REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2zxw_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.818 175.800 0.030 0.000 0.967 2 F CA 0.000 58.051 58.000 0.085 0.000 1.383 2 F CB 0.000 39.055 39.000 0.092 0.000 1.145 3 I N 1.369 122.015 120.570 0.126 0.000 2.252 3 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 3 I C 1.559 177.326 176.117 -0.583 0.000 1.102 3 I CA 1.713 62.892 61.300 -0.201 0.000 1.385 3 I CB -0.452 37.387 38.000 -0.268 0.000 1.064 3 I HN 0.265 nan 8.210 nan 0.000 0.414 4 N N 0.675 119.125 118.700 -0.416 0.000 2.104 4 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 4 N C 1.876 177.240 175.510 -0.242 0.000 1.024 4 N CA 1.210 54.103 53.050 -0.261 0.000 0.853 4 N CB -0.306 38.125 38.487 -0.093 0.000 1.008 4 N HN 0.248 nan 8.380 nan 0.000 0.424 5 R N -1.125 119.145 120.500 -0.384 0.000 2.073 5 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 5 R C 1.080 176.884 176.300 -0.827 0.000 1.120 5 R CA 1.288 56.982 56.100 -0.677 0.000 0.967 5 R CB -0.075 29.652 30.300 -0.955 0.000 0.862 5 R HN 0.319 nan 8.270 nan 0.000 0.436 6 W N -1.345 119.769 121.300 -0.311 0.000 2.993 6 W HA 0.180 4.840 4.660 -0.000 0.000 0.290 6 W C 1.071 177.643 176.519 0.089 0.000 1.203 6 W CA -0.543 56.663 57.345 -0.231 0.000 1.582 6 W CB 0.449 29.594 29.460 -0.525 0.000 1.033 6 W HN 0.052 nan 8.180 nan 0.000 0.594 7 L N -1.532 119.767 121.223 0.128 0.000 2.575 7 L HA 0.226 4.566 4.340 -0.000 0.000 0.228 7 L C 0.675 177.792 176.870 0.412 0.000 1.075 7 L CA 0.890 55.813 54.840 0.138 0.000 0.867 7 L CB -0.320 41.581 42.059 -0.263 0.000 1.097 7 L HN -0.159 nan 8.230 nan 0.000 0.485 8 F N -1.367 118.598 119.950 0.025 0.000 2.735 8 F HA 0.402 4.929 4.527 -0.000 0.000 0.304 8 F C 1.247 177.040 175.800 -0.012 0.000 1.119 8 F CA -1.173 56.825 58.000 -0.004 0.000 1.280 8 F CB -0.957 38.020 39.000 -0.038 0.000 0.994 8 F HN -0.201 nan 8.300 nan 0.000 0.520 9 S N 1.035 116.831 115.700 0.161 0.000 2.566 9 S HA 0.207 4.677 4.470 -0.000 0.000 0.280 9 S C 1.066 175.678 174.600 0.021 0.000 1.343 9 S CA 0.943 59.142 58.200 -0.001 0.000 1.036 9 S CB 0.384 63.519 63.200 -0.108 0.000 0.866 9 S HN 0.491 nan 8.310 nan 0.000 0.526 10 T N 0.611 115.143 114.554 -0.036 0.000 3.641 10 T HA 0.281 4.631 4.350 -0.000 0.000 0.313 10 T C -0.415 174.215 174.700 -0.117 0.000 0.952 10 T CA -0.676 61.406 62.100 -0.031 0.000 1.004 10 T CB -0.577 68.301 68.868 0.016 0.000 1.209 10 T HN 0.543 nan 8.240 nan 0.000 0.493 11 N N 1.632 120.180 118.700 -0.255 0.000 2.446 11 N HA 0.157 4.897 4.740 -0.000 0.000 0.265 11 N C 1.113 176.321 175.510 -0.504 0.000 0.975 11 N CA -0.234 52.505 53.050 -0.519 0.000 0.928 11 N CB 1.398 39.299 38.487 -0.978 0.000 1.160 11 N HN 0.545 nan 8.380 nan 0.000 0.495 12 H N 3.840 122.657 119.070 -0.423 0.000 2.390 12 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 12 H C 0.994 175.967 175.328 -0.591 0.000 1.106 12 H CA 1.731 57.541 56.048 -0.397 0.000 1.297 12 H CB 0.259 29.830 29.762 -0.319 0.000 1.375 12 H HN 0.503 nan 8.280 nan 0.000 0.509 13 K N 0.220 119.730 120.400 -1.483 0.000 2.001 13 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 13 K C 1.907 177.797 176.600 -1.182 0.000 1.048 13 K CA 1.313 56.517 56.287 -1.805 0.000 0.932 13 K CB -0.041 31.333 32.500 -1.877 0.000 0.715 13 K HN 0.265 nan 8.250 nan 0.000 0.437 14 D N 1.277 121.198 120.400 -0.799 0.000 2.106 14 D HA -0.165 4.475 4.640 -0.000 0.000 0.191 14 D C 1.910 178.041 176.300 -0.282 0.000 0.997 14 D CA 1.164 54.905 54.000 -0.432 0.000 0.834 14 D CB -0.344 40.069 40.800 -0.644 0.000 0.956 14 D HN 0.141 nan 8.370 nan 0.000 0.448 15 I N 0.719 121.082 120.570 -0.344 0.000 2.194 15 I HA -0.219 3.951 4.170 -0.000 0.000 0.246 15 I C 2.486 178.554 176.117 -0.080 0.000 1.093 15 I CA 1.478 62.631 61.300 -0.245 0.000 1.355 15 I CB -0.470 37.463 38.000 -0.113 0.000 1.046 15 I HN 0.041 nan 8.210 nan 0.000 0.413 16 G N -0.265 108.445 108.800 -0.150 0.000 2.422 16 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 16 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 16 G C 1.651 176.621 174.900 0.118 0.000 1.140 16 G CA 1.238 46.345 45.100 0.010 0.000 0.775 16 G HN 0.290 nan 8.290 nan 0.000 0.545 17 T N 1.203 115.777 114.554 0.033 0.000 2.770 17 T HA 0.037 4.387 4.350 -0.000 0.000 0.263 17 T C 2.431 177.155 174.700 0.040 0.000 1.039 17 T CA 0.548 62.762 62.100 0.190 0.000 1.142 17 T CB -0.183 68.856 68.868 0.286 0.000 0.868 17 T HN 0.135 nan 8.240 nan 0.000 0.435 18 L N -0.248 120.874 121.223 -0.168 0.000 2.013 18 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 18 L C 2.411 179.079 176.870 -0.337 0.000 1.073 18 L CA 1.729 56.237 54.840 -0.553 0.000 0.753 18 L CB -0.635 40.588 42.059 -1.394 0.000 0.890 18 L HN 0.279 nan 8.230 nan 0.000 0.432 19 Y N -0.128 120.057 120.300 -0.192 0.000 2.207 19 Y HA -0.246 4.304 4.550 -0.000 0.000 0.287 19 Y C 2.409 178.465 175.900 0.259 0.000 1.156 19 Y CA 1.367 59.587 58.100 0.199 0.000 1.182 19 Y CB -0.337 38.215 38.460 0.152 0.000 0.979 19 Y HN 0.080 nan 8.280 nan 0.000 0.521 20 L N -1.129 120.277 121.223 0.306 0.000 2.093 20 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 20 L C 2.232 179.257 176.870 0.259 0.000 1.085 20 L CA 0.996 55.981 54.840 0.242 0.000 0.755 20 L CB -0.648 41.515 42.059 0.173 0.000 0.904 20 L HN 0.240 nan 8.230 nan 0.000 0.435 21 L N -1.324 120.043 121.223 0.239 0.000 2.046 21 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 21 L C 2.550 179.598 176.870 0.297 0.000 1.077 21 L CA 1.329 56.301 54.840 0.220 0.000 0.747 21 L CB -0.482 41.654 42.059 0.127 0.000 0.896 21 L HN 0.160 nan 8.230 nan 0.000 0.432 22 F N 0.797 120.883 119.950 0.227 0.000 2.051 22 F HA -0.156 4.371 4.527 -0.000 0.000 0.296 22 F C 2.318 178.329 175.800 0.352 0.000 1.122 22 F CA 1.762 59.936 58.000 0.290 0.000 1.201 22 F CB -0.725 38.471 39.000 0.327 0.000 0.978 22 F HN -0.003 nan 8.300 nan 0.000 0.472 23 G N -0.310 108.796 108.800 0.511 0.000 2.469 23 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 23 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 23 G C 1.774 176.797 174.900 0.205 0.000 1.150 23 G CA 1.043 46.357 45.100 0.356 0.000 0.763 23 G HN 0.655 nan 8.290 nan 0.000 0.561 24 A N -0.102 122.827 122.820 0.182 0.000 1.858 24 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 24 A C 2.165 179.824 177.584 0.124 0.000 1.190 24 A CA 1.626 53.726 52.037 0.104 0.000 0.617 24 A CB -0.894 18.160 19.000 0.090 0.000 0.827 24 A HN 0.516 nan 8.150 nan 0.000 0.443 25 W N 0.468 121.764 121.300 -0.008 0.000 2.317 25 W HA -0.229 4.431 4.660 -0.000 0.000 0.318 25 W C 2.627 179.139 176.519 -0.011 0.000 1.227 25 W CA 2.783 60.105 57.345 -0.037 0.000 1.269 25 W CB -0.335 29.070 29.460 -0.092 0.000 1.155 25 W HN 0.393 nan 8.180 nan 0.000 0.484 26 A N 0.268 123.233 122.820 0.242 0.000 1.948 26 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 26 A C 2.176 179.824 177.584 0.106 0.000 1.177 26 A CA 2.234 54.413 52.037 0.236 0.000 0.636 26 A CB -1.699 17.392 19.000 0.152 0.000 0.815 26 A HN 0.450 nan 8.150 nan 0.000 0.449 27 G N -1.510 107.327 108.800 0.062 0.000 2.448 27 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 27 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 27 G C 1.426 176.313 174.900 -0.022 0.000 1.135 27 G CA 1.058 46.179 45.100 0.035 0.000 0.784 27 G HN 0.342 nan 8.290 nan 0.000 0.543 28 M N 0.666 120.198 119.600 -0.113 0.000 2.099 28 M HA -0.000 4.480 4.480 -0.000 0.000 0.262 28 M C 2.766 178.948 176.300 -0.197 0.000 1.067 28 M CA 0.725 55.911 55.300 -0.191 0.000 1.124 28 M CB -1.307 31.093 32.600 -0.332 0.000 1.353 28 M HN 0.095 nan 8.290 nan 0.000 0.410 29 V N 0.502 120.263 119.914 -0.255 0.000 2.287 29 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 29 V C 2.621 178.738 176.094 0.038 0.000 1.053 29 V CA 2.181 64.399 62.300 -0.136 0.000 1.027 29 V CB -1.741 30.053 31.823 -0.049 0.000 0.646 29 V HN 0.591 nan 8.190 nan 0.000 0.447 30 G N -0.916 107.938 108.800 0.091 0.000 2.443 30 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 30 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 30 G C 1.650 176.661 174.900 0.186 0.000 1.131 30 G CA 1.362 46.562 45.100 0.167 0.000 0.775 30 G HN 0.498 nan 8.290 nan 0.000 0.547 31 T N 1.568 116.171 114.554 0.082 0.000 2.812 31 T HA 0.122 4.472 4.350 -0.000 0.000 0.264 31 T C 2.857 177.556 174.700 -0.002 0.000 1.042 31 T CA 1.197 63.327 62.100 0.050 0.000 1.140 31 T CB -0.331 68.540 68.868 0.005 0.000 0.870 31 T HN 0.338 nan 8.240 nan 0.000 0.445 32 A N 1.674 124.476 122.820 -0.029 0.000 1.873 32 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 32 A C 2.312 179.889 177.584 -0.012 0.000 1.193 32 A CA 1.473 53.483 52.037 -0.045 0.000 0.629 32 A CB -1.060 17.903 19.000 -0.061 0.000 0.826 32 A HN 0.465 nan 8.150 nan 0.000 0.447 33 L N 0.384 121.633 121.223 0.042 0.000 2.042 33 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 33 L C 3.070 179.906 176.870 -0.056 0.000 1.076 33 L CA 1.720 56.593 54.840 0.055 0.000 0.749 33 L CB -0.565 41.595 42.059 0.169 0.000 0.893 33 L HN 0.648 nan 8.230 nan 0.000 0.432 34 S N -0.088 115.558 115.700 -0.090 0.000 2.382 34 S HA -0.174 4.296 4.470 -0.000 0.000 0.228 34 S C 1.960 176.478 174.600 -0.138 0.000 1.027 34 S CA 0.980 59.000 58.200 -0.299 0.000 0.991 34 S CB -0.670 62.457 63.200 -0.122 0.000 0.823 34 S HN 0.372 nan 8.310 nan 0.000 0.469 35 L N 0.359 121.531 121.223 -0.084 0.000 2.141 35 L HA 0.059 4.399 4.340 -0.000 0.000 0.209 35 L C 2.552 179.420 176.870 -0.004 0.000 1.094 35 L CA 0.890 55.683 54.840 -0.079 0.000 0.763 35 L CB -0.451 41.504 42.059 -0.172 0.000 0.908 35 L HN 0.324 nan 8.230 nan 0.000 0.437 36 L N -0.585 120.636 121.223 -0.003 0.000 2.141 36 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 36 L C 2.372 179.294 176.870 0.086 0.000 1.094 36 L CA 1.160 56.028 54.840 0.046 0.000 0.763 36 L CB -0.267 41.812 42.059 0.033 0.000 0.908 36 L HN 0.209 nan 8.230 nan 0.000 0.437 37 I N -0.824 119.764 120.570 0.031 0.000 2.226 37 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 37 I C 2.572 178.809 176.117 0.201 0.000 1.100 37 I CA 1.160 62.526 61.300 0.110 0.000 1.374 37 I CB -0.292 37.689 38.000 -0.032 0.000 1.057 37 I HN 0.223 nan 8.210 nan 0.000 0.413 38 R N 0.635 121.201 120.500 0.110 0.000 2.161 38 R HA 0.108 4.448 4.340 -0.000 0.000 0.213 38 R C 2.315 178.710 176.300 0.159 0.000 1.055 38 R CA 1.021 57.192 56.100 0.118 0.000 0.996 38 R CB -0.327 30.010 30.300 0.062 0.000 0.901 38 R HN 0.314 nan 8.270 nan 0.000 0.456 39 A N 1.530 124.460 122.820 0.183 0.000 1.883 39 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 39 A C 2.086 179.757 177.584 0.145 0.000 1.186 39 A CA 1.799 53.946 52.037 0.182 0.000 0.624 39 A CB -0.354 18.753 19.000 0.179 0.000 0.822 39 A HN 0.234 nan 8.150 nan 0.000 0.444 40 E N 0.021 120.326 120.200 0.174 0.000 2.153 40 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 40 E C 1.491 178.171 176.600 0.134 0.000 0.988 40 E CA 1.238 57.734 56.400 0.160 0.000 0.811 40 E CB -0.299 29.557 29.700 0.261 0.000 0.746 40 E HN 0.601 nan 8.360 nan 0.000 0.466 41 L N -1.066 120.267 121.223 0.184 0.000 2.607 41 L HA 0.311 4.651 4.340 -0.000 0.000 0.228 41 L C 2.030 179.032 176.870 0.219 0.000 1.123 41 L CA 0.279 55.271 54.840 0.253 0.000 0.890 41 L CB 0.234 42.418 42.059 0.208 0.000 1.103 41 L HN 0.198 nan 8.230 nan 0.000 0.468 42 G N 0.481 109.360 108.800 0.133 0.000 2.443 42 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 42 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 42 G C 0.561 175.508 174.900 0.078 0.000 1.131 42 G CA 0.330 45.474 45.100 0.074 0.000 0.775 42 G HN 0.516 nan 8.290 nan 0.000 0.547 43 Q N -0.834 119.026 119.800 0.100 0.000 2.462 43 Q HA 0.548 4.888 4.340 -0.000 0.000 0.285 43 Q C -3.252 172.770 176.000 0.036 0.000 1.035 43 Q CA -2.353 53.502 55.803 0.086 0.000 0.799 43 Q CB 1.739 30.489 28.738 0.019 0.000 1.452 43 Q HN -0.144 nan 8.270 nan 0.000 0.404 44 P HA 0.348 nan 4.420 nan 0.000 0.266 44 P C -0.012 177.171 177.300 -0.195 0.000 1.195 44 P CA 1.279 64.223 63.100 -0.260 0.000 0.768 44 P CB 0.524 32.133 31.700 -0.152 0.000 0.838 45 G N 1.174 109.822 108.800 -0.252 0.000 2.353 45 G HA2 0.053 4.013 3.960 -0.000 0.000 0.615 45 G HA3 0.053 4.013 3.960 -0.000 0.000 0.615 45 G C -1.289 173.527 174.900 -0.140 0.000 1.280 45 G CA -0.835 44.171 45.100 -0.156 0.000 1.000 45 G HN 0.512 nan 8.290 nan 0.000 0.516 46 T N 0.945 115.444 114.554 -0.090 0.000 2.770 46 T HA 0.507 4.857 4.350 -0.000 0.000 0.283 46 T C 1.100 175.785 174.700 -0.025 0.000 0.988 46 T CA 0.203 62.265 62.100 -0.064 0.000 0.957 46 T CB 1.638 70.473 68.868 -0.055 0.000 0.930 46 T HN 0.938 nan 8.240 nan 0.000 0.443 47 L N 4.182 125.406 121.223 0.001 0.000 2.262 47 L HA 0.421 4.761 4.340 -0.000 0.000 0.197 47 L C 1.572 178.467 176.870 0.041 0.000 1.073 47 L CA 1.185 56.041 54.840 0.026 0.000 0.800 47 L CB -0.251 41.836 42.059 0.047 0.000 0.987 47 L HN 0.624 nan 8.230 nan 0.000 0.470 48 L N -1.049 120.212 121.223 0.063 0.000 2.200 48 L HA 0.505 4.845 4.340 -0.000 0.000 0.200 48 L C 1.137 178.043 176.870 0.059 0.000 1.072 48 L CA 0.418 55.302 54.840 0.072 0.000 0.787 48 L CB -0.509 41.615 42.059 0.108 0.000 0.957 48 L HN 0.410 nan 8.230 nan 0.000 0.459 49 G N -0.672 108.163 108.800 0.058 0.000 2.323 49 G HA2 0.165 4.125 3.960 -0.000 0.000 0.291 49 G HA3 0.165 4.125 3.960 -0.000 0.000 0.291 49 G C -1.919 173.007 174.900 0.043 0.000 1.278 49 G CA -0.166 44.962 45.100 0.047 0.000 0.860 49 G HN 0.112 nan 8.290 nan 0.000 0.504 50 D N -0.515 119.909 120.400 0.039 0.000 2.376 50 D HA 0.275 4.915 4.640 -0.000 0.000 0.268 50 D C 0.620 176.965 176.300 0.075 0.000 1.252 50 D CA -0.080 53.935 54.000 0.024 0.000 1.041 50 D CB 0.271 41.080 40.800 0.015 0.000 1.109 50 D HN 0.176 nan 8.370 nan 0.000 0.552 51 D N -1.488 118.951 120.400 0.065 0.000 2.309 51 D HA -0.139 4.501 4.640 -0.000 0.000 0.212 51 D C 1.673 178.097 176.300 0.207 0.000 0.968 51 D CA 0.894 54.984 54.000 0.151 0.000 0.882 51 D CB -0.080 40.779 40.800 0.098 0.000 0.918 51 D HN 0.434 nan 8.370 nan 0.000 0.503 52 Q N 0.834 120.721 119.800 0.145 0.000 1.990 52 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 52 Q C 2.141 178.235 176.000 0.156 0.000 0.980 52 Q CA 0.942 56.830 55.803 0.142 0.000 0.832 52 Q CB -0.459 28.329 28.738 0.084 0.000 0.897 52 Q HN 0.355 nan 8.270 nan 0.000 0.427 53 I N -0.257 120.397 120.570 0.141 0.000 2.226 53 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 53 I C 2.026 178.235 176.117 0.154 0.000 1.100 53 I CA 1.398 62.777 61.300 0.132 0.000 1.374 53 I CB -0.230 37.837 38.000 0.113 0.000 1.057 53 I HN 0.462 nan 8.210 nan 0.000 0.413 54 Y N 2.236 122.586 120.300 0.085 0.000 2.081 54 Y HA -0.355 4.195 4.550 -0.000 0.000 0.280 54 Y C 2.271 178.238 175.900 0.112 0.000 1.163 54 Y CA 2.348 60.505 58.100 0.095 0.000 1.135 54 Y CB -0.387 38.130 38.460 0.095 0.000 0.970 54 Y HN 0.262 nan 8.280 nan 0.000 0.498 55 N N -0.249 118.523 118.700 0.120 0.000 2.459 55 N HA -0.107 4.633 4.740 -0.000 0.000 0.181 55 N C 1.808 177.338 175.510 0.034 0.000 1.046 55 N CA 1.082 54.155 53.050 0.038 0.000 0.904 55 N CB -0.130 38.458 38.487 0.169 0.000 0.964 55 N HN 0.310 nan 8.380 nan 0.000 0.444 56 V N 0.475 120.434 119.914 0.076 0.000 2.427 56 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 56 V C 2.295 178.428 176.094 0.066 0.000 1.051 56 V CA 1.058 63.416 62.300 0.096 0.000 1.048 56 V CB -0.247 31.650 31.823 0.123 0.000 0.666 56 V HN 0.053 nan 8.190 nan 0.000 0.456 57 V N -0.594 119.320 119.914 -0.000 0.000 2.379 57 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 57 V C 2.374 178.451 176.094 -0.030 0.000 1.044 57 V CA 1.566 63.858 62.300 -0.014 0.000 1.036 57 V CB -0.180 31.603 31.823 -0.067 0.000 0.664 57 V HN 0.400 nan 8.190 nan 0.000 0.453 58 V N -0.019 119.805 119.914 -0.151 0.000 2.427 58 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 58 V C 2.567 178.684 176.094 0.038 0.000 1.051 58 V CA 2.547 64.797 62.300 -0.083 0.000 1.048 58 V CB -0.918 30.803 31.823 -0.171 0.000 0.666 58 V HN 0.601 nan 8.190 nan 0.000 0.456 59 T N 0.421 114.983 114.554 0.013 0.000 2.737 59 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 59 T C 2.101 176.814 174.700 0.021 0.000 1.038 59 T CA 1.611 63.696 62.100 -0.025 0.000 1.144 59 T CB -0.424 68.463 68.868 0.031 0.000 0.866 59 T HN 0.560 nan 8.240 nan 0.000 0.434 60 A N 1.385 124.303 122.820 0.164 0.000 1.877 60 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 60 A C 1.985 179.704 177.584 0.225 0.000 1.186 60 A CA 2.420 54.620 52.037 0.272 0.000 0.620 60 A CB -1.145 18.008 19.000 0.255 0.000 0.822 60 A HN 0.684 nan 8.150 nan 0.000 0.443 61 H N 0.376 119.490 119.070 0.074 0.000 2.265 61 H HA -0.160 4.396 4.556 -0.000 0.000 0.293 61 H C 2.159 177.485 175.328 -0.002 0.000 1.089 61 H CA 2.746 58.824 56.048 0.050 0.000 1.244 61 H CB -0.580 29.201 29.762 0.031 0.000 1.355 61 H HN 0.388 nan 8.280 nan 0.000 0.485 62 A N 0.013 122.669 122.820 -0.273 0.000 1.873 62 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 62 A C 2.359 179.744 177.584 -0.332 0.000 1.193 62 A CA 1.822 53.555 52.037 -0.506 0.000 0.629 62 A CB -1.278 17.354 19.000 -0.615 0.000 0.826 62 A HN 0.477 nan 8.150 nan 0.000 0.447 63 F N -0.239 119.716 119.950 0.008 0.000 2.126 63 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 63 F C 2.508 178.266 175.800 -0.069 0.000 1.096 63 F CA 1.201 59.266 58.000 0.108 0.000 1.255 63 F CB -0.899 38.162 39.000 0.101 0.000 0.997 63 F HN 0.033 nan 8.300 nan 0.000 0.479 64 V N -0.618 119.396 119.914 0.167 0.000 2.323 64 V HA -0.264 3.856 4.120 -0.000 0.000 0.244 64 V C 2.465 178.577 176.094 0.029 0.000 1.041 64 V CA 1.344 63.747 62.300 0.171 0.000 1.025 64 V CB -0.449 31.539 31.823 0.275 0.000 0.656 64 V HN 0.184 nan 8.190 nan 0.000 0.451 65 M N -0.843 118.701 119.600 -0.093 0.000 2.159 65 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 65 M C 2.100 178.273 176.300 -0.211 0.000 1.063 65 M CA 1.885 57.092 55.300 -0.155 0.000 1.110 65 M CB -0.879 31.548 32.600 -0.289 0.000 1.374 65 M HN 0.283 nan 8.290 nan 0.000 0.411 66 I N -1.383 118.990 120.570 -0.328 0.000 2.206 66 I HA -0.226 3.944 4.170 -0.000 0.000 0.239 66 I C 1.922 177.756 176.117 -0.472 0.000 1.078 66 I CA 1.241 62.239 61.300 -0.504 0.000 1.367 66 I CB -0.359 37.154 38.000 -0.811 0.000 1.078 66 I HN 0.066 nan 8.210 nan 0.000 0.413 67 F N -0.574 119.198 119.950 -0.296 0.000 2.569 67 F HA 0.032 4.559 4.527 -0.000 0.000 0.295 67 F C 1.608 177.211 175.800 -0.328 0.000 1.115 67 F CA 0.713 58.468 58.000 -0.408 0.000 1.450 67 F CB 0.027 38.612 39.000 -0.691 0.000 1.107 67 F HN -0.050 nan 8.300 nan 0.000 0.563 68 F N -2.588 117.463 119.950 0.167 0.000 2.752 68 F HA 0.218 4.745 4.527 -0.000 0.000 0.310 68 F C 1.805 177.732 175.800 0.212 0.000 1.097 68 F CA -0.065 58.052 58.000 0.195 0.000 1.238 68 F CB -0.201 38.652 39.000 -0.245 0.000 1.061 68 F HN -0.123 nan 8.300 nan 0.000 0.591 69 M N -0.425 119.321 119.600 0.244 0.000 2.969 69 M HA 0.140 4.620 4.480 -0.000 0.000 0.234 69 M C 1.978 178.370 176.300 0.153 0.000 1.409 69 M CA 1.196 56.608 55.300 0.187 0.000 1.314 69 M CB -0.512 32.149 32.600 0.102 0.000 1.130 69 M HN -0.098 nan 8.290 nan 0.000 0.558 70 V N 1.597 121.540 119.914 0.049 0.000 2.295 70 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 70 V C 2.558 178.687 176.094 0.058 0.000 1.049 70 V CA 2.016 64.333 62.300 0.029 0.000 1.024 70 V CB -0.705 31.076 31.823 -0.070 0.000 0.648 70 V HN 0.496 nan 8.190 nan 0.000 0.447 71 M N -0.738 118.878 119.600 0.026 0.000 2.156 71 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 71 M C -0.086 176.294 176.300 0.133 0.000 1.067 71 M CA 2.047 57.372 55.300 0.043 0.000 1.131 71 M CB -1.443 31.158 32.600 0.001 0.000 1.368 71 M HN 0.276 nan 8.290 nan 0.000 0.416 72 P HA -0.131 nan 4.420 nan 0.000 0.215 72 P C 1.440 178.912 177.300 0.286 0.000 1.157 72 P CA 1.367 64.698 63.100 0.385 0.000 0.868 72 P CB -0.118 31.966 31.700 0.640 0.000 0.788 73 I N -1.988 118.760 120.570 0.298 0.000 2.142 73 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 73 I C 2.465 178.788 176.117 0.342 0.000 1.078 73 I CA 1.760 63.233 61.300 0.289 0.000 1.343 73 I CB -0.502 37.678 38.000 0.299 0.000 1.046 73 I HN -0.055 nan 8.210 nan 0.000 0.405 74 M N -0.076 119.704 119.600 0.300 0.000 2.077 74 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 74 M C 2.225 178.652 176.300 0.210 0.000 1.070 74 M CA 2.102 57.589 55.300 0.312 0.000 1.125 74 M CB -0.116 32.577 32.600 0.155 0.000 1.339 74 M HN 0.159 nan 8.290 nan 0.000 0.409 75 I N -1.433 119.163 120.570 0.043 0.000 2.512 75 I HA 0.028 4.198 4.170 -0.000 0.000 0.247 75 I C 2.518 178.561 176.117 -0.123 0.000 1.094 75 I CA 0.931 62.164 61.300 -0.112 0.000 1.427 75 I CB -0.741 37.176 38.000 -0.139 0.000 1.149 75 I HN 0.261 nan 8.210 nan 0.000 0.438 76 G N 0.457 109.045 108.800 -0.353 0.000 2.394 76 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.215 76 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.215 76 G C 1.546 176.140 174.900 -0.510 0.000 1.165 76 G CA 0.824 45.226 45.100 -1.163 0.000 0.784 76 G HN 0.467 nan 8.290 nan 0.000 0.535 77 G N 0.553 109.293 108.800 -0.100 0.000 2.699 77 G HA2 0.052 4.012 3.960 -0.000 0.000 0.214 77 G HA3 0.052 4.012 3.960 -0.000 0.000 0.214 77 G C 1.449 176.335 174.900 -0.023 0.000 1.350 77 G CA 0.542 45.649 45.100 0.011 0.000 0.873 77 G HN 0.249 nan 8.290 nan 0.000 0.570 78 F N 1.876 121.897 119.950 0.117 0.000 2.115 78 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 78 F C 2.957 178.865 175.800 0.180 0.000 1.092 78 F CA 1.195 59.228 58.000 0.055 0.000 1.245 78 F CB -0.574 38.414 39.000 -0.019 0.000 0.995 78 F HN 0.252 nan 8.300 nan 0.000 0.481 79 G N -0.018 109.008 108.800 0.376 0.000 2.480 79 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 79 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 79 G C 1.648 176.816 174.900 0.446 0.000 1.200 79 G CA 1.106 46.345 45.100 0.232 0.000 0.782 79 G HN 0.261 nan 8.290 nan 0.000 0.554 80 N N -0.179 118.758 118.700 0.396 0.000 2.120 80 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 80 N C 1.945 177.573 175.510 0.197 0.000 1.024 80 N CA 0.947 54.135 53.050 0.230 0.000 0.852 80 N CB -0.284 38.247 38.487 0.073 0.000 1.003 80 N HN 0.570 nan 8.380 nan 0.000 0.424 81 W N 1.475 122.770 121.300 -0.009 0.000 2.354 81 W HA 0.016 4.676 4.660 -0.000 0.000 0.315 81 W C 2.163 178.671 176.519 -0.019 0.000 1.206 81 W CA 0.647 57.915 57.345 -0.130 0.000 1.290 81 W CB -0.229 28.836 29.460 -0.658 0.000 1.152 81 W HN -0.003 nan 8.180 nan 0.000 0.489 82 L N -1.605 119.764 121.223 0.245 0.000 2.202 82 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 82 L C 2.083 179.037 176.870 0.140 0.000 1.083 82 L CA 0.223 55.123 54.840 0.100 0.000 0.790 82 L CB -1.155 40.774 42.059 -0.216 0.000 0.942 82 L HN -0.197 nan 8.230 nan 0.000 0.452 83 V N 0.869 120.902 119.914 0.198 0.000 2.295 83 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 83 V C -0.196 175.890 176.094 -0.012 0.000 1.049 83 V CA 2.164 64.547 62.300 0.140 0.000 1.024 83 V CB -1.288 30.655 31.823 0.200 0.000 0.648 83 V HN 0.305 nan 8.190 nan 0.000 0.447 84 P HA -0.133 nan 4.420 nan 0.000 0.214 84 P C 1.952 179.140 177.300 -0.187 0.000 1.162 84 P CA 1.463 64.384 63.100 -0.299 0.000 0.879 84 P CB -0.093 31.160 31.700 -0.745 0.000 0.786 85 L N -1.709 119.489 121.223 -0.042 0.000 2.013 85 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 85 L C 2.532 179.431 176.870 0.049 0.000 1.073 85 L CA 1.853 56.789 54.840 0.160 0.000 0.753 85 L CB -1.068 41.151 42.059 0.266 0.000 0.890 85 L HN -0.012 nan 8.230 nan 0.000 0.432 86 M N -0.229 119.412 119.600 0.068 0.000 2.446 86 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 86 M C 1.757 178.059 176.300 0.003 0.000 1.066 86 M CA 1.415 56.778 55.300 0.105 0.000 1.087 86 M CB -0.188 32.534 32.600 0.203 0.000 1.406 86 M HN 0.390 nan 8.290 nan 0.000 0.459 87 I N -3.949 116.556 120.570 -0.109 0.000 3.974 87 I HA 0.479 4.649 4.170 -0.000 0.000 0.334 87 I C 0.959 176.871 176.117 -0.340 0.000 1.437 87 I CA -0.083 61.115 61.300 -0.169 0.000 1.113 87 I CB -0.300 37.613 38.000 -0.145 0.000 1.063 87 I HN 0.291 nan 8.210 nan 0.000 0.400 88 G N 1.841 110.263 108.800 -0.630 0.000 2.233 88 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.270 88 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.270 88 G C 0.428 174.769 174.900 -0.931 0.000 1.011 88 G CA 0.265 44.525 45.100 -1.400 0.000 0.762 88 G HN 0.964 nan 8.290 nan 0.000 0.511 89 A N 0.177 122.697 122.820 -0.501 0.000 2.371 89 A HA 0.736 5.056 4.320 -0.000 0.000 0.257 89 A C -0.009 177.539 177.584 -0.061 0.000 1.089 89 A CA -0.582 51.315 52.037 -0.233 0.000 0.794 89 A CB 0.846 19.717 19.000 -0.215 0.000 1.029 89 A HN 0.131 nan 8.150 nan 0.000 0.488 90 P HA 0.023 nan 4.420 nan 0.000 0.222 90 P C 0.138 177.488 177.300 0.083 0.000 1.153 90 P CA 1.047 64.219 63.100 0.120 0.000 0.798 90 P CB 0.368 32.120 31.700 0.086 0.000 0.796 91 D N -2.960 117.416 120.400 -0.040 0.000 3.024 91 D HA 0.152 4.792 4.640 -0.000 0.000 0.354 91 D C -0.810 175.372 176.300 -0.197 0.000 1.431 91 D CA -0.454 53.503 54.000 -0.073 0.000 0.842 91 D CB 0.484 41.290 40.800 0.009 0.000 1.437 91 D HN -0.326 nan 8.370 nan 0.000 0.507 92 M N 0.914 120.394 119.600 -0.200 0.000 2.368 92 M HA 0.418 4.898 4.480 -0.000 0.000 0.311 92 M C 1.158 177.285 176.300 -0.288 0.000 1.168 92 M CA -0.151 54.986 55.300 -0.273 0.000 1.044 92 M CB 0.850 33.278 32.600 -0.288 0.000 1.506 92 M HN 0.606 nan 8.290 nan 0.000 0.475 93 A N 1.216 123.765 122.820 -0.452 0.000 1.933 93 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 93 A C 0.434 177.604 177.584 -0.691 0.000 1.175 93 A CA 1.566 53.177 52.037 -0.710 0.000 0.628 93 A CB -0.230 18.073 19.000 -1.161 0.000 0.814 93 A HN 0.574 nan 8.150 nan 0.000 0.444 94 F N -0.696 119.198 119.950 -0.094 0.000 2.531 94 F HA 0.346 4.873 4.527 -0.000 0.000 0.333 94 F C -1.982 173.775 175.800 -0.071 0.000 1.292 94 F CA -2.846 55.111 58.000 -0.071 0.000 1.184 94 F CB 1.064 40.025 39.000 -0.064 0.000 1.426 94 F HN 0.051 nan 8.300 nan 0.000 0.559 95 P HA -0.110 nan 4.420 nan 0.000 0.230 95 P C 1.613 178.938 177.300 0.042 0.000 1.158 95 P CA 1.048 64.158 63.100 0.016 0.000 0.769 95 P CB 0.439 32.133 31.700 -0.009 0.000 0.807 96 R N -0.598 119.943 120.500 0.070 0.000 2.087 96 R HA 0.167 4.507 4.340 -0.000 0.000 0.216 96 R C 2.428 178.768 176.300 0.066 0.000 1.114 96 R CA 0.463 56.597 56.100 0.056 0.000 1.002 96 R CB -0.690 29.629 30.300 0.031 0.000 0.903 96 R HN -0.051 nan 8.270 nan 0.000 0.445 97 M N 1.380 121.019 119.600 0.066 0.000 2.143 97 M HA -0.256 4.224 4.480 -0.000 0.000 0.258 97 M C 1.717 178.068 176.300 0.085 0.000 1.071 97 M CA 2.047 57.378 55.300 0.052 0.000 1.088 97 M CB -0.248 32.365 32.600 0.022 0.000 1.360 97 M HN 0.157 nan 8.290 nan 0.000 0.404 98 N N 0.450 119.204 118.700 0.089 0.000 2.166 98 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 98 N C 1.303 176.899 175.510 0.143 0.000 1.019 98 N CA 1.702 54.804 53.050 0.087 0.000 0.856 98 N CB -0.372 38.122 38.487 0.012 0.000 0.993 98 N HN 0.371 nan 8.380 nan 0.000 0.426 99 N N -0.158 118.623 118.700 0.135 0.000 2.244 99 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 99 N C 1.644 177.324 175.510 0.282 0.000 1.016 99 N CA 0.783 53.957 53.050 0.207 0.000 0.866 99 N CB -0.176 38.448 38.487 0.228 0.000 0.980 99 N HN 0.385 nan 8.380 nan 0.000 0.430 100 M N -0.751 118.968 119.600 0.198 0.000 2.200 100 M HA -0.034 4.446 4.480 -0.000 0.000 0.265 100 M C 1.797 178.172 176.300 0.124 0.000 1.066 100 M CA 0.969 56.374 55.300 0.175 0.000 1.127 100 M CB -0.025 32.635 32.600 0.100 0.000 1.379 100 M HN 0.005 nan 8.290 nan 0.000 0.420 101 S N 0.387 116.166 115.700 0.132 0.000 2.387 101 S HA -0.191 4.279 4.470 -0.000 0.000 0.230 101 S C 1.475 176.111 174.600 0.060 0.000 1.035 101 S CA 1.663 59.954 58.200 0.151 0.000 1.014 101 S CB -0.547 62.806 63.200 0.256 0.000 0.836 101 S HN 0.625 nan 8.310 nan 0.000 0.466 102 F N 0.386 120.241 119.950 -0.157 0.000 2.098 102 F HA -0.001 4.526 4.527 -0.000 0.000 0.294 102 F C 1.583 177.035 175.800 -0.580 0.000 1.107 102 F CA 1.021 58.608 58.000 -0.690 0.000 1.234 102 F CB -0.506 37.895 39.000 -0.998 0.000 1.002 102 F HN 0.221 nan 8.300 nan 0.000 0.472 103 W N 0.461 121.581 121.300 -0.299 0.000 2.825 103 W HA 0.048 4.708 4.660 -0.000 0.000 0.243 103 W C 1.787 178.127 176.519 -0.298 0.000 1.293 103 W CA 0.204 57.367 57.345 -0.304 0.000 1.403 103 W CB -0.286 29.167 29.460 -0.011 0.000 1.134 103 W HN 0.032 nan 8.180 nan 0.000 0.666 104 L N -0.254 120.900 121.223 -0.115 0.000 2.395 104 L HA -0.110 4.230 4.340 -0.000 0.000 0.218 104 L C 2.015 178.804 176.870 -0.135 0.000 1.130 104 L CA 0.607 55.409 54.840 -0.063 0.000 0.826 104 L CB -0.333 41.721 42.059 -0.009 0.000 0.941 104 L HN 0.092 nan 8.230 nan 0.000 0.451 105 L N -0.435 120.541 121.223 -0.412 0.000 2.068 105 L HA -0.055 4.285 4.340 -0.000 0.000 0.204 105 L C -0.173 176.560 176.870 -0.228 0.000 1.076 105 L CA 0.941 55.521 54.840 -0.434 0.000 0.753 105 L CB -1.771 39.678 42.059 -1.018 0.000 0.910 105 L HN 0.156 nan 8.230 nan 0.000 0.439 106 P HA -0.142 nan 4.420 nan 0.000 0.216 106 P C -1.386 175.972 177.300 0.097 0.000 1.157 106 P CA 1.771 64.935 63.100 0.106 0.000 0.880 106 P CB -1.037 30.734 31.700 0.118 0.000 0.791 107 P HA -0.158 nan 4.420 nan 0.000 0.215 107 P C 1.920 179.280 177.300 0.099 0.000 1.153 107 P CA 1.769 64.910 63.100 0.069 0.000 0.853 107 P CB -0.489 31.241 31.700 0.051 0.000 0.788 108 S N -1.662 114.106 115.700 0.112 0.000 2.356 108 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 108 S C 1.853 176.598 174.600 0.242 0.000 1.032 108 S CA 1.030 59.348 58.200 0.196 0.000 1.005 108 S CB -1.207 62.163 63.200 0.283 0.000 0.867 108 S HN 0.043 nan 8.310 nan 0.000 0.449 109 F N 0.844 120.677 119.950 -0.196 0.000 2.126 109 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 109 F C 2.136 177.889 175.800 -0.078 0.000 1.096 109 F CA 1.024 58.766 58.000 -0.431 0.000 1.255 109 F CB -0.150 38.503 39.000 -0.579 0.000 0.997 109 F HN 0.309 nan 8.300 nan 0.000 0.479 110 L N 0.791 122.106 121.223 0.153 0.000 2.012 110 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 110 L C 2.008 178.954 176.870 0.127 0.000 1.073 110 L CA 1.765 56.653 54.840 0.079 0.000 0.748 110 L CB -0.838 41.248 42.059 0.045 0.000 0.891 110 L HN 0.145 nan 8.230 nan 0.000 0.431 111 L N -1.278 120.036 121.223 0.151 0.000 2.083 111 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 111 L C 2.544 179.522 176.870 0.179 0.000 1.083 111 L CA 1.410 56.343 54.840 0.154 0.000 0.752 111 L CB -0.583 41.572 42.059 0.160 0.000 0.899 111 L HN 0.384 nan 8.230 nan 0.000 0.433 112 L N -0.315 121.061 121.223 0.254 0.000 2.012 112 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 112 L C 2.464 179.499 176.870 0.275 0.000 1.073 112 L CA 1.510 56.531 54.840 0.301 0.000 0.748 112 L CB -0.092 42.277 42.059 0.517 0.000 0.891 112 L HN 0.152 nan 8.230 nan 0.000 0.431 113 L N -0.595 120.784 121.223 0.260 0.000 2.093 113 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 113 L C 2.785 179.732 176.870 0.128 0.000 1.085 113 L CA 1.033 55.976 54.840 0.171 0.000 0.755 113 L CB -0.798 41.305 42.059 0.072 0.000 0.904 113 L HN 0.355 nan 8.230 nan 0.000 0.435 114 A N 0.072 122.963 122.820 0.118 0.000 1.883 114 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 114 A C 2.557 180.205 177.584 0.107 0.000 1.186 114 A CA 2.235 54.331 52.037 0.099 0.000 0.624 114 A CB -0.940 18.118 19.000 0.096 0.000 0.822 114 A HN 0.504 nan 8.150 nan 0.000 0.444 115 S N 0.405 116.180 115.700 0.125 0.000 2.400 115 S HA -0.173 4.297 4.470 -0.000 0.000 0.232 115 S C 1.978 176.653 174.600 0.124 0.000 1.025 115 S CA 2.061 60.333 58.200 0.120 0.000 0.993 115 S CB -0.734 62.536 63.200 0.117 0.000 0.808 115 S HN 0.970 nan 8.310 nan 0.000 0.478 116 S N 0.365 116.145 115.700 0.133 0.000 2.501 116 S HA 0.242 4.712 4.470 -0.000 0.000 0.220 116 S C 1.856 176.518 174.600 0.103 0.000 0.997 116 S CA 0.193 58.470 58.200 0.128 0.000 0.919 116 S CB -0.287 62.998 63.200 0.142 0.000 0.778 116 S HN 0.372 nan 8.310 nan 0.000 0.523 117 M N 2.283 121.939 119.600 0.093 0.000 2.236 117 M HA 0.198 4.678 4.480 -0.000 0.000 0.266 117 M C 1.128 177.469 176.300 0.068 0.000 1.070 117 M CA 0.622 55.967 55.300 0.074 0.000 1.137 117 M CB -0.964 31.675 32.600 0.065 0.000 1.378 117 M HN 0.410 nan 8.290 nan 0.000 0.426 118 V N -0.474 119.484 119.914 0.074 0.000 2.686 118 V HA 0.311 4.431 4.120 -0.000 0.000 0.295 118 V C 0.772 176.907 176.094 0.068 0.000 1.057 118 V CA -0.972 61.368 62.300 0.067 0.000 1.012 118 V CB 0.984 32.847 31.823 0.068 0.000 1.006 118 V HN 0.568 nan 8.190 nan 0.000 0.477 119 E N 2.899 123.132 120.200 0.055 0.000 3.333 119 E HA -0.351 3.999 4.350 -0.000 0.000 0.342 119 E C 0.993 177.623 176.600 0.050 0.000 1.501 119 E CA 1.996 58.425 56.400 0.048 0.000 1.770 119 E CB -1.670 28.061 29.700 0.051 0.000 1.817 119 E HN 1.518 nan 8.360 nan 0.000 0.485 120 A N 1.702 124.552 122.820 0.049 0.000 2.460 120 A HA 0.502 4.822 4.320 -0.000 0.000 0.258 120 A C 0.938 178.580 177.584 0.096 0.000 1.300 120 A CA 1.540 53.609 52.037 0.053 0.000 0.913 120 A CB -0.149 18.859 19.000 0.013 0.000 1.031 120 A HN 1.402 nan 8.150 nan 0.000 0.512 121 G N -1.114 107.756 108.800 0.117 0.000 2.855 121 G HA2 0.277 4.237 3.960 -0.000 0.000 0.352 121 G HA3 0.277 4.237 3.960 -0.000 0.000 0.352 121 G C 0.130 175.161 174.900 0.219 0.000 1.415 121 G CA -0.312 44.878 45.100 0.150 0.000 0.871 121 G HN 1.718 nan 8.290 nan 0.000 0.543 122 A N 0.341 123.275 122.820 0.189 0.000 2.621 122 A HA 0.699 5.019 4.320 -0.000 0.000 0.329 122 A C 1.015 178.669 177.584 0.116 0.000 1.458 122 A CA 0.889 53.004 52.037 0.131 0.000 1.052 122 A CB 0.095 19.139 19.000 0.074 0.000 1.142 122 A HN 2.299 nan 8.150 nan 0.000 0.523 123 G N 1.556 110.510 108.800 0.257 0.000 3.717 123 G HA2 0.343 4.303 3.960 -0.000 0.000 0.258 123 G HA3 0.343 4.303 3.960 -0.000 0.000 0.258 123 G C 0.756 175.689 174.900 0.055 0.000 1.088 123 G CA 0.569 45.785 45.100 0.194 0.000 1.737 123 G HN 0.782 nan 8.290 nan 0.000 0.648 124 T N -2.973 111.524 114.554 -0.095 0.000 2.985 124 T HA 0.488 4.838 4.350 -0.000 0.000 0.254 124 T C 1.131 175.750 174.700 -0.135 0.000 1.021 124 T CA 0.508 62.507 62.100 -0.168 0.000 0.957 124 T CB 0.658 69.353 68.868 -0.287 0.000 1.047 124 T HN 1.539 nan 8.240 nan 0.000 0.511 125 G N 1.786 110.530 108.800 -0.094 0.000 2.721 125 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 125 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 125 G C 0.239 175.005 174.900 -0.223 0.000 1.236 125 G CA -0.255 44.766 45.100 -0.132 0.000 0.786 125 G HN 0.634 nan 8.290 nan 0.000 0.616 126 W N 1.320 122.338 121.300 -0.469 0.000 2.538 126 W HA -0.067 4.593 4.660 -0.000 0.000 0.254 126 W C 1.363 177.655 176.519 -0.379 0.000 1.249 126 W CA 1.959 58.840 57.345 -0.773 0.000 1.253 126 W CB -1.427 27.497 29.460 -0.894 0.000 1.130 126 W HN 1.030 nan 8.180 nan 0.000 0.618 127 T N -1.316 112.572 114.554 -1.110 0.000 3.067 127 T HA 0.087 4.437 4.350 -0.000 0.000 0.257 127 T C 1.176 175.336 174.700 -0.900 0.000 1.105 127 T CA 0.713 61.803 62.100 -1.683 0.000 1.104 127 T CB -0.695 67.250 68.868 -1.538 0.000 0.925 127 T HN 0.147 nan 8.240 nan 0.000 0.498 128 V N 0.778 120.409 119.914 -0.470 0.000 5.325 128 V HA -0.232 3.888 4.120 -0.000 0.000 0.291 128 V C 0.162 176.055 176.094 -0.335 0.000 0.541 128 V CA 0.213 62.344 62.300 -0.281 0.000 0.687 128 V CB -3.009 28.716 31.823 -0.163 0.000 0.491 128 V HN 0.709 nan 8.190 nan 0.000 1.145 129 Y N 1.866 121.911 120.300 -0.425 0.000 2.620 129 Y HA 0.206 4.756 4.550 -0.000 0.000 0.330 129 Y C -0.747 174.901 175.900 -0.420 0.000 1.186 129 Y CA -1.584 56.258 58.100 -0.430 0.000 1.467 129 Y CB 0.827 39.178 38.460 -0.182 0.000 1.262 129 Y HN 0.289 nan 8.280 nan 0.000 0.550 130 P HA 0.137 nan 4.420 nan 0.000 0.278 130 P C -2.395 174.863 177.300 -0.070 0.000 1.258 130 P CA -1.867 61.111 63.100 -0.203 0.000 0.811 130 P CB 0.984 32.557 31.700 -0.211 0.000 1.063 131 P HA 0.049 nan 4.420 nan 0.000 0.245 131 P C 1.511 178.834 177.300 0.039 0.000 1.206 131 P CA 0.036 63.150 63.100 0.025 0.000 0.781 131 P CB -0.128 31.602 31.700 0.049 0.000 0.994 132 L N 0.754 122.007 121.223 0.049 0.000 2.043 132 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 132 L C 2.007 178.928 176.870 0.086 0.000 1.075 132 L CA 2.206 57.105 54.840 0.098 0.000 0.752 132 L CB -1.370 40.747 42.059 0.097 0.000 0.891 132 L HN -0.025 nan 8.230 nan 0.000 0.432 133 A N -0.957 121.824 122.820 -0.066 0.000 2.208 133 A HA 0.367 4.687 4.320 -0.000 0.000 0.209 133 A C 1.458 179.008 177.584 -0.056 0.000 1.161 133 A CA 0.406 52.350 52.037 -0.155 0.000 0.782 133 A CB -1.279 17.566 19.000 -0.257 0.000 0.816 133 A HN 0.489 nan 8.150 nan 0.000 0.477 134 G N 0.202 109.002 108.800 -0.001 0.000 2.716 134 G HA2 0.194 4.154 3.960 -0.000 0.000 0.251 134 G HA3 0.194 4.154 3.960 -0.000 0.000 0.251 134 G C 0.637 175.575 174.900 0.063 0.000 1.224 134 G CA 0.209 45.330 45.100 0.034 0.000 0.891 134 G HN 0.500 nan 8.290 nan 0.000 0.561 135 N N -0.743 117.987 118.700 0.051 0.000 2.494 135 N HA -0.051 4.689 4.740 -0.000 0.000 0.182 135 N C 1.670 177.208 175.510 0.047 0.000 1.076 135 N CA 0.658 53.737 53.050 0.050 0.000 0.908 135 N CB -0.058 38.452 38.487 0.038 0.000 0.967 135 N HN 0.329 nan 8.380 nan 0.000 0.449 136 L N -0.476 120.775 121.223 0.046 0.000 2.168 136 L HA 0.412 4.752 4.340 -0.000 0.000 0.203 136 L C 1.992 178.883 176.870 0.034 0.000 1.078 136 L CA 1.156 56.017 54.840 0.036 0.000 0.780 136 L CB -0.532 41.546 42.059 0.033 0.000 0.939 136 L HN 0.183 nan 8.230 nan 0.000 0.451 137 A N -2.521 120.334 122.820 0.058 0.000 2.220 137 A HA 0.122 4.442 4.320 -0.000 0.000 0.211 137 A C 0.161 177.764 177.584 0.032 0.000 1.176 137 A CA 0.262 52.331 52.037 0.054 0.000 0.834 137 A CB -0.497 18.560 19.000 0.094 0.000 0.868 137 A HN 0.581 nan 8.150 nan 0.000 0.488 138 H N -0.578 118.501 119.070 0.015 0.000 2.597 138 H HA 0.535 5.091 4.556 -0.000 0.000 0.225 138 H C 0.170 175.507 175.328 0.015 0.000 1.422 138 H CA -0.143 55.915 56.048 0.016 0.000 1.335 138 H CB 0.440 30.208 29.762 0.010 0.000 1.783 138 H HN 0.404 nan 8.280 nan 0.000 0.513 139 A N 1.038 123.886 122.820 0.046 0.000 2.483 139 A HA 0.557 4.877 4.320 -0.000 0.000 0.238 139 A C 1.047 178.661 177.584 0.049 0.000 1.070 139 A CA 0.854 52.916 52.037 0.042 0.000 0.770 139 A CB -0.216 18.795 19.000 0.018 0.000 1.008 139 A HN 0.908 nan 8.150 nan 0.000 0.497 140 G N -0.910 107.921 108.800 0.051 0.000 2.603 140 G HA2 0.362 4.322 3.960 -0.000 0.000 0.686 140 G HA3 0.362 4.322 3.960 -0.000 0.000 0.686 140 G C 0.681 175.621 174.900 0.066 0.000 1.286 140 G CA 0.163 45.297 45.100 0.055 0.000 0.871 140 G HN 1.987 nan 8.290 nan 0.000 0.568 141 A N -0.198 122.664 122.820 0.070 0.000 2.067 141 A HA 0.244 4.564 4.320 -0.000 0.000 0.219 141 A C 2.739 180.370 177.584 0.077 0.000 1.158 141 A CA 2.698 54.782 52.037 0.079 0.000 0.661 141 A CB -0.661 18.392 19.000 0.087 0.000 0.801 141 A HN 1.588 nan 8.150 nan 0.000 0.452 142 S N -0.300 115.453 115.700 0.089 0.000 2.377 142 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 142 S C 1.907 176.544 174.600 0.061 0.000 1.042 142 S CA 1.784 60.043 58.200 0.099 0.000 1.086 142 S CB -0.614 62.673 63.200 0.146 0.000 0.995 142 S HN 0.378 nan 8.310 nan 0.000 0.428 143 V N 2.580 122.521 119.914 0.044 0.000 2.392 143 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 143 V C 2.009 178.044 176.094 -0.098 0.000 1.059 143 V CA 1.846 64.123 62.300 -0.037 0.000 1.051 143 V CB -0.725 31.060 31.823 -0.063 0.000 0.658 143 V HN 0.454 nan 8.190 nan 0.000 0.455 144 D N -0.064 120.287 120.400 -0.083 0.000 2.144 144 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 144 D C 2.152 178.351 176.300 -0.169 0.000 0.978 144 D CA 1.068 54.945 54.000 -0.205 0.000 0.833 144 D CB -0.096 40.638 40.800 -0.109 0.000 0.961 144 D HN 0.359 nan 8.370 nan 0.000 0.470 145 L N 0.776 122.022 121.223 0.039 0.000 2.046 145 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 145 L C 2.635 179.533 176.870 0.047 0.000 1.077 145 L CA 1.136 56.056 54.840 0.134 0.000 0.747 145 L CB -0.669 41.472 42.059 0.137 0.000 0.896 145 L HN -0.015 nan 8.230 nan 0.000 0.432 146 T N 0.107 114.637 114.554 -0.039 0.000 2.684 146 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 146 T C 1.902 176.443 174.700 -0.265 0.000 1.036 146 T CA 1.600 63.613 62.100 -0.144 0.000 1.148 146 T CB -0.256 68.547 68.868 -0.108 0.000 0.863 146 T HN 0.184 nan 8.240 nan 0.000 0.436 147 I N 0.227 120.623 120.570 -0.290 0.000 2.163 147 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 147 I C 2.080 178.008 176.117 -0.316 0.000 1.085 147 I CA 1.448 62.506 61.300 -0.404 0.000 1.347 147 I CB -0.429 37.279 38.000 -0.487 0.000 1.044 147 I HN 0.166 nan 8.210 nan 0.000 0.408 148 F N 0.441 120.355 119.950 -0.060 0.000 2.171 148 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 148 F C 2.947 178.748 175.800 0.001 0.000 1.090 148 F CA 1.538 59.565 58.000 0.044 0.000 1.293 148 F CB -1.187 37.848 39.000 0.059 0.000 1.013 148 F HN 0.031 nan 8.300 nan 0.000 0.486 149 S N -0.019 115.740 115.700 0.098 0.000 2.368 149 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 149 S C 2.157 176.685 174.600 -0.119 0.000 1.029 149 S CA 0.956 59.177 58.200 0.035 0.000 0.988 149 S CB -0.366 62.837 63.200 0.006 0.000 0.838 149 S HN 0.336 nan 8.310 nan 0.000 0.462 150 L N 0.099 121.127 121.223 -0.326 0.000 2.141 150 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 150 L C 2.379 179.096 176.870 -0.256 0.000 1.094 150 L CA 1.383 55.924 54.840 -0.498 0.000 0.763 150 L CB -0.579 41.103 42.059 -0.628 0.000 0.908 150 L HN 0.458 nan 8.230 nan 0.000 0.437 151 H N -0.445 118.558 119.070 -0.112 0.000 2.321 151 H HA -0.136 4.420 4.556 -0.000 0.000 0.300 151 H C 2.342 177.661 175.328 -0.015 0.000 1.087 151 H CA 1.227 57.254 56.048 -0.034 0.000 1.319 151 H CB 0.182 29.990 29.762 0.076 0.000 1.379 151 H HN 0.188 nan 8.280 nan 0.000 0.501 152 L N -0.104 121.205 121.223 0.144 0.000 2.056 152 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 152 L C 2.871 179.785 176.870 0.075 0.000 1.078 152 L CA 0.801 55.696 54.840 0.092 0.000 0.749 152 L CB -0.613 41.500 42.059 0.089 0.000 0.901 152 L HN 0.343 nan 8.230 nan 0.000 0.433 153 A N 0.554 123.408 122.820 0.057 0.000 1.948 153 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 153 A C 2.376 180.007 177.584 0.080 0.000 1.177 153 A CA 1.922 54.002 52.037 0.072 0.000 0.636 153 A CB -1.147 17.817 19.000 -0.060 0.000 0.815 153 A HN 0.470 nan 8.150 nan 0.000 0.449 154 G N -0.867 107.948 108.800 0.026 0.000 2.394 154 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.215 154 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.215 154 G C 1.495 176.438 174.900 0.071 0.000 1.165 154 G CA 1.075 46.200 45.100 0.042 0.000 0.784 154 G HN 0.309 nan 8.290 nan 0.000 0.535 155 V N 1.001 120.954 119.914 0.066 0.000 2.343 155 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 155 V C 3.067 179.204 176.094 0.070 0.000 1.051 155 V CA 2.218 64.551 62.300 0.055 0.000 1.036 155 V CB -0.306 31.538 31.823 0.035 0.000 0.654 155 V HN 0.504 nan 8.190 nan 0.000 0.451 156 S N -0.183 115.567 115.700 0.083 0.000 2.353 156 S HA -0.226 4.244 4.470 -0.000 0.000 0.222 156 S C 2.217 176.902 174.600 0.142 0.000 1.035 156 S CA 2.303 60.566 58.200 0.105 0.000 1.025 156 S CB -0.355 62.904 63.200 0.098 0.000 0.902 156 S HN 0.595 nan 8.310 nan 0.000 0.440 157 S N 1.064 116.855 115.700 0.151 0.000 2.383 157 S HA 0.059 4.529 4.470 -0.000 0.000 0.227 157 S C 1.757 176.445 174.600 0.147 0.000 1.026 157 S CA 1.339 59.638 58.200 0.164 0.000 0.981 157 S CB -0.443 62.861 63.200 0.174 0.000 0.818 157 S HN 0.536 nan 8.310 nan 0.000 0.472 158 I N 1.332 121.974 120.570 0.120 0.000 2.202 158 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 158 I C 2.027 178.203 176.117 0.099 0.000 1.091 158 I CA 1.061 62.424 61.300 0.105 0.000 1.368 158 I CB -0.315 37.730 38.000 0.077 0.000 1.058 158 I HN 0.230 nan 8.210 nan 0.000 0.410 159 L N 0.221 121.495 121.223 0.086 0.000 2.083 159 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 159 L C 2.681 179.612 176.870 0.103 0.000 1.083 159 L CA 1.511 56.394 54.840 0.072 0.000 0.752 159 L CB -1.269 40.821 42.059 0.052 0.000 0.899 159 L HN 0.344 nan 8.230 nan 0.000 0.433 160 G N -0.192 108.690 108.800 0.137 0.000 2.440 160 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 160 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 160 G C 1.774 176.816 174.900 0.236 0.000 1.154 160 G CA 0.883 46.084 45.100 0.168 0.000 0.767 160 G HN 0.474 nan 8.290 nan 0.000 0.552 161 A N 0.745 123.696 122.820 0.218 0.000 1.898 161 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 161 A C 2.395 180.091 177.584 0.187 0.000 1.181 161 A CA 1.267 53.437 52.037 0.221 0.000 0.620 161 A CB -0.346 18.753 19.000 0.164 0.000 0.819 161 A HN 0.371 nan 8.150 nan 0.000 0.442 162 I N -0.044 120.616 120.570 0.150 0.000 2.208 162 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 162 I C 2.465 178.705 176.117 0.205 0.000 1.097 162 I CA 1.276 62.670 61.300 0.157 0.000 1.363 162 I CB -0.432 37.638 38.000 0.116 0.000 1.051 162 I HN 0.342 nan 8.210 nan 0.000 0.413 163 N N 0.987 119.786 118.700 0.165 0.000 2.058 163 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 163 N C 1.940 177.376 175.510 -0.123 0.000 1.037 163 N CA 1.740 54.820 53.050 0.050 0.000 0.848 163 N CB -0.315 38.110 38.487 -0.102 0.000 1.021 163 N HN 0.222 nan 8.380 nan 0.000 0.422 164 F N 1.193 121.141 119.950 -0.003 0.000 2.095 164 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 164 F C 2.372 178.126 175.800 -0.077 0.000 1.104 164 F CA 0.764 58.728 58.000 -0.061 0.000 1.232 164 F CB -0.273 38.689 39.000 -0.064 0.000 0.987 164 F HN 0.019 nan 8.300 nan 0.000 0.475 165 I N -0.569 120.087 120.570 0.144 0.000 2.226 165 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 165 I C 2.248 178.362 176.117 -0.005 0.000 1.100 165 I CA 1.583 62.916 61.300 0.056 0.000 1.374 165 I CB -0.825 37.215 38.000 0.068 0.000 1.057 165 I HN 0.133 nan 8.210 nan 0.000 0.413 166 T N -0.188 114.361 114.554 -0.009 0.000 2.737 166 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 166 T C 1.939 176.535 174.700 -0.173 0.000 1.038 166 T CA 2.031 64.080 62.100 -0.084 0.000 1.144 166 T CB -0.497 68.309 68.868 -0.104 0.000 0.866 166 T HN 0.347 nan 8.240 nan 0.000 0.434 167 T N 2.287 116.716 114.554 -0.208 0.000 2.684 167 T HA -0.021 4.329 4.350 -0.000 0.000 0.267 167 T C 1.966 176.571 174.700 -0.157 0.000 1.036 167 T CA 1.104 63.075 62.100 -0.216 0.000 1.148 167 T CB -0.436 68.296 68.868 -0.227 0.000 0.863 167 T HN 0.336 nan 8.240 nan 0.000 0.436 168 I N 0.349 120.849 120.570 -0.116 0.000 2.500 168 I HA -0.075 4.095 4.170 -0.000 0.000 0.252 168 I C 1.874 177.882 176.117 -0.183 0.000 1.142 168 I CA 0.567 61.779 61.300 -0.148 0.000 1.451 168 I CB -0.226 37.682 38.000 -0.153 0.000 1.093 168 I HN 0.184 nan 8.210 nan 0.000 0.430 169 I N 0.648 121.126 120.570 -0.152 0.000 2.277 169 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 169 I C 2.141 178.180 176.117 -0.131 0.000 1.094 169 I CA 1.548 62.761 61.300 -0.144 0.000 1.393 169 I CB -1.510 36.429 38.000 -0.101 0.000 1.078 169 I HN 0.254 nan 8.210 nan 0.000 0.417 170 N N 0.169 118.791 118.700 -0.130 0.000 2.405 170 N HA 0.064 4.804 4.740 -0.000 0.000 0.175 170 N C 1.111 176.543 175.510 -0.131 0.000 1.051 170 N CA 0.557 53.534 53.050 -0.122 0.000 0.899 170 N CB 0.197 38.606 38.487 -0.129 0.000 1.000 170 N HN 0.175 nan 8.380 nan 0.000 0.451 171 M N 0.071 119.581 119.600 -0.149 0.000 2.778 171 M HA 0.225 4.705 4.480 -0.000 0.000 0.359 171 M C -0.539 175.672 176.300 -0.149 0.000 1.216 171 M CA -0.195 55.015 55.300 -0.150 0.000 0.935 171 M CB 0.754 33.250 32.600 -0.173 0.000 1.330 171 M HN -0.156 nan 8.290 nan 0.000 0.516 172 K N 1.145 121.461 120.400 -0.139 0.000 2.087 172 K HA 0.474 4.794 4.320 -0.000 0.000 0.255 172 K C -2.418 174.109 176.600 -0.121 0.000 0.988 172 K CA -1.685 54.519 56.287 -0.138 0.000 0.915 172 K CB 0.496 32.916 32.500 -0.134 0.000 1.043 172 K HN -0.119 nan 8.250 nan 0.000 0.457 173 P HA -0.015 nan 4.420 nan 0.000 0.267 173 P C -2.159 175.088 177.300 -0.089 0.000 1.200 173 P CA -0.903 62.137 63.100 -0.100 0.000 0.772 173 P CB 0.106 31.750 31.700 -0.093 0.000 0.855 174 P HA -0.162 nan 4.420 nan 0.000 0.219 174 P C 0.951 178.207 177.300 -0.073 0.000 1.146 174 P CA 1.563 64.618 63.100 -0.075 0.000 0.808 174 P CB -0.207 31.451 31.700 -0.070 0.000 0.779 175 A N -1.265 121.505 122.820 -0.083 0.000 2.132 175 A HA 0.082 4.402 4.320 -0.000 0.000 0.213 175 A C 1.272 178.825 177.584 -0.051 0.000 1.154 175 A CA -0.005 51.989 52.037 -0.071 0.000 0.753 175 A CB -0.930 18.013 19.000 -0.094 0.000 0.826 175 A HN 0.194 nan 8.150 nan 0.000 0.469 176 M N 2.089 121.655 119.600 -0.057 0.000 2.143 176 M HA 0.306 4.786 4.480 -0.000 0.000 0.348 176 M C 0.440 176.710 176.300 -0.050 0.000 1.375 176 M CA -0.195 55.079 55.300 -0.043 0.000 1.124 176 M CB 0.565 33.134 32.600 -0.051 0.000 1.669 176 M HN 0.385 nan 8.290 nan 0.000 0.469 177 S N 3.431 119.117 115.700 -0.024 0.000 2.634 177 S HA 0.122 4.592 4.470 -0.000 0.000 0.261 177 S C 0.690 175.230 174.600 -0.101 0.000 1.271 177 S CA -0.383 57.785 58.200 -0.054 0.000 0.985 177 S CB 1.230 64.439 63.200 0.015 0.000 0.968 177 S HN 0.858 nan 8.310 nan 0.000 0.568 178 Q N -0.399 119.247 119.800 -0.256 0.000 2.291 178 Q HA 0.026 4.366 4.340 -0.000 0.000 0.206 178 Q C 0.549 176.553 176.000 0.007 0.000 0.976 178 Q CA 1.613 57.205 55.803 -0.352 0.000 0.875 178 Q CB -0.551 27.849 28.738 -0.563 0.000 0.927 178 Q HN 0.840 nan 8.270 nan 0.000 0.450 179 Y N -0.672 119.855 120.300 0.378 0.000 2.462 179 Y HA 0.195 4.745 4.550 -0.000 0.000 0.293 179 Y C 0.643 176.712 175.900 0.282 0.000 1.195 179 Y CA 0.208 58.622 58.100 0.524 0.000 1.276 179 Y CB 0.165 38.837 38.460 0.354 0.000 1.082 179 Y HN 0.140 nan 8.280 nan 0.000 0.514 180 Q N -0.604 119.361 119.800 0.275 0.000 2.118 180 Q HA 0.130 4.470 4.340 -0.000 0.000 0.219 180 Q C 0.260 176.342 176.000 0.138 0.000 0.794 180 Q CA -0.165 55.699 55.803 0.102 0.000 1.035 180 Q CB 0.907 29.671 28.738 0.043 0.000 1.177 180 Q HN 0.262 nan 8.270 nan 0.000 0.478 181 T N -1.926 112.780 114.554 0.253 0.000 2.907 181 T HA 0.580 4.930 4.350 -0.000 0.000 0.284 181 T C -2.582 172.386 174.700 0.447 0.000 1.004 181 T CA -2.208 60.006 62.100 0.191 0.000 1.063 181 T CB 1.547 70.374 68.868 -0.069 0.000 0.992 181 T HN -0.232 nan 8.240 nan 0.000 0.483 182 P HA 0.254 nan 4.420 nan 0.000 0.272 182 P C 0.966 178.668 177.300 0.671 0.000 1.240 182 P CA -0.647 62.788 63.100 0.557 0.000 0.791 182 P CB 0.513 32.557 31.700 0.574 0.000 0.978 183 L N 0.022 121.667 121.223 0.704 0.000 2.141 183 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 183 L C 2.165 179.372 176.870 0.562 0.000 1.094 183 L CA 1.309 56.495 54.840 0.576 0.000 0.763 183 L CB -0.611 41.706 42.059 0.429 0.000 0.908 183 L HN 0.361 nan 8.230 nan 0.000 0.437 184 F N 0.409 120.650 119.950 0.486 0.000 2.171 184 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 184 F C 2.194 178.062 175.800 0.113 0.000 1.090 184 F CA 1.385 59.461 58.000 0.127 0.000 1.293 184 F CB -0.230 38.600 39.000 -0.283 0.000 1.013 184 F HN -0.248 nan 8.300 nan 0.000 0.486 185 V N -1.041 118.940 119.914 0.112 0.000 2.358 185 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 185 V C 2.103 178.131 176.094 -0.110 0.000 1.047 185 V CA 2.001 64.249 62.300 -0.086 0.000 1.035 185 V CB -1.075 30.750 31.823 0.002 0.000 0.658 185 V HN 0.500 nan 8.190 nan 0.000 0.452 186 W N 0.905 122.197 121.300 -0.013 0.000 2.338 186 W HA -0.249 4.411 4.660 -0.000 0.000 0.304 186 W C 3.032 179.506 176.519 -0.075 0.000 1.212 186 W CA 2.013 59.346 57.345 -0.020 0.000 1.264 186 W CB -0.397 29.073 29.460 0.018 0.000 1.142 186 W HN 0.380 nan 8.180 nan 0.000 0.512 187 S N -0.537 115.255 115.700 0.154 0.000 2.382 187 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 187 S C 1.697 176.203 174.600 -0.158 0.000 1.027 187 S CA 1.571 59.790 58.200 0.033 0.000 0.991 187 S CB -0.988 62.242 63.200 0.051 0.000 0.823 187 S HN 0.059 nan 8.310 nan 0.000 0.469 188 V N 1.839 121.508 119.914 -0.407 0.000 2.453 188 V HA -0.082 4.038 4.120 -0.000 0.000 0.247 188 V C 2.603 178.521 176.094 -0.293 0.000 1.048 188 V CA 2.061 64.047 62.300 -0.524 0.000 1.049 188 V CB -0.736 30.565 31.823 -0.870 0.000 0.672 188 V HN 0.594 nan 8.190 nan 0.000 0.457 189 M N -0.309 119.192 119.600 -0.164 0.000 2.099 189 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 189 M C 2.092 178.411 176.300 0.031 0.000 1.067 189 M CA 2.100 57.367 55.300 -0.055 0.000 1.124 189 M CB -0.224 32.330 32.600 -0.077 0.000 1.353 189 M HN 0.233 nan 8.290 nan 0.000 0.410 190 I N -0.288 120.338 120.570 0.093 0.000 2.226 190 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 190 I C 2.138 178.310 176.117 0.092 0.000 1.100 190 I CA 1.651 63.032 61.300 0.136 0.000 1.374 190 I CB -0.802 37.305 38.000 0.178 0.000 1.057 190 I HN 0.350 nan 8.210 nan 0.000 0.413 191 T N 0.720 115.288 114.554 0.023 0.000 2.759 191 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 191 T C 2.037 176.755 174.700 0.029 0.000 1.042 191 T CA 1.472 63.573 62.100 0.001 0.000 1.140 191 T CB -0.316 68.501 68.868 -0.084 0.000 0.864 191 T HN 0.497 nan 8.240 nan 0.000 0.455 192 A N 0.885 123.714 122.820 0.015 0.000 1.898 192 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 192 A C 2.578 180.230 177.584 0.113 0.000 1.181 192 A CA 1.103 53.182 52.037 0.070 0.000 0.620 192 A CB -0.900 18.155 19.000 0.092 0.000 0.819 192 A HN 0.354 nan 8.150 nan 0.000 0.442 193 V N 0.605 120.588 119.914 0.117 0.000 2.343 193 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 193 V C 2.560 178.777 176.094 0.205 0.000 1.051 193 V CA 1.915 64.300 62.300 0.141 0.000 1.036 193 V CB -0.847 31.058 31.823 0.136 0.000 0.654 193 V HN 0.574 nan 8.190 nan 0.000 0.451 194 L N -0.780 120.587 121.223 0.240 0.000 2.042 194 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 194 L C 2.465 179.502 176.870 0.279 0.000 1.076 194 L CA 1.602 56.642 54.840 0.332 0.000 0.749 194 L CB -0.746 41.422 42.059 0.182 0.000 0.893 194 L HN 0.305 nan 8.230 nan 0.000 0.432 195 L N -0.473 120.863 121.223 0.189 0.000 2.046 195 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 195 L C 2.620 179.610 176.870 0.199 0.000 1.077 195 L CA 0.935 55.888 54.840 0.189 0.000 0.747 195 L CB -0.420 41.729 42.059 0.150 0.000 0.896 195 L HN 0.234 nan 8.230 nan 0.000 0.432 196 L N -0.496 120.833 121.223 0.177 0.000 2.083 196 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 196 L C 2.208 179.173 176.870 0.157 0.000 1.083 196 L CA 1.706 56.633 54.840 0.146 0.000 0.752 196 L CB -0.158 41.973 42.059 0.120 0.000 0.899 196 L HN 0.129 nan 8.230 nan 0.000 0.433 197 L N -1.527 119.822 121.223 0.211 0.000 2.249 197 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 197 L C 2.535 179.628 176.870 0.371 0.000 1.090 197 L CA 0.989 55.965 54.840 0.226 0.000 0.802 197 L CB -0.545 41.577 42.059 0.105 0.000 0.947 197 L HN 0.429 nan 8.230 nan 0.000 0.453 198 S N -0.233 115.738 115.700 0.451 0.000 2.404 198 S HA -0.038 4.432 4.470 -0.000 0.000 0.223 198 S C 1.950 176.765 174.600 0.359 0.000 1.040 198 S CA 0.268 58.752 58.200 0.473 0.000 0.957 198 S CB -0.550 62.859 63.200 0.350 0.000 0.826 198 S HN 0.252 nan 8.310 nan 0.000 0.491 199 L N 1.844 123.226 121.223 0.265 0.000 2.083 199 L HA 0.024 4.364 4.340 -0.000 0.000 0.209 199 L C -0.759 176.105 176.870 -0.009 0.000 1.083 199 L CA 1.161 56.039 54.840 0.062 0.000 0.752 199 L CB -1.293 40.816 42.059 0.082 0.000 0.899 199 L HN 0.268 nan 8.230 nan 0.000 0.433 200 P HA -0.154 nan 4.420 nan 0.000 0.216 200 P C 1.799 179.090 177.300 -0.016 0.000 1.150 200 P CA 1.191 64.303 63.100 0.020 0.000 0.837 200 P CB 0.086 31.810 31.700 0.039 0.000 0.786 201 V N -0.710 119.208 119.914 0.006 0.000 2.379 201 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 201 V C 2.344 178.372 176.094 -0.110 0.000 1.044 201 V CA 1.317 63.582 62.300 -0.058 0.000 1.036 201 V CB -1.256 30.550 31.823 -0.028 0.000 0.664 201 V HN 0.059 nan 8.190 nan 0.000 0.453 202 L N 1.270 122.396 121.223 -0.161 0.000 2.012 202 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 202 L C 2.507 179.237 176.870 -0.234 0.000 1.073 202 L CA 2.447 57.081 54.840 -0.344 0.000 0.748 202 L CB -0.987 40.591 42.059 -0.801 0.000 0.891 202 L HN 0.213 nan 8.230 nan 0.000 0.431 203 A N -0.235 122.490 122.820 -0.157 0.000 1.873 203 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 203 A C 2.501 180.087 177.584 0.002 0.000 1.193 203 A CA 2.556 54.576 52.037 -0.028 0.000 0.629 203 A CB -1.477 17.562 19.000 0.066 0.000 0.826 203 A HN 0.657 nan 8.150 nan 0.000 0.447 204 A N -0.705 122.091 122.820 -0.041 0.000 1.873 204 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 204 A C 2.508 180.051 177.584 -0.068 0.000 1.193 204 A CA 2.417 54.415 52.037 -0.064 0.000 0.629 204 A CB -1.594 17.347 19.000 -0.099 0.000 0.826 204 A HN 0.910 nan 8.150 nan 0.000 0.447 205 G N 0.408 109.171 108.800 -0.061 0.000 2.418 205 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 205 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 205 G C 1.495 176.496 174.900 0.168 0.000 1.158 205 G CA 1.237 46.360 45.100 0.038 0.000 0.771 205 G HN 0.901 nan 8.290 nan 0.000 0.545 206 I N -1.806 118.793 120.570 0.049 0.000 2.928 206 I HA 0.073 4.243 4.170 -0.000 0.000 0.266 206 I C 2.244 178.354 176.117 -0.011 0.000 1.234 206 I CA 1.280 62.588 61.300 0.014 0.000 1.483 206 I CB -0.443 37.441 38.000 -0.192 0.000 1.097 206 I HN -0.096 nan 8.210 nan 0.000 0.455 207 T N 1.539 116.115 114.554 0.037 0.000 2.851 207 T HA 0.045 4.395 4.350 -0.000 0.000 0.262 207 T C 1.925 176.640 174.700 0.025 0.000 1.043 207 T CA 1.596 63.747 62.100 0.086 0.000 1.140 207 T CB -0.187 68.748 68.868 0.113 0.000 0.872 207 T HN 0.303 nan 8.240 nan 0.000 0.446 208 M N 0.585 120.131 119.600 -0.090 0.000 2.108 208 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 208 M C 2.270 178.632 176.300 0.103 0.000 1.066 208 M CA 1.334 56.464 55.300 -0.284 0.000 1.107 208 M CB -0.539 31.484 32.600 -0.962 0.000 1.356 208 M HN 0.155 nan 8.290 nan 0.000 0.406 209 L N 0.525 121.934 121.223 0.309 0.000 2.046 209 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 209 L C 2.190 179.123 176.870 0.105 0.000 1.077 209 L CA 1.589 56.605 54.840 0.294 0.000 0.747 209 L CB -0.668 41.466 42.059 0.126 0.000 0.896 209 L HN 0.222 nan 8.230 nan 0.000 0.432 210 L N -0.760 120.485 121.223 0.037 0.000 2.083 210 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 210 L C 2.538 179.438 176.870 0.050 0.000 1.083 210 L CA 2.322 57.154 54.840 -0.013 0.000 0.752 210 L CB -0.787 41.231 42.059 -0.068 0.000 0.899 210 L HN 0.617 nan 8.230 nan 0.000 0.433 211 T N -4.856 109.759 114.554 0.103 0.000 2.904 211 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 211 T C 1.634 176.394 174.700 0.100 0.000 1.059 211 T CA 1.108 63.281 62.100 0.123 0.000 1.137 211 T CB -0.554 68.428 68.868 0.190 0.000 0.879 211 T HN 0.254 nan 8.240 nan 0.000 0.467 212 D N 1.470 121.945 120.400 0.125 0.000 2.144 212 D HA 0.001 4.641 4.640 -0.000 0.000 0.199 212 D C 2.433 178.765 176.300 0.054 0.000 0.984 212 D CA 0.920 54.966 54.000 0.077 0.000 0.834 212 D CB -0.173 40.699 40.800 0.119 0.000 0.955 212 D HN 0.443 nan 8.370 nan 0.000 0.465 213 R N -0.286 120.246 120.500 0.054 0.000 2.193 213 R HA 0.151 4.491 4.340 -0.000 0.000 0.213 213 R C 0.996 177.316 176.300 0.033 0.000 1.055 213 R CA 0.675 56.796 56.100 0.035 0.000 0.995 213 R CB 0.210 30.519 30.300 0.016 0.000 0.893 213 R HN 0.183 nan 8.270 nan 0.000 0.459 214 N N -1.024 117.699 118.700 0.038 0.000 2.113 214 N HA 0.120 4.860 4.740 -0.000 0.000 0.223 214 N C 0.535 176.069 175.510 0.039 0.000 1.310 214 N CA 0.184 53.259 53.050 0.042 0.000 0.896 214 N CB 1.260 39.780 38.487 0.055 0.000 1.097 214 N HN 0.090 nan 8.380 nan 0.000 0.507 215 L N 0.658 121.902 121.223 0.034 0.000 3.184 215 L HA 0.276 4.616 4.340 -0.000 0.000 0.283 215 L C -0.244 176.625 176.870 -0.002 0.000 1.218 215 L CA 0.015 54.870 54.840 0.023 0.000 1.028 215 L CB 0.192 42.274 42.059 0.037 0.000 1.400 215 L HN -0.035 nan 8.230 nan 0.000 0.591 216 N N 1.119 119.815 118.700 -0.007 0.000 2.735 216 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 216 N C 0.445 175.909 175.510 -0.077 0.000 1.083 216 N CA 1.273 54.305 53.050 -0.031 0.000 0.703 216 N CB -1.304 37.167 38.487 -0.027 0.000 1.005 216 N HN 0.507 nan 8.380 nan 0.000 0.550 217 T N -2.385 112.113 114.554 -0.094 0.000 2.816 217 T HA 0.523 4.873 4.350 -0.000 0.000 0.282 217 T C 1.189 175.749 174.700 -0.233 0.000 0.993 217 T CA 0.183 62.139 62.100 -0.240 0.000 0.994 217 T CB 1.646 70.326 68.868 -0.313 0.000 1.025 217 T HN 0.254 nan 8.240 nan 0.000 0.529 218 T N -1.789 112.530 114.554 -0.392 0.000 3.823 218 T HA 0.325 4.675 4.350 -0.000 0.000 0.261 218 T C 0.542 175.063 174.700 -0.297 0.000 0.983 218 T CA -0.666 61.289 62.100 -0.242 0.000 1.151 218 T CB -0.969 67.804 68.868 -0.159 0.000 1.062 218 T HN 0.453 nan 8.240 nan 0.000 0.542 219 F N 0.746 120.481 119.950 -0.360 0.000 2.161 219 F HA 0.121 4.649 4.527 -0.000 0.000 0.300 219 F C 1.203 176.718 175.800 -0.475 0.000 1.089 219 F CA 1.103 58.746 58.000 -0.595 0.000 1.282 219 F CB -0.262 38.037 39.000 -1.168 0.000 1.010 219 F HN 0.362 nan 8.300 nan 0.000 0.485 220 F N -1.482 118.591 119.950 0.205 0.000 2.698 220 F HA 0.235 4.762 4.527 -0.000 0.000 0.304 220 F C -0.092 175.745 175.800 0.061 0.000 1.108 220 F CA -0.924 57.149 58.000 0.121 0.000 1.263 220 F CB -0.159 38.894 39.000 0.089 0.000 1.013 220 F HN -0.262 nan 8.300 nan 0.000 0.532 221 D N 1.248 121.728 120.400 0.133 0.000 2.453 221 D HA 0.294 4.934 4.640 -0.000 0.000 0.238 221 D C -2.058 174.269 176.300 0.046 0.000 1.088 221 D CA -2.532 51.514 54.000 0.077 0.000 0.854 221 D CB 2.115 42.938 40.800 0.039 0.000 1.076 221 D HN -0.130 nan 8.370 nan 0.000 0.533 222 P HA -0.159 nan 4.420 nan 0.000 0.216 222 P C 1.098 178.412 177.300 0.022 0.000 1.150 222 P CA 1.539 64.665 63.100 0.044 0.000 0.843 222 P CB 0.221 31.950 31.700 0.048 0.000 0.787 223 A N -0.474 122.356 122.820 0.017 0.000 2.024 223 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 223 A C 2.263 179.841 177.584 -0.010 0.000 1.164 223 A CA 2.002 54.042 52.037 0.006 0.000 0.643 223 A CB -1.636 17.368 19.000 0.006 0.000 0.806 223 A HN 0.338 nan 8.150 nan 0.000 0.451 224 G N -2.692 106.095 108.800 -0.022 0.000 3.088 224 G HA2 0.396 4.356 3.960 -0.000 0.000 0.217 224 G HA3 0.396 4.356 3.960 -0.000 0.000 0.217 224 G C 1.026 175.899 174.900 -0.044 0.000 1.159 224 G CA 0.497 45.569 45.100 -0.047 0.000 0.760 224 G HN 1.618 nan 8.290 nan 0.000 0.550 225 G N -1.117 107.674 108.800 -0.016 0.000 2.144 225 G HA2 0.010 3.970 3.960 -0.000 0.000 0.218 225 G HA3 0.010 3.970 3.960 -0.000 0.000 0.218 225 G C 0.779 175.687 174.900 0.012 0.000 0.988 225 G CA 0.166 45.264 45.100 -0.002 0.000 0.659 225 G HN 0.933 nan 8.290 nan 0.000 0.522 226 G N -0.831 107.977 108.800 0.012 0.000 2.553 226 G HA2 0.505 4.465 3.960 -0.000 0.000 0.278 226 G HA3 0.505 4.465 3.960 -0.000 0.000 0.278 226 G C -0.625 174.345 174.900 0.117 0.000 1.349 226 G CA 0.606 45.738 45.100 0.053 0.000 1.037 226 G HN 0.577 nan 8.290 nan 0.000 0.508 227 D N -1.766 118.758 120.400 0.207 0.000 2.591 227 D HA 0.301 4.941 4.640 -0.000 0.000 0.222 227 D C -2.132 174.337 176.300 0.282 0.000 1.360 227 D CA -1.364 52.762 54.000 0.209 0.000 0.967 227 D CB 1.976 42.890 40.800 0.190 0.000 1.456 227 D HN -0.048 nan 8.370 nan 0.000 0.588 228 P HA -0.054 nan 4.420 nan 0.000 0.219 228 P C 1.556 178.834 177.300 -0.036 0.000 1.146 228 P CA 0.450 63.594 63.100 0.073 0.000 0.808 228 P CB 0.324 32.034 31.700 0.017 0.000 0.779 229 I N -1.383 119.193 120.570 0.012 0.000 2.546 229 I HA -0.124 4.046 4.170 -0.000 0.000 0.255 229 I C 2.105 178.225 176.117 0.004 0.000 1.163 229 I CA 0.889 62.155 61.300 -0.057 0.000 1.457 229 I CB -1.536 36.462 38.000 -0.003 0.000 1.092 229 I HN 0.011 nan 8.210 nan 0.000 0.434 230 L N 0.805 122.144 121.223 0.195 0.000 2.042 230 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 230 L C 2.637 179.591 176.870 0.139 0.000 1.076 230 L CA 1.839 56.863 54.840 0.306 0.000 0.749 230 L CB -1.156 41.164 42.059 0.436 0.000 0.893 230 L HN 0.242 nan 8.230 nan 0.000 0.432 231 Y N 0.203 120.326 120.300 -0.295 0.000 2.114 231 Y HA -0.349 4.201 4.550 -0.000 0.000 0.282 231 Y C 2.566 178.249 175.900 -0.362 0.000 1.165 231 Y CA 2.349 59.997 58.100 -0.755 0.000 1.148 231 Y CB -0.208 37.434 38.460 -1.363 0.000 0.972 231 Y HN 0.401 nan 8.280 nan 0.000 0.504 232 Q N -1.052 118.536 119.800 -0.352 0.000 2.061 232 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 232 Q C 2.066 178.038 176.000 -0.047 0.000 0.984 232 Q CA 1.603 57.236 55.803 -0.283 0.000 0.846 232 Q CB -0.456 28.091 28.738 -0.319 0.000 0.902 232 Q HN 0.637 nan 8.270 nan 0.000 0.421 233 H N 0.756 119.869 119.070 0.072 0.000 2.319 233 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 233 H C 2.274 177.533 175.328 -0.115 0.000 1.092 233 H CA 1.236 57.362 56.048 0.130 0.000 1.302 233 H CB -0.342 29.516 29.762 0.160 0.000 1.373 233 H HN 0.211 nan 8.280 nan 0.000 0.497 234 L N -0.564 120.612 121.223 -0.079 0.000 2.046 234 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 234 L C 2.565 179.272 176.870 -0.271 0.000 1.077 234 L CA 1.194 55.911 54.840 -0.205 0.000 0.747 234 L CB -0.536 41.398 42.059 -0.207 0.000 0.896 234 L HN 0.115 nan 8.230 nan 0.000 0.432 235 F N -0.380 119.193 119.950 -0.629 0.000 2.113 235 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 235 F C 2.059 177.559 175.800 -0.501 0.000 1.103 235 F CA 1.445 59.018 58.000 -0.711 0.000 1.248 235 F CB -0.382 37.953 39.000 -1.107 0.000 0.999 235 F HN -0.039 nan 8.300 nan 0.000 0.475 236 W N -1.203 120.104 121.300 0.013 0.000 2.519 236 W HA -0.116 4.544 4.660 -0.000 0.000 0.266 236 W C 2.209 178.693 176.519 -0.058 0.000 1.253 236 W CA 0.517 57.871 57.345 0.014 0.000 1.274 236 W CB -0.571 29.037 29.460 0.247 0.000 1.114 236 W HN 0.083 nan 8.180 nan 0.000 0.596 237 F N -0.178 119.664 119.950 -0.180 0.000 2.216 237 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 237 F C 2.097 177.812 175.800 -0.140 0.000 1.085 237 F CA 1.546 59.355 58.000 -0.317 0.000 1.326 237 F CB -0.534 38.121 39.000 -0.576 0.000 1.027 237 F HN -0.033 nan 8.300 nan 0.000 0.497 238 F N 0.106 119.968 119.950 -0.147 0.000 2.317 238 F HA 0.237 4.764 4.527 -0.000 0.000 0.293 238 F C 2.219 177.812 175.800 -0.345 0.000 1.085 238 F CA 1.265 59.114 58.000 -0.251 0.000 1.390 238 F CB -1.132 37.665 39.000 -0.339 0.000 1.077 238 F HN -0.116 nan 8.300 nan 0.000 0.517 239 G N -0.458 107.802 108.800 -0.899 0.000 2.440 239 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 239 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 239 G C 1.454 176.186 174.900 -0.280 0.000 1.154 239 G CA 1.358 45.941 45.100 -0.861 0.000 0.767 239 G HN 0.545 nan 8.290 nan 0.000 0.552 240 H N 1.749 120.826 119.070 0.013 0.000 2.261 240 H HA 0.001 4.557 4.556 -0.000 0.000 0.301 240 H C 0.230 175.512 175.328 -0.077 0.000 1.067 240 H CA 1.805 57.909 56.048 0.094 0.000 1.297 240 H CB -0.679 29.235 29.762 0.254 0.000 1.377 240 H HN 0.236 nan 8.280 nan 0.000 0.492 241 P HA -0.199 nan 4.420 nan 0.000 0.217 241 P C 1.176 178.230 177.300 -0.410 0.000 1.151 241 P CA 2.148 64.980 63.100 -0.446 0.000 0.849 241 P CB -0.028 31.130 31.700 -0.903 0.000 0.787 242 E N 0.031 119.840 120.200 -0.652 0.000 2.160 242 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 242 E C 1.639 177.957 176.600 -0.470 0.000 0.991 242 E CA 1.541 57.567 56.400 -0.624 0.000 0.810 242 E CB -1.091 27.961 29.700 -1.079 0.000 0.742 242 E HN 0.182 nan 8.360 nan 0.000 0.466 243 V N -1.502 118.082 119.914 -0.550 0.000 2.719 243 V HA -0.095 4.025 4.120 -0.000 0.000 0.252 243 V C 1.775 177.487 176.094 -0.636 0.000 1.065 243 V CA 1.272 63.219 62.300 -0.588 0.000 1.086 243 V CB -1.050 30.401 31.823 -0.621 0.000 0.700 243 V HN 0.207 nan 8.190 nan 0.000 0.467 244 Y N 0.671 120.773 120.300 -0.331 0.000 2.314 244 Y HA 0.121 4.671 4.550 -0.000 0.000 0.293 244 Y C 2.362 178.137 175.900 -0.208 0.000 1.129 244 Y CA 1.628 59.602 58.100 -0.210 0.000 1.201 244 Y CB -0.552 37.838 38.460 -0.117 0.000 0.999 244 Y HN 0.188 nan 8.280 nan 0.000 0.541 245 I N -0.375 120.121 120.570 -0.123 0.000 2.286 245 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 245 I C 1.931 177.948 176.117 -0.166 0.000 1.115 245 I CA 1.356 62.584 61.300 -0.121 0.000 1.392 245 I CB -0.385 37.543 38.000 -0.120 0.000 1.065 245 I HN 0.226 nan 8.210 nan 0.000 0.418 246 L N -0.434 120.648 121.223 -0.236 0.000 2.217 246 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 246 L C 2.274 179.018 176.870 -0.210 0.000 1.107 246 L CA 0.849 55.551 54.840 -0.231 0.000 0.783 246 L CB -0.132 41.748 42.059 -0.297 0.000 0.919 246 L HN 0.258 nan 8.230 nan 0.000 0.442 247 I N -1.169 119.233 120.570 -0.280 0.000 3.526 247 I HA -0.040 4.130 4.170 -0.000 0.000 0.294 247 I C 1.975 177.749 176.117 -0.572 0.000 1.229 247 I CA 0.794 61.850 61.300 -0.407 0.000 1.408 247 I CB 0.233 37.923 38.000 -0.516 0.000 1.127 247 I HN 0.009 nan 8.210 nan 0.000 0.439 248 L N 1.202 122.206 121.223 -0.366 0.000 2.017 248 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 248 L C -0.445 176.402 176.870 -0.039 0.000 1.073 248 L CA 1.629 56.348 54.840 -0.201 0.000 0.745 248 L CB -1.692 40.347 42.059 -0.033 0.000 0.894 248 L HN 0.175 nan 8.230 nan 0.000 0.432 249 P HA -0.119 nan 4.420 nan 0.000 0.220 249 P C 1.515 178.901 177.300 0.143 0.000 1.148 249 P CA 1.539 64.663 63.100 0.041 0.000 0.803 249 P CB -0.188 31.521 31.700 0.014 0.000 0.782 250 G N -0.725 108.084 108.800 0.015 0.000 2.480 250 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 250 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 250 G C 1.459 176.372 174.900 0.022 0.000 1.200 250 G CA 0.479 45.558 45.100 -0.035 0.000 0.782 250 G HN 0.214 nan 8.290 nan 0.000 0.554 251 F N 1.308 121.279 119.950 0.035 0.000 2.085 251 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 251 F C 3.045 179.001 175.800 0.261 0.000 1.096 251 F CA 0.541 58.670 58.000 0.214 0.000 1.227 251 F CB -0.305 38.888 39.000 0.322 0.000 0.983 251 F HN 0.292 nan 8.300 nan 0.000 0.482 252 G N -0.320 108.759 108.800 0.466 0.000 2.408 252 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 252 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 252 G C 1.563 176.747 174.900 0.473 0.000 1.150 252 G CA 0.581 45.983 45.100 0.503 0.000 0.776 252 G HN 0.236 nan 8.290 nan 0.000 0.542 253 M N 0.130 119.909 119.600 0.298 0.000 2.175 253 M HA 0.036 4.516 4.480 -0.000 0.000 0.264 253 M C 2.382 178.688 176.300 0.010 0.000 1.063 253 M CA 0.819 56.176 55.300 0.095 0.000 1.119 253 M CB -0.224 32.322 32.600 -0.090 0.000 1.377 253 M HN 0.106 nan 8.290 nan 0.000 0.415 254 I N -0.140 120.330 120.570 -0.165 0.000 2.226 254 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 254 I C 2.423 178.389 176.117 -0.252 0.000 1.100 254 I CA 1.405 62.421 61.300 -0.474 0.000 1.374 254 I CB -1.343 35.947 38.000 -1.184 0.000 1.057 254 I HN 0.211 nan 8.210 nan 0.000 0.413 255 S N -0.493 115.306 115.700 0.165 0.000 2.383 255 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 255 S C 1.888 176.672 174.600 0.306 0.000 1.030 255 S CA 1.067 59.529 58.200 0.437 0.000 1.002 255 S CB -0.442 63.129 63.200 0.619 0.000 0.829 255 S HN 0.518 nan 8.310 nan 0.000 0.467 256 H N 0.160 119.336 119.070 0.177 0.000 2.395 256 H HA 0.117 4.673 4.556 -0.000 0.000 0.299 256 H C 2.030 177.327 175.328 -0.051 0.000 1.070 256 H CA 1.155 57.295 56.048 0.152 0.000 1.356 256 H CB -0.033 29.901 29.762 0.286 0.000 1.401 256 H HN 0.357 nan 8.280 nan 0.000 0.524 257 I N 0.218 120.759 120.570 -0.048 0.000 2.353 257 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 257 I C 2.406 178.524 176.117 0.002 0.000 1.119 257 I CA 0.508 61.700 61.300 -0.181 0.000 1.417 257 I CB -0.062 37.813 38.000 -0.208 0.000 1.078 257 I HN 0.012 nan 8.210 nan 0.000 0.421 258 V N 0.613 120.510 119.914 -0.027 0.000 2.358 258 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 258 V C 2.529 178.654 176.094 0.051 0.000 1.047 258 V CA 2.374 64.675 62.300 0.003 0.000 1.035 258 V CB -0.855 30.948 31.823 -0.032 0.000 0.658 258 V HN 0.445 nan 8.190 nan 0.000 0.452 259 T N -0.957 113.642 114.554 0.075 0.000 2.708 259 T HA -0.252 4.098 4.350 -0.000 0.000 0.266 259 T C 1.741 176.426 174.700 -0.025 0.000 1.037 259 T CA 2.207 64.341 62.100 0.056 0.000 1.146 259 T CB -0.391 68.518 68.868 0.069 0.000 0.865 259 T HN 0.543 nan 8.240 nan 0.000 0.435 260 Y N 0.598 120.773 120.300 -0.208 0.000 2.114 260 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 260 Y C 1.859 177.495 175.900 -0.440 0.000 1.143 260 Y CA 1.395 59.254 58.100 -0.400 0.000 1.135 260 Y CB -0.316 37.727 38.460 -0.697 0.000 0.980 260 Y HN 0.223 nan 8.280 nan 0.000 0.499 261 Y N -1.061 119.240 120.300 0.001 0.000 2.529 261 Y HA 0.029 4.579 4.550 -0.000 0.000 0.290 261 Y C 2.248 178.047 175.900 -0.167 0.000 1.177 261 Y CA 0.800 58.849 58.100 -0.084 0.000 1.305 261 Y CB -0.163 38.237 38.460 -0.100 0.000 1.047 261 Y HN 0.033 nan 8.280 nan 0.000 0.522 262 S N -1.077 114.597 115.700 -0.043 0.000 2.548 262 S HA 0.180 4.650 4.470 -0.000 0.000 0.215 262 S C 1.738 176.277 174.600 -0.103 0.000 0.976 262 S CA 0.619 58.776 58.200 -0.072 0.000 0.908 262 S CB -0.211 62.971 63.200 -0.030 0.000 0.781 262 S HN 0.640 nan 8.310 nan 0.000 0.519 263 G N 1.719 110.418 108.800 -0.169 0.000 2.198 263 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 263 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 263 G C -0.096 174.708 174.900 -0.161 0.000 1.025 263 G CA 0.278 45.251 45.100 -0.212 0.000 0.769 263 G HN 0.389 nan 8.290 nan 0.000 0.507 264 K N -0.363 119.960 120.400 -0.127 0.000 2.098 264 K HA 0.558 4.878 4.320 -0.000 0.000 0.258 264 K C 1.478 178.032 176.600 -0.076 0.000 0.973 264 K CA -0.174 56.072 56.287 -0.068 0.000 0.898 264 K CB 0.890 33.389 32.500 -0.003 0.000 1.057 264 K HN 0.261 nan 8.250 nan 0.000 0.447 265 K N 1.049 121.424 120.400 -0.041 0.000 2.400 265 K HA 0.023 4.343 4.320 -0.000 0.000 0.194 265 K C -0.575 176.028 176.600 0.006 0.000 1.033 265 K CA 0.556 56.826 56.287 -0.029 0.000 1.021 265 K CB 0.117 32.604 32.500 -0.022 0.000 0.808 265 K HN 0.635 nan 8.250 nan 0.000 0.505 266 E N 0.352 120.568 120.200 0.027 0.000 2.388 266 E HA 0.281 4.631 4.350 -0.000 0.000 0.281 266 E C -3.087 173.577 176.600 0.107 0.000 1.046 266 E CA -2.270 54.166 56.400 0.061 0.000 0.825 266 E CB 1.214 30.940 29.700 0.043 0.000 1.243 266 E HN -0.160 nan 8.360 nan 0.000 0.438 267 P HA 0.070 nan 4.420 nan 0.000 0.271 267 P C -0.640 176.799 177.300 0.232 0.000 1.218 267 P CA -0.277 62.957 63.100 0.224 0.000 0.780 267 P CB 0.423 32.274 31.700 0.251 0.000 0.901 268 F N 2.222 122.243 119.950 0.118 0.000 2.529 268 F HA 0.337 4.864 4.527 -0.000 0.000 0.365 268 F C 1.396 177.243 175.800 0.079 0.000 1.102 268 F CA 1.388 59.444 58.000 0.094 0.000 1.271 268 F CB -0.053 39.004 39.000 0.095 0.000 1.120 268 F HN 0.712 nan 8.300 nan 0.000 0.579 269 G N 5.670 114.183 108.800 -0.480 0.000 2.333 269 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.296 269 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.296 269 G C 0.397 175.288 174.900 -0.014 0.000 1.059 269 G CA 0.564 45.511 45.100 -0.254 0.000 1.050 269 G HN 1.040 nan 8.290 nan 0.000 0.508 270 Y N 0.259 120.509 120.300 -0.084 0.000 2.040 270 Y HA -0.282 4.268 4.550 -0.000 0.000 0.275 270 Y C 2.689 178.562 175.900 -0.046 0.000 1.171 270 Y CA 2.729 60.819 58.100 -0.016 0.000 1.123 270 Y CB -0.076 38.395 38.460 0.019 0.000 0.963 270 Y HN 0.394 nan 8.280 nan 0.000 0.493 271 M N -0.269 119.395 119.600 0.106 0.000 2.296 271 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 271 M C 2.307 178.549 176.300 -0.097 0.000 1.064 271 M CA 1.372 56.647 55.300 -0.042 0.000 1.109 271 M CB -1.705 30.881 32.600 -0.022 0.000 1.396 271 M HN 0.516 nan 8.290 nan 0.000 0.430 272 G N -0.638 108.123 108.800 -0.065 0.000 2.464 272 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 272 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 272 G C 1.536 176.475 174.900 0.066 0.000 1.138 272 G CA 0.135 45.241 45.100 0.010 0.000 0.793 272 G HN 0.246 nan 8.290 nan 0.000 0.539 273 M N 0.545 120.101 119.600 -0.073 0.000 2.254 273 M HA 0.047 4.527 4.480 -0.000 0.000 0.265 273 M C 2.632 178.804 176.300 -0.214 0.000 1.066 273 M CA 0.684 55.902 55.300 -0.137 0.000 1.123 273 M CB -0.712 31.802 32.600 -0.143 0.000 1.388 273 M HN 0.102 nan 8.290 nan 0.000 0.425 274 V N -1.011 118.672 119.914 -0.384 0.000 2.283 274 V HA -0.249 3.871 4.120 -0.000 0.000 0.243 274 V C 2.071 177.953 176.094 -0.352 0.000 1.039 274 V CA 1.740 63.656 62.300 -0.640 0.000 1.016 274 V CB -0.764 30.426 31.823 -1.054 0.000 0.650 274 V HN 0.626 nan 8.190 nan 0.000 0.449 275 W N 1.315 122.407 121.300 -0.346 0.000 2.318 275 W HA -0.278 4.382 4.660 -0.000 0.000 0.313 275 W C 2.419 178.851 176.519 -0.145 0.000 1.221 275 W CA 2.492 59.708 57.345 -0.215 0.000 1.266 275 W CB -0.474 28.886 29.460 -0.168 0.000 1.150 275 W HN 0.195 nan 8.180 nan 0.000 0.496 276 A N 0.416 123.178 122.820 -0.096 0.000 1.908 276 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 276 A C 2.043 179.451 177.584 -0.293 0.000 1.181 276 A CA 2.324 54.154 52.037 -0.344 0.000 0.627 276 A CB -0.902 18.063 19.000 -0.058 0.000 0.818 276 A HN 0.468 nan 8.150 nan 0.000 0.445 277 M N -1.204 118.298 119.600 -0.164 0.000 2.200 277 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 277 M C 2.339 178.601 176.300 -0.062 0.000 1.066 277 M CA 1.248 56.531 55.300 -0.028 0.000 1.127 277 M CB -0.433 32.202 32.600 0.059 0.000 1.379 277 M HN 0.416 nan 8.290 nan 0.000 0.420 278 M N -0.559 118.947 119.600 -0.157 0.000 2.086 278 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 278 M C 2.290 178.509 176.300 -0.135 0.000 1.067 278 M CA 1.473 56.709 55.300 -0.106 0.000 1.116 278 M CB -0.779 31.745 32.600 -0.127 0.000 1.348 278 M HN 0.195 nan 8.290 nan 0.000 0.407 279 S N 1.108 116.578 115.700 -0.382 0.000 2.370 279 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 279 S C 1.861 176.374 174.600 -0.146 0.000 1.033 279 S CA 1.272 59.250 58.200 -0.369 0.000 1.011 279 S CB -0.428 62.273 63.200 -0.831 0.000 0.852 279 S HN 0.344 nan 8.310 nan 0.000 0.457 280 I N 1.387 121.857 120.570 -0.166 0.000 2.226 280 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 280 I C 2.649 178.688 176.117 -0.132 0.000 1.100 280 I CA 1.144 62.369 61.300 -0.125 0.000 1.374 280 I CB -0.720 37.286 38.000 0.010 0.000 1.057 280 I HN 0.372 nan 8.210 nan 0.000 0.413 281 G N 0.406 109.205 108.800 -0.002 0.000 2.440 281 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 281 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 281 G C 1.591 176.605 174.900 0.190 0.000 1.154 281 G CA 0.729 45.880 45.100 0.085 0.000 0.767 281 G HN 0.377 nan 8.290 nan 0.000 0.552 282 F N 1.048 121.030 119.950 0.054 0.000 2.074 282 F HA 0.138 4.665 4.527 -0.000 0.000 0.293 282 F C 2.461 178.317 175.800 0.093 0.000 1.116 282 F CA 1.026 59.095 58.000 0.115 0.000 1.212 282 F CB -0.347 38.667 39.000 0.022 0.000 0.998 282 F HN 0.017 nan 8.300 nan 0.000 0.471 283 L N 0.513 121.761 121.223 0.041 0.000 2.129 283 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 283 L C 2.596 179.317 176.870 -0.247 0.000 1.087 283 L CA 1.312 56.071 54.840 -0.134 0.000 0.757 283 L CB -1.441 40.590 42.059 -0.047 0.000 0.896 283 L HN 0.432 nan 8.230 nan 0.000 0.434 284 G N -1.366 107.260 108.800 -0.291 0.000 2.625 284 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 284 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 284 G C 1.154 175.910 174.900 -0.240 0.000 1.132 284 G CA 0.082 44.992 45.100 -0.316 0.000 0.782 284 G HN 0.285 nan 8.290 nan 0.000 0.538 285 F N 0.125 119.935 119.950 -0.234 0.000 2.776 285 F HA 0.282 4.809 4.527 -0.000 0.000 0.300 285 F C 1.864 177.587 175.800 -0.128 0.000 1.116 285 F CA -0.024 57.808 58.000 -0.280 0.000 1.375 285 F CB 0.412 39.217 39.000 -0.326 0.000 1.109 285 F HN 0.215 nan 8.300 nan 0.000 0.585 286 I N -2.123 118.471 120.570 0.039 0.000 3.856 286 I HA 0.245 4.415 4.170 -0.000 0.000 0.330 286 I C 0.463 176.642 176.117 0.102 0.000 1.546 286 I CA -0.008 61.388 61.300 0.161 0.000 1.132 286 I CB 0.180 38.184 38.000 0.007 0.000 1.157 286 I HN -0.098 nan 8.210 nan 0.000 0.440 287 V N -3.451 116.533 119.914 0.115 0.000 3.382 287 V HA 0.220 4.340 4.120 -0.000 0.000 0.296 287 V C 1.650 177.596 176.094 -0.246 0.000 1.529 287 V CA -0.213 62.089 62.300 0.004 0.000 1.048 287 V CB -0.907 30.832 31.823 -0.140 0.000 0.878 287 V HN 0.687 nan 8.190 nan 0.000 0.442 288 W N 2.233 123.485 121.300 -0.080 0.000 2.331 288 W HA -0.000 4.660 4.660 -0.000 0.000 0.291 288 W C 1.888 178.113 176.519 -0.488 0.000 1.214 288 W CA 1.904 59.126 57.345 -0.204 0.000 1.228 288 W CB -0.958 28.561 29.460 0.100 0.000 1.135 288 W HN 0.237 nan 8.180 nan 0.000 0.537 289 A N 1.849 123.734 122.820 -1.558 0.000 2.216 289 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 289 A C 1.823 178.629 177.584 -1.296 0.000 1.160 289 A CA 1.294 52.424 52.037 -1.511 0.000 0.725 289 A CB -1.830 15.795 19.000 -2.292 0.000 0.784 289 A HN 0.799 nan 8.150 nan 0.000 0.472 290 H N -2.658 115.722 119.070 -1.150 0.000 2.567 290 H HA -0.003 4.553 4.556 -0.000 0.000 0.276 290 H C 0.435 174.907 175.328 -1.427 0.000 1.016 290 H CA 0.905 55.937 56.048 -1.693 0.000 1.186 290 H CB -0.372 28.809 29.762 -0.968 0.000 1.351 290 H HN 0.685 nan 8.280 nan 0.000 0.605 291 H N 0.479 119.068 119.070 -0.803 0.000 2.519 291 H HA 0.259 4.815 4.556 -0.000 0.000 0.289 291 H C 0.449 175.428 175.328 -0.582 0.000 1.040 291 H CA 0.090 55.677 56.048 -0.768 0.000 1.165 291 H CB 0.479 29.248 29.762 -1.655 0.000 1.462 291 H HN 0.479 nan 8.280 nan 0.000 0.555 292 M N -0.494 118.772 119.600 -0.557 0.000 3.340 292 M HA 0.085 4.565 4.480 -0.000 0.000 0.471 292 M C 0.067 176.226 176.300 -0.236 0.000 1.550 292 M CA -0.096 55.001 55.300 -0.339 0.000 0.754 292 M CB 0.568 32.994 32.600 -0.289 0.000 1.485 292 M HN -0.053 nan 8.290 nan 0.000 0.530 293 F N 0.970 120.748 119.950 -0.287 0.000 2.407 293 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 293 F C 2.612 178.307 175.800 -0.175 0.000 1.097 293 F CA 1.559 59.436 58.000 -0.206 0.000 1.422 293 F CB -0.525 38.371 39.000 -0.173 0.000 1.067 293 F HN 0.250 nan 8.300 nan 0.000 0.539 294 T N -3.343 111.167 114.554 -0.073 0.000 3.069 294 T HA 0.114 4.464 4.350 -0.000 0.000 0.252 294 T C 1.671 176.361 174.700 -0.016 0.000 1.053 294 T CA 0.720 62.794 62.100 -0.043 0.000 0.964 294 T CB -0.719 68.123 68.868 -0.043 0.000 1.005 294 T HN 0.089 nan 8.240 nan 0.000 0.532 295 V N -1.484 118.413 119.914 -0.029 0.000 3.041 295 V HA 0.527 4.647 4.120 -0.000 0.000 0.260 295 V C 1.540 177.648 176.094 0.024 0.000 1.105 295 V CA 0.644 62.943 62.300 -0.003 0.000 1.125 295 V CB -1.122 30.681 31.823 -0.033 0.000 0.730 295 V HN 0.815 nan 8.190 nan 0.000 0.479 296 G N -0.018 108.801 108.800 0.032 0.000 2.337 296 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.134 296 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.134 296 G C -0.406 174.530 174.900 0.060 0.000 1.052 296 G CA 0.004 45.131 45.100 0.045 0.000 0.737 296 G HN 0.452 nan 8.290 nan 0.000 0.485 297 M N 0.503 120.145 119.600 0.069 0.000 2.359 297 M HA 0.408 4.888 4.480 -0.000 0.000 0.322 297 M C 0.292 176.642 176.300 0.083 0.000 1.166 297 M CA -0.788 54.567 55.300 0.092 0.000 1.067 297 M CB 0.508 33.177 32.600 0.115 0.000 1.523 297 M HN 0.109 nan 8.290 nan 0.000 0.467 298 D N 0.798 121.250 120.400 0.087 0.000 2.515 298 D HA -0.081 4.559 4.640 -0.000 0.000 0.232 298 D C 0.851 177.194 176.300 0.072 0.000 1.157 298 D CA 0.118 54.162 54.000 0.072 0.000 0.871 298 D CB 0.688 41.532 40.800 0.074 0.000 1.200 298 D HN 0.355 nan 8.370 nan 0.000 0.466 299 V N 1.939 121.882 119.914 0.048 0.000 2.358 299 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 299 V C 1.305 177.428 176.094 0.048 0.000 1.047 299 V CA 1.861 64.180 62.300 0.032 0.000 1.035 299 V CB -0.164 31.666 31.823 0.011 0.000 0.658 299 V HN 0.449 nan 8.190 nan 0.000 0.452 300 D N -0.294 120.140 120.400 0.056 0.000 2.106 300 D HA -0.170 4.470 4.640 -0.000 0.000 0.191 300 D C 2.245 178.617 176.300 0.121 0.000 0.997 300 D CA 2.092 56.133 54.000 0.068 0.000 0.834 300 D CB -0.721 40.110 40.800 0.052 0.000 0.956 300 D HN 0.441 nan 8.370 nan 0.000 0.448 301 T N 0.766 115.409 114.554 0.149 0.000 2.665 301 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 301 T C 1.962 176.892 174.700 0.384 0.000 1.035 301 T CA 1.253 63.512 62.100 0.264 0.000 1.151 301 T CB -0.105 68.912 68.868 0.249 0.000 0.862 301 T HN 0.181 nan 8.240 nan 0.000 0.438 302 R N 0.500 121.150 120.500 0.251 0.000 2.148 302 R HA 0.139 4.479 4.340 -0.000 0.000 0.223 302 R C 2.717 179.073 176.300 0.093 0.000 1.088 302 R CA 0.951 57.182 56.100 0.219 0.000 0.985 302 R CB -0.271 30.051 30.300 0.037 0.000 0.880 302 R HN 0.355 nan 8.270 nan 0.000 0.451 303 A N 0.531 123.392 122.820 0.068 0.000 1.897 303 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 303 A C 1.929 179.529 177.584 0.028 0.000 1.181 303 A CA 0.934 52.980 52.037 0.015 0.000 0.620 303 A CB -0.636 18.374 19.000 0.016 0.000 0.821 303 A HN 0.426 nan 8.150 nan 0.000 0.443 304 Y N -0.210 120.083 120.300 -0.012 0.000 2.070 304 Y HA -0.255 4.295 4.550 -0.000 0.000 0.280 304 Y C 1.899 177.718 175.900 -0.136 0.000 1.148 304 Y CA 2.023 60.054 58.100 -0.116 0.000 1.125 304 Y CB -0.817 37.510 38.460 -0.221 0.000 0.975 304 Y HN 0.236 nan 8.280 nan 0.000 0.492 305 F N 0.515 120.334 119.950 -0.218 0.000 2.236 305 F HA -0.253 4.274 4.527 -0.000 0.000 0.302 305 F C 2.426 178.178 175.800 -0.080 0.000 1.073 305 F CA 2.006 59.852 58.000 -0.257 0.000 1.336 305 F CB -0.956 38.041 39.000 -0.006 0.000 1.040 305 F HN 0.098 nan 8.300 nan 0.000 0.507 306 T N -1.216 113.398 114.554 0.101 0.000 2.732 306 T HA -0.141 4.209 4.350 -0.000 0.000 0.261 306 T C 2.259 176.914 174.700 -0.076 0.000 1.040 306 T CA 1.574 63.693 62.100 0.031 0.000 1.145 306 T CB -0.435 68.368 68.868 -0.109 0.000 0.866 306 T HN 0.172 nan 8.240 nan 0.000 0.427 307 S N 1.867 117.479 115.700 -0.145 0.000 2.359 307 S HA -0.139 4.331 4.470 -0.000 0.000 0.222 307 S C 2.579 177.061 174.600 -0.197 0.000 1.038 307 S CA 1.253 59.362 58.200 -0.152 0.000 1.051 307 S CB -0.787 62.333 63.200 -0.134 0.000 0.944 307 S HN 0.586 nan 8.310 nan 0.000 0.433 308 A N 1.079 123.659 122.820 -0.400 0.000 1.933 308 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 308 A C 2.303 179.765 177.584 -0.203 0.000 1.175 308 A CA 2.019 53.837 52.037 -0.364 0.000 0.628 308 A CB -1.278 17.299 19.000 -0.706 0.000 0.814 308 A HN 0.494 nan 8.150 nan 0.000 0.444 309 T N -0.233 114.230 114.554 -0.152 0.000 2.867 309 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 309 T C 1.838 176.504 174.700 -0.057 0.000 1.057 309 T CA 1.648 63.715 62.100 -0.055 0.000 1.136 309 T CB -0.247 68.634 68.868 0.023 0.000 0.874 309 T HN 0.467 nan 8.240 nan 0.000 0.466 310 M N -0.045 119.520 119.600 -0.059 0.000 2.334 310 M HA 0.172 4.652 4.480 -0.000 0.000 0.266 310 M C 2.056 178.349 176.300 -0.011 0.000 1.082 310 M CA 0.947 56.226 55.300 -0.035 0.000 1.141 310 M CB -0.329 32.249 32.600 -0.037 0.000 1.380 310 M HN 0.176 nan 8.290 nan 0.000 0.440 311 I N 0.835 121.394 120.570 -0.018 0.000 2.236 311 I HA -0.348 3.822 4.170 -0.000 0.000 0.249 311 I C 2.097 178.228 176.117 0.024 0.000 1.102 311 I CA 1.402 62.708 61.300 0.010 0.000 1.365 311 I CB -0.404 37.599 38.000 0.006 0.000 1.051 311 I HN 0.293 nan 8.210 nan 0.000 0.420 312 I N 0.681 121.256 120.570 0.008 0.000 2.423 312 I HA -0.312 3.858 4.170 -0.000 0.000 0.254 312 I C 2.729 178.887 176.117 0.068 0.000 1.151 312 I CA 1.108 62.419 61.300 0.018 0.000 1.421 312 I CB -0.631 37.377 38.000 0.013 0.000 1.079 312 I HN 0.234 nan 8.210 nan 0.000 0.431 313 A N 1.389 124.251 122.820 0.069 0.000 1.978 313 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 313 A C 2.254 179.896 177.584 0.097 0.000 1.170 313 A CA 1.374 53.461 52.037 0.083 0.000 0.636 313 A CB -0.613 18.423 19.000 0.060 0.000 0.810 313 A HN 0.386 nan 8.150 nan 0.000 0.448 314 I N 0.454 121.085 120.570 0.102 0.000 2.058 314 I HA -0.173 3.997 4.170 -0.000 0.000 0.235 314 I C -0.237 175.988 176.117 0.180 0.000 1.053 314 I CA 1.680 63.070 61.300 0.150 0.000 1.313 314 I CB -1.464 36.639 38.000 0.171 0.000 1.039 314 I HN 0.224 nan 8.210 nan 0.000 0.396 315 P HA -0.155 nan 4.420 nan 0.000 0.216 315 P C 1.556 178.867 177.300 0.019 0.000 1.150 315 P CA 1.837 64.963 63.100 0.044 0.000 0.837 315 P CB -0.365 31.147 31.700 -0.314 0.000 0.786 316 T N -0.407 114.170 114.554 0.038 0.000 2.746 316 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 316 T C 2.195 176.849 174.700 -0.076 0.000 1.039 316 T CA 1.744 63.857 62.100 0.023 0.000 1.142 316 T CB -1.318 67.681 68.868 0.219 0.000 0.866 316 T HN 0.199 nan 8.240 nan 0.000 0.444 317 G N 1.463 110.258 108.800 -0.008 0.000 2.476 317 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 317 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 317 G C 1.704 176.580 174.900 -0.039 0.000 1.164 317 G CA 1.041 46.103 45.100 -0.063 0.000 0.768 317 G HN 0.434 nan 8.290 nan 0.000 0.560 318 V N 0.798 120.775 119.914 0.105 0.000 2.380 318 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 318 V C 2.816 178.841 176.094 -0.115 0.000 1.063 318 V CA 2.458 64.825 62.300 0.113 0.000 1.055 318 V CB -0.399 31.552 31.823 0.214 0.000 0.657 318 V HN 0.433 nan 8.190 nan 0.000 0.455 319 K N -0.652 119.541 120.400 -0.345 0.000 2.103 319 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 319 K C 2.059 178.043 176.600 -1.027 0.000 1.052 319 K CA 1.065 56.858 56.287 -0.823 0.000 0.945 319 K CB -0.291 31.507 32.500 -1.170 0.000 0.722 319 K HN 0.335 nan 8.250 nan 0.000 0.443 320 V N 1.132 120.651 119.914 -0.658 0.000 2.343 320 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 320 V C 1.959 177.897 176.094 -0.260 0.000 1.051 320 V CA 1.765 63.859 62.300 -0.343 0.000 1.036 320 V CB -0.556 31.055 31.823 -0.354 0.000 0.654 320 V HN 0.194 nan 8.190 nan 0.000 0.451 321 F N 0.420 120.340 119.950 -0.051 0.000 2.186 321 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 321 F C 2.636 178.368 175.800 -0.112 0.000 1.090 321 F CA 1.346 59.314 58.000 -0.053 0.000 1.307 321 F CB -0.504 38.461 39.000 -0.058 0.000 1.019 321 F HN 0.056 nan 8.300 nan 0.000 0.489 322 S N -0.923 114.771 115.700 -0.011 0.000 2.402 322 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 322 S C 1.624 176.270 174.600 0.076 0.000 1.021 322 S CA 0.738 58.946 58.200 0.013 0.000 0.974 322 S CB -0.354 62.888 63.200 0.069 0.000 0.800 322 S HN 0.403 nan 8.310 nan 0.000 0.484 323 W N 1.658 122.998 121.300 0.066 0.000 2.436 323 W HA 0.190 4.850 4.660 -0.000 0.000 0.284 323 W C 1.782 178.332 176.519 0.052 0.000 1.225 323 W CA 0.067 57.451 57.345 0.066 0.000 1.271 323 W CB -0.998 28.500 29.460 0.065 0.000 1.114 323 W HN 0.318 nan 8.180 nan 0.000 0.559 324 L N -0.046 121.327 121.223 0.250 0.000 2.109 324 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 324 L C 2.552 179.460 176.870 0.063 0.000 1.086 324 L CA 1.336 56.275 54.840 0.165 0.000 0.760 324 L CB -1.144 41.020 42.059 0.175 0.000 0.910 324 L HN -0.177 nan 8.230 nan 0.000 0.437 325 A N -0.766 122.004 122.820 -0.082 0.000 2.119 325 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 325 A C 2.246 179.817 177.584 -0.021 0.000 1.153 325 A CA 1.606 53.462 52.037 -0.300 0.000 0.692 325 A CB -0.571 17.724 19.000 -1.174 0.000 0.799 325 A HN 0.343 nan 8.150 nan 0.000 0.458 326 T N 0.328 114.957 114.554 0.125 0.000 2.904 326 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 326 T C 1.697 176.477 174.700 0.133 0.000 1.059 326 T CA 1.136 63.357 62.100 0.202 0.000 1.137 326 T CB -0.261 68.763 68.868 0.260 0.000 0.879 326 T HN 0.405 nan 8.240 nan 0.000 0.467 327 L N 0.084 121.377 121.223 0.117 0.000 2.109 327 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 327 L C 1.293 178.213 176.870 0.084 0.000 1.086 327 L CA 0.369 55.248 54.840 0.065 0.000 0.760 327 L CB -0.732 41.357 42.059 0.051 0.000 0.910 327 L HN 0.277 nan 8.230 nan 0.000 0.437 328 H N 1.277 120.347 119.070 -0.001 0.000 3.216 328 H HA 0.132 4.688 4.556 -0.000 0.000 0.283 328 H C 1.134 176.466 175.328 0.007 0.000 0.921 328 H CA 0.265 56.308 56.048 -0.008 0.000 1.419 328 H CB 0.025 29.763 29.762 -0.041 0.000 1.460 328 H HN 0.331 nan 8.280 nan 0.000 0.553 329 G N 3.150 111.772 108.800 -0.296 0.000 2.153 329 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.252 329 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.252 329 G C 0.680 175.502 174.900 -0.131 0.000 0.994 329 G CA 0.381 45.307 45.100 -0.291 0.000 0.698 329 G HN 1.023 nan 8.290 nan 0.000 0.521 330 G N -0.589 108.164 108.800 -0.078 0.000 2.507 330 G HA2 0.434 4.394 3.960 -0.000 0.000 0.271 330 G HA3 0.434 4.394 3.960 -0.000 0.000 0.271 330 G C 0.066 174.928 174.900 -0.063 0.000 1.189 330 G CA 0.023 45.084 45.100 -0.064 0.000 0.859 330 G HN 0.473 nan 8.290 nan 0.000 0.542 331 N N 1.055 119.715 118.700 -0.066 0.000 2.602 331 N HA 0.080 4.820 4.740 -0.000 0.000 0.238 331 N C 0.033 175.498 175.510 -0.076 0.000 1.084 331 N CA -0.608 52.408 53.050 -0.056 0.000 0.952 331 N CB 0.067 38.520 38.487 -0.055 0.000 1.244 331 N HN 0.111 nan 8.380 nan 0.000 0.512 332 I N 1.987 122.498 120.570 -0.098 0.000 2.452 332 I HA 0.091 4.261 4.170 -0.000 0.000 0.287 332 I C 0.711 176.709 176.117 -0.197 0.000 1.079 332 I CA -0.413 60.755 61.300 -0.220 0.000 1.387 332 I CB 0.237 38.005 38.000 -0.387 0.000 1.404 332 I HN 0.375 nan 8.210 nan 0.000 0.522 333 K N 6.847 127.160 120.400 -0.146 0.000 2.292 333 K HA 0.197 4.517 4.320 -0.000 0.000 0.270 333 K C -0.839 175.686 176.600 -0.125 0.000 1.062 333 K CA -0.236 56.040 56.287 -0.019 0.000 0.916 333 K CB 0.176 32.755 32.500 0.131 0.000 1.166 333 K HN 0.361 nan 8.250 nan 0.000 0.458 334 W N 4.793 126.049 121.300 -0.074 0.000 1.435 334 W HA 0.078 4.738 4.660 -0.000 0.000 0.471 334 W C 0.317 176.710 176.519 -0.209 0.000 0.590 334 W CA -0.391 56.866 57.345 -0.146 0.000 2.419 334 W CB -0.481 28.909 29.460 -0.118 0.000 1.251 334 W HN 0.558 nan 8.180 nan 0.000 0.338 335 S N 0.039 115.620 115.700 -0.198 0.000 2.600 335 S HA 0.228 4.698 4.470 -0.000 0.000 0.265 335 S C -1.310 173.118 174.600 -0.287 0.000 1.325 335 S CA -1.100 56.928 58.200 -0.287 0.000 1.002 335 S CB 1.247 64.059 63.200 -0.646 0.000 0.921 335 S HN -0.003 nan 8.310 nan 0.000 0.554 336 P HA -0.059 nan 4.420 nan 0.000 0.215 336 P C 1.572 178.800 177.300 -0.121 0.000 1.153 336 P CA 1.962 64.983 63.100 -0.132 0.000 0.853 336 P CB -0.385 31.360 31.700 0.076 0.000 0.788 337 A N -0.994 121.749 122.820 -0.127 0.000 1.972 337 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 337 A C 2.219 179.667 177.584 -0.228 0.000 1.169 337 A CA 2.090 54.087 52.037 -0.067 0.000 0.635 337 A CB -1.346 17.590 19.000 -0.107 0.000 0.810 337 A HN 0.124 nan 8.150 nan 0.000 0.446 338 M N -0.548 118.754 119.600 -0.495 0.000 2.156 338 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 338 M C 2.028 178.143 176.300 -0.308 0.000 1.067 338 M CA 1.721 56.787 55.300 -0.391 0.000 1.131 338 M CB -0.663 31.648 32.600 -0.482 0.000 1.368 338 M HN 0.407 nan 8.290 nan 0.000 0.416 339 M N -1.657 117.674 119.600 -0.449 0.000 2.108 339 M HA -0.247 4.233 4.480 -0.000 0.000 0.261 339 M C 1.938 177.772 176.300 -0.776 0.000 1.066 339 M CA 2.047 56.880 55.300 -0.778 0.000 1.107 339 M CB -0.741 31.029 32.600 -1.384 0.000 1.356 339 M HN 0.382 nan 8.290 nan 0.000 0.406 340 W N 0.076 121.081 121.300 -0.492 0.000 2.363 340 W HA -0.139 4.521 4.660 -0.000 0.000 0.296 340 W C 2.707 179.307 176.519 0.134 0.000 1.212 340 W CA 1.146 58.431 57.345 -0.101 0.000 1.260 340 W CB -0.449 28.960 29.460 -0.085 0.000 1.131 340 W HN 0.222 nan 8.180 nan 0.000 0.530 341 A N -0.180 122.746 122.820 0.178 0.000 1.968 341 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 341 A C 1.912 179.604 177.584 0.179 0.000 1.169 341 A CA 1.134 53.222 52.037 0.085 0.000 0.638 341 A CB -0.835 18.105 19.000 -0.101 0.000 0.812 341 A HN 0.285 nan 8.150 nan 0.000 0.446 342 L N -0.844 120.461 121.223 0.137 0.000 2.072 342 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 342 L C 2.846 179.961 176.870 0.408 0.000 1.079 342 L CA 0.971 55.928 54.840 0.196 0.000 0.752 342 L CB -0.861 41.250 42.059 0.087 0.000 0.906 342 L HN 0.465 nan 8.230 nan 0.000 0.436 343 G N 0.037 109.168 108.800 0.551 0.000 2.446 343 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.217 343 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.217 343 G C 1.494 176.853 174.900 0.765 0.000 1.168 343 G CA 0.784 46.405 45.100 0.869 0.000 0.771 343 G HN 0.280 nan 8.290 nan 0.000 0.551 344 F N 1.538 121.859 119.950 0.618 0.000 2.065 344 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 344 F C 2.530 178.517 175.800 0.311 0.000 1.112 344 F CA 1.585 59.818 58.000 0.388 0.000 1.212 344 F CB -0.306 38.864 39.000 0.284 0.000 0.975 344 F HN 0.114 nan 8.300 nan 0.000 0.476 345 I N -0.854 120.086 120.570 0.617 0.000 2.264 345 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 345 I C 2.321 178.687 176.117 0.415 0.000 1.111 345 I CA 1.564 63.178 61.300 0.523 0.000 1.382 345 I CB -0.594 37.664 38.000 0.431 0.000 1.060 345 I HN 0.260 nan 8.210 nan 0.000 0.418 346 F N 1.507 121.613 119.950 0.260 0.000 2.118 346 F HA -0.081 4.446 4.527 -0.000 0.000 0.293 346 F C 2.179 178.069 175.800 0.149 0.000 1.102 346 F CA 1.468 59.591 58.000 0.205 0.000 1.247 346 F CB -0.359 38.777 39.000 0.227 0.000 1.017 346 F HN -0.176 nan 8.300 nan 0.000 0.475 347 L N -0.779 120.428 121.223 -0.026 0.000 2.046 347 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 347 L C 2.473 179.212 176.870 -0.218 0.000 1.077 347 L CA 1.614 56.333 54.840 -0.203 0.000 0.747 347 L CB -1.094 40.834 42.059 -0.218 0.000 0.896 347 L HN 0.233 nan 8.230 nan 0.000 0.432 348 F N 0.961 120.675 119.950 -0.393 0.000 2.120 348 F HA -0.294 4.233 4.527 -0.000 0.000 0.300 348 F C 2.443 178.115 175.800 -0.212 0.000 1.095 348 F CA 2.170 59.915 58.000 -0.425 0.000 1.249 348 F CB -0.313 38.198 39.000 -0.816 0.000 0.995 348 F HN -0.059 nan 8.300 nan 0.000 0.480 349 T N 0.178 114.594 114.554 -0.230 0.000 2.737 349 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 349 T C 2.130 176.623 174.700 -0.346 0.000 1.038 349 T CA 1.544 63.499 62.100 -0.241 0.000 1.144 349 T CB -0.609 68.228 68.868 -0.052 0.000 0.866 349 T HN 0.131 nan 8.240 nan 0.000 0.434 350 V N 1.484 121.151 119.914 -0.413 0.000 2.231 350 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 350 V C 2.856 178.744 176.094 -0.344 0.000 1.054 350 V CA 2.227 64.292 62.300 -0.392 0.000 1.015 350 V CB -1.381 30.175 31.823 -0.446 0.000 0.638 350 V HN 0.611 nan 8.190 nan 0.000 0.444 351 G N -0.561 108.045 108.800 -0.323 0.000 2.408 351 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 351 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 351 G C 1.586 176.368 174.900 -0.198 0.000 1.150 351 G CA 0.906 45.851 45.100 -0.258 0.000 0.776 351 G HN 0.623 nan 8.290 nan 0.000 0.542 352 G N 0.824 109.353 108.800 -0.451 0.000 2.408 352 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 352 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 352 G C 1.787 176.594 174.900 -0.156 0.000 1.150 352 G CA 0.628 45.520 45.100 -0.346 0.000 0.776 352 G HN 0.420 nan 8.290 nan 0.000 0.542 353 L N 1.188 122.305 121.223 -0.178 0.000 2.093 353 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 353 L C 3.315 180.130 176.870 -0.092 0.000 1.085 353 L CA 1.669 56.440 54.840 -0.114 0.000 0.755 353 L CB -0.723 41.269 42.059 -0.112 0.000 0.904 353 L HN 0.395 nan 8.230 nan 0.000 0.435 354 T N -3.434 111.061 114.554 -0.099 0.000 2.915 354 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 354 T C 1.929 176.559 174.700 -0.117 0.000 1.071 354 T CA 0.901 62.971 62.100 -0.050 0.000 1.132 354 T CB -0.748 68.030 68.868 -0.151 0.000 0.878 354 T HN 0.385 nan 8.240 nan 0.000 0.479 355 G N 1.736 110.399 108.800 -0.229 0.000 2.408 355 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.217 355 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.217 355 G C 1.467 176.193 174.900 -0.289 0.000 1.150 355 G CA 0.563 45.299 45.100 -0.605 0.000 0.776 355 G HN 0.465 nan 8.290 nan 0.000 0.542 356 I N 1.025 121.507 120.570 -0.147 0.000 2.394 356 I HA -0.087 4.083 4.170 -0.000 0.000 0.251 356 I C 2.897 178.963 176.117 -0.086 0.000 1.136 356 I CA 0.597 61.838 61.300 -0.098 0.000 1.425 356 I CB -0.909 37.057 38.000 -0.056 0.000 1.079 356 I HN 0.030 nan 8.210 nan 0.000 0.425 357 V N 1.204 121.080 119.914 -0.063 0.000 2.261 357 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 357 V C 2.530 178.580 176.094 -0.074 0.000 1.047 357 V CA 1.586 63.857 62.300 -0.047 0.000 1.015 357 V CB -0.623 31.214 31.823 0.024 0.000 0.642 357 V HN 0.322 nan 8.190 nan 0.000 0.446 358 L N 0.248 121.427 121.223 -0.073 0.000 2.362 358 L HA -0.069 4.271 4.340 -0.000 0.000 0.219 358 L C 2.563 179.405 176.870 -0.047 0.000 1.134 358 L CA 1.016 55.812 54.840 -0.074 0.000 0.807 358 L CB -0.723 41.269 42.059 -0.112 0.000 0.927 358 L HN 0.348 nan 8.230 nan 0.000 0.447 359 A N -0.406 122.361 122.820 -0.087 0.000 2.125 359 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 359 A C 0.923 178.530 177.584 0.038 0.000 1.156 359 A CA 0.773 52.809 52.037 -0.001 0.000 0.671 359 A CB -0.530 18.426 19.000 -0.074 0.000 0.794 359 A HN 0.425 nan 8.150 nan 0.000 0.459 360 N N 1.238 119.892 118.700 -0.076 0.000 2.415 360 N HA 0.103 4.843 4.740 -0.000 0.000 0.250 360 N C 1.082 176.391 175.510 -0.335 0.000 1.127 360 N CA 0.656 53.593 53.050 -0.188 0.000 0.945 360 N CB 1.130 39.531 38.487 -0.142 0.000 1.196 360 N HN 0.483 nan 8.380 nan 0.000 0.499 361 S N 1.417 116.677 115.700 -0.735 0.000 2.392 361 S HA -0.216 4.254 4.470 -0.000 0.000 0.232 361 S C 1.908 176.245 174.600 -0.440 0.000 1.041 361 S CA 1.159 58.718 58.200 -1.068 0.000 1.026 361 S CB -0.167 62.165 63.200 -1.447 0.000 0.845 361 S HN 0.441 nan 8.310 nan 0.000 0.465 362 S N 2.069 117.585 115.700 -0.306 0.000 2.365 362 S HA -0.018 4.452 4.470 -0.000 0.000 0.221 362 S C 1.796 176.312 174.600 -0.139 0.000 1.037 362 S CA 1.532 59.624 58.200 -0.180 0.000 1.060 362 S CB -0.670 62.443 63.200 -0.144 0.000 0.974 362 S HN 0.443 nan 8.310 nan 0.000 0.427 363 L N 0.958 122.095 121.223 -0.142 0.000 2.156 363 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 363 L C 2.208 179.016 176.870 -0.104 0.000 1.095 363 L CA 1.366 56.131 54.840 -0.125 0.000 0.770 363 L CB -0.403 41.570 42.059 -0.144 0.000 0.914 363 L HN 0.313 nan 8.230 nan 0.000 0.439 364 D N -0.027 120.321 120.400 -0.088 0.000 2.219 364 D HA -0.203 4.437 4.640 -0.000 0.000 0.205 364 D C 2.175 178.507 176.300 0.052 0.000 0.970 364 D CA 0.779 54.784 54.000 0.008 0.000 0.851 364 D CB 0.177 41.053 40.800 0.127 0.000 0.943 364 D HN 0.128 nan 8.370 nan 0.000 0.488 365 I N 0.369 120.940 120.570 0.001 0.000 2.143 365 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 365 I C 2.281 178.428 176.117 0.050 0.000 1.068 365 I CA 1.005 62.322 61.300 0.029 0.000 1.326 365 I CB -1.276 36.720 38.000 -0.008 0.000 1.028 365 I HN 0.088 nan 8.210 nan 0.000 0.412 366 V N 0.330 120.249 119.914 0.008 0.000 2.649 366 V HA -0.083 4.037 4.120 -0.000 0.000 0.248 366 V C 2.358 178.451 176.094 -0.000 0.000 1.054 366 V CA 0.875 63.176 62.300 0.001 0.000 1.073 366 V CB -0.229 31.576 31.823 -0.030 0.000 0.699 366 V HN 0.306 nan 8.190 nan 0.000 0.463 367 L N -1.038 120.175 121.223 -0.016 0.000 2.375 367 L HA 0.149 4.489 4.340 -0.000 0.000 0.215 367 L C 1.301 178.207 176.870 0.059 0.000 1.108 367 L CA 0.073 54.899 54.840 -0.023 0.000 0.830 367 L CB -0.477 41.499 42.059 -0.138 0.000 0.959 367 L HN 0.370 nan 8.230 nan 0.000 0.457 368 H N 1.263 120.345 119.070 0.021 0.000 3.001 368 H HA -0.098 4.458 4.556 -0.000 0.000 0.334 368 H C 0.450 175.802 175.328 0.039 0.000 1.034 368 H CA 0.576 56.650 56.048 0.043 0.000 1.420 368 H CB 0.157 29.954 29.762 0.057 0.000 1.405 368 H HN 0.117 nan 8.280 nan 0.000 0.593 369 D N 2.152 122.074 120.400 -0.797 0.000 2.945 369 D HA -0.198 4.442 4.640 -0.000 0.000 0.225 369 D C -0.311 175.839 176.300 -0.249 0.000 1.158 369 D CA 1.461 55.128 54.000 -0.555 0.000 0.805 369 D CB -1.000 39.493 40.800 -0.511 0.000 1.098 369 D HN 0.770 nan 8.370 nan 0.000 0.426 370 T N -4.230 110.228 114.554 -0.159 0.000 2.910 370 T HA 0.456 4.806 4.350 -0.000 0.000 0.287 370 T C 1.080 175.742 174.700 -0.063 0.000 1.050 370 T CA -0.714 61.341 62.100 -0.075 0.000 1.011 370 T CB 0.901 69.766 68.868 -0.005 0.000 1.195 370 T HN -0.065 nan 8.240 nan 0.000 0.540 371 Y N -0.666 119.578 120.300 -0.094 0.000 2.639 371 Y HA 0.018 4.568 4.550 -0.000 0.000 0.297 371 Y C 2.009 177.850 175.900 -0.099 0.000 1.151 371 Y CA 0.831 58.868 58.100 -0.105 0.000 1.335 371 Y CB -0.481 37.893 38.460 -0.144 0.000 0.994 371 Y HN 0.818 nan 8.280 nan 0.000 0.548 372 Y N -0.837 119.441 120.300 -0.037 0.000 2.224 372 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 372 Y C 2.174 178.021 175.900 -0.088 0.000 1.146 372 Y CA 1.520 59.581 58.100 -0.066 0.000 1.182 372 Y CB -0.212 38.229 38.460 -0.032 0.000 0.983 372 Y HN -0.095 nan 8.280 nan 0.000 0.524 373 V N -1.274 118.682 119.914 0.070 0.000 2.358 373 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 373 V C 2.221 178.229 176.094 -0.144 0.000 1.047 373 V CA 1.615 63.966 62.300 0.086 0.000 1.035 373 V CB -0.777 31.138 31.823 0.153 0.000 0.658 373 V HN 0.295 nan 8.190 nan 0.000 0.452 374 V N 0.655 120.333 119.914 -0.394 0.000 2.392 374 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 374 V C 2.685 178.324 176.094 -0.759 0.000 1.059 374 V CA 2.028 63.786 62.300 -0.903 0.000 1.051 374 V CB -1.286 30.137 31.823 -0.667 0.000 0.658 374 V HN 0.549 nan 8.190 nan 0.000 0.455 375 A N 0.018 122.546 122.820 -0.486 0.000 1.872 375 A HA -0.245 4.075 4.320 -0.000 0.000 0.214 375 A C 2.143 179.446 177.584 -0.468 0.000 1.187 375 A CA 2.003 53.713 52.037 -0.544 0.000 0.614 375 A CB -0.833 17.572 19.000 -0.992 0.000 0.826 375 A HN 0.756 nan 8.150 nan 0.000 0.442 376 H N 0.250 119.028 119.070 -0.486 0.000 2.289 376 H HA -0.234 4.322 4.556 -0.000 0.000 0.296 376 H C 1.675 176.884 175.328 -0.198 0.000 1.091 376 H CA 2.556 58.421 56.048 -0.306 0.000 1.274 376 H CB -0.743 28.913 29.762 -0.177 0.000 1.364 376 H HN 0.603 nan 8.280 nan 0.000 0.490 377 F N -1.524 118.162 119.950 -0.440 0.000 2.456 377 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 377 F C 1.787 177.206 175.800 -0.635 0.000 1.104 377 F CA 0.725 58.343 58.000 -0.637 0.000 1.435 377 F CB -0.598 38.157 39.000 -0.408 0.000 1.078 377 F HN 0.166 nan 8.300 nan 0.000 0.546 378 H N -1.588 117.077 119.070 -0.676 0.000 2.502 378 H HA 0.009 4.565 4.556 -0.000 0.000 0.283 378 H C 1.359 176.256 175.328 -0.718 0.000 1.015 378 H CA 1.547 57.063 56.048 -0.886 0.000 1.298 378 H CB -0.247 28.326 29.762 -1.980 0.000 1.411 378 H HN 0.261 nan 8.280 nan 0.000 0.556 379 Y N 0.065 120.041 120.300 -0.541 0.000 2.163 379 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 379 Y C 2.513 178.175 175.900 -0.395 0.000 1.136 379 Y CA 1.395 59.243 58.100 -0.421 0.000 1.147 379 Y CB -0.354 37.895 38.460 -0.351 0.000 0.987 379 Y HN 0.142 nan 8.280 nan 0.000 0.509 380 V N -2.619 117.129 119.914 -0.276 0.000 2.871 380 V HA -0.113 4.007 4.120 -0.000 0.000 0.256 380 V C 1.649 177.651 176.094 -0.153 0.000 1.082 380 V CA 1.360 63.531 62.300 -0.214 0.000 1.105 380 V CB -0.664 30.983 31.823 -0.293 0.000 0.713 380 V HN 0.346 nan 8.190 nan 0.000 0.473 381 L N -0.521 120.564 121.223 -0.229 0.000 2.435 381 L HA 0.194 4.534 4.340 -0.000 0.000 0.195 381 L C 2.633 179.434 176.870 -0.115 0.000 1.072 381 L CA 1.129 55.859 54.840 -0.184 0.000 0.833 381 L CB -0.378 41.522 42.059 -0.266 0.000 1.081 381 L HN 0.187 nan 8.230 nan 0.000 0.485 382 S N -0.625 114.973 115.700 -0.169 0.000 2.481 382 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 382 S C 1.475 176.035 174.600 -0.066 0.000 0.996 382 S CA 1.020 59.195 58.200 -0.042 0.000 0.942 382 S CB 0.075 63.242 63.200 -0.055 0.000 0.768 382 S HN 0.268 nan 8.310 nan 0.000 0.520 383 M N -1.197 118.212 119.600 -0.318 0.000 2.327 383 M HA 0.275 4.755 4.480 -0.000 0.000 0.365 383 M C 1.175 177.145 176.300 -0.549 0.000 0.992 383 M CA -0.009 54.789 55.300 -0.837 0.000 0.985 383 M CB 1.357 33.400 32.600 -0.928 0.000 1.673 383 M HN 0.266 nan 8.290 nan 0.000 0.586 384 G N 0.080 108.798 108.800 -0.137 0.000 2.446 384 G HA2 0.359 4.319 3.960 -0.000 0.000 0.200 384 G HA3 0.359 4.319 3.960 -0.000 0.000 0.200 384 G C 1.243 176.380 174.900 0.395 0.000 1.707 384 G CA 0.648 45.764 45.100 0.027 0.000 0.697 384 G HN 0.235 nan 8.290 nan 0.000 0.675 385 A N 0.207 123.154 122.820 0.210 0.000 1.884 385 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 385 A C 2.540 180.239 177.584 0.192 0.000 1.197 385 A CA 2.558 54.691 52.037 0.159 0.000 0.637 385 A CB -1.009 17.998 19.000 0.013 0.000 0.827 385 A HN 0.462 nan 8.150 nan 0.000 0.450 386 V N -1.556 118.481 119.914 0.205 0.000 2.427 386 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 386 V C 2.292 178.565 176.094 0.298 0.000 1.051 386 V CA 1.877 64.307 62.300 0.217 0.000 1.048 386 V CB -0.828 31.134 31.823 0.233 0.000 0.666 386 V HN 0.617 nan 8.190 nan 0.000 0.456 387 F N 0.167 120.241 119.950 0.208 0.000 2.186 387 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 387 F C 2.432 178.347 175.800 0.192 0.000 1.090 387 F CA 0.871 59.078 58.000 0.345 0.000 1.307 387 F CB -0.243 39.129 39.000 0.620 0.000 1.019 387 F HN 0.150 nan 8.300 nan 0.000 0.489 388 A N 0.344 123.364 122.820 0.334 0.000 1.929 388 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 388 A C 2.070 179.612 177.584 -0.069 0.000 1.176 388 A CA 1.160 53.194 52.037 -0.006 0.000 0.628 388 A CB -0.898 18.025 19.000 -0.129 0.000 0.816 388 A HN 0.380 nan 8.150 nan 0.000 0.444 389 I N -0.813 119.757 120.570 0.000 0.000 2.226 389 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 389 I C 2.540 178.643 176.117 -0.023 0.000 1.100 389 I CA 1.140 62.452 61.300 0.020 0.000 1.374 389 I CB -0.248 37.822 38.000 0.117 0.000 1.057 389 I HN 0.241 nan 8.210 nan 0.000 0.413 390 M N 0.269 119.699 119.600 -0.283 0.000 2.175 390 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 390 M C 2.349 178.332 176.300 -0.528 0.000 1.063 390 M CA 1.674 56.597 55.300 -0.628 0.000 1.119 390 M CB -1.904 29.603 32.600 -1.822 0.000 1.377 390 M HN 0.282 nan 8.290 nan 0.000 0.415 391 G N -0.435 108.117 108.800 -0.413 0.000 2.414 391 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.215 391 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.215 391 G C 1.598 176.493 174.900 -0.008 0.000 1.188 391 G CA 0.925 45.972 45.100 -0.089 0.000 0.783 391 G HN 0.532 nan 8.290 nan 0.000 0.537 392 G N 0.449 109.218 108.800 -0.051 0.000 2.469 392 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 392 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 392 G C 1.633 176.769 174.900 0.394 0.000 1.150 392 G CA 1.074 46.194 45.100 0.033 0.000 0.763 392 G HN 0.362 nan 8.290 nan 0.000 0.561 393 F N 1.786 121.931 119.950 0.324 0.000 2.075 393 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 393 F C 2.808 178.747 175.800 0.232 0.000 1.113 393 F CA 2.142 60.422 58.000 0.466 0.000 1.218 393 F CB -0.592 38.588 39.000 0.300 0.000 0.984 393 F HN 0.082 nan 8.300 nan 0.000 0.472 394 V N -0.788 119.204 119.914 0.130 0.000 2.392 394 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 394 V C 2.415 178.512 176.094 0.005 0.000 1.059 394 V CA 2.553 64.860 62.300 0.012 0.000 1.051 394 V CB -1.471 30.452 31.823 0.165 0.000 0.658 394 V HN 0.602 nan 8.190 nan 0.000 0.455 395 H N -1.069 117.953 119.070 -0.080 0.000 2.357 395 H HA -0.110 4.446 4.556 -0.000 0.000 0.301 395 H C 1.776 176.969 175.328 -0.225 0.000 1.082 395 H CA 2.326 58.263 56.048 -0.185 0.000 1.342 395 H CB -0.224 29.307 29.762 -0.384 0.000 1.389 395 H HN 0.594 nan 8.280 nan 0.000 0.511 396 W N -0.455 120.589 121.300 -0.426 0.000 3.220 396 W HA 0.074 4.734 4.660 -0.000 0.000 0.328 396 W C 1.385 177.150 176.519 -1.257 0.000 1.205 396 W CA -0.379 56.379 57.345 -0.979 0.000 1.773 396 W CB -0.686 28.091 29.460 -1.139 0.000 1.086 396 W HN 0.206 nan 8.180 nan 0.000 0.622 397 F N 2.882 122.381 119.950 -0.750 0.000 2.065 397 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 397 F C -0.710 174.778 175.800 -0.521 0.000 1.112 397 F CA 2.049 59.601 58.000 -0.745 0.000 1.212 397 F CB -1.416 37.120 39.000 -0.773 0.000 0.975 397 F HN -0.259 nan 8.300 nan 0.000 0.476 398 P HA -0.211 nan 4.420 nan 0.000 0.216 398 P C 1.817 178.937 177.300 -0.301 0.000 1.153 398 P CA 1.454 64.404 63.100 -0.250 0.000 0.858 398 P CB -0.143 31.589 31.700 0.054 0.000 0.789 399 L N -1.501 119.444 121.223 -0.463 0.000 2.017 399 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 399 L C 2.004 178.542 176.870 -0.553 0.000 1.073 399 L CA 2.083 56.523 54.840 -0.667 0.000 0.745 399 L CB -1.360 39.890 42.059 -1.347 0.000 0.894 399 L HN -0.140 nan 8.230 nan 0.000 0.432 400 F N -0.772 118.690 119.950 -0.813 0.000 2.293 400 F HA -0.007 4.520 4.527 -0.000 0.000 0.297 400 F C 2.739 178.215 175.800 -0.540 0.000 1.089 400 F CA 0.905 58.290 58.000 -1.026 0.000 1.377 400 F CB -1.542 36.746 39.000 -1.186 0.000 1.051 400 F HN 0.377 nan 8.300 nan 0.000 0.511 401 S N -1.581 113.820 115.700 -0.498 0.000 2.514 401 S HA 0.425 4.895 4.470 -0.000 0.000 0.223 401 S C 1.883 176.179 174.600 -0.506 0.000 1.046 401 S CA 0.528 58.457 58.200 -0.451 0.000 0.914 401 S CB 0.342 63.015 63.200 -0.879 0.000 0.807 401 S HN 0.497 nan 8.310 nan 0.000 0.497 402 G N 0.077 108.582 108.800 -0.492 0.000 2.199 402 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.254 402 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.254 402 G C -0.174 174.423 174.900 -0.506 0.000 0.982 402 G CA 0.481 45.301 45.100 -0.467 0.000 0.632 402 G HN 0.546 nan 8.290 nan 0.000 0.529 403 Y N 1.169 121.324 120.300 -0.240 0.000 2.496 403 Y HA 0.679 5.229 4.550 -0.000 0.000 0.331 403 Y C 1.005 176.852 175.900 -0.087 0.000 1.140 403 Y CA -0.504 57.507 58.100 -0.149 0.000 1.166 403 Y CB 1.527 39.888 38.460 -0.167 0.000 1.249 403 Y HN 0.298 nan 8.280 nan 0.000 0.479 404 T N -0.410 114.266 114.554 0.203 0.000 2.945 404 T HA 0.761 5.111 4.350 -0.000 0.000 0.286 404 T C -0.589 174.202 174.700 0.153 0.000 1.025 404 T CA -0.897 61.301 62.100 0.163 0.000 1.039 404 T CB 0.930 69.856 68.868 0.098 0.000 1.068 404 T HN 0.475 nan 8.240 nan 0.000 0.497 405 L N 1.984 123.274 121.223 0.112 0.000 2.360 405 L HA 0.419 4.759 4.340 -0.000 0.000 0.271 405 L C 1.006 177.914 176.870 0.063 0.000 1.057 405 L CA -1.122 53.731 54.840 0.021 0.000 0.803 405 L CB 0.940 42.969 42.059 -0.050 0.000 1.207 405 L HN 0.738 nan 8.230 nan 0.000 0.445 406 N N 1.466 120.221 118.700 0.092 0.000 2.416 406 N HA -0.076 4.664 4.740 -0.000 0.000 0.271 406 N C 0.143 175.758 175.510 0.175 0.000 1.245 406 N CA -0.009 53.140 53.050 0.165 0.000 0.940 406 N CB 0.888 39.575 38.487 0.334 0.000 1.175 406 N HN 0.577 nan 8.380 nan 0.000 0.483 407 D N 2.307 122.773 120.400 0.110 0.000 2.149 407 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 407 D C 1.292 177.652 176.300 0.099 0.000 0.990 407 D CA 1.514 55.570 54.000 0.093 0.000 0.839 407 D CB 0.170 41.002 40.800 0.053 0.000 0.948 407 D HN 0.531 nan 8.370 nan 0.000 0.460 408 T N -0.876 113.714 114.554 0.060 0.000 2.777 408 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 408 T C 1.707 176.447 174.700 0.067 0.000 1.040 408 T CA 0.829 62.925 62.100 -0.007 0.000 1.141 408 T CB -0.406 68.385 68.868 -0.127 0.000 0.868 408 T HN 0.342 nan 8.240 nan 0.000 0.444 409 W N 1.264 122.630 121.300 0.111 0.000 2.355 409 W HA -0.064 4.596 4.660 -0.000 0.000 0.309 409 W C 2.819 179.458 176.519 0.200 0.000 1.206 409 W CA 0.564 58.008 57.345 0.164 0.000 1.284 409 W CB -0.263 29.310 29.460 0.189 0.000 1.145 409 W HN 0.183 nan 8.180 nan 0.000 0.502 410 A N 0.171 123.252 122.820 0.435 0.000 2.019 410 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 410 A C 1.792 179.594 177.584 0.365 0.000 1.164 410 A CA 1.717 54.001 52.037 0.413 0.000 0.644 410 A CB -0.529 18.662 19.000 0.318 0.000 0.805 410 A HN 0.317 nan 8.150 nan 0.000 0.449 411 K N -0.682 119.858 120.400 0.234 0.000 2.116 411 K HA 0.073 4.393 4.320 -0.000 0.000 0.203 411 K C 1.688 178.398 176.600 0.182 0.000 1.052 411 K CA 1.172 57.544 56.287 0.142 0.000 0.952 411 K CB -0.250 32.279 32.500 0.050 0.000 0.729 411 K HN 0.495 nan 8.250 nan 0.000 0.446 412 I N 0.759 121.457 120.570 0.214 0.000 2.226 412 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 412 I C 2.673 178.944 176.117 0.257 0.000 1.100 412 I CA 1.243 62.670 61.300 0.213 0.000 1.374 412 I CB -0.357 37.809 38.000 0.277 0.000 1.057 412 I HN 0.328 nan 8.210 nan 0.000 0.413 413 H N 0.752 119.995 119.070 0.288 0.000 2.321 413 H HA -0.266 4.290 4.556 -0.000 0.000 0.300 413 H C 2.298 177.754 175.328 0.214 0.000 1.087 413 H CA 2.122 58.344 56.048 0.291 0.000 1.319 413 H CB -0.251 29.732 29.762 0.369 0.000 1.379 413 H HN 0.326 nan 8.280 nan 0.000 0.501 414 F N 1.761 121.544 119.950 -0.277 0.000 2.065 414 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 414 F C 2.662 178.194 175.800 -0.448 0.000 1.112 414 F CA 2.138 59.663 58.000 -0.791 0.000 1.212 414 F CB -0.864 37.557 39.000 -0.965 0.000 0.975 414 F HN 0.237 nan 8.300 nan 0.000 0.476 415 A N 0.561 123.145 122.820 -0.392 0.000 1.902 415 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 415 A C 2.306 179.764 177.584 -0.210 0.000 1.181 415 A CA 1.923 53.744 52.037 -0.360 0.000 0.623 415 A CB -1.242 17.699 19.000 -0.099 0.000 0.818 415 A HN 0.531 nan 8.150 nan 0.000 0.443 416 I N -1.455 119.047 120.570 -0.113 0.000 2.179 416 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 416 I C 2.633 178.721 176.117 -0.049 0.000 1.088 416 I CA 1.903 63.188 61.300 -0.025 0.000 1.357 416 I CB -0.189 37.848 38.000 0.062 0.000 1.051 416 I HN 0.413 nan 8.210 nan 0.000 0.409 417 M N 0.193 119.715 119.600 -0.130 0.000 2.175 417 M HA -0.214 4.266 4.480 -0.000 0.000 0.264 417 M C 2.047 178.330 176.300 -0.028 0.000 1.063 417 M CA 1.772 57.043 55.300 -0.048 0.000 1.119 417 M CB -0.561 32.034 32.600 -0.008 0.000 1.377 417 M HN 0.200 nan 8.290 nan 0.000 0.415 418 F N -0.481 119.245 119.950 -0.373 0.000 2.171 418 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 418 F C 1.703 177.430 175.800 -0.122 0.000 1.090 418 F CA 1.678 59.510 58.000 -0.281 0.000 1.293 418 F CB -0.279 38.301 39.000 -0.701 0.000 1.013 418 F HN -0.013 nan 8.300 nan 0.000 0.486 419 V N 0.075 119.999 119.914 0.017 0.000 2.283 419 V HA -0.142 3.978 4.120 -0.000 0.000 0.243 419 V C 2.772 178.835 176.094 -0.053 0.000 1.039 419 V CA 1.787 64.092 62.300 0.007 0.000 1.016 419 V CB -1.562 30.286 31.823 0.043 0.000 0.650 419 V HN 0.492 nan 8.190 nan 0.000 0.449 420 G N 0.953 109.737 108.800 -0.026 0.000 2.491 420 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 420 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 420 G C 1.787 176.646 174.900 -0.068 0.000 1.180 420 G CA 1.970 47.056 45.100 -0.023 0.000 0.774 420 G HN 0.577 nan 8.290 nan 0.000 0.562 421 V N -0.659 119.229 119.914 -0.044 0.000 2.407 421 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 421 V C 2.244 178.275 176.094 -0.104 0.000 1.055 421 V CA 2.239 64.532 62.300 -0.011 0.000 1.049 421 V CB -0.665 31.200 31.823 0.070 0.000 0.662 421 V HN 0.291 nan 8.190 nan 0.000 0.455 422 N N -0.063 118.503 118.700 -0.223 0.000 2.270 422 N HA -0.054 4.686 4.740 -0.000 0.000 0.181 422 N C 1.840 177.324 175.510 -0.043 0.000 1.016 422 N CA 1.958 54.895 53.050 -0.188 0.000 0.870 422 N CB -0.188 38.109 38.487 -0.317 0.000 0.979 422 N HN 0.582 nan 8.380 nan 0.000 0.431 423 M N 0.815 120.371 119.600 -0.072 0.000 2.175 423 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 423 M C 1.561 177.803 176.300 -0.097 0.000 1.063 423 M CA 1.227 56.510 55.300 -0.028 0.000 1.119 423 M CB -0.069 32.520 32.600 -0.018 0.000 1.377 423 M HN 0.003 nan 8.290 nan 0.000 0.415 424 T N -0.049 114.350 114.554 -0.258 0.000 2.777 424 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 424 T C 1.171 175.489 174.700 -0.637 0.000 1.040 424 T CA 1.516 63.273 62.100 -0.571 0.000 1.141 424 T CB -0.314 67.934 68.868 -1.032 0.000 0.868 424 T HN 0.415 nan 8.240 nan 0.000 0.444 425 F N -0.910 118.987 119.950 -0.088 0.000 2.678 425 F HA 0.346 4.873 4.527 -0.000 0.000 0.291 425 F C 1.742 177.513 175.800 -0.049 0.000 1.123 425 F CA -0.640 57.302 58.000 -0.097 0.000 1.395 425 F CB -0.136 38.793 39.000 -0.118 0.000 1.121 425 F HN -0.008 nan 8.300 nan 0.000 0.592 426 F N 2.928 122.918 119.950 0.067 0.000 2.069 426 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 426 F C -0.821 174.744 175.800 -0.391 0.000 1.113 426 F CA 1.209 59.196 58.000 -0.022 0.000 1.214 426 F CB -1.741 37.250 39.000 -0.015 0.000 0.978 426 F HN -0.165 nan 8.300 nan 0.000 0.474 427 P HA -0.165 nan 4.420 nan 0.000 0.225 427 P C 1.113 178.060 177.300 -0.588 0.000 1.148 427 P CA 1.516 64.219 63.100 -0.660 0.000 0.779 427 P CB -0.228 31.392 31.700 -0.134 0.000 0.780 428 Q N -1.874 117.673 119.800 -0.421 0.000 2.369 428 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 428 Q C 1.686 177.477 176.000 -0.348 0.000 0.963 428 Q CA 0.909 56.541 55.803 -0.285 0.000 0.894 428 Q CB -0.568 28.128 28.738 -0.070 0.000 0.965 428 Q HN 0.524 nan 8.270 nan 0.000 0.475 429 H N -0.852 117.865 119.070 -0.589 0.000 2.353 429 H HA -0.151 4.405 4.556 -0.000 0.000 0.300 429 H C 1.384 176.550 175.328 -0.270 0.000 1.090 429 H CA 1.589 57.290 56.048 -0.578 0.000 1.327 429 H CB 0.071 29.261 29.762 -0.954 0.000 1.383 429 H HN 0.197 nan 8.280 nan 0.000 0.508 430 F N 0.397 120.207 119.950 -0.233 0.000 2.084 430 F HA -0.125 4.402 4.527 -0.000 0.000 0.296 430 F C 2.315 178.103 175.800 -0.020 0.000 1.111 430 F CA 0.802 58.674 58.000 -0.213 0.000 1.224 430 F CB -1.127 37.507 39.000 -0.610 0.000 0.991 430 F HN 0.056 nan 8.300 nan 0.000 0.471 431 L N -0.085 121.232 121.223 0.156 0.000 2.089 431 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 431 L C 2.675 179.575 176.870 0.051 0.000 1.079 431 L CA 1.607 56.494 54.840 0.078 0.000 0.758 431 L CB -1.386 40.575 42.059 -0.163 0.000 0.891 431 L HN 0.327 nan 8.230 nan 0.000 0.433 432 G N -0.389 108.478 108.800 0.112 0.000 2.394 432 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.214 432 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.214 432 G C 1.586 176.572 174.900 0.144 0.000 1.176 432 G CA 0.307 45.508 45.100 0.167 0.000 0.786 432 G HN 0.233 nan 8.290 nan 0.000 0.533 433 L N 1.661 122.989 121.223 0.176 0.000 2.083 433 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 433 L C 2.963 179.900 176.870 0.112 0.000 1.083 433 L CA 1.500 56.395 54.840 0.090 0.000 0.752 433 L CB -0.298 41.822 42.059 0.102 0.000 0.899 433 L HN 0.414 nan 8.230 nan 0.000 0.433 434 S N -0.858 114.952 115.700 0.183 0.000 2.593 434 S HA 0.207 4.677 4.470 -0.000 0.000 0.217 434 S C 1.384 176.157 174.600 0.287 0.000 0.966 434 S CA 0.291 58.641 58.200 0.251 0.000 0.914 434 S CB 0.411 63.828 63.200 0.361 0.000 0.776 434 S HN 0.547 nan 8.310 nan 0.000 0.523 435 G N 1.266 110.151 108.800 0.142 0.000 2.134 435 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.209 435 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.209 435 G C -0.113 174.731 174.900 -0.092 0.000 0.993 435 G CA 0.031 45.178 45.100 0.078 0.000 0.669 435 G HN 0.606 nan 8.290 nan 0.000 0.519 436 M N 1.681 121.066 119.600 -0.358 0.000 2.307 436 M HA 0.351 4.831 4.480 -0.000 0.000 0.346 436 M C -2.003 174.162 176.300 -0.224 0.000 1.552 436 M CA -1.264 53.673 55.300 -0.606 0.000 1.116 436 M CB 0.543 32.596 32.600 -0.912 0.000 1.889 436 M HN 0.016 nan 8.290 nan 0.000 0.460 437 P HA 0.188 nan 4.420 nan 0.000 0.274 437 P C -1.108 176.007 177.300 -0.307 0.000 1.246 437 P CA -0.168 62.655 63.100 -0.461 0.000 0.795 437 P CB 0.528 31.652 31.700 -0.960 0.000 1.006 438 R N 1.154 121.508 120.500 -0.244 0.000 2.582 438 R HA 0.341 4.681 4.340 -0.000 0.000 0.271 438 R C 0.414 176.739 176.300 0.041 0.000 1.078 438 R CA -0.356 55.647 56.100 -0.161 0.000 1.127 438 R CB 0.104 30.296 30.300 -0.180 0.000 1.038 438 R HN 0.410 nan 8.270 nan 0.000 0.500 439 R N -0.158 120.478 120.500 0.226 0.000 3.656 439 R HA -0.216 4.124 4.340 -0.000 0.000 0.297 439 R C -1.170 175.487 176.300 0.595 0.000 1.166 439 R CA 0.768 57.111 56.100 0.405 0.000 0.799 439 R CB -1.981 28.474 30.300 0.258 0.000 1.285 439 R HN 0.582 nan 8.270 nan 0.000 0.477 440 Y N -0.582 119.866 120.300 0.246 0.000 2.331 440 Y HA 0.154 4.704 4.550 -0.000 0.000 0.338 440 Y C 1.667 177.380 175.900 -0.313 0.000 0.992 440 Y CA -0.311 57.819 58.100 0.050 0.000 1.121 440 Y CB 1.628 40.151 38.460 0.105 0.000 1.184 440 Y HN 0.175 nan 8.280 nan 0.000 0.469 441 S N 0.224 115.627 115.700 -0.496 0.000 2.489 441 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 441 S C -0.023 174.362 174.600 -0.358 0.000 0.995 441 S CA 0.503 58.175 58.200 -0.879 0.000 0.934 441 S CB 0.153 63.021 63.200 -0.553 0.000 0.771 441 S HN 0.684 nan 8.310 nan 0.000 0.522 442 D N -0.476 119.807 120.400 -0.196 0.000 2.583 442 D HA 0.559 5.199 4.640 -0.000 0.000 0.248 442 D C -1.620 174.657 176.300 -0.038 0.000 1.209 442 D CA -0.851 53.006 54.000 -0.239 0.000 0.848 442 D CB 1.719 42.347 40.800 -0.286 0.000 1.431 442 D HN 0.253 nan 8.370 nan 0.000 0.436 443 Y N -2.026 118.332 120.300 0.096 0.000 2.588 443 Y HA 0.719 5.269 4.550 -0.000 0.000 0.343 443 Y C -2.666 173.376 175.900 0.236 0.000 1.065 443 Y CA -2.392 55.849 58.100 0.235 0.000 1.038 443 Y CB 0.001 38.595 38.460 0.224 0.000 1.297 443 Y HN 0.060 nan 8.280 nan 0.000 0.467 444 P HA 0.059 nan 4.420 nan 0.000 0.269 444 P C 0.053 177.482 177.300 0.215 0.000 1.217 444 P CA 0.155 63.398 63.100 0.239 0.000 0.783 444 P CB 0.866 32.675 31.700 0.182 0.000 0.898 445 D N 1.184 121.615 120.400 0.052 0.000 2.190 445 D HA -0.190 4.450 4.640 -0.000 0.000 0.200 445 D C 1.869 178.156 176.300 -0.020 0.000 0.992 445 D CA 1.899 55.917 54.000 0.031 0.000 0.854 445 D CB -0.681 40.104 40.800 -0.026 0.000 0.936 445 D HN 0.392 nan 8.370 nan 0.000 0.462 446 A N -0.085 122.621 122.820 -0.189 0.000 2.076 446 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 446 A C 1.269 178.688 177.584 -0.274 0.000 1.160 446 A CA 0.974 52.827 52.037 -0.307 0.000 0.653 446 A CB -0.820 17.911 19.000 -0.449 0.000 0.801 446 A HN 0.291 nan 8.150 nan 0.000 0.455 447 Y N 0.070 120.398 120.300 0.047 0.000 2.471 447 Y HA 0.075 4.625 4.550 -0.000 0.000 0.286 447 Y C 2.326 178.107 175.900 -0.198 0.000 1.188 447 Y CA 0.489 58.547 58.100 -0.070 0.000 1.286 447 Y CB -1.043 37.345 38.460 -0.120 0.000 1.072 447 Y HN 0.210 nan 8.280 nan 0.000 0.517 448 T N 0.011 114.598 114.554 0.055 0.000 2.737 448 T HA -0.252 4.098 4.350 -0.000 0.000 0.265 448 T C 2.090 176.731 174.700 -0.099 0.000 1.038 448 T CA 1.592 63.734 62.100 0.071 0.000 1.144 448 T CB -0.204 68.725 68.868 0.103 0.000 0.866 448 T HN 0.425 nan 8.240 nan 0.000 0.434 449 M N -0.350 119.089 119.600 -0.268 0.000 2.065 449 M HA -0.121 4.359 4.480 -0.000 0.000 0.259 449 M C 1.972 178.135 176.300 -0.227 0.000 1.069 449 M CA 1.912 56.987 55.300 -0.376 0.000 1.110 449 M CB -0.283 31.858 32.600 -0.765 0.000 1.328 449 M HN 0.410 nan 8.290 nan 0.000 0.405 450 W N 0.528 121.817 121.300 -0.019 0.000 2.342 450 W HA -0.175 4.485 4.660 -0.000 0.000 0.297 450 W C 2.197 178.643 176.519 -0.122 0.000 1.213 450 W CA 0.290 57.623 57.345 -0.020 0.000 1.251 450 W CB -0.666 28.817 29.460 0.037 0.000 1.136 450 W HN 0.352 nan 8.180 nan 0.000 0.526 451 N N -0.168 118.511 118.700 -0.036 0.000 2.188 451 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 451 N C 1.530 177.006 175.510 -0.057 0.000 1.018 451 N CA 1.911 54.849 53.050 -0.186 0.000 0.858 451 N CB -0.552 37.610 38.487 -0.542 0.000 0.989 451 N HN 0.105 nan 8.380 nan 0.000 0.426 452 T N 2.156 116.700 114.554 -0.018 0.000 2.674 452 T HA -0.014 4.336 4.350 -0.000 0.000 0.265 452 T C 2.160 176.863 174.700 0.006 0.000 1.039 452 T CA 0.707 62.805 62.100 -0.004 0.000 1.150 452 T CB -0.153 68.706 68.868 -0.016 0.000 0.864 452 T HN 0.159 nan 8.240 nan 0.000 0.427 453 I N 1.017 121.622 120.570 0.059 0.000 2.163 453 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 453 I C 2.820 178.961 176.117 0.040 0.000 1.085 453 I CA 1.155 62.512 61.300 0.095 0.000 1.347 453 I CB -0.520 37.627 38.000 0.245 0.000 1.044 453 I HN 0.249 nan 8.210 nan 0.000 0.408 454 S N 0.286 115.995 115.700 0.015 0.000 2.365 454 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 454 S C 2.227 176.760 174.600 -0.112 0.000 1.039 454 S CA 2.278 60.419 58.200 -0.099 0.000 1.033 454 S CB -0.225 62.890 63.200 -0.141 0.000 0.887 454 S HN 0.426 nan 8.310 nan 0.000 0.447 455 S N 0.875 116.545 115.700 -0.050 0.000 2.383 455 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 455 S C 1.890 176.512 174.600 0.037 0.000 1.026 455 S CA 1.408 59.612 58.200 0.007 0.000 0.981 455 S CB -0.359 62.853 63.200 0.020 0.000 0.818 455 S HN 0.508 nan 8.310 nan 0.000 0.472 456 M N 0.962 120.549 119.600 -0.021 0.000 2.117 456 M HA -0.088 4.392 4.480 -0.000 0.000 0.262 456 M C 2.472 178.795 176.300 0.039 0.000 1.065 456 M CA 1.548 56.830 55.300 -0.029 0.000 1.114 456 M CB -0.869 31.710 32.600 -0.036 0.000 1.361 456 M HN 0.479 nan 8.290 nan 0.000 0.408 457 G N -0.102 108.696 108.800 -0.003 0.000 2.469 457 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 457 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 457 G C 1.570 176.457 174.900 -0.021 0.000 1.150 457 G CA 1.445 46.524 45.100 -0.035 0.000 0.763 457 G HN 0.576 nan 8.290 nan 0.000 0.561 458 S N -0.060 115.627 115.700 -0.020 0.000 2.399 458 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 458 S C 2.121 176.769 174.600 0.080 0.000 1.022 458 S CA 1.138 59.335 58.200 -0.004 0.000 0.983 458 S CB -0.571 62.619 63.200 -0.017 0.000 0.803 458 S HN 0.319 nan 8.310 nan 0.000 0.480 459 F N 1.390 121.316 119.950 -0.040 0.000 2.259 459 F HA 0.194 4.721 4.527 -0.000 0.000 0.298 459 F C 2.216 178.016 175.800 0.000 0.000 1.088 459 F CA 0.786 58.778 58.000 -0.014 0.000 1.358 459 F CB -0.197 38.797 39.000 -0.010 0.000 1.040 459 F HN 0.197 nan 8.300 nan 0.000 0.505 460 I N -1.109 119.554 120.570 0.156 0.000 2.202 460 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 460 I C 2.437 178.596 176.117 0.070 0.000 1.091 460 I CA 1.133 62.490 61.300 0.096 0.000 1.368 460 I CB -0.709 37.330 38.000 0.065 0.000 1.058 460 I HN -0.025 nan 8.210 nan 0.000 0.410 461 S N 0.994 116.725 115.700 0.053 0.000 2.374 461 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 461 S C 1.939 176.570 174.600 0.052 0.000 1.037 461 S CA 1.482 59.720 58.200 0.062 0.000 1.024 461 S CB -0.481 62.751 63.200 0.054 0.000 0.861 461 S HN 0.307 nan 8.310 nan 0.000 0.456 462 L N 1.812 123.028 121.223 -0.012 0.000 2.013 462 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 462 L C 2.249 179.121 176.870 0.002 0.000 1.073 462 L CA 2.057 56.862 54.840 -0.057 0.000 0.753 462 L CB -1.473 40.460 42.059 -0.210 0.000 0.890 462 L HN 0.240 nan 8.230 nan 0.000 0.432 463 T N -0.030 114.544 114.554 0.034 0.000 2.684 463 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 463 T C 1.942 176.710 174.700 0.113 0.000 1.036 463 T CA 1.449 63.587 62.100 0.064 0.000 1.148 463 T CB -0.723 68.191 68.868 0.077 0.000 0.863 463 T HN 0.551 nan 8.240 nan 0.000 0.436 464 A N 1.032 123.941 122.820 0.148 0.000 1.892 464 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 464 A C 2.621 180.392 177.584 0.311 0.000 1.188 464 A CA 1.770 53.967 52.037 0.266 0.000 0.631 464 A CB -1.161 17.959 19.000 0.200 0.000 0.822 464 A HN 0.366 nan 8.150 nan 0.000 0.447 465 V N -0.209 119.814 119.914 0.181 0.000 2.358 465 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 465 V C 2.656 178.784 176.094 0.056 0.000 1.047 465 V CA 2.193 64.563 62.300 0.116 0.000 1.035 465 V CB -0.647 31.212 31.823 0.060 0.000 0.658 465 V HN 0.577 nan 8.190 nan 0.000 0.452 466 M N -0.982 118.643 119.600 0.042 0.000 2.132 466 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 466 M C 2.234 178.559 176.300 0.042 0.000 1.065 466 M CA 1.667 56.978 55.300 0.019 0.000 1.122 466 M CB -0.492 32.107 32.600 -0.002 0.000 1.365 466 M HN 0.334 nan 8.290 nan 0.000 0.411 467 L N 0.822 122.088 121.223 0.073 0.000 2.046 467 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 467 L C 2.501 179.406 176.870 0.058 0.000 1.077 467 L CA 1.752 56.643 54.840 0.085 0.000 0.747 467 L CB -0.563 41.592 42.059 0.159 0.000 0.896 467 L HN 0.310 nan 8.230 nan 0.000 0.432 468 M N -1.750 117.818 119.600 -0.053 0.000 2.149 468 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 468 M C 2.026 178.262 176.300 -0.108 0.000 1.064 468 M CA 2.046 57.191 55.300 -0.258 0.000 1.102 468 M CB -0.170 32.173 32.600 -0.428 0.000 1.369 468 M HN 0.178 nan 8.290 nan 0.000 0.408 469 V N 0.979 120.878 119.914 -0.025 0.000 2.255 469 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 469 V C 2.229 178.369 176.094 0.077 0.000 1.051 469 V CA 2.416 64.732 62.300 0.025 0.000 1.018 469 V CB -1.143 30.700 31.823 0.033 0.000 0.641 469 V HN 0.647 nan 8.190 nan 0.000 0.445 470 F N 0.783 120.709 119.950 -0.040 0.000 2.063 470 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 470 F C 2.165 177.965 175.800 0.001 0.000 1.109 470 F CA 2.102 60.093 58.000 -0.016 0.000 1.212 470 F CB -0.472 38.431 39.000 -0.161 0.000 0.973 470 F HN 0.080 nan 8.300 nan 0.000 0.480 471 I N 0.437 120.807 120.570 -0.333 0.000 2.194 471 I HA -0.369 3.801 4.170 -0.000 0.000 0.246 471 I C 2.469 178.372 176.117 -0.356 0.000 1.093 471 I CA 1.739 62.771 61.300 -0.446 0.000 1.355 471 I CB -0.566 37.330 38.000 -0.172 0.000 1.046 471 I HN 0.262 nan 8.210 nan 0.000 0.413 472 I N -0.593 119.860 120.570 -0.195 0.000 2.226 472 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 472 I C 2.487 178.618 176.117 0.024 0.000 1.100 472 I CA 1.653 62.881 61.300 -0.120 0.000 1.374 472 I CB -0.563 37.478 38.000 0.068 0.000 1.057 472 I HN 0.448 nan 8.210 nan 0.000 0.413 473 W N 2.454 123.687 121.300 -0.112 0.000 2.333 473 W HA -0.265 4.395 4.660 -0.000 0.000 0.316 473 W C 2.563 178.980 176.519 -0.169 0.000 1.215 473 W CA 1.948 59.252 57.345 -0.068 0.000 1.278 473 W CB -0.323 29.074 29.460 -0.105 0.000 1.154 473 W HN 0.063 nan 8.180 nan 0.000 0.486 474 E N 0.722 120.546 120.200 -0.627 0.000 2.085 474 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 474 E C 2.124 178.394 176.600 -0.551 0.000 0.994 474 E CA 1.848 57.746 56.400 -0.836 0.000 0.801 474 E CB -0.675 28.546 29.700 -0.798 0.000 0.743 474 E HN 0.341 nan 8.360 nan 0.000 0.453 475 A N 0.009 122.599 122.820 -0.383 0.000 1.908 475 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 475 A C 2.188 179.581 177.584 -0.318 0.000 1.181 475 A CA 1.358 53.239 52.037 -0.260 0.000 0.627 475 A CB -0.978 17.907 19.000 -0.193 0.000 0.818 475 A HN 0.354 nan 8.150 nan 0.000 0.445 476 F N -0.728 119.049 119.950 -0.288 0.000 2.512 476 F HA 0.095 4.622 4.527 -0.000 0.000 0.296 476 F C 2.624 178.122 175.800 -0.503 0.000 1.110 476 F CA 0.337 58.125 58.000 -0.353 0.000 1.446 476 F CB 0.151 39.095 39.000 -0.094 0.000 1.092 476 F HN 0.296 nan 8.300 nan 0.000 0.554 477 A N -0.898 121.630 122.820 -0.485 0.000 1.930 477 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 477 A C 2.217 179.554 177.584 -0.412 0.000 1.176 477 A CA 1.773 53.447 52.037 -0.605 0.000 0.632 477 A CB -0.668 17.561 19.000 -1.286 0.000 0.819 477 A HN 0.243 nan 8.150 nan 0.000 0.445 478 S N -0.912 114.552 115.700 -0.393 0.000 2.425 478 S HA 0.067 4.537 4.470 -0.000 0.000 0.225 478 S C 0.412 174.877 174.600 -0.225 0.000 1.024 478 S CA 0.509 58.560 58.200 -0.248 0.000 0.951 478 S CB -0.095 62.996 63.200 -0.182 0.000 0.796 478 S HN 0.572 nan 8.310 nan 0.000 0.498 479 K N 1.214 121.380 120.400 -0.391 0.000 3.393 479 K HA -0.158 4.162 4.320 -0.000 0.000 0.272 479 K C -0.955 175.631 176.600 -0.024 0.000 1.004 479 K CA 0.250 56.267 56.287 -0.451 0.000 0.764 479 K CB -1.167 31.182 32.500 -0.251 0.000 1.373 479 K HN 0.359 nan 8.250 nan 0.000 0.458 480 R N 1.800 122.322 120.500 0.036 0.000 2.272 480 R HA 0.092 4.432 4.340 -0.000 0.000 0.334 480 R C -0.048 176.401 176.300 0.248 0.000 1.117 480 R CA -0.098 56.076 56.100 0.123 0.000 0.966 480 R CB 0.404 30.748 30.300 0.072 0.000 1.049 480 R HN 0.247 nan 8.270 nan 0.000 0.477 481 E N 1.969 122.298 120.200 0.215 0.000 2.338 481 E HA 0.076 4.426 4.350 -0.000 0.000 0.272 481 E C -0.085 176.555 176.600 0.065 0.000 1.029 481 E CA -0.447 56.039 56.400 0.143 0.000 0.872 481 E CB 1.402 31.164 29.700 0.103 0.000 1.015 481 E HN 0.200 nan 8.360 nan 0.000 0.417 482 V N 4.813 124.740 119.914 0.021 0.000 2.673 482 V HA -0.100 4.020 4.120 -0.000 0.000 0.303 482 V C 1.229 177.336 176.094 0.022 0.000 1.046 482 V CA 0.665 62.978 62.300 0.022 0.000 1.126 482 V CB 0.440 32.278 31.823 0.025 0.000 0.934 482 V HN 0.708 nan 8.190 nan 0.000 0.487 483 L N 2.820 124.055 121.223 0.020 0.000 2.296 483 L HA 0.241 4.581 4.340 -0.000 0.000 0.193 483 L C 0.965 177.844 176.870 0.015 0.000 1.123 483 L CA 0.858 55.709 54.840 0.018 0.000 0.805 483 L CB 0.193 42.261 42.059 0.015 0.000 1.004 483 L HN 0.657 nan 8.230 nan 0.000 0.478 484 T N -0.623 113.929 114.554 -0.003 0.000 2.909 484 T HA 0.594 4.944 4.350 -0.000 0.000 0.299 484 T C -1.274 173.386 174.700 -0.068 0.000 1.073 484 T CA -0.296 61.793 62.100 -0.018 0.000 0.999 484 T CB 2.512 71.371 68.868 -0.015 0.000 1.098 484 T HN -0.239 nan 8.240 nan 0.000 0.477 485 V N 2.770 122.623 119.914 -0.102 0.000 2.789 485 V HA 0.454 4.574 4.120 -0.000 0.000 0.311 485 V C -0.486 175.513 176.094 -0.159 0.000 1.073 485 V CA -0.842 61.322 62.300 -0.228 0.000 0.921 485 V CB 2.228 33.767 31.823 -0.473 0.000 1.009 485 V HN 0.868 nan 8.190 nan 0.000 0.426 486 D N 2.534 122.843 120.400 -0.153 0.000 2.329 486 D HA 0.464 5.104 4.640 -0.000 0.000 0.246 486 D C 0.815 177.005 176.300 -0.183 0.000 1.111 486 D CA 0.121 54.030 54.000 -0.151 0.000 0.941 486 D CB 1.034 41.727 40.800 -0.178 0.000 1.169 486 D HN 0.541 nan 8.370 nan 0.000 0.441 487 L N 0.981 122.099 121.223 -0.176 0.000 4.291 487 L HA -0.307 4.033 4.340 -0.000 0.000 0.413 487 L C 1.640 178.511 176.870 0.002 0.000 1.162 487 L CA 0.766 55.505 54.840 -0.168 0.000 0.961 487 L CB -2.324 39.464 42.059 -0.453 0.000 2.095 487 L HN 0.637 nan 8.230 nan 0.000 0.838 488 T N -4.996 109.579 114.554 0.035 0.000 2.929 488 T HA -0.176 4.174 4.350 -0.000 0.000 0.271 488 T C 1.686 176.476 174.700 0.150 0.000 1.085 488 T CA 1.545 63.729 62.100 0.140 0.000 1.125 488 T CB -0.455 68.497 68.868 0.141 0.000 0.874 488 T HN 0.595 nan 8.240 nan 0.000 0.494 489 T N 0.375 114.981 114.554 0.088 0.000 2.977 489 T HA -0.059 4.291 4.350 -0.000 0.000 0.271 489 T C 1.650 176.412 174.700 0.104 0.000 1.105 489 T CA 1.332 63.484 62.100 0.086 0.000 1.116 489 T CB -0.812 68.083 68.868 0.046 0.000 0.878 489 T HN 0.658 nan 8.240 nan 0.000 0.509 490 T N -1.377 113.248 114.554 0.118 0.000 3.288 490 T HA 0.345 4.695 4.350 -0.000 0.000 0.293 490 T C 0.047 174.880 174.700 0.222 0.000 1.008 490 T CA -0.825 61.354 62.100 0.132 0.000 0.929 490 T CB -0.116 68.796 68.868 0.073 0.000 1.152 490 T HN 0.276 nan 8.240 nan 0.000 0.517 491 N N 1.379 120.260 118.700 0.303 0.000 2.716 491 N HA 0.178 4.918 4.740 -0.000 0.000 0.245 491 N C 0.393 176.193 175.510 0.484 0.000 1.495 491 N CA -0.249 53.086 53.050 0.475 0.000 0.759 491 N CB 1.722 40.597 38.487 0.647 0.000 1.261 491 N HN 0.061 nan 8.380 nan 0.000 0.515 492 L N 2.049 123.491 121.223 0.365 0.000 2.189 492 L HA -0.173 4.167 4.340 -0.000 0.000 0.214 492 L C 2.455 179.542 176.870 0.362 0.000 1.097 492 L CA 1.995 57.034 54.840 0.332 0.000 0.764 492 L CB -0.127 42.086 42.059 0.257 0.000 0.900 492 L HN 0.426 nan 8.230 nan 0.000 0.436 493 E N -1.483 118.918 120.200 0.335 0.000 2.265 493 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 493 E C 1.657 178.339 176.600 0.136 0.000 0.996 493 E CA 1.631 58.157 56.400 0.211 0.000 0.832 493 E CB -0.903 28.841 29.700 0.074 0.000 0.756 493 E HN 0.712 nan 8.360 nan 0.000 0.491 494 W N 0.190 121.632 121.300 0.237 0.000 3.197 494 W HA 0.208 4.868 4.660 -0.000 0.000 0.274 494 W C 1.610 178.208 176.519 0.131 0.000 1.297 494 W CA -0.575 56.865 57.345 0.158 0.000 1.662 494 W CB 0.056 29.591 29.460 0.125 0.000 1.106 494 W HN 0.058 nan 8.180 nan 0.000 0.663 495 L N 1.046 122.483 121.223 0.357 0.000 2.551 495 L HA -0.006 4.334 4.340 -0.000 0.000 0.228 495 L C 1.061 178.022 176.870 0.151 0.000 1.153 495 L CA 1.459 56.448 54.840 0.248 0.000 0.851 495 L CB -0.626 41.581 42.059 0.247 0.000 0.959 495 L HN 0.011 nan 8.230 nan 0.000 0.451 496 N N -0.029 118.748 118.700 0.128 0.000 2.273 496 N HA 0.238 4.978 4.740 -0.000 0.000 0.231 496 N C 0.685 176.236 175.510 0.069 0.000 1.134 496 N CA 0.731 53.804 53.050 0.039 0.000 0.856 496 N CB 0.601 39.059 38.487 -0.048 0.000 1.068 496 N HN 0.307 nan 8.380 nan 0.000 0.510 497 G N 0.530 109.402 108.800 0.120 0.000 2.828 497 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.463 497 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.463 497 G C -0.716 174.246 174.900 0.104 0.000 1.394 497 G CA -0.596 44.569 45.100 0.109 0.000 0.862 497 G HN 0.321 nan 8.290 nan 0.000 0.540 498 C N 2.339 121.679 119.300 0.067 0.000 2.407 498 C HA 0.677 5.137 4.460 -0.000 0.000 0.328 498 C C -1.553 173.402 174.990 -0.059 0.000 1.137 498 C CA -0.713 58.314 59.018 0.014 0.000 1.390 498 C CB 1.182 28.948 27.740 0.042 0.000 1.989 498 C HN 0.831 nan 8.230 nan 0.000 0.432 499 P HA 0.408 nan 4.420 nan 0.000 0.278 499 P C -2.627 174.722 177.300 0.082 0.000 1.258 499 P CA -1.346 61.772 63.100 0.031 0.000 0.811 499 P CB 0.220 31.973 31.700 0.087 0.000 1.063 500 P HA 0.212 nan 4.420 nan 0.000 0.274 500 P C -2.290 175.046 177.300 0.060 0.000 1.237 500 P CA -1.447 61.708 63.100 0.092 0.000 0.793 500 P CB -0.974 30.799 31.700 0.122 0.000 0.977 501 P HA -0.049 nan 4.420 nan 0.000 0.271 501 P C 0.811 178.109 177.300 -0.005 0.000 1.233 501 P CA -0.051 63.068 63.100 0.032 0.000 0.789 501 P CB 0.509 32.231 31.700 0.037 0.000 0.951 502 Y N 1.507 121.713 120.300 -0.157 0.000 2.030 502 Y HA -0.269 4.281 4.550 -0.000 0.000 0.272 502 Y C 1.049 176.718 175.900 -0.386 0.000 1.185 502 Y CA 1.870 59.773 58.100 -0.327 0.000 1.120 502 Y CB -0.787 37.452 38.460 -0.369 0.000 0.955 502 Y HN 0.427 nan 8.280 nan 0.000 0.495 503 H N -0.218 118.913 119.070 0.101 0.000 2.552 503 H HA 0.366 4.922 4.556 -0.000 0.000 0.311 503 H C -0.149 175.169 175.328 -0.017 0.000 1.071 503 H CA 0.049 56.112 56.048 0.025 0.000 1.307 503 H CB 0.968 30.777 29.762 0.078 0.000 1.416 503 H HN 0.085 nan 8.280 nan 0.000 0.464 504 T N -0.367 114.242 114.554 0.092 0.000 2.907 504 T HA 0.343 4.693 4.350 -0.000 0.000 0.292 504 T C -0.259 174.474 174.700 0.055 0.000 1.043 504 T CA -0.991 61.075 62.100 -0.056 0.000 1.003 504 T CB 0.948 69.747 68.868 -0.114 0.000 1.084 504 T HN 0.569 nan 8.240 nan 0.000 0.483 505 F N -0.256 119.738 119.950 0.073 0.000 3.093 505 F HA -0.220 4.307 4.527 -0.000 0.000 0.287 505 F C 1.366 177.190 175.800 0.041 0.000 0.882 505 F CA 0.620 58.652 58.000 0.053 0.000 1.063 505 F CB -2.503 36.520 39.000 0.038 0.000 1.097 505 F HN 0.819 nan 8.300 nan 0.000 0.604 506 E N 0.384 120.651 120.200 0.110 0.000 2.118 506 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 506 E C 1.062 177.705 176.600 0.072 0.000 0.992 506 E CA 1.468 57.908 56.400 0.066 0.000 0.804 506 E CB 0.001 29.708 29.700 0.012 0.000 0.741 506 E HN 0.662 nan 8.360 nan 0.000 0.458 507 E N 1.979 122.231 120.200 0.086 0.000 2.092 507 E HA 0.145 4.495 4.350 -0.000 0.000 0.271 507 E C -2.343 174.365 176.600 0.179 0.000 0.919 507 E CA -2.743 53.717 56.400 0.100 0.000 0.760 507 E CB 0.904 30.647 29.700 0.071 0.000 1.106 507 E HN -0.142 nan 8.360 nan 0.000 0.408 508 P HA -0.016 nan 4.420 nan 0.000 0.271 508 P C -0.139 177.285 177.300 0.208 0.000 1.233 508 P CA -0.317 62.897 63.100 0.189 0.000 0.789 508 P CB 0.467 32.215 31.700 0.081 0.000 0.951 509 T N -1.501 113.173 114.554 0.200 0.000 2.856 509 T HA 0.122 4.472 4.350 -0.000 0.000 0.306 509 T C -0.411 174.387 174.700 0.164 0.000 1.062 509 T CA -0.272 61.949 62.100 0.201 0.000 1.083 509 T CB 0.048 69.010 68.868 0.157 0.000 0.984 509 T HN 0.353 nan 8.240 nan 0.000 0.542 510 Y N 1.693 122.031 120.300 0.065 0.000 2.367 510 Y HA 0.534 5.084 4.550 -0.000 0.000 0.342 510 Y C -1.117 174.803 175.900 0.034 0.000 0.979 510 Y CA -0.856 57.270 58.100 0.042 0.000 1.161 510 Y CB 0.664 39.149 38.460 0.041 0.000 1.155 510 Y HN 0.571 nan 8.280 nan 0.000 0.503 511 V N 6.590 126.292 119.914 -0.353 0.000 2.482 511 V HA 0.250 4.370 4.120 -0.000 0.000 0.295 511 V C -0.586 175.269 176.094 -0.399 0.000 1.026 511 V CA -1.279 60.871 62.300 -0.250 0.000 0.856 511 V CB 1.512 33.271 31.823 -0.107 0.000 1.001 511 V HN 0.838 nan 8.190 nan 0.000 0.424 512 N N 3.013 121.520 118.700 -0.321 0.000 2.453 512 N HA 0.232 4.972 4.740 -0.000 0.000 0.253 512 N C 0.780 176.223 175.510 -0.111 0.000 1.252 512 N CA -0.481 52.440 53.050 -0.214 0.000 0.917 512 N CB 1.061 39.527 38.487 -0.036 0.000 1.117 512 N HN 0.573 nan 8.380 nan 0.000 0.442 513 L N 1.400 122.571 121.223 -0.086 0.000 2.307 513 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 513 L C 0.347 177.206 176.870 -0.020 0.000 1.099 513 L CA 1.043 55.855 54.840 -0.048 0.000 0.816 513 L CB -0.324 41.709 42.059 -0.043 0.000 0.952 513 L HN 0.720 nan 8.230 nan 0.000 0.455 514 K N 0.000 120.395 120.400 -0.009 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.290 56.287 0.006 0.000 0.838 514 K CB 0.000 32.505 32.500 0.009 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543