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 1qax_1_A DATA FIRST_RESID 4 DATA SEQUENCE DSRLPAFRNL SPAARLDHIG QLLGLSHDDV SLLANAGALP MDIANGMIEN DATA SEQUENCE VIGTFELPYA VASNFQINGR DVLVPLVVEE PSIVAAASYM AKLARANGGF DATA SEQUENCE TTSSSAPLMH AQVQIVGIQD PLNARLSLLR RKDEIIELAN RKDQLLNSLG DATA SEQUENCE GGCRDIEVHT FADTPRGPML VAHLIVDVRD AMGANTVNTM AEAVAPLMEA DATA SEQUENCE ITGGQVRLRI LSNLADLRLA RAQVRITPQQ LETAEFSGEA VIEGILDAYA DATA SEQUENCE FAAVDPYRAA THNKGIMNGI DPLIVATGND WRAVEAGAHA YACRSGHYGS DATA SEQUENCE LTTWEKDNNG HLVGTLEMPM PVGLVGGATK THPLAQLSLR ILGVKTAQAL DATA SEQUENCE AEIAVAVGLA QNLGAMRALA TEGIQRGHMA LHARNIAVVA GARGDEVDWV DATA SEQUENCE ARQLVEYHDV RADRAVALLK QKRGQ 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.290 176.300 -0.017 0.000 2.045 4 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 4 D CB 0.000 40.804 40.800 0.006 0.000 0.688 5 S N 2.946 118.643 115.700 -0.006 0.000 2.406 5 S HA -0.013 4.457 4.470 0.000 0.000 0.228 5 S C 1.000 175.584 174.600 -0.027 0.000 1.020 5 S CA 0.168 58.359 58.200 -0.014 0.000 0.965 5 S CB -0.177 63.043 63.200 0.033 0.000 0.798 5 S HN 0.473 nan 8.310 nan 0.000 0.488 6 R N 1.373 121.871 120.500 -0.003 0.000 2.480 6 R HA 0.255 4.595 4.340 0.000 0.000 0.303 6 R C -0.881 175.426 176.300 0.011 0.000 0.985 6 R CA 0.360 56.464 56.100 0.005 0.000 1.051 6 R CB -0.072 30.241 30.300 0.021 0.000 0.935 6 R HN 0.409 nan 8.270 nan 0.000 0.410 7 L N 6.237 127.457 121.223 -0.006 0.000 2.384 7 L HA 0.349 4.689 4.340 0.000 0.000 0.261 7 L C -1.952 174.987 176.870 0.114 0.000 1.024 7 L CA -2.185 52.672 54.840 0.029 0.000 0.899 7 L CB 1.514 43.392 42.059 -0.301 0.000 1.243 7 L HN 0.424 nan 8.230 nan 0.000 0.449 8 P HA 0.085 nan 4.420 nan 0.000 0.271 8 P C 0.604 177.961 177.300 0.095 0.000 1.220 8 P CA 0.206 63.358 63.100 0.087 0.000 0.768 8 P CB 1.556 33.290 31.700 0.056 0.000 0.848 9 A N 2.354 125.229 122.820 0.092 0.000 2.816 9 A HA -0.282 4.038 4.320 0.000 0.000 0.270 9 A C 0.973 178.619 177.584 0.102 0.000 1.413 9 A CA 0.916 52.995 52.037 0.070 0.000 0.866 9 A CB -2.992 16.022 19.000 0.024 0.000 1.032 9 A HN 0.511 nan 8.150 nan 0.000 0.642 10 F N 1.181 121.132 119.950 0.001 0.000 2.171 10 F HA -0.198 4.329 4.527 0.000 0.000 0.300 10 F C 2.421 178.236 175.800 0.026 0.000 1.090 10 F CA 2.224 60.237 58.000 0.022 0.000 1.293 10 F CB -0.133 38.908 39.000 0.068 0.000 1.013 10 F HN 0.602 nan 8.300 nan 0.000 0.486 11 R N -0.342 120.230 120.500 0.119 0.000 2.237 11 R HA -0.076 4.264 4.340 0.000 0.000 0.219 11 R C 1.134 177.417 176.300 -0.028 0.000 1.080 11 R CA 1.415 57.534 56.100 0.031 0.000 0.995 11 R CB -0.791 29.547 30.300 0.063 0.000 0.875 11 R HN 0.279 nan 8.270 nan 0.000 0.462 12 N N 0.512 119.194 118.700 -0.029 0.000 2.405 12 N HA 0.057 4.797 4.740 0.000 0.000 0.175 12 N C 0.069 175.540 175.510 -0.064 0.000 1.051 12 N CA 0.138 53.170 53.050 -0.030 0.000 0.899 12 N CB 0.083 38.563 38.487 -0.011 0.000 1.000 12 N HN 0.051 nan 8.380 nan 0.000 0.451 13 L N 1.798 122.945 121.223 -0.127 0.000 2.461 13 L HA 0.036 4.376 4.340 0.000 0.000 0.272 13 L C 1.075 177.848 176.870 -0.163 0.000 1.197 13 L CA 0.009 54.750 54.840 -0.164 0.000 0.836 13 L CB 0.382 42.277 42.059 -0.272 0.000 1.105 13 L HN 0.093 nan 8.230 nan 0.000 0.477 14 S N 2.936 118.569 115.700 -0.111 0.000 2.600 14 S HA 0.284 4.754 4.470 0.000 0.000 0.265 14 S C -1.813 172.719 174.600 -0.112 0.000 1.325 14 S CA -0.943 57.207 58.200 -0.084 0.000 1.002 14 S CB 0.416 63.583 63.200 -0.054 0.000 0.921 14 S HN 0.524 nan 8.310 nan 0.000 0.554 15 P HA -0.130 nan 4.420 nan 0.000 0.216 15 P C 1.535 178.804 177.300 -0.051 0.000 1.154 15 P CA 2.107 65.167 63.100 -0.067 0.000 0.865 15 P CB -0.228 31.455 31.700 -0.029 0.000 0.789 16 A N -0.324 122.473 122.820 -0.038 0.000 1.897 16 A HA -0.029 4.291 4.320 0.000 0.000 0.215 16 A C 2.311 179.888 177.584 -0.011 0.000 1.181 16 A CA 1.853 53.880 52.037 -0.018 0.000 0.620 16 A CB -1.541 17.449 19.000 -0.016 0.000 0.821 16 A HN 0.186 nan 8.150 nan 0.000 0.443 17 A N -0.141 122.659 122.820 -0.034 0.000 1.972 17 A HA -0.140 4.180 4.320 0.000 0.000 0.219 17 A C 2.228 179.808 177.584 -0.006 0.000 1.169 17 A CA 1.444 53.467 52.037 -0.023 0.000 0.635 17 A CB -0.417 18.552 19.000 -0.053 0.000 0.810 17 A HN 0.554 nan 8.150 nan 0.000 0.446 18 R N -1.291 119.149 120.500 -0.100 0.000 2.075 18 R HA -0.045 4.295 4.340 0.000 0.000 0.232 18 R C 2.015 178.426 176.300 0.186 0.000 1.126 18 R CA 1.281 57.302 56.100 -0.132 0.000 0.963 18 R CB -0.483 29.469 30.300 -0.579 0.000 0.858 18 R HN 0.460 nan 8.270 nan 0.000 0.435 19 L N 1.414 122.699 121.223 0.104 0.000 2.201 19 L HA -0.127 4.213 4.340 0.000 0.000 0.212 19 L C 1.213 178.156 176.870 0.121 0.000 1.105 19 L CA 1.821 56.733 54.840 0.119 0.000 0.775 19 L CB -0.312 41.783 42.059 0.059 0.000 0.913 19 L HN 0.070 nan 8.230 nan 0.000 0.440 20 D N -1.708 118.763 120.400 0.119 0.000 2.123 20 D HA -0.201 4.439 4.640 0.000 0.000 0.200 20 D C 1.926 178.330 176.300 0.173 0.000 0.976 20 D CA 1.285 55.356 54.000 0.117 0.000 0.831 20 D CB -0.090 40.767 40.800 0.095 0.000 0.974 20 D HN 0.476 nan 8.370 nan 0.000 0.469 21 H N 0.807 119.952 119.070 0.125 0.000 2.353 21 H HA -0.023 4.533 4.556 0.000 0.000 0.300 21 H C 1.942 177.360 175.328 0.151 0.000 1.090 21 H CA 1.016 57.161 56.048 0.160 0.000 1.327 21 H CB -0.140 29.781 29.762 0.264 0.000 1.383 21 H HN -0.009 nan 8.280 nan 0.000 0.508 22 I N 0.023 120.682 120.570 0.148 0.000 2.546 22 I HA -0.083 4.087 4.170 0.000 0.000 0.255 22 I C 2.546 178.668 176.117 0.008 0.000 1.163 22 I CA 1.230 62.551 61.300 0.035 0.000 1.457 22 I CB -1.508 36.577 38.000 0.142 0.000 1.092 22 I HN 0.436 nan 8.210 nan 0.000 0.434 23 G N 0.280 109.107 108.800 0.044 0.000 2.402 23 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 23 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 23 G C 1.566 176.475 174.900 0.015 0.000 1.162 23 G CA 0.172 45.292 45.100 0.033 0.000 0.777 23 G HN 0.399 nan 8.290 nan 0.000 0.539 24 Q N -0.458 119.350 119.800 0.014 0.000 2.123 24 Q HA 0.117 4.457 4.340 0.000 0.000 0.199 24 Q C 2.507 178.490 176.000 -0.028 0.000 0.966 24 Q CA 0.650 56.458 55.803 0.008 0.000 0.845 24 Q CB -0.175 28.585 28.738 0.036 0.000 0.907 24 Q HN 0.460 nan 8.270 nan 0.000 0.439 25 L N 0.537 121.706 121.223 -0.090 0.000 1.976 25 L HA -0.199 4.141 4.340 0.000 0.000 0.209 25 L C 2.047 178.880 176.870 -0.062 0.000 1.071 25 L CA 1.304 56.074 54.840 -0.116 0.000 0.746 25 L CB -0.093 41.826 42.059 -0.233 0.000 0.890 25 L HN 0.225 nan 8.230 nan 0.000 0.432 26 L N -0.478 120.715 121.223 -0.050 0.000 2.291 26 L HA 0.050 4.390 4.340 0.000 0.000 0.214 26 L C 1.366 178.228 176.870 -0.013 0.000 1.120 26 L CA 0.637 55.461 54.840 -0.026 0.000 0.799 26 L CB -0.684 41.365 42.059 -0.016 0.000 0.925 26 L HN 0.612 nan 8.230 nan 0.000 0.446 27 G N 0.901 109.696 108.800 -0.008 0.000 2.212 27 G HA2 -0.258 3.702 3.960 0.000 0.000 0.255 27 G HA3 -0.258 3.702 3.960 0.000 0.000 0.255 27 G C 0.081 174.984 174.900 0.005 0.000 1.062 27 G CA -0.277 44.825 45.100 0.003 0.000 0.815 27 G HN 0.198 nan 8.290 nan 0.000 0.497 28 L N 1.167 122.394 121.223 0.006 0.000 2.439 28 L HA 0.422 4.762 4.340 0.000 0.000 0.269 28 L C 1.575 178.447 176.870 0.004 0.000 1.179 28 L CA 0.026 54.866 54.840 0.001 0.000 0.828 28 L CB 0.835 42.895 42.059 0.003 0.000 1.106 28 L HN 0.498 nan 8.230 nan 0.000 0.467 29 S N -0.544 115.140 115.700 -0.028 0.000 2.600 29 S HA 0.039 4.509 4.470 0.000 0.000 0.265 29 S C 0.937 175.495 174.600 -0.070 0.000 1.325 29 S CA -0.207 57.956 58.200 -0.061 0.000 1.002 29 S CB 0.547 63.652 63.200 -0.158 0.000 0.921 29 S HN 0.776 nan 8.310 nan 0.000 0.554 30 H N -0.726 118.345 119.070 0.002 0.000 2.491 30 H HA 0.056 4.612 4.556 0.000 0.000 0.290 30 H C 0.874 176.201 175.328 -0.002 0.000 1.050 30 H CA 1.324 57.373 56.048 0.001 0.000 1.309 30 H CB -0.348 29.415 29.762 0.001 0.000 1.392 30 H HN 0.559 nan 8.280 nan 0.000 0.554 31 D N 1.045 121.176 120.400 -0.448 0.000 2.149 31 D HA -0.117 4.523 4.640 0.000 0.000 0.201 31 D C 1.347 177.578 176.300 -0.115 0.000 0.972 31 D CA 1.051 54.903 54.000 -0.248 0.000 0.835 31 D CB -0.087 40.545 40.800 -0.281 0.000 0.966 31 D HN 0.475 nan 8.370 nan 0.000 0.476 32 D N 0.442 120.778 120.400 -0.106 0.000 2.123 32 D HA -0.074 4.566 4.640 0.000 0.000 0.200 32 D C 2.293 178.569 176.300 -0.040 0.000 0.976 32 D CA 0.348 54.312 54.000 -0.059 0.000 0.831 32 D CB -0.084 40.688 40.800 -0.046 0.000 0.974 32 D HN 0.036 nan 8.370 nan 0.000 0.469 33 V N 0.914 120.815 119.914 -0.021 0.000 2.594 33 V HA -0.168 3.952 4.120 0.000 0.000 0.253 33 V C 2.341 178.429 176.094 -0.009 0.000 1.069 33 V CA 1.391 63.690 62.300 -0.002 0.000 1.082 33 V CB -0.312 31.529 31.823 0.029 0.000 0.680 33 V HN 0.119 nan 8.190 nan 0.000 0.469 34 S N -0.198 115.498 115.700 -0.006 0.000 2.428 34 S HA 0.029 4.499 4.470 0.000 0.000 0.230 34 S C 1.854 176.438 174.600 -0.025 0.000 1.014 34 S CA 0.878 59.075 58.200 -0.005 0.000 0.957 34 S CB -0.206 63.002 63.200 0.012 0.000 0.784 34 S HN 0.478 nan 8.310 nan 0.000 0.499 35 L N 0.722 121.922 121.223 -0.038 0.000 2.127 35 L HA -0.093 4.247 4.340 0.000 0.000 0.211 35 L C 1.917 178.743 176.870 -0.073 0.000 1.089 35 L CA 1.115 55.927 54.840 -0.048 0.000 0.757 35 L CB -0.373 41.657 42.059 -0.048 0.000 0.899 35 L HN 0.322 nan 8.230 nan 0.000 0.434 36 L N -1.671 119.496 121.223 -0.093 0.000 2.357 36 L HA 0.079 4.419 4.340 0.000 0.000 0.211 36 L C 2.691 179.519 176.870 -0.070 0.000 1.075 36 L CA 0.562 55.324 54.840 -0.130 0.000 0.830 36 L CB -0.420 41.531 42.059 -0.179 0.000 0.996 36 L HN 0.109 nan 8.230 nan 0.000 0.467 37 A N -0.195 122.600 122.820 -0.041 0.000 1.872 37 A HA -0.042 4.278 4.320 0.000 0.000 0.214 37 A C 1.015 178.585 177.584 -0.022 0.000 1.187 37 A CA 0.850 52.873 52.037 -0.023 0.000 0.614 37 A CB -0.361 18.634 19.000 -0.008 0.000 0.826 37 A HN 0.362 nan 8.150 nan 0.000 0.442 38 N N 0.364 119.052 118.700 -0.021 0.000 2.438 38 N HA 0.472 5.212 4.740 0.000 0.000 0.282 38 N C -0.272 175.224 175.510 -0.022 0.000 1.037 38 N CA 0.128 53.166 53.050 -0.019 0.000 0.942 38 N CB 1.476 39.956 38.487 -0.013 0.000 1.136 38 N HN 0.391 nan 8.380 nan 0.000 0.481 39 A N 0.919 123.727 122.820 -0.021 0.000 2.406 39 A HA 0.483 4.803 4.320 0.000 0.000 0.243 39 A C 1.240 178.813 177.584 -0.018 0.000 1.082 39 A CA 0.637 52.662 52.037 -0.019 0.000 0.786 39 A CB -0.139 18.849 19.000 -0.020 0.000 1.029 39 A HN 0.909 nan 8.150 nan 0.000 0.495 40 G N -0.974 107.817 108.800 -0.015 0.000 2.131 40 G HA2 0.104 4.064 3.960 0.000 0.000 0.223 40 G HA3 0.104 4.064 3.960 0.000 0.000 0.223 40 G C 0.998 175.880 174.900 -0.030 0.000 0.990 40 G CA 0.896 45.985 45.100 -0.019 0.000 0.671 40 G HN 1.982 nan 8.290 nan 0.000 0.521 41 A N -1.028 121.776 122.820 -0.027 0.000 2.084 41 A HA 0.278 4.598 4.320 0.000 0.000 0.221 41 A C 1.361 178.891 177.584 -0.090 0.000 1.161 41 A CA 1.775 53.789 52.037 -0.038 0.000 0.653 41 A CB 0.005 18.999 19.000 -0.010 0.000 0.802 41 A HN 1.414 nan 8.150 nan 0.000 0.457 42 L N 1.765 122.915 121.223 -0.120 0.000 2.277 42 L HA 0.412 4.752 4.340 0.000 0.000 0.284 42 L C -2.323 174.482 176.870 -0.108 0.000 1.028 42 L CA -2.421 52.295 54.840 -0.207 0.000 0.835 42 L CB 1.196 43.067 42.059 -0.314 0.000 1.215 42 L HN 0.008 nan 8.230 nan 0.000 0.425 43 P HA 0.053 nan 4.420 nan 0.000 0.271 43 P C 0.739 178.014 177.300 -0.042 0.000 1.216 43 P CA -0.473 62.596 63.100 -0.052 0.000 0.776 43 P CB 0.907 32.580 31.700 -0.045 0.000 0.881 44 M N 2.002 121.587 119.600 -0.025 0.000 2.144 44 M HA -0.159 4.321 4.480 0.000 0.000 0.260 44 M C 1.683 177.976 176.300 -0.012 0.000 1.067 44 M CA 1.835 57.127 55.300 -0.013 0.000 1.095 44 M CB -1.389 31.208 32.600 -0.005 0.000 1.365 44 M HN 0.523 nan 8.290 nan 0.000 0.406 45 D N -0.438 119.953 120.400 -0.015 0.000 2.178 45 D HA -0.179 4.461 4.640 0.000 0.000 0.201 45 D C 1.777 178.068 176.300 -0.014 0.000 0.980 45 D CA 1.086 55.079 54.000 -0.012 0.000 0.842 45 D CB -0.245 40.548 40.800 -0.012 0.000 0.948 45 D HN 0.278 nan 8.370 nan 0.000 0.472 46 I N 1.675 122.230 120.570 -0.025 0.000 2.400 46 I HA -0.051 4.119 4.170 0.000 0.000 0.248 46 I C 2.873 178.977 176.117 -0.021 0.000 1.109 46 I CA 0.664 61.947 61.300 -0.028 0.000 1.425 46 I CB -1.282 36.686 38.000 -0.053 0.000 1.094 46 I HN 0.013 nan 8.210 nan 0.000 0.425 47 A N 0.978 123.784 122.820 -0.024 0.000 1.933 47 A HA -0.248 4.072 4.320 0.000 0.000 0.218 47 A C 2.073 179.663 177.584 0.011 0.000 1.175 47 A CA 2.090 54.125 52.037 -0.003 0.000 0.628 47 A CB -0.897 18.104 19.000 0.002 0.000 0.814 47 A HN 0.453 nan 8.150 nan 0.000 0.444 48 N N -0.077 118.626 118.700 0.005 0.000 2.512 48 N HA -0.001 4.739 4.740 0.000 0.000 0.183 48 N C 1.506 177.020 175.510 0.006 0.000 1.073 48 N CA 1.308 54.362 53.050 0.007 0.000 0.911 48 N CB -0.321 38.169 38.487 0.004 0.000 0.964 48 N HN 0.319 nan 8.380 nan 0.000 0.447 49 G N -0.350 108.453 108.800 0.004 0.000 2.492 49 G HA2 -0.035 3.925 3.960 0.000 0.000 0.214 49 G HA3 -0.035 3.925 3.960 0.000 0.000 0.214 49 G C 1.433 176.337 174.900 0.007 0.000 1.147 49 G CA 0.191 45.293 45.100 0.004 0.000 0.809 49 G HN 0.234 nan 8.290 nan 0.000 0.533 50 M N 0.242 119.850 119.600 0.014 0.000 2.085 50 M HA 0.140 4.620 4.480 0.000 0.000 0.258 50 M C 0.971 177.279 176.300 0.012 0.000 1.089 50 M CA 0.848 56.159 55.300 0.019 0.000 1.123 50 M CB -0.388 32.234 32.600 0.037 0.000 1.284 50 M HN -0.033 nan 8.290 nan 0.000 0.421 51 I N 0.524 121.105 120.570 0.017 0.000 3.322 51 I HA 0.025 4.195 4.170 0.000 0.000 0.296 51 I C 1.262 177.383 176.117 0.007 0.000 1.101 51 I CA 0.322 61.629 61.300 0.011 0.000 1.166 51 I CB 0.268 38.280 38.000 0.021 0.000 1.475 51 I HN 0.207 nan 8.210 nan 0.000 0.665 52 E N 1.497 121.700 120.200 0.004 0.000 2.033 52 E HA 0.014 4.364 4.350 0.000 0.000 0.194 52 E C 0.498 177.102 176.600 0.007 0.000 0.960 52 E CA 0.874 57.276 56.400 0.003 0.000 0.842 52 E CB -0.110 29.589 29.700 -0.002 0.000 0.816 52 E HN 0.422 nan 8.360 nan 0.000 0.468 53 N N 1.105 119.810 118.700 0.008 0.000 2.843 53 N HA 0.083 4.823 4.740 0.000 0.000 0.284 53 N C -1.087 174.433 175.510 0.017 0.000 1.274 53 N CA 0.006 53.062 53.050 0.011 0.000 1.045 53 N CB -0.004 38.489 38.487 0.009 0.000 1.370 53 N HN -0.080 nan 8.380 nan 0.000 0.525 54 V N 1.706 121.631 119.914 0.019 0.000 2.617 54 V HA -0.024 4.096 4.120 0.000 0.000 0.304 54 V C 1.736 177.846 176.094 0.026 0.000 1.040 54 V CA 0.394 62.709 62.300 0.026 0.000 1.149 54 V CB 0.273 32.111 31.823 0.025 0.000 0.914 54 V HN 0.438 nan 8.190 nan 0.000 0.487 55 I N 0.968 121.558 120.570 0.034 0.000 4.655 55 I HA 0.705 4.875 4.170 0.000 0.000 0.333 55 I C 0.639 176.779 176.117 0.037 0.000 1.312 55 I CA 0.490 61.809 61.300 0.032 0.000 1.270 55 I CB 0.916 38.936 38.000 0.032 0.000 1.318 55 I HN 0.694 nan 8.210 nan 0.000 0.456 56 G N 1.375 110.205 108.800 0.049 0.000 2.450 56 G HA2 0.516 4.476 3.960 0.000 0.000 0.273 56 G HA3 0.516 4.476 3.960 0.000 0.000 0.273 56 G C -1.240 173.705 174.900 0.074 0.000 1.221 56 G CA 0.224 45.356 45.100 0.054 0.000 0.900 56 G HN 0.250 nan 8.290 nan 0.000 0.483 57 T N -2.311 112.297 114.554 0.089 0.000 2.933 57 T HA 0.656 5.006 4.350 0.000 0.000 0.305 57 T C -1.618 173.186 174.700 0.174 0.000 1.092 57 T CA -0.486 61.689 62.100 0.124 0.000 1.008 57 T CB 2.166 71.084 68.868 0.083 0.000 1.102 57 T HN 0.860 nan 8.240 nan 0.000 0.469 58 F N 1.422 121.406 119.950 0.057 0.000 2.436 58 F HA 0.582 5.109 4.527 0.000 0.000 0.340 58 F C 0.081 175.916 175.800 0.058 0.000 1.113 58 F CA -0.602 57.430 58.000 0.053 0.000 1.022 58 F CB 1.296 40.330 39.000 0.057 0.000 1.128 58 F HN 0.683 nan 8.300 nan 0.000 0.466 59 E N 5.960 126.019 120.200 -0.235 0.000 2.214 59 E HA 0.592 4.942 4.350 0.000 0.000 0.274 59 E C -1.232 175.322 176.600 -0.078 0.000 0.977 59 E CA -0.810 55.538 56.400 -0.087 0.000 0.827 59 E CB 2.501 32.133 29.700 -0.112 0.000 1.130 59 E HN 0.563 nan 8.360 nan 0.000 0.394 60 L N 2.534 123.793 121.223 0.060 0.000 2.409 60 L HA 0.461 4.801 4.340 0.000 0.000 0.262 60 L C -2.356 174.555 176.870 0.069 0.000 0.992 60 L CA -2.243 52.641 54.840 0.074 0.000 0.817 60 L CB 2.028 44.156 42.059 0.116 0.000 1.350 60 L HN 0.349 nan 8.230 nan 0.000 0.411 61 P HA -0.001 nan 4.420 nan 0.000 0.267 61 P C -1.659 175.714 177.300 0.122 0.000 1.200 61 P CA 0.244 63.386 63.100 0.070 0.000 0.772 61 P CB 0.151 31.870 31.700 0.033 0.000 0.855 62 Y N 2.041 122.346 120.300 0.008 0.000 2.447 62 Y HA 0.581 5.131 4.550 0.000 0.000 0.325 62 Y C -0.395 175.523 175.900 0.030 0.000 0.976 62 Y CA -0.704 57.403 58.100 0.012 0.000 1.280 62 Y CB 0.541 39.010 38.460 0.015 0.000 1.104 62 Y HN 0.507 nan 8.280 nan 0.000 0.486 63 A N 4.094 126.905 122.820 -0.015 0.000 2.263 63 A HA 0.878 5.198 4.320 0.000 0.000 0.318 63 A C -1.468 176.112 177.584 -0.008 0.000 1.111 63 A CA -0.739 51.332 52.037 0.057 0.000 0.901 63 A CB 1.379 20.407 19.000 0.047 0.000 1.280 63 A HN 0.491 nan 8.150 nan 0.000 0.503 64 V N 0.370 120.355 119.914 0.117 0.000 2.524 64 V HA 0.585 4.705 4.120 0.000 0.000 0.297 64 V C 0.387 176.536 176.094 0.092 0.000 1.035 64 V CA -0.263 62.088 62.300 0.085 0.000 0.867 64 V CB 1.049 32.967 31.823 0.158 0.000 1.004 64 V HN 1.282 nan 8.190 nan 0.000 0.426 65 A N 4.234 127.085 122.820 0.052 0.000 2.271 65 A HA 0.942 5.262 4.320 0.000 0.000 0.288 65 A C 0.433 178.102 177.584 0.142 0.000 1.094 65 A CA 0.161 52.278 52.037 0.134 0.000 0.828 65 A CB 1.016 20.140 19.000 0.207 0.000 1.091 65 A HN 1.163 nan 8.150 nan 0.000 0.493 66 S N -0.455 115.348 115.700 0.171 0.000 2.811 66 S HA 0.602 5.072 4.470 0.000 0.000 0.311 66 S C 0.267 174.916 174.600 0.081 0.000 1.152 66 S CA -0.252 58.005 58.200 0.095 0.000 0.864 66 S CB 1.189 64.368 63.200 -0.034 0.000 1.226 66 S HN 0.866 nan 8.310 nan 0.000 0.541 67 N N -1.210 117.507 118.700 0.029 0.000 2.929 67 N HA -0.163 4.577 4.740 0.000 0.000 0.234 67 N C -0.790 174.711 175.510 -0.014 0.000 0.908 67 N CA 1.104 54.143 53.050 -0.019 0.000 0.993 67 N CB -1.509 36.934 38.487 -0.074 0.000 1.075 67 N HN 0.634 nan 8.380 nan 0.000 0.603 68 F N 1.943 121.919 119.950 0.043 0.000 2.578 68 F HA 0.057 4.584 4.527 0.000 0.000 0.376 68 F C 1.297 177.140 175.800 0.071 0.000 1.085 68 F CA 0.873 58.905 58.000 0.055 0.000 1.260 68 F CB 0.457 39.416 39.000 -0.068 0.000 1.095 68 F HN -0.106 nan 8.300 nan 0.000 0.573 69 Q N 4.660 124.660 119.800 0.332 0.000 2.337 69 Q HA 0.361 4.701 4.340 0.000 0.000 0.264 69 Q C -1.210 174.957 176.000 0.277 0.000 1.007 69 Q CA -0.640 55.301 55.803 0.231 0.000 0.727 69 Q CB 2.122 30.949 28.738 0.148 0.000 1.256 69 Q HN 0.363 nan 8.270 nan 0.000 0.467 70 I N 3.355 124.029 120.570 0.174 0.000 2.307 70 I HA 0.181 4.351 4.170 0.000 0.000 0.289 70 I C 0.061 176.234 176.117 0.093 0.000 1.021 70 I CA -0.435 60.949 61.300 0.140 0.000 1.224 70 I CB 0.589 38.625 38.000 0.059 0.000 1.376 70 I HN 0.658 nan 8.210 nan 0.000 0.470 71 N N 5.391 124.148 118.700 0.096 0.000 2.738 71 N HA -0.195 4.545 4.740 0.000 0.000 0.249 71 N C 1.185 176.722 175.510 0.045 0.000 1.047 71 N CA 1.162 54.246 53.050 0.057 0.000 0.707 71 N CB -1.049 37.460 38.487 0.037 0.000 0.937 71 N HN 1.100 nan 8.380 nan 0.000 0.545 72 G N -0.958 107.873 108.800 0.051 0.000 2.212 72 G HA2 -0.380 3.580 3.960 0.000 0.000 0.266 72 G HA3 -0.380 3.580 3.960 0.000 0.000 0.266 72 G C 0.065 174.987 174.900 0.037 0.000 0.978 72 G CA 0.743 45.865 45.100 0.037 0.000 0.632 72 G HN 0.588 nan 8.290 nan 0.000 0.537 73 R N 1.048 121.574 120.500 0.043 0.000 2.294 73 R HA 0.465 4.805 4.340 0.000 0.000 0.319 73 R C -1.016 175.313 176.300 0.048 0.000 0.984 73 R CA -0.887 55.234 56.100 0.035 0.000 0.861 73 R CB 0.984 31.299 30.300 0.024 0.000 1.104 73 R HN 0.134 nan 8.270 nan 0.000 0.451 74 D N 1.244 121.668 120.400 0.040 0.000 2.362 74 D HA 0.275 4.915 4.640 0.000 0.000 0.242 74 D C -0.481 175.842 176.300 0.039 0.000 1.132 74 D CA 0.056 54.086 54.000 0.050 0.000 0.907 74 D CB 1.296 42.115 40.800 0.031 0.000 1.195 74 D HN 0.109 nan 8.370 nan 0.000 0.429 75 V N 1.807 121.753 119.914 0.053 0.000 2.950 75 V HA 0.260 4.380 4.120 0.000 0.000 0.295 75 V C -1.493 174.611 176.094 0.016 0.000 1.297 75 V CA -0.762 61.549 62.300 0.018 0.000 0.962 75 V CB 1.556 33.376 31.823 -0.006 0.000 1.081 75 V HN 0.416 nan 8.190 nan 0.000 0.432 76 L N 6.010 127.221 121.223 -0.019 0.000 2.326 76 L HA 0.586 4.926 4.340 0.000 0.000 0.278 76 L C -0.486 176.339 176.870 -0.075 0.000 1.092 76 L CA -0.643 54.178 54.840 -0.031 0.000 0.810 76 L CB 1.594 43.630 42.059 -0.040 0.000 1.153 76 L HN 0.455 nan 8.230 nan 0.000 0.439 77 V N 4.551 124.401 119.914 -0.106 0.000 2.313 77 V HA 0.297 4.417 4.120 0.000 0.000 0.278 77 V C -2.057 173.934 176.094 -0.172 0.000 1.017 77 V CA -1.606 60.570 62.300 -0.206 0.000 0.823 77 V CB 1.202 32.766 31.823 -0.432 0.000 1.010 77 V HN 0.606 nan 8.190 nan 0.000 0.443 78 P HA 0.436 nan 4.420 nan 0.000 0.281 78 P C -1.066 176.008 177.300 -0.375 0.000 1.252 78 P CA -0.158 62.755 63.100 -0.311 0.000 0.778 78 P CB 1.511 33.034 31.700 -0.295 0.000 0.895 79 L N 2.950 123.927 121.223 -0.411 0.000 2.401 79 L HA 0.563 4.903 4.340 0.000 0.000 0.266 79 L C -0.383 176.297 176.870 -0.316 0.000 0.991 79 L CA -1.217 53.443 54.840 -0.300 0.000 0.818 79 L CB 2.657 44.612 42.059 -0.173 0.000 1.321 79 L HN 0.048 nan 8.230 nan 0.000 0.413 80 V N 3.394 123.172 119.914 -0.226 0.000 2.357 80 V HA 0.602 4.722 4.120 0.000 0.000 0.281 80 V C -0.470 175.553 176.094 -0.117 0.000 1.015 80 V CA -0.399 61.814 62.300 -0.146 0.000 0.827 80 V CB 2.001 33.760 31.823 -0.107 0.000 1.018 80 V HN 0.505 nan 8.190 nan 0.000 0.432 81 V N 4.188 124.055 119.914 -0.079 0.000 3.226 81 V HA 0.621 4.741 4.120 0.000 0.000 0.304 81 V C 0.118 176.191 176.094 -0.034 0.000 1.336 81 V CA -0.227 62.029 62.300 -0.074 0.000 1.066 81 V CB 2.771 34.549 31.823 -0.076 0.000 1.087 81 V HN 0.817 nan 8.190 nan 0.000 0.451 82 E N 1.118 121.303 120.200 -0.025 0.000 2.465 82 E HA 0.136 4.486 4.350 0.000 0.000 0.209 82 E C 0.461 177.048 176.600 -0.022 0.000 0.951 82 E CA 0.036 56.431 56.400 -0.009 0.000 0.997 82 E CB 0.254 29.966 29.700 0.020 0.000 1.025 82 E HN 0.733 nan 8.360 nan 0.000 0.500 83 E N 3.177 123.376 120.200 -0.002 0.000 2.338 83 E HA 0.200 4.550 4.350 0.000 0.000 0.272 83 E C -1.983 174.621 176.600 0.008 0.000 1.029 83 E CA -2.021 54.399 56.400 0.033 0.000 0.872 83 E CB 0.888 30.644 29.700 0.095 0.000 1.015 83 E HN 0.012 nan 8.360 nan 0.000 0.417 84 P HA 0.126 nan 4.420 nan 0.000 0.278 84 P C -0.357 176.920 177.300 -0.037 0.000 1.266 84 P CA -0.264 62.776 63.100 -0.100 0.000 0.807 84 P CB 1.202 32.761 31.700 -0.235 0.000 1.094 85 S N -1.682 114.001 115.700 -0.027 0.000 1.961 85 S HA -0.197 4.273 4.470 0.000 0.000 0.239 85 S C 1.463 176.114 174.600 0.085 0.000 1.051 85 S CA 1.099 59.327 58.200 0.047 0.000 1.476 85 S CB -2.142 61.143 63.200 0.142 0.000 1.861 85 S HN 0.556 nan 8.310 nan 0.000 0.559 86 I N 1.413 122.032 120.570 0.083 0.000 2.118 86 I HA -0.247 3.923 4.170 0.000 0.000 0.241 86 I C 2.240 178.403 176.117 0.077 0.000 1.070 86 I CA 2.211 63.556 61.300 0.075 0.000 1.327 86 I CB -0.531 37.497 38.000 0.047 0.000 1.034 86 I HN 0.326 nan 8.210 nan 0.000 0.405 87 V N 0.901 120.853 119.914 0.065 0.000 2.358 87 V HA -0.234 3.886 4.120 0.000 0.000 0.246 87 V C 2.705 178.864 176.094 0.107 0.000 1.047 87 V CA 1.775 64.126 62.300 0.085 0.000 1.035 87 V CB -1.064 30.801 31.823 0.070 0.000 0.658 87 V HN 0.491 nan 8.190 nan 0.000 0.452 88 A N 0.280 123.150 122.820 0.085 0.000 1.883 88 A HA -0.170 4.150 4.320 0.000 0.000 0.217 88 A C 2.431 180.088 177.584 0.120 0.000 1.186 88 A CA 2.408 54.494 52.037 0.082 0.000 0.624 88 A CB -0.858 18.166 19.000 0.039 0.000 0.822 88 A HN 0.566 nan 8.150 nan 0.000 0.444 89 A N -0.225 122.670 122.820 0.125 0.000 1.841 89 A HA 0.183 4.503 4.320 0.000 0.000 0.214 89 A C 2.573 180.254 177.584 0.162 0.000 1.195 89 A CA 2.276 54.407 52.037 0.157 0.000 0.611 89 A CB -1.293 17.781 19.000 0.123 0.000 0.835 89 A HN 1.202 nan 8.150 nan 0.000 0.443 90 A N -0.456 122.459 122.820 0.159 0.000 1.927 90 A HA -0.158 4.162 4.320 0.000 0.000 0.220 90 A C 2.435 180.108 177.584 0.147 0.000 1.185 90 A CA 2.467 54.633 52.037 0.215 0.000 0.639 90 A CB -0.891 18.274 19.000 0.275 0.000 0.820 90 A HN 0.488 nan 8.150 nan 0.000 0.451 91 S N -2.054 113.735 115.700 0.148 0.000 2.377 91 S HA -0.068 4.402 4.470 0.000 0.000 0.223 91 S C 1.846 176.480 174.600 0.056 0.000 1.030 91 S CA 1.020 59.261 58.200 0.068 0.000 0.970 91 S CB -0.509 62.766 63.200 0.126 0.000 0.830 91 S HN 0.672 nan 8.310 nan 0.000 0.473 92 Y N 1.908 122.197 120.300 -0.019 0.000 2.181 92 Y HA -0.079 4.471 4.550 0.000 0.000 0.288 92 Y C 2.077 177.949 175.900 -0.046 0.000 1.146 92 Y CA 1.178 59.263 58.100 -0.025 0.000 1.164 92 Y CB -0.488 37.968 38.460 -0.006 0.000 0.982 92 Y HN 0.124 nan 8.280 nan 0.000 0.515 93 M N -0.069 119.450 119.600 -0.135 0.000 2.254 93 M HA -0.001 4.479 4.480 0.000 0.000 0.265 93 M C 2.345 178.540 176.300 -0.175 0.000 1.066 93 M CA 1.556 56.731 55.300 -0.209 0.000 1.123 93 M CB -1.033 31.544 32.600 -0.038 0.000 1.388 93 M HN 0.315 nan 8.290 nan 0.000 0.425 94 A N -0.870 121.819 122.820 -0.218 0.000 2.015 94 A HA -0.176 4.144 4.320 0.000 0.000 0.219 94 A C 2.220 179.684 177.584 -0.201 0.000 1.163 94 A CA 1.659 53.525 52.037 -0.285 0.000 0.646 94 A CB -0.622 17.755 19.000 -1.039 0.000 0.806 94 A HN 0.498 nan 8.150 nan 0.000 0.448 95 K N -0.096 120.203 120.400 -0.170 0.000 2.057 95 K HA -0.034 4.286 4.320 0.000 0.000 0.206 95 K C 1.790 178.305 176.600 -0.142 0.000 1.050 95 K CA 1.193 57.417 56.287 -0.104 0.000 0.935 95 K CB -0.271 32.223 32.500 -0.010 0.000 0.715 95 K HN 0.489 nan 8.250 nan 0.000 0.439 96 L N 0.411 121.498 121.223 -0.227 0.000 2.056 96 L HA -0.103 4.237 4.340 0.000 0.000 0.207 96 L C 2.642 179.376 176.870 -0.226 0.000 1.078 96 L CA 1.148 55.846 54.840 -0.236 0.000 0.749 96 L CB -0.643 41.223 42.059 -0.323 0.000 0.901 96 L HN 0.253 nan 8.230 nan 0.000 0.433 97 A N -0.011 122.636 122.820 -0.287 0.000 2.024 97 A HA -0.218 4.102 4.320 0.000 0.000 0.220 97 A C 2.377 179.802 177.584 -0.265 0.000 1.164 97 A CA 1.364 53.170 52.037 -0.385 0.000 0.643 97 A CB -0.526 18.004 19.000 -0.784 0.000 0.806 97 A HN 0.310 nan 8.150 nan 0.000 0.451 98 R N -0.649 119.746 120.500 -0.176 0.000 2.096 98 R HA -0.184 4.156 4.340 0.000 0.000 0.240 98 R C 2.468 178.711 176.300 -0.096 0.000 1.139 98 R CA 1.384 57.422 56.100 -0.103 0.000 0.952 98 R CB -0.506 29.755 30.300 -0.066 0.000 0.854 98 R HN 0.526 nan 8.270 nan 0.000 0.436 99 A N 1.101 123.858 122.820 -0.105 0.000 1.986 99 A HA -0.172 4.148 4.320 0.000 0.000 0.220 99 A C 1.446 178.969 177.584 -0.100 0.000 1.171 99 A CA 1.613 53.595 52.037 -0.092 0.000 0.640 99 A CB -0.310 18.631 19.000 -0.099 0.000 0.811 99 A HN 0.368 nan 8.150 nan 0.000 0.451 100 N N -1.564 117.057 118.700 -0.131 0.000 2.214 100 N HA 0.237 4.977 4.740 0.000 0.000 0.214 100 N C 0.853 176.300 175.510 -0.105 0.000 1.132 100 N CA 0.828 53.802 53.050 -0.127 0.000 0.856 100 N CB 0.894 39.281 38.487 -0.165 0.000 1.020 100 N HN 0.625 nan 8.380 nan 0.000 0.509 101 G N 0.234 108.979 108.800 -0.092 0.000 2.168 101 G HA2 -0.108 3.852 3.960 0.000 0.000 0.197 101 G HA3 -0.108 3.852 3.960 0.000 0.000 0.197 101 G C 0.572 175.435 174.900 -0.061 0.000 0.997 101 G CA 0.082 45.145 45.100 -0.062 0.000 0.658 101 G HN 0.670 nan 8.290 nan 0.000 0.513 102 G N -0.669 108.059 108.800 -0.120 0.000 2.525 102 G HA2 0.098 4.058 3.960 0.000 0.000 0.248 102 G HA3 0.098 4.058 3.960 0.000 0.000 0.248 102 G C -0.174 174.590 174.900 -0.227 0.000 1.238 102 G CA 0.086 45.118 45.100 -0.113 0.000 0.926 102 G HN 1.247 nan 8.290 nan 0.000 0.574 103 F N 1.397 121.354 119.950 0.012 0.000 2.427 103 F HA 0.595 5.122 4.527 0.000 0.000 0.346 103 F C 0.910 176.718 175.800 0.013 0.000 1.120 103 F CA -0.260 57.753 58.000 0.022 0.000 1.033 103 F CB 2.272 41.315 39.000 0.072 0.000 1.126 103 F HN 0.368 nan 8.300 nan 0.000 0.462 104 T N 2.157 116.796 114.554 0.141 0.000 2.743 104 T HA 0.514 4.864 4.350 0.000 0.000 0.292 104 T C 0.077 174.823 174.700 0.077 0.000 0.972 104 T CA -0.626 61.521 62.100 0.079 0.000 0.967 104 T CB 0.690 69.573 68.868 0.026 0.000 0.926 104 T HN 0.705 nan 8.240 nan 0.000 0.459 105 T N -0.042 114.548 114.554 0.061 0.000 2.916 105 T HA 0.892 5.242 4.350 0.000 0.000 0.292 105 T C -0.301 174.406 174.700 0.011 0.000 1.064 105 T CA -0.851 61.270 62.100 0.035 0.000 1.011 105 T CB 1.928 70.813 68.868 0.029 0.000 1.152 105 T HN 0.632 nan 8.240 nan 0.000 0.510 106 S N -0.298 115.401 115.700 -0.003 0.000 2.672 106 S HA 0.899 5.369 4.470 0.000 0.000 0.271 106 S C -1.013 173.574 174.600 -0.022 0.000 1.171 106 S CA -0.377 57.816 58.200 -0.011 0.000 0.817 106 S CB 1.244 64.438 63.200 -0.009 0.000 1.150 106 S HN 2.017 nan 8.310 nan 0.000 0.478 107 S N -0.193 115.493 115.700 -0.024 0.000 2.595 107 S HA 0.770 5.240 4.470 0.000 0.000 0.270 107 S C -0.659 173.923 174.600 -0.030 0.000 1.145 107 S CA -0.327 57.853 58.200 -0.033 0.000 0.825 107 S CB 0.758 63.935 63.200 -0.039 0.000 1.107 107 S HN 1.918 nan 8.310 nan 0.000 0.461 108 S N 0.891 116.569 115.700 -0.036 0.000 2.722 108 S HA 0.848 5.318 4.470 0.000 0.000 0.292 108 S C 0.477 175.057 174.600 -0.035 0.000 1.135 108 S CA -0.484 57.697 58.200 -0.032 0.000 1.003 108 S CB 0.847 64.026 63.200 -0.034 0.000 1.067 108 S HN 1.911 nan 8.310 nan 0.000 0.546 109 A N 2.386 125.188 122.820 -0.030 0.000 2.546 109 A HA 0.352 4.672 4.320 0.000 0.000 0.243 109 A C -1.927 175.632 177.584 -0.041 0.000 1.063 109 A CA -1.160 50.859 52.037 -0.030 0.000 0.757 109 A CB -0.767 18.218 19.000 -0.024 0.000 0.991 109 A HN 0.717 nan 8.150 nan 0.000 0.503 110 P HA 0.102 nan 4.420 nan 0.000 0.252 110 P C -0.973 176.296 177.300 -0.053 0.000 1.635 110 P CA 0.647 63.718 63.100 -0.047 0.000 1.206 110 P CB -0.369 31.309 31.700 -0.037 0.000 1.911 111 L N 3.910 125.089 121.223 -0.074 0.000 2.272 111 L HA 0.466 4.806 4.340 0.000 0.000 0.289 111 L C 0.745 177.525 176.870 -0.149 0.000 1.032 111 L CA -0.606 54.179 54.840 -0.092 0.000 0.810 111 L CB 1.211 43.214 42.059 -0.093 0.000 1.205 111 L HN 0.121 nan 8.230 nan 0.000 0.422 112 M N 2.698 122.232 119.600 -0.110 0.000 2.705 112 M HA 0.477 4.957 4.480 0.000 0.000 0.311 112 M C -0.346 175.926 176.300 -0.047 0.000 1.214 112 M CA -0.479 54.760 55.300 -0.102 0.000 0.920 112 M CB 1.835 34.421 32.600 -0.023 0.000 1.687 112 M HN 0.610 nan 8.290 nan 0.000 0.481 113 H N -0.879 118.196 119.070 0.009 0.000 2.771 113 H HA 0.849 5.405 4.556 0.000 0.000 0.361 113 H C -1.311 173.973 175.328 -0.075 0.000 1.108 113 H CA -1.304 54.742 56.048 -0.004 0.000 1.201 113 H CB 1.368 31.172 29.762 0.070 0.000 1.681 113 H HN 0.742 nan 8.280 nan 0.000 0.534 114 A N 2.775 125.624 122.820 0.048 0.000 2.312 114 A HA 0.308 4.628 4.320 0.000 0.000 0.328 114 A C -0.363 177.115 177.584 -0.178 0.000 1.158 114 A CA -0.848 51.159 52.037 -0.051 0.000 0.821 114 A CB 1.150 20.143 19.000 -0.012 0.000 1.170 114 A HN 0.781 nan 8.150 nan 0.000 0.490 115 Q N 0.967 120.648 119.800 -0.199 0.000 2.322 115 Q HA 0.494 4.834 4.340 0.000 0.000 0.265 115 Q C -1.319 174.644 176.000 -0.062 0.000 0.985 115 Q CA -0.612 55.066 55.803 -0.208 0.000 0.849 115 Q CB 2.260 30.866 28.738 -0.219 0.000 1.274 115 Q HN 0.443 nan 8.270 nan 0.000 0.449 116 V N 3.257 123.170 119.914 -0.003 0.000 2.266 116 V HA 0.144 4.264 4.120 0.000 0.000 0.271 116 V C -0.051 176.070 176.094 0.046 0.000 1.032 116 V CA -0.596 61.715 62.300 0.018 0.000 0.806 116 V CB 1.049 32.886 31.823 0.022 0.000 1.052 116 V HN 0.705 nan 8.190 nan 0.000 0.449 117 Q N 4.543 124.365 119.800 0.038 0.000 2.313 117 Q HA 0.497 4.837 4.340 0.000 0.000 0.266 117 Q C -1.061 174.966 176.000 0.044 0.000 0.989 117 Q CA -0.002 55.834 55.803 0.054 0.000 0.890 117 Q CB 0.905 29.661 28.738 0.029 0.000 1.200 117 Q HN 0.724 nan 8.270 nan 0.000 0.396 118 I N 5.191 125.796 120.570 0.058 0.000 2.447 118 I HA 0.315 4.485 4.170 0.000 0.000 0.287 118 I C -0.196 175.948 176.117 0.045 0.000 1.023 118 I CA -0.994 60.332 61.300 0.043 0.000 1.083 118 I CB 1.597 39.622 38.000 0.042 0.000 1.245 118 I HN 0.437 nan 8.210 nan 0.000 0.434 119 V N 1.850 121.783 119.914 0.031 0.000 3.096 119 V HA 0.969 5.089 4.120 0.000 0.000 0.319 119 V C 0.848 176.956 176.094 0.023 0.000 1.103 119 V CA 0.212 62.529 62.300 0.029 0.000 1.016 119 V CB 1.320 33.155 31.823 0.020 0.000 1.090 119 V HN 1.050 nan 8.190 nan 0.000 0.449 120 G N 1.141 109.955 108.800 0.022 0.000 2.176 120 G HA2 -0.198 3.762 3.960 0.000 0.000 0.253 120 G HA3 -0.198 3.762 3.960 0.000 0.000 0.253 120 G C -0.075 174.835 174.900 0.018 0.000 0.979 120 G CA 0.211 45.321 45.100 0.017 0.000 0.641 120 G HN 1.036 nan 8.290 nan 0.000 0.530 121 I N 1.003 121.586 120.570 0.023 0.000 2.371 121 I HA 0.216 4.386 4.170 0.000 0.000 0.290 121 I C 1.431 177.561 176.117 0.020 0.000 1.028 121 I CA -0.587 60.725 61.300 0.021 0.000 1.345 121 I CB 1.329 39.343 38.000 0.023 0.000 1.407 121 I HN -0.076 nan 8.210 nan 0.000 0.501 122 Q N 4.085 123.894 119.800 0.015 0.000 2.432 122 Q HA -0.027 4.313 4.340 0.000 0.000 0.205 122 Q C -0.126 175.882 176.000 0.013 0.000 0.945 122 Q CA 0.774 56.586 55.803 0.014 0.000 0.924 122 Q CB 0.123 28.867 28.738 0.011 0.000 1.016 122 Q HN 0.735 nan 8.270 nan 0.000 0.503 123 D N -1.906 118.501 120.400 0.013 0.000 2.656 123 D HA 0.175 4.815 4.640 0.000 0.000 0.303 123 D C -2.404 173.902 176.300 0.010 0.000 1.199 123 D CA -1.531 52.474 54.000 0.010 0.000 0.797 123 D CB 1.113 41.916 40.800 0.006 0.000 1.170 123 D HN -0.135 nan 8.370 nan 0.000 0.509 124 P HA -0.130 nan 4.420 nan 0.000 0.214 124 P C 1.928 179.230 177.300 0.003 0.000 1.163 124 P CA 0.810 63.920 63.100 0.017 0.000 0.889 124 P CB 0.392 32.108 31.700 0.027 0.000 0.790 125 L N -1.021 120.201 121.223 -0.002 0.000 2.042 125 L HA -0.208 4.132 4.340 0.000 0.000 0.210 125 L C 2.397 179.261 176.870 -0.010 0.000 1.076 125 L CA 1.823 56.657 54.840 -0.011 0.000 0.749 125 L CB -1.073 40.979 42.059 -0.011 0.000 0.893 125 L HN 0.055 nan 8.230 nan 0.000 0.432 126 N N 0.326 119.023 118.700 -0.005 0.000 2.250 126 N HA -0.105 4.635 4.740 0.000 0.000 0.181 126 N C 1.779 177.286 175.510 -0.005 0.000 1.017 126 N CA 1.306 54.353 53.050 -0.005 0.000 0.866 126 N CB -0.023 38.462 38.487 -0.002 0.000 0.985 126 N HN 0.229 nan 8.380 nan 0.000 0.429 127 A N 0.747 123.566 122.820 -0.002 0.000 2.019 127 A HA -0.120 4.200 4.320 0.000 0.000 0.219 127 A C 2.215 179.795 177.584 -0.006 0.000 1.164 127 A CA 1.237 53.274 52.037 -0.001 0.000 0.644 127 A CB -0.693 18.310 19.000 0.006 0.000 0.805 127 A HN 0.433 nan 8.150 nan 0.000 0.449 128 R N -0.153 120.340 120.500 -0.011 0.000 2.096 128 R HA -0.059 4.281 4.340 0.000 0.000 0.235 128 R C 1.738 178.023 176.300 -0.025 0.000 1.127 128 R CA 1.462 57.549 56.100 -0.023 0.000 0.968 128 R CB -0.334 29.946 30.300 -0.033 0.000 0.861 128 R HN 0.517 nan 8.270 nan 0.000 0.440 129 L N 0.150 121.361 121.223 -0.019 0.000 2.156 129 L HA -0.078 4.262 4.340 0.000 0.000 0.208 129 L C 2.363 179.225 176.870 -0.014 0.000 1.095 129 L CA 1.062 55.891 54.840 -0.018 0.000 0.770 129 L CB -0.387 41.663 42.059 -0.015 0.000 0.914 129 L HN 0.238 nan 8.230 nan 0.000 0.439 130 S N 0.376 116.070 115.700 -0.010 0.000 2.383 130 S HA -0.122 4.348 4.470 0.000 0.000 0.229 130 S C 1.976 176.571 174.600 -0.008 0.000 1.030 130 S CA 1.165 59.361 58.200 -0.007 0.000 1.002 130 S CB -0.186 63.012 63.200 -0.004 0.000 0.829 130 S HN 0.328 nan 8.310 nan 0.000 0.467 131 L N 0.666 121.883 121.223 -0.010 0.000 2.179 131 L HA 0.038 4.378 4.340 0.000 0.000 0.208 131 L C 2.040 178.901 176.870 -0.015 0.000 1.096 131 L CA 0.730 55.564 54.840 -0.010 0.000 0.779 131 L CB -0.446 41.606 42.059 -0.011 0.000 0.922 131 L HN 0.286 nan 8.230 nan 0.000 0.443 132 L N -0.012 121.199 121.223 -0.020 0.000 2.156 132 L HA -0.123 4.217 4.340 0.000 0.000 0.208 132 L C 2.844 179.705 176.870 -0.015 0.000 1.095 132 L CA 0.953 55.779 54.840 -0.022 0.000 0.770 132 L CB -0.414 41.628 42.059 -0.028 0.000 0.914 132 L HN 0.366 nan 8.230 nan 0.000 0.439 133 R N 0.537 121.030 120.500 -0.012 0.000 2.119 133 R HA -0.056 4.284 4.340 0.000 0.000 0.222 133 R C 1.323 177.619 176.300 -0.007 0.000 1.088 133 R CA 0.685 56.779 56.100 -0.009 0.000 0.984 133 R CB -0.254 30.041 30.300 -0.008 0.000 0.884 133 R HN 0.227 nan 8.270 nan 0.000 0.447 134 R N 1.109 121.605 120.500 -0.006 0.000 2.893 134 R HA 0.164 4.504 4.340 0.000 0.000 0.317 134 R C 1.002 177.300 176.300 -0.004 0.000 1.239 134 R CA -0.171 55.927 56.100 -0.004 0.000 1.128 134 R CB 0.421 30.720 30.300 -0.003 0.000 1.377 134 R HN 0.220 nan 8.270 nan 0.000 0.583 135 K N 1.202 121.599 120.400 -0.005 0.000 2.025 135 K HA -0.144 4.176 4.320 0.000 0.000 0.207 135 K C 0.935 177.535 176.600 -0.001 0.000 1.049 135 K CA 1.581 57.866 56.287 -0.004 0.000 0.933 135 K CB 0.221 32.717 32.500 -0.007 0.000 0.714 135 K HN 0.138 nan 8.250 nan 0.000 0.438 136 D N 0.490 120.889 120.400 -0.001 0.000 2.178 136 D HA -0.181 4.459 4.640 0.000 0.000 0.201 136 D C 1.735 178.035 176.300 0.001 0.000 0.980 136 D CA 0.988 54.988 54.000 -0.000 0.000 0.842 136 D CB 0.063 40.863 40.800 -0.001 0.000 0.948 136 D HN 0.461 nan 8.370 nan 0.000 0.472 137 E N 0.571 120.771 120.200 0.000 0.000 2.072 137 E HA -0.129 4.221 4.350 0.000 0.000 0.191 137 E C 2.268 178.869 176.600 0.002 0.000 0.985 137 E CA 0.539 56.940 56.400 0.001 0.000 0.801 137 E CB 0.071 29.771 29.700 0.000 0.000 0.750 137 E HN 0.251 nan 8.360 nan 0.000 0.452 138 I N 0.701 121.272 120.570 0.002 0.000 2.353 138 I HA -0.210 3.960 4.170 0.000 0.000 0.248 138 I C 2.281 178.401 176.117 0.005 0.000 1.119 138 I CA 0.518 61.820 61.300 0.004 0.000 1.417 138 I CB -0.138 37.865 38.000 0.005 0.000 1.078 138 I HN 0.167 nan 8.210 nan 0.000 0.421 139 I N 0.945 121.518 120.570 0.005 0.000 2.113 139 I HA -0.292 3.878 4.170 0.000 0.000 0.238 139 I C 2.471 178.590 176.117 0.005 0.000 1.070 139 I CA 1.696 63.000 61.300 0.006 0.000 1.332 139 I CB -0.514 37.489 38.000 0.006 0.000 1.044 139 I HN 0.238 nan 8.210 nan 0.000 0.402 140 E N 0.553 120.755 120.200 0.003 0.000 2.130 140 E HA -0.281 4.069 4.350 0.000 0.000 0.196 140 E C 2.106 178.707 176.600 0.002 0.000 0.998 140 E CA 1.218 57.620 56.400 0.002 0.000 0.806 140 E CB -0.238 29.463 29.700 0.001 0.000 0.738 140 E HN 0.310 nan 8.360 nan 0.000 0.459 141 L N 0.745 121.969 121.223 0.003 0.000 2.131 141 L HA -0.110 4.230 4.340 0.000 0.000 0.210 141 L C 2.149 179.021 176.870 0.003 0.000 1.092 141 L CA 1.797 56.638 54.840 0.003 0.000 0.759 141 L CB -0.428 41.633 42.059 0.003 0.000 0.903 141 L HN 0.028 nan 8.230 nan 0.000 0.435 142 A N -0.590 122.232 122.820 0.004 0.000 1.897 142 A HA -0.154 4.166 4.320 0.000 0.000 0.215 142 A C 2.055 179.641 177.584 0.004 0.000 1.181 142 A CA 1.570 53.610 52.037 0.005 0.000 0.620 142 A CB -0.635 18.370 19.000 0.008 0.000 0.821 142 A HN 0.566 nan 8.150 nan 0.000 0.443 143 N N -0.240 118.462 118.700 0.003 0.000 2.142 143 N HA -0.145 4.595 4.740 0.000 0.000 0.186 143 N C 1.771 177.282 175.510 0.001 0.000 1.023 143 N CA 1.297 54.348 53.050 0.002 0.000 0.852 143 N CB -0.519 37.969 38.487 0.002 0.000 0.998 143 N HN 0.573 nan 8.380 nan 0.000 0.424 144 R N 1.256 121.757 120.500 0.001 0.000 2.170 144 R HA -0.161 4.179 4.340 0.000 0.000 0.242 144 R C 1.903 178.203 176.300 0.000 0.000 1.145 144 R CA 1.406 57.507 56.100 0.001 0.000 0.984 144 R CB 0.059 30.359 30.300 0.001 0.000 0.869 144 R HN 0.069 nan 8.270 nan 0.000 0.455 145 K N 0.462 120.862 120.400 0.000 0.000 2.001 145 K HA -0.107 4.213 4.320 0.000 0.000 0.208 145 K C 0.201 176.801 176.600 -0.000 0.000 1.048 145 K CA 1.613 57.900 56.287 0.000 0.000 0.932 145 K CB 0.093 32.593 32.500 0.000 0.000 0.715 145 K HN -0.030 nan 8.250 nan 0.000 0.437 146 D N 0.639 121.039 120.400 -0.000 0.000 2.485 146 D HA 0.070 4.710 4.640 0.000 0.000 0.229 146 D C 0.199 176.498 176.300 -0.001 0.000 1.101 146 D CA -0.065 53.934 54.000 -0.001 0.000 0.906 146 D CB 0.975 41.774 40.800 -0.001 0.000 1.019 146 D HN 0.173 nan 8.370 nan 0.000 0.516 147 Q N 1.873 121.672 119.800 -0.001 0.000 2.123 147 Q HA -0.106 4.234 4.340 0.000 0.000 0.199 147 Q C 1.800 177.799 176.000 -0.002 0.000 0.966 147 Q CA 0.604 56.406 55.803 -0.001 0.000 0.845 147 Q CB 0.164 28.901 28.738 -0.001 0.000 0.907 147 Q HN 0.465 nan 8.270 nan 0.000 0.439 148 L N 0.743 121.965 121.223 -0.002 0.000 2.131 148 L HA -0.161 4.179 4.340 0.000 0.000 0.210 148 L C 2.119 178.987 176.870 -0.003 0.000 1.092 148 L CA 1.158 55.997 54.840 -0.002 0.000 0.759 148 L CB -0.571 41.487 42.059 -0.002 0.000 0.903 148 L HN 0.162 nan 8.230 nan 0.000 0.435 149 L N -0.562 120.660 121.223 -0.003 0.000 2.093 149 L HA -0.164 4.176 4.340 0.000 0.000 0.208 149 L C 2.045 178.913 176.870 -0.003 0.000 1.085 149 L CA 1.832 56.670 54.840 -0.003 0.000 0.755 149 L CB -0.738 41.319 42.059 -0.003 0.000 0.904 149 L HN 0.358 nan 8.230 nan 0.000 0.435 150 N N -1.034 117.665 118.700 -0.003 0.000 2.244 150 N HA -0.176 4.564 4.740 0.000 0.000 0.183 150 N C 1.849 177.358 175.510 -0.003 0.000 1.016 150 N CA 1.356 54.404 53.050 -0.002 0.000 0.866 150 N CB -0.092 38.394 38.487 -0.002 0.000 0.980 150 N HN 0.512 nan 8.380 nan 0.000 0.430 151 S N 0.260 115.958 115.700 -0.003 0.000 2.402 151 S HA 0.000 4.470 4.470 0.000 0.000 0.229 151 S C 1.590 176.188 174.600 -0.003 0.000 1.021 151 S CA 0.582 58.780 58.200 -0.003 0.000 0.974 151 S CB -0.184 63.015 63.200 -0.002 0.000 0.800 151 S HN 0.150 nan 8.310 nan 0.000 0.484 152 L N 1.416 122.637 121.223 -0.004 0.000 2.610 152 L HA 0.213 4.553 4.340 0.000 0.000 0.232 152 L C 1.912 178.779 176.870 -0.006 0.000 1.149 152 L CA 1.395 56.233 54.840 -0.005 0.000 0.872 152 L CB -1.383 40.673 42.059 -0.005 0.000 0.992 152 L HN 0.704 nan 8.230 nan 0.000 0.447 153 G N -1.191 107.606 108.800 -0.005 0.000 2.179 153 G HA2 -0.207 3.753 3.960 0.000 0.000 0.220 153 G HA3 -0.207 3.753 3.960 0.000 0.000 0.220 153 G C 0.707 175.603 174.900 -0.006 0.000 0.990 153 G CA 0.083 45.180 45.100 -0.006 0.000 0.646 153 G HN 0.536 nan 8.290 nan 0.000 0.517 154 G N -0.667 108.129 108.800 -0.006 0.000 2.630 154 G HA2 0.860 4.820 3.960 0.000 0.000 0.223 154 G HA3 0.860 4.820 3.960 0.000 0.000 0.223 154 G C 0.776 175.673 174.900 -0.004 0.000 1.434 154 G CA 0.696 45.792 45.100 -0.007 0.000 1.057 154 G HN 2.022 nan 8.290 nan 0.000 0.570 155 G N -3.101 105.697 108.800 -0.004 0.000 2.539 155 G HA2 0.195 4.155 3.960 0.000 0.000 0.686 155 G HA3 0.195 4.155 3.960 0.000 0.000 0.686 155 G C -0.061 174.840 174.900 0.001 0.000 1.258 155 G CA -0.295 44.804 45.100 -0.001 0.000 0.846 155 G HN 1.492 nan 8.290 nan 0.000 0.647 156 C N 1.968 121.271 119.300 0.005 0.000 2.596 156 C HA 0.502 4.962 4.460 0.000 0.000 0.414 156 C C 1.985 176.980 174.990 0.009 0.000 1.396 156 C CA 0.300 59.324 59.018 0.010 0.000 1.698 156 C CB -0.076 27.671 27.740 0.012 0.000 2.572 156 C HN 0.763 nan 8.230 nan 0.000 0.604 157 R N 2.490 122.997 120.500 0.011 0.000 2.119 157 R HA 0.323 4.663 4.340 0.000 0.000 0.202 157 R C 0.155 176.462 176.300 0.012 0.000 1.114 157 R CA 0.581 56.687 56.100 0.009 0.000 1.089 157 R CB -0.455 29.849 30.300 0.006 0.000 1.000 157 R HN 0.896 nan 8.270 nan 0.000 0.487 158 D N -1.352 119.060 120.400 0.019 0.000 2.643 158 D HA 0.500 5.140 4.640 0.000 0.000 0.283 158 D C -1.396 174.922 176.300 0.030 0.000 1.242 158 D CA -0.543 53.469 54.000 0.019 0.000 0.863 158 D CB 1.879 42.689 40.800 0.016 0.000 1.382 158 D HN -0.113 nan 8.370 nan 0.000 0.444 159 I N 1.003 121.584 120.570 0.018 0.000 2.569 159 I HA 0.328 4.498 4.170 0.000 0.000 0.290 159 I C -1.112 174.992 176.117 -0.023 0.000 1.088 159 I CA -0.733 60.577 61.300 0.017 0.000 1.047 159 I CB 2.061 40.066 38.000 0.007 0.000 1.237 159 I HN 0.391 nan 8.210 nan 0.000 0.421 160 E N 6.108 126.277 120.200 -0.051 0.000 2.218 160 E HA 0.594 4.944 4.350 0.000 0.000 0.263 160 E C -1.577 174.779 176.600 -0.406 0.000 0.879 160 E CA -0.798 55.478 56.400 -0.206 0.000 0.762 160 E CB 2.353 31.933 29.700 -0.199 0.000 1.166 160 E HN 0.205 nan 8.360 nan 0.000 0.415 161 V N 3.500 123.194 119.914 -0.367 0.000 2.439 161 V HA 0.319 4.439 4.120 0.000 0.000 0.282 161 V C -0.538 175.283 176.094 -0.455 0.000 1.039 161 V CA -0.499 61.606 62.300 -0.326 0.000 0.913 161 V CB 0.663 32.404 31.823 -0.137 0.000 0.983 161 V HN 0.711 nan 8.190 nan 0.000 0.460 162 H N 1.167 120.177 119.070 -0.099 0.000 2.731 162 H HA 0.777 5.333 4.556 0.000 0.000 0.368 162 H C 0.047 175.241 175.328 -0.223 0.000 1.168 162 H CA -0.652 55.272 56.048 -0.208 0.000 1.181 162 H CB 2.059 31.650 29.762 -0.286 0.000 1.743 162 H HN 0.752 nan 8.280 nan 0.000 0.547 163 T N -1.014 113.389 114.554 -0.252 0.000 2.916 163 T HA 0.636 4.986 4.350 0.000 0.000 0.292 163 T C -1.029 173.328 174.700 -0.572 0.000 1.055 163 T CA -0.916 61.040 62.100 -0.241 0.000 1.009 163 T CB 1.206 70.009 68.868 -0.109 0.000 1.118 163 T HN 0.400 nan 8.240 nan 0.000 0.497 164 F N 0.679 120.648 119.950 0.033 0.000 2.949 164 F HA 0.617 5.144 4.527 0.000 0.000 0.376 164 F C 1.058 176.867 175.800 0.015 0.000 1.205 164 F CA -1.133 56.879 58.000 0.020 0.000 1.155 164 F CB 1.040 40.051 39.000 0.019 0.000 1.495 164 F HN 0.879 nan 8.300 nan 0.000 0.551 165 A N 0.621 123.518 122.820 0.129 0.000 1.930 165 A HA -0.085 4.235 4.320 0.000 0.000 0.215 165 A C 0.883 178.518 177.584 0.086 0.000 1.176 165 A CA 0.996 53.084 52.037 0.086 0.000 0.632 165 A CB -0.273 18.753 19.000 0.043 0.000 0.819 165 A HN 0.587 nan 8.150 nan 0.000 0.445 166 D N 0.604 121.062 120.400 0.096 0.000 2.522 166 D HA 0.363 5.003 4.640 0.000 0.000 0.218 166 D C -0.745 175.602 176.300 0.077 0.000 1.149 166 D CA 0.302 54.346 54.000 0.073 0.000 0.981 166 D CB -0.021 40.815 40.800 0.060 0.000 1.041 166 D HN 0.104 nan 8.370 nan 0.000 0.518 167 T N 2.660 117.250 114.554 0.060 0.000 2.876 167 T HA 0.276 4.626 4.350 0.000 0.000 0.289 167 T C -1.605 173.102 174.700 0.012 0.000 1.014 167 T CA -1.369 60.749 62.100 0.029 0.000 0.986 167 T CB 1.986 70.869 68.868 0.024 0.000 1.021 167 T HN 0.036 nan 8.240 nan 0.000 0.458 168 P HA -0.074 nan 4.420 nan 0.000 0.215 168 P C 1.248 178.545 177.300 -0.004 0.000 1.157 168 P CA 0.935 64.031 63.100 -0.006 0.000 0.874 168 P CB 0.263 31.953 31.700 -0.016 0.000 0.790 169 R N -0.562 119.932 120.500 -0.009 0.000 2.335 169 R HA 0.343 4.683 4.340 0.000 0.000 0.223 169 R C 0.974 177.276 176.300 0.004 0.000 0.940 169 R CA 0.603 56.700 56.100 -0.006 0.000 1.086 169 R CB -0.766 29.526 30.300 -0.014 0.000 1.073 169 R HN 0.271 nan 8.270 nan 0.000 0.504 170 G N 1.903 110.711 108.800 0.012 0.000 2.661 170 G HA2 -0.173 3.787 3.960 0.000 0.000 0.685 170 G HA3 -0.173 3.787 3.960 0.000 0.000 0.685 170 G C -2.887 172.037 174.900 0.041 0.000 1.298 170 G CA -1.104 44.010 45.100 0.024 0.000 0.855 170 G HN -0.028 nan 8.290 nan 0.000 0.560 171 P HA 0.436 nan 4.420 nan 0.000 0.271 171 P C 0.014 177.365 177.300 0.084 0.000 1.218 171 P CA 0.298 63.445 63.100 0.079 0.000 0.780 171 P CB 0.759 32.495 31.700 0.061 0.000 0.901 172 M N 1.104 120.784 119.600 0.133 0.000 2.520 172 M HA 0.562 5.042 4.480 0.000 0.000 0.283 172 M C -1.691 174.720 176.300 0.184 0.000 1.237 172 M CA -1.374 54.006 55.300 0.132 0.000 0.885 172 M CB 2.052 34.719 32.600 0.112 0.000 1.727 172 M HN -0.004 nan 8.290 nan 0.000 0.468 173 L N 2.255 123.560 121.223 0.137 0.000 2.317 173 L HA 0.786 5.126 4.340 0.000 0.000 0.281 173 L C -1.307 175.662 176.870 0.164 0.000 1.024 173 L CA -0.399 54.518 54.840 0.129 0.000 0.810 173 L CB 2.052 44.152 42.059 0.069 0.000 1.240 173 L HN 0.654 nan 8.230 nan 0.000 0.427 174 V N 4.797 124.837 119.914 0.210 0.000 2.380 174 V HA 0.698 4.818 4.120 0.000 0.000 0.286 174 V C 0.086 176.320 176.094 0.234 0.000 1.015 174 V CA -0.684 61.770 62.300 0.257 0.000 0.834 174 V CB 1.072 33.151 31.823 0.427 0.000 1.009 174 V HN 0.890 nan 8.190 nan 0.000 0.428 175 A N 3.463 126.381 122.820 0.163 0.000 2.310 175 A HA 0.777 5.097 4.320 0.000 0.000 0.299 175 A C -0.629 177.098 177.584 0.238 0.000 1.147 175 A CA -0.259 51.853 52.037 0.125 0.000 0.818 175 A CB 0.264 19.297 19.000 0.055 0.000 1.096 175 A HN 0.867 nan 8.150 nan 0.000 0.495 176 H N 1.140 120.197 119.070 -0.021 0.000 2.511 176 H HA 0.484 5.040 4.556 0.000 0.000 0.328 176 H C -0.727 174.629 175.328 0.046 0.000 1.044 176 H CA -0.467 55.602 56.048 0.034 0.000 1.212 176 H CB 1.164 30.972 29.762 0.077 0.000 1.428 176 H HN 0.508 nan 8.280 nan 0.000 0.483 177 L N 5.016 126.319 121.223 0.133 0.000 2.257 177 L HA 0.342 4.682 4.340 0.000 0.000 0.290 177 L C 0.018 176.965 176.870 0.128 0.000 1.044 177 L CA -0.320 54.579 54.840 0.098 0.000 0.810 177 L CB 0.678 42.768 42.059 0.052 0.000 1.193 177 L HN 0.523 nan 8.230 nan 0.000 0.425 178 I N 4.669 125.307 120.570 0.114 0.000 2.278 178 I HA 0.143 4.313 4.170 0.000 0.000 0.296 178 I C -0.160 175.980 176.117 0.038 0.000 1.121 178 I CA -0.290 61.062 61.300 0.088 0.000 1.267 178 I CB 0.716 38.761 38.000 0.075 0.000 1.447 178 I HN 0.267 nan 8.210 nan 0.000 0.509 179 V N 5.259 125.189 119.914 0.026 0.000 2.481 179 V HA 0.156 4.276 4.120 0.000 0.000 0.286 179 V C 0.317 176.406 176.094 -0.009 0.000 1.042 179 V CA -0.588 61.717 62.300 0.009 0.000 0.928 179 V CB 1.862 33.692 31.823 0.012 0.000 0.986 179 V HN 0.592 nan 8.190 nan 0.000 0.462 180 D N 4.260 124.655 120.400 -0.009 0.000 2.524 180 D HA 0.251 4.891 4.640 0.000 0.000 0.222 180 D C 0.231 176.522 176.300 -0.015 0.000 1.142 180 D CA -0.149 53.841 54.000 -0.016 0.000 0.973 180 D CB 1.109 41.902 40.800 -0.013 0.000 1.025 180 D HN 0.433 nan 8.370 nan 0.000 0.519 181 V N 1.666 121.569 119.914 -0.018 0.000 3.751 181 V HA 0.650 4.770 4.120 0.000 0.000 0.274 181 V C 0.159 176.242 176.094 -0.018 0.000 0.960 181 V CA -0.329 61.961 62.300 -0.016 0.000 0.960 181 V CB 0.728 32.541 31.823 -0.016 0.000 1.244 181 V HN 0.633 nan 8.190 nan 0.000 0.417 182 R N -1.546 118.944 120.500 -0.017 0.000 3.329 182 R HA 0.239 4.579 4.340 0.000 0.000 0.251 182 R C -1.019 175.271 176.300 -0.016 0.000 1.023 182 R CA -0.124 55.965 56.100 -0.018 0.000 1.009 182 R CB 0.248 30.539 30.300 -0.015 0.000 1.250 182 R HN 0.721 nan 8.270 nan 0.000 0.518 183 D N -0.847 119.542 120.400 -0.017 0.000 3.059 183 D HA -0.232 4.408 4.640 0.000 0.000 0.222 183 D C -0.412 175.880 176.300 -0.013 0.000 1.185 183 D CA 2.135 56.126 54.000 -0.015 0.000 0.904 183 D CB -0.866 39.927 40.800 -0.012 0.000 1.122 183 D HN 0.836 nan 8.370 nan 0.000 0.410 184 A N -0.452 122.359 122.820 -0.015 0.000 2.455 184 A HA 0.603 4.923 4.320 0.000 0.000 0.300 184 A C 0.873 178.448 177.584 -0.016 0.000 1.040 184 A CA -0.169 51.860 52.037 -0.013 0.000 0.697 184 A CB 1.669 20.663 19.000 -0.011 0.000 1.265 184 A HN 0.026 nan 8.150 nan 0.000 0.407 185 M N 2.103 121.693 119.600 -0.015 0.000 2.358 185 M HA 0.022 4.502 4.480 0.000 0.000 0.264 185 M C 1.397 177.688 176.300 -0.015 0.000 1.064 185 M CA 2.475 57.764 55.300 -0.017 0.000 1.093 185 M CB -0.217 32.373 32.600 -0.017 0.000 1.401 185 M HN 1.908 nan 8.290 nan 0.000 0.440 186 G N -0.546 108.247 108.800 -0.013 0.000 2.155 186 G HA2 -0.342 3.619 3.960 0.000 0.000 0.257 186 G HA3 -0.342 3.619 3.960 0.000 0.000 0.257 186 G C 0.885 175.781 174.900 -0.007 0.000 0.983 186 G CA 0.926 46.020 45.100 -0.010 0.000 0.676 186 G HN 0.722 nan 8.290 nan 0.000 0.528 187 A N 0.566 123.380 122.820 -0.009 0.000 1.849 187 A HA -0.124 4.196 4.320 0.000 0.000 0.217 187 A C 2.103 179.681 177.584 -0.010 0.000 1.202 187 A CA 2.264 54.295 52.037 -0.010 0.000 0.629 187 A CB -0.742 18.248 19.000 -0.017 0.000 0.834 187 A HN 0.676 nan 8.150 nan 0.000 0.447 188 N N -1.143 117.551 118.700 -0.011 0.000 2.223 188 N HA -0.109 4.631 4.740 0.000 0.000 0.185 188 N C 1.644 177.150 175.510 -0.007 0.000 1.016 188 N CA 1.531 54.575 53.050 -0.010 0.000 0.863 188 N CB -0.228 38.253 38.487 -0.010 0.000 0.983 188 N HN 0.510 nan 8.380 nan 0.000 0.429 189 T N 0.510 115.061 114.554 -0.006 0.000 2.777 189 T HA -0.059 4.291 4.350 0.000 0.000 0.266 189 T C 2.167 176.866 174.700 -0.002 0.000 1.040 189 T CA 0.729 62.827 62.100 -0.004 0.000 1.141 189 T CB -0.174 68.692 68.868 -0.004 0.000 0.868 189 T HN 0.000 nan 8.240 nan 0.000 0.444 190 V N 2.298 122.212 119.914 -0.000 0.000 2.379 190 V HA -0.118 4.002 4.120 0.000 0.000 0.245 190 V C 2.421 178.515 176.094 -0.000 0.000 1.044 190 V CA 1.338 63.641 62.300 0.004 0.000 1.036 190 V CB -0.605 31.224 31.823 0.011 0.000 0.664 190 V HN 0.395 nan 8.190 nan 0.000 0.453 191 N N 0.219 118.916 118.700 -0.005 0.000 2.166 191 N HA -0.139 4.601 4.740 0.000 0.000 0.186 191 N C 1.888 177.394 175.510 -0.007 0.000 1.019 191 N CA 1.916 54.961 53.050 -0.009 0.000 0.856 191 N CB -0.519 37.961 38.487 -0.012 0.000 0.993 191 N HN 0.442 nan 8.380 nan 0.000 0.426 192 T N 0.868 115.419 114.554 -0.005 0.000 2.904 192 T HA 0.046 4.396 4.350 0.000 0.000 0.267 192 T C 1.972 176.670 174.700 -0.002 0.000 1.059 192 T CA 0.758 62.855 62.100 -0.004 0.000 1.137 192 T CB -0.016 68.850 68.868 -0.004 0.000 0.879 192 T HN 0.218 nan 8.240 nan 0.000 0.467 193 M N 0.828 120.428 119.600 -0.000 0.000 2.200 193 M HA 0.054 4.534 4.480 0.000 0.000 0.265 193 M C 2.782 179.084 176.300 0.003 0.000 1.066 193 M CA 1.141 56.442 55.300 0.002 0.000 1.127 193 M CB -0.367 32.237 32.600 0.005 0.000 1.379 193 M HN 0.275 nan 8.290 nan 0.000 0.420 194 A N 0.295 123.116 122.820 0.001 0.000 1.969 194 A HA -0.128 4.192 4.320 0.000 0.000 0.218 194 A C 2.004 179.587 177.584 -0.001 0.000 1.169 194 A CA 1.317 53.354 52.037 -0.001 0.000 0.635 194 A CB -0.404 18.592 19.000 -0.008 0.000 0.810 194 A HN 0.393 nan 8.150 nan 0.000 0.445 195 E N 0.069 120.268 120.200 -0.002 0.000 2.072 195 E HA -0.093 4.257 4.350 0.000 0.000 0.191 195 E C 2.302 178.901 176.600 -0.000 0.000 0.985 195 E CA 1.184 57.582 56.400 -0.002 0.000 0.801 195 E CB -0.571 29.127 29.700 -0.004 0.000 0.750 195 E HN 0.581 nan 8.360 nan 0.000 0.452 196 A N 1.065 123.886 122.820 0.000 0.000 1.930 196 A HA -0.081 4.239 4.320 0.000 0.000 0.217 196 A C 2.540 180.125 177.584 0.002 0.000 1.175 196 A CA 1.074 53.111 52.037 0.001 0.000 0.627 196 A CB -0.407 18.594 19.000 0.001 0.000 0.815 196 A HN 0.121 nan 8.150 nan 0.000 0.443 197 V N -0.420 119.497 119.914 0.004 0.000 2.649 197 V HA -0.108 4.012 4.120 0.000 0.000 0.248 197 V C 2.962 179.060 176.094 0.006 0.000 1.054 197 V CA 1.248 63.552 62.300 0.005 0.000 1.073 197 V CB -0.951 30.877 31.823 0.008 0.000 0.699 197 V HN 0.607 nan 8.190 nan 0.000 0.463 198 A N 0.914 123.737 122.820 0.005 0.000 1.894 198 A HA -0.257 4.063 4.320 0.000 0.000 0.220 198 A C 0.512 178.100 177.584 0.006 0.000 1.237 198 A CA 2.717 54.757 52.037 0.006 0.000 0.660 198 A CB -2.139 16.864 19.000 0.004 0.000 0.835 198 A HN 0.513 nan 8.150 nan 0.000 0.461 199 P HA -0.166 nan 4.420 nan 0.000 0.214 199 P C 1.734 179.037 177.300 0.004 0.000 1.163 199 P CA 1.272 64.375 63.100 0.004 0.000 0.889 199 P CB -0.131 31.571 31.700 0.002 0.000 0.790 200 L N -1.342 119.884 121.223 0.004 0.000 2.046 200 L HA -0.131 4.209 4.340 0.000 0.000 0.208 200 L C 2.217 179.090 176.870 0.005 0.000 1.077 200 L CA 1.957 56.799 54.840 0.004 0.000 0.747 200 L CB -1.164 40.898 42.059 0.004 0.000 0.896 200 L HN -0.089 nan 8.230 nan 0.000 0.432 201 M N -1.220 118.384 119.600 0.007 0.000 2.296 201 M HA -0.172 4.308 4.480 0.000 0.000 0.265 201 M C 1.982 178.287 176.300 0.009 0.000 1.064 201 M CA 1.482 56.787 55.300 0.008 0.000 1.109 201 M CB -0.388 32.219 32.600 0.012 0.000 1.396 201 M HN 0.322 nan 8.290 nan 0.000 0.430 202 E N 0.569 120.774 120.200 0.008 0.000 2.152 202 E HA -0.073 4.277 4.350 0.000 0.000 0.192 202 E C 2.150 178.753 176.600 0.006 0.000 0.983 202 E CA 0.951 57.356 56.400 0.008 0.000 0.818 202 E CB -0.062 29.642 29.700 0.007 0.000 0.758 202 E HN 0.495 nan 8.360 nan 0.000 0.467 203 A N 0.955 123.778 122.820 0.005 0.000 1.972 203 A HA -0.151 4.169 4.320 0.000 0.000 0.219 203 A C 2.045 179.631 177.584 0.004 0.000 1.169 203 A CA 1.056 53.096 52.037 0.004 0.000 0.635 203 A CB -0.358 18.644 19.000 0.003 0.000 0.810 203 A HN 0.119 nan 8.150 nan 0.000 0.446 204 I N -0.834 119.738 120.570 0.004 0.000 2.368 204 I HA -0.119 4.051 4.170 0.000 0.000 0.238 204 I C 2.825 178.944 176.117 0.004 0.000 1.076 204 I CA 1.571 62.873 61.300 0.003 0.000 1.397 204 I CB -0.674 37.327 38.000 0.002 0.000 1.141 204 I HN 0.437 nan 8.210 nan 0.000 0.430 205 T N -1.154 113.404 114.554 0.006 0.000 2.951 205 T HA 0.044 4.394 4.350 0.000 0.000 0.268 205 T C 1.664 176.369 174.700 0.008 0.000 1.073 205 T CA 0.845 62.950 62.100 0.008 0.000 1.134 205 T CB -0.289 68.586 68.868 0.012 0.000 0.884 205 T HN 0.617 nan 8.240 nan 0.000 0.479 206 G N 0.607 109.412 108.800 0.008 0.000 2.147 206 G HA2 0.030 3.990 3.960 0.000 0.000 0.244 206 G HA3 0.030 3.990 3.960 0.000 0.000 0.244 206 G C 0.319 175.225 174.900 0.010 0.000 1.005 206 G CA 0.023 45.128 45.100 0.008 0.000 0.713 206 G HN 1.069 nan 8.290 nan 0.000 0.515 207 G N -1.420 107.388 108.800 0.012 0.000 2.705 207 G HA2 0.653 4.613 3.960 0.000 0.000 0.299 207 G HA3 0.653 4.613 3.960 0.000 0.000 0.299 207 G C -0.547 174.361 174.900 0.013 0.000 1.315 207 G CA -0.660 44.449 45.100 0.014 0.000 1.045 207 G HN 0.326 nan 8.290 nan 0.000 0.517 208 Q N -0.211 119.597 119.800 0.013 0.000 2.372 208 Q HA 0.456 4.796 4.340 0.000 0.000 0.259 208 Q C -0.248 175.760 176.000 0.012 0.000 0.993 208 Q CA -0.422 55.388 55.803 0.011 0.000 0.854 208 Q CB 2.086 30.829 28.738 0.008 0.000 1.231 208 Q HN 0.259 nan 8.270 nan 0.000 0.462 209 V N 4.477 124.398 119.914 0.011 0.000 2.529 209 V HA 0.065 4.185 4.120 0.000 0.000 0.292 209 V C 0.905 177.003 176.094 0.007 0.000 1.028 209 V CA 0.197 62.504 62.300 0.012 0.000 1.074 209 V CB 0.479 32.308 31.823 0.010 0.000 0.958 209 V HN 0.726 nan 8.190 nan 0.000 0.481 210 R N 3.528 124.032 120.500 0.007 0.000 1.741 210 R HA 0.452 4.792 4.340 0.000 0.000 0.135 210 R C 0.204 176.502 176.300 -0.004 0.000 2.034 210 R CA -0.161 55.940 56.100 0.000 0.000 1.732 210 R CB -0.220 30.079 30.300 -0.002 0.000 1.201 210 R HN 0.482 nan 8.270 nan 0.000 0.485 211 L N 2.449 123.668 121.223 -0.007 0.000 2.426 211 L HA 0.271 4.611 4.340 0.000 0.000 0.271 211 L C 0.283 177.146 176.870 -0.012 0.000 1.169 211 L CA 0.234 55.066 54.840 -0.013 0.000 0.836 211 L CB 0.187 42.234 42.059 -0.021 0.000 1.112 211 L HN 0.205 nan 8.230 nan 0.000 0.465 212 R N 2.446 122.936 120.500 -0.016 0.000 2.674 212 R HA 0.405 4.745 4.340 0.000 0.000 0.270 212 R C -0.971 175.315 176.300 -0.024 0.000 1.492 212 R CA -0.268 55.822 56.100 -0.018 0.000 1.624 212 R CB 0.765 31.058 30.300 -0.011 0.000 1.307 212 R HN 0.426 nan 8.270 nan 0.000 0.683 213 I N 0.505 121.055 120.570 -0.035 0.000 3.133 213 I HA 0.463 4.633 4.170 0.000 0.000 0.311 213 I C -0.314 175.774 176.117 -0.049 0.000 1.072 213 I CA -1.694 59.584 61.300 -0.036 0.000 1.015 213 I CB 1.471 39.450 38.000 -0.035 0.000 1.233 213 I HN 0.263 nan 8.210 nan 0.000 0.473 214 L N 1.011 122.212 121.223 -0.036 0.000 2.488 214 L HA 0.672 5.012 4.340 0.000 0.000 0.249 214 L C -0.201 176.646 176.870 -0.039 0.000 1.151 214 L CA -0.386 54.437 54.840 -0.030 0.000 0.806 214 L CB 0.941 43.001 42.059 0.002 0.000 1.261 214 L HN 0.544 nan 8.230 nan 0.000 0.484 215 S N -0.120 115.575 115.700 -0.009 0.000 2.552 215 S HA 0.353 4.823 4.470 0.000 0.000 0.314 215 S C 0.409 175.054 174.600 0.075 0.000 1.099 215 S CA -0.784 57.411 58.200 -0.007 0.000 1.070 215 S CB 0.764 63.889 63.200 -0.125 0.000 0.998 215 S HN 0.776 nan 8.310 nan 0.000 0.474 216 N N 2.634 121.363 118.700 0.047 0.000 2.453 216 N HA -0.051 4.689 4.740 0.000 0.000 0.183 216 N C 0.500 176.059 175.510 0.082 0.000 1.041 216 N CA 0.452 53.533 53.050 0.052 0.000 0.900 216 N CB -0.181 38.323 38.487 0.029 0.000 0.961 216 N HN 0.524 nan 8.380 nan 0.000 0.443 217 L N 1.760 123.053 121.223 0.116 0.000 2.391 217 L HA 0.238 4.578 4.340 0.000 0.000 0.249 217 L C 0.109 177.125 176.870 0.244 0.000 1.308 217 L CA -0.532 54.404 54.840 0.160 0.000 1.209 217 L CB -0.637 41.519 42.059 0.162 0.000 1.401 217 L HN -0.110 nan 8.230 nan 0.000 0.416 218 A N 2.406 125.311 122.820 0.142 0.000 3.026 218 A HA 0.209 4.529 4.320 0.000 0.000 0.272 218 A C 0.877 178.462 177.584 0.001 0.000 1.782 218 A CA -0.010 52.068 52.037 0.068 0.000 1.451 218 A CB -0.867 18.123 19.000 -0.017 0.000 1.081 218 A HN 0.764 nan 8.150 nan 0.000 0.611 219 D N 0.559 121.022 120.400 0.104 0.000 2.349 219 D HA -0.045 4.595 4.640 0.000 0.000 0.224 219 D C 0.901 177.213 176.300 0.020 0.000 1.029 219 D CA 0.343 54.399 54.000 0.093 0.000 0.879 219 D CB -0.134 40.848 40.800 0.303 0.000 0.906 219 D HN 0.522 nan 8.370 nan 0.000 0.528 220 L N -0.994 120.183 121.223 -0.076 0.000 2.590 220 L HA 0.241 4.581 4.340 0.000 0.000 0.227 220 L C 1.445 178.258 176.870 -0.095 0.000 1.099 220 L CA -0.203 54.583 54.840 -0.090 0.000 0.872 220 L CB 0.258 42.220 42.059 -0.162 0.000 1.088 220 L HN -0.089 nan 8.230 nan 0.000 0.479 221 R N 1.486 121.917 120.500 -0.114 0.000 3.559 221 R HA 0.366 4.706 4.340 0.000 0.000 0.273 221 R C -0.713 175.519 176.300 -0.115 0.000 1.423 221 R CA -0.259 55.780 56.100 -0.101 0.000 1.581 221 R CB 0.009 30.250 30.300 -0.099 0.000 1.338 221 R HN 0.148 nan 8.270 nan 0.000 0.667 222 L N 1.259 122.415 121.223 -0.110 0.000 2.421 222 L HA 0.635 4.975 4.340 0.000 0.000 0.263 222 L C 0.123 176.935 176.870 -0.098 0.000 1.122 222 L CA -0.807 53.952 54.840 -0.135 0.000 0.804 222 L CB 1.570 43.557 42.059 -0.119 0.000 1.150 222 L HN 0.376 nan 8.230 nan 0.000 0.457 223 A N 2.394 125.151 122.820 -0.105 0.000 2.393 223 A HA 0.825 5.145 4.320 0.000 0.000 0.306 223 A C -0.839 176.707 177.584 -0.065 0.000 1.050 223 A CA -0.692 51.299 52.037 -0.076 0.000 0.724 223 A CB 1.394 20.347 19.000 -0.079 0.000 1.248 223 A HN 0.792 nan 8.150 nan 0.000 0.424 224 R N 0.358 120.832 120.500 -0.043 0.000 2.807 224 R HA 0.851 5.191 4.340 0.000 0.000 0.276 224 R C -0.688 175.604 176.300 -0.012 0.000 0.979 224 R CA -0.537 55.545 56.100 -0.031 0.000 0.928 224 R CB 2.504 32.789 30.300 -0.025 0.000 1.191 224 R HN 1.014 nan 8.270 nan 0.000 0.471 225 A N 1.677 124.496 122.820 -0.003 0.000 2.520 225 A HA 0.511 4.831 4.320 0.000 0.000 0.298 225 A C -1.451 176.152 177.584 0.032 0.000 1.051 225 A CA -0.724 51.342 52.037 0.047 0.000 0.690 225 A CB 1.958 21.004 19.000 0.076 0.000 1.281 225 A HN 0.642 nan 8.150 nan 0.000 0.402 226 Q N -0.054 119.783 119.800 0.062 0.000 2.397 226 Q HA 0.711 5.051 4.340 0.000 0.000 0.275 226 Q C -0.922 175.057 176.000 -0.034 0.000 1.090 226 Q CA -1.020 54.771 55.803 -0.019 0.000 0.809 226 Q CB 3.016 31.729 28.738 -0.041 0.000 1.362 226 Q HN 1.069 nan 8.270 nan 0.000 0.431 227 V N -1.473 118.367 119.914 -0.123 0.000 3.049 227 V HA 0.769 4.889 4.120 0.000 0.000 0.309 227 V C -1.197 174.819 176.094 -0.130 0.000 1.148 227 V CA -1.061 61.117 62.300 -0.203 0.000 0.990 227 V CB 2.246 33.959 31.823 -0.183 0.000 1.039 227 V HN 0.811 nan 8.190 nan 0.000 0.430 228 R N 2.725 123.138 120.500 -0.145 0.000 2.538 228 R HA 0.754 5.094 4.340 0.000 0.000 0.292 228 R C -1.992 174.238 176.300 -0.117 0.000 1.008 228 R CA -0.703 55.347 56.100 -0.084 0.000 0.896 228 R CB 1.815 32.065 30.300 -0.083 0.000 1.187 228 R HN 0.813 nan 8.270 nan 0.000 0.440 229 I N 3.783 124.317 120.570 -0.061 0.000 2.439 229 I HA 0.200 4.370 4.170 0.000 0.000 0.285 229 I C 0.029 176.074 176.117 -0.119 0.000 1.021 229 I CA -0.575 60.666 61.300 -0.099 0.000 1.091 229 I CB 1.883 39.854 38.000 -0.048 0.000 1.242 229 I HN 0.629 nan 8.210 nan 0.000 0.439 230 T N 8.788 123.205 114.554 -0.229 0.000 2.901 230 T HA 0.133 4.483 4.350 0.000 0.000 0.301 230 T C -1.139 173.528 174.700 -0.056 0.000 1.012 230 T CA -0.761 61.199 62.100 -0.233 0.000 1.135 230 T CB 0.979 69.675 68.868 -0.287 0.000 0.936 230 T HN 0.449 nan 8.240 nan 0.000 0.539 231 P HA -0.162 nan 4.420 nan 0.000 0.216 231 P C 1.313 178.625 177.300 0.021 0.000 1.150 231 P CA 1.114 64.239 63.100 0.041 0.000 0.837 231 P CB 0.264 32.009 31.700 0.076 0.000 0.786 232 Q N -0.030 119.779 119.800 0.016 0.000 2.291 232 Q HA -0.142 4.198 4.340 0.000 0.000 0.206 232 Q C 2.212 178.210 176.000 -0.002 0.000 0.976 232 Q CA 1.240 57.050 55.803 0.012 0.000 0.875 232 Q CB -0.537 28.207 28.738 0.010 0.000 0.927 232 Q HN 0.559 nan 8.270 nan 0.000 0.450 233 Q N -0.345 119.438 119.800 -0.029 0.000 2.212 233 Q HA 0.055 4.395 4.340 0.000 0.000 0.199 233 Q C 1.908 177.890 176.000 -0.031 0.000 0.950 233 Q CA 0.532 56.309 55.803 -0.043 0.000 0.863 233 Q CB 0.252 28.935 28.738 -0.091 0.000 0.944 233 Q HN 0.353 nan 8.270 nan 0.000 0.465 234 L N 0.624 121.832 121.223 -0.025 0.000 2.509 234 L HA 0.097 4.437 4.340 0.000 0.000 0.222 234 L C 0.898 177.785 176.870 0.028 0.000 1.123 234 L CA -0.061 54.770 54.840 -0.015 0.000 0.856 234 L CB 0.047 42.087 42.059 -0.032 0.000 0.985 234 L HN 0.183 nan 8.230 nan 0.000 0.456 235 E N 1.793 122.017 120.200 0.039 0.000 2.498 235 E HA -0.011 4.339 4.350 0.000 0.000 0.252 235 E C 0.323 176.969 176.600 0.077 0.000 1.025 235 E CA -0.030 56.408 56.400 0.063 0.000 0.938 235 E CB 0.581 30.311 29.700 0.050 0.000 0.947 235 E HN 0.206 nan 8.360 nan 0.000 0.478 236 T N 0.985 115.605 114.554 0.110 0.000 2.898 236 T HA 0.576 4.926 4.350 0.000 0.000 0.283 236 T C 1.011 175.774 174.700 0.104 0.000 1.059 236 T CA -0.152 62.018 62.100 0.116 0.000 0.958 236 T CB 1.062 70.021 68.868 0.151 0.000 1.594 236 T HN 0.361 nan 8.240 nan 0.000 0.598 237 A N -0.165 122.717 122.820 0.103 0.000 1.943 237 A HA 0.183 4.503 4.320 0.000 0.000 0.213 237 A C 2.098 179.716 177.584 0.057 0.000 1.181 237 A CA 0.594 52.673 52.037 0.070 0.000 0.653 237 A CB -0.653 18.383 19.000 0.061 0.000 0.833 237 A HN 0.871 nan 8.150 nan 0.000 0.451 238 E N -1.758 118.501 120.200 0.098 0.000 2.216 238 E HA 0.157 4.507 4.350 0.000 0.000 0.192 238 E C -0.654 175.850 176.600 -0.160 0.000 0.973 238 E CA 0.102 56.502 56.400 -0.001 0.000 0.851 238 E CB 0.152 29.897 29.700 0.076 0.000 0.804 238 E HN 0.535 nan 8.360 nan 0.000 0.477 239 F N 1.051 121.009 119.950 0.014 0.000 2.507 239 F HA 0.243 4.770 4.527 0.000 0.000 0.327 239 F C 0.657 176.465 175.800 0.013 0.000 1.068 239 F CA -1.166 56.841 58.000 0.012 0.000 0.965 239 F CB 1.531 40.538 39.000 0.011 0.000 1.192 239 F HN -0.213 nan 8.300 nan 0.000 0.476 240 S N 0.132 115.934 115.700 0.170 0.000 2.652 240 S HA 0.468 4.938 4.470 0.000 0.000 0.270 240 S C 1.083 175.753 174.600 0.116 0.000 1.243 240 S CA -0.282 57.981 58.200 0.106 0.000 0.999 240 S CB 1.270 64.507 63.200 0.063 0.000 0.973 240 S HN 0.850 nan 8.310 nan 0.000 0.544 241 G N 1.087 109.934 108.800 0.078 0.000 2.421 241 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 241 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 241 G C 1.315 176.253 174.900 0.063 0.000 1.171 241 G CA 0.780 45.918 45.100 0.063 0.000 0.775 241 G HN 0.853 nan 8.290 nan 0.000 0.543 242 E N 1.388 121.627 120.200 0.064 0.000 2.204 242 E HA 0.011 4.361 4.350 0.000 0.000 0.194 242 E C 2.606 179.249 176.600 0.072 0.000 0.989 242 E CA 1.000 57.438 56.400 0.063 0.000 0.824 242 E CB -0.793 28.939 29.700 0.054 0.000 0.756 242 E HN 0.380 nan 8.360 nan 0.000 0.477 243 A N 1.853 124.730 122.820 0.095 0.000 1.902 243 A HA -0.088 4.232 4.320 0.000 0.000 0.217 243 A C 2.612 180.268 177.584 0.120 0.000 1.181 243 A CA 1.560 53.676 52.037 0.133 0.000 0.623 243 A CB -0.742 18.382 19.000 0.207 0.000 0.818 243 A HN 0.149 nan 8.150 nan 0.000 0.443 244 V N 0.774 120.742 119.914 0.090 0.000 2.427 244 V HA -0.228 3.892 4.120 0.000 0.000 0.248 244 V C 2.411 178.497 176.094 -0.012 0.000 1.051 244 V CA 1.523 63.823 62.300 0.001 0.000 1.048 244 V CB -0.721 31.085 31.823 -0.029 0.000 0.666 244 V HN 0.508 nan 8.190 nan 0.000 0.456 245 I N 0.168 120.748 120.570 0.018 0.000 2.163 245 I HA -0.168 4.002 4.170 0.000 0.000 0.243 245 I C 2.640 178.780 176.117 0.038 0.000 1.085 245 I CA 1.555 62.869 61.300 0.024 0.000 1.347 245 I CB -1.147 36.885 38.000 0.053 0.000 1.044 245 I HN 0.380 nan 8.210 nan 0.000 0.408 246 E N 0.965 121.196 120.200 0.051 0.000 2.110 246 E HA -0.129 4.221 4.350 0.000 0.000 0.193 246 E C 2.315 178.947 176.600 0.053 0.000 0.988 246 E CA 1.267 57.703 56.400 0.061 0.000 0.804 246 E CB -0.633 29.105 29.700 0.063 0.000 0.745 246 E HN 0.533 nan 8.360 nan 0.000 0.458 247 G N 1.648 110.468 108.800 0.032 0.000 2.446 247 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 247 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 247 G C 1.780 176.684 174.900 0.006 0.000 1.168 247 G CA 0.763 45.870 45.100 0.011 0.000 0.771 247 G HN 0.204 nan 8.290 nan 0.000 0.551 248 I N 0.411 120.964 120.570 -0.029 0.000 2.226 248 I HA -0.150 4.020 4.170 0.000 0.000 0.245 248 I C 2.727 178.872 176.117 0.047 0.000 1.100 248 I CA 0.749 62.007 61.300 -0.070 0.000 1.374 248 I CB -0.213 37.671 38.000 -0.192 0.000 1.057 248 I HN 0.141 nan 8.210 nan 0.000 0.413 249 L N 0.135 121.420 121.223 0.103 0.000 2.083 249 L HA -0.236 4.104 4.340 0.000 0.000 0.209 249 L C 2.089 179.078 176.870 0.198 0.000 1.083 249 L CA 1.180 56.146 54.840 0.209 0.000 0.752 249 L CB -0.699 41.462 42.059 0.171 0.000 0.899 249 L HN 0.276 nan 8.230 nan 0.000 0.433 250 D N 0.215 120.691 120.400 0.126 0.000 2.144 250 D HA -0.117 4.523 4.640 0.000 0.000 0.200 250 D C 2.232 178.624 176.300 0.153 0.000 0.978 250 D CA 1.427 55.490 54.000 0.105 0.000 0.833 250 D CB 0.057 40.895 40.800 0.063 0.000 0.961 250 D HN 0.291 nan 8.370 nan 0.000 0.470 251 A N 0.039 122.959 122.820 0.167 0.000 1.969 251 A HA -0.187 4.133 4.320 0.000 0.000 0.218 251 A C 2.111 179.841 177.584 0.243 0.000 1.169 251 A CA 0.963 53.134 52.037 0.224 0.000 0.635 251 A CB -0.748 18.341 19.000 0.148 0.000 0.810 251 A HN 0.313 nan 8.150 nan 0.000 0.445 252 Y N 0.710 121.089 120.300 0.131 0.000 2.153 252 Y HA 0.016 4.566 4.550 0.000 0.000 0.289 252 Y C 2.608 178.565 175.900 0.095 0.000 1.127 252 Y CA 1.028 59.210 58.100 0.136 0.000 1.131 252 Y CB -0.944 37.665 38.460 0.248 0.000 0.995 252 Y HN 0.280 nan 8.280 nan 0.000 0.505 253 A N 0.908 123.609 122.820 -0.197 0.000 1.903 253 A HA -0.275 4.045 4.320 0.000 0.000 0.219 253 A C 2.247 179.792 177.584 -0.065 0.000 1.191 253 A CA 1.950 53.846 52.037 -0.235 0.000 0.638 253 A CB -1.736 17.245 19.000 -0.033 0.000 0.823 253 A HN 0.621 nan 8.150 nan 0.000 0.451 254 F N 1.120 121.004 119.950 -0.110 0.000 2.065 254 F HA -0.182 4.345 4.527 0.000 0.000 0.298 254 F C 2.534 178.294 175.800 -0.068 0.000 1.112 254 F CA 1.218 59.187 58.000 -0.052 0.000 1.212 254 F CB -1.055 37.943 39.000 -0.003 0.000 0.975 254 F HN 0.264 nan 8.300 nan 0.000 0.476 255 A N -0.194 122.513 122.820 -0.189 0.000 2.067 255 A HA 0.161 4.481 4.320 0.000 0.000 0.219 255 A C 2.337 179.756 177.584 -0.275 0.000 1.158 255 A CA 1.323 53.151 52.037 -0.347 0.000 0.661 255 A CB -1.268 17.415 19.000 -0.528 0.000 0.801 255 A HN 0.460 nan 8.150 nan 0.000 0.452 256 A N -1.200 121.448 122.820 -0.288 0.000 2.067 256 A HA 0.223 4.543 4.320 0.000 0.000 0.217 256 A C 2.059 179.653 177.584 0.017 0.000 1.156 256 A CA 1.525 53.427 52.037 -0.226 0.000 0.683 256 A CB -0.315 18.416 19.000 -0.449 0.000 0.808 256 A HN 0.737 nan 8.150 nan 0.000 0.455 257 V N -0.829 119.122 119.914 0.060 0.000 3.212 257 V HA 0.138 4.258 4.120 0.000 0.000 0.244 257 V C -0.276 175.970 176.094 0.252 0.000 1.151 257 V CA 0.853 63.249 62.300 0.161 0.000 1.119 257 V CB 0.288 32.164 31.823 0.088 0.000 0.838 257 V HN 0.433 nan 8.190 nan 0.000 0.470 258 D N -0.140 120.374 120.400 0.191 0.000 2.317 258 D HA 0.347 4.987 4.640 0.000 0.000 0.234 258 D C -1.875 174.477 176.300 0.087 0.000 1.112 258 D CA -2.268 51.856 54.000 0.206 0.000 0.840 258 D CB 2.011 42.992 40.800 0.301 0.000 1.078 258 D HN 0.124 nan 8.370 nan 0.000 0.486 259 P HA -0.110 nan 4.420 nan 0.000 0.220 259 P C 0.689 177.952 177.300 -0.062 0.000 1.148 259 P CA 0.970 64.064 63.100 -0.009 0.000 0.803 259 P CB 0.099 31.730 31.700 -0.115 0.000 0.782 260 Y N -0.516 119.783 120.300 -0.000 0.000 2.163 260 Y HA -0.172 4.378 4.550 0.000 0.000 0.288 260 Y C 2.727 178.578 175.900 -0.080 0.000 1.136 260 Y CA 1.329 59.414 58.100 -0.026 0.000 1.147 260 Y CB -0.523 37.938 38.460 0.001 0.000 0.987 260 Y HN -0.208 nan 8.280 nan 0.000 0.509 261 R N 0.662 121.113 120.500 -0.081 0.000 2.115 261 R HA -0.027 4.313 4.340 0.000 0.000 0.226 261 R C 2.172 178.403 176.300 -0.114 0.000 1.100 261 R CA 1.197 57.113 56.100 -0.308 0.000 0.980 261 R CB -0.672 28.992 30.300 -1.060 0.000 0.875 261 R HN 0.242 nan 8.270 nan 0.000 0.445 262 A N 0.452 123.234 122.820 -0.063 0.000 1.902 262 A HA -0.054 4.266 4.320 0.000 0.000 0.217 262 A C 2.370 180.117 177.584 0.271 0.000 1.181 262 A CA 1.686 53.737 52.037 0.022 0.000 0.623 262 A CB -1.065 17.892 19.000 -0.072 0.000 0.818 262 A HN 0.473 nan 8.150 nan 0.000 0.443 263 A N -0.992 122.029 122.820 0.335 0.000 1.933 263 A HA -0.089 4.231 4.320 0.000 0.000 0.218 263 A C 2.263 179.956 177.584 0.183 0.000 1.175 263 A CA 2.308 54.512 52.037 0.279 0.000 0.628 263 A CB -1.081 17.913 19.000 -0.009 0.000 0.814 263 A HN 0.453 nan 8.150 nan 0.000 0.444 264 T N -1.688 112.943 114.554 0.129 0.000 2.896 264 T HA -0.068 4.282 4.350 0.000 0.000 0.263 264 T C 1.876 176.655 174.700 0.132 0.000 1.050 264 T CA 1.087 63.246 62.100 0.098 0.000 1.140 264 T CB -0.387 68.515 68.868 0.056 0.000 0.877 264 T HN 0.674 nan 8.240 nan 0.000 0.457 265 H N 1.816 120.916 119.070 0.049 0.000 2.357 265 H HA 0.051 4.607 4.556 0.000 0.000 0.301 265 H C 1.770 177.158 175.328 0.101 0.000 1.082 265 H CA 1.417 57.502 56.048 0.063 0.000 1.342 265 H CB -0.157 29.633 29.762 0.046 0.000 1.389 265 H HN 0.407 nan 8.280 nan 0.000 0.511 266 N N 0.237 119.112 118.700 0.293 0.000 2.331 266 N HA -0.107 4.633 4.740 0.000 0.000 0.180 266 N C 2.055 177.693 175.510 0.213 0.000 1.019 266 N CA 0.132 53.330 53.050 0.247 0.000 0.881 266 N CB 0.210 38.897 38.487 0.333 0.000 0.972 266 N HN 0.181 nan 8.380 nan 0.000 0.435 267 K N 1.463 121.988 120.400 0.208 0.000 2.097 267 K HA -0.048 4.272 4.320 0.000 0.000 0.205 267 K C 1.916 178.564 176.600 0.081 0.000 1.050 267 K CA 1.083 57.466 56.287 0.160 0.000 0.938 267 K CB -0.346 32.222 32.500 0.114 0.000 0.718 267 K HN 0.182 nan 8.250 nan 0.000 0.442 268 G N 1.420 110.244 108.800 0.040 0.000 2.422 268 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 268 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 268 G C 1.673 176.573 174.900 0.000 0.000 1.140 268 G CA 0.538 45.638 45.100 0.001 0.000 0.775 268 G HN 0.289 nan 8.290 nan 0.000 0.545 269 I N 0.651 121.220 120.570 -0.002 0.000 2.315 269 I HA -0.106 4.064 4.170 0.000 0.000 0.248 269 I C 2.409 178.532 176.117 0.009 0.000 1.117 269 I CA 0.714 62.018 61.300 0.007 0.000 1.404 269 I CB -0.138 37.871 38.000 0.015 0.000 1.071 269 I HN 0.106 nan 8.210 nan 0.000 0.419 270 M N -0.189 119.426 119.600 0.024 0.000 2.562 270 M HA -0.067 4.413 4.480 0.000 0.000 0.257 270 M C 1.605 177.909 176.300 0.007 0.000 1.099 270 M CA 1.138 56.450 55.300 0.020 0.000 1.099 270 M CB -1.720 30.919 32.600 0.065 0.000 1.427 270 M HN 0.286 nan 8.290 nan 0.000 0.489 271 N N 0.180 118.887 118.700 0.011 0.000 2.309 271 N HA -0.077 4.663 4.740 0.000 0.000 0.182 271 N C 1.774 177.275 175.510 -0.015 0.000 1.018 271 N CA 0.979 54.030 53.050 0.002 0.000 0.876 271 N CB 0.054 38.553 38.487 0.020 0.000 0.972 271 N HN 0.456 nan 8.380 nan 0.000 0.434 272 G N -0.043 108.749 108.800 -0.014 0.000 2.608 272 G HA2 0.045 4.005 3.960 0.000 0.000 0.210 272 G HA3 0.045 4.005 3.960 0.000 0.000 0.210 272 G C 1.390 176.245 174.900 -0.075 0.000 1.139 272 G CA -0.089 44.990 45.100 -0.034 0.000 0.812 272 G HN 0.113 nan 8.290 nan 0.000 0.529 273 I N 0.968 121.502 120.570 -0.061 0.000 2.193 273 I HA -0.052 4.118 4.170 0.000 0.000 0.240 273 I C 2.264 178.344 176.117 -0.062 0.000 1.084 273 I CA 0.998 62.255 61.300 -0.071 0.000 1.365 273 I CB -0.134 37.836 38.000 -0.050 0.000 1.064 273 I HN -0.009 nan 8.210 nan 0.000 0.410 274 D N 1.025 121.398 120.400 -0.046 0.000 2.106 274 D HA -0.161 4.479 4.640 0.000 0.000 0.191 274 D C -0.595 175.642 176.300 -0.104 0.000 0.997 274 D CA 1.705 55.674 54.000 -0.053 0.000 0.834 274 D CB -1.526 39.223 40.800 -0.085 0.000 0.956 274 D HN 0.219 nan 8.370 nan 0.000 0.448 275 P HA -0.110 nan 4.420 nan 0.000 0.218 275 P C 1.539 178.751 177.300 -0.147 0.000 1.148 275 P CA 0.684 63.695 63.100 -0.149 0.000 0.822 275 P CB 0.047 31.666 31.700 -0.134 0.000 0.784 276 L N -1.197 119.944 121.223 -0.137 0.000 2.141 276 L HA -0.093 4.247 4.340 0.000 0.000 0.209 276 L C 1.935 178.748 176.870 -0.095 0.000 1.094 276 L CA 1.813 56.566 54.840 -0.145 0.000 0.763 276 L CB -1.024 40.936 42.059 -0.165 0.000 0.908 276 L HN -0.135 nan 8.230 nan 0.000 0.437 277 I N -1.170 119.368 120.570 -0.054 0.000 2.233 277 I HA -0.183 3.987 4.170 0.000 0.000 0.243 277 I C 2.515 178.655 176.117 0.037 0.000 1.093 277 I CA 1.091 62.396 61.300 0.007 0.000 1.380 277 I CB -1.176 36.864 38.000 0.067 0.000 1.067 277 I HN 0.083 nan 8.210 nan 0.000 0.413 278 V N 1.591 121.518 119.914 0.021 0.000 2.392 278 V HA -0.263 3.857 4.120 0.000 0.000 0.249 278 V C 2.860 178.944 176.094 -0.016 0.000 1.059 278 V CA 1.809 64.129 62.300 0.034 0.000 1.051 278 V CB -1.128 30.635 31.823 -0.101 0.000 0.658 278 V HN 0.450 nan 8.190 nan 0.000 0.455 279 A N 0.787 123.565 122.820 -0.070 0.000 1.877 279 A HA -0.216 4.104 4.320 0.000 0.000 0.216 279 A C 2.372 179.932 177.584 -0.040 0.000 1.186 279 A CA 2.376 54.367 52.037 -0.077 0.000 0.620 279 A CB -0.993 17.896 19.000 -0.186 0.000 0.822 279 A HN 0.630 nan 8.150 nan 0.000 0.443 280 T N -3.401 111.132 114.554 -0.036 0.000 3.160 280 T HA 0.362 4.712 4.350 0.000 0.000 0.257 280 T C 1.273 175.970 174.700 -0.004 0.000 1.147 280 T CA 0.988 63.077 62.100 -0.018 0.000 1.064 280 T CB -0.471 68.382 68.868 -0.024 0.000 0.949 280 T HN 1.761 nan 8.240 nan 0.000 0.526 281 G N 1.458 110.256 108.800 -0.004 0.000 2.221 281 G HA2 -0.248 3.712 3.960 0.000 0.000 0.265 281 G HA3 -0.248 3.712 3.960 0.000 0.000 0.265 281 G C -0.098 174.831 174.900 0.047 0.000 1.041 281 G CA -0.126 44.988 45.100 0.023 0.000 0.807 281 G HN 0.608 nan 8.290 nan 0.000 0.502 282 N N 0.099 118.833 118.700 0.056 0.000 2.482 282 N HA 0.277 5.017 4.740 0.000 0.000 0.279 282 N C -0.534 175.021 175.510 0.075 0.000 1.182 282 N CA -0.568 52.510 53.050 0.047 0.000 0.969 282 N CB 0.847 39.351 38.487 0.029 0.000 1.201 282 N HN 0.176 nan 8.380 nan 0.000 0.523 283 D N 1.251 121.661 120.400 0.016 0.000 2.349 283 D HA -0.052 4.588 4.640 0.000 0.000 0.266 283 D C 0.975 177.289 176.300 0.023 0.000 1.293 283 D CA -0.163 53.806 54.000 -0.052 0.000 0.926 283 D CB 0.290 41.036 40.800 -0.091 0.000 1.090 283 D HN 0.541 nan 8.370 nan 0.000 0.502 284 W N 5.178 126.470 121.300 -0.012 0.000 2.467 284 W HA 0.027 4.687 4.660 0.000 0.000 0.275 284 W C 1.590 178.110 176.519 0.002 0.000 1.239 284 W CA 0.134 57.473 57.345 -0.010 0.000 1.266 284 W CB -0.310 29.144 29.460 -0.010 0.000 1.112 284 W HN 0.267 nan 8.180 nan 0.000 0.576 285 R N 1.052 121.386 120.500 -0.277 0.000 2.092 285 R HA 0.001 4.341 4.340 0.000 0.000 0.231 285 R C 2.637 178.918 176.300 -0.031 0.000 1.119 285 R CA 1.904 57.916 56.100 -0.147 0.000 0.970 285 R CB -0.951 29.166 30.300 -0.305 0.000 0.864 285 R HN 0.294 nan 8.270 nan 0.000 0.440 286 A N 0.432 123.220 122.820 -0.054 0.000 1.933 286 A HA -0.113 4.207 4.320 0.000 0.000 0.218 286 A C 2.270 179.864 177.584 0.017 0.000 1.175 286 A CA 1.464 53.490 52.037 -0.018 0.000 0.628 286 A CB -0.497 18.485 19.000 -0.030 0.000 0.814 286 A HN 0.121 nan 8.150 nan 0.000 0.444 287 V N 0.165 120.102 119.914 0.037 0.000 2.307 287 V HA -0.190 3.930 4.120 0.000 0.000 0.245 287 V C 2.513 178.632 176.094 0.043 0.000 1.045 287 V CA 1.959 64.279 62.300 0.035 0.000 1.024 287 V CB -0.736 31.116 31.823 0.049 0.000 0.651 287 V HN 0.517 nan 8.190 nan 0.000 0.449 288 E N 0.553 120.814 120.200 0.102 0.000 2.077 288 E HA -0.208 4.142 4.350 0.000 0.000 0.193 288 E C 2.380 179.078 176.600 0.163 0.000 0.989 288 E CA 1.564 58.050 56.400 0.143 0.000 0.800 288 E CB -0.443 29.411 29.700 0.256 0.000 0.746 288 E HN 0.569 nan 8.360 nan 0.000 0.452 289 A N 1.097 123.994 122.820 0.127 0.000 1.902 289 A HA -0.085 4.235 4.320 0.000 0.000 0.217 289 A C 2.484 180.132 177.584 0.106 0.000 1.181 289 A CA 1.902 54.010 52.037 0.119 0.000 0.623 289 A CB -0.987 18.053 19.000 0.067 0.000 0.818 289 A HN 0.340 nan 8.150 nan 0.000 0.443 290 G N -0.960 107.880 108.800 0.066 0.000 2.448 290 G HA2 0.124 4.084 3.960 0.000 0.000 0.218 290 G HA3 0.124 4.084 3.960 0.000 0.000 0.218 290 G C 1.598 176.532 174.900 0.057 0.000 1.135 290 G CA 1.287 46.422 45.100 0.058 0.000 0.784 290 G HN 0.732 nan 8.290 nan 0.000 0.543 291 A N 0.819 123.641 122.820 0.004 0.000 1.840 291 A HA 0.052 4.372 4.320 0.000 0.000 0.214 291 A C 2.051 179.636 177.584 0.002 0.000 1.198 291 A CA 1.647 53.647 52.037 -0.061 0.000 0.608 291 A CB -0.758 18.110 19.000 -0.220 0.000 0.839 291 A HN 0.440 nan 8.150 nan 0.000 0.443 292 H N -0.385 118.795 119.070 0.183 0.000 2.387 292 H HA 0.059 4.615 4.556 0.000 0.000 0.299 292 H C 2.348 177.832 175.328 0.261 0.000 1.090 292 H CA 1.321 57.532 56.048 0.272 0.000 1.332 292 H CB -0.024 29.882 29.762 0.240 0.000 1.386 292 H HN 0.528 nan 8.280 nan 0.000 0.516 293 A N 0.198 123.187 122.820 0.282 0.000 1.969 293 A HA -0.201 4.119 4.320 0.000 0.000 0.218 293 A C 2.013 179.720 177.584 0.204 0.000 1.169 293 A CA 1.242 53.407 52.037 0.213 0.000 0.635 293 A CB -0.756 18.342 19.000 0.164 0.000 0.810 293 A HN 0.533 nan 8.150 nan 0.000 0.445 294 Y N 0.550 120.893 120.300 0.071 0.000 2.242 294 Y HA -0.001 4.549 4.550 0.000 0.000 0.291 294 Y C 2.544 178.453 175.900 0.015 0.000 1.137 294 Y CA 0.910 59.033 58.100 0.038 0.000 1.181 294 Y CB -0.362 38.108 38.460 0.016 0.000 0.989 294 Y HN 0.297 nan 8.280 nan 0.000 0.527 295 A N -1.665 121.200 122.820 0.075 0.000 2.121 295 A HA -0.196 4.124 4.320 0.000 0.000 0.218 295 A C 2.004 179.503 177.584 -0.142 0.000 1.154 295 A CA 1.393 53.357 52.037 -0.121 0.000 0.679 295 A CB -1.370 17.471 19.000 -0.266 0.000 0.795 295 A HN 0.594 nan 8.150 nan 0.000 0.458 296 C N 0.701 120.014 119.300 0.022 0.000 2.589 296 C HA 0.312 4.772 4.460 0.000 0.000 0.307 296 C C 2.416 177.414 174.990 0.013 0.000 1.328 296 C CA 0.031 59.093 59.018 0.074 0.000 1.742 296 C CB -1.843 26.019 27.740 0.203 0.000 2.037 296 C HN 0.720 nan 8.230 nan 0.000 0.592 297 R N 0.922 121.378 120.500 -0.074 0.000 2.090 297 R HA -0.029 4.311 4.340 0.000 0.000 0.228 297 R C 1.512 177.780 176.300 -0.053 0.000 1.110 297 R CA 1.990 58.038 56.100 -0.087 0.000 0.973 297 R CB -0.847 29.324 30.300 -0.215 0.000 0.869 297 R HN 0.570 nan 8.270 nan 0.000 0.440 298 S N -0.056 115.615 115.700 -0.049 0.000 2.840 298 S HA 0.251 4.721 4.470 0.000 0.000 0.235 298 S C 1.093 175.716 174.600 0.038 0.000 0.968 298 S CA -0.105 58.089 58.200 -0.010 0.000 1.026 298 S CB 0.221 63.415 63.200 -0.009 0.000 0.788 298 S HN 0.693 nan 8.310 nan 0.000 0.487 299 G N 1.177 110.004 108.800 0.045 0.000 2.179 299 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 299 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 299 G C -0.123 174.866 174.900 0.147 0.000 1.010 299 G CA 0.461 45.603 45.100 0.071 0.000 0.736 299 G HN 0.903 nan 8.290 nan 0.000 0.513 300 H N -1.917 117.163 119.070 0.018 0.000 3.154 300 H HA 0.289 4.845 4.556 0.000 0.000 0.330 300 H C -1.198 174.162 175.328 0.054 0.000 1.033 300 H CA -0.788 55.280 56.048 0.033 0.000 1.393 300 H CB 1.031 30.797 29.762 0.006 0.000 1.951 300 H HN 0.143 nan 8.280 nan 0.000 0.466 301 Y N 4.312 124.336 120.300 -0.462 0.000 2.544 301 Y HA 0.375 4.925 4.550 0.000 0.000 0.330 301 Y C 0.189 175.778 175.900 -0.517 0.000 1.136 301 Y CA 1.652 59.530 58.100 -0.370 0.000 1.417 301 Y CB 0.434 38.738 38.460 -0.260 0.000 1.229 301 Y HN 0.746 nan 8.280 nan 0.000 0.532 302 G N 2.543 110.916 108.800 -0.712 0.000 2.827 302 G HA2 0.356 4.316 3.960 0.000 0.000 0.296 302 G HA3 0.356 4.316 3.960 0.000 0.000 0.296 302 G C -1.289 173.363 174.900 -0.412 0.000 1.362 302 G CA -1.027 43.794 45.100 -0.465 0.000 0.809 302 G HN 0.520 nan 8.290 nan 0.000 0.522 303 S N -0.623 114.951 115.700 -0.211 0.000 2.560 303 S HA 0.153 4.623 4.470 0.000 0.000 0.284 303 S C 1.480 176.101 174.600 0.036 0.000 1.327 303 S CA -0.372 57.788 58.200 -0.067 0.000 1.055 303 S CB 0.759 63.974 63.200 0.026 0.000 0.868 303 S HN 0.391 nan 8.310 nan 0.000 0.506 304 L N 1.994 123.290 121.223 0.123 0.000 2.249 304 L HA 0.064 4.404 4.340 0.000 0.000 0.207 304 L C 1.377 178.313 176.870 0.111 0.000 1.090 304 L CA 0.523 55.427 54.840 0.107 0.000 0.802 304 L CB -0.168 41.945 42.059 0.090 0.000 0.947 304 L HN 0.672 nan 8.230 nan 0.000 0.453 305 T N -2.349 112.312 114.554 0.179 0.000 2.934 305 T HA 0.467 4.817 4.350 0.000 0.000 0.283 305 T C 0.009 174.672 174.700 -0.063 0.000 1.005 305 T CA -0.563 61.563 62.100 0.043 0.000 1.041 305 T CB 1.807 70.764 68.868 0.148 0.000 1.042 305 T HN 0.130 nan 8.240 nan 0.000 0.505 306 T N -0.984 113.295 114.554 -0.458 0.000 2.887 306 T HA 0.657 5.007 4.350 0.000 0.000 0.288 306 T C -1.684 172.303 174.700 -1.187 0.000 1.021 306 T CA -0.970 60.699 62.100 -0.718 0.000 1.000 306 T CB 1.058 69.698 68.868 -0.380 0.000 1.034 306 T HN 0.803 nan 8.240 nan 0.000 0.467 307 W N 1.119 121.806 121.300 -1.021 0.000 2.647 307 W HA 0.580 5.240 4.660 0.000 0.000 0.328 307 W C -0.143 176.192 176.519 -0.307 0.000 1.018 307 W CA -0.538 56.503 57.345 -0.507 0.000 1.245 307 W CB 1.678 30.936 29.460 -0.337 0.000 1.356 307 W HN 0.786 nan 8.180 nan 0.000 0.443 308 E N 1.377 121.592 120.200 0.025 0.000 2.378 308 E HA 0.468 4.818 4.350 0.000 0.000 0.265 308 E C -1.204 175.457 176.600 0.103 0.000 0.932 308 E CA -1.522 54.918 56.400 0.066 0.000 0.795 308 E CB 2.675 32.378 29.700 0.006 0.000 1.296 308 E HN 0.147 nan 8.360 nan 0.000 0.438 309 K N 2.463 122.916 120.400 0.088 0.000 2.527 309 K HA 0.103 4.423 4.320 0.000 0.000 0.240 309 K C -0.980 175.645 176.600 0.043 0.000 0.989 309 K CA -0.613 55.721 56.287 0.078 0.000 0.985 309 K CB 0.444 32.992 32.500 0.079 0.000 1.221 309 K HN 0.501 nan 8.250 nan 0.000 0.458 310 D N 2.822 123.240 120.400 0.030 0.000 2.364 310 D HA -0.151 4.489 4.640 0.000 0.000 0.236 310 D C 0.751 177.035 176.300 -0.026 0.000 1.221 310 D CA 0.060 54.060 54.000 0.000 0.000 0.891 310 D CB 0.582 41.379 40.800 -0.004 0.000 1.190 310 D HN 0.656 nan 8.370 nan 0.000 0.449 311 N N 0.492 119.174 118.700 -0.030 0.000 2.635 311 N HA -0.222 4.518 4.740 0.000 0.000 0.191 311 N C 0.712 176.178 175.510 -0.074 0.000 1.155 311 N CA 0.256 53.283 53.050 -0.038 0.000 0.927 311 N CB -0.350 38.121 38.487 -0.026 0.000 0.976 311 N HN 0.532 nan 8.380 nan 0.000 0.448 312 N N 0.207 118.833 118.700 -0.124 0.000 2.356 312 N HA -0.001 4.739 4.740 0.000 0.000 0.178 312 N C 0.931 176.242 175.510 -0.332 0.000 1.075 312 N CA 0.776 53.683 53.050 -0.239 0.000 0.889 312 N CB 0.390 38.691 38.487 -0.310 0.000 0.999 312 N HN 0.422 nan 8.380 nan 0.000 0.464 313 G N 0.379 109.060 108.800 -0.200 0.000 2.179 313 G HA2 -0.192 3.768 3.960 0.000 0.000 0.220 313 G HA3 -0.192 3.768 3.960 0.000 0.000 0.220 313 G C -0.356 174.547 174.900 0.005 0.000 0.990 313 G CA -0.113 44.924 45.100 -0.104 0.000 0.646 313 G HN 0.563 nan 8.290 nan 0.000 0.517 314 H N -0.641 118.439 119.070 0.016 0.000 2.481 314 H HA 0.545 5.101 4.556 0.000 0.000 0.339 314 H C 0.107 175.458 175.328 0.037 0.000 1.131 314 H CA -0.980 55.079 56.048 0.017 0.000 1.301 314 H CB 1.948 31.712 29.762 0.003 0.000 1.476 314 H HN 0.178 nan 8.280 nan 0.000 0.529 315 L N 4.033 125.368 121.223 0.187 0.000 2.361 315 L HA 0.159 4.499 4.340 0.000 0.000 0.278 315 L C -0.596 176.386 176.870 0.187 0.000 1.113 315 L CA -0.241 54.710 54.840 0.185 0.000 0.849 315 L CB 0.173 42.333 42.059 0.168 0.000 1.155 315 L HN 0.462 nan 8.230 nan 0.000 0.452 316 V N 2.961 122.965 119.914 0.150 0.000 2.448 316 V HA 1.027 5.147 4.120 0.000 0.000 0.295 316 V C 0.181 176.170 176.094 -0.174 0.000 1.025 316 V CA -0.046 62.264 62.300 0.016 0.000 0.859 316 V CB 0.870 32.682 31.823 -0.019 0.000 0.988 316 V HN 0.896 nan 8.190 nan 0.000 0.431 317 G N 2.398 110.922 108.800 -0.460 0.000 2.533 317 G HA2 0.860 4.820 3.960 0.000 0.000 0.304 317 G HA3 0.860 4.820 3.960 0.000 0.000 0.304 317 G C -0.529 173.958 174.900 -0.689 0.000 1.263 317 G CA -0.163 44.236 45.100 -1.167 0.000 0.964 317 G HN 1.405 nan 8.290 nan 0.000 0.479 318 T N -2.157 111.997 114.554 -0.666 0.000 2.883 318 T HA 0.674 5.024 4.350 0.000 0.000 0.301 318 T C -1.678 172.869 174.700 -0.255 0.000 1.158 318 T CA -0.773 61.128 62.100 -0.332 0.000 1.007 318 T CB 1.970 70.709 68.868 -0.215 0.000 1.186 318 T HN 1.191 nan 8.240 nan 0.000 0.499 319 L N 0.981 122.131 121.223 -0.122 0.000 2.541 319 L HA 0.686 5.026 4.340 0.000 0.000 0.266 319 L C -1.019 175.829 176.870 -0.036 0.000 0.966 319 L CA -0.338 54.467 54.840 -0.058 0.000 0.871 319 L CB 1.689 43.733 42.059 -0.026 0.000 1.232 319 L HN 1.008 nan 8.230 nan 0.000 0.408 320 E N 6.544 126.737 120.200 -0.012 0.000 2.224 320 E HA 0.794 5.144 4.350 0.000 0.000 0.265 320 E C -1.379 175.192 176.600 -0.048 0.000 0.878 320 E CA -0.588 55.801 56.400 -0.018 0.000 0.759 320 E CB 1.349 31.066 29.700 0.028 0.000 1.164 320 E HN 0.758 nan 8.360 nan 0.000 0.414 321 M N 1.347 120.828 119.600 -0.199 0.000 2.694 321 M HA 0.493 4.973 4.480 0.000 0.000 0.276 321 M C -2.967 173.094 176.300 -0.399 0.000 1.167 321 M CA -2.121 52.939 55.300 -0.399 0.000 0.849 321 M CB 1.833 34.328 32.600 -0.175 0.000 1.705 321 M HN 0.052 nan 8.290 nan 0.000 0.504 322 P HA 0.212 nan 4.420 nan 0.000 0.265 322 P C -0.944 176.257 177.300 -0.166 0.000 1.193 322 P CA 0.142 63.069 63.100 -0.288 0.000 0.765 322 P CB 0.343 31.902 31.700 -0.235 0.000 0.823 323 M N 4.856 124.382 119.600 -0.123 0.000 2.067 323 M HA 0.225 4.705 4.480 0.000 0.000 0.214 323 M C -2.524 173.738 176.300 -0.064 0.000 0.891 323 M CA -2.233 53.015 55.300 -0.086 0.000 0.697 323 M CB 1.523 34.071 32.600 -0.085 0.000 1.616 323 M HN 0.074 nan 8.290 nan 0.000 0.354 324 P HA 0.217 nan 4.420 nan 0.000 0.238 324 P C -0.197 177.087 177.300 -0.027 0.000 1.794 324 P CA 0.050 63.129 63.100 -0.036 0.000 1.088 324 P CB 1.031 32.717 31.700 -0.025 0.000 1.923 325 V N 2.376 122.271 119.914 -0.031 0.000 3.177 325 V HA 0.942 5.062 4.120 0.000 0.000 0.319 325 V C 0.100 176.181 176.094 -0.022 0.000 1.125 325 V CA -0.495 61.790 62.300 -0.024 0.000 1.029 325 V CB 2.093 33.897 31.823 -0.031 0.000 1.119 325 V HN 0.566 nan 8.190 nan 0.000 0.452 326 G N 0.789 109.579 108.800 -0.017 0.000 2.682 326 G HA2 0.539 4.499 3.960 0.000 0.000 0.290 326 G HA3 0.539 4.499 3.960 0.000 0.000 0.290 326 G C -0.738 174.155 174.900 -0.011 0.000 1.425 326 G CA -0.320 44.771 45.100 -0.014 0.000 0.807 326 G HN 0.718 nan 8.290 nan 0.000 0.482 327 L N -0.471 120.746 121.223 -0.009 0.000 2.806 327 L HA 0.162 4.502 4.340 0.000 0.000 0.242 327 L C 1.831 178.701 176.870 -0.000 0.000 1.068 327 L CA 0.396 55.232 54.840 -0.006 0.000 0.923 327 L CB 0.885 42.938 42.059 -0.009 0.000 1.364 327 L HN 0.443 nan 8.230 nan 0.000 0.511 328 V N -2.683 117.230 119.914 -0.001 0.000 3.177 328 V HA 0.456 4.576 4.120 0.000 0.000 0.342 328 V C 1.065 177.161 176.094 0.002 0.000 1.379 328 V CA -0.119 62.182 62.300 0.001 0.000 1.191 328 V CB -0.772 31.050 31.823 -0.001 0.000 1.167 328 V HN 0.151 nan 8.190 nan 0.000 0.471 329 G N 0.921 109.723 108.800 0.003 0.000 2.466 329 G HA2 0.383 4.343 3.960 0.000 0.000 0.279 329 G HA3 0.383 4.343 3.960 0.000 0.000 0.279 329 G C 0.920 175.825 174.900 0.009 0.000 1.410 329 G CA 0.209 45.311 45.100 0.003 0.000 1.065 329 G HN 0.569 nan 8.290 nan 0.000 0.547 330 G N -0.516 108.289 108.800 0.009 0.000 2.624 330 G HA2 0.222 4.182 3.960 0.000 0.000 0.216 330 G HA3 0.222 4.182 3.960 0.000 0.000 0.216 330 G C 1.887 176.804 174.900 0.029 0.000 1.274 330 G CA 1.432 46.540 45.100 0.014 0.000 0.856 330 G HN 1.037 nan 8.290 nan 0.000 0.555 331 A N 0.035 122.878 122.820 0.038 0.000 2.248 331 A HA 0.177 4.497 4.320 0.000 0.000 0.210 331 A C 2.292 179.926 177.584 0.083 0.000 1.174 331 A CA 2.035 54.115 52.037 0.072 0.000 0.750 331 A CB -0.573 18.476 19.000 0.081 0.000 0.780 331 A HN 0.331 nan 8.150 nan 0.000 0.478 332 T N -0.350 114.235 114.554 0.053 0.000 2.851 332 T HA -0.026 4.324 4.350 0.000 0.000 0.262 332 T C 1.820 176.551 174.700 0.051 0.000 1.043 332 T CA 1.062 63.190 62.100 0.045 0.000 1.140 332 T CB -0.013 68.870 68.868 0.025 0.000 0.872 332 T HN 0.306 nan 8.240 nan 0.000 0.446 333 K N 0.894 121.320 120.400 0.042 0.000 2.361 333 K HA 0.153 4.473 4.320 0.000 0.000 0.196 333 K C 2.246 178.873 176.600 0.046 0.000 1.039 333 K CA 0.677 56.986 56.287 0.037 0.000 1.001 333 K CB -0.220 32.293 32.500 0.022 0.000 0.795 333 K HN 0.317 nan 8.250 nan 0.000 0.495 334 T N -0.180 114.410 114.554 0.060 0.000 2.852 334 T HA -0.073 4.277 4.350 0.000 0.000 0.256 334 T C 0.829 175.579 174.700 0.083 0.000 1.038 334 T CA 0.594 62.729 62.100 0.057 0.000 1.141 334 T CB -0.203 68.697 68.868 0.053 0.000 0.869 334 T HN 0.170 nan 8.240 nan 0.000 0.439 335 H N 2.906 121.992 119.070 0.025 0.000 2.819 335 H HA 0.158 4.714 4.556 0.000 0.000 0.303 335 H C -1.968 173.375 175.328 0.025 0.000 1.058 335 H CA -2.394 53.673 56.048 0.031 0.000 1.471 335 H CB 1.433 31.224 29.762 0.049 0.000 1.480 335 H HN -0.030 nan 8.280 nan 0.000 0.517 336 P HA -0.171 nan 4.420 nan 0.000 0.217 336 P C 1.572 178.987 177.300 0.192 0.000 1.151 336 P CA 1.250 64.427 63.100 0.129 0.000 0.849 336 P CB 0.324 32.038 31.700 0.024 0.000 0.787 337 L N -1.871 119.580 121.223 0.380 0.000 2.209 337 L HA 0.016 4.356 4.340 0.000 0.000 0.207 337 L C 2.445 179.368 176.870 0.088 0.000 1.094 337 L CA 0.954 55.890 54.840 0.160 0.000 0.790 337 L CB -1.000 41.133 42.059 0.122 0.000 0.932 337 L HN -0.081 nan 8.230 nan 0.000 0.447 338 A N -0.225 122.616 122.820 0.034 0.000 1.933 338 A HA -0.273 4.047 4.320 0.000 0.000 0.218 338 A C 2.219 179.832 177.584 0.048 0.000 1.175 338 A CA 1.756 53.796 52.037 0.005 0.000 0.628 338 A CB -0.414 18.583 19.000 -0.005 0.000 0.814 338 A HN 0.344 nan 8.150 nan 0.000 0.444 339 Q N -0.791 119.052 119.800 0.071 0.000 2.079 339 Q HA -0.095 4.245 4.340 0.000 0.000 0.200 339 Q C 1.881 177.906 176.000 0.042 0.000 0.974 339 Q CA 1.596 57.429 55.803 0.050 0.000 0.840 339 Q CB -0.449 28.319 28.738 0.051 0.000 0.898 339 Q HN 0.545 nan 8.270 nan 0.000 0.430 340 L N -0.271 120.981 121.223 0.050 0.000 2.201 340 L HA -0.034 4.306 4.340 0.000 0.000 0.212 340 L C 1.885 178.794 176.870 0.064 0.000 1.105 340 L CA 1.569 56.434 54.840 0.041 0.000 0.775 340 L CB -0.558 41.514 42.059 0.022 0.000 0.913 340 L HN 0.082 nan 8.230 nan 0.000 0.440 341 S N -0.461 115.294 115.700 0.090 0.000 2.368 341 S HA -0.077 4.393 4.470 0.000 0.000 0.224 341 S C 1.845 176.466 174.600 0.035 0.000 1.029 341 S CA 1.482 59.741 58.200 0.099 0.000 0.988 341 S CB -0.353 62.902 63.200 0.093 0.000 0.838 341 S HN 0.485 nan 8.310 nan 0.000 0.462 342 L N 0.862 122.098 121.223 0.021 0.000 2.201 342 L HA -0.006 4.334 4.340 0.000 0.000 0.212 342 L C 2.592 179.464 176.870 0.002 0.000 1.105 342 L CA 0.950 55.791 54.840 0.002 0.000 0.775 342 L CB -0.378 41.682 42.059 0.002 0.000 0.913 342 L HN 0.218 nan 8.230 nan 0.000 0.440 343 R N 0.676 121.184 120.500 0.012 0.000 2.115 343 R HA -0.064 4.276 4.340 0.000 0.000 0.226 343 R C 2.219 178.524 176.300 0.007 0.000 1.100 343 R CA 1.034 57.139 56.100 0.008 0.000 0.980 343 R CB -0.006 30.300 30.300 0.010 0.000 0.875 343 R HN 0.313 nan 8.270 nan 0.000 0.445 344 I N 0.392 120.972 120.570 0.017 0.000 2.406 344 I HA -0.218 3.952 4.170 0.000 0.000 0.249 344 I C 1.926 178.038 176.117 -0.007 0.000 1.122 344 I CA 0.810 62.119 61.300 0.014 0.000 1.431 344 I CB -0.070 37.956 38.000 0.045 0.000 1.087 344 I HN 0.211 nan 8.210 nan 0.000 0.424 345 L N 0.577 121.789 121.223 -0.017 0.000 2.093 345 L HA -0.049 4.291 4.340 0.000 0.000 0.208 345 L C 1.742 178.595 176.870 -0.029 0.000 1.085 345 L CA 1.194 56.012 54.840 -0.038 0.000 0.755 345 L CB -0.739 41.289 42.059 -0.051 0.000 0.904 345 L HN 0.517 nan 8.230 nan 0.000 0.435 346 G N 0.239 109.028 108.800 -0.019 0.000 2.143 346 G HA2 -0.253 3.707 3.960 0.000 0.000 0.248 346 G HA3 -0.253 3.707 3.960 0.000 0.000 0.248 346 G C 0.354 175.243 174.900 -0.017 0.000 0.991 346 G CA 0.242 45.333 45.100 -0.015 0.000 0.689 346 G HN 0.303 nan 8.290 nan 0.000 0.522 347 V N -2.672 117.229 119.914 -0.022 0.000 2.715 347 V HA 0.714 4.834 4.120 0.000 0.000 0.299 347 V C 1.169 177.252 176.094 -0.017 0.000 1.054 347 V CA 0.075 62.361 62.300 -0.024 0.000 1.077 347 V CB 1.574 33.378 31.823 -0.032 0.000 0.972 347 V HN 0.044 nan 8.190 nan 0.000 0.484 348 K N 1.952 122.342 120.400 -0.016 0.000 2.365 348 K HA 0.212 4.532 4.320 0.000 0.000 0.195 348 K C 0.821 177.413 176.600 -0.014 0.000 1.079 348 K CA 1.068 57.347 56.287 -0.013 0.000 0.979 348 K CB 0.605 33.098 32.500 -0.011 0.000 0.929 348 K HN 0.999 nan 8.250 nan 0.000 0.523 349 T N -3.085 111.459 114.554 -0.017 0.000 2.916 349 T HA 0.622 4.972 4.350 0.000 0.000 0.292 349 T C 1.120 175.806 174.700 -0.023 0.000 1.064 349 T CA -0.338 61.751 62.100 -0.018 0.000 1.011 349 T CB 2.101 70.958 68.868 -0.018 0.000 1.152 349 T HN -0.065 nan 8.240 nan 0.000 0.510 350 A N 0.502 123.308 122.820 -0.024 0.000 1.933 350 A HA -0.076 4.245 4.320 0.000 0.000 0.218 350 A C 2.226 179.789 177.584 -0.035 0.000 1.175 350 A CA 1.098 53.118 52.037 -0.028 0.000 0.628 350 A CB -0.880 18.104 19.000 -0.027 0.000 0.814 350 A HN 0.735 nan 8.150 nan 0.000 0.444 351 Q N -0.303 119.477 119.800 -0.033 0.000 2.291 351 Q HA -0.058 4.282 4.340 0.000 0.000 0.206 351 Q C 2.223 178.200 176.000 -0.039 0.000 0.976 351 Q CA 1.382 57.163 55.803 -0.037 0.000 0.875 351 Q CB -0.837 27.881 28.738 -0.032 0.000 0.927 351 Q HN 0.689 nan 8.270 nan 0.000 0.450 352 A N 0.467 123.266 122.820 -0.035 0.000 1.897 352 A HA -0.114 4.206 4.320 0.000 0.000 0.215 352 A C 2.064 179.617 177.584 -0.051 0.000 1.181 352 A CA 1.023 53.038 52.037 -0.037 0.000 0.620 352 A CB -0.485 18.497 19.000 -0.031 0.000 0.821 352 A HN 0.326 nan 8.150 nan 0.000 0.443 353 L N -0.215 120.976 121.223 -0.052 0.000 2.093 353 L HA -0.003 4.337 4.340 0.000 0.000 0.208 353 L C 2.634 179.458 176.870 -0.077 0.000 1.085 353 L CA 2.035 56.836 54.840 -0.066 0.000 0.755 353 L CB -0.848 41.179 42.059 -0.053 0.000 0.904 353 L HN 0.338 nan 8.230 nan 0.000 0.435 354 A N -0.903 121.878 122.820 -0.066 0.000 1.898 354 A HA -0.197 4.123 4.320 0.000 0.000 0.216 354 A C 2.154 179.692 177.584 -0.078 0.000 1.181 354 A CA 1.617 53.612 52.037 -0.071 0.000 0.620 354 A CB -0.564 18.398 19.000 -0.064 0.000 0.819 354 A HN 0.576 nan 8.150 nan 0.000 0.442 355 E N -0.339 119.821 120.200 -0.068 0.000 2.110 355 E HA -0.154 4.196 4.350 0.000 0.000 0.193 355 E C 1.837 178.383 176.600 -0.090 0.000 0.988 355 E CA 1.223 57.586 56.400 -0.062 0.000 0.804 355 E CB -0.268 29.408 29.700 -0.040 0.000 0.745 355 E HN 0.713 nan 8.360 nan 0.000 0.458 356 I N 0.896 121.397 120.570 -0.116 0.000 2.286 356 I HA -0.211 3.959 4.170 0.000 0.000 0.245 356 I C 2.571 178.547 176.117 -0.234 0.000 1.104 356 I CA 0.681 61.869 61.300 -0.188 0.000 1.397 356 I CB -0.309 37.576 38.000 -0.193 0.000 1.072 356 I HN 0.067 nan 8.210 nan 0.000 0.417 357 A N 1.043 123.758 122.820 -0.175 0.000 1.892 357 A HA -0.215 4.105 4.320 0.000 0.000 0.218 357 A C 2.397 179.892 177.584 -0.147 0.000 1.188 357 A CA 2.493 54.432 52.037 -0.163 0.000 0.631 357 A CB -1.198 17.734 19.000 -0.114 0.000 0.822 357 A HN 0.368 nan 8.150 nan 0.000 0.447 358 V N -2.472 117.373 119.914 -0.116 0.000 2.626 358 V HA 0.007 4.127 4.120 0.000 0.000 0.252 358 V C 2.516 178.559 176.094 -0.086 0.000 1.067 358 V CA 1.649 63.899 62.300 -0.084 0.000 1.081 358 V CB -1.547 30.239 31.823 -0.062 0.000 0.686 358 V HN 0.535 nan 8.190 nan 0.000 0.468 359 A N 0.745 123.473 122.820 -0.154 0.000 1.898 359 A HA -0.064 4.256 4.320 0.000 0.000 0.216 359 A C 2.369 179.772 177.584 -0.303 0.000 1.181 359 A CA 2.136 54.011 52.037 -0.270 0.000 0.620 359 A CB -0.842 17.913 19.000 -0.409 0.000 0.819 359 A HN 0.438 nan 8.150 nan 0.000 0.442 360 V N 0.033 119.756 119.914 -0.318 0.000 2.343 360 V HA -0.172 3.948 4.120 0.000 0.000 0.247 360 V C 2.821 178.900 176.094 -0.025 0.000 1.051 360 V CA 1.900 64.062 62.300 -0.229 0.000 1.036 360 V CB -1.569 30.014 31.823 -0.399 0.000 0.654 360 V HN 0.601 nan 8.190 nan 0.000 0.451 361 G N 0.124 108.895 108.800 -0.048 0.000 2.459 361 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 361 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 361 G C 1.586 176.532 174.900 0.076 0.000 1.183 361 G CA 1.240 46.343 45.100 0.006 0.000 0.776 361 G HN 0.432 nan 8.290 nan 0.000 0.552 362 L N 1.539 122.823 121.223 0.101 0.000 2.012 362 L HA 0.058 4.398 4.340 0.000 0.000 0.210 362 L C 3.051 180.118 176.870 0.328 0.000 1.073 362 L CA 2.315 57.281 54.840 0.210 0.000 0.748 362 L CB -0.868 41.321 42.059 0.218 0.000 0.891 362 L HN 0.252 nan 8.230 nan 0.000 0.431 363 A N -1.203 121.818 122.820 0.336 0.000 1.902 363 A HA -0.276 4.044 4.320 0.000 0.000 0.217 363 A C 2.274 179.993 177.584 0.225 0.000 1.181 363 A CA 1.745 54.004 52.037 0.370 0.000 0.623 363 A CB -0.704 18.523 19.000 0.379 0.000 0.818 363 A HN 0.582 nan 8.150 nan 0.000 0.443 364 Q N 0.469 120.373 119.800 0.174 0.000 2.084 364 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 364 Q C 1.982 178.023 176.000 0.069 0.000 0.978 364 Q CA 2.093 57.962 55.803 0.109 0.000 0.844 364 Q CB -0.469 28.313 28.738 0.074 0.000 0.898 364 Q HN 0.797 nan 8.270 nan 0.000 0.426 365 N N -0.627 118.122 118.700 0.081 0.000 2.142 365 N HA -0.170 4.570 4.740 0.000 0.000 0.186 365 N C 1.761 177.258 175.510 -0.021 0.000 1.023 365 N CA 1.252 54.311 53.050 0.015 0.000 0.852 365 N CB -0.087 38.446 38.487 0.076 0.000 0.998 365 N HN 0.328 nan 8.380 nan 0.000 0.424 366 L N 1.382 122.643 121.223 0.063 0.000 2.083 366 L HA 0.005 4.345 4.340 0.000 0.000 0.209 366 L C 2.253 179.036 176.870 -0.143 0.000 1.083 366 L CA 2.043 56.784 54.840 -0.166 0.000 0.752 366 L CB -1.126 40.948 42.059 0.025 0.000 0.899 366 L HN 0.185 nan 8.230 nan 0.000 0.433 367 G N -1.059 107.723 108.800 -0.030 0.000 2.421 367 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 367 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 367 G C 1.594 176.483 174.900 -0.019 0.000 1.171 367 G CA 0.850 45.949 45.100 -0.003 0.000 0.775 367 G HN 0.643 nan 8.290 nan 0.000 0.543 368 A N 0.518 123.321 122.820 -0.028 0.000 1.902 368 A HA 0.050 4.370 4.320 0.000 0.000 0.217 368 A C 2.488 180.032 177.584 -0.067 0.000 1.181 368 A CA 1.813 53.829 52.037 -0.036 0.000 0.623 368 A CB -0.372 18.605 19.000 -0.039 0.000 0.818 368 A HN 0.378 nan 8.150 nan 0.000 0.443 369 M N -1.355 118.175 119.600 -0.117 0.000 2.086 369 M HA -0.171 4.309 4.480 0.000 0.000 0.261 369 M C 2.454 178.664 176.300 -0.150 0.000 1.067 369 M CA 1.978 57.192 55.300 -0.143 0.000 1.116 369 M CB -0.385 32.055 32.600 -0.266 0.000 1.348 369 M HN 0.487 nan 8.290 nan 0.000 0.407 370 R N 0.508 120.904 120.500 -0.172 0.000 2.096 370 R HA -0.185 4.155 4.340 0.000 0.000 0.240 370 R C 2.132 178.364 176.300 -0.114 0.000 1.139 370 R CA 1.881 57.892 56.100 -0.148 0.000 0.952 370 R CB -0.319 29.907 30.300 -0.123 0.000 0.854 370 R HN 0.387 nan 8.270 nan 0.000 0.436 371 A N 1.198 123.975 122.820 -0.072 0.000 1.845 371 A HA -0.155 4.165 4.320 0.000 0.000 0.215 371 A C 2.261 179.794 177.584 -0.084 0.000 1.195 371 A CA 1.376 53.377 52.037 -0.060 0.000 0.616 371 A CB -0.739 18.248 19.000 -0.020 0.000 0.832 371 A HN 0.368 nan 8.150 nan 0.000 0.443 372 L N -0.988 120.196 121.223 -0.066 0.000 2.187 372 L HA -0.225 4.115 4.340 0.000 0.000 0.213 372 L C 2.848 179.674 176.870 -0.073 0.000 1.100 372 L CA 1.065 55.875 54.840 -0.050 0.000 0.765 372 L CB -0.331 41.719 42.059 -0.016 0.000 0.904 372 L HN 0.492 nan 8.230 nan 0.000 0.437 373 A N -1.847 120.904 122.820 -0.114 0.000 2.095 373 A HA -0.071 4.249 4.320 0.000 0.000 0.212 373 A C 2.274 179.664 177.584 -0.325 0.000 1.162 373 A CA 1.310 53.256 52.037 -0.152 0.000 0.753 373 A CB -0.279 18.645 19.000 -0.127 0.000 0.840 373 A HN 0.309 nan 8.150 nan 0.000 0.468 374 T N -1.340 112.988 114.554 -0.377 0.000 2.706 374 T HA 0.019 4.369 4.350 0.000 0.000 0.255 374 T C 0.274 174.611 174.700 -0.604 0.000 1.048 374 T CA 1.429 63.121 62.100 -0.680 0.000 1.153 374 T CB -0.029 68.603 68.868 -0.394 0.000 0.865 374 T HN 0.330 nan 8.240 nan 0.000 0.414 375 E N 0.136 120.187 120.200 -0.248 0.000 2.639 375 E HA 0.407 4.757 4.350 0.000 0.000 0.378 375 E C -0.124 176.444 176.600 -0.053 0.000 1.002 375 E CA 0.504 56.849 56.400 -0.092 0.000 0.747 375 E CB 0.564 30.273 29.700 0.014 0.000 1.571 375 E HN 0.764 nan 8.360 nan 0.000 0.382 376 G N 2.551 111.327 108.800 -0.041 0.000 2.894 376 G HA2 -0.291 3.669 3.960 0.000 0.000 0.247 376 G HA3 -0.291 3.669 3.960 0.000 0.000 0.247 376 G C 0.421 175.301 174.900 -0.033 0.000 1.442 376 G CA 0.097 45.182 45.100 -0.026 0.000 0.897 376 G HN 0.574 nan 8.290 nan 0.000 0.550 377 I N -1.023 119.533 120.570 -0.023 0.000 4.323 377 I HA 0.235 4.405 4.170 0.000 0.000 0.328 377 I C 2.094 178.215 176.117 0.007 0.000 1.310 377 I CA 0.661 61.950 61.300 -0.019 0.000 1.186 377 I CB 0.275 38.251 38.000 -0.041 0.000 1.130 377 I HN 0.452 nan 8.210 nan 0.000 0.411 378 Q N 0.556 120.356 119.800 0.000 0.000 2.369 378 Q HA -0.075 4.265 4.340 0.000 0.000 0.206 378 Q C 2.025 178.027 176.000 0.004 0.000 0.963 378 Q CA 0.747 56.561 55.803 0.018 0.000 0.894 378 Q CB -0.384 28.357 28.738 0.006 0.000 0.965 378 Q HN 0.514 nan 8.270 nan 0.000 0.475 379 R N -0.301 120.179 120.500 -0.033 0.000 2.066 379 R HA -0.082 4.258 4.340 0.000 0.000 0.232 379 R C 2.021 178.277 176.300 -0.073 0.000 1.131 379 R CA 1.482 57.523 56.100 -0.098 0.000 0.955 379 R CB -0.140 30.079 30.300 -0.134 0.000 0.851 379 R HN 0.311 nan 8.270 nan 0.000 0.432 380 G N -1.855 106.933 108.800 -0.019 0.000 2.576 380 G HA2 -0.182 3.778 3.960 0.000 0.000 0.210 380 G HA3 -0.182 3.778 3.960 0.000 0.000 0.210 380 G C 1.119 176.044 174.900 0.041 0.000 1.143 380 G CA 0.259 45.357 45.100 -0.004 0.000 0.819 380 G HN 0.364 nan 8.290 nan 0.000 0.534 381 H N 0.302 119.367 119.070 -0.009 0.000 2.326 381 H HA 0.060 4.616 4.556 0.000 0.000 0.301 381 H C 2.520 177.874 175.328 0.043 0.000 1.081 381 H CA 1.546 57.606 56.048 0.021 0.000 1.334 381 H CB 0.102 29.876 29.762 0.020 0.000 1.385 381 H HN 0.106 nan 8.280 nan 0.000 0.504 382 M N 0.106 119.764 119.600 0.097 0.000 2.374 382 M HA -0.001 4.479 4.480 0.000 0.000 0.264 382 M C 2.476 178.777 176.300 0.003 0.000 1.067 382 M CA 1.108 56.435 55.300 0.045 0.000 1.103 382 M CB -1.072 31.556 32.600 0.047 0.000 1.402 382 M HN 0.492 nan 8.290 nan 0.000 0.444 383 A N 0.441 123.252 122.820 -0.016 0.000 1.933 383 A HA -0.103 4.217 4.320 0.000 0.000 0.218 383 A C 2.140 179.684 177.584 -0.067 0.000 1.175 383 A CA 1.162 53.179 52.037 -0.033 0.000 0.628 383 A CB -0.424 18.560 19.000 -0.028 0.000 0.814 383 A HN 0.349 nan 8.150 nan 0.000 0.444 384 L N -1.397 119.772 121.223 -0.089 0.000 2.127 384 L HA -0.016 4.324 4.340 0.000 0.000 0.203 384 L C 2.002 178.797 176.870 -0.124 0.000 1.080 384 L CA 1.838 56.605 54.840 -0.121 0.000 0.768 384 L CB -1.777 40.195 42.059 -0.146 0.000 0.924 384 L HN 0.634 nan 8.230 nan 0.000 0.444 385 H N -0.100 118.836 119.070 -0.223 0.000 2.556 385 H HA 0.130 4.686 4.556 0.000 0.000 0.273 385 H C 1.791 177.057 175.328 -0.105 0.000 1.030 385 H CA 0.423 56.364 56.048 -0.177 0.000 1.156 385 H CB 0.466 30.101 29.762 -0.211 0.000 1.326 385 H HN 0.278 nan 8.280 nan 0.000 0.609 386 A N 0.007 122.837 122.820 0.017 0.000 2.167 386 A HA -0.028 4.292 4.320 0.000 0.000 0.214 386 A C 2.193 179.749 177.584 -0.048 0.000 1.151 386 A CA 0.367 52.395 52.037 -0.016 0.000 0.735 386 A CB -0.029 18.927 19.000 -0.073 0.000 0.802 386 A HN 0.427 nan 8.150 nan 0.000 0.467 387 R N -0.251 120.202 120.500 -0.078 0.000 2.075 387 R HA -0.003 4.337 4.340 0.000 0.000 0.220 387 R C 1.761 178.037 176.300 -0.041 0.000 1.118 387 R CA 1.352 57.399 56.100 -0.089 0.000 0.986 387 R CB -0.431 29.796 30.300 -0.121 0.000 0.884 387 R HN 0.657 nan 8.270 nan 0.000 0.439 388 N N 1.274 119.936 118.700 -0.063 0.000 2.084 388 N HA -0.150 4.590 4.740 0.000 0.000 0.190 388 N C 1.935 177.492 175.510 0.078 0.000 1.030 388 N CA 0.923 53.950 53.050 -0.038 0.000 0.849 388 N CB -0.128 38.224 38.487 -0.224 0.000 1.012 388 N HN 0.108 nan 8.380 nan 0.000 0.423 389 I N 0.953 121.628 120.570 0.174 0.000 2.567 389 I HA -0.198 3.972 4.170 0.000 0.000 0.257 389 I C 2.041 178.193 176.117 0.058 0.000 1.184 389 I CA 0.473 61.850 61.300 0.129 0.000 1.451 389 I CB -0.002 38.066 38.000 0.114 0.000 1.089 389 I HN 0.141 nan 8.210 nan 0.000 0.441 390 A N -0.243 122.598 122.820 0.035 0.000 2.014 390 A HA -0.086 4.234 4.320 0.000 0.000 0.218 390 A C 2.183 179.781 177.584 0.024 0.000 1.163 390 A CA 1.435 53.480 52.037 0.014 0.000 0.652 390 A CB -0.619 18.376 19.000 -0.008 0.000 0.808 390 A HN 0.333 nan 8.150 nan 0.000 0.449 391 V N -0.342 119.590 119.914 0.030 0.000 2.591 391 V HA -0.149 3.971 4.120 0.000 0.000 0.249 391 V C 2.437 178.551 176.094 0.034 0.000 1.053 391 V CA 1.601 63.919 62.300 0.031 0.000 1.068 391 V CB -0.477 31.363 31.823 0.028 0.000 0.689 391 V HN 0.359 nan 8.190 nan 0.000 0.462 392 V N 0.481 120.420 119.914 0.041 0.000 2.626 392 V HA -0.170 3.950 4.120 0.000 0.000 0.252 392 V C 2.471 178.584 176.094 0.031 0.000 1.067 392 V CA 1.965 64.289 62.300 0.040 0.000 1.081 392 V CB -0.909 30.944 31.823 0.049 0.000 0.686 392 V HN 0.555 nan 8.190 nan 0.000 0.468 393 A N 0.155 122.992 122.820 0.028 0.000 1.973 393 A HA 0.359 4.679 4.320 0.000 0.000 0.210 393 A C 1.778 179.376 177.584 0.022 0.000 1.200 393 A CA 0.753 52.804 52.037 0.024 0.000 0.707 393 A CB -0.526 18.486 19.000 0.021 0.000 0.862 393 A HN 0.534 nan 8.150 nan 0.000 0.461 394 G N 0.211 109.024 108.800 0.023 0.000 2.469 394 G HA2 0.423 4.383 3.960 0.000 0.000 0.293 394 G HA3 0.423 4.383 3.960 0.000 0.000 0.293 394 G C 0.863 175.776 174.900 0.022 0.000 0.982 394 G CA 0.392 45.506 45.100 0.023 0.000 1.401 394 G HN 0.548 nan 8.290 nan 0.000 0.453 395 A N 3.714 126.546 122.820 0.019 0.000 1.832 395 A HA 0.191 4.511 4.320 0.000 0.000 0.214 395 A C 1.684 179.278 177.584 0.017 0.000 1.204 395 A CA 0.854 52.902 52.037 0.018 0.000 0.606 395 A CB 0.041 19.051 19.000 0.016 0.000 0.849 395 A HN 0.481 nan 8.150 nan 0.000 0.445 396 R N -1.175 119.334 120.500 0.015 0.000 2.599 396 R HA 0.471 4.811 4.340 0.000 0.000 0.295 396 R C -0.357 175.952 176.300 0.015 0.000 0.963 396 R CA 0.285 56.394 56.100 0.014 0.000 0.883 396 R CB 1.018 31.325 30.300 0.012 0.000 1.171 396 R HN 1.219 nan 8.270 nan 0.000 0.450 397 G N 4.007 112.815 108.800 0.014 0.000 2.545 397 G HA2 -0.156 3.804 3.960 0.000 0.000 0.279 397 G HA3 -0.156 3.804 3.960 0.000 0.000 0.279 397 G C 0.040 174.953 174.900 0.021 0.000 1.131 397 G CA 0.018 45.127 45.100 0.015 0.000 1.100 397 G HN 0.740 nan 8.290 nan 0.000 0.525 398 D N 0.199 120.613 120.400 0.022 0.000 2.371 398 D HA -0.013 4.627 4.640 0.000 0.000 0.234 398 D C 2.093 178.419 176.300 0.043 0.000 1.049 398 D CA 0.968 54.987 54.000 0.032 0.000 0.907 398 D CB 0.266 41.084 40.800 0.029 0.000 0.891 398 D HN 0.920 nan 8.370 nan 0.000 0.531 399 E N 0.435 120.655 120.200 0.033 0.000 2.107 399 E HA -0.127 4.223 4.350 0.000 0.000 0.191 399 E C 2.107 178.747 176.600 0.065 0.000 0.982 399 E CA 0.821 57.242 56.400 0.034 0.000 0.809 399 E CB -0.370 29.336 29.700 0.010 0.000 0.756 399 E HN 0.188 nan 8.360 nan 0.000 0.459 400 V N -0.754 119.195 119.914 0.058 0.000 3.510 400 V HA -0.073 4.047 4.120 0.000 0.000 0.270 400 V C 0.925 177.070 176.094 0.084 0.000 1.201 400 V CA 1.311 63.652 62.300 0.068 0.000 1.166 400 V CB -0.327 31.521 31.823 0.042 0.000 0.825 400 V HN -0.063 nan 8.190 nan 0.000 0.484 401 D N 0.216 120.671 120.400 0.092 0.000 2.144 401 D HA -0.172 4.468 4.640 0.000 0.000 0.199 401 D C 1.650 178.012 176.300 0.104 0.000 0.984 401 D CA 1.602 55.649 54.000 0.079 0.000 0.834 401 D CB -0.338 40.506 40.800 0.074 0.000 0.955 401 D HN 0.694 nan 8.370 nan 0.000 0.465 402 W N 1.533 122.818 121.300 -0.026 0.000 2.335 402 W HA -0.221 4.439 4.660 0.000 0.000 0.311 402 W C 1.642 178.139 176.519 -0.036 0.000 1.213 402 W CA 1.135 58.461 57.345 -0.030 0.000 1.274 402 W CB -0.283 29.160 29.460 -0.028 0.000 1.148 402 W HN -0.140 nan 8.180 nan 0.000 0.498 403 V N 1.559 121.602 119.914 0.215 0.000 2.427 403 V HA -0.241 3.879 4.120 0.000 0.000 0.248 403 V C 2.707 178.784 176.094 -0.028 0.000 1.051 403 V CA 2.067 64.425 62.300 0.097 0.000 1.048 403 V CB -1.696 30.193 31.823 0.109 0.000 0.666 403 V HN 0.240 nan 8.190 nan 0.000 0.456 404 A N 0.347 123.153 122.820 -0.025 0.000 1.972 404 A HA -0.215 4.105 4.320 0.000 0.000 0.219 404 A C 2.385 179.891 177.584 -0.130 0.000 1.169 404 A CA 1.754 53.752 52.037 -0.064 0.000 0.635 404 A CB -0.440 18.542 19.000 -0.030 0.000 0.810 404 A HN 0.541 nan 8.150 nan 0.000 0.446 405 R N -0.484 119.920 120.500 -0.161 0.000 2.075 405 R HA -0.119 4.221 4.340 0.000 0.000 0.232 405 R C 2.364 178.510 176.300 -0.256 0.000 1.126 405 R CA 1.628 57.597 56.100 -0.219 0.000 0.963 405 R CB -0.312 29.805 30.300 -0.305 0.000 0.858 405 R HN 0.677 nan 8.270 nan 0.000 0.435 406 Q N 0.341 119.979 119.800 -0.270 0.000 2.172 406 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 406 Q C 2.110 177.969 176.000 -0.236 0.000 0.964 406 Q CA 0.976 56.639 55.803 -0.233 0.000 0.855 406 Q CB 0.061 28.690 28.738 -0.182 0.000 0.918 406 Q HN 0.368 nan 8.270 nan 0.000 0.444 407 L N -0.496 120.569 121.223 -0.264 0.000 2.068 407 L HA -0.064 4.276 4.340 0.000 0.000 0.204 407 L C 2.236 178.590 176.870 -0.860 0.000 1.076 407 L CA 0.450 55.060 54.840 -0.384 0.000 0.753 407 L CB -0.335 41.581 42.059 -0.237 0.000 0.910 407 L HN 0.043 nan 8.230 nan 0.000 0.439 408 V N 0.033 119.571 119.914 -0.626 0.000 3.305 408 V HA -0.148 3.972 4.120 0.000 0.000 0.269 408 V C 1.953 177.796 176.094 -0.419 0.000 1.157 408 V CA 1.047 62.965 62.300 -0.637 0.000 1.157 408 V CB -0.314 31.378 31.823 -0.219 0.000 0.772 408 V HN 0.426 nan 8.190 nan 0.000 0.498 409 E N 0.105 120.099 120.200 -0.343 0.000 2.485 409 E HA -0.100 4.250 4.350 0.000 0.000 0.194 409 E C 0.358 176.984 176.600 0.043 0.000 1.098 409 E CA -0.044 56.290 56.400 -0.110 0.000 0.878 409 E CB 0.010 29.640 29.700 -0.117 0.000 0.939 409 E HN 0.924 nan 8.360 nan 0.000 0.503 410 Y N -1.079 119.232 120.300 0.018 0.000 2.873 410 Y HA 0.240 4.790 4.550 0.000 0.000 0.375 410 Y C -0.224 175.715 175.900 0.064 0.000 1.070 410 Y CA -0.743 57.344 58.100 -0.021 0.000 1.644 410 Y CB -1.867 36.565 38.460 -0.047 0.000 1.495 410 Y HN 0.160 nan 8.280 nan 0.000 0.494 411 H N -1.062 118.139 119.070 0.219 0.000 3.211 411 H HA -0.193 4.363 4.556 0.000 0.000 0.240 411 H C -0.640 174.764 175.328 0.127 0.000 1.148 411 H CA 0.846 56.969 56.048 0.125 0.000 1.160 411 H CB -0.827 28.978 29.762 0.072 0.000 1.232 411 H HN 0.581 nan 8.280 nan 0.000 0.321 412 D N 1.069 121.680 120.400 0.351 0.000 2.819 412 D HA 0.120 4.760 4.640 0.000 0.000 0.326 412 D C 0.102 176.544 176.300 0.236 0.000 1.408 412 D CA 0.044 54.189 54.000 0.240 0.000 0.811 412 D CB 0.984 41.878 40.800 0.157 0.000 1.148 412 D HN 0.062 nan 8.370 nan 0.000 0.457 413 V N 2.489 122.500 119.914 0.163 0.000 2.415 413 V HA 0.302 4.422 4.120 0.000 0.000 0.267 413 V C -0.255 175.873 176.094 0.056 0.000 1.042 413 V CA 0.367 62.717 62.300 0.084 0.000 1.000 413 V CB -0.198 31.648 31.823 0.038 0.000 1.015 413 V HN 0.374 nan 8.190 nan 0.000 0.478 414 R N 4.934 125.464 120.500 0.050 0.000 2.664 414 R HA 0.620 4.960 4.340 0.000 0.000 0.260 414 R C 0.371 176.688 176.300 0.029 0.000 1.062 414 R CA -0.222 55.895 56.100 0.030 0.000 0.902 414 R CB 0.948 31.266 30.300 0.031 0.000 1.258 414 R HN 0.520 nan 8.270 nan 0.000 0.465 415 A N 1.139 123.969 122.820 0.017 0.000 1.986 415 A HA -0.257 4.063 4.320 0.000 0.000 0.220 415 A C 1.584 179.183 177.584 0.024 0.000 1.171 415 A CA 2.219 54.268 52.037 0.020 0.000 0.640 415 A CB -0.791 18.218 19.000 0.016 0.000 0.811 415 A HN 0.904 nan 8.150 nan 0.000 0.451 416 D N -0.866 119.548 120.400 0.025 0.000 2.149 416 D HA -0.129 4.511 4.640 0.000 0.000 0.198 416 D C 2.282 178.603 176.300 0.035 0.000 0.990 416 D CA 2.159 56.175 54.000 0.026 0.000 0.839 416 D CB -0.066 40.748 40.800 0.024 0.000 0.948 416 D HN 0.415 nan 8.370 nan 0.000 0.460 417 R N 0.029 120.557 120.500 0.048 0.000 2.140 417 R HA 0.481 4.821 4.340 0.000 0.000 0.213 417 R C 2.294 178.628 176.300 0.057 0.000 1.059 417 R CA 1.193 57.335 56.100 0.069 0.000 1.000 417 R CB -1.194 29.174 30.300 0.114 0.000 0.910 417 R HN 0.257 nan 8.270 nan 0.000 0.455 418 A N 0.328 123.172 122.820 0.039 0.000 1.933 418 A HA -0.031 4.289 4.320 0.000 0.000 0.218 418 A C 2.467 180.065 177.584 0.023 0.000 1.175 418 A CA 1.683 53.733 52.037 0.022 0.000 0.628 418 A CB -0.731 18.278 19.000 0.016 0.000 0.814 418 A HN 0.509 nan 8.150 nan 0.000 0.444 419 V N -0.513 119.416 119.914 0.025 0.000 2.667 419 V HA -0.050 4.070 4.120 0.000 0.000 0.252 419 V C 2.639 178.749 176.094 0.025 0.000 1.065 419 V CA 1.958 64.272 62.300 0.023 0.000 1.083 419 V CB -0.499 31.337 31.823 0.022 0.000 0.692 419 V HN 0.586 nan 8.190 nan 0.000 0.468 420 A N -0.323 122.516 122.820 0.032 0.000 1.897 420 A HA -0.021 4.299 4.320 0.000 0.000 0.215 420 A C 2.060 179.666 177.584 0.037 0.000 1.181 420 A CA 1.579 53.637 52.037 0.035 0.000 0.620 420 A CB -0.513 18.512 19.000 0.042 0.000 0.821 420 A HN 0.534 nan 8.150 nan 0.000 0.443 421 L N -0.175 121.072 121.223 0.040 0.000 2.456 421 L HA -0.122 4.218 4.340 0.000 0.000 0.224 421 L C 2.221 179.105 176.870 0.024 0.000 1.148 421 L CA 0.333 55.194 54.840 0.036 0.000 0.825 421 L CB -0.462 41.611 42.059 0.024 0.000 0.937 421 L HN 0.401 nan 8.230 nan 0.000 0.450 422 L N -0.256 120.980 121.223 0.021 0.000 2.027 422 L HA -0.211 4.129 4.340 0.000 0.000 0.206 422 L C 2.665 179.547 176.870 0.019 0.000 1.074 422 L CA 1.055 55.906 54.840 0.019 0.000 0.745 422 L CB -0.472 41.598 42.059 0.018 0.000 0.898 422 L HN 0.162 nan 8.230 nan 0.000 0.433 423 K N 0.537 120.949 120.400 0.020 0.000 2.097 423 K HA -0.204 4.116 4.320 0.000 0.000 0.206 423 K C 2.028 178.640 176.600 0.019 0.000 1.049 423 K CA 1.372 57.671 56.287 0.019 0.000 0.933 423 K CB -0.185 32.326 32.500 0.018 0.000 0.717 423 K HN 0.065 nan 8.250 nan 0.000 0.442 424 Q N -0.020 119.794 119.800 0.023 0.000 2.443 424 Q HA -0.088 4.252 4.340 0.000 0.000 0.213 424 Q C 1.493 177.506 176.000 0.021 0.000 0.982 424 Q CA 1.441 57.258 55.803 0.025 0.000 0.894 424 Q CB 0.047 28.805 28.738 0.033 0.000 0.947 424 Q HN 0.390 nan 8.270 nan 0.000 0.480 425 K N -1.198 119.214 120.400 0.019 0.000 2.443 425 K HA 0.153 4.473 4.320 0.000 0.000 0.200 425 K C 1.496 178.105 176.600 0.015 0.000 1.278 425 K CA -0.096 56.201 56.287 0.017 0.000 0.925 425 K CB 0.375 32.885 32.500 0.018 0.000 1.225 425 K HN -0.077 nan 8.250 nan 0.000 0.514 426 R N 0.145 120.654 120.500 0.015 0.000 2.189 426 R HA 0.085 4.425 4.340 0.000 0.000 0.218 426 R C 0.963 177.270 176.300 0.012 0.000 1.074 426 R CA 1.053 57.161 56.100 0.013 0.000 0.991 426 R CB 0.474 30.782 30.300 0.014 0.000 0.883 426 R HN 0.249 nan 8.270 nan 0.000 0.457 427 G N -0.490 108.317 108.800 0.013 0.000 2.827 427 G HA2 0.163 4.123 3.960 0.000 0.000 0.202 427 G HA3 0.163 4.123 3.960 0.000 0.000 0.202 427 G C -1.507 173.400 174.900 0.012 0.000 1.185 427 G CA -0.614 44.493 45.100 0.011 0.000 0.920 427 G HN 0.162 nan 8.290 nan 0.000 0.550 428 Q N 0.000 119.807 119.800 0.011 0.000 2.315 428 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 428 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 428 Q CB 0.000 28.744 28.738 0.009 0.000 1.108 428 Q HN 0.000 nan 8.270 nan 0.000 0.481