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 2o0r_1_B DATA FIRST_RESID 1 DATA SEQUENCE ATVSRLRPYA TTVFAEMSAL ATRIGAVNLG QGFPDEDGPP KMLQAAQDAI DATA SEQUENCE AGGVNQYPPG PGSAPLRRAI AAQRRRHFGV DYDPETEVLV TVGATEAIAA DATA SEQUENCE AVLGLVEPGS EVLLIEPFYD SYSPVVAMAG AHRVTVPLVP DGRGFALDAD DATA SEQUENCE ALRRAVTPRT RALIINSPHN PTGAVLSATE LAAIAEIAVA ANLVVITDEV DATA SEQUENCE YEHLVFDHAR HLPLAGFDGM AERTITISSA AXMFNCTGWK IGWACGPAEL DATA SEQUENCE IAGVRAAKQY LSYVGGAPFQ PAVALALDTE DAWVAALRNS LRARRDRLAA DATA SEQUENCE GLTEIGFAVH DSYGTYFLCA DPRPLGYDDS TEFCAALPEK VGVAAIPMSA DATA SEQUENCE FCDPAXXXXX XXXDVWNHLV RFTFCKRDDT LDEAIRRLSV LA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.009 0.000 1.274 1 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1 A CB 0.000 19.002 19.000 0.004 0.000 0.831 2 T N 0.392 114.952 114.554 0.009 0.000 2.816 2 T HA 0.681 5.033 4.350 0.004 0.000 0.299 2 T C -0.180 174.530 174.700 0.015 0.000 1.230 2 T CA 0.212 62.322 62.100 0.016 0.000 1.007 2 T CB 1.299 70.181 68.868 0.024 0.000 1.289 2 T HN 2.062 nan 8.240 nan 0.000 0.508 3 V N 2.065 121.992 119.914 0.021 0.000 2.872 3 V HA 0.313 4.435 4.120 0.004 0.000 0.307 3 V C 1.786 177.895 176.094 0.024 0.000 1.072 3 V CA 0.710 63.022 62.300 0.021 0.000 1.148 3 V CB 0.446 32.282 31.823 0.023 0.000 0.954 3 V HN 1.022 nan 8.190 nan 0.000 0.490 4 S N 2.967 118.678 115.700 0.019 0.000 2.381 4 S HA -0.270 4.203 4.470 0.004 0.000 0.230 4 S C 1.952 176.569 174.600 0.028 0.000 1.052 4 S CA 2.313 60.523 58.200 0.017 0.000 1.068 4 S CB -0.530 62.678 63.200 0.015 0.000 0.918 4 S HN 1.034 nan 8.310 nan 0.000 0.448 5 R N 0.311 120.840 120.500 0.048 0.000 2.280 5 R HA 0.122 4.465 4.340 0.004 0.000 0.207 5 R C 1.770 178.153 176.300 0.139 0.000 1.043 5 R CA 0.962 57.111 56.100 0.081 0.000 1.006 5 R CB -0.393 29.956 30.300 0.081 0.000 0.885 5 R HN 0.440 nan 8.270 nan 0.000 0.467 6 L N 0.093 121.386 121.223 0.116 0.000 2.616 6 L HA 0.237 4.579 4.340 0.004 0.000 0.229 6 L C 2.267 179.196 176.870 0.099 0.000 1.110 6 L CA -0.043 54.908 54.840 0.186 0.000 0.884 6 L CB 0.027 42.160 42.059 0.123 0.000 1.115 6 L HN 0.085 nan 8.230 nan 0.000 0.481 7 R N 0.816 121.323 120.500 0.011 0.000 2.113 7 R HA -0.201 4.141 4.340 0.004 0.000 0.244 7 R C -0.491 175.716 176.300 -0.154 0.000 1.142 7 R CA 1.955 58.025 56.100 -0.050 0.000 0.953 7 R CB -1.280 28.992 30.300 -0.046 0.000 0.860 7 R HN 0.264 nan 8.270 nan 0.000 0.438 8 P HA -0.155 nan 4.420 nan 0.000 0.221 8 P C 0.030 176.914 177.300 -0.694 0.000 1.145 8 P CA 1.428 64.159 63.100 -0.615 0.000 0.795 8 P CB 0.068 31.154 31.700 -1.022 0.000 0.775 9 Y N -2.919 117.378 120.300 -0.006 0.000 2.557 9 Y HA 0.474 5.027 4.550 0.005 0.000 0.247 9 Y C 2.113 178.007 175.900 -0.009 0.000 1.164 9 Y CA -0.202 57.893 58.100 -0.009 0.000 1.218 9 Y CB -0.512 37.938 38.460 -0.016 0.000 1.210 9 Y HN -0.150 nan 8.280 nan 0.000 0.529 10 A N 0.463 123.321 122.820 0.063 0.000 1.940 10 A HA -0.098 4.225 4.320 0.004 0.000 0.219 10 A C 1.437 179.047 177.584 0.043 0.000 1.176 10 A CA 1.909 53.977 52.037 0.050 0.000 0.631 10 A CB -0.838 18.173 19.000 0.018 0.000 0.814 10 A HN 0.314 nan 8.150 nan 0.000 0.446 11 T N -2.795 111.778 114.554 0.032 0.000 2.924 11 T HA 0.585 4.937 4.350 0.004 0.000 0.291 11 T C -0.353 174.377 174.700 0.051 0.000 1.045 11 T CA -0.055 62.066 62.100 0.034 0.000 1.015 11 T CB 1.654 70.530 68.868 0.012 0.000 1.103 11 T HN 0.421 nan 8.240 nan 0.000 0.496 12 T N -1.512 113.084 114.554 0.070 0.000 2.912 12 T HA 0.488 4.841 4.350 0.004 0.000 0.288 12 T C 1.052 175.778 174.700 0.042 0.000 1.030 12 T CA -0.637 61.531 62.100 0.113 0.000 1.020 12 T CB 1.617 70.644 68.868 0.265 0.000 1.056 12 T HN 0.490 nan 8.240 nan 0.000 0.480 13 V N 1.216 121.076 119.914 -0.091 0.000 2.594 13 V HA -0.020 4.103 4.120 0.004 0.000 0.253 13 V C 1.765 177.726 176.094 -0.222 0.000 1.069 13 V CA 1.575 63.742 62.300 -0.222 0.000 1.082 13 V CB -1.326 30.268 31.823 -0.381 0.000 0.680 13 V HN 0.865 nan 8.190 nan 0.000 0.469 14 F N 1.149 121.031 119.950 -0.114 0.000 2.069 14 F HA -0.176 4.353 4.527 0.005 0.000 0.298 14 F C 2.549 178.332 175.800 -0.028 0.000 1.113 14 F CA 2.035 59.987 58.000 -0.080 0.000 1.214 14 F CB -1.264 37.682 39.000 -0.091 0.000 0.978 14 F HN 0.239 nan 8.300 nan 0.000 0.474 15 A N -0.008 122.915 122.820 0.171 0.000 1.898 15 A HA -0.185 4.138 4.320 0.004 0.000 0.216 15 A C 2.055 179.667 177.584 0.047 0.000 1.181 15 A CA 1.713 53.809 52.037 0.099 0.000 0.620 15 A CB -0.819 18.229 19.000 0.080 0.000 0.819 15 A HN 0.491 nan 8.150 nan 0.000 0.442 16 E N -1.377 118.832 120.200 0.014 0.000 2.204 16 E HA -0.204 4.148 4.350 0.004 0.000 0.195 16 E C 1.844 178.429 176.600 -0.026 0.000 0.990 16 E CA 1.406 57.798 56.400 -0.013 0.000 0.821 16 E CB -0.212 29.466 29.700 -0.037 0.000 0.750 16 E HN 0.585 nan 8.360 nan 0.000 0.477 17 M N 0.142 119.718 119.600 -0.040 0.000 2.216 17 M HA -0.002 4.480 4.480 0.004 0.000 0.264 17 M C 2.189 178.485 176.300 -0.006 0.000 1.080 17 M CA 1.327 56.596 55.300 -0.052 0.000 1.153 17 M CB 0.139 32.674 32.600 -0.109 0.000 1.356 17 M HN -0.171 nan 8.290 nan 0.000 0.432 18 S N 0.183 115.906 115.700 0.038 0.000 2.399 18 S HA -0.036 4.437 4.470 0.004 0.000 0.231 18 S C 1.937 176.575 174.600 0.063 0.000 1.022 18 S CA 1.151 59.397 58.200 0.077 0.000 0.983 18 S CB -0.507 62.782 63.200 0.149 0.000 0.803 18 S HN 0.603 nan 8.310 nan 0.000 0.480 19 A N 1.116 123.963 122.820 0.047 0.000 1.897 19 A HA 0.118 4.441 4.320 0.004 0.000 0.215 19 A C 2.051 179.647 177.584 0.020 0.000 1.181 19 A CA 0.731 52.789 52.037 0.035 0.000 0.620 19 A CB -0.605 18.413 19.000 0.029 0.000 0.821 19 A HN 0.451 nan 8.150 nan 0.000 0.443 20 L N -0.415 120.811 121.223 0.006 0.000 1.955 20 L HA -0.216 4.127 4.340 0.004 0.000 0.213 20 L C 2.968 179.837 176.870 -0.003 0.000 1.072 20 L CA 1.727 56.564 54.840 -0.006 0.000 0.755 20 L CB -0.601 41.444 42.059 -0.024 0.000 0.888 20 L HN 0.423 nan 8.230 nan 0.000 0.432 21 A N -0.948 121.870 122.820 -0.003 0.000 1.917 21 A HA -0.273 4.050 4.320 0.004 0.000 0.219 21 A C 2.198 179.792 177.584 0.016 0.000 1.182 21 A CA 2.591 54.628 52.037 0.001 0.000 0.633 21 A CB -1.152 17.849 19.000 0.002 0.000 0.819 21 A HN 0.543 nan 8.150 nan 0.000 0.448 22 T N -1.237 113.336 114.554 0.030 0.000 2.720 22 T HA -0.089 4.263 4.350 0.004 0.000 0.268 22 T C 1.620 176.338 174.700 0.029 0.000 1.037 22 T CA 1.401 63.525 62.100 0.041 0.000 1.144 22 T CB -0.097 68.804 68.868 0.055 0.000 0.864 22 T HN 0.282 nan 8.240 nan 0.000 0.444 23 R N 1.006 121.518 120.500 0.021 0.000 2.816 23 R HA 0.269 4.612 4.340 0.004 0.000 0.382 23 R C 0.422 176.727 176.300 0.008 0.000 1.140 23 R CA -0.119 55.990 56.100 0.015 0.000 1.050 23 R CB -0.240 30.069 30.300 0.015 0.000 1.396 23 R HN 0.311 nan 8.270 nan 0.000 0.583 24 I N -0.815 119.758 120.570 0.004 0.000 3.228 24 I HA 0.098 4.271 4.170 0.004 0.000 0.279 24 I C 1.129 177.248 176.117 0.003 0.000 1.221 24 I CA 0.861 62.160 61.300 -0.001 0.000 1.458 24 I CB -0.418 37.576 38.000 -0.010 0.000 1.105 24 I HN 0.457 nan 8.210 nan 0.000 0.445 25 G N 2.186 110.991 108.800 0.009 0.000 2.225 25 G HA2 -0.177 3.785 3.960 0.004 0.000 0.264 25 G HA3 -0.177 3.785 3.960 0.004 0.000 0.264 25 G C 0.415 175.320 174.900 0.009 0.000 1.060 25 G CA 0.317 45.425 45.100 0.012 0.000 0.833 25 G HN 0.645 nan 8.290 nan 0.000 0.498 26 A N -0.325 122.497 122.820 0.004 0.000 2.331 26 A HA 0.746 5.069 4.320 0.004 0.000 0.283 26 A C 0.749 178.337 177.584 0.005 0.000 1.142 26 A CA -0.138 51.898 52.037 -0.001 0.000 0.812 26 A CB 1.162 20.153 19.000 -0.015 0.000 1.074 26 A HN 1.282 nan 8.150 nan 0.000 0.497 27 V N 3.310 123.229 119.914 0.008 0.000 2.540 27 V HA -0.022 4.101 4.120 0.004 0.000 0.297 27 V C 0.649 176.747 176.094 0.007 0.000 1.024 27 V CA -0.000 62.306 62.300 0.011 0.000 1.105 27 V CB 0.081 31.914 31.823 0.018 0.000 0.938 27 V HN 0.855 nan 8.190 nan 0.000 0.482 28 N N 5.513 124.210 118.700 -0.005 0.000 2.558 28 N HA 0.261 5.004 4.740 0.004 0.000 0.233 28 N C 0.083 175.573 175.510 -0.034 0.000 1.038 28 N CA -0.206 52.832 53.050 -0.020 0.000 0.934 28 N CB 0.722 39.195 38.487 -0.023 0.000 1.175 28 N HN 0.671 nan 8.380 nan 0.000 0.512 29 L N 1.939 123.166 121.223 0.006 0.000 2.791 29 L HA 0.324 4.666 4.340 0.004 0.000 0.239 29 L C 1.611 178.494 176.870 0.022 0.000 1.203 29 L CA -0.123 54.747 54.840 0.049 0.000 1.002 29 L CB 0.376 42.561 42.059 0.210 0.000 1.295 29 L HN 0.521 nan 8.230 nan 0.000 0.504 30 G N -0.565 108.225 108.800 -0.017 0.000 2.833 30 G HA2 -0.019 3.943 3.960 0.004 0.000 0.210 30 G HA3 -0.019 3.943 3.960 0.004 0.000 0.210 30 G C 0.675 175.622 174.900 0.078 0.000 1.139 30 G CA -0.227 44.873 45.100 0.001 0.000 0.771 30 G HN 0.471 nan 8.290 nan 0.000 0.535 31 Q N 0.142 119.927 119.800 -0.025 0.000 2.395 31 Q HA 0.385 4.728 4.340 0.004 0.000 0.271 31 Q C 0.797 176.813 176.000 0.026 0.000 1.026 31 Q CA 0.201 55.923 55.803 -0.134 0.000 0.900 31 Q CB 1.223 29.550 28.738 -0.685 0.000 1.266 31 Q HN -0.005 nan 8.270 nan 0.000 0.430 32 G N 2.729 111.649 108.800 0.200 0.000 3.284 32 G HA2 0.280 4.243 3.960 0.004 0.000 0.236 32 G HA3 0.280 4.243 3.960 0.004 0.000 0.236 32 G C -0.508 174.680 174.900 0.480 0.000 1.158 32 G CA -0.294 45.103 45.100 0.495 0.000 0.774 32 G HN 0.646 nan 8.290 nan 0.000 0.545 33 F N -1.261 118.800 119.950 0.184 0.000 2.613 33 F HA 0.802 5.332 4.527 0.004 0.000 0.314 33 F C -2.940 172.798 175.800 -0.103 0.000 1.075 33 F CA -3.821 54.241 58.000 0.103 0.000 0.945 33 F CB 1.309 40.363 39.000 0.090 0.000 1.310 33 F HN -0.246 nan 8.300 nan 0.000 0.467 34 P HA 0.199 nan 4.420 nan 0.000 0.277 34 P C -0.498 176.885 177.300 0.138 0.000 1.240 34 P CA -0.055 63.032 63.100 -0.022 0.000 0.798 34 P CB 1.545 33.279 31.700 0.056 0.000 0.979 35 D N -0.216 120.204 120.400 0.033 0.000 2.149 35 D HA -0.089 4.554 4.640 0.004 0.000 0.201 35 D C 0.911 177.269 176.300 0.097 0.000 0.972 35 D CA 1.316 55.366 54.000 0.084 0.000 0.835 35 D CB 0.181 40.999 40.800 0.029 0.000 0.966 35 D HN 0.597 nan 8.370 nan 0.000 0.476 36 E N 0.973 121.227 120.200 0.090 0.000 2.283 36 E HA 0.213 4.565 4.350 0.004 0.000 0.267 36 E C -0.457 176.219 176.600 0.127 0.000 1.045 36 E CA -0.689 55.778 56.400 0.111 0.000 0.884 36 E CB 1.413 31.188 29.700 0.123 0.000 1.106 36 E HN -0.144 nan 8.360 nan 0.000 0.408 37 D N 0.832 121.306 120.400 0.123 0.000 2.387 37 D HA 0.260 4.902 4.640 0.004 0.000 0.251 37 D C 0.384 176.761 176.300 0.128 0.000 1.141 37 D CA -0.188 53.850 54.000 0.064 0.000 0.987 37 D CB 1.239 42.053 40.800 0.023 0.000 1.116 37 D HN 0.614 nan 8.370 nan 0.000 0.491 38 G N -0.109 108.621 108.800 -0.117 0.000 2.516 38 G HA2 0.284 4.246 3.960 0.004 0.000 0.276 38 G HA3 0.284 4.246 3.960 0.004 0.000 0.276 38 G C -2.419 172.046 174.900 -0.724 0.000 1.390 38 G CA -0.720 44.124 45.100 -0.426 0.000 1.050 38 G HN 0.261 nan 8.290 nan 0.000 0.519 39 P HA 0.121 nan 4.420 nan 0.000 0.262 39 P C -1.864 175.159 177.300 -0.462 0.000 1.182 39 P CA -0.808 61.607 63.100 -1.142 0.000 0.761 39 P CB 0.685 31.788 31.700 -0.995 0.000 0.795 40 P HA -0.183 nan 4.420 nan 0.000 0.216 40 P C 1.059 178.305 177.300 -0.090 0.000 1.150 40 P CA 1.863 64.904 63.100 -0.098 0.000 0.843 40 P CB -0.034 31.653 31.700 -0.022 0.000 0.787 41 K N -1.474 118.854 120.400 -0.120 0.000 2.288 41 K HA -0.004 4.318 4.320 0.004 0.000 0.201 41 K C 2.110 178.657 176.600 -0.088 0.000 1.048 41 K CA 0.815 57.051 56.287 -0.084 0.000 0.956 41 K CB -0.355 32.097 32.500 -0.081 0.000 0.746 41 K HN 0.178 nan 8.250 nan 0.000 0.461 42 M N 0.420 119.927 119.600 -0.156 0.000 2.156 42 M HA -0.130 4.353 4.480 0.004 0.000 0.264 42 M C 1.529 177.902 176.300 0.121 0.000 1.067 42 M CA 1.319 56.561 55.300 -0.097 0.000 1.131 42 M CB 0.113 32.535 32.600 -0.296 0.000 1.368 42 M HN 0.043 nan 8.290 nan 0.000 0.416 43 L N 0.815 122.088 121.223 0.083 0.000 2.012 43 L HA -0.229 4.113 4.340 0.004 0.000 0.210 43 L C 2.577 179.539 176.870 0.154 0.000 1.073 43 L CA 1.900 56.867 54.840 0.212 0.000 0.748 43 L CB -1.179 40.940 42.059 0.100 0.000 0.891 43 L HN 0.390 nan 8.230 nan 0.000 0.431 44 Q N -0.635 119.204 119.800 0.065 0.000 2.124 44 Q HA -0.150 4.193 4.340 0.004 0.000 0.202 44 Q C 2.208 178.224 176.000 0.028 0.000 0.977 44 Q CA 1.909 57.735 55.803 0.037 0.000 0.850 44 Q CB -0.335 28.410 28.738 0.012 0.000 0.901 44 Q HN 0.468 nan 8.270 nan 0.000 0.429 45 A N 0.108 122.944 122.820 0.027 0.000 1.902 45 A HA -0.085 4.238 4.320 0.004 0.000 0.217 45 A C 2.264 179.847 177.584 -0.002 0.000 1.181 45 A CA 1.921 53.962 52.037 0.007 0.000 0.623 45 A CB -1.119 17.883 19.000 0.004 0.000 0.818 45 A HN 0.516 nan 8.150 nan 0.000 0.443 46 A N -0.854 121.988 122.820 0.037 0.000 1.898 46 A HA -0.159 4.163 4.320 0.004 0.000 0.216 46 A C 2.112 179.648 177.584 -0.080 0.000 1.181 46 A CA 1.557 53.558 52.037 -0.060 0.000 0.620 46 A CB -0.524 18.417 19.000 -0.099 0.000 0.819 46 A HN 0.638 nan 8.150 nan 0.000 0.442 47 Q N -0.251 119.545 119.800 -0.007 0.000 2.050 47 Q HA -0.192 4.151 4.340 0.004 0.000 0.202 47 Q C 1.471 177.445 176.000 -0.043 0.000 0.980 47 Q CA 1.591 57.383 55.803 -0.018 0.000 0.840 47 Q CB -0.229 28.520 28.738 0.018 0.000 0.898 47 Q HN 0.580 nan 8.270 nan 0.000 0.424 48 D N 0.303 120.682 120.400 -0.035 0.000 2.144 48 D HA -0.118 4.525 4.640 0.004 0.000 0.199 48 D C 1.745 178.007 176.300 -0.063 0.000 0.984 48 D CA 1.240 55.216 54.000 -0.041 0.000 0.834 48 D CB -0.228 40.554 40.800 -0.031 0.000 0.955 48 D HN 0.271 nan 8.370 nan 0.000 0.465 49 A N 0.729 123.499 122.820 -0.083 0.000 1.902 49 A HA -0.151 4.172 4.320 0.004 0.000 0.217 49 A C 2.364 179.869 177.584 -0.132 0.000 1.181 49 A CA 0.934 52.904 52.037 -0.111 0.000 0.623 49 A CB -0.717 18.198 19.000 -0.142 0.000 0.818 49 A HN 0.184 nan 8.150 nan 0.000 0.443 50 I N -0.273 120.206 120.570 -0.151 0.000 2.142 50 I HA -0.284 3.889 4.170 0.004 0.000 0.240 50 I C 2.961 179.015 176.117 -0.104 0.000 1.078 50 I CA 1.163 62.372 61.300 -0.152 0.000 1.343 50 I CB -0.318 37.591 38.000 -0.152 0.000 1.046 50 I HN 0.348 nan 8.210 nan 0.000 0.405 51 A N 0.480 123.252 122.820 -0.080 0.000 1.972 51 A HA -0.107 4.216 4.320 0.004 0.000 0.219 51 A C 2.172 179.722 177.584 -0.057 0.000 1.169 51 A CA 1.787 53.789 52.037 -0.059 0.000 0.635 51 A CB -1.138 17.835 19.000 -0.044 0.000 0.810 51 A HN 0.500 nan 8.150 nan 0.000 0.446 52 G N -2.118 106.644 108.800 -0.063 0.000 3.314 52 G HA2 0.400 4.363 3.960 0.004 0.000 0.238 52 G HA3 0.400 4.363 3.960 0.004 0.000 0.238 52 G C 1.021 175.882 174.900 -0.065 0.000 1.184 52 G CA 0.415 45.480 45.100 -0.057 0.000 0.806 52 G HN 1.574 nan 8.290 nan 0.000 0.536 53 G N -0.861 107.893 108.800 -0.077 0.000 2.136 53 G HA2 -0.264 3.699 3.960 0.004 0.000 0.242 53 G HA3 -0.264 3.699 3.960 0.004 0.000 0.242 53 G C 0.386 175.230 174.900 -0.093 0.000 0.989 53 G CA 0.108 45.160 45.100 -0.080 0.000 0.682 53 G HN 0.712 nan 8.290 nan 0.000 0.522 54 V N 1.421 121.269 119.914 -0.109 0.000 2.052 54 V HA 0.247 4.370 4.120 0.004 0.000 0.281 54 V C 0.880 176.878 176.094 -0.160 0.000 1.668 54 V CA 0.298 62.525 62.300 -0.121 0.000 1.621 54 V CB 0.022 31.771 31.823 -0.122 0.000 1.488 54 V HN 0.432 nan 8.190 nan 0.000 0.513 55 N N 0.593 119.205 118.700 -0.147 0.000 2.143 55 N HA 0.135 4.878 4.740 0.004 0.000 0.222 55 N C 0.425 175.834 175.510 -0.168 0.000 1.264 55 N CA -0.135 52.812 53.050 -0.171 0.000 0.897 55 N CB 1.122 39.515 38.487 -0.155 0.000 1.092 55 N HN 0.434 nan 8.380 nan 0.000 0.516 56 Q N 0.016 119.727 119.800 -0.148 0.000 2.194 56 Q HA 0.297 4.639 4.340 0.004 0.000 0.245 56 Q C -0.317 175.635 176.000 -0.081 0.000 0.993 56 Q CA -0.671 55.023 55.803 -0.182 0.000 0.930 56 Q CB 0.283 28.925 28.738 -0.159 0.000 1.238 56 Q HN 0.069 nan 8.270 nan 0.000 0.486 57 Y N 1.299 121.595 120.300 -0.006 0.000 2.865 57 Y HA -0.008 4.545 4.550 0.005 0.000 0.338 57 Y C -1.598 174.281 175.900 -0.035 0.000 1.269 57 Y CA -0.887 57.218 58.100 0.007 0.000 1.585 57 Y CB -1.124 37.417 38.460 0.136 0.000 1.224 57 Y HN 0.277 nan 8.280 nan 0.000 0.554 58 P HA 0.205 nan 4.420 nan 0.000 0.275 58 P C -2.519 174.758 177.300 -0.037 0.000 1.266 58 P CA -1.496 61.602 63.100 -0.004 0.000 0.793 58 P CB 0.078 31.751 31.700 -0.044 0.000 1.074 59 P HA 0.003 nan 4.420 nan 0.000 0.268 59 P C 1.251 178.461 177.300 -0.150 0.000 1.208 59 P CA 0.449 63.523 63.100 -0.043 0.000 0.777 59 P CB 0.141 31.824 31.700 -0.029 0.000 0.875 60 G N 3.737 112.446 108.800 -0.151 0.000 2.513 60 G HA2 -0.201 3.761 3.960 0.004 0.000 0.219 60 G HA3 -0.201 3.761 3.960 0.004 0.000 0.219 60 G C -0.841 173.929 174.900 -0.218 0.000 1.160 60 G CA 0.792 45.713 45.100 -0.298 0.000 0.767 60 G HN 0.509 nan 8.290 nan 0.000 0.571 61 P HA 0.234 nan 4.420 nan 0.000 0.249 61 P C 0.657 177.915 177.300 -0.070 0.000 1.229 61 P CA 1.124 64.175 63.100 -0.081 0.000 0.788 61 P CB 0.203 31.874 31.700 -0.048 0.000 1.072 62 G N 0.443 109.193 108.800 -0.085 0.000 2.576 62 G HA2 -0.003 3.959 3.960 0.004 0.000 0.686 62 G HA3 -0.003 3.959 3.960 0.004 0.000 0.686 62 G C -0.449 174.423 174.900 -0.047 0.000 1.242 62 G CA -0.382 44.685 45.100 -0.054 0.000 0.819 62 G HN 0.294 nan 8.290 nan 0.000 0.655 63 S N 0.638 116.315 115.700 -0.038 0.000 2.563 63 S HA 0.544 5.016 4.470 0.004 0.000 0.284 63 S C 1.916 176.493 174.600 -0.038 0.000 1.331 63 S CA 0.841 59.019 58.200 -0.036 0.000 1.047 63 S CB 1.479 64.659 63.200 -0.034 0.000 0.859 63 S HN 2.353 nan 8.310 nan 0.000 0.514 64 A N 4.145 126.945 122.820 -0.034 0.000 1.865 64 A HA 0.035 4.358 4.320 0.004 0.000 0.217 64 A C -0.225 177.334 177.584 -0.043 0.000 1.191 64 A CA 1.622 53.639 52.037 -0.034 0.000 0.623 64 A CB -2.224 16.760 19.000 -0.026 0.000 0.826 64 A HN 0.757 nan 8.150 nan 0.000 0.444 65 P HA -0.157 nan 4.420 nan 0.000 0.216 65 P C 1.618 178.879 177.300 -0.065 0.000 1.150 65 P CA 1.140 64.211 63.100 -0.048 0.000 0.843 65 P CB -0.051 31.624 31.700 -0.042 0.000 0.787 66 L N -0.744 120.440 121.223 -0.065 0.000 2.095 66 L HA 0.007 4.350 4.340 0.004 0.000 0.204 66 L C 2.291 179.077 176.870 -0.140 0.000 1.080 66 L CA 1.659 56.445 54.840 -0.089 0.000 0.759 66 L CB -0.878 41.152 42.059 -0.047 0.000 0.914 66 L HN -0.256 nan 8.230 nan 0.000 0.439 67 R N -0.557 119.879 120.500 -0.106 0.000 2.091 67 R HA -0.133 4.210 4.340 0.004 0.000 0.238 67 R C 2.391 178.622 176.300 -0.116 0.000 1.136 67 R CA 1.811 57.840 56.100 -0.118 0.000 0.959 67 R CB -0.308 29.949 30.300 -0.071 0.000 0.856 67 R HN 0.393 nan 8.270 nan 0.000 0.437 68 R N -0.062 120.388 120.500 -0.084 0.000 2.096 68 R HA -0.095 4.247 4.340 0.004 0.000 0.235 68 R C 2.281 178.524 176.300 -0.096 0.000 1.127 68 R CA 1.399 57.457 56.100 -0.070 0.000 0.968 68 R CB -0.305 29.964 30.300 -0.052 0.000 0.861 68 R HN 0.215 nan 8.270 nan 0.000 0.440 69 A N 1.022 123.768 122.820 -0.124 0.000 1.930 69 A HA -0.103 4.219 4.320 0.004 0.000 0.217 69 A C 2.113 179.569 177.584 -0.213 0.000 1.175 69 A CA 1.029 52.981 52.037 -0.141 0.000 0.627 69 A CB -0.348 18.574 19.000 -0.131 0.000 0.815 69 A HN 0.159 nan 8.150 nan 0.000 0.443 70 I N -0.192 120.181 120.570 -0.328 0.000 2.179 70 I HA -0.274 3.899 4.170 0.004 0.000 0.242 70 I C 2.973 178.953 176.117 -0.229 0.000 1.088 70 I CA 1.135 62.133 61.300 -0.504 0.000 1.357 70 I CB -0.303 37.218 38.000 -0.799 0.000 1.051 70 I HN 0.338 nan 8.210 nan 0.000 0.409 71 A N 0.602 123.351 122.820 -0.117 0.000 1.933 71 A HA -0.165 4.158 4.320 0.004 0.000 0.218 71 A C 2.509 180.099 177.584 0.010 0.000 1.175 71 A CA 1.866 53.926 52.037 0.040 0.000 0.628 71 A CB -0.860 18.172 19.000 0.054 0.000 0.814 71 A HN 0.441 nan 8.150 nan 0.000 0.444 72 A N -1.058 121.731 122.820 -0.052 0.000 1.930 72 A HA -0.184 4.139 4.320 0.004 0.000 0.217 72 A C 2.202 179.722 177.584 -0.106 0.000 1.175 72 A CA 1.718 53.718 52.037 -0.062 0.000 0.627 72 A CB -0.436 18.524 19.000 -0.067 0.000 0.815 72 A HN 0.590 nan 8.150 nan 0.000 0.443 73 Q N -0.402 119.307 119.800 -0.152 0.000 2.083 73 Q HA -0.128 4.214 4.340 0.004 0.000 0.198 73 Q C 2.118 177.971 176.000 -0.245 0.000 0.969 73 Q CA 0.948 56.573 55.803 -0.297 0.000 0.838 73 Q CB -0.273 28.310 28.738 -0.258 0.000 0.900 73 Q HN 0.530 nan 8.270 nan 0.000 0.436 74 R N 0.478 120.987 120.500 0.015 0.000 2.096 74 R HA -0.098 4.245 4.340 0.004 0.000 0.235 74 R C 2.412 178.811 176.300 0.166 0.000 1.127 74 R CA 1.285 57.539 56.100 0.257 0.000 0.968 74 R CB -0.453 30.116 30.300 0.449 0.000 0.861 74 R HN 0.297 nan 8.270 nan 0.000 0.440 75 R N 0.738 121.271 120.500 0.056 0.000 2.066 75 R HA -0.096 4.247 4.340 0.004 0.000 0.232 75 R C 2.373 178.666 176.300 -0.013 0.000 1.131 75 R CA 1.469 57.580 56.100 0.018 0.000 0.955 75 R CB -0.166 30.131 30.300 -0.005 0.000 0.851 75 R HN 0.040 nan 8.270 nan 0.000 0.432 76 R N -0.667 119.791 120.500 -0.070 0.000 2.083 76 R HA -0.169 4.173 4.340 0.004 0.000 0.237 76 R C 1.903 178.194 176.300 -0.016 0.000 1.137 76 R CA 2.156 58.222 56.100 -0.057 0.000 0.951 76 R CB -0.253 29.985 30.300 -0.102 0.000 0.851 76 R HN 0.532 nan 8.270 nan 0.000 0.434 77 H N -2.375 116.514 119.070 -0.301 0.000 2.448 77 H HA -0.008 4.550 4.556 0.004 0.000 0.292 77 H C 0.769 175.673 175.328 -0.707 0.000 1.035 77 H CA 1.190 56.833 56.048 -0.675 0.000 1.349 77 H CB 0.354 29.361 29.762 -1.259 0.000 1.425 77 H HN 0.247 nan 8.280 nan 0.000 0.539 78 F N -1.896 118.170 119.950 0.193 0.000 2.871 78 F HA 0.285 4.814 4.527 0.004 0.000 0.344 78 F C 1.498 177.323 175.800 0.042 0.000 1.078 78 F CA 0.194 58.265 58.000 0.119 0.000 1.149 78 F CB 1.337 40.425 39.000 0.147 0.000 1.087 78 F HN 0.086 nan 8.300 nan 0.000 0.557 79 G N 2.055 110.934 108.800 0.131 0.000 2.179 79 G HA2 -0.264 3.698 3.960 0.004 0.000 0.257 79 G HA3 -0.264 3.698 3.960 0.004 0.000 0.257 79 G C -0.162 174.749 174.900 0.018 0.000 1.010 79 G CA 0.439 45.572 45.100 0.055 0.000 0.736 79 G HN 0.357 nan 8.290 nan 0.000 0.513 80 V N -0.122 119.809 119.914 0.029 0.000 2.427 80 V HA 0.672 4.794 4.120 0.004 0.000 0.286 80 V C -0.672 175.286 176.094 -0.227 0.000 1.034 80 V CA -0.622 61.593 62.300 -0.142 0.000 0.893 80 V CB 1.874 33.591 31.823 -0.178 0.000 0.982 80 V HN 0.226 nan 8.190 nan 0.000 0.452 81 D N 5.663 125.888 120.400 -0.292 0.000 2.461 81 D HA 0.336 4.979 4.640 0.004 0.000 0.240 81 D C -1.080 175.073 176.300 -0.245 0.000 1.094 81 D CA -0.021 53.865 54.000 -0.190 0.000 0.868 81 D CB 0.438 41.179 40.800 -0.099 0.000 1.062 81 D HN 0.531 nan 8.370 nan 0.000 0.530 82 Y N 1.174 121.488 120.300 0.023 0.000 2.352 82 Y HA 0.227 4.780 4.550 0.005 0.000 0.326 82 Y C 0.900 176.800 175.900 0.001 0.000 1.166 82 Y CA -0.956 57.154 58.100 0.017 0.000 1.182 82 Y CB 1.017 39.489 38.460 0.021 0.000 1.216 82 Y HN 0.223 nan 8.280 nan 0.000 0.474 83 D N 4.362 124.868 120.400 0.176 0.000 2.336 83 D HA 0.118 4.761 4.640 0.004 0.000 0.249 83 D C -1.904 174.442 176.300 0.077 0.000 1.213 83 D CA -2.346 51.709 54.000 0.092 0.000 0.870 83 D CB 1.511 42.351 40.800 0.066 0.000 1.076 83 D HN 0.222 nan 8.370 nan 0.000 0.483 84 P HA -0.116 nan 4.420 nan 0.000 0.220 84 P C 1.013 178.312 177.300 -0.001 0.000 1.148 84 P CA 0.791 63.896 63.100 0.008 0.000 0.803 84 P CB 0.304 31.998 31.700 -0.011 0.000 0.782 85 E N 0.105 120.309 120.200 0.007 0.000 2.158 85 E HA -0.089 4.264 4.350 0.004 0.000 0.191 85 E C 1.102 177.705 176.600 0.005 0.000 0.982 85 E CA 1.677 58.078 56.400 0.002 0.000 0.823 85 E CB -0.008 29.695 29.700 0.004 0.000 0.766 85 E HN 0.256 nan 8.360 nan 0.000 0.468 86 T N -3.673 110.890 114.554 0.016 0.000 2.986 86 T HA 0.233 4.585 4.350 0.004 0.000 0.264 86 T C 1.049 175.762 174.700 0.022 0.000 0.964 86 T CA -0.417 61.693 62.100 0.017 0.000 0.895 86 T CB 0.305 69.187 68.868 0.023 0.000 1.163 86 T HN 0.036 nan 8.240 nan 0.000 0.517 87 E N 0.785 121.005 120.200 0.033 0.000 2.583 87 E HA 0.347 4.700 4.350 0.004 0.000 0.213 87 E C -0.786 175.777 176.600 -0.062 0.000 0.989 87 E CA -0.091 56.333 56.400 0.040 0.000 0.991 87 E CB 1.560 31.359 29.700 0.164 0.000 1.040 87 E HN 0.274 nan 8.360 nan 0.000 0.481 88 V N 2.042 121.920 119.914 -0.060 0.000 2.577 88 V HA 0.339 4.462 4.120 0.004 0.000 0.303 88 V C -1.086 174.980 176.094 -0.047 0.000 1.042 88 V CA -0.916 61.324 62.300 -0.099 0.000 0.872 88 V CB 2.121 33.877 31.823 -0.112 0.000 0.998 88 V HN 0.049 nan 8.190 nan 0.000 0.423 89 L N 6.136 127.349 121.223 -0.018 0.000 2.372 89 L HA 0.694 5.037 4.340 0.004 0.000 0.274 89 L C -0.449 176.458 176.870 0.062 0.000 0.988 89 L CA -0.118 54.723 54.840 0.002 0.000 0.833 89 L CB 1.907 43.959 42.059 -0.011 0.000 1.236 89 L HN 0.448 nan 8.230 nan 0.000 0.410 90 V N 4.066 124.013 119.914 0.054 0.000 2.614 90 V HA 0.568 4.690 4.120 0.004 0.000 0.291 90 V C 0.658 176.788 176.094 0.061 0.000 1.049 90 V CA 0.296 62.664 62.300 0.115 0.000 1.038 90 V CB 1.107 32.978 31.823 0.079 0.000 0.980 90 V HN 0.961 nan 8.190 nan 0.000 0.481 91 T N 0.974 115.578 114.554 0.084 0.000 2.864 91 T HA 0.547 4.899 4.350 0.004 0.000 0.289 91 T C -0.499 174.223 174.700 0.038 0.000 1.082 91 T CA -0.779 61.338 62.100 0.028 0.000 1.009 91 T CB 1.644 70.514 68.868 0.005 0.000 1.234 91 T HN 0.160 nan 8.240 nan 0.000 0.526 92 V N 2.238 122.165 119.914 0.022 0.000 2.229 92 V HA 0.542 4.665 4.120 0.004 0.000 0.245 92 V C 1.325 177.429 176.094 0.017 0.000 1.243 92 V CA 0.851 63.174 62.300 0.039 0.000 1.176 92 V CB -1.128 30.719 31.823 0.041 0.000 1.323 92 V HN 1.485 nan 8.190 nan 0.000 0.499 93 G N 3.869 112.670 108.800 0.001 0.000 2.814 93 G HA2 0.074 4.037 3.960 0.004 0.000 0.677 93 G HA3 0.074 4.037 3.960 0.004 0.000 0.677 93 G C 0.753 175.581 174.900 -0.121 0.000 1.429 93 G CA -0.171 44.890 45.100 -0.064 0.000 0.868 93 G HN 1.116 nan 8.290 nan 0.000 0.553 94 A N -0.415 122.281 122.820 -0.207 0.000 2.024 94 A HA 0.055 4.378 4.320 0.004 0.000 0.220 94 A C 2.632 180.153 177.584 -0.106 0.000 1.164 94 A CA 3.002 54.911 52.037 -0.214 0.000 0.643 94 A CB -0.825 18.000 19.000 -0.290 0.000 0.806 94 A HN 1.593 nan 8.150 nan 0.000 0.451 95 T N -0.593 113.928 114.554 -0.056 0.000 2.684 95 T HA -0.175 4.178 4.350 0.004 0.000 0.267 95 T C 1.855 176.565 174.700 0.017 0.000 1.036 95 T CA 1.589 63.704 62.100 0.025 0.000 1.148 95 T CB -0.184 68.716 68.868 0.053 0.000 0.863 95 T HN 0.724 nan 8.240 nan 0.000 0.436 96 E N 0.594 120.793 120.200 -0.002 0.000 2.107 96 E HA -0.026 4.327 4.350 0.004 0.000 0.191 96 E C 2.435 179.028 176.600 -0.012 0.000 0.982 96 E CA 0.728 57.129 56.400 0.001 0.000 0.809 96 E CB -0.152 29.551 29.700 0.005 0.000 0.756 96 E HN 0.459 nan 8.360 nan 0.000 0.459 97 A N 1.115 123.915 122.820 -0.033 0.000 1.902 97 A HA -0.171 4.152 4.320 0.004 0.000 0.217 97 A C 2.097 179.657 177.584 -0.041 0.000 1.181 97 A CA 1.192 53.204 52.037 -0.042 0.000 0.623 97 A CB -0.560 18.399 19.000 -0.070 0.000 0.818 97 A HN 0.289 nan 8.150 nan 0.000 0.443 98 I N -0.314 120.235 120.570 -0.035 0.000 2.142 98 I HA -0.275 3.898 4.170 0.004 0.000 0.240 98 I C 3.001 179.106 176.117 -0.020 0.000 1.078 98 I CA 1.156 62.439 61.300 -0.028 0.000 1.343 98 I CB -0.372 37.653 38.000 0.041 0.000 1.046 98 I HN 0.343 nan 8.210 nan 0.000 0.405 99 A N 0.617 123.438 122.820 0.003 0.000 1.902 99 A HA -0.173 4.149 4.320 0.004 0.000 0.217 99 A C 2.496 180.074 177.584 -0.010 0.000 1.181 99 A CA 1.991 54.027 52.037 -0.001 0.000 0.623 99 A CB -0.920 18.085 19.000 0.009 0.000 0.818 99 A HN 0.446 nan 8.150 nan 0.000 0.443 100 A N -0.423 122.392 122.820 -0.008 0.000 1.968 100 A HA 0.265 4.587 4.320 0.004 0.000 0.217 100 A C 2.447 180.022 177.584 -0.016 0.000 1.169 100 A CA 1.752 53.785 52.037 -0.007 0.000 0.638 100 A CB -0.845 18.150 19.000 -0.008 0.000 0.812 100 A HN 0.991 nan 8.150 nan 0.000 0.446 101 A N -0.475 122.328 122.820 -0.029 0.000 1.902 101 A HA 0.013 4.335 4.320 0.004 0.000 0.217 101 A C 2.211 179.771 177.584 -0.040 0.000 1.181 101 A CA 1.812 53.827 52.037 -0.036 0.000 0.623 101 A CB -0.803 18.166 19.000 -0.051 0.000 0.818 101 A HN 0.353 nan 8.150 nan 0.000 0.443 102 V N -0.077 119.808 119.914 -0.048 0.000 2.323 102 V HA -0.195 3.928 4.120 0.004 0.000 0.244 102 V C 2.529 178.600 176.094 -0.039 0.000 1.041 102 V CA 1.794 64.061 62.300 -0.054 0.000 1.025 102 V CB -0.734 31.048 31.823 -0.068 0.000 0.656 102 V HN 0.548 nan 8.190 nan 0.000 0.451 103 L N 0.514 121.721 121.223 -0.026 0.000 2.141 103 L HA -0.044 4.298 4.340 0.004 0.000 0.209 103 L C 2.500 179.367 176.870 -0.005 0.000 1.094 103 L CA 1.620 56.452 54.840 -0.014 0.000 0.763 103 L CB -0.885 41.175 42.059 0.001 0.000 0.908 103 L HN 0.469 nan 8.230 nan 0.000 0.437 104 G N -0.707 108.091 108.800 -0.003 0.000 2.511 104 G HA2 -0.019 3.943 3.960 0.004 0.000 0.217 104 G HA3 -0.019 3.943 3.960 0.004 0.000 0.217 104 G C 1.462 176.360 174.900 -0.003 0.000 1.133 104 G CA 0.238 45.341 45.100 0.005 0.000 0.792 104 G HN 0.278 nan 8.290 nan 0.000 0.539 105 L N -0.174 121.040 121.223 -0.015 0.000 2.749 105 L HA 0.306 4.649 4.340 0.004 0.000 0.242 105 L C -0.212 176.643 176.870 -0.025 0.000 1.103 105 L CA 0.006 54.835 54.840 -0.018 0.000 0.906 105 L CB 1.176 43.222 42.059 -0.022 0.000 1.228 105 L HN -0.129 nan 8.230 nan 0.000 0.517 106 V N 1.068 120.962 119.914 -0.033 0.000 2.357 106 V HA 0.263 4.386 4.120 0.004 0.000 0.284 106 V C 0.032 176.099 176.094 -0.046 0.000 1.018 106 V CA -0.847 61.428 62.300 -0.043 0.000 0.841 106 V CB 1.575 33.364 31.823 -0.057 0.000 0.991 106 V HN 0.054 nan 8.190 nan 0.000 0.437 107 E N 5.224 125.398 120.200 -0.042 0.000 2.373 107 E HA 0.233 4.585 4.350 0.004 0.000 0.267 107 E C -2.388 174.170 176.600 -0.070 0.000 1.032 107 E CA -1.897 54.476 56.400 -0.043 0.000 0.889 107 E CB 0.655 30.336 29.700 -0.032 0.000 0.984 107 E HN 0.394 nan 8.360 nan 0.000 0.425 108 P HA -0.059 nan 4.420 nan 0.000 0.263 108 P C 0.756 177.983 177.300 -0.122 0.000 1.175 108 P CA 1.295 64.334 63.100 -0.102 0.000 0.761 108 P CB 0.391 32.053 31.700 -0.063 0.000 0.794 109 G N 1.463 110.118 108.800 -0.242 0.000 2.284 109 G HA2 -0.235 3.728 3.960 0.004 0.000 0.230 109 G HA3 -0.235 3.728 3.960 0.004 0.000 0.230 109 G C 0.540 175.345 174.900 -0.159 0.000 1.021 109 G CA 0.017 44.992 45.100 -0.207 0.000 0.619 109 G HN 0.594 nan 8.290 nan 0.000 0.510 110 S N 1.125 116.745 115.700 -0.134 0.000 2.584 110 S HA 0.455 4.928 4.470 0.004 0.000 0.270 110 S C 0.279 174.847 174.600 -0.054 0.000 1.346 110 S CA -0.014 58.148 58.200 -0.063 0.000 1.018 110 S CB 1.109 64.275 63.200 -0.058 0.000 0.899 110 S HN 0.490 nan 8.310 nan 0.000 0.542 111 E N 0.680 120.886 120.200 0.011 0.000 2.231 111 E HA 0.467 4.820 4.350 0.004 0.000 0.277 111 E C -1.199 175.396 176.600 -0.009 0.000 0.999 111 E CA -0.520 55.899 56.400 0.031 0.000 0.827 111 E CB 1.309 31.042 29.700 0.056 0.000 1.101 111 E HN 0.203 nan 8.360 nan 0.000 0.393 112 V N 4.292 124.195 119.914 -0.018 0.000 2.487 112 V HA 0.278 4.401 4.120 0.004 0.000 0.298 112 V C -0.349 175.723 176.094 -0.036 0.000 1.028 112 V CA -0.730 61.543 62.300 -0.044 0.000 0.860 112 V CB 1.374 33.152 31.823 -0.075 0.000 0.991 112 V HN 0.549 nan 8.190 nan 0.000 0.427 113 L N 5.781 126.984 121.223 -0.033 0.000 2.326 113 L HA 0.563 4.905 4.340 0.004 0.000 0.278 113 L C -0.555 176.302 176.870 -0.022 0.000 1.092 113 L CA -0.145 54.686 54.840 -0.015 0.000 0.810 113 L CB 1.040 43.096 42.059 -0.005 0.000 1.153 113 L HN 0.412 nan 8.230 nan 0.000 0.439 114 L N 3.923 125.153 121.223 0.011 0.000 2.354 114 L HA 0.528 4.871 4.340 0.004 0.000 0.269 114 L C -0.604 176.366 176.870 0.168 0.000 1.005 114 L CA -0.927 53.957 54.840 0.072 0.000 0.819 114 L CB 2.419 44.477 42.059 -0.002 0.000 1.311 114 L HN 0.358 nan 8.230 nan 0.000 0.423 115 I N 2.003 122.705 120.570 0.220 0.000 2.325 115 I HA 0.253 4.425 4.170 0.004 0.000 0.291 115 I C 0.241 176.516 176.117 0.263 0.000 1.019 115 I CA 0.017 61.419 61.300 0.169 0.000 1.302 115 I CB 1.250 39.302 38.000 0.086 0.000 1.401 115 I HN 0.708 nan 8.210 nan 0.000 0.485 116 E N 8.708 128.964 120.200 0.093 0.000 2.204 116 E HA 0.433 4.786 4.350 0.004 0.000 0.276 116 E C -2.399 173.886 176.600 -0.525 0.000 0.974 116 E CA -1.983 54.312 56.400 -0.174 0.000 0.815 116 E CB 1.755 31.351 29.700 -0.174 0.000 1.119 116 E HN 0.260 nan 8.360 nan 0.000 0.393 117 P HA 0.085 nan 4.420 nan 0.000 0.271 117 P C -1.050 176.052 177.300 -0.329 0.000 1.218 117 P CA 0.103 62.787 63.100 -0.693 0.000 0.780 117 P CB 0.166 31.498 31.700 -0.613 0.000 0.901 118 F N -0.205 119.781 119.950 0.059 0.000 2.561 118 F HA 0.509 5.038 4.527 0.004 0.000 0.321 118 F C -0.056 175.732 175.800 -0.020 0.000 1.065 118 F CA -2.192 55.851 58.000 0.071 0.000 0.934 118 F CB -0.073 39.025 39.000 0.163 0.000 1.215 118 F HN 0.198 nan 8.300 nan 0.000 0.471 119 Y N 2.009 122.166 120.300 -0.239 0.000 2.805 119 Y HA -0.004 4.549 4.550 0.005 0.000 0.337 119 Y C 1.647 177.341 175.900 -0.343 0.000 1.252 119 Y CA 0.318 58.147 58.100 -0.452 0.000 1.515 119 Y CB 0.300 38.173 38.460 -0.979 0.000 1.305 119 Y HN 0.853 nan 8.280 nan 0.000 0.600 120 D N 1.505 121.321 120.400 -0.973 0.000 2.190 120 D HA -0.219 4.424 4.640 0.004 0.000 0.200 120 D C 2.043 178.010 176.300 -0.554 0.000 0.992 120 D CA 2.118 55.693 54.000 -0.709 0.000 0.854 120 D CB -0.025 40.123 40.800 -1.086 0.000 0.936 120 D HN 0.546 nan 8.370 nan 0.000 0.462 121 S N -1.385 113.929 115.700 -0.644 0.000 2.527 121 S HA -0.073 4.400 4.470 0.004 0.000 0.222 121 S C 1.725 176.325 174.600 0.001 0.000 0.985 121 S CA -0.078 58.005 58.200 -0.194 0.000 0.921 121 S CB -0.458 62.764 63.200 0.037 0.000 0.772 121 S HN 0.177 nan 8.310 nan 0.000 0.529 122 Y N 2.786 123.028 120.300 -0.097 0.000 2.163 122 Y HA 0.068 4.621 4.550 0.006 0.000 0.288 122 Y C 3.034 178.749 175.900 -0.308 0.000 1.136 122 Y CA 0.244 58.257 58.100 -0.145 0.000 1.147 122 Y CB -1.305 37.090 38.460 -0.108 0.000 0.987 122 Y HN 0.303 nan 8.280 nan 0.000 0.509 123 S N 0.874 116.392 115.700 -0.302 0.000 2.348 123 S HA -0.107 4.366 4.470 0.004 0.000 0.221 123 S C -0.279 173.928 174.600 -0.654 0.000 1.033 123 S CA 1.615 59.524 58.200 -0.485 0.000 1.010 123 S CB -1.506 61.382 63.200 -0.521 0.000 0.891 123 S HN 0.378 nan 8.310 nan 0.000 0.442 124 P HA 0.018 nan 4.420 nan 0.000 0.218 124 P C 1.483 178.613 177.300 -0.282 0.000 1.149 124 P CA 0.779 63.434 63.100 -0.743 0.000 0.817 124 P CB -0.160 31.186 31.700 -0.590 0.000 0.785 125 V N 0.331 120.126 119.914 -0.198 0.000 2.307 125 V HA -0.182 3.940 4.120 0.004 0.000 0.245 125 V C 2.827 178.862 176.094 -0.099 0.000 1.045 125 V CA 1.617 63.857 62.300 -0.099 0.000 1.024 125 V CB -1.073 30.724 31.823 -0.043 0.000 0.651 125 V HN -0.065 nan 8.190 nan 0.000 0.449 126 V N 0.293 120.134 119.914 -0.123 0.000 2.332 126 V HA -0.289 3.834 4.120 0.004 0.000 0.248 126 V C 2.637 178.679 176.094 -0.087 0.000 1.055 126 V CA 2.149 64.385 62.300 -0.107 0.000 1.038 126 V CB -1.073 30.679 31.823 -0.118 0.000 0.651 126 V HN 0.576 nan 8.190 nan 0.000 0.450 127 A N -1.024 121.743 122.820 -0.088 0.000 1.897 127 A HA -0.166 4.156 4.320 0.004 0.000 0.215 127 A C 2.240 179.817 177.584 -0.012 0.000 1.181 127 A CA 1.812 53.842 52.037 -0.010 0.000 0.620 127 A CB -0.445 18.607 19.000 0.086 0.000 0.821 127 A HN 0.461 nan 8.150 nan 0.000 0.443 128 M N -0.382 119.199 119.600 -0.031 0.000 2.144 128 M HA -0.213 4.270 4.480 0.004 0.000 0.260 128 M C 2.324 178.609 176.300 -0.025 0.000 1.067 128 M CA 1.516 56.806 55.300 -0.017 0.000 1.095 128 M CB -0.362 32.226 32.600 -0.020 0.000 1.365 128 M HN 0.486 nan 8.290 nan 0.000 0.406 129 A N -0.317 122.477 122.820 -0.042 0.000 2.216 129 A HA 0.172 4.494 4.320 0.004 0.000 0.214 129 A C 1.681 179.225 177.584 -0.065 0.000 1.160 129 A CA 1.084 53.090 52.037 -0.050 0.000 0.725 129 A CB -1.054 17.909 19.000 -0.062 0.000 0.784 129 A HN 0.705 nan 8.150 nan 0.000 0.472 130 G N -2.171 106.590 108.800 -0.066 0.000 2.153 130 G HA2 0.056 4.019 3.960 0.004 0.000 0.252 130 G HA3 0.056 4.019 3.960 0.004 0.000 0.252 130 G C 0.402 175.172 174.900 -0.216 0.000 0.994 130 G CA 0.620 45.666 45.100 -0.091 0.000 0.698 130 G HN 1.559 nan 8.290 nan 0.000 0.521 131 A N -0.740 121.951 122.820 -0.214 0.000 2.242 131 A HA 0.822 5.144 4.320 0.004 0.000 0.304 131 A C -0.049 177.344 177.584 -0.317 0.000 1.100 131 A CA -0.390 51.455 52.037 -0.322 0.000 0.860 131 A CB 0.641 19.539 19.000 -0.170 0.000 1.168 131 A HN 0.640 nan 8.150 nan 0.000 0.503 132 H N -0.058 119.002 119.070 -0.017 0.000 2.481 132 H HA 0.440 4.999 4.556 0.004 0.000 0.333 132 H C 0.100 175.412 175.328 -0.026 0.000 1.066 132 H CA -0.625 55.415 56.048 -0.012 0.000 1.209 132 H CB 1.153 30.913 29.762 -0.004 0.000 1.445 132 H HN 0.699 nan 8.280 nan 0.000 0.488 133 R N 2.999 123.549 120.500 0.083 0.000 2.442 133 R HA 0.258 4.601 4.340 0.004 0.000 0.291 133 R C -1.239 175.079 176.300 0.031 0.000 1.069 133 R CA -0.222 55.881 56.100 0.005 0.000 1.022 133 R CB 0.348 30.624 30.300 -0.041 0.000 0.976 133 R HN 0.400 nan 8.270 nan 0.000 0.443 134 V N 4.379 124.303 119.914 0.016 0.000 2.531 134 V HA 0.298 4.420 4.120 0.004 0.000 0.301 134 V C -0.198 175.919 176.094 0.039 0.000 1.034 134 V CA -0.759 61.560 62.300 0.033 0.000 0.865 134 V CB 1.887 33.730 31.823 0.033 0.000 0.995 134 V HN 0.989 nan 8.190 nan 0.000 0.424 135 T N 1.784 116.380 114.554 0.071 0.000 2.855 135 T HA 0.806 5.159 4.350 0.004 0.000 0.281 135 T C -0.767 173.991 174.700 0.098 0.000 1.007 135 T CA -0.750 61.425 62.100 0.124 0.000 1.009 135 T CB 1.779 70.790 68.868 0.238 0.000 0.983 135 T HN 0.313 nan 8.240 nan 0.000 0.455 136 V N 4.490 124.460 119.914 0.092 0.000 2.443 136 V HA 0.460 4.583 4.120 0.004 0.000 0.293 136 V C -2.469 173.649 176.094 0.039 0.000 1.021 136 V CA -2.138 60.199 62.300 0.061 0.000 0.848 136 V CB 1.481 33.333 31.823 0.047 0.000 0.998 136 V HN 0.809 nan 8.190 nan 0.000 0.424 137 P HA 0.287 nan 4.420 nan 0.000 0.275 137 P C -0.029 177.306 177.300 0.058 0.000 1.227 137 P CA -0.255 62.823 63.100 -0.036 0.000 0.781 137 P CB 0.737 32.439 31.700 0.003 0.000 0.906 138 L N 1.813 123.052 121.223 0.028 0.000 2.483 138 L HA 0.178 4.520 4.340 0.004 0.000 0.277 138 L C 0.795 177.960 176.870 0.492 0.000 1.248 138 L CA -0.021 54.943 54.840 0.206 0.000 0.825 138 L CB -0.047 42.118 42.059 0.178 0.000 1.096 138 L HN 0.236 nan 8.230 nan 0.000 0.512 139 V N -0.845 119.314 119.914 0.409 0.000 2.680 139 V HA 0.557 4.680 4.120 0.004 0.000 0.309 139 V C -2.576 173.697 176.094 0.297 0.000 1.052 139 V CA -2.595 59.906 62.300 0.335 0.000 0.908 139 V CB 1.466 33.401 31.823 0.187 0.000 1.001 139 V HN 0.499 nan 8.190 nan 0.000 0.431 140 P HA 0.305 nan 4.420 nan 0.000 0.268 140 P C -1.083 176.186 177.300 -0.051 0.000 1.208 140 P CA 0.558 63.636 63.100 -0.037 0.000 0.777 140 P CB 0.285 31.915 31.700 -0.116 0.000 0.875 141 D N 0.809 121.122 120.400 -0.145 0.000 2.333 141 D HA 0.224 4.866 4.640 0.004 0.000 0.225 141 D C 1.126 177.371 176.300 -0.091 0.000 1.345 141 D CA -0.414 53.539 54.000 -0.078 0.000 0.971 141 D CB 0.081 40.870 40.800 -0.018 0.000 1.451 141 D HN 0.289 nan 8.370 nan 0.000 0.561 142 G N 2.493 111.245 108.800 -0.079 0.000 2.433 142 G HA2 -0.238 3.724 3.960 0.004 0.000 0.216 142 G HA3 -0.238 3.724 3.960 0.004 0.000 0.216 142 G C 1.316 176.116 174.900 -0.167 0.000 1.186 142 G CA 0.450 45.486 45.100 -0.107 0.000 0.779 142 G HN 0.377 nan 8.290 nan 0.000 0.543 143 R N 0.861 121.268 120.500 -0.155 0.000 2.275 143 R HA 0.160 4.503 4.340 0.004 0.000 0.199 143 R C 1.474 177.657 176.300 -0.195 0.000 0.989 143 R CA 0.498 56.468 56.100 -0.217 0.000 1.016 143 R CB -0.445 29.750 30.300 -0.175 0.000 0.918 143 R HN 0.366 nan 8.270 nan 0.000 0.473 144 G N -0.804 107.864 108.800 -0.219 0.000 3.008 144 G HA2 0.603 4.566 3.960 0.004 0.000 0.181 144 G HA3 0.603 4.566 3.960 0.004 0.000 0.181 144 G C -0.946 173.466 174.900 -0.813 0.000 1.309 144 G CA -0.403 44.511 45.100 -0.309 0.000 1.009 144 G HN 0.016 nan 8.290 nan 0.000 0.584 145 F N -1.194 118.866 119.950 0.183 0.000 2.626 145 F HA 0.756 5.285 4.527 0.004 0.000 0.311 145 F C 0.256 176.109 175.800 0.090 0.000 1.088 145 F CA -0.669 57.416 58.000 0.141 0.000 0.949 145 F CB 2.385 41.511 39.000 0.211 0.000 1.322 145 F HN 0.701 nan 8.300 nan 0.000 0.461 146 A N 1.154 124.129 122.820 0.257 0.000 2.587 146 A HA 0.742 5.064 4.320 0.004 0.000 0.293 146 A C -1.968 175.681 177.584 0.109 0.000 1.087 146 A CA -0.787 51.324 52.037 0.124 0.000 0.692 146 A CB 1.600 20.645 19.000 0.074 0.000 1.291 146 A HN 0.799 nan 8.150 nan 0.000 0.407 147 L N 0.733 121.983 121.223 0.046 0.000 2.426 147 L HA 0.429 4.771 4.340 0.004 0.000 0.271 147 L C -0.276 176.619 176.870 0.041 0.000 1.169 147 L CA 0.313 55.168 54.840 0.025 0.000 0.836 147 L CB 0.640 42.691 42.059 -0.012 0.000 1.112 147 L HN 0.653 nan 8.230 nan 0.000 0.465 148 D N 3.524 123.953 120.400 0.049 0.000 2.467 148 D HA 0.365 5.007 4.640 0.004 0.000 0.220 148 D C 0.681 176.997 176.300 0.027 0.000 1.103 148 D CA 0.284 54.312 54.000 0.046 0.000 0.886 148 D CB 1.512 42.352 40.800 0.068 0.000 1.025 148 D HN 0.700 nan 8.370 nan 0.000 0.514 149 A N 3.919 126.748 122.820 0.014 0.000 1.930 149 A HA -0.145 4.178 4.320 0.004 0.000 0.217 149 A C 1.724 179.314 177.584 0.009 0.000 1.175 149 A CA 1.095 53.134 52.037 0.003 0.000 0.627 149 A CB -0.091 18.905 19.000 -0.006 0.000 0.815 149 A HN 0.580 nan 8.150 nan 0.000 0.443 150 D N 0.260 120.670 120.400 0.015 0.000 2.117 150 D HA -0.076 4.567 4.640 0.004 0.000 0.197 150 D C 2.225 178.538 176.300 0.021 0.000 0.987 150 D CA 1.443 55.453 54.000 0.017 0.000 0.829 150 D CB -0.276 40.536 40.800 0.020 0.000 0.961 150 D HN 0.449 nan 8.370 nan 0.000 0.460 151 A N 1.106 123.943 122.820 0.028 0.000 1.930 151 A HA -0.131 4.192 4.320 0.004 0.000 0.217 151 A C 2.179 179.780 177.584 0.028 0.000 1.175 151 A CA 0.797 52.854 52.037 0.034 0.000 0.627 151 A CB -0.611 18.417 19.000 0.047 0.000 0.815 151 A HN 0.197 nan 8.150 nan 0.000 0.443 152 L N -0.099 121.138 121.223 0.022 0.000 2.046 152 L HA -0.105 4.237 4.340 0.004 0.000 0.208 152 L C 2.431 179.308 176.870 0.011 0.000 1.077 152 L CA 2.371 57.220 54.840 0.015 0.000 0.747 152 L CB -0.603 41.459 42.059 0.004 0.000 0.896 152 L HN 0.469 nan 8.230 nan 0.000 0.432 153 R N -0.706 119.800 120.500 0.010 0.000 2.073 153 R HA -0.133 4.210 4.340 0.004 0.000 0.234 153 R C 2.444 178.751 176.300 0.012 0.000 1.134 153 R CA 1.429 57.534 56.100 0.008 0.000 0.952 153 R CB -0.202 30.102 30.300 0.007 0.000 0.850 153 R HN 0.330 nan 8.270 nan 0.000 0.433 154 R N -0.183 120.326 120.500 0.016 0.000 2.127 154 R HA -0.122 4.220 4.340 0.004 0.000 0.238 154 R C 2.163 178.474 176.300 0.018 0.000 1.134 154 R CA 1.368 57.479 56.100 0.017 0.000 0.975 154 R CB -0.282 30.031 30.300 0.021 0.000 0.865 154 R HN 0.283 nan 8.270 nan 0.000 0.447 155 A N 0.887 123.719 122.820 0.020 0.000 2.066 155 A HA 0.013 4.336 4.320 0.004 0.000 0.218 155 A C 1.042 178.637 177.584 0.018 0.000 1.157 155 A CA 0.356 52.406 52.037 0.021 0.000 0.670 155 A CB 0.062 19.078 19.000 0.025 0.000 0.804 155 A HN 0.025 nan 8.150 nan 0.000 0.453 156 V N 1.526 121.448 119.914 0.013 0.000 2.655 156 V HA 0.387 4.510 4.120 0.004 0.000 0.300 156 V C 0.776 176.878 176.094 0.012 0.000 1.044 156 V CA 0.608 62.914 62.300 0.011 0.000 1.095 156 V CB 0.652 32.479 31.823 0.007 0.000 0.952 156 V HN 0.633 nan 8.190 nan 0.000 0.485 157 T N 2.098 116.660 114.554 0.013 0.000 2.887 157 T HA 0.497 4.850 4.350 0.004 0.000 0.292 157 T C -2.296 172.412 174.700 0.013 0.000 1.087 157 T CA -1.941 60.167 62.100 0.015 0.000 1.009 157 T CB 2.055 70.934 68.868 0.018 0.000 1.203 157 T HN 0.341 nan 8.240 nan 0.000 0.518 158 P HA 0.078 nan 4.420 nan 0.000 0.223 158 P C 1.115 178.423 177.300 0.015 0.000 1.144 158 P CA 0.718 63.826 63.100 0.012 0.000 0.783 158 P CB 0.056 31.764 31.700 0.012 0.000 0.771 159 R N -1.631 118.882 120.500 0.021 0.000 2.276 159 R HA 0.092 4.435 4.340 0.004 0.000 0.196 159 R C 0.322 176.634 176.300 0.020 0.000 0.961 159 R CA 0.342 56.459 56.100 0.028 0.000 1.024 159 R CB -0.357 29.974 30.300 0.051 0.000 0.940 159 R HN 0.117 nan 8.270 nan 0.000 0.480 160 T N 0.805 115.367 114.554 0.015 0.000 2.817 160 T HA 0.026 4.379 4.350 0.004 0.000 0.295 160 T C 0.878 175.576 174.700 -0.003 0.000 0.958 160 T CA 0.086 62.189 62.100 0.006 0.000 1.157 160 T CB 1.383 70.253 68.868 0.004 0.000 0.898 160 T HN 0.165 nan 8.240 nan 0.000 0.536 161 R N 2.358 122.851 120.500 -0.013 0.000 2.167 161 R HA 0.534 4.877 4.340 0.004 0.000 0.201 161 R C 0.283 176.569 176.300 -0.024 0.000 1.024 161 R CA 0.629 56.718 56.100 -0.018 0.000 1.053 161 R CB 0.376 30.660 30.300 -0.026 0.000 0.987 161 R HN 0.699 nan 8.270 nan 0.000 0.493 162 A N 0.173 122.973 122.820 -0.033 0.000 2.594 162 A HA 0.668 4.991 4.320 0.004 0.000 0.291 162 A C -2.034 175.520 177.584 -0.051 0.000 1.105 162 A CA -0.683 51.327 52.037 -0.044 0.000 0.694 162 A CB 1.502 20.466 19.000 -0.060 0.000 1.291 162 A HN 0.168 nan 8.150 nan 0.000 0.410 163 L N 0.860 122.047 121.223 -0.060 0.000 2.431 163 L HA 0.785 5.128 4.340 0.004 0.000 0.266 163 L C -1.546 175.265 176.870 -0.098 0.000 0.978 163 L CA -0.320 54.482 54.840 -0.064 0.000 0.822 163 L CB 1.563 43.596 42.059 -0.044 0.000 1.310 163 L HN 0.602 nan 8.230 nan 0.000 0.409 164 I N 5.747 126.239 120.570 -0.131 0.000 2.362 164 I HA 0.437 4.610 4.170 0.004 0.000 0.289 164 I C -0.775 175.273 176.117 -0.114 0.000 0.994 164 I CA -0.625 60.547 61.300 -0.213 0.000 1.158 164 I CB 1.599 39.309 38.000 -0.484 0.000 1.315 164 I HN 0.384 nan 8.210 nan 0.000 0.451 165 I N 5.223 125.747 120.570 -0.076 0.000 2.433 165 I HA 0.316 4.489 4.170 0.004 0.000 0.292 165 I C -0.370 175.785 176.117 0.062 0.000 1.001 165 I CA -0.643 60.660 61.300 0.005 0.000 1.119 165 I CB 1.562 39.548 38.000 -0.023 0.000 1.289 165 I HN 0.537 nan 8.210 nan 0.000 0.438 166 N N 3.739 122.548 118.700 0.180 0.000 2.531 166 N HA 0.395 5.138 4.740 0.004 0.000 0.268 166 N C -1.490 174.173 175.510 0.254 0.000 1.023 166 N CA -0.041 53.155 53.050 0.244 0.000 0.896 166 N CB 1.189 39.912 38.487 0.395 0.000 1.233 166 N HN 0.534 nan 8.380 nan 0.000 0.512 167 S N 3.369 119.183 115.700 0.190 0.000 2.575 167 S HA 0.606 5.078 4.470 0.004 0.000 0.278 167 S C -2.866 171.874 174.600 0.234 0.000 1.139 167 S CA -1.229 57.091 58.200 0.200 0.000 0.954 167 S CB 0.998 64.276 63.200 0.130 0.000 1.054 167 S HN 0.352 nan 8.310 nan 0.000 0.483 168 P HA 0.075 nan 4.420 nan 0.000 0.266 168 P C -0.963 176.452 177.300 0.192 0.000 1.195 168 P CA 0.116 63.310 63.100 0.157 0.000 0.768 168 P CB 0.157 31.884 31.700 0.045 0.000 0.838 169 H N 3.348 122.458 119.070 0.066 0.000 2.604 169 H HA 0.192 4.751 4.556 0.004 0.000 0.306 169 H C -0.326 174.996 175.328 -0.011 0.000 1.075 169 H CA -0.491 55.588 56.048 0.051 0.000 1.357 169 H CB 0.503 30.291 29.762 0.043 0.000 1.426 169 H HN 0.248 nan 8.280 nan 0.000 0.470 170 N N 6.834 125.281 118.700 -0.423 0.000 2.422 170 N HA 0.120 4.863 4.740 0.004 0.000 0.266 170 N C -2.100 172.851 175.510 -0.931 0.000 1.007 170 N CA -2.298 50.452 53.050 -0.500 0.000 0.941 170 N CB 1.618 40.034 38.487 -0.118 0.000 1.115 170 N HN 0.421 nan 8.380 nan 0.000 0.492 171 P HA 0.102 nan 4.420 nan 0.000 0.264 171 P C 0.615 177.660 177.300 -0.426 0.000 1.259 171 P CA 0.377 62.934 63.100 -0.906 0.000 0.841 171 P CB 0.270 31.046 31.700 -1.541 0.000 1.232 172 T N -4.602 109.830 114.554 -0.203 0.000 3.067 172 T HA 0.215 4.567 4.350 0.004 0.000 0.261 172 T C 1.647 176.479 174.700 0.221 0.000 1.110 172 T CA 0.941 63.034 62.100 -0.011 0.000 1.113 172 T CB -1.160 67.643 68.868 -0.108 0.000 0.917 172 T HN 0.171 nan 8.240 nan 0.000 0.499 173 G N 1.455 110.374 108.800 0.199 0.000 2.155 173 G HA2 -0.079 3.883 3.960 0.004 0.000 0.257 173 G HA3 -0.079 3.883 3.960 0.004 0.000 0.257 173 G C 0.306 175.420 174.900 0.356 0.000 0.983 173 G CA 0.055 45.310 45.100 0.257 0.000 0.676 173 G HN 1.215 nan 8.290 nan 0.000 0.528 174 A N -0.757 122.296 122.820 0.389 0.000 2.445 174 A HA 0.633 4.955 4.320 0.004 0.000 0.242 174 A C 0.403 178.139 177.584 0.253 0.000 1.075 174 A CA 0.577 52.837 52.037 0.371 0.000 0.777 174 A CB 0.994 20.167 19.000 0.288 0.000 1.013 174 A HN 1.200 nan 8.150 nan 0.000 0.493 175 V N 3.862 123.877 119.914 0.169 0.000 2.407 175 V HA 0.213 4.335 4.120 0.004 0.000 0.291 175 V C 0.052 176.160 176.094 0.024 0.000 1.018 175 V CA -0.378 61.983 62.300 0.102 0.000 0.842 175 V CB 1.196 33.079 31.823 0.099 0.000 0.996 175 V HN 0.765 nan 8.190 nan 0.000 0.426 176 L N 4.699 125.935 121.223 0.022 0.000 2.559 176 L HA 0.119 4.462 4.340 0.004 0.000 0.274 176 L C 1.175 178.018 176.870 -0.045 0.000 1.205 176 L CA 0.414 55.236 54.840 -0.031 0.000 0.907 176 L CB 0.660 42.684 42.059 -0.059 0.000 1.153 176 L HN 0.891 nan 8.230 nan 0.000 0.490 177 S N 2.605 118.273 115.700 -0.053 0.000 2.589 177 S HA 0.245 4.718 4.470 0.004 0.000 0.265 177 S C 1.241 175.827 174.600 -0.023 0.000 1.342 177 S CA -0.226 57.955 58.200 -0.032 0.000 1.005 177 S CB 1.535 64.713 63.200 -0.036 0.000 0.909 177 S HN 0.686 nan 8.310 nan 0.000 0.555 178 A N 1.826 124.682 122.820 0.059 0.000 1.978 178 A HA -0.037 4.285 4.320 0.004 0.000 0.220 178 A C 2.232 179.862 177.584 0.077 0.000 1.170 178 A CA 2.123 54.267 52.037 0.177 0.000 0.636 178 A CB -1.790 17.367 19.000 0.261 0.000 0.810 178 A HN 0.901 nan 8.150 nan 0.000 0.448 179 T N -0.236 114.336 114.554 0.031 0.000 2.777 179 T HA -0.114 4.239 4.350 0.004 0.000 0.266 179 T C 1.777 176.447 174.700 -0.050 0.000 1.040 179 T CA 1.612 63.718 62.100 0.010 0.000 1.141 179 T CB -0.209 68.663 68.868 0.008 0.000 0.868 179 T HN 0.677 nan 8.240 nan 0.000 0.444 180 E N 0.739 120.893 120.200 -0.076 0.000 2.077 180 E HA -0.052 4.301 4.350 0.004 0.000 0.193 180 E C 2.218 178.703 176.600 -0.193 0.000 0.989 180 E CA 0.857 57.195 56.400 -0.103 0.000 0.800 180 E CB -0.287 29.363 29.700 -0.083 0.000 0.746 180 E HN 0.391 nan 8.360 nan 0.000 0.452 181 L N 0.614 121.641 121.223 -0.327 0.000 2.046 181 L HA -0.202 4.141 4.340 0.004 0.000 0.208 181 L C 2.580 179.031 176.870 -0.699 0.000 1.077 181 L CA 1.086 55.533 54.840 -0.656 0.000 0.747 181 L CB -0.478 40.881 42.059 -1.167 0.000 0.896 181 L HN 0.148 nan 8.230 nan 0.000 0.432 182 A N -0.016 122.528 122.820 -0.459 0.000 1.902 182 A HA -0.179 4.144 4.320 0.004 0.000 0.217 182 A C 2.537 180.073 177.584 -0.080 0.000 1.181 182 A CA 1.798 53.770 52.037 -0.108 0.000 0.623 182 A CB -0.737 18.319 19.000 0.094 0.000 0.818 182 A HN 0.403 nan 8.150 nan 0.000 0.443 183 A N -0.050 122.717 122.820 -0.089 0.000 1.902 183 A HA -0.072 4.250 4.320 0.004 0.000 0.217 183 A C 2.103 179.646 177.584 -0.069 0.000 1.181 183 A CA 1.486 53.489 52.037 -0.056 0.000 0.623 183 A CB -0.640 18.333 19.000 -0.044 0.000 0.818 183 A HN 0.489 nan 8.150 nan 0.000 0.443 184 I N -0.045 120.458 120.570 -0.112 0.000 2.151 184 I HA -0.339 3.834 4.170 0.004 0.000 0.243 184 I C 2.970 179.036 176.117 -0.085 0.000 1.080 184 I CA 1.243 62.482 61.300 -0.103 0.000 1.339 184 I CB -0.336 37.581 38.000 -0.139 0.000 1.039 184 I HN 0.363 nan 8.210 nan 0.000 0.409 185 A N 0.028 122.785 122.820 -0.106 0.000 1.902 185 A HA -0.254 4.069 4.320 0.004 0.000 0.217 185 A C 2.370 179.951 177.584 -0.006 0.000 1.181 185 A CA 1.784 53.798 52.037 -0.038 0.000 0.623 185 A CB -0.595 18.414 19.000 0.015 0.000 0.818 185 A HN 0.445 nan 8.150 nan 0.000 0.443 186 E N 0.274 120.471 120.200 -0.006 0.000 2.058 186 E HA -0.193 4.159 4.350 0.004 0.000 0.194 186 E C 1.950 178.550 176.600 -0.000 0.000 0.997 186 E CA 1.585 57.988 56.400 0.006 0.000 0.801 186 E CB -0.284 29.420 29.700 0.006 0.000 0.746 186 E HN 0.665 nan 8.360 nan 0.000 0.450 187 I N 0.888 121.451 120.570 -0.010 0.000 2.179 187 I HA -0.272 3.901 4.170 0.004 0.000 0.242 187 I C 2.679 178.792 176.117 -0.007 0.000 1.088 187 I CA 1.223 62.517 61.300 -0.008 0.000 1.357 187 I CB -0.409 37.582 38.000 -0.014 0.000 1.051 187 I HN 0.084 nan 8.210 nan 0.000 0.409 188 A N 0.271 123.084 122.820 -0.012 0.000 1.902 188 A HA -0.149 4.173 4.320 0.004 0.000 0.217 188 A C 2.434 180.018 177.584 0.000 0.000 1.181 188 A CA 1.788 53.820 52.037 -0.009 0.000 0.623 188 A CB -0.942 18.049 19.000 -0.014 0.000 0.818 188 A HN 0.250 nan 8.150 nan 0.000 0.443 189 V N -0.274 119.643 119.914 0.005 0.000 2.307 189 V HA -0.213 3.909 4.120 0.004 0.000 0.245 189 V C 3.064 179.163 176.094 0.009 0.000 1.045 189 V CA 1.889 64.196 62.300 0.011 0.000 1.024 189 V CB -1.199 30.635 31.823 0.018 0.000 0.651 189 V HN 0.610 nan 8.190 nan 0.000 0.449 190 A N -0.122 122.702 122.820 0.007 0.000 1.933 190 A HA -0.064 4.259 4.320 0.004 0.000 0.218 190 A C 2.185 179.772 177.584 0.006 0.000 1.175 190 A CA 2.027 54.068 52.037 0.007 0.000 0.628 190 A CB -0.559 18.445 19.000 0.006 0.000 0.814 190 A HN 0.608 nan 8.150 nan 0.000 0.444 191 A N -1.397 121.425 122.820 0.004 0.000 2.275 191 A HA 0.303 4.625 4.320 0.004 0.000 0.212 191 A C 0.841 178.427 177.584 0.003 0.000 1.201 191 A CA 0.660 52.699 52.037 0.003 0.000 0.843 191 A CB -0.495 18.506 19.000 0.001 0.000 0.873 191 A HN 0.731 nan 8.150 nan 0.000 0.492 192 N N -0.433 118.269 118.700 0.004 0.000 2.696 192 N HA -0.139 4.604 4.740 0.004 0.000 0.256 192 N C -0.650 174.860 175.510 0.000 0.000 1.031 192 N CA 0.575 53.627 53.050 0.004 0.000 0.730 192 N CB -1.837 36.653 38.487 0.005 0.000 0.894 192 N HN 0.490 nan 8.380 nan 0.000 0.544 193 L N -0.085 121.137 121.223 -0.002 0.000 2.360 193 L HA 0.534 4.877 4.340 0.004 0.000 0.271 193 L C 0.798 177.664 176.870 -0.007 0.000 1.057 193 L CA -1.276 53.560 54.840 -0.008 0.000 0.803 193 L CB 1.290 43.341 42.059 -0.013 0.000 1.207 193 L HN -0.118 nan 8.230 nan 0.000 0.445 194 V N 2.482 122.389 119.914 -0.013 0.000 2.546 194 V HA 0.235 4.358 4.120 0.004 0.000 0.284 194 V C 0.125 176.204 176.094 -0.025 0.000 1.050 194 V CA -0.361 61.930 62.300 -0.014 0.000 0.981 194 V CB 1.767 33.580 31.823 -0.017 0.000 0.990 194 V HN 0.394 nan 8.190 nan 0.000 0.474 195 V N 6.421 126.322 119.914 -0.021 0.000 2.495 195 V HA 0.521 4.644 4.120 0.004 0.000 0.298 195 V C -0.253 175.817 176.094 -0.039 0.000 1.031 195 V CA -0.503 61.777 62.300 -0.034 0.000 0.871 195 V CB 1.883 33.690 31.823 -0.027 0.000 0.988 195 V HN 0.647 nan 8.190 nan 0.000 0.432 196 I N 3.683 124.211 120.570 -0.070 0.000 2.362 196 I HA 0.452 4.624 4.170 0.004 0.000 0.289 196 I C 0.069 176.132 176.117 -0.090 0.000 0.994 196 I CA -0.064 61.186 61.300 -0.084 0.000 1.158 196 I CB 2.015 39.937 38.000 -0.130 0.000 1.315 196 I HN 0.599 nan 8.210 nan 0.000 0.451 197 T N 2.979 117.501 114.554 -0.053 0.000 2.895 197 T HA 0.276 4.628 4.350 0.004 0.000 0.283 197 T C -0.635 174.041 174.700 -0.039 0.000 1.014 197 T CA -0.582 61.498 62.100 -0.033 0.000 1.037 197 T CB 1.817 70.688 68.868 0.005 0.000 1.006 197 T HN 0.414 nan 8.240 nan 0.000 0.468 198 D N 1.491 121.881 120.400 -0.016 0.000 2.461 198 D HA 0.197 4.839 4.640 0.004 0.000 0.240 198 D C 0.056 176.350 176.300 -0.011 0.000 1.094 198 D CA -0.528 53.454 54.000 -0.031 0.000 0.868 198 D CB 0.806 41.622 40.800 0.027 0.000 1.062 198 D HN 0.560 nan 8.370 nan 0.000 0.530 199 E N 2.449 122.613 120.200 -0.061 0.000 2.585 199 E HA 0.046 4.399 4.350 0.004 0.000 0.206 199 E C 1.829 178.313 176.600 -0.192 0.000 1.007 199 E CA -0.013 56.356 56.400 -0.052 0.000 1.028 199 E CB 0.914 30.639 29.700 0.041 0.000 1.087 199 E HN 0.426 nan 8.360 nan 0.000 0.455 200 V N -1.723 118.009 119.914 -0.304 0.000 2.688 200 V HA -0.247 3.876 4.120 0.004 0.000 0.256 200 V C 1.269 177.024 176.094 -0.565 0.000 1.084 200 V CA 1.366 63.364 62.300 -0.505 0.000 1.103 200 V CB -0.985 30.429 31.823 -0.682 0.000 0.688 200 V HN 0.315 nan 8.190 nan 0.000 0.480 201 Y N 1.960 122.156 120.300 -0.173 0.000 2.583 201 Y HA 0.238 4.790 4.550 0.004 0.000 0.294 201 Y C 2.252 177.977 175.900 -0.291 0.000 1.170 201 Y CA 0.234 58.189 58.100 -0.242 0.000 1.265 201 Y CB -0.507 37.769 38.460 -0.306 0.000 1.119 201 Y HN 0.484 nan 8.280 nan 0.000 0.522 202 E N 0.213 120.301 120.200 -0.185 0.000 2.171 202 E HA -0.294 4.058 4.350 0.004 0.000 0.197 202 E C 1.302 177.835 176.600 -0.112 0.000 0.997 202 E CA 1.872 57.984 56.400 -0.480 0.000 0.810 202 E CB -0.571 28.933 29.700 -0.326 0.000 0.738 202 E HN 0.636 nan 8.360 nan 0.000 0.467 203 H N 0.363 119.367 119.070 -0.111 0.000 2.551 203 H HA 0.215 4.774 4.556 0.004 0.000 0.266 203 H C 0.617 175.890 175.328 -0.092 0.000 0.977 203 H CA 0.073 56.085 56.048 -0.060 0.000 1.163 203 H CB -0.126 29.600 29.762 -0.060 0.000 1.381 203 H HN 0.163 nan 8.280 nan 0.000 0.581 204 L N 2.745 123.592 121.223 -0.625 0.000 2.435 204 L HA 0.301 4.644 4.340 0.004 0.000 0.253 204 L C -0.664 175.767 176.870 -0.732 0.000 1.087 204 L CA -0.818 53.601 54.840 -0.702 0.000 0.950 204 L CB 1.328 42.963 42.059 -0.707 0.000 1.304 204 L HN 0.048 nan 8.230 nan 0.000 0.453 205 V N -1.541 117.993 119.914 -0.634 0.000 2.656 205 V HA 0.650 4.773 4.120 0.004 0.000 0.307 205 V C -0.638 175.158 176.094 -0.497 0.000 1.051 205 V CA -0.725 61.272 62.300 -0.505 0.000 0.893 205 V CB 1.914 33.663 31.823 -0.123 0.000 0.999 205 V HN 0.280 nan 8.190 nan 0.000 0.426 206 F N 0.754 120.745 119.950 0.070 0.000 2.598 206 F HA 0.645 5.175 4.527 0.005 0.000 0.327 206 F C 0.305 176.110 175.800 0.009 0.000 1.057 206 F CA -0.794 57.208 58.000 0.002 0.000 0.957 206 F CB 1.518 40.495 39.000 -0.037 0.000 1.278 206 F HN 0.635 nan 8.300 nan 0.000 0.484 207 D N 2.295 122.732 120.400 0.061 0.000 2.737 207 D HA -0.219 4.423 4.640 0.004 0.000 0.238 207 D C 0.171 176.382 176.300 -0.148 0.000 1.157 207 D CA 1.112 55.017 54.000 -0.158 0.000 0.694 207 D CB -1.415 39.427 40.800 0.070 0.000 1.021 207 D HN 0.834 nan 8.370 nan 0.000 0.420 208 H N -4.399 114.760 119.070 0.149 0.000 3.329 208 H HA -0.247 4.312 4.556 0.004 0.000 0.245 208 H C 0.876 176.268 175.328 0.107 0.000 1.099 208 H CA 1.314 57.428 56.048 0.111 0.000 1.186 208 H CB -1.951 27.863 29.762 0.086 0.000 1.243 208 H HN 0.606 nan 8.280 nan 0.000 0.319 209 A N 1.280 124.206 122.820 0.177 0.000 2.425 209 A HA 0.550 4.873 4.320 0.004 0.000 0.242 209 A C 0.730 178.378 177.584 0.107 0.000 1.077 209 A CA 0.031 52.140 52.037 0.121 0.000 0.781 209 A CB 0.538 19.624 19.000 0.144 0.000 1.020 209 A HN 0.388 nan 8.150 nan 0.000 0.494 210 R N -0.436 120.124 120.500 0.101 0.000 2.604 210 R HA 0.323 4.666 4.340 0.004 0.000 0.281 210 R C -1.390 174.998 176.300 0.146 0.000 1.020 210 R CA -0.718 55.458 56.100 0.127 0.000 0.899 210 R CB 1.657 32.028 30.300 0.117 0.000 1.205 210 R HN 0.908 nan 8.270 nan 0.000 0.450 211 H N 3.221 122.354 119.070 0.104 0.000 2.668 211 H HA 0.342 4.901 4.556 0.005 0.000 0.303 211 H C -1.018 174.345 175.328 0.058 0.000 1.074 211 H CA -0.025 56.066 56.048 0.072 0.000 1.406 211 H CB 0.476 30.291 29.762 0.089 0.000 1.442 211 H HN 0.335 nan 8.280 nan 0.000 0.482 212 L N 8.436 129.404 121.223 -0.426 0.000 2.388 212 L HA 0.367 4.710 4.340 0.004 0.000 0.267 212 L C -2.329 174.336 176.870 -0.341 0.000 0.995 212 L CA -2.137 52.566 54.840 -0.228 0.000 0.864 212 L CB 1.768 43.895 42.059 0.113 0.000 1.216 212 L HN 0.603 nan 8.230 nan 0.000 0.430 213 P HA -0.031 nan 4.420 nan 0.000 0.265 213 P C 0.600 177.923 177.300 0.039 0.000 1.193 213 P CA -0.289 62.617 63.100 -0.323 0.000 0.765 213 P CB 0.901 32.425 31.700 -0.294 0.000 0.823 214 L N 4.693 125.930 121.223 0.024 0.000 2.191 214 L HA -0.140 4.203 4.340 0.004 0.000 0.212 214 L C 2.005 179.005 176.870 0.217 0.000 1.103 214 L CA 1.963 56.862 54.840 0.098 0.000 0.769 214 L CB -1.303 40.725 42.059 -0.051 0.000 0.908 214 L HN 0.412 nan 8.230 nan 0.000 0.438 215 A N -0.654 122.249 122.820 0.138 0.000 2.070 215 A HA -0.045 4.278 4.320 0.004 0.000 0.220 215 A C 2.195 179.844 177.584 0.108 0.000 1.159 215 A CA 1.270 53.385 52.037 0.129 0.000 0.656 215 A CB -1.274 17.821 19.000 0.158 0.000 0.800 215 A HN 0.524 nan 8.150 nan 0.000 0.453 216 G N -1.772 107.092 108.800 0.108 0.000 2.813 216 G HA2 0.286 4.249 3.960 0.004 0.000 0.209 216 G HA3 0.286 4.249 3.960 0.004 0.000 0.209 216 G C 0.273 175.114 174.900 -0.097 0.000 1.150 216 G CA -0.270 44.813 45.100 -0.027 0.000 0.785 216 G HN 0.301 nan 8.290 nan 0.000 0.535 217 F N 1.072 121.005 119.950 -0.029 0.000 2.380 217 F HA 0.310 4.838 4.527 0.002 0.000 0.325 217 F C 0.480 176.271 175.800 -0.015 0.000 1.136 217 F CA -1.290 56.696 58.000 -0.023 0.000 1.171 217 F CB 0.589 39.573 39.000 -0.027 0.000 1.230 217 F HN -0.141 nan 8.300 nan 0.000 0.554 218 D N 0.985 121.468 120.400 0.139 0.000 2.533 218 D HA 0.275 4.918 4.640 0.004 0.000 0.236 218 D C 1.128 177.476 176.300 0.079 0.000 1.137 218 D CA 1.698 55.741 54.000 0.073 0.000 0.867 218 D CB 0.535 41.370 40.800 0.057 0.000 1.170 218 D HN 0.762 nan 8.370 nan 0.000 0.474 219 G N 2.519 111.350 108.800 0.050 0.000 2.212 219 G HA2 -0.327 3.635 3.960 0.004 0.000 0.266 219 G HA3 -0.327 3.635 3.960 0.004 0.000 0.266 219 G C 1.121 176.051 174.900 0.049 0.000 0.978 219 G CA 0.468 45.594 45.100 0.044 0.000 0.632 219 G HN 0.420 nan 8.290 nan 0.000 0.537 220 M N 0.222 119.863 119.600 0.069 0.000 2.435 220 M HA 0.383 4.866 4.480 0.004 0.000 0.265 220 M C 2.844 179.184 176.300 0.067 0.000 1.104 220 M CA 1.357 56.700 55.300 0.072 0.000 1.140 220 M CB -1.179 31.488 32.600 0.112 0.000 1.372 220 M HN 0.545 nan 8.290 nan 0.000 0.456 221 A N 1.417 124.272 122.820 0.058 0.000 1.908 221 A HA -0.201 4.122 4.320 0.004 0.000 0.218 221 A C 1.976 179.601 177.584 0.067 0.000 1.181 221 A CA 2.033 54.106 52.037 0.059 0.000 0.627 221 A CB -0.834 18.181 19.000 0.024 0.000 0.818 221 A HN 0.689 nan 8.150 nan 0.000 0.445 222 E N -0.043 120.187 120.200 0.049 0.000 2.482 222 E HA -0.140 4.213 4.350 0.004 0.000 0.196 222 E C 1.347 177.971 176.600 0.041 0.000 1.047 222 E CA 0.898 57.324 56.400 0.043 0.000 0.869 222 E CB -0.157 29.561 29.700 0.030 0.000 0.836 222 E HN 0.790 nan 8.360 nan 0.000 0.520 223 R N -0.261 120.265 120.500 0.043 0.000 2.566 223 R HA 0.245 4.588 4.340 0.004 0.000 0.388 223 R C -0.594 175.725 176.300 0.030 0.000 0.989 223 R CA -0.393 55.726 56.100 0.030 0.000 1.164 223 R CB 0.563 30.876 30.300 0.021 0.000 1.459 223 R HN -0.139 nan 8.270 nan 0.000 0.553 224 T N 2.023 116.607 114.554 0.050 0.000 2.807 224 T HA 0.446 4.798 4.350 0.004 0.000 0.279 224 T C -0.432 174.300 174.700 0.054 0.000 0.993 224 T CA -0.516 61.613 62.100 0.049 0.000 0.970 224 T CB 1.976 70.888 68.868 0.073 0.000 0.950 224 T HN 0.048 nan 8.240 nan 0.000 0.441 225 I N 3.620 124.202 120.570 0.020 0.000 2.312 225 I HA 0.253 4.426 4.170 0.004 0.000 0.290 225 I C 0.486 176.605 176.117 0.003 0.000 1.008 225 I CA -0.315 60.988 61.300 0.005 0.000 1.226 225 I CB 0.956 38.944 38.000 -0.021 0.000 1.371 225 I HN 0.579 nan 8.210 nan 0.000 0.468 226 T N 7.855 122.419 114.554 0.018 0.000 2.767 226 T HA 0.618 4.970 4.350 0.004 0.000 0.284 226 T C 0.175 174.876 174.700 0.002 0.000 0.973 226 T CA -0.232 61.891 62.100 0.039 0.000 0.996 226 T CB 1.111 70.058 68.868 0.132 0.000 0.927 226 T HN 0.264 nan 8.240 nan 0.000 0.456 227 I N 2.287 122.834 120.570 -0.039 0.000 2.509 227 I HA 0.640 4.813 4.170 0.004 0.000 0.293 227 I C 0.271 176.255 176.117 -0.221 0.000 1.020 227 I CA -0.432 60.792 61.300 -0.126 0.000 1.088 227 I CB 2.076 39.995 38.000 -0.135 0.000 1.267 227 I HN 0.580 nan 8.210 nan 0.000 0.430 228 S N 3.123 118.523 115.700 -0.500 0.000 2.843 228 S HA 0.780 5.253 4.470 0.004 0.000 0.301 228 S C -1.414 172.415 174.600 -1.285 0.000 1.206 228 S CA -0.404 57.395 58.200 -0.667 0.000 0.875 228 S CB 1.940 64.934 63.200 -0.343 0.000 1.248 228 S HN 0.661 nan 8.310 nan 0.000 0.555 229 S N -1.054 113.856 115.700 -1.318 0.000 2.578 229 S HA 0.612 5.085 4.470 0.004 0.000 0.272 229 S C 0.121 174.281 174.600 -0.734 0.000 1.145 229 S CA 0.211 57.692 58.200 -1.199 0.000 0.835 229 S CB 0.822 63.654 63.200 -0.612 0.000 1.104 229 S HN 1.396 nan 8.310 nan 0.000 0.458 230 A N 1.944 124.590 122.820 -0.290 0.000 2.167 230 A HA 0.587 4.909 4.320 0.004 0.000 0.214 230 A C 1.370 178.913 177.584 -0.069 0.000 1.151 230 A CA 1.126 53.237 52.037 0.124 0.000 0.735 230 A CB -1.158 18.130 19.000 0.480 0.000 0.802 230 A HN 1.484 nan 8.150 nan 0.000 0.467 234 F N 1.949 121.860 119.950 -0.065 0.000 2.735 234 F HA 0.452 4.982 4.527 0.004 0.000 0.304 234 F C 0.161 175.891 175.800 -0.117 0.000 1.119 234 F CA -0.300 57.666 58.000 -0.057 0.000 1.280 234 F CB 0.080 38.950 39.000 -0.216 0.000 0.994 234 F HN 0.256 nan 8.300 nan 0.000 0.520 235 N N 1.052 119.833 118.700 0.135 0.000 2.705 235 N HA -0.227 4.516 4.740 0.004 0.000 0.255 235 N C -0.503 174.909 175.510 -0.163 0.000 1.008 235 N CA 0.468 53.568 53.050 0.084 0.000 0.742 235 N CB -1.240 37.378 38.487 0.219 0.000 0.906 235 N HN 0.469 nan 8.380 nan 0.000 0.541 236 C N -1.828 117.303 119.300 -0.282 0.000 3.465 236 C HA 0.367 4.830 4.460 0.004 0.000 0.193 236 C C 1.816 176.594 174.990 -0.353 0.000 1.515 236 C CA -0.146 58.489 59.018 -0.638 0.000 1.340 236 C CB -0.780 26.131 27.740 -1.381 0.000 1.928 236 C HN 0.474 nan 8.230 nan 0.000 0.510 237 T N -1.803 112.658 114.554 -0.155 0.000 2.867 237 T HA 0.015 4.367 4.350 0.004 0.000 0.268 237 T C 1.744 176.419 174.700 -0.042 0.000 1.057 237 T CA 1.839 63.911 62.100 -0.047 0.000 1.136 237 T CB -0.426 68.478 68.868 0.060 0.000 0.874 237 T HN 0.838 nan 8.240 nan 0.000 0.466 238 G N -0.656 108.103 108.800 -0.068 0.000 2.848 238 G HA2 0.057 4.020 3.960 0.004 0.000 0.208 238 G HA3 0.057 4.020 3.960 0.004 0.000 0.208 238 G C 0.859 175.836 174.900 0.127 0.000 1.152 238 G CA -0.215 44.895 45.100 0.018 0.000 0.789 238 G HN 0.474 nan 8.290 nan 0.000 0.531 239 W N 0.038 121.140 121.300 -0.329 0.000 2.640 239 W HA 0.305 4.967 4.660 0.004 0.000 0.268 239 W C 0.832 177.234 176.519 -0.195 0.000 1.263 239 W CA -0.474 56.505 57.345 -0.610 0.000 1.344 239 W CB 0.286 29.191 29.460 -0.925 0.000 1.093 239 W HN 0.002 nan 8.180 nan 0.000 0.603 240 K N 0.399 120.876 120.400 0.128 0.000 3.244 240 K HA -0.186 4.137 4.320 0.004 0.000 0.270 240 K C -0.589 176.097 176.600 0.142 0.000 1.016 240 K CA 0.646 56.993 56.287 0.101 0.000 0.754 240 K CB -2.069 30.489 32.500 0.096 0.000 1.326 240 K HN 0.062 nan 8.250 nan 0.000 0.465 241 I N 1.048 121.723 120.570 0.175 0.000 2.347 241 I HA 0.280 4.453 4.170 0.004 0.000 0.283 241 I C 1.270 177.476 176.117 0.149 0.000 1.058 241 I CA -0.114 61.332 61.300 0.243 0.000 1.202 241 I CB 0.840 39.069 38.000 0.381 0.000 1.386 241 I HN 0.288 nan 8.210 nan 0.000 0.475 242 G N 5.432 114.264 108.800 0.054 0.000 3.013 242 G HA2 0.774 4.737 3.960 0.004 0.000 0.278 242 G HA3 0.774 4.737 3.960 0.004 0.000 0.278 242 G C -1.957 173.001 174.900 0.097 0.000 1.353 242 G CA -0.553 44.407 45.100 -0.234 0.000 1.043 242 G HN 0.555 nan 8.290 nan 0.000 0.523 243 W N -2.423 118.858 121.300 -0.031 0.000 3.248 243 W HA 0.763 5.425 4.660 0.003 0.000 0.311 243 W C -0.591 175.881 176.519 -0.078 0.000 1.258 243 W CA -1.494 55.820 57.345 -0.053 0.000 1.191 243 W CB 1.179 30.609 29.460 -0.050 0.000 1.389 243 W HN 0.821 nan 8.180 nan 0.000 0.561 244 A N 1.536 124.438 122.820 0.136 0.000 2.350 244 A HA 0.894 5.217 4.320 0.004 0.000 0.324 244 A C -1.213 176.352 177.584 -0.032 0.000 1.118 244 A CA -0.661 51.391 52.037 0.025 0.000 0.783 244 A CB 0.960 19.950 19.000 -0.017 0.000 1.236 244 A HN 0.890 nan 8.150 nan 0.000 0.457 245 C N 0.968 120.175 119.300 -0.155 0.000 2.547 245 C HA 1.014 5.476 4.460 0.004 0.000 0.313 245 C C 0.686 175.489 174.990 -0.312 0.000 1.191 245 C CA 0.256 58.975 59.018 -0.498 0.000 1.474 245 C CB 0.973 28.000 27.740 -1.188 0.000 2.081 245 C HN 1.570 nan 8.230 nan 0.000 0.476 246 G N 2.738 111.449 108.800 -0.149 0.000 2.325 246 G HA2 0.516 4.479 3.960 0.004 0.000 0.295 246 G HA3 0.516 4.479 3.960 0.004 0.000 0.295 246 G C -3.545 171.434 174.900 0.133 0.000 1.274 246 G CA -0.646 44.525 45.100 0.118 0.000 0.857 246 G HN 0.355 nan 8.290 nan 0.000 0.499 247 P HA 0.337 nan 4.420 nan 0.000 0.266 247 P C 0.963 178.297 177.300 0.056 0.000 1.195 247 P CA 0.771 63.923 63.100 0.086 0.000 0.768 247 P CB 1.146 32.884 31.700 0.063 0.000 0.838 248 A N 3.379 126.229 122.820 0.050 0.000 1.917 248 A HA -0.266 4.057 4.320 0.004 0.000 0.219 248 A C 2.130 179.727 177.584 0.022 0.000 1.182 248 A CA 1.999 54.055 52.037 0.033 0.000 0.633 248 A CB -1.263 17.755 19.000 0.030 0.000 0.819 248 A HN 0.668 nan 8.150 nan 0.000 0.448 249 E N -0.253 119.961 120.200 0.023 0.000 2.110 249 E HA -0.162 4.190 4.350 0.004 0.000 0.193 249 E C 1.897 178.505 176.600 0.013 0.000 0.988 249 E CA 1.164 57.574 56.400 0.017 0.000 0.804 249 E CB -0.184 29.526 29.700 0.017 0.000 0.745 249 E HN 0.664 nan 8.360 nan 0.000 0.458 250 L N 0.571 121.804 121.223 0.016 0.000 2.131 250 L HA -0.112 4.230 4.340 0.004 0.000 0.206 250 L C 2.480 179.352 176.870 0.003 0.000 1.087 250 L CA 0.250 55.096 54.840 0.009 0.000 0.767 250 L CB -0.274 41.793 42.059 0.013 0.000 0.917 250 L HN 0.257 nan 8.230 nan 0.000 0.441 251 I N 0.587 121.159 120.570 0.004 0.000 2.361 251 I HA -0.243 3.930 4.170 0.004 0.000 0.251 251 I C 2.804 178.917 176.117 -0.007 0.000 1.133 251 I CA 1.458 62.755 61.300 -0.006 0.000 1.413 251 I CB -1.162 36.833 38.000 -0.008 0.000 1.073 251 I HN 0.179 nan 8.210 nan 0.000 0.424 252 A N 0.831 123.651 122.820 -0.001 0.000 1.933 252 A HA -0.082 4.240 4.320 0.004 0.000 0.218 252 A C 2.500 180.084 177.584 0.001 0.000 1.175 252 A CA 1.755 53.791 52.037 -0.000 0.000 0.628 252 A CB -1.208 17.796 19.000 0.006 0.000 0.814 252 A HN 0.417 nan 8.150 nan 0.000 0.444 253 G N -0.534 108.268 108.800 0.003 0.000 2.402 253 G HA2 -0.070 3.892 3.960 0.004 0.000 0.216 253 G HA3 -0.070 3.892 3.960 0.004 0.000 0.216 253 G C 1.494 176.394 174.900 0.001 0.000 1.162 253 G CA 1.194 46.297 45.100 0.005 0.000 0.777 253 G HN 0.311 nan 8.290 nan 0.000 0.539 254 V N 0.807 120.716 119.914 -0.008 0.000 2.287 254 V HA -0.195 3.928 4.120 0.004 0.000 0.248 254 V C 2.745 178.828 176.094 -0.020 0.000 1.053 254 V CA 2.233 64.525 62.300 -0.014 0.000 1.027 254 V CB -0.545 31.266 31.823 -0.020 0.000 0.646 254 V HN 0.409 nan 8.190 nan 0.000 0.447 255 R N 0.328 120.813 120.500 -0.026 0.000 2.096 255 R HA -0.144 4.199 4.340 0.004 0.000 0.235 255 R C 2.273 178.533 176.300 -0.067 0.000 1.127 255 R CA 1.514 57.585 56.100 -0.048 0.000 0.968 255 R CB -0.489 29.784 30.300 -0.045 0.000 0.861 255 R HN 0.488 nan 8.270 nan 0.000 0.440 256 A N 0.446 123.251 122.820 -0.025 0.000 1.940 256 A HA -0.151 4.172 4.320 0.004 0.000 0.219 256 A C 2.281 179.899 177.584 0.056 0.000 1.176 256 A CA 1.870 53.914 52.037 0.013 0.000 0.631 256 A CB -0.709 18.323 19.000 0.053 0.000 0.814 256 A HN 0.556 nan 8.150 nan 0.000 0.446 257 A N -0.688 122.160 122.820 0.046 0.000 1.878 257 A HA 0.001 4.323 4.320 0.004 0.000 0.213 257 A C 2.128 179.739 177.584 0.044 0.000 1.192 257 A CA 1.533 53.623 52.037 0.087 0.000 0.619 257 A CB -0.412 18.620 19.000 0.052 0.000 0.837 257 A HN 0.356 nan 8.150 nan 0.000 0.446 258 K N 0.822 121.214 120.400 -0.014 0.000 2.113 258 K HA -0.254 4.069 4.320 0.004 0.000 0.208 258 K C 2.080 178.641 176.600 -0.066 0.000 1.047 258 K CA 2.128 58.397 56.287 -0.029 0.000 0.928 258 K CB -0.336 32.138 32.500 -0.042 0.000 0.716 258 K HN 0.799 nan 8.250 nan 0.000 0.446 259 Q N -1.302 118.385 119.800 -0.187 0.000 2.436 259 Q HA -0.135 4.208 4.340 0.004 0.000 0.209 259 Q C 0.547 176.359 176.000 -0.314 0.000 0.965 259 Q CA 1.081 56.735 55.803 -0.250 0.000 0.910 259 Q CB -0.154 28.349 28.738 -0.391 0.000 0.980 259 Q HN 0.333 nan 8.270 nan 0.000 0.491 260 Y N -0.074 120.259 120.300 0.055 0.000 2.467 260 Y HA 0.310 4.862 4.550 0.004 0.000 0.250 260 Y C 1.410 177.327 175.900 0.027 0.000 1.155 260 Y CA -0.378 57.738 58.100 0.028 0.000 1.249 260 Y CB 0.457 38.921 38.460 0.006 0.000 1.146 260 Y HN 0.023 nan 8.280 nan 0.000 0.524 261 L N -1.034 120.269 121.223 0.135 0.000 2.189 261 L HA -0.005 4.338 4.340 0.004 0.000 0.199 261 L C 2.064 178.982 176.870 0.079 0.000 1.074 261 L CA 1.441 56.336 54.840 0.092 0.000 0.783 261 L CB -0.234 41.861 42.059 0.059 0.000 0.955 261 L HN 0.170 nan 8.230 nan 0.000 0.460 262 S N -2.925 112.815 115.700 0.066 0.000 2.549 262 S HA 0.010 4.482 4.470 0.004 0.000 0.225 262 S C 1.081 175.743 174.600 0.103 0.000 1.039 262 S CA 0.147 58.389 58.200 0.070 0.000 0.942 262 S CB 0.188 63.413 63.200 0.041 0.000 0.881 262 S HN 0.419 nan 8.310 nan 0.000 0.503 263 Y N 2.201 122.451 120.300 -0.084 0.000 2.730 263 Y HA -0.442 4.110 4.550 0.004 0.000 0.479 263 Y C 0.220 176.043 175.900 -0.129 0.000 1.088 263 Y CA 2.219 60.220 58.100 -0.164 0.000 2.941 263 Y CB -1.571 36.737 38.460 -0.252 0.000 1.051 263 Y HN 0.879 nan 8.280 nan 0.000 0.592 264 V N -2.334 117.378 119.914 -0.337 0.000 3.181 264 V HA 1.060 5.182 4.120 0.004 0.000 0.307 264 V C 0.012 176.059 176.094 -0.079 0.000 1.310 264 V CA -0.246 61.851 62.300 -0.337 0.000 1.067 264 V CB 1.275 32.760 31.823 -0.563 0.000 1.081 264 V HN 1.560 nan 8.190 nan 0.000 0.453 265 G N -1.907 106.874 108.800 -0.031 0.000 2.506 265 G HA2 0.673 4.635 3.960 0.004 0.000 0.292 265 G HA3 0.673 4.635 3.960 0.004 0.000 0.292 265 G C 0.288 175.216 174.900 0.046 0.000 1.425 265 G CA -0.106 45.017 45.100 0.038 0.000 0.788 265 G HN 2.399 nan 8.290 nan 0.000 0.490 266 G N -1.066 107.763 108.800 0.048 0.000 2.256 266 G HA2 0.147 4.110 3.960 0.004 0.000 0.272 266 G HA3 0.147 4.110 3.960 0.004 0.000 0.272 266 G C 1.290 176.096 174.900 -0.156 0.000 1.076 266 G CA 1.250 46.396 45.100 0.077 0.000 0.882 266 G HN 2.052 nan 8.290 nan 0.000 0.497 267 A N 0.737 123.413 122.820 -0.239 0.000 1.865 267 A HA 0.055 4.378 4.320 0.004 0.000 0.217 267 A C 0.960 178.366 177.584 -0.296 0.000 1.191 267 A CA 2.374 54.286 52.037 -0.209 0.000 0.623 267 A CB -0.753 18.143 19.000 -0.173 0.000 0.826 267 A HN 0.531 nan 8.150 nan 0.000 0.444 268 P HA -0.027 nan 4.420 nan 0.000 0.231 268 P C 0.986 178.018 177.300 -0.447 0.000 1.168 268 P CA 0.670 63.482 63.100 -0.481 0.000 0.779 268 P CB -0.233 31.127 31.700 -0.567 0.000 0.844 269 F N 0.284 120.021 119.950 -0.356 0.000 2.456 269 F HA 0.019 4.549 4.527 0.004 0.000 0.298 269 F C 2.696 178.432 175.800 -0.106 0.000 1.104 269 F CA 0.251 58.002 58.000 -0.415 0.000 1.435 269 F CB -0.625 38.098 39.000 -0.462 0.000 1.078 269 F HN -0.105 nan 8.300 nan 0.000 0.546 270 Q N 0.938 120.780 119.800 0.069 0.000 2.046 270 Q HA -0.137 4.205 4.340 0.004 0.000 0.200 270 Q C -0.491 175.528 176.000 0.031 0.000 0.975 270 Q CA 1.402 57.249 55.803 0.074 0.000 0.836 270 Q CB -1.514 27.240 28.738 0.027 0.000 0.896 270 Q HN 0.315 nan 8.270 nan 0.000 0.428 271 P HA -0.124 nan 4.420 nan 0.000 0.218 271 P C 0.897 178.192 177.300 -0.008 0.000 1.149 271 P CA 1.711 64.797 63.100 -0.023 0.000 0.817 271 P CB -0.024 31.649 31.700 -0.044 0.000 0.785 272 A N -0.112 122.724 122.820 0.025 0.000 1.930 272 A HA -0.085 4.238 4.320 0.004 0.000 0.217 272 A C 2.441 180.053 177.584 0.047 0.000 1.175 272 A CA 1.566 53.641 52.037 0.064 0.000 0.627 272 A CB -1.543 17.557 19.000 0.166 0.000 0.815 272 A HN 0.068 nan 8.150 nan 0.000 0.443 273 V N -0.341 119.643 119.914 0.116 0.000 2.453 273 V HA -0.153 3.970 4.120 0.004 0.000 0.247 273 V C 3.020 179.087 176.094 -0.046 0.000 1.048 273 V CA 1.562 63.895 62.300 0.055 0.000 1.049 273 V CB -1.008 30.976 31.823 0.268 0.000 0.672 273 V HN 0.597 nan 8.190 nan 0.000 0.457 274 A N 0.123 122.925 122.820 -0.029 0.000 1.908 274 A HA -0.241 4.082 4.320 0.004 0.000 0.218 274 A C 2.169 179.700 177.584 -0.088 0.000 1.181 274 A CA 2.273 54.269 52.037 -0.069 0.000 0.627 274 A CB -0.601 18.363 19.000 -0.058 0.000 0.818 274 A HN 0.466 nan 8.150 nan 0.000 0.445 275 L N -0.323 120.844 121.223 -0.093 0.000 2.046 275 L HA -0.043 4.300 4.340 0.004 0.000 0.208 275 L C 2.648 179.420 176.870 -0.163 0.000 1.077 275 L CA 2.269 57.046 54.840 -0.104 0.000 0.747 275 L CB -0.840 41.164 42.059 -0.091 0.000 0.896 275 L HN 0.335 nan 8.230 nan 0.000 0.432 276 A N -0.469 122.168 122.820 -0.305 0.000 1.902 276 A HA -0.174 4.148 4.320 0.004 0.000 0.217 276 A C 2.283 179.688 177.584 -0.297 0.000 1.181 276 A CA 2.044 53.729 52.037 -0.587 0.000 0.623 276 A CB -0.947 17.217 19.000 -1.393 0.000 0.818 276 A HN 0.509 nan 8.150 nan 0.000 0.443 277 L N -0.607 120.550 121.223 -0.110 0.000 2.046 277 L HA -0.190 4.153 4.340 0.004 0.000 0.208 277 L C 2.042 178.940 176.870 0.048 0.000 1.077 277 L CA 1.478 56.404 54.840 0.144 0.000 0.747 277 L CB -0.521 41.561 42.059 0.037 0.000 0.896 277 L HN 0.301 nan 8.230 nan 0.000 0.432 278 D N -1.024 119.362 120.400 -0.023 0.000 2.178 278 D HA -0.119 4.523 4.640 0.004 0.000 0.202 278 D C 2.017 178.322 176.300 0.008 0.000 0.974 278 D CA 1.909 55.896 54.000 -0.021 0.000 0.841 278 D CB 0.122 40.899 40.800 -0.038 0.000 0.953 278 D HN 0.421 nan 8.370 nan 0.000 0.478 279 T N -3.437 111.122 114.554 0.008 0.000 2.975 279 T HA 0.143 4.496 4.350 0.004 0.000 0.261 279 T C 1.026 175.768 174.700 0.071 0.000 0.984 279 T CA -0.259 61.856 62.100 0.024 0.000 0.911 279 T CB 0.550 69.412 68.868 -0.011 0.000 1.127 279 T HN -0.201 nan 8.240 nan 0.000 0.514 280 E N 1.502 121.770 120.200 0.115 0.000 2.569 280 E HA 0.181 4.534 4.350 0.004 0.000 0.205 280 E C 0.305 177.125 176.600 0.368 0.000 1.006 280 E CA -0.083 56.442 56.400 0.209 0.000 0.985 280 E CB 0.324 30.081 29.700 0.095 0.000 1.060 280 E HN 0.402 nan 8.360 nan 0.000 0.460 281 D N 1.573 122.152 120.400 0.298 0.000 2.133 281 D HA -0.193 4.450 4.640 0.004 0.000 0.192 281 D C 1.819 178.260 176.300 0.236 0.000 1.001 281 D CA 1.699 55.870 54.000 0.284 0.000 0.844 281 D CB 0.058 41.000 40.800 0.237 0.000 0.944 281 D HN 0.265 nan 8.370 nan 0.000 0.447 282 A N -0.353 122.593 122.820 0.210 0.000 1.930 282 A HA -0.148 4.174 4.320 0.004 0.000 0.217 282 A C 2.169 179.875 177.584 0.204 0.000 1.175 282 A CA 1.383 53.520 52.037 0.167 0.000 0.627 282 A CB -1.193 17.890 19.000 0.137 0.000 0.815 282 A HN 0.447 nan 8.150 nan 0.000 0.443 283 W N 0.559 121.922 121.300 0.106 0.000 2.358 283 W HA -0.164 4.498 4.660 0.004 0.000 0.303 283 W C 1.911 178.509 176.519 0.133 0.000 1.208 283 W CA 2.145 59.557 57.345 0.113 0.000 1.274 283 W CB -0.155 29.377 29.460 0.121 0.000 1.138 283 W HN 0.104 nan 8.180 nan 0.000 0.515 284 V N 1.300 121.473 119.914 0.433 0.000 2.343 284 V HA -0.317 3.806 4.120 0.004 0.000 0.247 284 V C 2.478 178.609 176.094 0.061 0.000 1.051 284 V CA 2.159 64.609 62.300 0.250 0.000 1.036 284 V CB -1.744 30.255 31.823 0.293 0.000 0.654 284 V HN 0.339 nan 8.190 nan 0.000 0.451 285 A N -0.055 122.803 122.820 0.063 0.000 1.902 285 A HA -0.082 4.241 4.320 0.004 0.000 0.217 285 A C 2.421 179.985 177.584 -0.033 0.000 1.181 285 A CA 2.001 54.051 52.037 0.022 0.000 0.623 285 A CB -0.734 18.284 19.000 0.031 0.000 0.818 285 A HN 0.566 nan 8.150 nan 0.000 0.443 286 A N -0.471 122.293 122.820 -0.094 0.000 1.902 286 A HA -0.013 4.309 4.320 0.004 0.000 0.217 286 A C 2.101 179.547 177.584 -0.230 0.000 1.181 286 A CA 1.670 53.614 52.037 -0.157 0.000 0.623 286 A CB -0.638 18.247 19.000 -0.192 0.000 0.818 286 A HN 0.639 nan 8.150 nan 0.000 0.443 287 L N 0.252 121.238 121.223 -0.396 0.000 1.990 287 L HA -0.222 4.121 4.340 0.004 0.000 0.213 287 L C 2.503 179.348 176.870 -0.041 0.000 1.072 287 L CA 2.694 57.343 54.840 -0.318 0.000 0.755 287 L CB -0.732 41.079 42.059 -0.415 0.000 0.889 287 L HN 0.523 nan 8.230 nan 0.000 0.432 288 R N -0.666 119.855 120.500 0.035 0.000 2.094 288 R HA -0.226 4.117 4.340 0.004 0.000 0.239 288 R C 2.107 178.506 176.300 0.166 0.000 1.137 288 R CA 2.003 58.187 56.100 0.139 0.000 0.943 288 R CB -0.424 29.928 30.300 0.086 0.000 0.850 288 R HN 0.507 nan 8.270 nan 0.000 0.433 289 N N 0.288 119.024 118.700 0.060 0.000 2.104 289 N HA -0.182 4.561 4.740 0.004 0.000 0.190 289 N C 1.785 177.282 175.510 -0.023 0.000 1.024 289 N CA 1.754 54.816 53.050 0.019 0.000 0.853 289 N CB -0.526 37.953 38.487 -0.014 0.000 1.008 289 N HN 0.256 nan 8.380 nan 0.000 0.424 290 S N 0.515 116.195 115.700 -0.034 0.000 2.383 290 S HA 0.031 4.504 4.470 0.004 0.000 0.227 290 S C 2.005 176.588 174.600 -0.030 0.000 1.026 290 S CA 0.551 58.722 58.200 -0.049 0.000 0.981 290 S CB -0.156 63.003 63.200 -0.068 0.000 0.818 290 S HN 0.234 nan 8.310 nan 0.000 0.472 291 L N 1.130 122.383 121.223 0.050 0.000 2.156 291 L HA 0.049 4.391 4.340 0.004 0.000 0.208 291 L C 2.968 179.725 176.870 -0.188 0.000 1.095 291 L CA 1.121 56.042 54.840 0.134 0.000 0.770 291 L CB -0.504 41.794 42.059 0.398 0.000 0.914 291 L HN 0.318 nan 8.230 nan 0.000 0.439 292 R N 0.779 121.093 120.500 -0.310 0.000 2.081 292 R HA -0.184 4.158 4.340 0.004 0.000 0.235 292 R C 2.206 178.174 176.300 -0.554 0.000 1.131 292 R CA 1.613 57.244 56.100 -0.781 0.000 0.960 292 R CB -0.209 29.851 30.300 -0.400 0.000 0.856 292 R HN 0.335 nan 8.270 nan 0.000 0.436 293 A N 1.097 123.727 122.820 -0.317 0.000 1.930 293 A HA -0.120 4.203 4.320 0.004 0.000 0.217 293 A C 2.237 179.642 177.584 -0.299 0.000 1.175 293 A CA 1.151 53.032 52.037 -0.260 0.000 0.627 293 A CB -0.369 18.536 19.000 -0.158 0.000 0.815 293 A HN 0.341 nan 8.150 nan 0.000 0.443 294 R N -1.012 119.315 120.500 -0.288 0.000 2.092 294 R HA -0.071 4.271 4.340 0.004 0.000 0.231 294 R C 2.510 178.489 176.300 -0.536 0.000 1.119 294 R CA 1.189 57.136 56.100 -0.254 0.000 0.970 294 R CB -0.317 29.954 30.300 -0.049 0.000 0.864 294 R HN 0.588 nan 8.270 nan 0.000 0.440 295 R N 1.209 121.037 120.500 -1.121 0.000 2.094 295 R HA -0.201 4.141 4.340 0.004 0.000 0.239 295 R C 1.191 177.022 176.300 -0.781 0.000 1.137 295 R CA 2.337 57.455 56.100 -1.636 0.000 0.943 295 R CB -0.252 28.937 30.300 -1.851 0.000 0.850 295 R HN 0.125 nan 8.270 nan 0.000 0.433 296 D N -0.293 119.755 120.400 -0.587 0.000 2.117 296 D HA -0.166 4.477 4.640 0.004 0.000 0.197 296 D C 1.985 178.114 176.300 -0.286 0.000 0.987 296 D CA 1.058 54.832 54.000 -0.378 0.000 0.829 296 D CB -0.287 40.331 40.800 -0.304 0.000 0.961 296 D HN 0.283 nan 8.370 nan 0.000 0.460 297 R N -0.061 120.275 120.500 -0.272 0.000 2.073 297 R HA -0.132 4.210 4.340 0.004 0.000 0.234 297 R C 2.199 178.386 176.300 -0.187 0.000 1.134 297 R CA 0.900 56.884 56.100 -0.193 0.000 0.952 297 R CB -0.361 29.841 30.300 -0.163 0.000 0.850 297 R HN 0.138 nan 8.270 nan 0.000 0.433 298 L N 0.431 121.521 121.223 -0.222 0.000 2.044 298 L HA 0.011 4.354 4.340 0.004 0.000 0.205 298 L C 2.237 178.965 176.870 -0.238 0.000 1.075 298 L CA 2.073 56.792 54.840 -0.202 0.000 0.747 298 L CB -0.688 41.284 42.059 -0.144 0.000 0.903 298 L HN 0.217 nan 8.230 nan 0.000 0.435 299 A N -0.303 122.369 122.820 -0.248 0.000 1.908 299 A HA -0.172 4.151 4.320 0.004 0.000 0.218 299 A C 2.442 179.925 177.584 -0.168 0.000 1.181 299 A CA 2.049 53.959 52.037 -0.212 0.000 0.627 299 A CB -1.227 17.645 19.000 -0.214 0.000 0.818 299 A HN 0.585 nan 8.150 nan 0.000 0.445 300 A N -0.733 121.991 122.820 -0.159 0.000 1.930 300 A HA 0.177 4.499 4.320 0.004 0.000 0.217 300 A C 2.379 179.907 177.584 -0.094 0.000 1.175 300 A CA 1.834 53.801 52.037 -0.116 0.000 0.627 300 A CB -1.242 17.691 19.000 -0.113 0.000 0.815 300 A HN 0.703 nan 8.150 nan 0.000 0.443 301 G N -0.197 108.536 108.800 -0.112 0.000 2.402 301 G HA2 -0.105 3.858 3.960 0.004 0.000 0.216 301 G HA3 -0.105 3.858 3.960 0.004 0.000 0.216 301 G C 1.548 176.404 174.900 -0.073 0.000 1.162 301 G CA 0.911 45.959 45.100 -0.087 0.000 0.777 301 G HN 0.410 nan 8.290 nan 0.000 0.539 302 L N 0.493 121.618 121.223 -0.163 0.000 2.046 302 L HA -0.103 4.240 4.340 0.004 0.000 0.208 302 L C 3.184 180.109 176.870 0.092 0.000 1.077 302 L CA 1.572 56.315 54.840 -0.163 0.000 0.747 302 L CB -0.861 40.885 42.059 -0.522 0.000 0.896 302 L HN 0.175 nan 8.230 nan 0.000 0.432 303 T N -0.988 113.569 114.554 0.006 0.000 2.708 303 T HA -0.245 4.107 4.350 0.004 0.000 0.266 303 T C 1.815 176.537 174.700 0.036 0.000 1.037 303 T CA 1.453 63.570 62.100 0.027 0.000 1.146 303 T CB -0.150 68.701 68.868 -0.029 0.000 0.865 303 T HN 0.344 nan 8.240 nan 0.000 0.435 304 E N 0.257 120.467 120.200 0.016 0.000 2.110 304 E HA -0.100 4.253 4.350 0.004 0.000 0.193 304 E C 2.173 178.801 176.600 0.045 0.000 0.988 304 E CA 0.827 57.237 56.400 0.017 0.000 0.804 304 E CB -0.189 29.511 29.700 -0.000 0.000 0.745 304 E HN 0.491 nan 8.360 nan 0.000 0.458 305 I N -0.610 120.016 120.570 0.094 0.000 2.226 305 I HA -0.186 3.986 4.170 0.004 0.000 0.245 305 I C 1.732 177.897 176.117 0.080 0.000 1.100 305 I CA 1.448 62.825 61.300 0.129 0.000 1.374 305 I CB 0.048 38.208 38.000 0.266 0.000 1.057 305 I HN 0.394 nan 8.210 nan 0.000 0.413 306 G N -0.788 108.072 108.800 0.100 0.000 2.321 306 G HA2 -0.143 3.820 3.960 0.004 0.000 0.174 306 G HA3 -0.143 3.820 3.960 0.004 0.000 0.174 306 G C 0.121 175.014 174.900 -0.012 0.000 1.008 306 G CA -0.774 44.332 45.100 0.011 0.000 0.739 306 G HN 0.103 nan 8.290 nan 0.000 0.502 307 F N 1.583 121.530 119.950 -0.005 0.000 2.496 307 F HA 0.518 5.048 4.527 0.004 0.000 0.344 307 F C 1.145 176.932 175.800 -0.022 0.000 1.155 307 F CA 0.494 58.492 58.000 -0.003 0.000 1.302 307 F CB 1.048 40.041 39.000 -0.012 0.000 1.159 307 F HN 0.224 nan 8.300 nan 0.000 0.595 308 A N 2.997 125.927 122.820 0.182 0.000 2.279 308 A HA 0.578 4.901 4.320 0.004 0.000 0.306 308 A C -0.766 176.883 177.584 0.110 0.000 1.300 308 A CA -0.552 51.529 52.037 0.072 0.000 0.925 308 A CB -0.051 18.950 19.000 0.002 0.000 1.152 308 A HN 0.509 nan 8.150 nan 0.000 0.544 309 V N 4.818 124.752 119.914 0.032 0.000 2.439 309 V HA 0.248 4.371 4.120 0.004 0.000 0.282 309 V C 0.284 176.362 176.094 -0.027 0.000 1.039 309 V CA -0.546 61.785 62.300 0.053 0.000 0.913 309 V CB 0.980 32.795 31.823 -0.014 0.000 0.983 309 V HN 0.887 nan 8.190 nan 0.000 0.460 310 H N 1.967 121.076 119.070 0.065 0.000 2.488 310 H HA 0.282 4.841 4.556 0.004 0.000 0.347 310 H C -0.687 174.658 175.328 0.030 0.000 1.174 310 H CA -0.748 55.325 56.048 0.042 0.000 1.307 310 H CB 1.504 31.360 29.762 0.156 0.000 1.517 310 H HN 0.617 nan 8.280 nan 0.000 0.554 311 D N 0.605 121.046 120.400 0.068 0.000 2.399 311 D HA 0.027 4.669 4.640 0.004 0.000 0.241 311 D C 0.026 176.340 176.300 0.024 0.000 1.133 311 D CA 0.363 54.318 54.000 -0.074 0.000 0.890 311 D CB 1.063 41.754 40.800 -0.182 0.000 1.201 311 D HN 0.297 nan 8.370 nan 0.000 0.432 312 S N 1.319 116.958 115.700 -0.103 0.000 2.561 312 S HA 0.304 4.777 4.470 0.004 0.000 0.303 312 S C -0.379 174.212 174.600 -0.014 0.000 1.110 312 S CA -0.640 57.621 58.200 0.101 0.000 1.034 312 S CB 0.342 63.701 63.200 0.265 0.000 1.010 312 S HN 0.340 nan 8.310 nan 0.000 0.482 313 Y N 3.167 123.644 120.300 0.295 0.000 2.458 313 Y HA 0.473 5.026 4.550 0.005 0.000 0.256 313 Y C 1.408 177.383 175.900 0.126 0.000 1.159 313 Y CA 0.370 58.624 58.100 0.256 0.000 1.261 313 Y CB 0.907 39.460 38.460 0.155 0.000 1.119 313 Y HN 0.845 nan 8.280 nan 0.000 0.524 314 G N -1.163 107.777 108.800 0.233 0.000 2.430 314 G HA2 0.408 4.371 3.960 0.004 0.000 0.300 314 G HA3 0.408 4.371 3.960 0.004 0.000 0.300 314 G C -0.436 174.415 174.900 -0.080 0.000 1.330 314 G CA -0.228 44.728 45.100 -0.240 0.000 0.813 314 G HN 0.374 nan 8.290 nan 0.000 0.487 315 T N -3.311 111.024 114.554 -0.366 0.000 0.541 315 T HA -0.154 4.198 4.350 0.004 0.000 0.774 315 T C 0.380 174.787 174.700 -0.488 0.000 0.992 315 T CA 1.794 63.411 62.100 -0.804 0.000 4.077 315 T CB -1.132 67.139 68.868 -0.995 0.000 2.303 315 T HN 2.365 nan 8.240 nan 0.000 0.398 316 Y N 0.189 119.861 120.300 -1.047 0.000 2.708 316 Y HA 0.757 5.310 4.550 0.005 0.000 0.287 316 Y C -0.115 174.562 175.900 -2.037 0.000 1.145 316 Y CA -2.846 54.385 58.100 -1.447 0.000 1.249 316 Y CB -0.884 37.016 38.460 -0.934 0.000 1.152 316 Y HN 0.614 nan 8.280 nan 0.000 0.532 317 F N 1.861 121.468 119.950 -0.573 0.000 2.579 317 F HA 0.729 5.259 4.527 0.004 0.000 0.324 317 F C -0.491 175.403 175.800 0.156 0.000 1.058 317 F CA -1.645 56.210 58.000 -0.242 0.000 0.944 317 F CB 2.089 41.001 39.000 -0.147 0.000 1.245 317 F HN -0.119 nan 8.300 nan 0.000 0.477 318 L N -0.405 121.113 121.223 0.490 0.000 2.376 318 L HA 0.881 5.223 4.340 0.004 0.000 0.258 318 L C -1.397 175.692 176.870 0.365 0.000 1.013 318 L CA -1.149 53.950 54.840 0.430 0.000 0.822 318 L CB 1.378 43.679 42.059 0.404 0.000 1.388 318 L HN 0.622 nan 8.230 nan 0.000 0.413 319 C N 1.386 120.882 119.300 0.326 0.000 2.411 319 C HA 0.997 5.460 4.460 0.004 0.000 0.330 319 C C 0.426 175.638 174.990 0.371 0.000 1.224 319 C CA 0.013 59.213 59.018 0.304 0.000 1.770 319 C CB 0.609 28.460 27.740 0.186 0.000 2.297 319 C HN 1.144 nan 8.230 nan 0.000 0.507 320 A N 1.768 124.839 122.820 0.418 0.000 2.454 320 A HA 0.733 5.056 4.320 0.004 0.000 0.302 320 A C -1.513 176.340 177.584 0.448 0.000 1.079 320 A CA -0.246 52.037 52.037 0.410 0.000 0.731 320 A CB 1.247 20.364 19.000 0.196 0.000 1.299 320 A HN 0.774 nan 8.150 nan 0.000 0.413 321 D N 1.828 122.482 120.400 0.424 0.000 2.381 321 D HA 0.471 5.114 4.640 0.004 0.000 0.235 321 D C -2.009 174.428 176.300 0.228 0.000 1.068 321 D CA -1.820 52.358 54.000 0.297 0.000 0.832 321 D CB 1.913 42.858 40.800 0.241 0.000 1.101 321 D HN 0.172 nan 8.370 nan 0.000 0.515 322 P HA 0.107 nan 4.420 nan 0.000 0.255 322 P C 1.040 178.235 177.300 -0.175 0.000 1.248 322 P CA -0.022 62.902 63.100 -0.294 0.000 0.807 322 P CB 0.577 31.848 31.700 -0.714 0.000 1.150 323 R N 0.923 121.380 120.500 -0.071 0.000 2.103 323 R HA -0.115 4.228 4.340 0.004 0.000 0.242 323 R C -0.507 175.733 176.300 -0.099 0.000 1.142 323 R CA 1.979 58.038 56.100 -0.068 0.000 0.960 323 R CB -2.175 28.072 30.300 -0.089 0.000 0.858 323 R HN 0.308 nan 8.270 nan 0.000 0.439 324 P HA -0.114 nan 4.420 nan 0.000 0.225 324 P C 0.794 178.021 177.300 -0.122 0.000 1.148 324 P CA 1.167 64.205 63.100 -0.102 0.000 0.779 324 P CB 0.029 31.677 31.700 -0.086 0.000 0.780 325 L N -2.919 118.213 121.223 -0.152 0.000 2.446 325 L HA 0.263 4.606 4.340 0.004 0.000 0.219 325 L C 1.539 178.294 176.870 -0.190 0.000 1.116 325 L CA 0.799 55.571 54.840 -0.113 0.000 0.844 325 L CB -0.600 41.407 42.059 -0.086 0.000 0.970 325 L HN 0.112 nan 8.230 nan 0.000 0.457 326 G N -1.061 107.591 108.800 -0.247 0.000 2.168 326 G HA2 -0.255 3.707 3.960 0.004 0.000 0.197 326 G HA3 -0.255 3.707 3.960 0.004 0.000 0.197 326 G C -0.261 174.321 174.900 -0.530 0.000 0.997 326 G CA -0.673 44.194 45.100 -0.387 0.000 0.658 326 G HN 0.225 nan 8.290 nan 0.000 0.513 327 Y N 0.918 121.172 120.300 -0.076 0.000 2.491 327 Y HA 0.545 5.098 4.550 0.004 0.000 0.334 327 Y C 0.967 176.848 175.900 -0.032 0.000 0.969 327 Y CA -0.570 57.505 58.100 -0.043 0.000 1.241 327 Y CB 1.579 39.985 38.460 -0.089 0.000 1.105 327 Y HN 0.120 nan 8.280 nan 0.000 0.503 328 D N 0.517 120.992 120.400 0.125 0.000 2.367 328 D HA -0.060 4.583 4.640 0.004 0.000 0.207 328 D C -0.402 175.980 176.300 0.137 0.000 1.034 328 D CA 0.586 54.682 54.000 0.161 0.000 0.861 328 D CB 0.456 41.322 40.800 0.109 0.000 0.943 328 D HN 0.382 nan 8.370 nan 0.000 0.515 329 D N -0.554 119.924 120.400 0.130 0.000 2.461 329 D HA 0.219 4.861 4.640 0.004 0.000 0.240 329 D C 0.258 176.640 176.300 0.137 0.000 1.094 329 D CA -0.172 53.878 54.000 0.082 0.000 0.868 329 D CB 1.483 42.334 40.800 0.086 0.000 1.062 329 D HN -0.217 nan 8.370 nan 0.000 0.530 330 S N 1.338 117.085 115.700 0.079 0.000 2.470 330 S HA -0.054 4.418 4.470 0.004 0.000 0.225 330 S C 1.769 176.461 174.600 0.155 0.000 1.006 330 S CA 0.595 58.884 58.200 0.147 0.000 0.934 330 S CB 0.332 63.585 63.200 0.088 0.000 0.778 330 S HN 0.550 nan 8.310 nan 0.000 0.517 331 T N 1.551 116.145 114.554 0.066 0.000 2.777 331 T HA -0.070 4.283 4.350 0.004 0.000 0.266 331 T C 1.811 176.534 174.700 0.038 0.000 1.040 331 T CA 1.354 63.467 62.100 0.022 0.000 1.141 331 T CB -0.205 68.653 68.868 -0.018 0.000 0.868 331 T HN 0.385 nan 8.240 nan 0.000 0.444 332 E N 0.660 120.904 120.200 0.072 0.000 2.107 332 E HA -0.046 4.307 4.350 0.004 0.000 0.191 332 E C 1.723 178.384 176.600 0.101 0.000 0.982 332 E CA 0.623 57.066 56.400 0.072 0.000 0.809 332 E CB -0.468 29.282 29.700 0.084 0.000 0.756 332 E HN 0.412 nan 8.360 nan 0.000 0.459 333 F N 0.571 120.529 119.950 0.013 0.000 2.043 333 F HA -0.337 4.192 4.527 0.004 0.000 0.297 333 F C 2.137 177.902 175.800 -0.057 0.000 1.118 333 F CA 2.002 59.987 58.000 -0.025 0.000 1.202 333 F CB -0.751 38.255 39.000 0.010 0.000 0.965 333 F HN 0.175 nan 8.300 nan 0.000 0.482 334 C N 0.258 119.559 119.300 0.001 0.000 2.450 334 C HA 0.031 4.494 4.460 0.004 0.000 0.279 334 C C 3.121 178.013 174.990 -0.163 0.000 1.335 334 C CA 0.760 59.691 59.018 -0.145 0.000 1.749 334 C CB -1.878 25.824 27.740 -0.064 0.000 1.963 334 C HN 0.657 nan 8.230 nan 0.000 0.501 335 A N 0.822 123.580 122.820 -0.103 0.000 1.877 335 A HA 0.029 4.352 4.320 0.004 0.000 0.216 335 A C 2.332 179.850 177.584 -0.109 0.000 1.186 335 A CA 2.116 54.098 52.037 -0.092 0.000 0.620 335 A CB -0.894 18.073 19.000 -0.055 0.000 0.822 335 A HN 0.574 nan 8.150 nan 0.000 0.443 336 A N -1.306 121.439 122.820 -0.124 0.000 2.119 336 A HA 0.189 4.511 4.320 0.004 0.000 0.216 336 A C 1.968 179.433 177.584 -0.198 0.000 1.152 336 A CA 1.226 53.185 52.037 -0.130 0.000 0.708 336 A CB -0.441 18.501 19.000 -0.097 0.000 0.805 336 A HN 0.449 nan 8.150 nan 0.000 0.460 337 L N 0.492 121.533 121.223 -0.303 0.000 1.989 337 L HA -0.070 4.273 4.340 0.004 0.000 0.211 337 L C -0.664 176.087 176.870 -0.198 0.000 1.071 337 L CA 2.458 57.081 54.840 -0.362 0.000 0.749 337 L CB -1.158 40.621 42.059 -0.468 0.000 0.890 337 L HN 0.162 nan 8.230 nan 0.000 0.431 338 P HA -0.202 nan 4.420 nan 0.000 0.215 338 P C 1.418 178.677 177.300 -0.068 0.000 1.157 338 P CA 1.536 64.584 63.100 -0.087 0.000 0.868 338 P CB 0.076 31.734 31.700 -0.070 0.000 0.788 339 E N 0.060 120.220 120.200 -0.068 0.000 2.107 339 E HA -0.168 4.184 4.350 0.004 0.000 0.191 339 E C 2.000 178.572 176.600 -0.046 0.000 0.982 339 E CA 1.370 57.742 56.400 -0.047 0.000 0.809 339 E CB -0.517 29.159 29.700 -0.039 0.000 0.756 339 E HN 0.007 nan 8.360 nan 0.000 0.459 340 K N -0.924 119.435 120.400 -0.068 0.000 2.062 340 K HA 0.013 4.336 4.320 0.004 0.000 0.205 340 K C 1.470 178.041 176.600 -0.048 0.000 1.051 340 K CA 1.348 57.600 56.287 -0.057 0.000 0.941 340 K CB 0.258 32.706 32.500 -0.085 0.000 0.719 340 K HN 0.105 nan 8.250 nan 0.000 0.440 341 V N -1.599 118.275 119.914 -0.067 0.000 3.473 341 V HA 0.202 4.324 4.120 0.004 0.000 0.253 341 V C 0.570 176.648 176.094 -0.025 0.000 1.340 341 V CA 0.580 62.854 62.300 -0.044 0.000 1.103 341 V CB 1.183 32.963 31.823 -0.071 0.000 0.881 341 V HN 0.561 nan 8.190 nan 0.000 0.451 342 G N 1.063 109.841 108.800 -0.037 0.000 2.149 342 G HA2 -0.170 3.793 3.960 0.004 0.000 0.235 342 G HA3 -0.170 3.793 3.960 0.004 0.000 0.235 342 G C -0.169 174.724 174.900 -0.013 0.000 1.018 342 G CA 0.277 45.364 45.100 -0.021 0.000 0.728 342 G HN 0.543 nan 8.290 nan 0.000 0.508 343 V N -0.534 119.365 119.914 -0.024 0.000 2.876 343 V HA 0.915 5.037 4.120 0.004 0.000 0.312 343 V C 0.301 176.370 176.094 -0.043 0.000 1.085 343 V CA -0.408 61.889 62.300 -0.004 0.000 0.945 343 V CB 2.026 33.878 31.823 0.048 0.000 1.017 343 V HN 1.364 nan 8.190 nan 0.000 0.428 344 A N 2.461 125.260 122.820 -0.035 0.000 2.350 344 A HA 1.036 5.358 4.320 0.004 0.000 0.324 344 A C -0.222 177.305 177.584 -0.096 0.000 1.118 344 A CA 0.037 52.028 52.037 -0.077 0.000 0.783 344 A CB 1.663 20.626 19.000 -0.062 0.000 1.236 344 A HN 1.623 nan 8.150 nan 0.000 0.457 345 A N 1.335 124.047 122.820 -0.179 0.000 2.552 345 A HA 0.808 5.131 4.320 0.004 0.000 0.288 345 A C -1.254 176.185 177.584 -0.241 0.000 1.193 345 A CA -0.510 51.349 52.037 -0.296 0.000 0.713 345 A CB 0.875 19.462 19.000 -0.688 0.000 1.305 345 A HN 0.676 nan 8.150 nan 0.000 0.424 346 I N 1.595 122.026 120.570 -0.232 0.000 2.378 346 I HA 0.411 4.584 4.170 0.004 0.000 0.291 346 I C -2.428 173.629 176.117 -0.100 0.000 0.992 346 I CA -2.400 58.781 61.300 -0.200 0.000 1.154 346 I CB 1.094 38.996 38.000 -0.163 0.000 1.315 346 I HN 0.360 nan 8.210 nan 0.000 0.448 347 P HA 0.162 nan 4.420 nan 0.000 0.277 347 P C 0.516 177.853 177.300 0.062 0.000 1.240 347 P CA -0.520 62.571 63.100 -0.015 0.000 0.798 347 P CB 1.136 32.815 31.700 -0.035 0.000 0.979 348 M N 3.055 122.734 119.600 0.131 0.000 2.374 348 M HA -0.130 4.353 4.480 0.004 0.000 0.264 348 M C 1.819 178.219 176.300 0.167 0.000 1.067 348 M CA 1.824 57.268 55.300 0.240 0.000 1.103 348 M CB -1.545 31.163 32.600 0.179 0.000 1.402 348 M HN 0.400 nan 8.290 nan 0.000 0.444 349 S N 0.085 115.807 115.700 0.036 0.000 2.420 349 S HA -0.141 4.332 4.470 0.004 0.000 0.237 349 S C 2.082 176.609 174.600 -0.120 0.000 1.023 349 S CA 1.195 59.372 58.200 -0.037 0.000 0.991 349 S CB -1.255 61.916 63.200 -0.048 0.000 0.792 349 S HN 0.596 nan 8.310 nan 0.000 0.488 350 A N 0.306 122.975 122.820 -0.252 0.000 2.125 350 A HA 0.213 4.536 4.320 0.004 0.000 0.219 350 A C 1.355 178.608 177.584 -0.552 0.000 1.156 350 A CA 0.877 52.602 52.037 -0.521 0.000 0.671 350 A CB -0.726 17.672 19.000 -1.003 0.000 0.794 350 A HN 0.659 nan 8.150 nan 0.000 0.459 351 F N -2.056 117.778 119.950 -0.193 0.000 2.683 351 F HA 0.289 4.819 4.527 0.004 0.000 0.306 351 F C 0.409 175.703 175.800 -0.843 0.000 1.102 351 F CA -0.743 57.034 58.000 -0.371 0.000 1.244 351 F CB 0.118 38.896 39.000 -0.371 0.000 1.029 351 F HN -0.004 nan 8.300 nan 0.000 0.545 352 C N 0.293 119.362 119.300 -0.385 0.000 2.493 352 C HA 0.344 4.807 4.460 0.004 0.000 0.326 352 C C 0.018 174.981 174.990 -0.046 0.000 1.200 352 C CA -1.117 57.659 59.018 -0.404 0.000 1.739 352 C CB 1.338 28.944 27.740 -0.224 0.000 2.300 352 C HN 0.201 nan 8.230 nan 0.000 0.500 353 D N 2.522 122.993 120.400 0.119 0.000 2.401 353 D HA 0.170 4.812 4.640 0.004 0.000 0.254 353 D C -2.130 174.234 176.300 0.108 0.000 1.192 353 D CA -0.598 53.557 54.000 0.258 0.000 0.885 353 D CB 0.811 41.770 40.800 0.264 0.000 1.147 353 D HN 0.270 nan 8.370 nan 0.000 0.478 354 P HA 0.226 nan 4.420 nan 0.000 0.270 354 P C -0.276 177.050 177.300 0.042 0.000 1.242 354 P CA -0.241 62.885 63.100 0.043 0.000 0.768 354 P CB 0.477 32.190 31.700 0.022 0.000 0.820 365 V N -1.367 118.654 119.914 0.177 0.000 0.357 365 V HA -0.320 3.802 4.120 0.004 0.000 0.092 365 V C 1.553 177.717 176.094 0.118 0.000 2.821 365 V CA 1.514 63.892 62.300 0.129 0.000 3.855 365 V CB -1.459 30.294 31.823 -0.117 0.000 1.101 365 V HN 0.408 nan 8.190 nan 0.000 1.160 366 W N 0.956 122.342 121.300 0.143 0.000 2.318 366 W HA -0.246 4.416 4.660 0.004 0.000 0.313 366 W C 2.128 178.665 176.519 0.031 0.000 1.221 366 W CA 2.120 59.496 57.345 0.052 0.000 1.266 366 W CB -0.543 28.919 29.460 0.003 0.000 1.150 366 W HN 0.534 nan 8.180 nan 0.000 0.496 367 N N -1.046 117.787 118.700 0.221 0.000 2.443 367 N HA -0.170 4.573 4.740 0.004 0.000 0.184 367 N C 1.446 176.895 175.510 -0.102 0.000 1.037 367 N CA 1.212 54.268 53.050 0.009 0.000 0.896 367 N CB -0.331 38.092 38.487 -0.106 0.000 0.959 367 N HN 0.242 nan 8.380 nan 0.000 0.442 368 H N -0.923 118.203 119.070 0.093 0.000 2.544 368 H HA 0.125 4.684 4.556 0.004 0.000 0.269 368 H C 0.283 175.658 175.328 0.077 0.000 0.970 368 H CA 0.080 56.166 56.048 0.065 0.000 1.219 368 H CB 0.485 30.273 29.762 0.044 0.000 1.421 368 H HN 0.206 nan 8.280 nan 0.000 0.555 369 L N 1.698 123.043 121.223 0.203 0.000 2.452 369 L HA 0.149 4.491 4.340 0.004 0.000 0.267 369 L C -0.025 176.934 176.870 0.148 0.000 1.188 369 L CA -0.244 54.700 54.840 0.173 0.000 0.821 369 L CB 1.233 43.369 42.059 0.129 0.000 1.102 369 L HN -0.166 nan 8.230 nan 0.000 0.470 370 V N 2.830 122.842 119.914 0.164 0.000 2.540 370 V HA 0.403 4.525 4.120 0.004 0.000 0.302 370 V C -0.027 176.065 176.094 -0.004 0.000 1.035 370 V CA -0.754 61.576 62.300 0.051 0.000 0.873 370 V CB 1.874 33.716 31.823 0.032 0.000 0.992 370 V HN 0.660 nan 8.190 nan 0.000 0.428 371 R N 3.109 123.547 120.500 -0.104 0.000 2.254 371 R HA 0.555 4.898 4.340 0.004 0.000 0.318 371 R C -1.651 174.547 176.300 -0.169 0.000 1.031 371 R CA -0.245 55.816 56.100 -0.065 0.000 0.905 371 R CB 0.613 30.828 30.300 -0.142 0.000 1.050 371 R HN 0.548 nan 8.270 nan 0.000 0.456 372 F N 1.054 121.077 119.950 0.122 0.000 2.492 372 F HA 0.337 4.867 4.527 0.004 0.000 0.327 372 F C 0.504 176.423 175.800 0.198 0.000 1.079 372 F CA -0.568 57.506 58.000 0.124 0.000 0.967 372 F CB 2.330 41.368 39.000 0.063 0.000 1.169 372 F HN 0.300 nan 8.300 nan 0.000 0.472 373 T N 3.342 118.082 114.554 0.311 0.000 2.829 373 T HA 0.317 4.670 4.350 0.004 0.000 0.282 373 T C 0.105 174.801 174.700 -0.006 0.000 0.990 373 T CA -0.292 61.852 62.100 0.072 0.000 1.028 373 T CB 0.489 69.362 68.868 0.008 0.000 0.951 373 T HN 0.475 nan 8.240 nan 0.000 0.460 374 F N -0.626 119.275 119.950 -0.081 0.000 2.683 374 F HA 0.291 4.821 4.527 0.004 0.000 0.306 374 F C 1.199 176.887 175.800 -0.187 0.000 1.102 374 F CA -1.394 56.539 58.000 -0.112 0.000 1.244 374 F CB -1.167 37.778 39.000 -0.092 0.000 1.029 374 F HN 0.520 nan 8.300 nan 0.000 0.545 375 C N 1.189 120.237 119.300 -0.420 0.000 3.305 375 C HA 0.524 4.986 4.460 0.004 0.000 0.566 375 C C 0.178 175.011 174.990 -0.262 0.000 1.178 375 C CA -0.816 57.967 59.018 -0.391 0.000 1.317 375 C CB -1.921 25.255 27.740 -0.939 0.000 1.634 375 C HN 0.190 nan 8.230 nan 0.000 0.643 376 K N 0.993 121.322 120.400 -0.118 0.000 2.350 376 K HA 0.496 4.818 4.320 0.004 0.000 0.241 376 K C -0.088 176.495 176.600 -0.029 0.000 0.994 376 K CA -0.543 55.697 56.287 -0.079 0.000 0.839 376 K CB 1.377 33.842 32.500 -0.059 0.000 1.244 376 K HN 0.539 nan 8.250 nan 0.000 0.443 377 R N 1.025 121.517 120.500 -0.014 0.000 2.698 377 R HA -0.054 4.289 4.340 0.004 0.000 0.266 377 R C 0.432 176.727 176.300 -0.008 0.000 1.026 377 R CA -0.253 55.845 56.100 -0.003 0.000 1.102 377 R CB 0.051 30.355 30.300 0.006 0.000 0.978 377 R HN 0.532 nan 8.270 nan 0.000 0.436 378 D N 1.947 122.341 120.400 -0.011 0.000 2.230 378 D HA -0.226 4.417 4.640 0.004 0.000 0.189 378 D C 1.195 177.485 176.300 -0.017 0.000 1.006 378 D CA 1.797 55.785 54.000 -0.020 0.000 0.853 378 D CB -0.182 40.605 40.800 -0.022 0.000 0.959 378 D HN 0.551 nan 8.370 nan 0.000 0.449 379 D N -0.547 119.848 120.400 -0.009 0.000 2.182 379 D HA -0.095 4.548 4.640 0.004 0.000 0.201 379 D C 2.008 178.305 176.300 -0.004 0.000 0.986 379 D CA 1.167 55.164 54.000 -0.006 0.000 0.847 379 D CB -0.433 40.367 40.800 0.000 0.000 0.942 379 D HN 0.242 nan 8.370 nan 0.000 0.467 380 T N 1.050 115.602 114.554 -0.003 0.000 2.857 380 T HA -0.076 4.277 4.350 0.004 0.000 0.266 380 T C 1.896 176.594 174.700 -0.002 0.000 1.048 380 T CA 0.182 62.281 62.100 -0.001 0.000 1.139 380 T CB -0.065 68.803 68.868 -0.001 0.000 0.874 380 T HN -0.005 nan 8.240 nan 0.000 0.455 381 L N 1.815 123.033 121.223 -0.008 0.000 1.989 381 L HA -0.083 4.259 4.340 0.004 0.000 0.211 381 L C 2.149 179.005 176.870 -0.023 0.000 1.071 381 L CA 1.772 56.604 54.840 -0.014 0.000 0.749 381 L CB -1.144 40.902 42.059 -0.021 0.000 0.890 381 L HN 0.166 nan 8.230 nan 0.000 0.431 382 D N -0.920 119.466 120.400 -0.024 0.000 2.123 382 D HA -0.219 4.423 4.640 0.004 0.000 0.196 382 D C 2.171 178.465 176.300 -0.011 0.000 0.992 382 D CA 1.186 55.172 54.000 -0.022 0.000 0.833 382 D CB 0.044 40.832 40.800 -0.019 0.000 0.954 382 D HN 0.324 nan 8.370 nan 0.000 0.455 383 E N 0.836 121.034 120.200 -0.004 0.000 2.072 383 E HA -0.062 4.291 4.350 0.004 0.000 0.191 383 E C 1.890 178.496 176.600 0.011 0.000 0.985 383 E CA 1.412 57.814 56.400 0.004 0.000 0.801 383 E CB -0.439 29.265 29.700 0.007 0.000 0.750 383 E HN 0.129 nan 8.360 nan 0.000 0.452 384 A N 0.817 123.644 122.820 0.011 0.000 1.884 384 A HA -0.226 4.097 4.320 0.004 0.000 0.219 384 A C 2.416 180.010 177.584 0.018 0.000 1.197 384 A CA 1.991 54.042 52.037 0.023 0.000 0.637 384 A CB -0.980 18.037 19.000 0.028 0.000 0.827 384 A HN 0.385 nan 8.150 nan 0.000 0.450 385 I N -0.875 119.690 120.570 -0.008 0.000 2.163 385 I HA -0.297 3.876 4.170 0.004 0.000 0.243 385 I C 2.804 178.933 176.117 0.021 0.000 1.085 385 I CA 1.551 62.843 61.300 -0.012 0.000 1.347 385 I CB -0.335 37.641 38.000 -0.040 0.000 1.044 385 I HN 0.300 nan 8.210 nan 0.000 0.408 386 R N 0.400 120.910 120.500 0.016 0.000 2.083 386 R HA -0.159 4.184 4.340 0.004 0.000 0.237 386 R C 2.464 178.786 176.300 0.036 0.000 1.137 386 R CA 1.384 57.498 56.100 0.023 0.000 0.951 386 R CB -0.435 29.874 30.300 0.014 0.000 0.851 386 R HN 0.387 nan 8.270 nan 0.000 0.434 387 R N 0.669 121.190 120.500 0.036 0.000 2.073 387 R HA -0.082 4.261 4.340 0.004 0.000 0.234 387 R C 2.421 178.760 176.300 0.065 0.000 1.134 387 R CA 1.256 57.380 56.100 0.040 0.000 0.952 387 R CB -0.472 29.847 30.300 0.032 0.000 0.850 387 R HN 0.180 nan 8.270 nan 0.000 0.433 388 L N 1.021 122.300 121.223 0.093 0.000 2.187 388 L HA -0.176 4.167 4.340 0.004 0.000 0.213 388 L C 2.507 179.485 176.870 0.179 0.000 1.100 388 L CA 1.329 56.271 54.840 0.171 0.000 0.765 388 L CB -0.523 41.671 42.059 0.224 0.000 0.904 388 L HN 0.326 nan 8.230 nan 0.000 0.437 389 S N -0.354 115.419 115.700 0.122 0.000 2.469 389 S HA -0.128 4.345 4.470 0.004 0.000 0.238 389 S C 1.880 176.534 174.600 0.090 0.000 0.998 389 S CA 1.000 59.263 58.200 0.105 0.000 0.957 389 S CB -0.868 62.373 63.200 0.067 0.000 0.764 389 S HN 0.380 nan 8.310 nan 0.000 0.514 390 V N -0.106 119.858 119.914 0.084 0.000 2.759 390 V HA 0.061 4.183 4.120 0.004 0.000 0.256 390 V C 2.123 178.275 176.094 0.097 0.000 1.080 390 V CA 1.235 63.579 62.300 0.074 0.000 1.101 390 V CB -1.207 30.650 31.823 0.056 0.000 0.698 390 V HN 0.541 nan 8.190 nan 0.000 0.477 391 L N 0.907 122.206 121.223 0.126 0.000 2.353 391 L HA 0.147 4.490 4.340 0.004 0.000 0.220 391 L C 1.937 178.893 176.870 0.144 0.000 1.133 391 L CA 0.709 55.655 54.840 0.177 0.000 0.798 391 L CB -0.879 41.288 42.059 0.181 0.000 0.922 391 L HN 0.488 nan 8.230 nan 0.000 0.445 392 A N 0.000 122.873 122.820 0.088 0.000 2.254 392 A HA 0.000 4.323 4.320 0.004 0.000 0.244 392 A CA 0.000 52.066 52.037 0.047 0.000 0.836 392 A CB 0.000 19.025 19.000 0.041 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486