 0.194 45.292 45.100 -0.004 0.000 0.777 250 G HN 0.237 nan 8.290 nan 0.000 0.539 251 F N 1.298 121.250 119.950 0.004 0.000 2.134 251 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 251 F C 3.022 178.971 175.800 0.248 0.000 1.097 251 F CA 0.252 58.336 58.000 0.140 0.000 1.264 251 F CB -0.167 39.013 39.000 0.301 0.000 1.001 251 F HN 0.270 nan 8.300 nan 0.000 0.479 252 G N 0.647 109.743 108.800 0.493 0.000 2.514 252 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 252 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 252 G C 1.570 176.794 174.900 0.539 0.000 1.198 252 G CA 0.986 46.424 45.100 0.563 0.000 0.780 252 G HN 0.203 nan 8.290 nan 0.000 0.565 253 M N 0.073 119.880 119.600 0.345 0.000 2.117 253 M HA -0.015 4.465 4.480 -0.000 0.000 0.262 253 M C 2.551 178.891 176.300 0.066 0.000 1.065 253 M CA 0.946 56.324 55.300 0.131 0.000 1.114 253 M CB -0.404 32.145 32.600 -0.084 0.000 1.361 253 M HN 0.127 nan 8.290 nan 0.000 0.408 254 I N 0.012 120.501 120.570 -0.135 0.000 2.163 254 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 254 I C 2.482 178.463 176.117 -0.226 0.000 1.085 254 I CA 1.552 62.599 61.300 -0.423 0.000 1.347 254 I CB -1.413 35.911 38.000 -1.126 0.000 1.044 254 I HN 0.252 nan 8.210 nan 0.000 0.408 255 S N -0.437 115.355 115.700 0.153 0.000 2.370 255 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 255 S C 1.896 176.654 174.600 0.262 0.000 1.033 255 S CA 1.132 59.571 58.200 0.399 0.000 1.011 255 S CB -0.489 63.049 63.200 0.563 0.000 0.852 255 S HN 0.492 nan 8.310 nan 0.000 0.457 256 H N 0.169 119.359 119.070 0.200 0.000 2.389 256 H HA 0.042 4.598 4.556 -0.000 0.000 0.299 256 H C 2.125 177.439 175.328 -0.025 0.000 1.081 256 H CA 1.341 57.497 56.048 0.179 0.000 1.345 256 H CB -0.145 29.812 29.762 0.324 0.000 1.393 256 H HN 0.356 nan 8.280 nan 0.000 0.520 257 I N 0.149 120.698 120.570 -0.035 0.000 2.252 257 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 257 I C 2.503 178.616 176.117 -0.006 0.000 1.102 257 I CA 0.566 61.745 61.300 -0.201 0.000 1.385 257 I CB -0.094 37.775 38.000 -0.217 0.000 1.064 257 I HN -0.006 nan 8.210 nan 0.000 0.414 258 V N 0.465 120.364 119.914 -0.026 0.000 2.295 258 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 258 V C 2.514 178.633 176.094 0.042 0.000 1.049 258 V CA 2.503 64.808 62.300 0.007 0.000 1.024 258 V CB -1.005 30.811 31.823 -0.011 0.000 0.648 258 V HN 0.461 nan 8.190 nan 0.000 0.447 259 T N -0.999 113.593 114.554 0.063 0.000 2.684 259 T HA -0.274 4.076 4.350 -0.000 0.000 0.267 259 T C 1.731 176.407 174.700 -0.041 0.000 1.036 259 T CA 2.333 64.458 62.100 0.042 0.000 1.148 259 T CB -0.421 68.479 68.868 0.054 0.000 0.863 259 T HN 0.564 nan 8.240 nan 0.000 0.436 260 Y N 0.607 120.780 120.300 -0.213 0.000 2.114 260 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 260 Y C 1.862 177.454 175.900 -0.513 0.000 1.143 260 Y CA 1.406 59.261 58.100 -0.409 0.000 1.135 260 Y CB -0.311 37.775 38.460 -0.623 0.000 0.980 260 Y HN 0.250 nan 8.280 nan 0.000 0.499 261 Y N -0.929 119.369 120.300 -0.003 0.000 2.529 261 Y HA 0.015 4.565 4.550 -0.000 0.000 0.290 261 Y C 2.137 177.926 175.900 -0.185 0.000 1.177 261 Y CA 0.766 58.805 58.100 -0.102 0.000 1.305 261 Y CB -0.187 38.197 38.460 -0.127 0.000 1.047 261 Y HN 0.022 nan 8.280 nan 0.000 0.522 262 S N -0.772 114.888 115.700 -0.066 0.000 2.593 262 S HA 0.179 4.649 4.470 -0.000 0.000 0.217 262 S C 1.766 176.292 174.600 -0.122 0.000 0.966 262 S CA 0.597 58.743 58.200 -0.088 0.000 0.914 262 S CB -0.284 62.890 63.200 -0.042 0.000 0.776 262 S HN 0.672 nan 8.310 nan 0.000 0.523 263 G N 1.534 110.213 108.800 -0.202 0.000 2.176 263 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 263 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 263 G C -0.099 174.695 174.900 -0.176 0.000 1.024 263 G CA 0.248 45.212 45.100 -0.226 0.000 0.755 263 G HN 0.420 nan 8.290 nan 0.000 0.507 264 K N -0.356 119.953 120.400 -0.152 0.000 2.118 264 K HA 0.579 4.899 4.320 -0.000 0.000 0.254 264 K C 1.494 178.047 176.600 -0.077 0.000 0.961 264 K CA -0.320 55.920 56.287 -0.078 0.000 0.876 264 K CB 0.935 33.428 32.500 -0.013 0.000 1.077 264 K HN 0.189 nan 8.250 nan 0.000 0.440 265 K N 1.351 121.727 120.400 -0.040 0.000 2.400 265 K HA 0.025 4.345 4.320 -0.000 0.000 0.194 265 K C -0.447 176.158 176.600 0.008 0.000 1.033 265 K CA 0.611 56.883 56.287 -0.025 0.000 1.021 265 K CB 0.194 32.683 32.500 -0.018 0.000 0.808 265 K HN 0.644 nan 8.250 nan 0.000 0.505 266 E N 0.679 120.894 120.200 0.026 0.000 2.390 266 E HA 0.335 4.685 4.350 -0.000 0.000 0.280 266 E C -3.089 173.572 176.600 0.102 0.000 0.992 266 E CA -2.398 54.035 56.400 0.055 0.000 0.790 266 E CB 1.530 31.249 29.700 0.032 0.000 1.248 266 E HN -0.182 nan 8.360 nan 0.000 0.447 267 P HA 0.088 nan 4.420 nan 0.000 0.272 267 P C -0.599 176.840 177.300 0.232 0.000 1.223 267 P CA -0.336 62.895 63.100 0.218 0.000 0.784 267 P CB 0.389 32.242 31.700 0.254 0.000 0.923 268 F N 1.474 121.495 119.950 0.119 0.000 2.529 268 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 268 F C 1.402 177.253 175.800 0.085 0.000 1.102 268 F CA 1.376 59.433 58.000 0.095 0.000 1.271 268 F CB -0.131 38.923 39.000 0.090 0.000 1.120 268 F HN 0.699 nan 8.300 nan 0.000 0.579 269 G N 5.597 114.079 108.800 -0.531 0.000 2.333 269 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.296 269 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.296 269 G C 0.407 175.297 174.900 -0.017 0.000 1.059 269 G CA 0.567 45.487 45.100 -0.300 0.000 1.050 269 G HN 1.040 nan 8.290 nan 0.000 0.508 270 Y N 0.254 120.496 120.300 -0.096 0.000 2.069 270 Y HA -0.267 4.283 4.550 -0.000 0.000 0.278 270 Y C 2.677 178.544 175.900 -0.055 0.000 1.175 270 Y CA 2.719 60.803 58.100 -0.027 0.000 1.134 270 Y CB -0.076 38.387 38.460 0.005 0.000 0.965 270 Y HN 0.397 nan 8.280 nan 0.000 0.498 271 M N -0.209 119.440 119.600 0.083 0.000 2.229 271 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 271 M C 2.431 178.672 176.300 -0.098 0.000 1.063 271 M CA 1.341 56.601 55.300 -0.067 0.000 1.114 271 M CB -1.880 30.706 32.600 -0.024 0.000 1.387 271 M HN 0.501 nan 8.290 nan 0.000 0.420 272 G N 0.071 108.836 108.800 -0.058 0.000 2.422 272 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 272 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 272 G C 1.542 176.487 174.900 0.075 0.000 1.146 272 G CA 0.561 45.678 45.100 0.027 0.000 0.769 272 G HN 0.262 nan 8.290 nan 0.000 0.547 273 M N 0.344 119.894 119.600 -0.082 0.000 2.156 273 M HA 0.034 4.514 4.480 -0.000 0.000 0.264 273 M C 2.795 178.953 176.300 -0.238 0.000 1.067 273 M CA 0.633 55.843 55.300 -0.150 0.000 1.131 273 M CB -1.014 31.489 32.600 -0.162 0.000 1.368 273 M HN 0.113 nan 8.290 nan 0.000 0.416 274 V N -0.801 118.843 119.914 -0.450 0.000 2.255 274 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 274 V C 2.099 177.982 176.094 -0.351 0.000 1.051 274 V CA 2.106 64.011 62.300 -0.657 0.000 1.018 274 V CB -0.982 30.186 31.823 -1.093 0.000 0.641 274 V HN 0.658 nan 8.190 nan 0.000 0.445 275 W N 1.110 122.210 121.300 -0.333 0.000 2.338 275 W HA -0.228 4.432 4.660 -0.000 0.000 0.304 275 W C 2.374 178.813 176.519 -0.133 0.000 1.212 275 W CA 2.223 59.447 57.345 -0.203 0.000 1.264 275 W CB -0.330 29.034 29.460 -0.160 0.000 1.142 275 W HN 0.194 nan 8.180 nan 0.000 0.512 276 A N 0.232 122.946 122.820 -0.177 0.000 1.898 276 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 276 A C 2.056 179.452 177.584 -0.313 0.000 1.181 276 A CA 1.896 53.705 52.037 -0.381 0.000 0.620 276 A CB -0.808 18.139 19.000 -0.089 0.000 0.819 276 A HN 0.410 nan 8.150 nan 0.000 0.442 277 M N -1.016 118.482 119.600 -0.169 0.000 2.132 277 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 277 M C 2.336 178.596 176.300 -0.068 0.000 1.065 277 M CA 1.275 56.559 55.300 -0.027 0.000 1.122 277 M CB -0.435 32.197 32.600 0.054 0.000 1.365 277 M HN 0.382 nan 8.290 nan 0.000 0.411 278 M N -0.480 119.033 119.600 -0.146 0.000 2.080 278 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 278 M C 2.248 178.470 176.300 -0.130 0.000 1.068 278 M CA 1.619 56.862 55.300 -0.094 0.000 1.109 278 M CB -1.135 31.395 32.600 -0.118 0.000 1.342 278 M HN 0.216 nan 8.290 nan 0.000 0.405 279 S N 0.894 116.366 115.700 -0.380 0.000 2.368 279 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 279 S C 1.952 176.453 174.600 -0.166 0.000 1.029 279 S CA 1.047 59.028 58.200 -0.365 0.000 0.988 279 S CB -0.330 62.347 63.200 -0.871 0.000 0.838 279 S HN 0.363 nan 8.310 nan 0.000 0.462 280 I N 1.523 121.971 120.570 -0.204 0.000 2.226 280 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 280 I C 2.682 178.675 176.117 -0.207 0.000 1.100 280 I CA 1.154 62.335 61.300 -0.197 0.000 1.374 280 I CB -0.796 37.161 38.000 -0.072 0.000 1.057 280 I HN 0.376 nan 8.210 nan 0.000 0.413 281 G N 0.548 109.314 108.800 -0.057 0.000 2.446 281 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 281 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 281 G C 1.608 176.599 174.900 0.151 0.000 1.168 281 G CA 0.661 45.780 45.100 0.032 0.000 0.771 281 G HN 0.346 nan 8.290 nan 0.000 0.551 282 F N 1.201 121.176 119.950 0.041 0.000 2.075 282 F HA 0.035 4.562 4.527 -0.000 0.000 0.297 282 F C 2.383 178.258 175.800 0.125 0.000 1.113 282 F CA 1.318 59.387 58.000 0.116 0.000 1.218 282 F CB -0.215 38.803 39.000 0.030 0.000 0.984 282 F HN 0.026 nan 8.300 nan 0.000 0.472 283 L N -0.044 121.197 121.223 0.030 0.000 2.465 283 L HA -0.040 4.300 4.340 -0.000 0.000 0.224 283 L C 2.524 179.281 176.870 -0.188 0.000 1.145 283 L CA 0.786 55.574 54.840 -0.086 0.000 0.834 283 L CB -1.256 40.794 42.059 -0.016 0.000 0.944 283 L HN 0.364 nan 8.230 nan 0.000 0.451 284 G N -0.790 107.855 108.800 -0.258 0.000 2.598 284 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 284 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 284 G C 1.081 175.813 174.900 -0.280 0.000 1.131 284 G CA 0.048 44.965 45.100 -0.305 0.000 0.785 284 G HN 0.278 nan 8.290 nan 0.000 0.539 285 F N 0.270 120.126 119.950 -0.156 0.000 2.765 285 F HA 0.311 4.838 4.527 -0.000 0.000 0.302 285 F C 1.755 177.595 175.800 0.067 0.000 1.111 285 F CA -0.174 57.713 58.000 -0.189 0.000 1.359 285 F CB 0.371 39.223 39.000 -0.247 0.000 1.097 285 F HN 0.227 nan 8.300 nan 0.000 0.577 286 I N -2.262 118.435 120.570 0.210 0.000 3.817 286 I HA 0.247 4.417 4.170 -0.000 0.000 0.325 286 I C 0.356 176.595 176.117 0.202 0.000 1.550 286 I CA -0.015 61.483 61.300 0.330 0.000 1.100 286 I CB 0.169 38.270 38.000 0.169 0.000 1.216 286 I HN -0.106 nan 8.210 nan 0.000 0.481 287 V N -3.424 116.579 119.914 0.149 0.000 3.432 287 V HA 0.219 4.339 4.120 -0.000 0.000 0.298 287 V C 1.709 177.620 176.094 -0.306 0.000 1.464 287 V CA -0.124 62.134 62.300 -0.070 0.000 1.046 287 V CB -0.959 30.634 31.823 -0.383 0.000 0.887 287 V HN 0.692 nan 8.190 nan 0.000 0.441 288 W N 2.010 123.295 121.300 -0.026 0.000 2.364 288 W HA 0.096 4.756 4.660 -0.000 0.000 0.281 288 W C 1.797 178.129 176.519 -0.312 0.000 1.219 288 W CA 1.553 58.859 57.345 -0.064 0.000 1.220 288 W CB -0.730 28.845 29.460 0.190 0.000 1.127 288 W HN 0.224 nan 8.180 nan 0.000 0.556 289 A N 1.676 123.543 122.820 -1.587 0.000 2.235 289 A HA -0.095 4.225 4.320 -0.000 0.000 0.208 289 A C 1.776 178.575 177.584 -1.310 0.000 1.172 289 A CA 0.944 52.103 52.037 -1.464 0.000 0.786 289 A CB -1.806 15.967 19.000 -2.046 0.000 0.804 289 A HN 0.788 nan 8.150 nan 0.000 0.479 290 H N -2.586 115.750 119.070 -1.224 0.000 2.560 290 H HA -0.060 4.496 4.556 -0.000 0.000 0.283 290 H C 0.756 175.238 175.328 -1.410 0.000 1.028 290 H CA 0.955 55.978 56.048 -1.709 0.000 1.221 290 H CB -0.369 28.785 29.762 -1.013 0.000 1.363 290 H HN 0.646 nan 8.280 nan 0.000 0.594 291 H N 0.472 119.147 119.070 -0.659 0.000 2.533 291 H HA 0.173 4.729 4.556 -0.000 0.000 0.271 291 H C 0.573 175.550 175.328 -0.585 0.000 1.000 291 H CA 0.433 56.015 56.048 -0.777 0.000 1.149 291 H CB 0.389 29.115 29.762 -1.726 0.000 1.375 291 H HN 0.535 nan 8.280 nan 0.000 0.582 292 M N -0.706 118.584 119.600 -0.517 0.000 2.848 292 M HA 0.104 4.584 4.480 -0.000 0.000 0.420 292 M C 0.085 176.241 176.300 -0.240 0.000 1.304 292 M CA -0.152 54.960 55.300 -0.314 0.000 0.844 292 M CB 0.547 33.002 32.600 -0.242 0.000 1.451 292 M HN -0.088 nan 8.290 nan 0.000 0.511 293 F N 0.891 120.668 119.950 -0.290 0.000 2.604 293 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 293 F C 2.464 178.153 175.800 -0.185 0.000 1.131 293 F CA 1.287 59.163 58.000 -0.208 0.000 1.457 293 F CB -0.531 38.363 39.000 -0.177 0.000 1.095 293 F HN 0.252 nan 8.300 nan 0.000 0.574 294 T N -3.704 110.796 114.554 -0.091 0.000 3.105 294 T HA 0.113 4.463 4.350 -0.000 0.000 0.253 294 T C 1.677 176.368 174.700 -0.015 0.000 1.047 294 T CA 0.674 62.743 62.100 -0.052 0.000 0.944 294 T CB -0.694 68.137 68.868 -0.061 0.000 1.016 294 T HN 0.115 nan 8.240 nan 0.000 0.544 295 V N -0.981 118.919 119.914 -0.024 0.000 3.141 295 V HA 0.487 4.607 4.120 -0.000 0.000 0.265 295 V C 1.376 177.488 176.094 0.029 0.000 1.126 295 V CA 0.568 62.868 62.300 0.001 0.000 1.141 295 V CB -1.343 30.465 31.823 -0.026 0.000 0.743 295 V HN 0.867 nan 8.190 nan 0.000 0.492 296 G N 0.149 108.972 108.800 0.038 0.000 2.754 296 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 296 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 296 G C -0.492 174.446 174.900 0.062 0.000 1.121 296 G CA 0.109 45.237 45.100 0.048 0.000 0.954 296 G HN 0.494 nan 8.290 nan 0.000 0.511 297 M N 0.873 120.515 119.600 0.070 0.000 2.336 297 M HA 0.335 4.815 4.480 -0.000 0.000 0.342 297 M C -0.104 176.249 176.300 0.088 0.000 1.128 297 M CA -0.836 54.522 55.300 0.096 0.000 1.016 297 M CB 0.840 33.517 32.600 0.128 0.000 1.665 297 M HN 0.215 nan 8.290 nan 0.000 0.445 298 D N 1.664 122.121 120.400 0.095 0.000 2.390 298 D HA -0.063 4.577 4.640 -0.000 0.000 0.236 298 D C 0.880 177.226 176.300 0.077 0.000 1.189 298 D CA 0.049 54.095 54.000 0.077 0.000 0.887 298 D CB 1.018 41.865 40.800 0.077 0.000 1.198 298 D HN 0.366 nan 8.370 nan 0.000 0.444 299 V N 1.414 121.358 119.914 0.051 0.000 2.427 299 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 299 V C 1.287 177.413 176.094 0.054 0.000 1.051 299 V CA 1.773 64.094 62.300 0.035 0.000 1.048 299 V CB -0.104 31.726 31.823 0.012 0.000 0.666 299 V HN 0.390 nan 8.190 nan 0.000 0.456 300 D N -0.508 119.932 120.400 0.065 0.000 2.144 300 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 300 D C 2.240 178.622 176.300 0.136 0.000 0.978 300 D CA 1.799 55.845 54.000 0.077 0.000 0.833 300 D CB -0.396 40.439 40.800 0.059 0.000 0.961 300 D HN 0.426 nan 8.370 nan 0.000 0.470 301 T N 0.622 115.276 114.554 0.167 0.000 2.746 301 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 301 T C 1.995 176.951 174.700 0.427 0.000 1.039 301 T CA 0.843 63.122 62.100 0.298 0.000 1.142 301 T CB 0.037 69.068 68.868 0.271 0.000 0.866 301 T HN 0.126 nan 8.240 nan 0.000 0.444 302 R N 0.614 121.279 120.500 0.276 0.000 2.081 302 R HA -0.021 4.319 4.340 -0.000 0.000 0.235 302 R C 2.755 179.127 176.300 0.119 0.000 1.131 302 R CA 1.340 57.570 56.100 0.216 0.000 0.960 302 R CB -0.419 29.870 30.300 -0.018 0.000 0.856 302 R HN 0.364 nan 8.270 nan 0.000 0.436 303 A N 0.210 123.077 122.820 0.077 0.000 1.898 303 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 303 A C 1.975 179.582 177.584 0.039 0.000 1.181 303 A CA 1.198 53.250 52.037 0.026 0.000 0.620 303 A CB -0.690 18.326 19.000 0.027 0.000 0.819 303 A HN 0.510 nan 8.150 nan 0.000 0.442 304 Y N -0.871 119.430 120.300 0.002 0.000 2.200 304 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 304 Y C 1.853 177.659 175.900 -0.156 0.000 1.137 304 Y CA 1.824 59.860 58.100 -0.107 0.000 1.163 304 Y CB -0.436 37.902 38.460 -0.203 0.000 0.988 304 Y HN 0.228 nan 8.280 nan 0.000 0.518 305 F N 0.143 119.999 119.950 -0.156 0.000 2.234 305 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 305 F C 2.489 178.231 175.800 -0.096 0.000 1.087 305 F CA 1.827 59.676 58.000 -0.252 0.000 1.340 305 F CB -0.868 38.123 39.000 -0.014 0.000 1.031 305 F HN -0.009 nan 8.300 nan 0.000 0.500 306 T N -1.072 113.595 114.554 0.189 0.000 2.746 306 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 306 T C 2.275 176.956 174.700 -0.032 0.000 1.039 306 T CA 1.841 64.009 62.100 0.115 0.000 1.142 306 T CB -0.317 68.533 68.868 -0.031 0.000 0.866 306 T HN 0.167 nan 8.240 nan 0.000 0.444 307 S N 1.151 116.766 115.700 -0.142 0.000 2.357 307 S HA 0.076 4.546 4.470 -0.000 0.000 0.221 307 S C 2.577 177.055 174.600 -0.204 0.000 1.031 307 S CA 0.835 58.944 58.200 -0.152 0.000 0.982 307 S CB -0.512 62.589 63.200 -0.165 0.000 0.853 307 S HN 0.560 nan 8.310 nan 0.000 0.458 308 A N 1.514 124.076 122.820 -0.431 0.000 1.902 308 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 308 A C 2.305 179.779 177.584 -0.183 0.000 1.181 308 A CA 2.097 53.904 52.037 -0.384 0.000 0.623 308 A CB -1.422 17.136 19.000 -0.738 0.000 0.818 308 A HN 0.468 nan 8.150 nan 0.000 0.443 309 T N 0.208 114.691 114.554 -0.120 0.000 2.684 309 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 309 T C 1.950 176.669 174.700 0.031 0.000 1.036 309 T CA 1.886 64.006 62.100 0.033 0.000 1.148 309 T CB -0.350 68.640 68.868 0.202 0.000 0.863 309 T HN 0.466 nan 8.240 nan 0.000 0.436 310 M N 0.345 119.949 119.600 0.006 0.000 2.080 310 M HA -0.040 4.440 4.480 -0.000 0.000 0.260 310 M C 2.280 178.595 176.300 0.026 0.000 1.068 310 M CA 1.623 56.932 55.300 0.014 0.000 1.109 310 M CB -0.707 31.892 32.600 -0.001 0.000 1.342 310 M HN 0.211 nan 8.290 nan 0.000 0.405 311 I N 0.357 120.932 120.570 0.009 0.000 2.300 311 I HA -0.344 3.825 4.170 -0.000 0.000 0.252 311 I C 2.294 178.438 176.117 0.045 0.000 1.119 311 I CA 1.147 62.466 61.300 0.030 0.000 1.384 311 I CB -0.555 37.455 38.000 0.017 0.000 1.062 311 I HN 0.335 nan 8.210 nan 0.000 0.426 312 I N 0.883 121.473 120.570 0.033 0.000 2.361 312 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 312 I C 2.778 178.952 176.117 0.095 0.000 1.133 312 I CA 1.383 62.708 61.300 0.042 0.000 1.413 312 I CB -0.908 37.126 38.000 0.057 0.000 1.073 312 I HN 0.216 nan 8.210 nan 0.000 0.424 313 A N 0.976 123.858 122.820 0.103 0.000 2.070 313 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 313 A C 2.265 179.918 177.584 0.115 0.000 1.159 313 A CA 1.100 53.205 52.037 0.113 0.000 0.656 313 A CB -0.508 18.542 19.000 0.084 0.000 0.800 313 A HN 0.376 nan 8.150 nan 0.000 0.453 314 I N 0.445 121.084 120.570 0.115 0.000 2.110 314 I HA -0.131 4.039 4.170 -0.000 0.000 0.236 314 I C -0.210 176.019 176.117 0.187 0.000 1.068 314 I CA 1.355 62.750 61.300 0.160 0.000 1.333 314 I CB -1.343 36.766 38.000 0.181 0.000 1.054 314 I HN 0.214 nan 8.210 nan 0.000 0.402 315 P HA -0.155 nan 4.420 nan 0.000 0.218 315 P C 1.524 178.839 177.300 0.026 0.000 1.148 315 P CA 1.739 64.850 63.100 0.020 0.000 0.822 315 P CB -0.348 31.118 31.700 -0.390 0.000 0.784 316 T N -0.499 114.096 114.554 0.068 0.000 2.788 316 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 316 T C 2.154 176.851 174.700 -0.004 0.000 1.044 316 T CA 1.797 63.954 62.100 0.094 0.000 1.139 316 T CB -1.092 67.942 68.868 0.276 0.000 0.867 316 T HN 0.236 nan 8.240 nan 0.000 0.454 317 G N 1.107 109.917 108.800 0.018 0.000 2.394 317 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 317 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 317 G C 1.679 176.532 174.900 -0.077 0.000 1.165 317 G CA 0.607 45.649 45.100 -0.096 0.000 0.784 317 G HN 0.415 nan 8.290 nan 0.000 0.535 318 V N 0.889 120.867 119.914 0.106 0.000 2.357 318 V HA -0.335 3.785 4.120 -0.000 0.000 0.257 318 V C 2.789 178.811 176.094 -0.119 0.000 1.082 318 V CA 2.494 64.858 62.300 0.107 0.000 1.078 318 V CB -0.415 31.546 31.823 0.231 0.000 0.663 318 V HN 0.395 nan 8.190 nan 0.000 0.455 319 K N -0.789 119.395 120.400 -0.360 0.000 2.044 319 K HA -0.041 4.279 4.320 -0.000 0.000 0.204 319 K C 2.113 178.045 176.600 -1.113 0.000 1.049 319 K CA 1.160 56.926 56.287 -0.869 0.000 0.945 319 K CB -0.309 31.547 32.500 -1.073 0.000 0.724 319 K HN 0.358 nan 8.250 nan 0.000 0.440 320 V N 1.297 120.807 119.914 -0.673 0.000 2.255 320 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 320 V C 2.050 178.023 176.094 -0.201 0.000 1.051 320 V CA 1.884 64.011 62.300 -0.289 0.000 1.018 320 V CB -0.588 31.087 31.823 -0.247 0.000 0.641 320 V HN 0.218 nan 8.190 nan 0.000 0.445 321 F N 0.290 120.212 119.950 -0.047 0.000 2.269 321 F HA -0.145 4.382 4.527 -0.000 0.000 0.301 321 F C 2.559 178.297 175.800 -0.103 0.000 1.082 321 F CA 1.212 59.184 58.000 -0.048 0.000 1.360 321 F CB -0.377 38.592 39.000 -0.053 0.000 1.041 321 F HN 0.084 nan 8.300 nan 0.000 0.512 322 S N -1.134 114.555 115.700 -0.018 0.000 2.436 322 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 322 S C 1.628 176.265 174.600 0.062 0.000 1.014 322 S CA 0.444 58.653 58.200 0.015 0.000 0.950 322 S CB -0.245 62.977 63.200 0.038 0.000 0.784 322 S HN 0.395 nan 8.310 nan 0.000 0.504 323 W N 1.956 123.305 121.300 0.082 0.000 2.409 323 W HA 0.154 4.814 4.660 -0.000 0.000 0.299 323 W C 1.862 178.418 176.519 0.062 0.000 1.203 323 W CA 0.113 57.502 57.345 0.073 0.000 1.298 323 W CB -1.225 28.276 29.460 0.068 0.000 1.127 323 W HN 0.297 nan 8.180 nan 0.000 0.528 324 L N 0.330 121.724 121.223 0.283 0.000 2.046 324 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 324 L C 2.607 179.521 176.870 0.072 0.000 1.077 324 L CA 1.596 56.544 54.840 0.179 0.000 0.747 324 L CB -1.411 40.763 42.059 0.191 0.000 0.896 324 L HN -0.138 nan 8.230 nan 0.000 0.432 325 A N -0.596 122.182 122.820 -0.070 0.000 2.067 325 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 325 A C 2.321 179.870 177.584 -0.058 0.000 1.158 325 A CA 2.005 53.854 52.037 -0.313 0.000 0.661 325 A CB -0.680 17.628 19.000 -1.153 0.000 0.801 325 A HN 0.392 nan 8.150 nan 0.000 0.452 326 T N 0.287 114.917 114.554 0.126 0.000 2.857 326 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 326 T C 1.738 176.524 174.700 0.142 0.000 1.048 326 T CA 1.258 63.486 62.100 0.214 0.000 1.139 326 T CB -0.295 68.737 68.868 0.273 0.000 0.874 326 T HN 0.389 nan 8.240 nan 0.000 0.455 327 L N 0.215 121.514 121.223 0.126 0.000 2.141 327 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 327 L C 1.295 178.211 176.870 0.077 0.000 1.094 327 L CA 0.477 55.360 54.840 0.071 0.000 0.763 327 L CB -0.681 41.416 42.059 0.062 0.000 0.908 327 L HN 0.316 nan 8.230 nan 0.000 0.437 328 H N 0.763 119.834 119.070 0.001 0.000 3.184 328 H HA 0.208 4.764 4.556 -0.000 0.000 0.274 328 H C 1.088 176.420 175.328 0.006 0.000 0.962 328 H CA 0.359 56.402 56.048 -0.007 0.000 1.441 328 H CB 0.062 29.799 29.762 -0.042 0.000 1.518 328 H HN 0.298 nan 8.280 nan 0.000 0.539 329 G N 2.918 111.505 108.800 -0.354 0.000 2.176 329 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 329 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 329 G C 0.720 175.538 174.900 -0.137 0.000 0.979 329 G CA 0.158 45.070 45.100 -0.314 0.000 0.641 329 G HN 1.035 nan 8.290 nan 0.000 0.530 330 G N -0.281 108.466 108.800 -0.088 0.000 2.569 330 G HA2 0.403 4.363 3.960 -0.000 0.000 0.249 330 G HA3 0.403 4.363 3.960 -0.000 0.000 0.249 330 G C 0.109 174.965 174.900 -0.074 0.000 1.216 330 G CA 0.286 45.344 45.100 -0.070 0.000 0.845 330 G HN 0.554 nan 8.290 nan 0.000 0.568 331 N N 1.118 119.773 118.700 -0.076 0.000 2.555 331 N HA 0.058 4.798 4.740 -0.000 0.000 0.244 331 N C -0.010 175.449 175.510 -0.085 0.000 1.114 331 N CA -0.576 52.435 53.050 -0.066 0.000 0.963 331 N CB 0.011 38.458 38.487 -0.065 0.000 1.276 331 N HN 0.094 nan 8.380 nan 0.000 0.510 332 I N 2.075 122.584 120.570 -0.101 0.000 2.416 332 I HA 0.098 4.268 4.170 -0.000 0.000 0.288 332 I C 0.685 176.657 176.117 -0.242 0.000 1.051 332 I CA -0.393 60.765 61.300 -0.237 0.000 1.375 332 I CB 0.335 38.096 38.000 -0.399 0.000 1.407 332 I HN 0.424 nan 8.210 nan 0.000 0.516 333 K N 6.429 126.709 120.400 -0.200 0.000 2.263 333 K HA 0.230 4.550 4.320 -0.000 0.000 0.272 333 K C -0.944 175.522 176.600 -0.224 0.000 1.033 333 K CA -0.210 56.034 56.287 -0.072 0.000 0.884 333 K CB 0.437 33.014 32.500 0.129 0.000 1.107 333 K HN 0.380 nan 8.250 nan 0.000 0.460 334 W N 4.756 126.023 121.300 -0.056 0.000 1.694 334 W HA 0.157 4.817 4.660 -0.000 0.000 0.425 334 W C 0.091 176.494 176.519 -0.193 0.000 0.615 334 W CA -0.597 56.665 57.345 -0.139 0.000 2.237 334 W CB -0.201 29.189 29.460 -0.115 0.000 1.478 334 W HN 0.553 nan 8.180 nan 0.000 0.427 335 S N 0.003 115.587 115.700 -0.193 0.000 2.614 335 S HA 0.266 4.736 4.470 -0.000 0.000 0.265 335 S C -1.291 173.126 174.600 -0.306 0.000 1.303 335 S CA -1.135 56.903 58.200 -0.270 0.000 1.000 335 S CB 1.348 64.194 63.200 -0.589 0.000 0.935 335 S HN -0.009 nan 8.310 nan 0.000 0.551 336 P HA -0.103 nan 4.420 nan 0.000 0.215 336 P C 1.558 178.816 177.300 -0.070 0.000 1.153 336 P CA 1.970 65.009 63.100 -0.102 0.000 0.853 336 P CB -0.393 31.372 31.700 0.109 0.000 0.788 337 A N -0.640 122.097 122.820 -0.138 0.000 1.908 337 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 337 A C 2.298 179.719 177.584 -0.271 0.000 1.181 337 A CA 2.412 54.388 52.037 -0.101 0.000 0.627 337 A CB -1.467 17.450 19.000 -0.139 0.000 0.818 337 A HN 0.134 nan 8.150 nan 0.000 0.445 338 M N -0.431 118.794 119.600 -0.625 0.000 2.117 338 M HA -0.086 4.394 4.480 -0.000 0.000 0.262 338 M C 2.058 178.149 176.300 -0.348 0.000 1.065 338 M CA 1.847 56.880 55.300 -0.446 0.000 1.114 338 M CB -0.590 31.691 32.600 -0.532 0.000 1.361 338 M HN 0.434 nan 8.290 nan 0.000 0.408 339 M N -2.011 117.296 119.600 -0.487 0.000 2.117 339 M HA -0.225 4.255 4.480 -0.000 0.000 0.262 339 M C 1.958 177.772 176.300 -0.810 0.000 1.065 339 M CA 1.877 56.678 55.300 -0.832 0.000 1.114 339 M CB -0.707 31.057 32.600 -1.393 0.000 1.361 339 M HN 0.389 nan 8.290 nan 0.000 0.408 340 W N 0.226 121.288 121.300 -0.397 0.000 2.363 340 W HA -0.128 4.532 4.660 -0.000 0.000 0.296 340 W C 2.701 179.376 176.519 0.260 0.000 1.212 340 W CA 1.268 58.672 57.345 0.100 0.000 1.260 340 W CB -0.325 29.180 29.460 0.075 0.000 1.131 340 W HN 0.217 nan 8.180 nan 0.000 0.530 341 A N -0.277 122.692 122.820 0.248 0.000 1.929 341 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 341 A C 1.892 179.591 177.584 0.192 0.000 1.176 341 A CA 1.127 53.246 52.037 0.138 0.000 0.628 341 A CB -0.848 18.107 19.000 -0.076 0.000 0.816 341 A HN 0.273 nan 8.150 nan 0.000 0.444 342 L N -0.746 120.547 121.223 0.117 0.000 2.056 342 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 342 L C 2.835 179.905 176.870 0.333 0.000 1.078 342 L CA 1.022 55.958 54.840 0.160 0.000 0.749 342 L CB -0.850 41.236 42.059 0.044 0.000 0.901 342 L HN 0.459 nan 8.230 nan 0.000 0.433 343 G N -0.097 108.976 108.800 0.454 0.000 2.440 343 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.218 343 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.218 343 G C 1.508 176.749 174.900 0.569 0.000 1.154 343 G CA 0.709 46.234 45.100 0.708 0.000 0.767 343 G HN 0.295 nan 8.290 nan 0.000 0.552 344 F N 1.437 121.674 119.950 0.478 0.000 2.065 344 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 344 F C 2.492 178.454 175.800 0.270 0.000 1.112 344 F CA 1.672 59.862 58.000 0.317 0.000 1.212 344 F CB -0.233 38.915 39.000 0.247 0.000 0.975 344 F HN 0.117 nan 8.300 nan 0.000 0.476 345 I N -0.926 119.946 120.570 0.503 0.000 2.208 345 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 345 I C 2.309 178.635 176.117 0.349 0.000 1.097 345 I CA 1.370 62.927 61.300 0.429 0.000 1.363 345 I CB -0.578 37.657 38.000 0.393 0.000 1.051 345 I HN 0.223 nan 8.210 nan 0.000 0.413 346 F N 1.483 121.558 119.950 0.207 0.000 2.113 346 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 346 F C 2.198 178.075 175.800 0.128 0.000 1.103 346 F CA 1.537 59.644 58.000 0.178 0.000 1.248 346 F CB -0.432 38.711 39.000 0.237 0.000 0.999 346 F HN -0.131 nan 8.300 nan 0.000 0.475 347 L N -1.202 119.999 121.223 -0.037 0.000 2.083 347 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 347 L C 2.467 179.243 176.870 -0.157 0.000 1.083 347 L CA 1.521 56.281 54.840 -0.133 0.000 0.752 347 L CB -0.925 41.012 42.059 -0.204 0.000 0.899 347 L HN 0.201 nan 8.230 nan 0.000 0.433 348 F N 0.688 120.425 119.950 -0.355 0.000 2.206 348 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 348 F C 2.449 178.153 175.800 -0.159 0.000 1.090 348 F CA 1.659 59.457 58.000 -0.336 0.000 1.323 348 F CB -0.153 38.497 39.000 -0.583 0.000 1.028 348 F HN -0.086 nan 8.300 nan 0.000 0.492 349 T N 0.193 114.688 114.554 -0.099 0.000 2.708 349 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 349 T C 2.143 176.667 174.700 -0.293 0.000 1.037 349 T CA 1.643 63.651 62.100 -0.152 0.000 1.146 349 T CB -0.667 68.200 68.868 -0.002 0.000 0.865 349 T HN 0.111 nan 8.240 nan 0.000 0.435 350 V N 1.415 121.084 119.914 -0.409 0.000 2.252 350 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 350 V C 2.855 178.712 176.094 -0.395 0.000 1.056 350 V CA 2.207 64.213 62.300 -0.489 0.000 1.022 350 V CB -1.342 30.024 31.823 -0.763 0.000 0.641 350 V HN 0.622 nan 8.190 nan 0.000 0.445 351 G N -0.547 108.047 108.800 -0.343 0.000 2.408 351 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 351 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 351 G C 1.591 176.381 174.900 -0.183 0.000 1.150 351 G CA 0.839 45.801 45.100 -0.230 0.000 0.776 351 G HN 0.612 nan 8.290 nan 0.000 0.542 352 G N 0.630 109.191 108.800 -0.398 0.000 2.422 352 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.218 352 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.218 352 G C 1.746 176.573 174.900 -0.122 0.000 1.140 352 G CA 0.468 45.398 45.100 -0.283 0.000 0.775 352 G HN 0.423 nan 8.290 nan 0.000 0.545 353 L N 1.064 122.200 121.223 -0.146 0.000 2.131 353 L HA -0.023 4.317 4.340 -0.000 0.000 0.206 353 L C 3.317 180.152 176.870 -0.057 0.000 1.087 353 L CA 1.550 56.336 54.840 -0.091 0.000 0.767 353 L CB -0.565 41.434 42.059 -0.100 0.000 0.917 353 L HN 0.387 nan 8.230 nan 0.000 0.441 354 T N -3.324 111.191 114.554 -0.065 0.000 2.867 354 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 354 T C 1.974 176.653 174.700 -0.035 0.000 1.057 354 T CA 0.915 63.017 62.100 0.002 0.000 1.136 354 T CB -0.843 67.928 68.868 -0.161 0.000 0.874 354 T HN 0.364 nan 8.240 nan 0.000 0.466 355 G N 2.191 110.920 108.800 -0.119 0.000 2.476 355 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 355 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 355 G C 1.492 176.273 174.900 -0.198 0.000 1.164 355 G CA 0.919 45.761 45.100 -0.430 0.000 0.768 355 G HN 0.468 nan 8.290 nan 0.000 0.560 356 I N 0.990 121.510 120.570 -0.083 0.000 2.286 356 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 356 I C 2.999 179.088 176.117 -0.046 0.000 1.115 356 I CA 0.648 61.919 61.300 -0.049 0.000 1.392 356 I CB -1.103 36.885 38.000 -0.020 0.000 1.065 356 I HN 0.047 nan 8.210 nan 0.000 0.418 357 V N 1.114 121.016 119.914 -0.020 0.000 2.332 357 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 357 V C 2.550 178.604 176.094 -0.067 0.000 1.055 357 V CA 1.592 63.878 62.300 -0.024 0.000 1.038 357 V CB -0.670 31.179 31.823 0.043 0.000 0.651 357 V HN 0.335 nan 8.190 nan 0.000 0.450 358 L N 0.050 121.231 121.223 -0.070 0.000 2.275 358 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 358 L C 2.597 179.426 176.870 -0.067 0.000 1.119 358 L CA 1.071 55.853 54.840 -0.097 0.000 0.790 358 L CB -0.668 41.288 42.059 -0.172 0.000 0.919 358 L HN 0.346 nan 8.230 nan 0.000 0.443 359 A N -0.499 122.276 122.820 -0.075 0.000 2.015 359 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 359 A C 0.994 178.594 177.584 0.027 0.000 1.163 359 A CA 0.715 52.752 52.037 0.001 0.000 0.646 359 A CB -0.461 18.530 19.000 -0.015 0.000 0.806 359 A HN 0.390 nan 8.150 nan 0.000 0.448 360 N N 1.486 120.148 118.700 -0.062 0.000 2.400 360 N HA 0.048 4.788 4.740 -0.000 0.000 0.267 360 N C 1.253 176.611 175.510 -0.253 0.000 1.208 360 N CA 0.749 53.716 53.050 -0.138 0.000 0.951 360 N CB 0.962 39.382 38.487 -0.112 0.000 1.227 360 N HN 0.554 nan 8.380 nan 0.000 0.488 361 S N 1.203 116.585 115.700 -0.530 0.000 2.400 361 S HA -0.173 4.297 4.470 -0.000 0.000 0.232 361 S C 1.819 176.145 174.600 -0.457 0.000 1.025 361 S CA 1.053 58.670 58.200 -0.972 0.000 0.993 361 S CB -0.103 62.139 63.200 -1.598 0.000 0.808 361 S HN 0.409 nan 8.310 nan 0.000 0.478 362 S N 2.180 117.697 115.700 -0.305 0.000 2.368 362 S HA 0.094 4.564 4.470 -0.000 0.000 0.225 362 S C 1.788 176.303 174.600 -0.141 0.000 1.030 362 S CA 1.398 59.486 58.200 -0.185 0.000 0.999 362 S CB -0.538 62.579 63.200 -0.138 0.000 0.844 362 S HN 0.464 nan 8.310 nan 0.000 0.459 363 L N 0.910 122.047 121.223 -0.143 0.000 2.240 363 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 363 L C 2.232 179.036 176.870 -0.111 0.000 1.106 363 L CA 1.037 55.800 54.840 -0.127 0.000 0.793 363 L CB -0.431 41.540 42.059 -0.146 0.000 0.927 363 L HN 0.263 nan 8.230 nan 0.000 0.446 364 D N 0.254 120.597 120.400 -0.094 0.000 2.219 364 D HA -0.185 4.455 4.640 -0.000 0.000 0.205 364 D C 2.141 178.467 176.300 0.043 0.000 0.970 364 D CA 0.748 54.749 54.000 0.002 0.000 0.851 364 D CB 0.246 41.123 40.800 0.129 0.000 0.943 364 D HN 0.045 nan 8.370 nan 0.000 0.488 365 I N 0.391 120.952 120.570 -0.015 0.000 2.194 365 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 365 I C 2.230 178.370 176.117 0.039 0.000 1.093 365 I CA 0.873 62.182 61.300 0.015 0.000 1.355 365 I CB -1.119 36.867 38.000 -0.024 0.000 1.046 365 I HN 0.076 nan 8.210 nan 0.000 0.413 366 V N 0.161 120.073 119.914 -0.004 0.000 2.951 366 V HA -0.048 4.072 4.120 -0.000 0.000 0.255 366 V C 2.176 178.266 176.094 -0.005 0.000 1.088 366 V CA 0.742 63.041 62.300 -0.003 0.000 1.109 366 V CB -0.182 31.621 31.823 -0.034 0.000 0.724 366 V HN 0.310 nan 8.190 nan 0.000 0.471 367 L N -1.134 120.078 121.223 -0.018 0.000 2.554 367 L HA 0.223 4.563 4.340 -0.000 0.000 0.225 367 L C 1.160 178.059 176.870 0.047 0.000 1.104 367 L CA -0.063 54.757 54.840 -0.033 0.000 0.866 367 L CB -0.268 41.695 42.059 -0.160 0.000 1.047 367 L HN 0.379 nan 8.230 nan 0.000 0.468 368 H N 0.902 119.977 119.070 0.007 0.000 2.815 368 H HA -0.056 4.500 4.556 -0.000 0.000 0.350 368 H C 0.407 175.754 175.328 0.031 0.000 1.080 368 H CA 0.481 56.548 56.048 0.031 0.000 1.433 368 H CB 0.317 30.109 29.762 0.050 0.000 1.432 368 H HN 0.089 nan 8.280 nan 0.000 0.592 369 D N 2.099 122.055 120.400 -0.740 0.000 2.837 369 D HA -0.198 4.442 4.640 -0.000 0.000 0.230 369 D C -0.455 175.707 176.300 -0.229 0.000 1.152 369 D CA 1.481 55.194 54.000 -0.479 0.000 0.736 369 D CB -0.918 39.637 40.800 -0.408 0.000 1.084 369 D HN 0.771 nan 8.370 nan 0.000 0.429 370 T N -4.410 110.047 114.554 -0.163 0.000 2.888 370 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 370 T C 0.975 175.603 174.700 -0.121 0.000 1.063 370 T CA -0.757 61.281 62.100 -0.103 0.000 1.010 370 T CB 0.993 69.854 68.868 -0.012 0.000 1.214 370 T HN -0.087 nan 8.240 nan 0.000 0.533 371 Y N -0.473 119.770 120.300 -0.096 0.000 2.569 371 Y HA 0.005 4.555 4.550 -0.000 0.000 0.293 371 Y C 2.011 177.843 175.900 -0.113 0.000 1.144 371 Y CA 1.003 59.036 58.100 -0.112 0.000 1.321 371 Y CB -0.488 37.884 38.460 -0.148 0.000 0.982 371 Y HN 0.829 nan 8.280 nan 0.000 0.558 372 Y N -0.901 119.358 120.300 -0.069 0.000 2.224 372 Y HA -0.249 4.301 4.550 -0.000 0.000 0.289 372 Y C 2.170 178.003 175.900 -0.111 0.000 1.146 372 Y CA 1.521 59.561 58.100 -0.100 0.000 1.182 372 Y CB -0.227 38.203 38.460 -0.051 0.000 0.983 372 Y HN -0.099 nan 8.280 nan 0.000 0.524 373 V N -1.312 118.645 119.914 0.072 0.000 2.427 373 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 373 V C 2.204 178.217 176.094 -0.134 0.000 1.051 373 V CA 1.588 63.944 62.300 0.093 0.000 1.048 373 V CB -0.735 31.180 31.823 0.153 0.000 0.666 373 V HN 0.290 nan 8.190 nan 0.000 0.456 374 V N 0.480 120.161 119.914 -0.387 0.000 2.407 374 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 374 V C 2.668 178.344 176.094 -0.696 0.000 1.055 374 V CA 1.917 63.734 62.300 -0.804 0.000 1.049 374 V CB -1.111 30.349 31.823 -0.605 0.000 0.662 374 V HN 0.546 nan 8.190 nan 0.000 0.455 375 A N -0.109 122.431 122.820 -0.466 0.000 1.854 375 A HA -0.252 4.068 4.320 -0.000 0.000 0.214 375 A C 2.118 179.461 177.584 -0.401 0.000 1.192 375 A CA 2.013 53.734 52.037 -0.527 0.000 0.611 375 A CB -0.898 17.459 19.000 -1.071 0.000 0.832 375 A HN 0.711 nan 8.150 nan 0.000 0.442 376 H N 0.477 119.276 119.070 -0.451 0.000 2.267 376 H HA -0.283 4.273 4.556 -0.000 0.000 0.291 376 H C 1.628 176.861 175.328 -0.159 0.000 1.094 376 H CA 2.878 58.778 56.048 -0.246 0.000 1.227 376 H CB -0.814 28.870 29.762 -0.129 0.000 1.351 376 H HN 0.618 nan 8.280 nan 0.000 0.483 377 F N -1.880 117.833 119.950 -0.395 0.000 2.512 377 F HA 0.132 4.659 4.527 -0.000 0.000 0.296 377 F C 2.023 177.486 175.800 -0.561 0.000 1.110 377 F CA 0.642 58.292 58.000 -0.585 0.000 1.446 377 F CB -0.723 38.027 39.000 -0.417 0.000 1.092 377 F HN 0.152 nan 8.300 nan 0.000 0.554 378 H N -1.217 117.380 119.070 -0.788 0.000 2.457 378 H HA -0.027 4.529 4.556 -0.000 0.000 0.294 378 H C 1.392 176.234 175.328 -0.811 0.000 1.064 378 H CA 2.060 57.540 56.048 -0.947 0.000 1.330 378 H CB -0.380 28.241 29.762 -1.901 0.000 1.395 378 H HN 0.315 nan 8.280 nan 0.000 0.541 379 Y N -0.265 119.737 120.300 -0.497 0.000 2.130 379 Y HA -0.196 4.354 4.550 -0.000 0.000 0.287 379 Y C 2.589 178.284 175.900 -0.341 0.000 1.124 379 Y CA 1.480 59.357 58.100 -0.371 0.000 1.118 379 Y CB -0.390 37.884 38.460 -0.310 0.000 0.994 379 Y HN 0.116 nan 8.280 nan 0.000 0.497 380 V N -2.229 117.546 119.914 -0.231 0.000 2.591 380 V HA -0.093 4.027 4.120 -0.000 0.000 0.249 380 V C 1.760 177.802 176.094 -0.087 0.000 1.053 380 V CA 1.403 63.558 62.300 -0.242 0.000 1.068 380 V CB -0.754 30.824 31.823 -0.408 0.000 0.689 380 V HN 0.340 nan 8.190 nan 0.000 0.462 381 L N 0.681 121.794 121.223 -0.183 0.000 2.416 381 L HA 0.275 4.615 4.340 -0.000 0.000 0.188 381 L C 2.506 179.296 176.870 -0.134 0.000 1.145 381 L CA 2.115 56.866 54.840 -0.148 0.000 0.826 381 L CB -0.592 41.331 42.059 -0.226 0.000 1.064 381 L HN 0.221 nan 8.230 nan 0.000 0.490 382 S N 0.367 115.935 115.700 -0.220 0.000 2.414 382 S HA -0.289 4.181 4.470 -0.000 0.000 0.225 382 S C 1.956 176.531 174.600 -0.041 0.000 1.041 382 S CA 2.431 60.522 58.200 -0.182 0.000 1.114 382 S CB -0.677 62.335 63.200 -0.314 0.000 1.064 382 S HN 0.444 nan 8.310 nan 0.000 0.420 383 M N 1.124 120.666 119.600 -0.097 0.000 2.108 383 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 383 M C 2.524 178.914 176.300 0.151 0.000 1.066 383 M CA 1.522 56.843 55.300 0.035 0.000 1.107 383 M CB -1.102 31.305 32.600 -0.322 0.000 1.356 383 M HN 0.531 nan 8.290 nan 0.000 0.406 384 G N 0.138 108.955 108.800 0.028 0.000 2.514 384 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 384 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 384 G C 1.596 176.780 174.900 0.473 0.000 1.198 384 G CA 1.287 46.470 45.100 0.139 0.000 0.780 384 G HN 0.557 nan 8.290 nan 0.000 0.565 385 A N -0.245 122.742 122.820 0.278 0.000 1.877 385 A HA 0.069 4.389 4.320 -0.000 0.000 0.216 385 A C 2.644 180.374 177.584 0.242 0.000 1.186 385 A CA 2.007 54.175 52.037 0.217 0.000 0.620 385 A CB -0.724 18.317 19.000 0.067 0.000 0.822 385 A HN 0.305 nan 8.150 nan 0.000 0.443 386 V N -1.323 118.752 119.914 0.268 0.000 2.295 386 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 386 V C 2.320 178.587 176.094 0.288 0.000 1.049 386 V CA 2.087 64.539 62.300 0.254 0.000 1.024 386 V CB -0.898 31.101 31.823 0.294 0.000 0.648 386 V HN 0.603 nan 8.190 nan 0.000 0.447 387 F N 0.355 120.482 119.950 0.295 0.000 2.113 387 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 387 F C 2.473 178.459 175.800 0.309 0.000 1.103 387 F CA 1.315 59.597 58.000 0.469 0.000 1.248 387 F CB -0.571 38.854 39.000 0.708 0.000 0.999 387 F HN 0.105 nan 8.300 nan 0.000 0.475 388 A N 0.479 123.575 122.820 0.461 0.000 1.883 388 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 388 A C 2.153 179.738 177.584 0.001 0.000 1.186 388 A CA 1.722 53.818 52.037 0.099 0.000 0.624 388 A CB -1.124 17.843 19.000 -0.056 0.000 0.822 388 A HN 0.404 nan 8.150 nan 0.000 0.444 389 I N -0.880 119.726 120.570 0.059 0.000 2.208 389 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 389 I C 2.589 178.729 176.117 0.039 0.000 1.097 389 I CA 1.248 62.611 61.300 0.105 0.000 1.363 389 I CB -0.250 37.858 38.000 0.180 0.000 1.051 389 I HN 0.264 nan 8.210 nan 0.000 0.413 390 M N 0.190 119.643 119.600 -0.246 0.000 2.175 390 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 390 M C 2.385 178.347 176.300 -0.563 0.000 1.063 390 M CA 1.641 56.550 55.300 -0.651 0.000 1.119 390 M CB -1.953 29.571 32.600 -1.794 0.000 1.377 390 M HN 0.298 nan 8.290 nan 0.000 0.415 391 G N -0.007 108.587 108.800 -0.345 0.000 2.480 391 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 391 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 391 G C 1.594 176.490 174.900 -0.006 0.000 1.200 391 G CA 1.142 46.221 45.100 -0.036 0.000 0.782 391 G HN 0.532 nan 8.290 nan 0.000 0.554 392 G N 0.221 109.003 108.800 -0.030 0.000 2.440 392 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 392 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 392 G C 1.668 176.819 174.900 0.418 0.000 1.154 392 G CA 1.068 46.188 45.100 0.034 0.000 0.767 392 G HN 0.378 nan 8.290 nan 0.000 0.552 393 F N 1.816 121.974 119.950 0.347 0.000 2.128 393 F HA -0.081 4.446 4.527 -0.000 0.000 0.295 393 F C 2.763 178.717 175.800 0.257 0.000 1.100 393 F CA 1.764 60.052 58.000 0.480 0.000 1.260 393 F CB -0.363 38.818 39.000 0.301 0.000 1.009 393 F HN 0.065 nan 8.300 nan 0.000 0.476 394 V N -1.425 118.614 119.914 0.209 0.000 2.427 394 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 394 V C 2.428 178.551 176.094 0.050 0.000 1.051 394 V CA 2.386 64.737 62.300 0.086 0.000 1.048 394 V CB -1.577 30.361 31.823 0.193 0.000 0.666 394 V HN 0.496 nan 8.190 nan 0.000 0.456 395 H N -0.839 118.179 119.070 -0.086 0.000 2.353 395 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 395 H C 1.745 176.928 175.328 -0.243 0.000 1.090 395 H CA 2.325 58.233 56.048 -0.234 0.000 1.327 395 H CB -0.134 29.299 29.762 -0.549 0.000 1.383 395 H HN 0.571 nan 8.280 nan 0.000 0.508 396 W N -0.678 120.435 121.300 -0.312 0.000 3.127 396 W HA 0.085 4.745 4.660 -0.000 0.000 0.344 396 W C 1.255 177.078 176.519 -1.161 0.000 1.151 396 W CA -0.518 56.314 57.345 -0.854 0.000 1.765 396 W CB -0.664 28.122 29.460 -1.125 0.000 1.085 396 W HN 0.188 nan 8.180 nan 0.000 0.596 397 F N 2.970 122.513 119.950 -0.679 0.000 2.091 397 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 397 F C -0.713 174.811 175.800 -0.461 0.000 1.103 397 F CA 2.012 59.600 58.000 -0.686 0.000 1.228 397 F CB -1.290 37.301 39.000 -0.683 0.000 0.984 397 F HN -0.249 nan 8.300 nan 0.000 0.477 398 P HA -0.144 nan 4.420 nan 0.000 0.221 398 P C 1.741 178.880 177.300 -0.268 0.000 1.150 398 P CA 1.007 64.007 63.100 -0.166 0.000 0.800 398 P CB -0.091 31.665 31.700 0.092 0.000 0.787 399 L N -1.347 119.593 121.223 -0.472 0.000 2.027 399 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 399 L C 1.955 178.492 176.870 -0.555 0.000 1.074 399 L CA 2.053 56.488 54.840 -0.674 0.000 0.745 399 L CB -1.418 39.828 42.059 -1.355 0.000 0.898 399 L HN -0.163 nan 8.230 nan 0.000 0.433 400 F N -0.328 119.097 119.950 -0.875 0.000 2.206 400 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 400 F C 2.795 178.252 175.800 -0.571 0.000 1.090 400 F CA 1.026 58.374 58.000 -1.087 0.000 1.323 400 F CB -1.608 36.703 39.000 -1.150 0.000 1.028 400 F HN 0.395 nan 8.300 nan 0.000 0.492 401 S N -1.544 113.840 115.700 -0.528 0.000 2.497 401 S HA 0.400 4.870 4.470 -0.000 0.000 0.221 401 S C 1.833 176.130 174.600 -0.506 0.000 1.037 401 S CA 0.504 58.419 58.200 -0.476 0.000 0.920 401 S CB 0.258 62.888 63.200 -0.949 0.000 0.800 401 S HN 0.520 nan 8.310 nan 0.000 0.505 402 G N 0.113 108.638 108.800 -0.458 0.000 2.157 402 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 402 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 402 G C -0.239 174.401 174.900 -0.434 0.000 0.979 402 G CA 0.469 45.328 45.100 -0.401 0.000 0.650 402 G HN 0.538 nan 8.290 nan 0.000 0.529 403 Y N 0.521 120.712 120.300 -0.182 0.000 2.549 403 Y HA 0.710 5.260 4.550 -0.000 0.000 0.339 403 Y C 0.887 176.795 175.900 0.013 0.000 1.053 403 Y CA -0.666 57.381 58.100 -0.088 0.000 1.105 403 Y CB 1.601 39.992 38.460 -0.115 0.000 1.258 403 Y HN 0.319 nan 8.280 nan 0.000 0.478 404 T N -0.221 114.474 114.554 0.236 0.000 2.929 404 T HA 0.737 5.087 4.350 -0.000 0.000 0.284 404 T C -0.338 174.424 174.700 0.103 0.000 1.014 404 T CA -0.854 61.347 62.100 0.168 0.000 1.051 404 T CB 0.687 69.611 68.868 0.094 0.000 1.028 404 T HN 0.485 nan 8.240 nan 0.000 0.485 405 L N 2.014 123.261 121.223 0.040 0.000 2.468 405 L HA 0.405 4.745 4.340 -0.000 0.000 0.254 405 L C 1.045 177.919 176.870 0.007 0.000 1.171 405 L CA -1.124 53.665 54.840 -0.086 0.000 0.809 405 L CB 0.389 42.363 42.059 -0.141 0.000 1.155 405 L HN 0.721 nan 8.230 nan 0.000 0.473 406 N N 0.613 119.340 118.700 0.045 0.000 2.408 406 N HA -0.001 4.739 4.740 -0.000 0.000 0.257 406 N C 0.064 175.664 175.510 0.150 0.000 1.064 406 N CA -0.101 53.028 53.050 0.131 0.000 0.952 406 N CB 1.272 39.927 38.487 0.281 0.000 1.093 406 N HN 0.495 nan 8.380 nan 0.000 0.490 407 D N 2.325 122.785 120.400 0.100 0.000 2.178 407 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 407 D C 1.171 177.533 176.300 0.102 0.000 0.980 407 D CA 1.430 55.486 54.000 0.094 0.000 0.842 407 D CB 0.163 40.998 40.800 0.058 0.000 0.948 407 D HN 0.583 nan 8.370 nan 0.000 0.472 408 T N -0.670 113.923 114.554 0.064 0.000 2.708 408 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 408 T C 1.743 176.494 174.700 0.085 0.000 1.037 408 T CA 0.976 63.081 62.100 0.008 0.000 1.146 408 T CB -0.554 68.245 68.868 -0.115 0.000 0.865 408 T HN 0.335 nan 8.240 nan 0.000 0.435 409 W N 1.300 122.675 121.300 0.125 0.000 2.342 409 W HA -0.070 4.590 4.660 -0.000 0.000 0.297 409 W C 2.833 179.480 176.519 0.213 0.000 1.213 409 W CA 0.586 58.040 57.345 0.182 0.000 1.251 409 W CB -0.274 29.312 29.460 0.209 0.000 1.136 409 W HN 0.232 nan 8.180 nan 0.000 0.526 410 A N 0.238 123.308 122.820 0.417 0.000 1.930 410 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 410 A C 1.812 179.618 177.584 0.371 0.000 1.175 410 A CA 1.624 53.907 52.037 0.410 0.000 0.627 410 A CB -0.553 18.634 19.000 0.311 0.000 0.815 410 A HN 0.282 nan 8.150 nan 0.000 0.443 411 K N -0.298 120.238 120.400 0.226 0.000 2.057 411 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 411 K C 1.737 178.450 176.600 0.187 0.000 1.049 411 K CA 1.564 57.939 56.287 0.146 0.000 0.931 411 K CB -0.412 32.124 32.500 0.060 0.000 0.714 411 K HN 0.505 nan 8.250 nan 0.000 0.440 412 I N 0.719 121.417 120.570 0.212 0.000 2.127 412 I HA -0.365 3.805 4.170 -0.000 0.000 0.241 412 I C 2.728 179.003 176.117 0.263 0.000 1.075 412 I CA 1.550 62.983 61.300 0.221 0.000 1.334 412 I CB -0.499 37.665 38.000 0.273 0.000 1.040 412 I HN 0.361 nan 8.210 nan 0.000 0.405 413 H N 0.779 120.027 119.070 0.296 0.000 2.319 413 H HA -0.299 4.257 4.556 -0.000 0.000 0.297 413 H C 2.309 177.763 175.328 0.211 0.000 1.097 413 H CA 2.466 58.689 56.048 0.292 0.000 1.285 413 H CB -0.303 29.682 29.762 0.372 0.000 1.368 413 H HN 0.361 nan 8.280 nan 0.000 0.495 414 F N 1.538 121.330 119.950 -0.264 0.000 2.095 414 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 414 F C 2.668 178.229 175.800 -0.398 0.000 1.104 414 F CA 1.990 59.510 58.000 -0.799 0.000 1.232 414 F CB -0.840 37.557 39.000 -1.006 0.000 0.987 414 F HN 0.239 nan 8.300 nan 0.000 0.475 415 A N 1.054 123.724 122.820 -0.250 0.000 1.883 415 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 415 A C 2.307 179.804 177.584 -0.145 0.000 1.186 415 A CA 2.146 54.061 52.037 -0.204 0.000 0.624 415 A CB -1.344 17.658 19.000 0.002 0.000 0.822 415 A HN 0.540 nan 8.150 nan 0.000 0.444 416 I N -1.519 119.011 120.570 -0.067 0.000 2.208 416 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 416 I C 2.656 178.752 176.117 -0.034 0.000 1.097 416 I CA 1.977 63.274 61.300 -0.005 0.000 1.363 416 I CB -0.310 37.729 38.000 0.066 0.000 1.051 416 I HN 0.383 nan 8.210 nan 0.000 0.413 417 M N 0.459 119.984 119.600 -0.124 0.000 2.132 417 M HA -0.212 4.268 4.480 -0.000 0.000 0.263 417 M C 2.071 178.390 176.300 0.032 0.000 1.065 417 M CA 1.837 57.110 55.300 -0.044 0.000 1.122 417 M CB -0.575 31.959 32.600 -0.109 0.000 1.365 417 M HN 0.181 nan 8.290 nan 0.000 0.411 418 F N -0.455 119.321 119.950 -0.289 0.000 2.134 418 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 418 F C 1.887 177.666 175.800 -0.036 0.000 1.097 418 F CA 1.605 59.521 58.000 -0.140 0.000 1.264 418 F CB -0.524 38.142 39.000 -0.556 0.000 1.001 418 F HN -0.036 nan 8.300 nan 0.000 0.479 419 V N 0.227 120.148 119.914 0.012 0.000 2.295 419 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 419 V C 2.736 178.799 176.094 -0.051 0.000 1.049 419 V CA 1.952 64.242 62.300 -0.018 0.000 1.024 419 V CB -1.655 30.192 31.823 0.040 0.000 0.648 419 V HN 0.525 nan 8.190 nan 0.000 0.447 420 G N 0.571 109.361 108.800 -0.016 0.000 2.433 420 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 420 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 420 G C 1.756 176.626 174.900 -0.050 0.000 1.186 420 G CA 1.619 46.713 45.100 -0.009 0.000 0.779 420 G HN 0.570 nan 8.290 nan 0.000 0.543 421 V N -0.692 119.216 119.914 -0.010 0.000 2.427 421 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 421 V C 2.243 178.288 176.094 -0.083 0.000 1.051 421 V CA 2.059 64.370 62.300 0.019 0.000 1.048 421 V CB -0.633 31.281 31.823 0.152 0.000 0.666 421 V HN 0.241 nan 8.190 nan 0.000 0.456 422 N N 0.278 118.873 118.700 -0.174 0.000 2.171 422 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 422 N C 1.861 177.375 175.510 0.007 0.000 1.021 422 N CA 2.062 55.058 53.050 -0.091 0.000 0.854 422 N CB -0.275 38.083 38.487 -0.215 0.000 0.994 422 N HN 0.595 nan 8.380 nan 0.000 0.426 423 M N 0.845 120.418 119.600 -0.045 0.000 2.279 423 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 423 M C 1.451 177.695 176.300 -0.092 0.000 1.062 423 M CA 1.202 56.492 55.300 -0.017 0.000 1.099 423 M CB -0.005 32.585 32.600 -0.016 0.000 1.394 423 M HN -0.002 nan 8.290 nan 0.000 0.426 424 T N -0.139 114.268 114.554 -0.245 0.000 2.770 424 T HA -0.022 4.328 4.350 -0.000 0.000 0.258 424 T C 1.125 175.469 174.700 -0.593 0.000 1.039 424 T CA 1.431 63.209 62.100 -0.537 0.000 1.143 424 T CB -0.253 68.019 68.868 -0.992 0.000 0.866 424 T HN 0.416 nan 8.240 nan 0.000 0.428 425 F N -0.607 119.259 119.950 -0.140 0.000 2.622 425 F HA 0.339 4.866 4.527 -0.000 0.000 0.288 425 F C 1.756 177.506 175.800 -0.082 0.000 1.120 425 F CA -0.517 57.370 58.000 -0.188 0.000 1.423 425 F CB -0.232 38.558 39.000 -0.350 0.000 1.127 425 F HN 0.013 nan 8.300 nan 0.000 0.588 426 F N 2.645 122.682 119.950 0.145 0.000 2.091 426 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 426 F C -0.806 174.842 175.800 -0.254 0.000 1.103 426 F CA 1.416 59.477 58.000 0.102 0.000 1.228 426 F CB -1.647 37.371 39.000 0.030 0.000 0.984 426 F HN -0.138 nan 8.300 nan 0.000 0.477 427 P HA -0.169 nan 4.420 nan 0.000 0.223 427 P C 1.031 178.036 177.300 -0.492 0.000 1.144 427 P CA 1.507 64.345 63.100 -0.437 0.000 0.783 427 P CB -0.189 31.527 31.700 0.027 0.000 0.771 428 Q N -1.900 117.653 119.800 -0.412 0.000 2.297 428 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 428 Q C 1.691 177.458 176.000 -0.389 0.000 0.962 428 Q CA 0.911 56.529 55.803 -0.310 0.000 0.879 428 Q CB -0.611 28.059 28.738 -0.112 0.000 0.947 428 Q HN 0.509 nan 8.270 nan 0.000 0.462 429 H N -0.453 118.241 119.070 -0.627 0.000 2.352 429 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 429 H C 1.417 176.583 175.328 -0.270 0.000 1.097 429 H CA 1.696 57.383 56.048 -0.601 0.000 1.311 429 H CB -0.078 29.084 29.762 -1.001 0.000 1.377 429 H HN 0.199 nan 8.280 nan 0.000 0.504 430 F N 0.280 120.095 119.950 -0.226 0.000 2.146 430 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 430 F C 2.272 178.062 175.800 -0.016 0.000 1.096 430 F CA 0.802 58.663 58.000 -0.231 0.000 1.275 430 F CB -1.009 37.526 39.000 -0.775 0.000 1.008 430 F HN 0.075 nan 8.300 nan 0.000 0.480 431 L N -0.336 120.975 121.223 0.146 0.000 2.042 431 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 431 L C 2.735 179.674 176.870 0.115 0.000 1.076 431 L CA 1.559 56.486 54.840 0.145 0.000 0.749 431 L CB -1.393 40.620 42.059 -0.077 0.000 0.893 431 L HN 0.285 nan 8.230 nan 0.000 0.432 432 G N -0.233 108.652 108.800 0.141 0.000 2.394 432 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 432 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 432 G C 1.630 176.624 174.900 0.157 0.000 1.165 432 G CA 0.301 45.505 45.100 0.174 0.000 0.784 432 G HN 0.200 nan 8.290 nan 0.000 0.535 433 L N 1.650 122.992 121.223 0.198 0.000 2.046 433 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 433 L C 3.044 179.989 176.870 0.125 0.000 1.077 433 L CA 1.543 56.447 54.840 0.106 0.000 0.747 433 L CB -0.347 41.794 42.059 0.136 0.000 0.896 433 L HN 0.389 nan 8.230 nan 0.000 0.432 434 S N -0.813 115.012 115.700 0.208 0.000 2.607 434 S HA 0.162 4.632 4.470 -0.000 0.000 0.224 434 S C 1.414 176.199 174.600 0.308 0.000 0.969 434 S CA 0.367 58.721 58.200 0.257 0.000 0.927 434 S CB 0.266 63.669 63.200 0.340 0.000 0.772 434 S HN 0.579 nan 8.310 nan 0.000 0.533 435 G N 0.960 109.875 108.800 0.192 0.000 2.163 435 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.213 435 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.213 435 G C -0.105 174.780 174.900 -0.025 0.000 0.991 435 G CA -0.037 45.139 45.100 0.126 0.000 0.653 435 G HN 0.592 nan 8.290 nan 0.000 0.518 436 M N 1.785 121.219 119.600 -0.276 0.000 2.227 436 M HA 0.402 4.882 4.480 -0.000 0.000 0.349 436 M C -2.117 174.010 176.300 -0.288 0.000 1.443 436 M CA -1.286 53.642 55.300 -0.620 0.000 1.110 436 M CB 0.623 32.685 32.600 -0.896 0.000 1.773 436 M HN -0.020 nan 8.290 nan 0.000 0.463 437 P HA 0.154 nan 4.420 nan 0.000 0.272 437 P C -1.124 175.993 177.300 -0.305 0.000 1.230 437 P CA -0.023 62.767 63.100 -0.518 0.000 0.788 437 P CB 0.584 31.606 31.700 -1.130 0.000 0.949 438 R N 1.104 121.456 120.500 -0.247 0.000 2.580 438 R HA 0.457 4.797 4.340 -0.000 0.000 0.267 438 R C 0.394 176.719 176.300 0.042 0.000 1.125 438 R CA -0.624 55.337 56.100 -0.231 0.000 1.188 438 R CB 0.108 30.245 30.300 -0.271 0.000 1.155 438 R HN 0.342 nan 8.270 nan 0.000 0.586 439 R N -1.127 119.483 120.500 0.183 0.000 3.770 439 R HA -0.227 4.113 4.340 -0.000 0.000 0.305 439 R C -1.101 175.535 176.300 0.560 0.000 1.184 439 R CA 0.816 57.126 56.100 0.349 0.000 0.823 439 R CB -1.999 28.441 30.300 0.232 0.000 1.285 439 R HN 0.549 nan 8.270 nan 0.000 0.499 440 Y N -0.724 119.720 120.300 0.240 0.000 2.360 440 Y HA 0.161 4.711 4.550 -0.000 0.000 0.337 440 Y C 1.614 177.406 175.900 -0.181 0.000 1.039 440 Y CA -0.217 57.937 58.100 0.091 0.000 1.109 440 Y CB 1.676 40.202 38.460 0.110 0.000 1.201 440 Y HN 0.140 nan 8.280 nan 0.000 0.458 441 S N 0.033 115.514 115.700 -0.364 0.000 2.528 441 S HA 0.075 4.545 4.470 -0.000 0.000 0.219 441 S C -0.150 174.210 174.600 -0.399 0.000 0.985 441 S CA 0.352 58.077 58.200 -0.791 0.000 0.914 441 S CB 0.204 63.046 63.200 -0.596 0.000 0.776 441 S HN 0.735 nan 8.310 nan 0.000 0.526 442 D N -0.684 119.586 120.400 -0.217 0.000 2.710 442 D HA 0.459 5.099 4.640 -0.000 0.000 0.276 442 D C -1.913 174.334 176.300 -0.089 0.000 1.267 442 D CA -0.717 53.094 54.000 -0.314 0.000 0.772 442 D CB 1.260 41.870 40.800 -0.316 0.000 1.299 442 D HN 0.211 nan 8.370 nan 0.000 0.421 443 Y N -1.994 118.367 120.300 0.101 0.000 2.562 443 Y HA 0.741 5.291 4.550 -0.000 0.000 0.345 443 Y C -2.698 173.335 175.900 0.222 0.000 1.045 443 Y CA -2.379 55.845 58.100 0.206 0.000 1.028 443 Y CB 0.045 38.599 38.460 0.158 0.000 1.297 443 Y HN 0.041 nan 8.280 nan 0.000 0.463 444 P HA 0.055 nan 4.420 nan 0.000 0.266 444 P C 0.049 177.547 177.300 0.329 0.000 1.193 444 P CA 0.244 63.538 63.100 0.324 0.000 0.770 444 P CB 0.885 32.782 31.700 0.328 0.000 0.836 445 D N 1.674 122.160 120.400 0.144 0.000 2.178 445 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 445 D C 1.887 178.204 176.300 0.028 0.000 0.980 445 D CA 1.587 55.655 54.000 0.112 0.000 0.842 445 D CB -0.611 40.204 40.800 0.026 0.000 0.948 445 D HN 0.373 nan 8.370 nan 0.000 0.472 446 A N 0.315 123.060 122.820 -0.125 0.000 1.986 446 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 446 A C 1.482 178.887 177.584 -0.298 0.000 1.171 446 A CA 1.125 52.997 52.037 -0.275 0.000 0.640 446 A CB -1.047 17.687 19.000 -0.442 0.000 0.811 446 A HN 0.312 nan 8.150 nan 0.000 0.451 447 Y N 0.443 120.735 120.300 -0.014 0.000 2.553 447 Y HA 0.021 4.571 4.550 -0.000 0.000 0.303 447 Y C 2.427 178.099 175.900 -0.380 0.000 1.194 447 Y CA 0.718 58.715 58.100 -0.172 0.000 1.305 447 Y CB -1.095 37.229 38.460 -0.226 0.000 1.045 447 Y HN 0.218 nan 8.280 nan 0.000 0.514 448 T N 0.175 114.677 114.554 -0.087 0.000 2.674 448 T HA -0.302 4.048 4.350 -0.000 0.000 0.265 448 T C 2.072 176.646 174.700 -0.210 0.000 1.039 448 T CA 1.701 63.758 62.100 -0.072 0.000 1.150 448 T CB -0.279 68.621 68.868 0.054 0.000 0.864 448 T HN 0.439 nan 8.240 nan 0.000 0.427 449 M N -0.468 118.926 119.600 -0.343 0.000 2.073 449 M HA -0.174 4.306 4.480 -0.000 0.000 0.258 449 M C 1.942 178.017 176.300 -0.375 0.000 1.070 449 M CA 2.028 57.032 55.300 -0.493 0.000 1.103 449 M CB -0.266 31.806 32.600 -0.880 0.000 1.321 449 M HN 0.430 nan 8.290 nan 0.000 0.405 450 W N 0.153 121.415 121.300 -0.063 0.000 2.418 450 W HA -0.097 4.563 4.660 -0.000 0.000 0.292 450 W C 2.217 178.640 176.519 -0.159 0.000 1.213 450 W CA 0.016 57.329 57.345 -0.054 0.000 1.283 450 W CB -0.608 28.858 29.460 0.010 0.000 1.119 450 W HN 0.304 nan 8.180 nan 0.000 0.542 451 N N 0.174 118.816 118.700 -0.097 0.000 2.104 451 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 451 N C 1.499 176.946 175.510 -0.105 0.000 1.024 451 N CA 2.249 55.167 53.050 -0.220 0.000 0.853 451 N CB -0.741 37.427 38.487 -0.532 0.000 1.008 451 N HN 0.124 nan 8.380 nan 0.000 0.424 452 T N 2.006 116.512 114.554 -0.080 0.000 2.674 452 T HA -0.013 4.337 4.350 -0.000 0.000 0.265 452 T C 2.181 176.849 174.700 -0.054 0.000 1.039 452 T CA 0.690 62.753 62.100 -0.062 0.000 1.150 452 T CB -0.208 68.618 68.868 -0.069 0.000 0.864 452 T HN 0.171 nan 8.240 nan 0.000 0.427 453 I N 1.199 121.768 120.570 -0.002 0.000 2.208 453 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 453 I C 2.815 178.923 176.117 -0.014 0.000 1.097 453 I CA 1.210 62.532 61.300 0.038 0.000 1.363 453 I CB -0.392 37.717 38.000 0.182 0.000 1.051 453 I HN 0.257 nan 8.210 nan 0.000 0.413 454 S N -0.062 115.613 115.700 -0.041 0.000 2.368 454 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 454 S C 2.193 176.694 174.600 -0.165 0.000 1.030 454 S CA 1.991 60.109 58.200 -0.137 0.000 0.999 454 S CB -0.152 62.939 63.200 -0.183 0.000 0.844 454 S HN 0.402 nan 8.310 nan 0.000 0.459 455 S N 1.111 116.735 115.700 -0.127 0.000 2.383 455 S HA 0.069 4.539 4.470 -0.000 0.000 0.227 455 S C 1.875 176.383 174.600 -0.153 0.000 1.026 455 S CA 1.332 59.459 58.200 -0.120 0.000 0.981 455 S CB -0.333 62.803 63.200 -0.106 0.000 0.818 455 S HN 0.523 nan 8.310 nan 0.000 0.472 456 M N 0.981 120.488 119.600 -0.155 0.000 2.099 456 M HA -0.035 4.445 4.480 -0.000 0.000 0.262 456 M C 2.539 178.809 176.300 -0.050 0.000 1.067 456 M CA 1.482 56.690 55.300 -0.154 0.000 1.124 456 M CB -0.954 31.582 32.600 -0.107 0.000 1.353 456 M HN 0.450 nan 8.290 nan 0.000 0.410 457 G N 0.221 108.985 108.800 -0.061 0.000 2.475 457 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 457 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 457 G C 1.638 176.516 174.900 -0.037 0.000 1.125 457 G CA 1.490 46.555 45.100 -0.059 0.000 0.755 457 G HN 0.571 nan 8.290 nan 0.000 0.565 458 S N -0.110 115.568 115.700 -0.037 0.000 2.383 458 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 458 S C 2.144 176.862 174.600 0.197 0.000 1.026 458 S CA 0.978 59.191 58.200 0.023 0.000 0.981 458 S CB -0.622 62.583 63.200 0.008 0.000 0.818 458 S HN 0.361 nan 8.310 nan 0.000 0.472 459 F N 1.438 121.361 119.950 -0.045 0.000 2.186 459 F HA 0.081 4.608 4.527 -0.000 0.000 0.299 459 F C 2.289 178.086 175.800 -0.004 0.000 1.090 459 F CA 0.831 58.820 58.000 -0.018 0.000 1.307 459 F CB -0.255 38.737 39.000 -0.014 0.000 1.019 459 F HN 0.197 nan 8.300 nan 0.000 0.489 460 I N -0.623 120.057 120.570 0.183 0.000 2.127 460 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 460 I C 2.375 178.542 176.117 0.084 0.000 1.075 460 I CA 1.428 62.792 61.300 0.106 0.000 1.334 460 I CB -0.624 37.416 38.000 0.067 0.000 1.040 460 I HN 0.006 nan 8.210 nan 0.000 0.405 461 S N 0.905 116.650 115.700 0.076 0.000 2.383 461 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 461 S C 1.918 176.564 174.600 0.077 0.000 1.030 461 S CA 1.238 59.492 58.200 0.089 0.000 1.002 461 S CB -0.523 62.737 63.200 0.100 0.000 0.829 461 S HN 0.317 nan 8.310 nan 0.000 0.467 462 L N 2.127 123.366 121.223 0.027 0.000 2.021 462 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 462 L C 2.218 179.082 176.870 -0.010 0.000 1.074 462 L CA 2.041 56.858 54.840 -0.039 0.000 0.760 462 L CB -1.540 40.400 42.059 -0.199 0.000 0.889 462 L HN 0.218 nan 8.230 nan 0.000 0.433 463 T N -0.149 114.414 114.554 0.015 0.000 2.788 463 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 463 T C 1.901 176.660 174.700 0.097 0.000 1.044 463 T CA 1.336 63.458 62.100 0.038 0.000 1.139 463 T CB -0.548 68.354 68.868 0.056 0.000 0.867 463 T HN 0.570 nan 8.240 nan 0.000 0.454 464 A N 0.939 123.847 122.820 0.146 0.000 1.902 464 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 464 A C 2.581 180.350 177.584 0.309 0.000 1.181 464 A CA 1.358 53.562 52.037 0.279 0.000 0.623 464 A CB -1.002 18.132 19.000 0.223 0.000 0.818 464 A HN 0.358 nan 8.150 nan 0.000 0.443 465 V N 0.106 120.128 119.914 0.181 0.000 2.295 465 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 465 V C 2.660 178.778 176.094 0.040 0.000 1.049 465 V CA 2.291 64.652 62.300 0.103 0.000 1.024 465 V CB -0.747 31.109 31.823 0.055 0.000 0.648 465 V HN 0.581 nan 8.190 nan 0.000 0.447 466 M N -1.001 118.615 119.600 0.026 0.000 2.159 466 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 466 M C 2.233 178.548 176.300 0.025 0.000 1.063 466 M CA 1.747 57.047 55.300 -0.000 0.000 1.110 466 M CB -0.502 32.080 32.600 -0.030 0.000 1.374 466 M HN 0.332 nan 8.290 nan 0.000 0.411 467 L N 0.483 121.741 121.223 0.059 0.000 2.056 467 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 467 L C 2.499 179.401 176.870 0.053 0.000 1.078 467 L CA 1.614 56.506 54.840 0.086 0.000 0.749 467 L CB -0.529 41.630 42.059 0.168 0.000 0.901 467 L HN 0.265 nan 8.230 nan 0.000 0.433 468 M N -1.533 118.005 119.600 -0.104 0.000 2.089 468 M HA -0.280 4.200 4.480 -0.000 0.000 0.257 468 M C 2.079 178.312 176.300 -0.112 0.000 1.071 468 M CA 2.336 57.446 55.300 -0.318 0.000 1.096 468 M CB -0.184 32.185 32.600 -0.384 0.000 1.330 468 M HN 0.186 nan 8.290 nan 0.000 0.403 469 V N 0.399 120.298 119.914 -0.024 0.000 2.332 469 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 469 V C 2.157 178.319 176.094 0.113 0.000 1.055 469 V CA 2.317 64.642 62.300 0.041 0.000 1.038 469 V CB -1.025 30.820 31.823 0.037 0.000 0.651 469 V HN 0.666 nan 8.190 nan 0.000 0.450 470 F N 0.570 120.488 119.950 -0.053 0.000 2.146 470 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 470 F C 2.076 177.877 175.800 0.002 0.000 1.096 470 F CA 1.492 59.480 58.000 -0.020 0.000 1.275 470 F CB -0.356 38.536 39.000 -0.180 0.000 1.008 470 F HN 0.074 nan 8.300 nan 0.000 0.480 471 I N 0.518 120.912 120.570 -0.293 0.000 2.264 471 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 471 I C 2.342 178.245 176.117 -0.358 0.000 1.111 471 I CA 1.611 62.638 61.300 -0.456 0.000 1.382 471 I CB -0.501 37.403 38.000 -0.160 0.000 1.060 471 I HN 0.224 nan 8.210 nan 0.000 0.418 472 I N -0.842 119.624 120.570 -0.173 0.000 2.286 472 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 472 I C 2.418 178.571 176.117 0.060 0.000 1.104 472 I CA 1.092 62.340 61.300 -0.088 0.000 1.397 472 I CB -0.406 37.677 38.000 0.138 0.000 1.072 472 I HN 0.376 nan 8.210 nan 0.000 0.417 473 W N 2.365 123.613 121.300 -0.088 0.000 2.318 473 W HA -0.265 4.395 4.660 -0.000 0.000 0.313 473 W C 2.500 178.921 176.519 -0.162 0.000 1.221 473 W CA 1.870 59.185 57.345 -0.050 0.000 1.266 473 W CB -0.232 29.171 29.460 -0.093 0.000 1.150 473 W HN 0.069 nan 8.180 nan 0.000 0.496 474 E N 0.470 120.328 120.200 -0.570 0.000 2.118 474 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 474 E C 2.089 178.336 176.600 -0.589 0.000 0.992 474 E CA 1.734 57.640 56.400 -0.823 0.000 0.804 474 E CB -0.513 28.683 29.700 -0.840 0.000 0.741 474 E HN 0.337 nan 8.360 nan 0.000 0.458 475 A N -0.009 122.549 122.820 -0.436 0.000 1.873 475 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 475 A C 2.118 179.463 177.584 -0.399 0.000 1.186 475 A CA 1.027 52.851 52.037 -0.354 0.000 0.616 475 A CB -0.966 17.810 19.000 -0.373 0.000 0.823 475 A HN 0.300 nan 8.150 nan 0.000 0.442 476 F N 0.036 119.827 119.950 -0.265 0.000 2.293 476 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 476 F C 2.708 178.215 175.800 -0.489 0.000 1.086 476 F CA 0.650 58.460 58.000 -0.317 0.000 1.375 476 F CB 0.008 38.958 39.000 -0.082 0.000 1.045 476 F HN 0.289 nan 8.300 nan 0.000 0.516 477 A N -0.820 121.691 122.820 -0.515 0.000 1.897 477 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 477 A C 2.267 179.592 177.584 -0.432 0.000 1.181 477 A CA 1.928 53.581 52.037 -0.640 0.000 0.620 477 A CB -0.789 17.420 19.000 -1.319 0.000 0.821 477 A HN 0.273 nan 8.150 nan 0.000 0.443 478 S N -0.703 114.747 115.700 -0.417 0.000 2.446 478 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 478 S C 0.395 174.843 174.600 -0.253 0.000 1.016 478 S CA 0.508 58.544 58.200 -0.274 0.000 0.943 478 S CB -0.133 62.940 63.200 -0.210 0.000 0.786 478 S HN 0.589 nan 8.310 nan 0.000 0.508 479 K N 1.478 121.620 120.400 -0.430 0.000 3.419 479 K HA -0.179 4.141 4.320 -0.000 0.000 0.272 479 K C -0.876 175.668 176.600 -0.093 0.000 0.973 479 K CA 0.316 56.269 56.287 -0.556 0.000 0.749 479 K CB -1.233 31.054 32.500 -0.355 0.000 1.403 479 K HN 0.393 nan 8.250 nan 0.000 0.456 480 R N 1.707 122.193 120.500 -0.022 0.000 2.248 480 R HA 0.125 4.465 4.340 -0.000 0.000 0.328 480 R C 0.058 176.487 176.300 0.216 0.000 1.067 480 R CA -0.073 56.078 56.100 0.084 0.000 0.924 480 R CB 0.566 30.894 30.300 0.047 0.000 1.013 480 R HN 0.276 nan 8.270 nan 0.000 0.454 481 E N 1.745 122.063 120.200 0.195 0.000 2.231 481 E HA 0.174 4.524 4.350 -0.000 0.000 0.277 481 E C -0.293 176.359 176.600 0.087 0.000 0.999 481 E CA -0.688 55.819 56.400 0.178 0.000 0.827 481 E CB 1.846 31.625 29.700 0.132 0.000 1.101 481 E HN 0.196 nan 8.360 nan 0.000 0.393 482 V N 4.146 124.089 119.914 0.048 0.000 2.740 482 V HA -0.037 4.083 4.120 -0.000 0.000 0.303 482 V C 1.002 177.117 176.094 0.035 0.000 1.054 482 V CA 0.636 62.961 62.300 0.041 0.000 1.106 482 V CB 0.746 32.594 31.823 0.043 0.000 0.957 482 V HN 0.706 nan 8.190 nan 0.000 0.486 483 L N 2.283 123.524 121.223 0.029 0.000 2.519 483 L HA 0.281 4.621 4.340 -0.000 0.000 0.194 483 L C 0.711 177.594 176.870 0.022 0.000 1.072 483 L CA 0.632 55.487 54.840 0.025 0.000 0.845 483 L CB 0.569 42.641 42.059 0.021 0.000 1.138 483 L HN 0.654 nan 8.230 nan 0.000 0.487 484 T N -0.220 114.339 114.554 0.008 0.000 2.903 484 T HA 0.637 4.987 4.350 -0.000 0.000 0.299 484 T C -1.163 173.512 174.700 -0.043 0.000 1.093 484 T CA -0.313 61.785 62.100 -0.004 0.000 1.002 484 T CB 3.038 71.901 68.868 -0.008 0.000 1.127 484 T HN -0.272 nan 8.240 nan 0.000 0.488 485 V N 2.275 122.150 119.914 -0.066 0.000 2.808 485 V HA 0.396 4.516 4.120 -0.000 0.000 0.308 485 V C -0.661 175.356 176.094 -0.129 0.000 1.099 485 V CA -1.014 61.182 62.300 -0.173 0.000 0.920 485 V CB 2.312 33.953 31.823 -0.303 0.000 1.014 485 V HN 0.874 nan 8.190 nan 0.000 0.425 486 D N 2.701 123.020 120.400 -0.136 0.000 2.383 486 D HA 0.519 5.159 4.640 -0.000 0.000 0.248 486 D C 0.774 176.972 176.300 -0.170 0.000 1.170 486 D CA -0.114 53.798 54.000 -0.148 0.000 0.977 486 D CB 1.321 41.988 40.800 -0.222 0.000 1.120 486 D HN 0.578 nan 8.370 nan 0.000 0.481 487 L N -0.050 121.072 121.223 -0.169 0.000 3.865 487 L HA -0.284 4.056 4.340 -0.000 0.000 0.408 487 L C 1.815 178.695 176.870 0.016 0.000 1.209 487 L CA 0.550 55.303 54.840 -0.146 0.000 0.940 487 L CB -2.574 39.254 42.059 -0.385 0.000 1.971 487 L HN 0.531 nan 8.230 nan 0.000 0.899 488 T N -5.057 109.529 114.554 0.053 0.000 2.977 488 T HA -0.169 4.181 4.350 -0.000 0.000 0.271 488 T C 1.694 176.489 174.700 0.159 0.000 1.105 488 T CA 1.519 63.713 62.100 0.157 0.000 1.116 488 T CB -0.425 68.538 68.868 0.160 0.000 0.878 488 T HN 0.619 nan 8.240 nan 0.000 0.509 489 T N 0.287 114.899 114.554 0.096 0.000 3.035 489 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 489 T C 1.616 176.382 174.700 0.110 0.000 1.109 489 T CA 1.195 63.350 62.100 0.092 0.000 1.119 489 T CB -0.712 68.187 68.868 0.051 0.000 0.900 489 T HN 0.642 nan 8.240 nan 0.000 0.503 490 T N -0.863 113.763 114.554 0.120 0.000 3.339 490 T HA 0.347 4.697 4.350 -0.000 0.000 0.292 490 T C -0.032 174.806 174.700 0.230 0.000 1.012 490 T CA -0.844 61.340 62.100 0.140 0.000 0.937 490 T CB -0.198 68.718 68.868 0.080 0.000 1.164 490 T HN 0.291 nan 8.240 nan 0.000 0.509 491 N N 1.431 120.315 118.700 0.308 0.000 2.716 491 N HA 0.168 4.908 4.740 -0.000 0.000 0.245 491 N C 0.340 176.141 175.510 0.486 0.000 1.495 491 N CA -0.296 53.042 53.050 0.480 0.000 0.759 491 N CB 1.834 40.709 38.487 0.646 0.000 1.261 491 N HN 0.046 nan 8.380 nan 0.000 0.515 492 L N 2.236 123.687 121.223 0.380 0.000 2.127 492 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 492 L C 2.449 179.549 176.870 0.383 0.000 1.089 492 L CA 2.023 57.073 54.840 0.351 0.000 0.757 492 L CB -0.189 42.040 42.059 0.284 0.000 0.899 492 L HN 0.433 nan 8.230 nan 0.000 0.434 493 E N -1.491 118.919 120.200 0.350 0.000 2.267 493 E HA -0.290 4.060 4.350 -0.000 0.000 0.197 493 E C 1.708 178.388 176.600 0.134 0.000 0.998 493 E CA 1.678 58.217 56.400 0.231 0.000 0.830 493 E CB -0.961 28.796 29.700 0.095 0.000 0.751 493 E HN 0.715 nan 8.360 nan 0.000 0.491 494 W N 0.282 121.725 121.300 0.239 0.000 3.077 494 W HA 0.205 4.865 4.660 -0.000 0.000 0.266 494 W C 1.812 178.407 176.519 0.126 0.000 1.300 494 W CA -0.431 57.007 57.345 0.155 0.000 1.586 494 W CB 0.073 29.606 29.460 0.122 0.000 1.103 494 W HN 0.090 nan 8.180 nan 0.000 0.652 495 L N 0.832 122.251 121.223 0.326 0.000 2.395 495 L HA 0.082 4.422 4.340 -0.000 0.000 0.218 495 L C 1.289 178.234 176.870 0.126 0.000 1.130 495 L CA 1.494 56.471 54.840 0.229 0.000 0.826 495 L CB -0.476 41.721 42.059 0.230 0.000 0.941 495 L HN -0.062 nan 8.230 nan 0.000 0.451 496 N N 0.724 119.474 118.700 0.084 0.000 2.362 496 N HA 0.168 4.908 4.740 -0.000 0.000 0.204 496 N C 0.717 176.252 175.510 0.041 0.000 1.166 496 N CA 0.789 53.837 53.050 -0.003 0.000 0.831 496 N CB 0.079 38.500 38.487 -0.110 0.000 1.008 496 N HN 0.418 nan 8.380 nan 0.000 0.472 497 G N 0.252 109.108 108.800 0.094 0.000 2.796 497 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.571 497 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.571 497 G C -0.835 174.118 174.900 0.088 0.000 1.370 497 G CA -0.708 44.447 45.100 0.092 0.000 0.856 497 G HN 0.325 nan 8.290 nan 0.000 0.538 498 C N 2.421 121.757 119.300 0.060 0.000 2.383 498 C HA 0.678 5.138 4.460 -0.000 0.000 0.330 498 C C -1.564 173.398 174.990 -0.046 0.000 1.168 498 C CA -0.716 58.310 59.018 0.013 0.000 1.374 498 C CB 1.228 28.995 27.740 0.044 0.000 2.014 498 C HN 0.822 nan 8.230 nan 0.000 0.439 499 P HA 0.408 nan 4.420 nan 0.000 0.276 499 P C -2.620 174.726 177.300 0.077 0.000 1.252 499 P CA -1.232 61.886 63.100 0.030 0.000 0.802 499 P CB 0.207 31.958 31.700 0.086 0.000 1.035 500 P HA 0.328 nan 4.420 nan 0.000 0.276 500 P C -2.522 174.808 177.300 0.051 0.000 1.252 500 P CA -1.708 61.444 63.100 0.087 0.000 0.802 500 P CB -1.098 30.667 31.700 0.109 0.000 1.035 501 P HA 0.055 nan 4.420 nan 0.000 0.272 501 P C 0.841 178.138 177.300 -0.005 0.000 1.240 501 P CA -0.094 63.020 63.100 0.023 0.000 0.791 501 P CB 0.121 31.837 31.700 0.026 0.000 0.978 502 Y N 0.549 120.752 120.300 -0.160 0.000 2.102 502 Y HA -0.250 4.300 4.550 -0.000 0.000 0.280 502 Y C 1.025 176.724 175.900 -0.336 0.000 1.178 502 Y CA 1.829 59.744 58.100 -0.310 0.000 1.146 502 Y CB -0.077 38.155 38.460 -0.381 0.000 0.968 502 Y HN 0.318 nan 8.280 nan 0.000 0.504 503 H N 0.342 119.459 119.070 0.077 0.000 2.504 503 H HA 0.322 4.878 4.556 -0.000 0.000 0.322 503 H C -0.104 175.217 175.328 -0.012 0.000 1.055 503 H CA 0.125 56.183 56.048 0.016 0.000 1.231 503 H CB 1.011 30.817 29.762 0.074 0.000 1.417 503 H HN 0.127 nan 8.280 nan 0.000 0.472 504 T N -0.919 113.698 114.554 0.104 0.000 2.932 504 T HA 0.364 4.714 4.350 -0.000 0.000 0.289 504 T C 0.127 174.865 174.700 0.064 0.000 1.039 504 T CA -0.815 61.251 62.100 -0.057 0.000 1.024 504 T CB 1.315 70.094 68.868 -0.149 0.000 1.090 504 T HN 0.439 nan 8.240 nan 0.000 0.496 505 F N -0.476 119.511 119.950 0.060 0.000 3.093 505 F HA -0.211 4.316 4.527 -0.000 0.000 0.287 505 F C 1.342 177.155 175.800 0.022 0.000 0.882 505 F CA 0.416 58.438 58.000 0.038 0.000 1.063 505 F CB -2.489 36.524 39.000 0.021 0.000 1.097 505 F HN 0.809 nan 8.300 nan 0.000 0.604 506 E N 0.276 120.534 120.200 0.096 0.000 2.118 506 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 506 E C 1.138 177.771 176.600 0.056 0.000 0.992 506 E CA 1.487 57.917 56.400 0.051 0.000 0.804 506 E CB 0.036 29.743 29.700 0.010 0.000 0.741 506 E HN 0.638 nan 8.360 nan 0.000 0.458 507 E N 1.692 121.934 120.200 0.070 0.000 2.146 507 E HA 0.134 4.484 4.350 -0.000 0.000 0.282 507 E C -2.357 174.335 176.600 0.153 0.000 0.989 507 E CA -2.632 53.819 56.400 0.085 0.000 0.799 507 E CB 0.930 30.670 29.700 0.067 0.000 1.088 507 E HN -0.153 nan 8.360 nan 0.000 0.397 508 P HA -0.009 nan 4.420 nan 0.000 0.272 508 P C -0.234 177.192 177.300 0.210 0.000 1.230 508 P CA -0.354 62.854 63.100 0.180 0.000 0.788 508 P CB 0.484 32.230 31.700 0.077 0.000 0.949 509 T N -0.626 114.070 114.554 0.237 0.000 2.856 509 T HA -0.033 4.317 4.350 -0.000 0.000 0.329 509 T C -0.328 174.480 174.700 0.180 0.000 1.094 509 T CA 0.013 62.243 62.100 0.217 0.000 1.112 509 T CB -0.181 68.785 68.868 0.164 0.000 1.009 509 T HN 0.406 nan 8.240 nan 0.000 0.550 510 Y N 1.824 122.165 120.300 0.070 0.000 2.331 510 Y HA 0.562 5.112 4.550 -0.000 0.000 0.338 510 Y C -1.223 174.700 175.900 0.039 0.000 0.992 510 Y CA -1.211 56.916 58.100 0.046 0.000 1.121 510 Y CB 1.039 39.526 38.460 0.044 0.000 1.184 510 Y HN 0.624 nan 8.280 nan 0.000 0.469 511 V N 6.509 126.170 119.914 -0.421 0.000 2.569 511 V HA 0.283 4.403 4.120 -0.000 0.000 0.301 511 V C -0.741 175.103 176.094 -0.417 0.000 1.044 511 V CA -1.221 60.920 62.300 -0.264 0.000 0.874 511 V CB 1.683 33.442 31.823 -0.107 0.000 1.002 511 V HN 0.864 nan 8.190 nan 0.000 0.424 512 N N 2.784 121.305 118.700 -0.297 0.000 2.513 512 N HA 0.381 5.121 4.740 -0.000 0.000 0.274 512 N C 0.757 176.205 175.510 -0.103 0.000 1.189 512 N CA -0.624 52.306 53.050 -0.199 0.000 0.975 512 N CB 1.462 39.944 38.487 -0.008 0.000 1.157 512 N HN 0.587 nan 8.380 nan 0.000 0.465 513 L N 1.546 122.722 121.223 -0.078 0.000 2.102 513 L HA 0.132 4.472 4.340 -0.000 0.000 0.202 513 L C 0.363 177.224 176.870 -0.015 0.000 1.076 513 L CA 1.401 56.215 54.840 -0.043 0.000 0.761 513 L CB -0.237 41.801 42.059 -0.036 0.000 0.921 513 L HN 0.740 nan 8.230 nan 0.000 0.444 514 K N 0.000 120.397 120.400 -0.005 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 0.014 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543