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 2r7d_1_C DATA FIRST_RESID 3 DATA SEQUENCE QPELTPAQRT EVELLARGRA DKSRVLRDLK LPETPEAAHA LLLRLGVWDE DATA SEQUENCE ARTPYADRLR AALNAVELPV PDFDPAEERL DLTHLPTFAI DDEGNQDPDD DATA SEQUENCE AVGVEDLGGG LTRLWVHVAD VAALVAPDSP LDLEARARGA TLYLPDRTIG DATA SEQUENCE XLPDELVAKA GLGLHEVSPA LSICLDLDPD GNAEAVDVLL TRVKVQRLAY DATA SEQUENCE QEAQARLEAG EEPFVTLARL ARASRRLREG EGALSIDLPE VRVKADETGA DATA SEQUENCE SVFPLPKPEX RTVVQECXTL AGWGTAIFAD DNEIPLPFAT QDYPTREVAG DATA SEQUENCE DTLPAXWARR KTLARTRFQP SPGPHHGXGL DLYAQATSPX RRYLDLVVHQ DATA SEQUENCE QLRAFLAGRD PLSSKVXAAH IAESQXNADA TRQAERLSRR HHTLRFIAAQ DATA SEQUENCE PERVWDAVVV DRRGAQATLL IPDLAFDVQV NTPAAPGTAL QVQFADIDLP DATA SEQUENCE QXRVRARSV 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.998 176.000 -0.004 0.000 1.003 3 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 3 Q CB 0.000 28.736 28.738 -0.004 0.000 1.108 4 P HA 0.283 nan 4.420 nan 0.000 0.276 4 P C -0.901 176.394 177.300 -0.008 0.000 1.230 4 P CA 0.264 63.358 63.100 -0.009 0.000 0.776 4 P CB 0.881 32.574 31.700 -0.013 0.000 0.888 5 E N 1.995 122.191 120.200 -0.007 0.000 2.109 5 E HA 0.320 4.670 4.350 0.000 0.000 0.278 5 E C -0.605 175.990 176.600 -0.008 0.000 0.954 5 E CA -0.905 55.492 56.400 -0.005 0.000 0.779 5 E CB 1.149 30.848 29.700 -0.002 0.000 1.093 5 E HN 0.273 nan 8.360 nan 0.000 0.401 6 L N 2.668 123.884 121.223 -0.011 0.000 2.334 6 L HA 0.210 4.550 4.340 0.000 0.000 0.277 6 L C 0.856 177.721 176.870 -0.008 0.000 1.075 6 L CA -0.212 54.619 54.840 -0.014 0.000 0.804 6 L CB 1.310 43.355 42.059 -0.024 0.000 1.174 6 L HN 0.561 nan 8.230 nan 0.000 0.438 7 T N 0.300 114.849 114.554 -0.008 0.000 2.828 7 T HA 0.270 4.621 4.350 0.000 0.000 0.290 7 T C -1.886 172.812 174.700 -0.003 0.000 1.019 7 T CA -1.394 60.704 62.100 -0.004 0.000 1.031 7 T CB 0.683 69.549 68.868 -0.004 0.000 1.001 7 T HN 0.438 nan 8.240 nan 0.000 0.531 8 P HA -0.099 nan 4.420 nan 0.000 0.216 8 P C 1.664 178.965 177.300 0.002 0.000 1.153 8 P CA 1.672 64.776 63.100 0.006 0.000 0.858 8 P CB -0.301 31.405 31.700 0.009 0.000 0.789 9 A N -0.527 122.292 122.820 -0.001 0.000 1.933 9 A HA -0.261 4.059 4.320 0.000 0.000 0.218 9 A C 2.217 179.795 177.584 -0.010 0.000 1.175 9 A CA 1.598 53.633 52.037 -0.003 0.000 0.628 9 A CB -1.240 17.757 19.000 -0.004 0.000 0.814 9 A HN 0.216 nan 8.150 nan 0.000 0.444 10 Q N -0.741 119.051 119.800 -0.014 0.000 2.119 10 Q HA -0.132 4.208 4.340 0.000 0.000 0.201 10 Q C 2.313 178.292 176.000 -0.035 0.000 0.972 10 Q CA 1.337 57.126 55.803 -0.023 0.000 0.847 10 Q CB -0.148 28.577 28.738 -0.022 0.000 0.903 10 Q HN 0.637 nan 8.270 nan 0.000 0.433 11 R N -0.166 120.316 120.500 -0.030 0.000 2.081 11 R HA -0.086 4.254 4.340 0.000 0.000 0.235 11 R C 2.308 178.581 176.300 -0.045 0.000 1.131 11 R CA 1.687 57.760 56.100 -0.045 0.000 0.960 11 R CB -0.386 29.902 30.300 -0.019 0.000 0.856 11 R HN 0.175 nan 8.270 nan 0.000 0.436 12 T N 0.765 115.310 114.554 -0.016 0.000 2.821 12 T HA -0.175 4.175 4.350 0.000 0.000 0.267 12 T C 1.648 176.336 174.700 -0.021 0.000 1.046 12 T CA 1.315 63.413 62.100 -0.003 0.000 1.139 12 T CB -0.104 68.769 68.868 0.008 0.000 0.871 12 T HN 0.404 nan 8.240 nan 0.000 0.454 13 E N 0.681 120.863 120.200 -0.029 0.000 2.051 13 E HA -0.137 4.213 4.350 0.000 0.000 0.192 13 E C 2.175 178.741 176.600 -0.056 0.000 0.991 13 E CA 1.174 57.554 56.400 -0.034 0.000 0.799 13 E CB -0.081 29.600 29.700 -0.031 0.000 0.748 13 E HN 0.287 nan 8.360 nan 0.000 0.449 14 V N 1.213 121.077 119.914 -0.083 0.000 2.427 14 V HA -0.213 3.907 4.120 0.000 0.000 0.248 14 V C 2.406 178.389 176.094 -0.185 0.000 1.051 14 V CA 2.103 64.325 62.300 -0.130 0.000 1.048 14 V CB -0.557 31.173 31.823 -0.156 0.000 0.666 14 V HN 0.348 nan 8.190 nan 0.000 0.456 15 E N -0.071 120.023 120.200 -0.176 0.000 2.110 15 E HA -0.202 4.148 4.350 0.000 0.000 0.193 15 E C 2.232 178.807 176.600 -0.042 0.000 0.988 15 E CA 1.063 57.367 56.400 -0.160 0.000 0.804 15 E CB -0.016 29.690 29.700 0.010 0.000 0.745 15 E HN 0.374 nan 8.360 nan 0.000 0.458 16 L N 0.649 121.857 121.223 -0.025 0.000 2.083 16 L HA -0.170 4.170 4.340 0.000 0.000 0.209 16 L C 2.537 179.396 176.870 -0.018 0.000 1.083 16 L CA 1.002 55.840 54.840 -0.004 0.000 0.752 16 L CB -0.943 41.113 42.059 -0.006 0.000 0.899 16 L HN 0.346 nan 8.230 nan 0.000 0.433 17 L N 0.344 121.539 121.223 -0.046 0.000 2.072 17 L HA -0.032 4.308 4.340 0.000 0.000 0.205 17 L C 2.623 179.461 176.870 -0.052 0.000 1.079 17 L CA 1.905 56.718 54.840 -0.045 0.000 0.752 17 L CB -0.769 41.257 42.059 -0.054 0.000 0.906 17 L HN 0.124 nan 8.230 nan 0.000 0.436 18 A N -0.303 122.450 122.820 -0.111 0.000 1.940 18 A HA -0.206 4.114 4.320 0.000 0.000 0.219 18 A C 2.332 179.910 177.584 -0.011 0.000 1.176 18 A CA 1.720 53.676 52.037 -0.135 0.000 0.631 18 A CB -0.564 18.157 19.000 -0.466 0.000 0.814 18 A HN 0.531 nan 8.150 nan 0.000 0.446 19 R N -1.479 119.046 120.500 0.042 0.000 2.313 19 R HA 0.155 4.495 4.340 0.000 0.000 0.199 19 R C 1.243 177.551 176.300 0.014 0.000 0.958 19 R CA 0.545 56.679 56.100 0.057 0.000 1.047 19 R CB -0.152 30.197 30.300 0.082 0.000 0.955 19 R HN 0.719 nan 8.270 nan 0.000 0.481 20 G N 1.705 110.510 108.800 0.007 0.000 2.143 20 G HA2 -0.321 3.640 3.960 0.000 0.000 0.248 20 G HA3 -0.321 3.640 3.960 0.000 0.000 0.248 20 G C 0.873 175.777 174.900 0.008 0.000 0.991 20 G CA 0.637 45.742 45.100 0.009 0.000 0.689 20 G HN 0.272 nan 8.290 nan 0.000 0.522 21 R N 0.441 120.945 120.500 0.006 0.000 2.246 21 R HA 0.643 4.983 4.340 0.000 0.000 0.199 21 R C 1.186 177.486 176.300 0.001 0.000 0.984 21 R CA 1.702 57.804 56.100 0.005 0.000 1.015 21 R CB -0.154 30.150 30.300 0.007 0.000 0.930 21 R HN 1.118 nan 8.270 nan 0.000 0.475 22 A N -0.785 122.033 122.820 -0.002 0.000 2.413 22 A HA 0.452 4.772 4.320 0.000 0.000 0.307 22 A C -0.681 176.899 177.584 -0.005 0.000 1.087 22 A CA -0.595 51.438 52.037 -0.005 0.000 0.750 22 A CB 1.399 20.393 19.000 -0.011 0.000 1.296 22 A HN 0.207 nan 8.150 nan 0.000 0.423 23 D N -0.065 120.332 120.400 -0.004 0.000 2.469 23 D HA 0.178 4.818 4.640 0.000 0.000 0.215 23 D C -0.359 175.938 176.300 -0.005 0.000 1.154 23 D CA 0.489 54.488 54.000 -0.002 0.000 0.832 23 D CB 0.254 41.056 40.800 0.002 0.000 1.008 23 D HN 0.410 nan 8.370 nan 0.000 0.506 24 K N -0.435 119.959 120.400 -0.010 0.000 2.495 24 K HA 0.436 4.756 4.320 0.000 0.000 0.268 24 K C -1.133 175.456 176.600 -0.019 0.000 1.008 24 K CA -0.794 55.486 56.287 -0.012 0.000 0.882 24 K CB 1.981 34.475 32.500 -0.009 0.000 1.443 24 K HN -0.153 nan 8.250 nan 0.000 0.447 25 S N 0.295 115.983 115.700 -0.020 0.000 2.616 25 S HA 0.266 4.736 4.470 0.000 0.000 0.276 25 S C 0.022 174.609 174.600 -0.022 0.000 1.159 25 S CA -0.600 57.584 58.200 -0.026 0.000 1.000 25 S CB 0.843 64.021 63.200 -0.038 0.000 1.117 25 S HN 0.611 nan 8.310 nan 0.000 0.464 26 R N 2.661 123.149 120.500 -0.020 0.000 2.148 26 R HA -0.013 4.327 4.340 0.000 0.000 0.227 26 R C 1.739 178.028 176.300 -0.019 0.000 1.103 26 R CA 1.344 57.434 56.100 -0.017 0.000 0.983 26 R CB -0.307 29.985 30.300 -0.014 0.000 0.874 26 R HN 0.535 nan 8.270 nan 0.000 0.451 27 V N 1.043 120.942 119.914 -0.024 0.000 2.307 27 V HA -0.221 3.899 4.120 0.000 0.000 0.245 27 V C 2.032 178.109 176.094 -0.028 0.000 1.045 27 V CA 1.563 63.847 62.300 -0.027 0.000 1.024 27 V CB -0.296 31.505 31.823 -0.036 0.000 0.651 27 V HN 0.157 nan 8.190 nan 0.000 0.449 28 L N -0.352 120.852 121.223 -0.031 0.000 2.056 28 L HA -0.101 4.239 4.340 0.000 0.000 0.207 28 L C 2.503 179.361 176.870 -0.021 0.000 1.078 28 L CA 1.791 56.614 54.840 -0.029 0.000 0.749 28 L CB -0.959 41.081 42.059 -0.032 0.000 0.901 28 L HN 0.220 nan 8.230 nan 0.000 0.433 29 R N -0.120 120.370 120.500 -0.018 0.000 2.083 29 R HA -0.244 4.096 4.340 0.000 0.000 0.237 29 R C 2.030 178.322 176.300 -0.012 0.000 1.137 29 R CA 2.117 58.209 56.100 -0.013 0.000 0.951 29 R CB -0.348 29.945 30.300 -0.012 0.000 0.851 29 R HN 0.441 nan 8.270 nan 0.000 0.434 30 D N -0.232 120.160 120.400 -0.013 0.000 2.178 30 D HA -0.121 4.519 4.640 0.000 0.000 0.202 30 D C 1.633 177.926 176.300 -0.012 0.000 0.974 30 D CA 0.826 54.819 54.000 -0.012 0.000 0.841 30 D CB 0.077 40.870 40.800 -0.012 0.000 0.953 30 D HN 0.280 nan 8.370 nan 0.000 0.478 31 L N -0.255 120.960 121.223 -0.014 0.000 2.599 31 L HA 0.167 4.507 4.340 0.000 0.000 0.230 31 L C 0.567 177.430 176.870 -0.012 0.000 1.141 31 L CA 0.181 55.013 54.840 -0.014 0.000 0.877 31 L CB -0.198 41.850 42.059 -0.018 0.000 1.009 31 L HN 0.037 nan 8.230 nan 0.000 0.447 32 K N 0.162 120.556 120.400 -0.011 0.000 3.192 32 K HA -0.158 4.162 4.320 0.000 0.000 0.278 32 K C -0.409 176.185 176.600 -0.009 0.000 1.164 32 K CA 0.397 56.679 56.287 -0.009 0.000 0.816 32 K CB -1.798 30.698 32.500 -0.007 0.000 1.256 32 K HN 0.258 nan 8.250 nan 0.000 0.497 33 L N 1.041 122.257 121.223 -0.012 0.000 2.334 33 L HA 0.513 4.853 4.340 0.000 0.000 0.272 33 L C -1.722 175.142 176.870 -0.011 0.000 1.020 33 L CA -2.343 52.489 54.840 -0.013 0.000 0.812 33 L CB 0.878 42.926 42.059 -0.018 0.000 1.264 33 L HN -0.129 nan 8.230 nan 0.000 0.439 34 P HA 0.053 nan 4.420 nan 0.000 0.271 34 P C -1.040 176.255 177.300 -0.009 0.000 1.216 34 P CA -0.270 62.827 63.100 -0.005 0.000 0.776 34 P CB 0.587 32.287 31.700 -0.001 0.000 0.881 35 E N 1.492 121.687 120.200 -0.008 0.000 1.892 35 E HA 0.186 4.536 4.350 0.000 0.000 0.271 35 E C 0.203 176.799 176.600 -0.006 0.000 1.146 35 E CA -0.131 56.263 56.400 -0.011 0.000 1.096 35 E CB -0.102 29.591 29.700 -0.010 0.000 1.155 35 E HN 0.483 nan 8.360 nan 0.000 0.458 36 T N -1.662 112.889 114.554 -0.005 0.000 2.906 36 T HA 0.312 4.662 4.350 0.000 0.000 0.295 36 T C -2.398 172.304 174.700 0.004 0.000 1.061 36 T CA -2.414 59.689 62.100 0.005 0.000 1.000 36 T CB 2.118 70.996 68.868 0.016 0.000 1.103 36 T HN -0.188 nan 8.240 nan 0.000 0.486 37 P HA -0.075 nan 4.420 nan 0.000 0.216 37 P C 1.004 178.333 177.300 0.048 0.000 1.150 37 P CA 1.174 64.283 63.100 0.015 0.000 0.837 37 P CB 0.099 31.817 31.700 0.031 0.000 0.786 38 E N -0.201 120.042 120.200 0.072 0.000 2.072 38 E HA -0.105 4.245 4.350 0.000 0.000 0.191 38 E C 2.131 178.762 176.600 0.051 0.000 0.985 38 E CA 1.428 57.886 56.400 0.097 0.000 0.801 38 E CB -1.275 28.475 29.700 0.084 0.000 0.750 38 E HN 0.149 nan 8.360 nan 0.000 0.452 39 A N 1.199 124.030 122.820 0.019 0.000 1.930 39 A HA -0.028 4.292 4.320 0.000 0.000 0.217 39 A C 2.372 179.940 177.584 -0.028 0.000 1.175 39 A CA 1.726 53.760 52.037 -0.006 0.000 0.627 39 A CB -0.808 18.186 19.000 -0.010 0.000 0.815 39 A HN 0.285 nan 8.150 nan 0.000 0.443 40 A N -1.155 121.639 122.820 -0.043 0.000 1.898 40 A HA -0.175 4.145 4.320 0.000 0.000 0.216 40 A C 2.030 179.524 177.584 -0.151 0.000 1.181 40 A CA 1.744 53.715 52.037 -0.112 0.000 0.620 40 A CB -0.993 17.924 19.000 -0.139 0.000 0.819 40 A HN 0.806 nan 8.150 nan 0.000 0.442 41 H N -0.492 118.446 119.070 -0.220 0.000 2.319 41 H HA -0.104 4.452 4.556 0.000 0.000 0.299 41 H C 2.321 177.581 175.328 -0.114 0.000 1.092 41 H CA 1.221 57.140 56.048 -0.216 0.000 1.302 41 H CB -0.025 29.729 29.762 -0.013 0.000 1.373 41 H HN 0.458 nan 8.280 nan 0.000 0.497 42 A N 1.439 124.256 122.820 -0.005 0.000 1.908 42 A HA -0.171 4.149 4.320 0.000 0.000 0.218 42 A C 2.566 180.127 177.584 -0.037 0.000 1.181 42 A CA 1.463 53.465 52.037 -0.058 0.000 0.627 42 A CB -0.974 17.994 19.000 -0.053 0.000 0.818 42 A HN 0.551 nan 8.150 nan 0.000 0.445 43 L N -0.475 120.714 121.223 -0.056 0.000 1.989 43 L HA -0.191 4.149 4.340 0.000 0.000 0.211 43 L C 2.552 179.375 176.870 -0.078 0.000 1.071 43 L CA 1.709 56.510 54.840 -0.066 0.000 0.749 43 L CB -0.384 41.624 42.059 -0.085 0.000 0.890 43 L HN 0.453 nan 8.230 nan 0.000 0.431 44 L N -0.593 120.540 121.223 -0.150 0.000 2.079 44 L HA -0.294 4.046 4.340 0.000 0.000 0.210 44 L C 2.555 179.428 176.870 0.005 0.000 1.081 44 L CA 1.182 55.909 54.840 -0.188 0.000 0.752 44 L CB -0.523 41.175 42.059 -0.602 0.000 0.896 44 L HN 0.336 nan 8.230 nan 0.000 0.433 45 L N -0.768 120.503 121.223 0.080 0.000 2.056 45 L HA -0.184 4.156 4.340 0.000 0.000 0.207 45 L C 2.903 179.812 176.870 0.066 0.000 1.078 45 L CA 1.242 56.160 54.840 0.129 0.000 0.749 45 L CB -0.499 41.626 42.059 0.110 0.000 0.901 45 L HN 0.230 nan 8.230 nan 0.000 0.433 46 R N 0.145 120.661 120.500 0.026 0.000 2.073 46 R HA -0.120 4.220 4.340 0.000 0.000 0.234 46 R C 2.209 178.519 176.300 0.017 0.000 1.134 46 R CA 1.186 57.294 56.100 0.015 0.000 0.952 46 R CB -0.401 29.898 30.300 -0.002 0.000 0.850 46 R HN 0.341 nan 8.270 nan 0.000 0.433 47 L N -0.456 120.772 121.223 0.008 0.000 2.376 47 L HA 0.026 4.366 4.340 0.000 0.000 0.219 47 L C 1.370 178.258 176.870 0.030 0.000 1.133 47 L CA 0.868 55.713 54.840 0.009 0.000 0.816 47 L CB -0.313 41.739 42.059 -0.012 0.000 0.933 47 L HN 0.558 nan 8.230 nan 0.000 0.449 48 G N -0.775 108.057 108.800 0.054 0.000 2.157 48 G HA2 -0.267 3.693 3.960 0.000 0.000 0.248 48 G HA3 -0.267 3.693 3.960 0.000 0.000 0.248 48 G C 0.751 175.715 174.900 0.106 0.000 0.979 48 G CA 0.358 45.505 45.100 0.079 0.000 0.650 48 G HN 0.138 nan 8.290 nan 0.000 0.529 49 V N -1.375 118.601 119.914 0.102 0.000 2.453 49 V HA 0.119 4.239 4.120 0.000 0.000 0.247 49 V C 1.280 177.579 176.094 0.342 0.000 1.048 49 V CA 1.734 64.119 62.300 0.141 0.000 1.049 49 V CB -0.262 31.582 31.823 0.034 0.000 0.672 49 V HN 0.412 nan 8.190 nan 0.000 0.457 50 W N 0.710 122.032 121.300 0.036 0.000 2.689 50 W HA 0.527 5.187 4.660 0.000 0.000 0.340 50 W C -0.409 176.149 176.519 0.065 0.000 1.060 50 W CA -2.063 55.307 57.345 0.042 0.000 1.218 50 W CB 1.004 30.493 29.460 0.048 0.000 1.410 50 W HN 0.205 nan 8.180 nan 0.000 0.528 51 D N -0.694 119.846 120.400 0.234 0.000 2.437 51 D HA 0.185 4.825 4.640 0.000 0.000 0.259 51 D C 0.426 176.847 176.300 0.203 0.000 1.118 51 D CA -0.491 53.611 54.000 0.170 0.000 1.017 51 D CB 0.859 41.719 40.800 0.101 0.000 1.120 51 D HN 0.464 nan 8.370 nan 0.000 0.541 52 E N -0.828 119.481 120.200 0.181 0.000 2.409 52 E HA -0.065 4.285 4.350 0.000 0.000 0.198 52 E C 1.593 178.357 176.600 0.273 0.000 1.024 52 E CA 0.630 57.160 56.400 0.217 0.000 0.861 52 E CB -0.091 29.686 29.700 0.128 0.000 0.788 52 E HN 0.548 nan 8.360 nan 0.000 0.521 53 A N 0.982 123.921 122.820 0.199 0.000 2.067 53 A HA -0.028 4.292 4.320 0.000 0.000 0.217 53 A C 1.070 178.716 177.584 0.103 0.000 1.156 53 A CA 0.236 52.411 52.037 0.231 0.000 0.683 53 A CB 0.032 19.122 19.000 0.150 0.000 0.808 53 A HN 0.029 nan 8.150 nan 0.000 0.455 54 R N 1.366 121.820 120.500 -0.076 0.000 2.489 54 R HA 0.253 4.593 4.340 0.000 0.000 0.287 54 R C -0.526 175.475 176.300 -0.497 0.000 1.053 54 R CA 0.720 56.591 56.100 -0.382 0.000 1.036 54 R CB 0.232 30.034 30.300 -0.830 0.000 0.966 54 R HN 0.432 nan 8.270 nan 0.000 0.432 55 T N 0.336 114.576 114.554 -0.523 0.000 2.791 55 T HA 0.316 4.666 4.350 0.000 0.000 0.288 55 T C -1.651 172.737 174.700 -0.519 0.000 0.999 55 T CA -1.647 60.107 62.100 -0.576 0.000 0.952 55 T CB 2.021 70.683 68.868 -0.342 0.000 0.938 55 T HN 0.412 nan 8.240 nan 0.000 0.444 56 P HA 0.120 nan 4.420 nan 0.000 0.261 56 P C 0.352 177.397 177.300 -0.425 0.000 1.268 56 P CA -0.118 62.691 63.100 -0.484 0.000 0.833 56 P CB -0.011 31.472 31.700 -0.362 0.000 1.231 57 Y N 1.445 121.712 120.300 -0.055 0.000 2.200 57 Y HA -0.064 4.486 4.550 0.000 0.000 0.290 57 Y C 2.887 178.777 175.900 -0.016 0.000 1.137 57 Y CA 1.283 59.374 58.100 -0.015 0.000 1.163 57 Y CB -1.702 36.753 38.460 -0.008 0.000 0.988 57 Y HN -0.017 nan 8.280 nan 0.000 0.518 58 A N 0.425 123.292 122.820 0.078 0.000 1.877 58 A HA -0.213 4.107 4.320 0.000 0.000 0.216 58 A C 1.793 179.382 177.584 0.009 0.000 1.186 58 A CA 2.167 54.227 52.037 0.038 0.000 0.620 58 A CB -0.894 18.109 19.000 0.004 0.000 0.822 58 A HN 0.411 nan 8.150 nan 0.000 0.443 59 D N -0.529 119.857 120.400 -0.024 0.000 2.097 59 D HA -0.127 4.513 4.640 0.000 0.000 0.195 59 D C 2.171 178.470 176.300 -0.002 0.000 0.989 59 D CA 1.409 55.396 54.000 -0.023 0.000 0.827 59 D CB -0.324 40.452 40.800 -0.040 0.000 0.966 59 D HN 0.437 nan 8.370 nan 0.000 0.456 60 R N -0.051 120.451 120.500 0.003 0.000 2.105 60 R HA -0.011 4.330 4.340 0.000 0.000 0.239 60 R C 1.893 178.219 176.300 0.043 0.000 1.135 60 R CA 0.701 56.818 56.100 0.028 0.000 0.967 60 R CB -0.280 30.049 30.300 0.048 0.000 0.861 60 R HN 0.244 nan 8.270 nan 0.000 0.442 61 L N 0.422 121.677 121.223 0.054 0.000 2.591 61 L HA 0.143 4.483 4.340 0.000 0.000 0.228 61 L C 0.149 177.034 176.870 0.024 0.000 1.133 61 L CA 0.081 54.949 54.840 0.047 0.000 0.880 61 L CB -0.023 42.072 42.059 0.061 0.000 1.033 61 L HN 0.174 nan 8.230 nan 0.000 0.450 62 R N -0.765 119.744 120.500 0.015 0.000 3.641 62 R HA -0.170 4.170 4.340 0.000 0.000 0.286 62 R C 0.310 176.606 176.300 -0.005 0.000 1.153 62 R CA 0.409 56.510 56.100 0.001 0.000 0.775 62 R CB -2.271 28.029 30.300 -0.000 0.000 1.215 62 R HN 0.329 nan 8.270 nan 0.000 0.474 63 A N 0.837 123.656 122.820 -0.002 0.000 2.354 63 A HA 0.691 5.011 4.320 0.000 0.000 0.269 63 A C 0.800 178.371 177.584 -0.022 0.000 1.109 63 A CA 0.157 52.188 52.037 -0.010 0.000 0.800 63 A CB 0.643 19.644 19.000 0.001 0.000 1.045 63 A HN 0.462 nan 8.150 nan 0.000 0.489 64 A N 1.875 124.675 122.820 -0.032 0.000 2.524 64 A HA 0.426 4.746 4.320 0.000 0.000 0.250 64 A C 0.621 178.180 177.584 -0.042 0.000 1.078 64 A CA -0.049 51.965 52.037 -0.039 0.000 0.761 64 A CB -0.273 18.700 19.000 -0.046 0.000 1.012 64 A HN 0.907 nan 8.150 nan 0.000 0.500 65 L N 1.764 122.963 121.223 -0.040 0.000 2.664 65 L HA 0.105 4.445 4.340 0.000 0.000 0.233 65 L C 0.639 177.481 176.870 -0.045 0.000 1.113 65 L CA 0.017 54.830 54.840 -0.044 0.000 0.896 65 L CB -0.229 41.803 42.059 -0.045 0.000 1.163 65 L HN 0.940 nan 8.230 nan 0.000 0.497 66 N N 0.348 119.022 118.700 -0.042 0.000 2.456 66 N HA 0.499 5.239 4.740 0.000 0.000 0.288 66 N C -0.111 175.374 175.510 -0.042 0.000 1.059 66 N CA -0.459 52.567 53.050 -0.039 0.000 0.946 66 N CB 1.340 39.807 38.487 -0.034 0.000 1.150 66 N HN -0.004 nan 8.380 nan 0.000 0.479 67 A N 1.801 124.597 122.820 -0.040 0.000 2.466 67 A HA 0.216 4.536 4.320 0.000 0.000 0.238 67 A C 0.179 177.740 177.584 -0.037 0.000 1.074 67 A CA -0.665 51.348 52.037 -0.041 0.000 0.774 67 A CB 0.121 19.100 19.000 -0.035 0.000 1.015 67 A HN 0.620 nan 8.150 nan 0.000 0.498 68 V N 2.652 122.543 119.914 -0.038 0.000 2.439 68 V HA 0.075 4.195 4.120 0.000 0.000 0.271 68 V C 0.508 176.584 176.094 -0.029 0.000 1.040 68 V CA 0.445 62.724 62.300 -0.035 0.000 1.002 68 V CB 0.143 31.945 31.823 -0.035 0.000 1.000 68 V HN 0.903 nan 8.190 nan 0.000 0.477 69 E N 5.162 125.346 120.200 -0.027 0.000 2.674 69 E HA 0.332 4.682 4.350 0.000 0.000 0.240 69 E C -1.134 175.452 176.600 -0.023 0.000 1.213 69 E CA -0.491 55.894 56.400 -0.024 0.000 1.357 69 E CB 0.566 30.253 29.700 -0.021 0.000 1.467 69 E HN 0.402 nan 8.360 nan 0.000 0.448 70 L N 1.948 123.156 121.223 -0.025 0.000 2.330 70 L HA 0.446 4.787 4.340 0.000 0.000 0.271 70 L C -2.034 174.820 176.870 -0.027 0.000 1.013 70 L CA -2.745 52.080 54.840 -0.025 0.000 0.816 70 L CB 0.222 42.265 42.059 -0.026 0.000 1.287 70 L HN 0.108 nan 8.230 nan 0.000 0.435 71 P HA 0.129 nan 4.420 nan 0.000 0.268 71 P C -0.960 176.316 177.300 -0.039 0.000 1.205 71 P CA -0.114 62.968 63.100 -0.030 0.000 0.771 71 P CB 1.007 32.691 31.700 -0.027 0.000 0.858 72 V N 5.410 125.296 119.914 -0.047 0.000 2.384 72 V HA 0.287 4.407 4.120 0.000 0.000 0.287 72 V C -1.481 174.560 176.094 -0.089 0.000 1.020 72 V CA -1.633 60.625 62.300 -0.070 0.000 0.850 72 V CB 1.080 32.861 31.823 -0.070 0.000 0.987 72 V HN 0.643 nan 8.190 nan 0.000 0.436 73 P HA 0.266 nan 4.420 nan 0.000 0.272 73 P C -0.891 176.300 177.300 -0.180 0.000 1.240 73 P CA -0.322 62.707 63.100 -0.118 0.000 0.791 73 P CB 0.989 32.622 31.700 -0.112 0.000 0.978 74 D N 0.043 120.360 120.400 -0.140 0.000 2.332 74 D HA 0.294 4.934 4.640 0.000 0.000 0.252 74 D C 0.169 176.370 176.300 -0.166 0.000 1.050 74 D CA -0.148 53.766 54.000 -0.143 0.000 0.970 74 D CB 0.428 41.204 40.800 -0.040 0.000 1.141 74 D HN 0.180 nan 8.370 nan 0.000 0.485 75 F N 0.701 120.637 119.950 -0.022 0.000 2.506 75 F HA 0.012 4.540 4.527 0.000 0.000 0.351 75 F C 1.346 177.133 175.800 -0.022 0.000 1.136 75 F CA -0.117 57.871 58.000 -0.019 0.000 1.298 75 F CB 0.327 39.311 39.000 -0.027 0.000 1.145 75 F HN 0.052 nan 8.300 nan 0.000 0.593 76 D N 5.169 125.678 120.400 0.181 0.000 2.338 76 D HA 0.087 4.727 4.640 0.000 0.000 0.255 76 D C -1.333 175.015 176.300 0.079 0.000 1.237 76 D CA -2.089 51.967 54.000 0.092 0.000 0.883 76 D CB 0.975 41.815 40.800 0.067 0.000 1.087 76 D HN 0.180 nan 8.370 nan 0.000 0.485 77 P HA -0.116 nan 4.420 nan 0.000 0.218 77 P C 0.818 178.124 177.300 0.009 0.000 1.149 77 P CA 0.667 63.781 63.100 0.023 0.000 0.817 77 P CB 0.266 31.973 31.700 0.012 0.000 0.785 78 A N -0.247 122.581 122.820 0.013 0.000 2.169 78 A HA -0.015 4.305 4.320 0.000 0.000 0.212 78 A C 1.295 178.883 177.584 0.008 0.000 1.153 78 A CA -0.059 51.981 52.037 0.006 0.000 0.756 78 A CB -0.894 18.109 19.000 0.005 0.000 0.813 78 A HN 0.214 nan 8.150 nan 0.000 0.471 79 E N 1.527 121.737 120.200 0.017 0.000 2.415 79 E HA 0.078 4.428 4.350 0.000 0.000 0.263 79 E C -0.086 176.517 176.600 0.005 0.000 0.995 79 E CA -0.186 56.225 56.400 0.018 0.000 0.915 79 E CB 0.350 30.073 29.700 0.039 0.000 0.951 79 E HN 0.646 nan 8.360 nan 0.000 0.449 80 E N 5.198 125.399 120.200 0.003 0.000 2.316 80 E HA 0.203 4.553 4.350 0.000 0.000 0.275 80 E C -0.661 175.934 176.600 -0.007 0.000 1.029 80 E CA -0.170 56.227 56.400 -0.004 0.000 0.871 80 E CB 0.937 30.636 29.700 -0.000 0.000 1.022 80 E HN 0.346 nan 8.360 nan 0.000 0.418 81 R N 2.089 122.577 120.500 -0.020 0.000 2.698 81 R HA 0.321 4.661 4.340 0.000 0.000 0.275 81 R C -1.131 175.149 176.300 -0.034 0.000 1.001 81 R CA -1.295 54.787 56.100 -0.031 0.000 0.896 81 R CB 1.184 31.448 30.300 -0.060 0.000 1.218 81 R HN 0.518 nan 8.270 nan 0.000 0.462 82 L N 2.263 123.468 121.223 -0.030 0.000 2.361 82 L HA 0.154 4.494 4.340 0.000 0.000 0.278 82 L C -0.181 176.641 176.870 -0.081 0.000 1.113 82 L CA 0.388 55.212 54.840 -0.027 0.000 0.849 82 L CB 0.451 42.515 42.059 0.009 0.000 1.155 82 L HN 0.511 nan 8.230 nan 0.000 0.452 83 D N 5.405 125.770 120.400 -0.059 0.000 2.317 83 D HA 0.133 4.773 4.640 0.000 0.000 0.252 83 D C 0.069 176.330 176.300 -0.065 0.000 1.174 83 D CA -0.042 53.911 54.000 -0.078 0.000 0.866 83 D CB 0.832 41.606 40.800 -0.043 0.000 1.127 83 D HN 0.702 nan 8.370 nan 0.000 0.467 84 L N 3.713 124.808 121.223 -0.213 0.000 3.202 84 L HA 0.058 4.398 4.340 0.000 0.000 0.278 84 L C 2.039 178.646 176.870 -0.439 0.000 1.268 84 L CA -0.164 54.446 54.840 -0.384 0.000 1.034 84 L CB 0.512 42.183 42.059 -0.647 0.000 1.407 84 L HN 0.377 nan 8.230 nan 0.000 0.581 85 T N -0.537 113.886 114.554 -0.219 0.000 3.051 85 T HA -0.148 4.202 4.350 0.000 0.000 0.269 85 T C 1.803 176.410 174.700 -0.156 0.000 1.127 85 T CA 1.248 63.230 62.100 -0.196 0.000 1.107 85 T CB -0.232 68.567 68.868 -0.115 0.000 0.898 85 T HN 0.553 nan 8.240 nan 0.000 0.517 86 H N -0.401 118.588 119.070 -0.135 0.000 2.551 86 H HA 0.269 4.825 4.556 0.000 0.000 0.266 86 H C 0.502 175.775 175.328 -0.090 0.000 0.964 86 H CA -0.127 55.864 56.048 -0.095 0.000 1.180 86 H CB -0.380 29.341 29.762 -0.068 0.000 1.408 86 H HN 0.352 nan 8.280 nan 0.000 0.563 87 L N 3.852 124.731 121.223 -0.572 0.000 2.307 87 L HA 0.324 4.664 4.340 0.000 0.000 0.282 87 L C -2.167 174.553 176.870 -0.251 0.000 1.051 87 L CA -2.264 52.350 54.840 -0.377 0.000 0.804 87 L CB 1.554 43.336 42.059 -0.460 0.000 1.197 87 L HN -0.041 nan 8.230 nan 0.000 0.431 88 P HA 0.074 nan 4.420 nan 0.000 0.270 88 P C -0.803 176.379 177.300 -0.198 0.000 1.242 88 P CA -0.015 62.989 63.100 -0.159 0.000 0.768 88 P CB 0.619 32.353 31.700 0.055 0.000 0.820 89 T N 4.302 118.579 114.554 -0.463 0.000 2.841 89 T HA 0.608 4.958 4.350 0.000 0.000 0.283 89 T C -0.629 173.730 174.700 -0.568 0.000 1.000 89 T CA -0.110 61.808 62.100 -0.303 0.000 0.977 89 T CB 0.671 69.398 68.868 -0.235 0.000 0.979 89 T HN 0.101 nan 8.240 nan 0.000 0.446 90 F N 1.150 121.103 119.950 0.003 0.000 2.547 90 F HA 0.664 5.191 4.527 0.000 0.000 0.316 90 F C 0.142 175.968 175.800 0.044 0.000 1.121 90 F CA -1.188 56.833 58.000 0.035 0.000 0.911 90 F CB 1.638 40.694 39.000 0.093 0.000 1.179 90 F HN 0.643 nan 8.300 nan 0.000 0.443 91 A N 4.838 127.763 122.820 0.176 0.000 2.280 91 A HA 0.764 5.084 4.320 0.000 0.000 0.320 91 A C -0.660 176.961 177.584 0.062 0.000 1.366 91 A CA -0.398 51.693 52.037 0.091 0.000 0.938 91 A CB -0.301 18.719 19.000 0.033 0.000 1.157 91 A HN 0.721 nan 8.150 nan 0.000 0.536 92 I N 3.208 123.783 120.570 0.008 0.000 2.330 92 I HA 0.363 4.533 4.170 0.000 0.000 0.289 92 I C -0.622 175.176 176.117 -0.533 0.000 1.001 92 I CA -0.267 60.927 61.300 -0.177 0.000 1.193 92 I CB 1.393 39.360 38.000 -0.054 0.000 1.345 92 I HN 0.580 nan 8.210 nan 0.000 0.461 93 D N 4.128 124.141 120.400 -0.645 0.000 2.636 93 D HA 0.268 4.908 4.640 0.000 0.000 0.275 93 D C -1.102 174.858 176.300 -0.565 0.000 1.130 93 D CA -0.615 52.998 54.000 -0.644 0.000 1.031 93 D CB 1.714 42.378 40.800 -0.226 0.000 1.451 93 D HN 0.313 nan 8.370 nan 0.000 0.505 94 D N 1.052 121.386 120.400 -0.110 0.000 2.443 94 D HA 0.044 4.684 4.640 0.000 0.000 0.239 94 D C 0.098 176.394 176.300 -0.007 0.000 1.136 94 D CA 0.524 54.587 54.000 0.104 0.000 0.879 94 D CB 0.619 41.487 40.800 0.113 0.000 1.195 94 D HN 0.157 nan 8.370 nan 0.000 0.443 95 E N 0.135 120.342 120.200 0.011 0.000 2.415 95 E HA 0.281 4.632 4.350 0.000 0.000 0.263 95 E C 1.054 177.624 176.600 -0.051 0.000 0.995 95 E CA 0.322 56.699 56.400 -0.038 0.000 0.915 95 E CB 0.580 30.249 29.700 -0.050 0.000 0.951 95 E HN 0.699 nan 8.360 nan 0.000 0.449 96 G N 3.257 112.022 108.800 -0.057 0.000 2.232 96 G HA2 -0.265 3.695 3.960 0.000 0.000 0.226 96 G HA3 -0.265 3.695 3.960 0.000 0.000 0.226 96 G C 0.266 175.148 174.900 -0.030 0.000 0.996 96 G CA 0.055 45.126 45.100 -0.049 0.000 0.626 96 G HN 0.681 nan 8.290 nan 0.000 0.509 97 N N 0.556 119.235 118.700 -0.036 0.000 2.399 97 N HA 0.326 5.066 4.740 0.000 0.000 0.250 97 N C 0.533 176.032 175.510 -0.017 0.000 1.272 97 N CA 0.621 53.652 53.050 -0.031 0.000 0.928 97 N CB 0.874 39.332 38.487 -0.048 0.000 1.158 97 N HN 0.487 nan 8.380 nan 0.000 0.463 98 Q N -1.218 118.585 119.800 0.005 0.000 2.089 98 Q HA 0.171 4.511 4.340 0.000 0.000 0.227 98 Q C -1.087 174.920 176.000 0.012 0.000 0.774 98 Q CA -0.087 55.719 55.803 0.006 0.000 0.960 98 Q CB 1.068 29.815 28.738 0.015 0.000 1.179 98 Q HN 0.617 nan 8.270 nan 0.000 0.460 99 D N 1.940 122.358 120.400 0.030 0.000 2.363 99 D HA 0.248 4.888 4.640 0.000 0.000 0.258 99 D C -2.634 173.687 176.300 0.036 0.000 1.259 99 D CA -1.249 52.773 54.000 0.035 0.000 0.921 99 D CB 1.685 42.523 40.800 0.063 0.000 1.201 99 D HN -0.067 nan 8.370 nan 0.000 0.524 100 P HA 0.103 nan 4.420 nan 0.000 0.267 100 P C 0.534 177.857 177.300 0.039 0.000 1.209 100 P CA -0.029 63.083 63.100 0.020 0.000 0.763 100 P CB 1.418 33.121 31.700 0.005 0.000 0.816 101 D N 0.951 121.381 120.400 0.049 0.000 2.327 101 D HA -0.007 4.633 4.640 0.000 0.000 0.205 101 D C 0.231 176.576 176.300 0.076 0.000 0.989 101 D CA 0.975 55.010 54.000 0.059 0.000 0.873 101 D CB 0.553 41.386 40.800 0.055 0.000 0.955 101 D HN 0.566 nan 8.370 nan 0.000 0.515 102 D N -0.734 119.711 120.400 0.076 0.000 2.552 102 D HA 0.562 5.203 4.640 0.000 0.000 0.239 102 D C -1.160 175.199 176.300 0.099 0.000 1.139 102 D CA -0.876 53.182 54.000 0.097 0.000 0.914 102 D CB 2.788 43.648 40.800 0.100 0.000 1.461 102 D HN -0.112 nan 8.370 nan 0.000 0.462 103 A N 0.227 123.128 122.820 0.135 0.000 2.572 103 A HA 0.630 4.950 4.320 0.000 0.000 0.295 103 A C -0.853 176.840 177.584 0.182 0.000 1.072 103 A CA -0.552 51.581 52.037 0.159 0.000 0.691 103 A CB 1.742 20.828 19.000 0.144 0.000 1.291 103 A HN 0.874 nan 8.150 nan 0.000 0.404 104 V N -1.393 118.632 119.914 0.186 0.000 3.001 104 V HA 1.071 5.191 4.120 0.000 0.000 0.314 104 V C 0.111 176.311 176.094 0.176 0.000 1.099 104 V CA -0.048 62.337 62.300 0.142 0.000 0.989 104 V CB 1.372 33.266 31.823 0.119 0.000 1.040 104 V HN 2.226 nan 8.190 nan 0.000 0.434 105 G N 0.179 109.070 108.800 0.152 0.000 2.523 105 G HA2 0.777 4.738 3.960 0.000 0.000 0.291 105 G HA3 0.777 4.738 3.960 0.000 0.000 0.291 105 G C -1.255 173.763 174.900 0.197 0.000 1.450 105 G CA 0.034 45.232 45.100 0.164 0.000 0.790 105 G HN 2.039 nan 8.290 nan 0.000 0.496 106 V N -3.159 116.859 119.914 0.173 0.000 3.181 106 V HA 0.961 5.081 4.120 0.000 0.000 0.308 106 V C -1.066 175.143 176.094 0.192 0.000 1.214 106 V CA -1.100 61.303 62.300 0.172 0.000 1.053 106 V CB 2.053 33.918 31.823 0.070 0.000 1.069 106 V HN 0.877 nan 8.190 nan 0.000 0.441 107 E N 0.621 120.919 120.200 0.163 0.000 2.290 107 E HA 0.373 4.723 4.350 0.000 0.000 0.274 107 E C -1.982 174.667 176.600 0.083 0.000 0.889 107 E CA -0.584 55.907 56.400 0.152 0.000 0.760 107 E CB 2.479 32.323 29.700 0.240 0.000 1.206 107 E HN 0.985 nan 8.360 nan 0.000 0.419 108 D N 3.136 123.578 120.400 0.071 0.000 2.316 108 D HA 0.118 4.758 4.640 0.000 0.000 0.245 108 D C 0.385 176.712 176.300 0.046 0.000 1.171 108 D CA -0.050 53.978 54.000 0.047 0.000 0.856 108 D CB 0.815 41.639 40.800 0.042 0.000 1.090 108 D HN 0.391 nan 8.370 nan 0.000 0.476 109 L N 3.373 124.613 121.223 0.030 0.000 2.591 109 L HA 0.318 4.658 4.340 0.000 0.000 0.228 109 L C 1.317 178.200 176.870 0.022 0.000 1.133 109 L CA 0.201 55.056 54.840 0.025 0.000 0.880 109 L CB -0.908 41.155 42.059 0.008 0.000 1.033 109 L HN 0.748 nan 8.230 nan 0.000 0.450 110 G N -0.450 108.363 108.800 0.022 0.000 2.814 110 G HA2 0.006 3.966 3.960 0.000 0.000 0.677 110 G HA3 0.006 3.966 3.960 0.000 0.000 0.677 110 G C 0.642 175.550 174.900 0.014 0.000 1.429 110 G CA -0.372 44.740 45.100 0.019 0.000 0.868 110 G HN 0.558 nan 8.290 nan 0.000 0.553 111 G N -1.101 107.706 108.800 0.013 0.000 2.168 111 G HA2 0.327 4.287 3.960 0.000 0.000 0.257 111 G HA3 0.327 4.287 3.960 0.000 0.000 0.257 111 G C 1.946 176.852 174.900 0.010 0.000 0.997 111 G CA 1.039 46.145 45.100 0.011 0.000 0.708 111 G HN 3.170 nan 8.290 nan 0.000 0.520 112 G N -1.659 107.148 108.800 0.011 0.000 2.199 112 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 112 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 112 G C 0.460 175.366 174.900 0.009 0.000 0.982 112 G CA 0.531 45.638 45.100 0.011 0.000 0.632 112 G HN 1.329 nan 8.290 nan 0.000 0.529 113 L N 1.844 123.072 121.223 0.008 0.000 2.331 113 L HA 0.521 4.861 4.340 0.000 0.000 0.278 113 L C 0.178 177.048 176.870 0.001 0.000 1.106 113 L CA 0.077 54.919 54.840 0.002 0.000 0.824 113 L CB 1.278 43.336 42.059 -0.002 0.000 1.142 113 L HN 0.140 nan 8.230 nan 0.000 0.443 114 T N 3.693 118.244 114.554 -0.005 0.000 2.824 114 T HA 0.357 4.707 4.350 0.000 0.000 0.282 114 T C -0.371 174.304 174.700 -0.041 0.000 0.993 114 T CA -0.594 61.502 62.100 -0.008 0.000 0.967 114 T CB 1.642 70.511 68.868 0.002 0.000 0.960 114 T HN 0.470 nan 8.240 nan 0.000 0.441 115 R N 3.017 123.481 120.500 -0.061 0.000 2.229 115 R HA 0.553 4.893 4.340 0.000 0.000 0.328 115 R C -0.936 175.258 176.300 -0.177 0.000 1.009 115 R CA -0.765 55.231 56.100 -0.173 0.000 0.864 115 R CB 0.334 30.493 30.300 -0.234 0.000 1.085 115 R HN 0.431 nan 8.270 nan 0.000 0.453 116 L N 5.855 126.953 121.223 -0.208 0.000 2.289 116 L HA 0.472 4.812 4.340 0.000 0.000 0.285 116 L C -1.634 175.098 176.870 -0.229 0.000 1.049 116 L CA -0.227 54.540 54.840 -0.122 0.000 0.804 116 L CB 0.787 42.813 42.059 -0.054 0.000 1.195 116 L HN 0.640 nan 8.230 nan 0.000 0.428 117 W N 4.862 126.086 121.300 -0.126 0.000 2.475 117 W HA 0.665 5.325 4.660 0.000 0.000 0.317 117 W C -0.904 175.375 176.519 -0.399 0.000 1.046 117 W CA -0.747 56.425 57.345 -0.289 0.000 1.215 117 W CB 2.032 31.288 29.460 -0.339 0.000 1.335 117 W HN 0.221 nan 8.180 nan 0.000 0.471 118 V N 5.136 124.973 119.914 -0.128 0.000 2.380 118 V HA 0.226 4.347 4.120 0.000 0.000 0.286 118 V C -0.228 175.780 176.094 -0.144 0.000 1.015 118 V CA -0.985 61.245 62.300 -0.116 0.000 0.834 118 V CB 0.407 32.226 31.823 -0.007 0.000 1.009 118 V HN 0.424 nan 8.190 nan 0.000 0.428 119 H N 3.295 122.436 119.070 0.118 0.000 2.502 119 H HA 0.694 5.250 4.556 0.000 0.000 0.327 119 H C -0.513 174.854 175.328 0.065 0.000 1.099 119 H CA -0.378 55.708 56.048 0.063 0.000 1.323 119 H CB 2.276 32.031 29.762 -0.011 0.000 1.450 119 H HN 0.386 nan 8.280 nan 0.000 0.502 120 V N 1.188 121.217 119.914 0.190 0.000 2.823 120 V HA 0.393 4.513 4.120 0.000 0.000 0.312 120 V C 0.353 176.561 176.094 0.190 0.000 1.072 120 V CA -1.304 61.112 62.300 0.193 0.000 0.937 120 V CB 1.831 33.819 31.823 0.275 0.000 1.013 120 V HN 0.994 nan 8.190 nan 0.000 0.430 121 A N 1.572 124.481 122.820 0.148 0.000 2.580 121 A HA 0.070 4.391 4.320 0.000 0.000 0.244 121 A C 0.486 178.192 177.584 0.203 0.000 1.045 121 A CA 0.334 52.450 52.037 0.131 0.000 0.761 121 A CB -0.263 18.795 19.000 0.096 0.000 0.962 121 A HN 0.885 nan 8.150 nan 0.000 0.512 122 D N 3.017 123.547 120.400 0.216 0.000 2.801 122 D HA 0.239 4.879 4.640 0.000 0.000 0.232 122 D C 1.186 177.698 176.300 0.354 0.000 1.128 122 D CA 0.010 54.187 54.000 0.295 0.000 1.003 122 D CB -0.205 40.722 40.800 0.213 0.000 1.110 122 D HN 0.176 nan 8.370 nan 0.000 0.477 123 V N 1.309 121.354 119.914 0.220 0.000 2.407 123 V HA -0.231 3.889 4.120 0.000 0.000 0.248 123 V C 2.508 178.647 176.094 0.076 0.000 1.055 123 V CA 1.803 64.164 62.300 0.101 0.000 1.049 123 V CB -0.648 31.163 31.823 -0.020 0.000 0.662 123 V HN 0.509 nan 8.190 nan 0.000 0.455 124 A N -0.007 122.891 122.820 0.129 0.000 2.125 124 A HA 0.013 4.334 4.320 0.000 0.000 0.219 124 A C 2.320 179.952 177.584 0.081 0.000 1.156 124 A CA 1.583 53.679 52.037 0.098 0.000 0.671 124 A CB -0.509 18.578 19.000 0.144 0.000 0.794 124 A HN 0.570 nan 8.150 nan 0.000 0.459 125 A N -0.629 122.263 122.820 0.120 0.000 2.066 125 A HA 0.177 4.497 4.320 0.000 0.000 0.218 125 A C 1.860 179.415 177.584 -0.048 0.000 1.157 125 A CA 1.227 53.323 52.037 0.099 0.000 0.670 125 A CB -0.279 18.895 19.000 0.290 0.000 0.804 125 A HN 0.488 nan 8.150 nan 0.000 0.453 126 L N -1.196 119.957 121.223 -0.116 0.000 2.609 126 L HA 0.188 4.529 4.340 0.000 0.000 0.230 126 L C -0.476 176.337 176.870 -0.094 0.000 1.087 126 L CA 0.019 54.744 54.840 -0.192 0.000 0.874 126 L CB 0.697 42.565 42.059 -0.319 0.000 1.114 126 L HN 0.034 nan 8.230 nan 0.000 0.488 127 V N 1.017 120.905 119.914 -0.044 0.000 2.305 127 V HA 0.548 4.668 4.120 0.000 0.000 0.275 127 V C 0.319 176.417 176.094 0.006 0.000 1.020 127 V CA -0.740 61.550 62.300 -0.017 0.000 0.811 127 V CB 1.046 32.865 31.823 -0.007 0.000 1.031 127 V HN 0.165 nan 8.190 nan 0.000 0.439 128 A N 6.551 129.376 122.820 0.008 0.000 2.322 128 A HA 0.799 5.119 4.320 0.000 0.000 0.269 128 A C -2.523 175.085 177.584 0.039 0.000 1.094 128 A CA -1.595 50.457 52.037 0.024 0.000 0.807 128 A CB 0.249 19.260 19.000 0.018 0.000 1.047 128 A HN 0.586 nan 8.150 nan 0.000 0.487 129 P HA 0.143 nan 4.420 nan 0.000 0.265 129 P C 0.015 177.361 177.300 0.076 0.000 1.193 129 P CA 1.171 64.322 63.100 0.085 0.000 0.765 129 P CB 0.415 32.175 31.700 0.099 0.000 0.823 130 D N 0.151 120.598 120.400 0.078 0.000 2.946 130 D HA -0.165 4.475 4.640 0.000 0.000 0.202 130 D C -0.196 176.118 176.300 0.024 0.000 1.068 130 D CA 1.566 55.595 54.000 0.048 0.000 1.011 130 D CB -1.368 39.468 40.800 0.060 0.000 1.105 130 D HN 0.435 nan 8.370 nan 0.000 0.425 131 S N -1.371 114.343 115.700 0.024 0.000 2.600 131 S HA 0.478 4.949 4.470 0.000 0.000 0.265 131 S C -1.467 173.132 174.600 -0.001 0.000 1.325 131 S CA -0.605 57.600 58.200 0.009 0.000 1.002 131 S CB 1.506 64.710 63.200 0.006 0.000 0.921 131 S HN -0.104 nan 8.310 nan 0.000 0.554 132 P HA -0.078 nan 4.420 nan 0.000 0.216 132 P C 1.157 178.446 177.300 -0.019 0.000 1.150 132 P CA 0.871 63.961 63.100 -0.018 0.000 0.843 132 P CB -0.120 31.568 31.700 -0.019 0.000 0.787 133 L N -0.641 120.574 121.223 -0.012 0.000 2.056 133 L HA -0.160 4.180 4.340 0.000 0.000 0.207 133 L C 2.198 179.077 176.870 0.014 0.000 1.078 133 L CA 1.896 56.731 54.840 -0.008 0.000 0.749 133 L CB -1.693 40.358 42.059 -0.012 0.000 0.901 133 L HN -0.039 nan 8.230 nan 0.000 0.433 134 D N -0.290 120.130 120.400 0.034 0.000 2.097 134 D HA -0.175 4.465 4.640 0.000 0.000 0.195 134 D C 2.228 178.549 176.300 0.035 0.000 0.989 134 D CA 1.220 55.278 54.000 0.096 0.000 0.827 134 D CB -0.028 40.830 40.800 0.097 0.000 0.966 134 D HN 0.233 nan 8.370 nan 0.000 0.456 135 L N -0.051 121.154 121.223 -0.030 0.000 2.017 135 L HA -0.137 4.203 4.340 0.000 0.000 0.208 135 L C 2.515 179.307 176.870 -0.130 0.000 1.073 135 L CA 1.351 56.132 54.840 -0.098 0.000 0.745 135 L CB -0.552 41.464 42.059 -0.072 0.000 0.894 135 L HN 0.099 nan 8.230 nan 0.000 0.432 136 E N 0.483 120.632 120.200 -0.084 0.000 2.106 136 E HA -0.165 4.185 4.350 0.000 0.000 0.192 136 E C 2.080 178.615 176.600 -0.109 0.000 0.984 136 E CA 1.370 57.717 56.400 -0.088 0.000 0.806 136 E CB -0.063 29.603 29.700 -0.057 0.000 0.750 136 E HN 0.364 nan 8.360 nan 0.000 0.458 137 A N 0.777 123.550 122.820 -0.078 0.000 1.898 137 A HA -0.158 4.162 4.320 0.000 0.000 0.216 137 A C 2.294 179.703 177.584 -0.292 0.000 1.181 137 A CA 1.627 53.636 52.037 -0.047 0.000 0.620 137 A CB -0.566 18.524 19.000 0.150 0.000 0.819 137 A HN 0.242 nan 8.150 nan 0.000 0.442 138 R N -0.386 119.737 120.500 -0.628 0.000 2.120 138 R HA -0.085 4.255 4.340 0.000 0.000 0.234 138 R C 2.157 178.135 176.300 -0.536 0.000 1.123 138 R CA 1.255 56.671 56.100 -1.139 0.000 0.975 138 R CB -0.329 29.380 30.300 -0.985 0.000 0.866 138 R HN 0.451 nan 8.270 nan 0.000 0.446 139 A N 0.617 123.245 122.820 -0.320 0.000 2.067 139 A HA -0.096 4.224 4.320 0.000 0.000 0.219 139 A C 1.929 179.422 177.584 -0.153 0.000 1.158 139 A CA 0.995 52.915 52.037 -0.196 0.000 0.661 139 A CB -0.150 18.768 19.000 -0.138 0.000 0.801 139 A HN 0.331 nan 8.150 nan 0.000 0.452 140 R N -2.407 118.001 120.500 -0.154 0.000 2.175 140 R HA 0.247 4.587 4.340 0.000 0.000 0.202 140 R C 1.760 178.009 176.300 -0.086 0.000 1.018 140 R CA 0.669 56.709 56.100 -0.099 0.000 1.029 140 R CB -0.066 30.187 30.300 -0.079 0.000 0.959 140 R HN 0.589 nan 8.270 nan 0.000 0.480 141 G N 0.833 109.562 108.800 -0.119 0.000 2.396 141 G HA2 -0.339 3.621 3.960 0.000 0.000 0.242 141 G HA3 -0.339 3.621 3.960 0.000 0.000 0.242 141 G C 0.175 175.093 174.900 0.030 0.000 1.069 141 G CA 0.227 45.295 45.100 -0.053 0.000 0.633 141 G HN 0.737 nan 8.290 nan 0.000 0.517 142 A N -1.909 120.917 122.820 0.009 0.000 2.586 142 A HA 0.734 5.054 4.320 0.000 0.000 0.291 142 A C -0.195 177.374 177.584 -0.025 0.000 1.062 142 A CA 0.723 52.775 52.037 0.025 0.000 0.666 142 A CB 0.229 19.260 19.000 0.052 0.000 1.281 142 A HN 1.026 nan 8.150 nan 0.000 0.421 143 T N 0.969 115.491 114.554 -0.054 0.000 2.919 143 T HA 0.397 4.747 4.350 0.000 0.000 0.302 143 T C -0.139 174.403 174.700 -0.265 0.000 1.031 143 T CA 0.424 62.393 62.100 -0.218 0.000 1.127 143 T CB 0.205 68.846 68.868 -0.379 0.000 0.952 143 T HN 0.819 nan 8.240 nan 0.000 0.540 144 L N 4.876 125.925 121.223 -0.290 0.000 2.259 144 L HA 0.377 4.718 4.340 0.000 0.000 0.288 144 L C -1.355 175.365 176.870 -0.250 0.000 1.051 144 L CA -0.468 54.268 54.840 -0.174 0.000 0.824 144 L CB -0.073 41.932 42.059 -0.091 0.000 1.206 144 L HN 0.559 nan 8.230 nan 0.000 0.429 145 Y N 6.159 126.473 120.300 0.024 0.000 2.751 145 Y HA 0.398 4.949 4.550 0.000 0.000 0.333 145 Y C -0.037 175.880 175.900 0.029 0.000 1.122 145 Y CA -0.389 57.726 58.100 0.024 0.000 1.367 145 Y CB 0.226 38.703 38.460 0.029 0.000 1.242 145 Y HN 0.436 nan 8.280 nan 0.000 0.505 146 L N 4.582 125.882 121.223 0.128 0.000 2.399 146 L HA 0.323 4.663 4.340 0.000 0.000 0.265 146 L C -1.354 175.565 176.870 0.082 0.000 1.089 146 L CA -2.033 52.870 54.840 0.105 0.000 0.802 146 L CB 1.041 43.141 42.059 0.068 0.000 1.180 146 L HN 0.253 nan 8.230 nan 0.000 0.454 147 P HA -0.169 nan 4.420 nan 0.000 0.218 147 P C 0.589 177.821 177.300 -0.112 0.000 1.148 147 P CA 1.185 64.252 63.100 -0.055 0.000 0.822 147 P CB 0.110 31.709 31.700 -0.167 0.000 0.784 148 D N -1.328 119.004 120.400 -0.113 0.000 2.366 148 D HA 0.010 4.650 4.640 0.000 0.000 0.205 148 D C 0.798 177.080 176.300 -0.029 0.000 1.022 148 D CA 0.317 54.262 54.000 -0.091 0.000 0.868 148 D CB 0.223 40.965 40.800 -0.097 0.000 0.953 148 D HN 0.273 nan 8.370 nan 0.000 0.514 149 R N -1.691 118.807 120.500 -0.004 0.000 2.728 149 R HA 0.512 4.852 4.340 0.000 0.000 0.274 149 R C -1.729 174.576 176.300 0.009 0.000 1.032 149 R CA -0.778 55.323 56.100 0.002 0.000 0.866 149 R CB 0.522 30.812 30.300 -0.017 0.000 1.263 149 R HN -0.231 nan 8.270 nan 0.000 0.475 150 T N 1.906 116.455 114.554 -0.008 0.000 2.807 150 T HA 0.552 4.902 4.350 0.000 0.000 0.279 150 T C -0.653 173.978 174.700 -0.114 0.000 0.993 150 T CA -0.553 61.501 62.100 -0.075 0.000 0.970 150 T CB 0.955 69.798 68.868 -0.041 0.000 0.950 150 T HN 0.371 nan 8.240 nan 0.000 0.441 151 I N 3.160 123.629 120.570 -0.170 0.000 2.428 151 I HA 0.399 4.570 4.170 0.000 0.000 0.279 151 I C 1.116 177.126 176.117 -0.178 0.000 1.040 151 I CA -0.292 60.928 61.300 -0.134 0.000 1.171 151 I CB 0.933 38.874 38.000 -0.099 0.000 1.312 151 I HN 0.745 nan 8.210 nan 0.000 0.470 155 P HA 0.031 nan 4.420 nan 0.000 0.266 155 P C -0.300 176.990 177.300 -0.016 0.000 1.193 155 P CA -0.035 63.051 63.100 -0.023 0.000 0.770 155 P CB 0.517 32.203 31.700 -0.024 0.000 0.836 156 D N 1.928 122.319 120.400 -0.015 0.000 2.182 156 D HA -0.156 4.484 4.640 0.000 0.000 0.201 156 D C 1.390 177.693 176.300 0.005 0.000 0.986 156 D CA 1.449 55.445 54.000 -0.006 0.000 0.847 156 D CB -0.130 40.666 40.800 -0.007 0.000 0.942 156 D HN 0.507 nan 8.370 nan 0.000 0.467 157 E N 0.717 120.918 120.200 0.001 0.000 2.085 157 E HA -0.130 4.220 4.350 0.000 0.000 0.194 157 E C 2.171 178.780 176.600 0.015 0.000 0.994 157 E CA 0.301 56.706 56.400 0.008 0.000 0.801 157 E CB -0.298 29.399 29.700 -0.005 0.000 0.743 157 E HN 0.258 nan 8.360 nan 0.000 0.453 158 L N 0.268 121.491 121.223 -0.000 0.000 2.027 158 L HA -0.174 4.166 4.340 0.000 0.000 0.206 158 L C 2.103 178.997 176.870 0.040 0.000 1.074 158 L CA 1.043 55.882 54.840 -0.002 0.000 0.745 158 L CB -0.126 41.921 42.059 -0.021 0.000 0.898 158 L HN 0.052 nan 8.230 nan 0.000 0.433 159 V N 0.424 120.359 119.914 0.035 0.000 2.332 159 V HA -0.328 3.793 4.120 0.000 0.000 0.248 159 V C 2.818 178.952 176.094 0.065 0.000 1.055 159 V CA 1.780 64.110 62.300 0.049 0.000 1.038 159 V CB -1.266 30.577 31.823 0.033 0.000 0.651 159 V HN 0.616 nan 8.190 nan 0.000 0.450 160 A N 0.814 123.670 122.820 0.061 0.000 1.972 160 A HA -0.220 4.100 4.320 0.000 0.000 0.219 160 A C 2.275 179.962 177.584 0.172 0.000 1.169 160 A CA 2.002 54.082 52.037 0.071 0.000 0.635 160 A CB -0.365 18.672 19.000 0.061 0.000 0.810 160 A HN 0.736 nan 8.150 nan 0.000 0.446 161 K N -1.591 118.933 120.400 0.206 0.000 2.352 161 K HA 0.428 4.748 4.320 0.000 0.000 0.194 161 K C 1.494 178.332 176.600 0.397 0.000 1.038 161 K CA 0.897 57.377 56.287 0.323 0.000 1.023 161 K CB 0.038 32.658 32.500 0.199 0.000 0.840 161 K HN 0.224 nan 8.250 nan 0.000 0.519 162 A N 1.734 124.735 122.820 0.302 0.000 2.140 162 A HA 0.284 4.604 4.320 0.000 0.000 0.209 162 A C 1.218 178.908 177.584 0.176 0.000 1.181 162 A CA 0.222 52.457 52.037 0.331 0.000 0.824 162 A CB -0.189 18.996 19.000 0.308 0.000 0.879 162 A HN 0.337 nan 8.150 nan 0.000 0.480 163 G N 0.553 109.424 108.800 0.119 0.000 2.265 163 G HA2 0.368 4.328 3.960 0.000 0.000 0.240 163 G HA3 0.368 4.328 3.960 0.000 0.000 0.240 163 G C 0.010 174.930 174.900 0.033 0.000 1.270 163 G CA -0.158 44.977 45.100 0.060 0.000 0.901 163 G HN 0.383 nan 8.290 nan 0.000 0.507 164 L N 2.103 123.338 121.223 0.020 0.000 2.416 164 L HA 0.358 4.698 4.340 0.000 0.000 0.272 164 L C 1.597 178.447 176.870 -0.034 0.000 1.161 164 L CA 0.899 55.733 54.840 -0.009 0.000 0.845 164 L CB 0.915 42.976 42.059 0.002 0.000 1.119 164 L HN 0.963 nan 8.230 nan 0.000 0.464 165 G N 2.688 111.454 108.800 -0.058 0.000 2.179 165 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 165 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 165 G C 0.684 175.525 174.900 -0.098 0.000 0.977 165 G CA 0.267 45.322 45.100 -0.075 0.000 0.641 165 G HN 0.563 nan 8.290 nan 0.000 0.533 166 L N 0.097 121.239 121.223 -0.135 0.000 2.418 166 L HA 0.273 4.613 4.340 0.000 0.000 0.218 166 L C 1.117 177.692 176.870 -0.492 0.000 1.125 166 L CA 0.474 55.141 54.840 -0.288 0.000 0.835 166 L CB -0.146 41.719 42.059 -0.322 0.000 0.953 166 L HN 0.304 nan 8.230 nan 0.000 0.454 167 H N -1.432 117.615 119.070 -0.038 0.000 2.821 167 H HA 0.118 4.674 4.556 0.000 0.000 0.373 167 H C 0.180 175.469 175.328 -0.065 0.000 1.165 167 H CA -0.556 55.466 56.048 -0.043 0.000 1.154 167 H CB 1.907 31.645 29.762 -0.039 0.000 1.765 167 H HN -0.099 nan 8.280 nan 0.000 0.549 168 E N 1.139 121.378 120.200 0.066 0.000 2.108 168 E HA -0.146 4.204 4.350 0.000 0.000 0.203 168 E C 0.259 176.833 176.600 -0.044 0.000 1.022 168 E CA 1.701 58.096 56.400 -0.008 0.000 0.823 168 E CB 0.265 29.959 29.700 -0.011 0.000 0.744 168 E HN 0.316 nan 8.360 nan 0.000 0.456 169 V N -1.846 118.045 119.914 -0.039 0.000 2.823 169 V HA 0.677 4.798 4.120 0.000 0.000 0.312 169 V C -0.646 175.391 176.094 -0.095 0.000 1.072 169 V CA -0.894 61.350 62.300 -0.093 0.000 0.937 169 V CB 2.138 33.898 31.823 -0.105 0.000 1.013 169 V HN 0.035 nan 8.190 nan 0.000 0.430 170 S N 4.344 119.954 115.700 -0.150 0.000 2.536 170 S HA 0.745 5.215 4.470 0.000 0.000 0.287 170 S C -2.969 171.475 174.600 -0.261 0.000 1.101 170 S CA -1.086 57.009 58.200 -0.176 0.000 0.950 170 S CB 2.355 65.480 63.200 -0.124 0.000 1.056 170 S HN 0.887 nan 8.310 nan 0.000 0.481 171 P HA 0.678 nan 4.420 nan 0.000 0.281 171 P C -1.274 175.852 177.300 -0.290 0.000 1.249 171 P CA -0.428 62.425 63.100 -0.410 0.000 0.810 171 P CB 1.250 32.498 31.700 -0.752 0.000 1.008 172 A N 2.027 124.742 122.820 -0.176 0.000 2.601 172 A HA 0.569 4.889 4.320 0.000 0.000 0.291 172 A C -1.786 175.797 177.584 -0.002 0.000 1.075 172 A CA -0.757 51.248 52.037 -0.053 0.000 0.671 172 A CB 1.038 20.019 19.000 -0.032 0.000 1.277 172 A HN 0.562 nan 8.150 nan 0.000 0.417 173 L N 1.487 122.737 121.223 0.045 0.000 2.280 173 L HA 0.696 5.036 4.340 0.000 0.000 0.287 173 L C -0.586 176.293 176.870 0.015 0.000 1.023 173 L CA -0.067 54.764 54.840 -0.015 0.000 0.819 173 L CB 1.307 43.284 42.059 -0.135 0.000 1.212 173 L HN 0.693 nan 8.230 nan 0.000 0.420 174 S N 5.010 120.746 115.700 0.060 0.000 2.578 174 S HA 0.702 5.172 4.470 0.000 0.000 0.301 174 S C -0.638 173.998 174.600 0.059 0.000 1.091 174 S CA -0.526 57.764 58.200 0.150 0.000 1.032 174 S CB 1.945 65.388 63.200 0.404 0.000 1.064 174 S HN 0.454 nan 8.310 nan 0.000 0.508 175 I N 1.867 122.448 120.570 0.019 0.000 2.433 175 I HA 0.482 4.652 4.170 0.000 0.000 0.292 175 I C -0.293 175.733 176.117 -0.152 0.000 1.001 175 I CA -0.375 60.861 61.300 -0.106 0.000 1.119 175 I CB 1.352 39.285 38.000 -0.112 0.000 1.289 175 I HN 0.817 nan 8.210 nan 0.000 0.438 176 C N 5.465 124.563 119.300 -0.336 0.000 2.498 176 C HA 0.922 5.382 4.460 0.000 0.000 0.316 176 C C -0.914 173.824 174.990 -0.420 0.000 1.209 176 C CA -0.985 57.658 59.018 -0.625 0.000 1.518 176 C CB 0.456 27.350 27.740 -1.410 0.000 2.147 176 C HN 0.597 nan 8.230 nan 0.000 0.483 177 L N 2.966 123.983 121.223 -0.345 0.000 2.385 177 L HA 0.504 4.844 4.340 0.000 0.000 0.273 177 L C -0.684 176.073 176.870 -0.189 0.000 0.990 177 L CA 0.118 54.834 54.840 -0.207 0.000 0.821 177 L CB 1.608 43.615 42.059 -0.086 0.000 1.279 177 L HN 0.596 nan 8.230 nan 0.000 0.412 178 D N 4.423 124.737 120.400 -0.144 0.000 2.428 178 D HA 0.470 5.110 4.640 0.000 0.000 0.221 178 D C -0.485 175.790 176.300 -0.042 0.000 1.123 178 D CA 0.036 53.975 54.000 -0.102 0.000 0.869 178 D CB 1.033 41.778 40.800 -0.092 0.000 1.032 178 D HN 0.267 nan 8.370 nan 0.000 0.506 179 L N 2.126 123.336 121.223 -0.022 0.000 2.325 179 L HA 0.344 4.684 4.340 0.000 0.000 0.278 179 L C 0.528 177.404 176.870 0.011 0.000 1.023 179 L CA -1.138 53.712 54.840 0.016 0.000 0.811 179 L CB 1.306 43.385 42.059 0.033 0.000 1.249 179 L HN 0.225 nan 8.230 nan 0.000 0.431 180 D N 1.561 121.974 120.400 0.020 0.000 2.432 180 D HA 0.313 4.953 4.640 0.000 0.000 0.258 180 D C -2.126 174.183 176.300 0.015 0.000 1.146 180 D CA -2.106 51.903 54.000 0.015 0.000 1.015 180 D CB 0.360 41.170 40.800 0.016 0.000 1.107 180 D HN 0.130 nan 8.370 nan 0.000 0.529 181 P HA -0.108 nan 4.420 nan 0.000 0.220 181 P C -0.041 177.263 177.300 0.008 0.000 1.144 181 P CA 1.243 64.348 63.100 0.009 0.000 0.800 181 P CB 0.110 31.815 31.700 0.008 0.000 0.772 182 D N -2.718 117.687 120.400 0.010 0.000 2.333 182 D HA 0.188 4.828 4.640 0.000 0.000 0.208 182 D C 1.499 177.803 176.300 0.006 0.000 0.984 182 D CA 1.062 55.066 54.000 0.006 0.000 0.873 182 D CB -0.255 40.550 40.800 0.008 0.000 0.935 182 D HN 0.130 nan 8.370 nan 0.000 0.521 183 G N 0.198 109.008 108.800 0.017 0.000 2.184 183 G HA2 -0.237 3.723 3.960 0.000 0.000 0.206 183 G HA3 -0.237 3.723 3.960 0.000 0.000 0.206 183 G C -0.137 174.801 174.900 0.063 0.000 0.995 183 G CA -0.580 44.534 45.100 0.022 0.000 0.651 183 G HN 0.330 nan 8.290 nan 0.000 0.511 184 N N 0.860 119.602 118.700 0.071 0.000 2.529 184 N HA 0.542 5.283 4.740 0.000 0.000 0.278 184 N C 0.299 175.884 175.510 0.126 0.000 1.146 184 N CA 0.219 53.338 53.050 0.115 0.000 0.980 184 N CB 1.134 39.666 38.487 0.076 0.000 1.124 184 N HN 0.482 nan 8.380 nan 0.000 0.458 185 A N 1.667 124.596 122.820 0.182 0.000 2.279 185 A HA 0.125 4.445 4.320 0.000 0.000 0.306 185 A C 0.667 178.257 177.584 0.011 0.000 1.300 185 A CA -0.456 51.629 52.037 0.081 0.000 0.925 185 A CB 0.213 19.217 19.000 0.007 0.000 1.152 185 A HN 0.803 nan 8.150 nan 0.000 0.544 186 E N 1.203 121.399 120.200 -0.007 0.000 2.435 186 E HA 0.289 4.639 4.350 0.000 0.000 0.195 186 E C 0.307 176.883 176.600 -0.039 0.000 1.029 186 E CA 0.819 57.209 56.400 -0.017 0.000 0.865 186 E CB 0.282 29.975 29.700 -0.012 0.000 0.833 186 E HN 0.818 nan 8.360 nan 0.000 0.510 187 A N 0.331 123.112 122.820 -0.065 0.000 2.560 187 A HA 0.397 4.717 4.320 0.000 0.000 0.300 187 A C -1.315 176.201 177.584 -0.115 0.000 1.062 187 A CA -0.671 51.320 52.037 -0.076 0.000 0.767 187 A CB 1.157 20.122 19.000 -0.059 0.000 1.288 187 A HN -0.033 nan 8.150 nan 0.000 0.396 188 V N 2.985 122.833 119.914 -0.109 0.000 2.540 188 V HA 0.619 4.739 4.120 0.000 0.000 0.302 188 V C -0.874 175.181 176.094 -0.066 0.000 1.035 188 V CA -0.586 61.634 62.300 -0.133 0.000 0.873 188 V CB 1.878 33.596 31.823 -0.174 0.000 0.992 188 V HN 0.894 nan 8.190 nan 0.000 0.428 189 D N 2.589 122.891 120.400 -0.162 0.000 2.527 189 D HA 0.664 5.304 4.640 0.000 0.000 0.233 189 D C -1.209 174.868 176.300 -0.372 0.000 1.063 189 D CA -0.280 53.613 54.000 -0.179 0.000 0.880 189 D CB 3.023 43.752 40.800 -0.119 0.000 1.457 189 D HN 0.266 nan 8.370 nan 0.000 0.475 190 V N 2.304 121.843 119.914 -0.624 0.000 2.482 190 V HA 0.524 4.644 4.120 0.000 0.000 0.295 190 V C -0.147 175.745 176.094 -0.337 0.000 1.026 190 V CA -0.659 61.264 62.300 -0.630 0.000 0.856 190 V CB 1.586 32.702 31.823 -1.178 0.000 1.001 190 V HN 0.436 nan 8.190 nan 0.000 0.424 191 L N 2.646 123.804 121.223 -0.108 0.000 2.600 191 L HA 0.756 5.096 4.340 0.000 0.000 0.257 191 L C -1.252 175.630 176.870 0.020 0.000 1.048 191 L CA -1.149 53.687 54.840 -0.007 0.000 0.869 191 L CB 2.236 44.335 42.059 0.067 0.000 1.482 191 L HN 0.324 nan 8.230 nan 0.000 0.408 192 L N 1.687 122.921 121.223 0.017 0.000 2.349 192 L HA 0.627 4.967 4.340 0.000 0.000 0.275 192 L C 0.314 177.175 176.870 -0.015 0.000 1.115 192 L CA -0.019 54.822 54.840 0.002 0.000 0.820 192 L CB 1.267 43.328 42.059 0.004 0.000 1.135 192 L HN 0.943 nan 8.230 nan 0.000 0.445 193 T N 0.461 114.983 114.554 -0.055 0.000 2.804 193 T HA 0.592 4.942 4.350 0.000 0.000 0.290 193 T C -0.720 173.872 174.700 -0.180 0.000 1.099 193 T CA -1.055 60.971 62.100 -0.123 0.000 1.011 193 T CB 2.402 71.163 68.868 -0.177 0.000 1.291 193 T HN 0.590 nan 8.240 nan 0.000 0.523 194 R N 0.658 121.019 120.500 -0.231 0.000 2.514 194 R HA 0.678 5.018 4.340 0.000 0.000 0.296 194 R C -1.212 174.895 176.300 -0.321 0.000 1.012 194 R CA -0.713 55.241 56.100 -0.244 0.000 0.897 194 R CB 1.726 31.916 30.300 -0.183 0.000 1.184 194 R HN 0.836 nan 8.270 nan 0.000 0.440 195 V N 0.639 120.339 119.914 -0.357 0.000 3.074 195 V HA 0.657 4.777 4.120 0.000 0.000 0.314 195 V C -1.128 174.780 176.094 -0.310 0.000 1.117 195 V CA -1.148 60.892 62.300 -0.433 0.000 1.014 195 V CB 2.011 33.431 31.823 -0.673 0.000 1.057 195 V HN 0.818 nan 8.190 nan 0.000 0.438 196 K N 2.006 122.222 120.400 -0.306 0.000 2.347 196 K HA 0.747 5.067 4.320 0.000 0.000 0.262 196 K C -0.896 175.540 176.600 -0.273 0.000 1.052 196 K CA -0.538 55.606 56.287 -0.238 0.000 0.946 196 K CB 1.685 34.058 32.500 -0.211 0.000 1.220 196 K HN 0.813 nan 8.250 nan 0.000 0.450 197 V N 3.118 122.895 119.914 -0.229 0.000 2.483 197 V HA 0.279 4.399 4.120 0.000 0.000 0.295 197 V C -1.106 174.859 176.094 -0.216 0.000 1.035 197 V CA -0.343 61.816 62.300 -0.235 0.000 0.896 197 V CB 1.524 33.253 31.823 -0.156 0.000 0.986 197 V HN 0.889 nan 8.190 nan 0.000 0.447 198 Q N 5.724 125.342 119.800 -0.304 0.000 2.282 198 Q HA 0.575 4.915 4.340 0.000 0.000 0.260 198 Q C -0.899 175.096 176.000 -0.008 0.000 0.964 198 Q CA -0.598 55.088 55.803 -0.195 0.000 0.880 198 Q CB 2.414 30.945 28.738 -0.345 0.000 1.286 198 Q HN 0.711 nan 8.270 nan 0.000 0.445 199 R N 2.081 122.601 120.500 0.034 0.000 2.368 199 R HA 0.633 4.973 4.340 0.000 0.000 0.302 199 R C -0.671 175.686 176.300 0.094 0.000 1.002 199 R CA -0.351 55.783 56.100 0.057 0.000 0.929 199 R CB 0.921 31.220 30.300 -0.001 0.000 1.073 199 R HN 0.450 nan 8.270 nan 0.000 0.464 200 L N 1.070 122.341 121.223 0.080 0.000 2.424 200 L HA 0.620 4.960 4.340 0.000 0.000 0.258 200 L C -0.446 176.380 176.870 -0.073 0.000 0.995 200 L CA -1.149 53.711 54.840 0.034 0.000 0.821 200 L CB 2.201 44.307 42.059 0.079 0.000 1.383 200 L HN 0.675 nan 8.230 nan 0.000 0.410 201 A N 0.136 122.905 122.820 -0.085 0.000 2.286 201 A HA 0.424 4.744 4.320 0.000 0.000 0.286 201 A C 0.210 177.728 177.584 -0.109 0.000 1.097 201 A CA -0.044 51.918 52.037 -0.125 0.000 0.821 201 A CB 0.214 19.178 19.000 -0.060 0.000 1.076 201 A HN 0.675 nan 8.150 nan 0.000 0.490 202 Y N 0.005 120.294 120.300 -0.018 0.000 2.151 202 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 202 Y C 2.631 178.496 175.900 -0.060 0.000 1.166 202 Y CA 2.331 60.416 58.100 -0.026 0.000 1.163 202 Y CB -0.171 38.281 38.460 -0.013 0.000 0.974 202 Y HN 0.644 nan 8.280 nan 0.000 0.511 203 Q N 0.093 119.953 119.800 0.100 0.000 2.224 203 Q HA -0.176 4.164 4.340 0.000 0.000 0.203 203 Q C 1.891 177.861 176.000 -0.050 0.000 0.970 203 Q CA 1.387 57.200 55.803 0.017 0.000 0.865 203 Q CB -0.247 28.497 28.738 0.009 0.000 0.922 203 Q HN 0.671 nan 8.270 nan 0.000 0.445 204 E N 0.640 120.798 120.200 -0.071 0.000 2.112 204 E HA -0.050 4.300 4.350 0.000 0.000 0.190 204 E C 1.930 178.379 176.600 -0.253 0.000 0.979 204 E CA 0.741 57.065 56.400 -0.126 0.000 0.814 204 E CB -0.018 29.625 29.700 -0.094 0.000 0.762 204 E HN 0.291 nan 8.360 nan 0.000 0.460 205 A N 1.220 123.883 122.820 -0.261 0.000 1.930 205 A HA -0.230 4.090 4.320 0.000 0.000 0.217 205 A C 2.164 179.462 177.584 -0.476 0.000 1.175 205 A CA 1.453 53.178 52.037 -0.521 0.000 0.627 205 A CB -0.338 18.545 19.000 -0.195 0.000 0.815 205 A HN 0.097 nan 8.150 nan 0.000 0.443 206 Q N 0.163 119.840 119.800 -0.205 0.000 2.084 206 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 206 Q C 2.015 177.913 176.000 -0.170 0.000 0.978 206 Q CA 2.190 57.911 55.803 -0.136 0.000 0.844 206 Q CB -0.667 28.038 28.738 -0.055 0.000 0.898 206 Q HN 0.538 nan 8.270 nan 0.000 0.426 207 A N 0.382 123.094 122.820 -0.180 0.000 1.933 207 A HA -0.190 4.130 4.320 0.000 0.000 0.218 207 A C 2.093 179.555 177.584 -0.203 0.000 1.175 207 A CA 1.573 53.517 52.037 -0.154 0.000 0.628 207 A CB -0.440 18.483 19.000 -0.128 0.000 0.814 207 A HN 0.412 nan 8.150 nan 0.000 0.444 208 R N -0.795 119.484 120.500 -0.368 0.000 2.090 208 R HA 0.032 4.372 4.340 0.000 0.000 0.228 208 R C 2.152 178.294 176.300 -0.265 0.000 1.110 208 R CA 1.006 56.862 56.100 -0.407 0.000 0.973 208 R CB -0.441 29.354 30.300 -0.841 0.000 0.869 208 R HN 0.510 nan 8.270 nan 0.000 0.440 209 L N 1.840 122.890 121.223 -0.289 0.000 2.083 209 L HA -0.160 4.180 4.340 0.000 0.000 0.209 209 L C 1.301 178.151 176.870 -0.033 0.000 1.083 209 L CA 1.998 56.803 54.840 -0.059 0.000 0.752 209 L CB -0.451 41.591 42.059 -0.029 0.000 0.899 209 L HN 0.248 nan 8.230 nan 0.000 0.433 210 E N -0.093 120.068 120.200 -0.065 0.000 2.338 210 E HA -0.096 4.254 4.350 0.000 0.000 0.197 210 E C 1.815 178.399 176.600 -0.027 0.000 1.007 210 E CA 0.838 57.215 56.400 -0.038 0.000 0.849 210 E CB -0.014 29.660 29.700 -0.044 0.000 0.774 210 E HN 0.610 nan 8.360 nan 0.000 0.506 211 A N 0.362 123.161 122.820 -0.034 0.000 2.275 211 A HA 0.316 4.636 4.320 0.000 0.000 0.212 211 A C 1.582 179.171 177.584 0.009 0.000 1.201 211 A CA 0.572 52.600 52.037 -0.015 0.000 0.843 211 A CB -0.113 18.872 19.000 -0.024 0.000 0.873 211 A HN 0.268 nan 8.150 nan 0.000 0.492 212 G N -0.127 108.685 108.800 0.020 0.000 2.160 212 G HA2 -0.228 3.732 3.960 0.000 0.000 0.244 212 G HA3 -0.228 3.732 3.960 0.000 0.000 0.244 212 G C -0.229 174.713 174.900 0.069 0.000 1.022 212 G CA 0.336 45.462 45.100 0.042 0.000 0.741 212 G HN 0.636 nan 8.290 nan 0.000 0.508 213 E N 0.343 120.605 120.200 0.104 0.000 2.301 213 E HA 0.402 4.753 4.350 0.000 0.000 0.275 213 E C 0.204 176.930 176.600 0.210 0.000 1.030 213 E CA -0.540 55.957 56.400 0.162 0.000 0.852 213 E CB 0.872 30.692 29.700 0.200 0.000 1.060 213 E HN 0.297 nan 8.360 nan 0.000 0.401 214 E N 2.718 122.982 120.200 0.107 0.000 2.283 214 E HA 0.118 4.468 4.350 0.000 0.000 0.267 214 E C -1.674 174.830 176.600 -0.161 0.000 1.045 214 E CA -1.790 54.608 56.400 -0.003 0.000 0.884 214 E CB 0.859 30.565 29.700 0.011 0.000 1.106 214 E HN 0.368 nan 8.360 nan 0.000 0.408 215 P HA 0.038 nan 4.420 nan 0.000 0.249 215 P C 0.848 177.945 177.300 -0.337 0.000 1.229 215 P CA 0.353 63.272 63.100 -0.302 0.000 0.788 215 P CB 0.053 31.621 31.700 -0.220 0.000 1.072 216 F N 0.280 120.189 119.950 -0.068 0.000 2.126 216 F HA -0.173 4.354 4.527 0.000 0.000 0.299 216 F C 2.563 178.346 175.800 -0.027 0.000 1.096 216 F CA 1.075 59.034 58.000 -0.069 0.000 1.255 216 F CB -1.808 37.121 39.000 -0.118 0.000 0.997 216 F HN -0.236 nan 8.300 nan 0.000 0.479 217 V N -0.320 119.675 119.914 0.136 0.000 2.287 217 V HA -0.313 3.808 4.120 0.000 0.000 0.248 217 V C 2.316 178.439 176.094 0.048 0.000 1.053 217 V CA 2.528 64.877 62.300 0.082 0.000 1.027 217 V CB -1.086 30.776 31.823 0.064 0.000 0.646 217 V HN 0.406 nan 8.190 nan 0.000 0.447 218 T N 0.238 114.807 114.554 0.025 0.000 2.777 218 T HA -0.100 4.250 4.350 0.000 0.000 0.266 218 T C 1.894 176.605 174.700 0.019 0.000 1.040 218 T CA 1.401 63.511 62.100 0.018 0.000 1.141 218 T CB -0.291 68.583 68.868 0.010 0.000 0.868 218 T HN 0.278 nan 8.240 nan 0.000 0.444 219 L N 0.820 122.051 121.223 0.015 0.000 2.012 219 L HA -0.154 4.186 4.340 0.000 0.000 0.210 219 L C 3.045 179.941 176.870 0.043 0.000 1.073 219 L CA 1.400 56.257 54.840 0.029 0.000 0.748 219 L CB -0.686 41.392 42.059 0.032 0.000 0.891 219 L HN 0.249 nan 8.230 nan 0.000 0.431 220 A N -0.012 122.840 122.820 0.054 0.000 1.902 220 A HA -0.257 4.064 4.320 0.000 0.000 0.217 220 A C 2.424 180.024 177.584 0.027 0.000 1.181 220 A CA 1.890 53.954 52.037 0.045 0.000 0.623 220 A CB -0.605 18.426 19.000 0.052 0.000 0.818 220 A HN 0.383 nan 8.150 nan 0.000 0.443 221 R N -0.189 120.325 120.500 0.024 0.000 2.073 221 R HA -0.095 4.245 4.340 0.000 0.000 0.234 221 R C 2.004 178.310 176.300 0.010 0.000 1.134 221 R CA 1.726 57.835 56.100 0.015 0.000 0.952 221 R CB -0.472 29.837 30.300 0.016 0.000 0.850 221 R HN 0.511 nan 8.270 nan 0.000 0.433 222 L N 0.376 121.608 121.223 0.014 0.000 2.012 222 L HA -0.159 4.181 4.340 0.000 0.000 0.210 222 L C 2.813 179.687 176.870 0.006 0.000 1.073 222 L CA 1.428 56.275 54.840 0.012 0.000 0.748 222 L CB -0.718 41.352 42.059 0.018 0.000 0.891 222 L HN 0.365 nan 8.230 nan 0.000 0.431 223 A N 0.349 123.175 122.820 0.010 0.000 1.877 223 A HA -0.215 4.105 4.320 0.000 0.000 0.216 223 A C 2.395 179.969 177.584 -0.016 0.000 1.186 223 A CA 1.645 53.683 52.037 0.002 0.000 0.620 223 A CB -0.519 18.489 19.000 0.014 0.000 0.822 223 A HN 0.338 nan 8.150 nan 0.000 0.443 224 R N -0.501 119.992 120.500 -0.010 0.000 2.091 224 R HA -0.102 4.238 4.340 0.000 0.000 0.238 224 R C 2.459 178.742 176.300 -0.029 0.000 1.136 224 R CA 1.287 57.376 56.100 -0.019 0.000 0.959 224 R CB -0.528 29.766 30.300 -0.010 0.000 0.856 224 R HN 0.513 nan 8.270 nan 0.000 0.437 225 A N 0.421 123.228 122.820 -0.023 0.000 1.933 225 A HA -0.172 4.148 4.320 0.000 0.000 0.218 225 A C 2.219 179.773 177.584 -0.051 0.000 1.175 225 A CA 1.772 53.791 52.037 -0.029 0.000 0.628 225 A CB -0.524 18.466 19.000 -0.016 0.000 0.814 225 A HN 0.310 nan 8.150 nan 0.000 0.444 226 S N -0.765 114.901 115.700 -0.056 0.000 2.368 226 S HA -0.155 4.315 4.470 0.000 0.000 0.224 226 S C 2.212 176.736 174.600 -0.126 0.000 1.029 226 S CA 1.281 59.421 58.200 -0.099 0.000 0.988 226 S CB -0.334 62.816 63.200 -0.084 0.000 0.838 226 S HN 0.603 nan 8.310 nan 0.000 0.462 227 R N 0.850 121.293 120.500 -0.096 0.000 2.083 227 R HA -0.106 4.234 4.340 0.000 0.000 0.237 227 R C 2.671 178.912 176.300 -0.099 0.000 1.137 227 R CA 1.817 57.856 56.100 -0.101 0.000 0.951 227 R CB -0.405 29.851 30.300 -0.073 0.000 0.851 227 R HN 0.609 nan 8.270 nan 0.000 0.434 228 R N 0.672 121.125 120.500 -0.077 0.000 2.120 228 R HA -0.102 4.238 4.340 0.000 0.000 0.234 228 R C 2.053 178.302 176.300 -0.084 0.000 1.123 228 R CA 1.290 57.348 56.100 -0.069 0.000 0.975 228 R CB -0.603 29.667 30.300 -0.050 0.000 0.866 228 R HN 0.195 nan 8.270 nan 0.000 0.446 229 L N 0.579 121.740 121.223 -0.102 0.000 2.007 229 L HA -0.031 4.309 4.340 0.000 0.000 0.205 229 L C 2.904 179.682 176.870 -0.153 0.000 1.073 229 L CA 1.446 56.215 54.840 -0.119 0.000 0.744 229 L CB -0.413 41.563 42.059 -0.139 0.000 0.898 229 L HN 0.180 nan 8.230 nan 0.000 0.435 230 R N 0.089 120.471 120.500 -0.197 0.000 2.103 230 R HA -0.213 4.127 4.340 0.000 0.000 0.242 230 R C 2.151 178.347 176.300 -0.173 0.000 1.142 230 R CA 1.695 57.661 56.100 -0.223 0.000 0.960 230 R CB -0.327 29.821 30.300 -0.253 0.000 0.858 230 R HN 0.442 nan 8.270 nan 0.000 0.439 231 E N -0.584 119.533 120.200 -0.139 0.000 2.153 231 E HA -0.123 4.227 4.350 0.000 0.000 0.194 231 E C 1.935 178.474 176.600 -0.101 0.000 0.988 231 E CA 0.995 57.327 56.400 -0.113 0.000 0.811 231 E CB -0.112 29.535 29.700 -0.087 0.000 0.746 231 E HN 0.500 nan 8.360 nan 0.000 0.466 232 G N 0.665 109.408 108.800 -0.095 0.000 2.559 232 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 232 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 232 G C 1.144 175.994 174.900 -0.084 0.000 1.126 232 G CA 0.266 45.320 45.100 -0.076 0.000 0.778 232 G HN 0.052 nan 8.290 nan 0.000 0.543 233 E N -0.056 120.076 120.200 -0.114 0.000 2.499 233 E HA 0.240 4.590 4.350 0.000 0.000 0.199 233 E C 1.526 178.021 176.600 -0.174 0.000 1.016 233 E CA 0.287 56.612 56.400 -0.126 0.000 0.933 233 E CB 0.212 29.829 29.700 -0.138 0.000 1.050 233 E HN 0.361 nan 8.360 nan 0.000 0.462 234 G N 1.038 109.736 108.800 -0.170 0.000 2.157 234 G HA2 -0.277 3.683 3.960 0.000 0.000 0.239 234 G HA3 -0.277 3.683 3.960 0.000 0.000 0.239 234 G C 0.542 175.277 174.900 -0.274 0.000 0.982 234 G CA 0.007 44.967 45.100 -0.233 0.000 0.650 234 G HN 0.466 nan 8.290 nan 0.000 0.527 235 A N 0.243 122.937 122.820 -0.210 0.000 2.492 235 A HA 0.688 5.008 4.320 0.000 0.000 0.254 235 A C 0.436 177.953 177.584 -0.112 0.000 1.091 235 A CA 0.462 52.395 52.037 -0.173 0.000 0.768 235 A CB 0.264 19.162 19.000 -0.170 0.000 1.028 235 A HN 0.904 nan 8.150 nan 0.000 0.498 236 L N 1.702 122.881 121.223 -0.072 0.000 2.333 236 L HA 0.613 4.953 4.340 0.000 0.000 0.263 236 L C 0.468 177.322 176.870 -0.028 0.000 1.014 236 L CA -0.663 54.156 54.840 -0.035 0.000 0.820 236 L CB 2.285 44.345 42.059 0.001 0.000 1.352 236 L HN 0.721 nan 8.230 nan 0.000 0.421 237 S N 1.086 116.773 115.700 -0.022 0.000 2.608 237 S HA 0.679 5.149 4.470 0.000 0.000 0.291 237 S C -0.131 174.462 174.600 -0.011 0.000 1.146 237 S CA -0.596 57.590 58.200 -0.023 0.000 1.043 237 S CB 1.188 64.373 63.200 -0.025 0.000 1.037 237 S HN 0.573 nan 8.310 nan 0.000 0.520 238 I N -0.067 120.494 120.570 -0.016 0.000 3.376 238 I HA 0.411 4.581 4.170 0.000 0.000 0.326 238 I C -0.988 175.121 176.117 -0.013 0.000 1.538 238 I CA -0.686 60.605 61.300 -0.014 0.000 0.989 238 I CB 0.450 38.431 38.000 -0.033 0.000 1.413 238 I HN 0.339 nan 8.210 nan 0.000 0.547 239 D N 3.742 124.136 120.400 -0.009 0.000 2.422 239 D HA 0.182 4.822 4.640 0.000 0.000 0.263 239 D C 0.180 176.491 176.300 0.018 0.000 1.334 239 D CA 0.472 54.469 54.000 -0.005 0.000 1.105 239 D CB 1.053 41.843 40.800 -0.016 0.000 1.107 239 D HN 0.423 nan 8.370 nan 0.000 0.522 240 L N 2.205 123.445 121.223 0.027 0.000 2.454 240 L HA 0.274 4.614 4.340 0.000 0.000 0.256 240 L C -1.843 175.066 176.870 0.064 0.000 1.136 240 L CA -1.839 53.040 54.840 0.066 0.000 0.804 240 L CB 0.121 42.233 42.059 0.087 0.000 1.181 240 L HN 0.037 nan 8.230 nan 0.000 0.469 241 P HA 0.059 nan 4.420 nan 0.000 0.264 241 P C -1.329 176.017 177.300 0.076 0.000 1.183 241 P CA 0.270 63.420 63.100 0.084 0.000 0.763 241 P CB 0.387 32.154 31.700 0.111 0.000 0.807 242 E N 0.404 120.640 120.200 0.060 0.000 2.312 242 E HA 0.572 4.922 4.350 0.000 0.000 0.267 242 E C -0.945 175.691 176.600 0.061 0.000 0.894 242 E CA -1.130 55.302 56.400 0.053 0.000 0.773 242 E CB 2.190 31.908 29.700 0.030 0.000 1.241 242 E HN 0.251 nan 8.360 nan 0.000 0.432 243 V N -1.263 118.684 119.914 0.056 0.000 3.007 243 V HA 0.605 4.725 4.120 0.000 0.000 0.311 243 V C -0.869 175.258 176.094 0.055 0.000 1.120 243 V CA -1.154 61.181 62.300 0.059 0.000 0.980 243 V CB 1.926 33.769 31.823 0.032 0.000 1.033 243 V HN 0.579 nan 8.190 nan 0.000 0.429 244 R N 1.822 122.377 120.500 0.092 0.000 2.234 244 R HA 0.659 4.999 4.340 0.000 0.000 0.324 244 R C -1.037 175.282 176.300 0.032 0.000 1.054 244 R CA -0.481 55.681 56.100 0.103 0.000 0.912 244 R CB 1.672 32.092 30.300 0.200 0.000 1.030 244 R HN 0.694 nan 8.270 nan 0.000 0.455 245 V N 4.073 123.984 119.914 -0.005 0.000 2.350 245 V HA 0.273 4.393 4.120 0.000 0.000 0.276 245 V C 0.011 176.076 176.094 -0.048 0.000 1.028 245 V CA -0.577 61.678 62.300 -0.074 0.000 0.860 245 V CB 1.149 32.957 31.823 -0.025 0.000 0.990 245 V HN 0.568 nan 8.190 nan 0.000 0.453 246 K N 3.198 123.535 120.400 -0.104 0.000 2.340 246 K HA 0.940 5.260 4.320 0.000 0.000 0.244 246 K C -0.888 175.618 176.600 -0.156 0.000 0.973 246 K CA -0.316 55.932 56.287 -0.065 0.000 0.828 246 K CB 2.289 34.840 32.500 0.084 0.000 1.226 246 K HN 0.866 nan 8.250 nan 0.000 0.437 247 A N 2.105 124.814 122.820 -0.185 0.000 2.566 247 A HA 0.698 5.018 4.320 0.000 0.000 0.297 247 A C -1.765 175.747 177.584 -0.121 0.000 1.059 247 A CA -0.323 51.580 52.037 -0.223 0.000 0.691 247 A CB 1.054 19.675 19.000 -0.632 0.000 1.282 247 A HN 0.858 nan 8.150 nan 0.000 0.401 248 D N -0.123 120.249 120.400 -0.046 0.000 2.879 248 D HA 0.260 4.900 4.640 0.000 0.000 0.346 248 D C 0.533 176.843 176.300 0.016 0.000 1.390 248 D CA 0.012 54.005 54.000 -0.010 0.000 0.838 248 D CB -0.007 40.797 40.800 0.007 0.000 1.416 248 D HN 0.316 nan 8.370 nan 0.000 0.493 249 E N -0.627 119.585 120.200 0.020 0.000 2.086 249 E HA -0.218 4.132 4.350 0.000 0.000 0.200 249 E C 1.741 178.363 176.600 0.037 0.000 1.012 249 E CA 3.242 59.658 56.400 0.026 0.000 0.812 249 E CB -0.496 29.218 29.700 0.023 0.000 0.743 249 E HN 0.579 nan 8.360 nan 0.000 0.453 250 T N -3.183 111.397 114.554 0.044 0.000 3.072 250 T HA 0.322 4.672 4.350 0.000 0.000 0.266 250 T C 0.922 175.661 174.700 0.065 0.000 1.127 250 T CA 0.637 62.770 62.100 0.054 0.000 1.107 250 T CB 0.028 68.934 68.868 0.063 0.000 0.910 250 T HN 0.421 nan 8.240 nan 0.000 0.513 251 G N 0.430 109.268 108.800 0.064 0.000 2.331 251 G HA2 0.410 4.370 3.960 0.000 0.000 0.479 251 G HA3 0.410 4.370 3.960 0.000 0.000 0.479 251 G C -0.641 174.304 174.900 0.075 0.000 1.262 251 G CA -0.446 44.704 45.100 0.083 0.000 1.029 251 G HN 0.885 nan 8.290 nan 0.000 0.487 252 A N -0.658 122.232 122.820 0.116 0.000 2.279 252 A HA 1.004 5.324 4.320 0.000 0.000 0.303 252 A C 0.577 178.189 177.584 0.045 0.000 1.108 252 A CA 0.778 52.861 52.037 0.077 0.000 0.830 252 A CB 1.069 20.178 19.000 0.181 0.000 1.106 252 A HN 2.458 nan 8.150 nan 0.000 0.493 253 S N -0.647 114.894 115.700 -0.264 0.000 2.537 253 S HA 0.621 5.091 4.470 0.000 0.000 0.270 253 S C -1.355 172.523 174.600 -1.202 0.000 1.142 253 S CA -0.627 57.084 58.200 -0.815 0.000 0.870 253 S CB 1.288 64.069 63.200 -0.698 0.000 1.112 253 S HN 1.033 nan 8.310 nan 0.000 0.466 254 V N 2.822 121.628 119.914 -1.846 0.000 2.409 254 V HA 0.533 4.653 4.120 0.000 0.000 0.290 254 V C -1.544 174.040 176.094 -0.849 0.000 1.017 254 V CA -0.466 61.178 62.300 -1.094 0.000 0.841 254 V CB 0.646 31.974 31.823 -0.825 0.000 1.003 254 V HN 0.833 nan 8.190 nan 0.000 0.426 255 F N 5.798 125.636 119.950 -0.188 0.000 2.404 255 F HA 0.579 5.106 4.527 0.000 0.000 0.354 255 F C -2.190 173.601 175.800 -0.016 0.000 1.122 255 F CA -3.015 54.944 58.000 -0.069 0.000 1.080 255 F CB 1.310 40.281 39.000 -0.049 0.000 1.131 255 F HN 0.279 nan 8.300 nan 0.000 0.471 256 P HA 0.136 nan 4.420 nan 0.000 0.271 256 P C -0.596 176.779 177.300 0.126 0.000 1.216 256 P CA -0.104 63.081 63.100 0.142 0.000 0.776 256 P CB 0.683 32.470 31.700 0.145 0.000 0.881 257 L N 5.588 126.866 121.223 0.090 0.000 2.265 257 L HA 0.355 4.696 4.340 0.000 0.000 0.288 257 L C -1.659 175.235 176.870 0.041 0.000 1.058 257 L CA -2.027 52.853 54.840 0.066 0.000 0.809 257 L CB 0.893 42.982 42.059 0.050 0.000 1.179 257 L HN 0.262 nan 8.230 nan 0.000 0.429 258 P HA 0.060 nan 4.420 nan 0.000 0.269 258 P C -0.916 176.371 177.300 -0.023 0.000 1.215 258 P CA -0.265 62.845 63.100 0.017 0.000 0.780 258 P CB 0.824 32.537 31.700 0.023 0.000 0.898 259 K N 1.872 122.253 120.400 -0.032 0.000 3.237 259 K HA 0.249 4.570 4.320 0.000 0.000 0.197 259 K C -1.907 174.655 176.600 -0.065 0.000 1.133 259 K CA -1.298 54.947 56.287 -0.071 0.000 0.944 259 K CB 0.324 32.794 32.500 -0.050 0.000 0.952 259 K HN 0.486 nan 8.250 nan 0.000 0.515 260 P HA -0.128 nan 4.420 nan 0.000 0.269 260 P C 0.086 177.352 177.300 -0.056 0.000 1.205 260 P CA 0.179 63.254 63.100 -0.041 0.000 0.780 260 P CB 0.795 32.485 31.700 -0.017 0.000 0.858 264 T N 1.133 115.602 114.554 -0.141 0.000 2.867 264 T HA -0.029 4.321 4.350 0.000 0.000 0.268 264 T C 1.615 176.300 174.700 -0.025 0.000 1.057 264 T CA 1.615 63.669 62.100 -0.077 0.000 1.136 264 T CB -0.014 68.818 68.868 -0.060 0.000 0.874 264 T HN 0.062 nan 8.240 nan 0.000 0.466 265 V N 1.193 121.112 119.914 0.008 0.000 2.270 265 V HA -0.137 3.983 4.120 0.000 0.000 0.245 265 V C 2.667 178.806 176.094 0.074 0.000 1.043 265 V CA 1.309 63.636 62.300 0.044 0.000 1.014 265 V CB -0.668 31.199 31.823 0.072 0.000 0.645 265 V HN 0.302 nan 8.190 nan 0.000 0.447 266 V N -0.114 119.875 119.914 0.125 0.000 2.332 266 V HA -0.353 3.767 4.120 0.000 0.000 0.248 266 V C 2.443 178.611 176.094 0.124 0.000 1.055 266 V CA 2.417 64.821 62.300 0.174 0.000 1.038 266 V CB -0.716 31.314 31.823 0.346 0.000 0.651 266 V HN 0.652 nan 8.190 nan 0.000 0.450 267 Q N -0.094 119.750 119.800 0.074 0.000 2.096 267 Q HA -0.301 4.039 4.340 0.000 0.000 0.204 267 Q C 2.245 178.267 176.000 0.038 0.000 0.982 267 Q CA 2.178 58.009 55.803 0.046 0.000 0.850 267 Q CB -0.074 28.660 28.738 -0.007 0.000 0.901 267 Q HN 0.657 nan 8.270 nan 0.000 0.422 268 E N -0.039 120.174 120.200 0.021 0.000 2.150 268 E HA -0.059 4.291 4.350 0.000 0.000 0.193 268 E C 0.295 176.920 176.600 0.042 0.000 0.985 268 E CA 0.491 56.895 56.400 0.007 0.000 0.814 268 E CB -0.107 29.587 29.700 -0.010 0.000 0.752 268 E HN 0.376 nan 8.360 nan 0.000 0.466 272 L N 1.790 123.133 121.223 0.201 0.000 2.046 272 L HA -0.014 4.326 4.340 0.000 0.000 0.208 272 L C 2.988 180.035 176.870 0.295 0.000 1.077 272 L CA 1.859 56.870 54.840 0.285 0.000 0.747 272 L CB -0.500 41.671 42.059 0.186 0.000 0.896 272 L HN 0.417 nan 8.230 nan 0.000 0.432 273 A N 0.114 123.046 122.820 0.187 0.000 1.902 273 A HA -0.127 4.193 4.320 0.000 0.000 0.217 273 A C 2.385 180.032 177.584 0.105 0.000 1.181 273 A CA 1.751 53.853 52.037 0.108 0.000 0.623 273 A CB -1.195 17.851 19.000 0.076 0.000 0.818 273 A HN 0.449 nan 8.150 nan 0.000 0.443 274 G N -1.864 107.037 108.800 0.168 0.000 2.408 274 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 274 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 274 G C 1.355 176.332 174.900 0.129 0.000 1.150 274 G CA 1.013 46.099 45.100 -0.025 0.000 0.776 274 G HN 0.660 nan 8.290 nan 0.000 0.542 275 W N 1.939 123.370 121.300 0.217 0.000 2.355 275 W HA 0.046 4.706 4.660 0.000 0.000 0.309 275 W C 2.425 179.011 176.519 0.111 0.000 1.206 275 W CA 1.696 59.175 57.345 0.223 0.000 1.284 275 W CB -0.588 28.979 29.460 0.179 0.000 1.145 275 W HN 0.083 nan 8.180 nan 0.000 0.502 276 G N -0.625 108.188 108.800 0.022 0.000 2.422 276 G HA2 -0.266 3.695 3.960 0.000 0.000 0.218 276 G HA3 -0.266 3.695 3.960 0.000 0.000 0.218 276 G C 1.451 176.285 174.900 -0.111 0.000 1.146 276 G CA 1.692 46.673 45.100 -0.197 0.000 0.769 276 G HN 0.297 nan 8.290 nan 0.000 0.547 277 T N 1.539 116.060 114.554 -0.055 0.000 2.746 277 T HA 0.005 4.355 4.350 0.000 0.000 0.267 277 T C 2.795 177.495 174.700 0.000 0.000 1.039 277 T CA 1.515 63.582 62.100 -0.055 0.000 1.142 277 T CB -0.306 68.500 68.868 -0.104 0.000 0.866 277 T HN 0.377 nan 8.240 nan 0.000 0.444 278 A N 1.398 124.234 122.820 0.027 0.000 1.930 278 A HA 0.005 4.325 4.320 0.000 0.000 0.217 278 A C 2.217 179.902 177.584 0.169 0.000 1.175 278 A CA 0.877 53.036 52.037 0.205 0.000 0.627 278 A CB -0.543 18.678 19.000 0.369 0.000 0.815 278 A HN 0.371 nan 8.150 nan 0.000 0.443 279 I N -1.286 119.272 120.570 -0.019 0.000 2.127 279 I HA -0.223 3.947 4.170 0.000 0.000 0.241 279 I C 2.356 178.451 176.117 -0.036 0.000 1.075 279 I CA 1.512 62.746 61.300 -0.109 0.000 1.334 279 I CB -1.544 36.260 38.000 -0.327 0.000 1.040 279 I HN 0.440 nan 8.210 nan 0.000 0.405 280 F N 1.838 121.692 119.950 -0.160 0.000 2.126 280 F HA -0.236 4.291 4.527 0.000 0.000 0.299 280 F C 2.505 178.196 175.800 -0.182 0.000 1.096 280 F CA 1.833 59.734 58.000 -0.165 0.000 1.255 280 F CB -0.251 38.651 39.000 -0.163 0.000 0.997 280 F HN 0.046 nan 8.300 nan 0.000 0.479 281 A N -0.359 122.462 122.820 0.002 0.000 1.873 281 A HA -0.219 4.101 4.320 0.000 0.000 0.215 281 A C 1.926 179.483 177.584 -0.045 0.000 1.186 281 A CA 1.906 53.907 52.037 -0.060 0.000 0.616 281 A CB -1.268 17.778 19.000 0.077 0.000 0.823 281 A HN 0.479 nan 8.150 nan 0.000 0.442 282 D N -0.240 120.197 120.400 0.061 0.000 2.123 282 D HA -0.159 4.482 4.640 0.000 0.000 0.196 282 D C 1.217 177.451 176.300 -0.110 0.000 0.992 282 D CA 1.686 55.676 54.000 -0.017 0.000 0.833 282 D CB -0.195 40.585 40.800 -0.034 0.000 0.954 282 D HN 0.391 nan 8.370 nan 0.000 0.455 283 D N -0.444 119.856 120.400 -0.168 0.000 2.117 283 D HA -0.066 4.574 4.640 0.000 0.000 0.198 283 D C 1.223 177.371 176.300 -0.253 0.000 0.982 283 D CA 0.800 54.681 54.000 -0.199 0.000 0.828 283 D CB -0.265 40.403 40.800 -0.220 0.000 0.967 283 D HN 0.276 nan 8.370 nan 0.000 0.464 284 N N 0.883 119.327 118.700 -0.427 0.000 2.314 284 N HA -0.011 4.729 4.740 0.000 0.000 0.200 284 N C -0.560 174.768 175.510 -0.304 0.000 1.135 284 N CA 0.146 52.908 53.050 -0.480 0.000 0.835 284 N CB 0.416 38.215 38.487 -1.147 0.000 0.989 284 N HN 0.246 nan 8.380 nan 0.000 0.478 285 E N 0.597 120.681 120.200 -0.192 0.000 2.228 285 E HA -0.195 4.155 4.350 0.000 0.000 0.213 285 E C -0.683 175.879 176.600 -0.063 0.000 1.282 285 E CA 0.397 56.744 56.400 -0.088 0.000 0.707 285 E CB -1.428 28.242 29.700 -0.051 0.000 1.150 285 E HN 0.468 nan 8.360 nan 0.000 0.362 286 I N 0.802 121.318 120.570 -0.091 0.000 2.315 286 I HA 0.262 4.432 4.170 0.000 0.000 0.291 286 I C -2.013 174.147 176.117 0.071 0.000 1.006 286 I CA -2.330 58.941 61.300 -0.049 0.000 1.265 286 I CB 0.928 38.835 38.000 -0.156 0.000 1.387 286 I HN -0.154 nan 8.210 nan 0.000 0.475 287 P HA 0.338 nan 4.420 nan 0.000 0.271 287 P C -0.841 176.497 177.300 0.064 0.000 1.216 287 P CA 0.091 63.278 63.100 0.145 0.000 0.776 287 P CB 0.712 32.465 31.700 0.090 0.000 0.881 288 L N 3.708 124.955 121.223 0.040 0.000 2.479 288 L HA 0.448 4.788 4.340 0.000 0.000 0.255 288 L C -2.396 174.372 176.870 -0.170 0.000 1.026 288 L CA -2.281 52.406 54.840 -0.255 0.000 0.842 288 L CB 2.968 44.592 42.059 -0.726 0.000 1.444 288 L HN 0.186 nan 8.230 nan 0.000 0.409 289 P HA 0.133 nan 4.420 nan 0.000 0.231 289 P C -0.569 176.813 177.300 0.136 0.000 1.811 289 P CA -0.180 62.947 63.100 0.046 0.000 1.051 289 P CB -0.658 31.018 31.700 -0.041 0.000 1.951 290 F N 1.755 121.814 119.950 0.181 0.000 2.602 290 F HA 0.129 4.656 4.527 0.000 0.000 0.385 290 F C 1.507 177.452 175.800 0.242 0.000 1.063 290 F CA 0.055 58.161 58.000 0.177 0.000 1.233 290 F CB 0.336 39.410 39.000 0.123 0.000 1.067 290 F HN 0.244 nan 8.300 nan 0.000 0.564 291 A N 3.289 126.349 122.820 0.399 0.000 2.302 291 A HA 0.572 4.892 4.320 0.000 0.000 0.295 291 A C 0.133 177.884 177.584 0.279 0.000 1.235 291 A CA -0.268 51.907 52.037 0.229 0.000 0.876 291 A CB -0.103 19.111 19.000 0.357 0.000 1.133 291 A HN 0.758 nan 8.150 nan 0.000 0.533 292 T N 0.470 115.061 114.554 0.062 0.000 2.924 292 T HA 0.738 5.088 4.350 0.000 0.000 0.291 292 T C -0.704 173.876 174.700 -0.201 0.000 1.045 292 T CA -0.717 61.398 62.100 0.025 0.000 1.015 292 T CB 1.760 70.649 68.868 0.035 0.000 1.103 292 T HN 0.709 nan 8.240 nan 0.000 0.496 293 Q N 0.959 120.567 119.800 -0.320 0.000 2.284 293 Q HA 0.280 4.620 4.340 0.000 0.000 0.269 293 Q C -1.599 174.265 176.000 -0.227 0.000 1.026 293 Q CA -0.657 54.898 55.803 -0.414 0.000 0.831 293 Q CB 2.476 30.678 28.738 -0.893 0.000 1.322 293 Q HN 0.848 nan 8.270 nan 0.000 0.419 294 D N 0.813 121.131 120.400 -0.137 0.000 2.447 294 D HA 0.168 4.808 4.640 0.000 0.000 0.265 294 D C -0.646 175.594 176.300 -0.100 0.000 1.250 294 D CA 0.061 54.052 54.000 -0.015 0.000 1.046 294 D CB 0.578 41.389 40.800 0.019 0.000 1.095 294 D HN 0.364 nan 8.370 nan 0.000 0.555 295 Y N 0.413 120.602 120.300 -0.185 0.000 2.379 295 Y HA 0.181 4.731 4.550 0.000 0.000 0.337 295 Y C -1.199 174.477 175.900 -0.375 0.000 1.238 295 Y CA -1.377 56.490 58.100 -0.389 0.000 1.405 295 Y CB -0.181 38.180 38.460 -0.165 0.000 1.310 295 Y HN 0.171 nan 8.280 nan 0.000 0.569 296 P HA 0.041 nan 4.420 nan 0.000 0.274 296 P C 0.347 177.599 177.300 -0.081 0.000 1.246 296 P CA -0.126 62.852 63.100 -0.204 0.000 0.795 296 P CB 0.855 32.423 31.700 -0.220 0.000 1.006 297 T N -0.153 114.365 114.554 -0.060 0.000 2.778 297 T HA -0.151 4.199 4.350 0.000 0.000 0.269 297 T C 0.964 175.654 174.700 -0.017 0.000 1.050 297 T CA 1.404 63.485 62.100 -0.032 0.000 1.137 297 T CB -0.346 68.505 68.868 -0.027 0.000 0.860 297 T HN 0.640 nan 8.240 nan 0.000 0.468 298 R N 0.658 121.150 120.500 -0.014 0.000 2.753 298 R HA 0.340 4.680 4.340 0.000 0.000 0.272 298 R C -1.761 174.548 176.300 0.015 0.000 1.034 298 R CA -1.159 54.945 56.100 0.006 0.000 0.869 298 R CB 1.049 31.353 30.300 0.007 0.000 1.264 298 R HN 0.293 nan 8.270 nan 0.000 0.481 299 E N 1.589 121.811 120.200 0.037 0.000 2.331 299 E HA 0.465 4.815 4.350 0.000 0.000 0.272 299 E C -0.814 175.809 176.600 0.038 0.000 1.036 299 E CA -0.949 55.481 56.400 0.051 0.000 0.864 299 E CB 1.745 31.489 29.700 0.073 0.000 1.035 299 E HN 0.277 nan 8.360 nan 0.000 0.408 300 V N 1.544 121.481 119.914 0.039 0.000 2.577 300 V HA 0.613 4.733 4.120 0.000 0.000 0.303 300 V C -0.322 175.793 176.094 0.034 0.000 1.042 300 V CA -0.713 61.608 62.300 0.034 0.000 0.872 300 V CB 1.459 33.302 31.823 0.033 0.000 0.998 300 V HN 0.921 nan 8.190 nan 0.000 0.423 301 A N 3.106 125.943 122.820 0.029 0.000 2.320 301 A HA 1.035 5.355 4.320 0.000 0.000 0.334 301 A C 0.364 177.962 177.584 0.023 0.000 1.147 301 A CA 0.040 52.091 52.037 0.024 0.000 0.820 301 A CB 1.357 20.368 19.000 0.020 0.000 1.218 301 A HN 2.267 nan 8.150 nan 0.000 0.482 302 G N 0.806 109.617 108.800 0.019 0.000 2.570 302 G HA2 0.281 4.241 3.960 0.000 0.000 0.686 302 G HA3 0.281 4.241 3.960 0.000 0.000 0.686 302 G C -0.602 174.311 174.900 0.022 0.000 1.257 302 G CA 0.315 45.427 45.100 0.019 0.000 0.846 302 G HN 1.650 nan 8.290 nan 0.000 0.627 303 D N -1.720 118.693 120.400 0.021 0.000 2.563 303 D HA 0.323 4.963 4.640 0.000 0.000 0.237 303 D C 1.254 177.574 176.300 0.032 0.000 1.282 303 D CA 0.858 54.872 54.000 0.023 0.000 0.816 303 D CB 0.179 40.986 40.800 0.012 0.000 1.066 303 D HN 0.822 nan 8.370 nan 0.000 0.501 304 T N -2.172 112.404 114.554 0.036 0.000 2.766 304 T HA 0.206 4.556 4.350 0.000 0.000 0.295 304 T C 1.637 176.375 174.700 0.063 0.000 1.024 304 T CA -0.709 61.414 62.100 0.040 0.000 1.018 304 T CB 0.917 69.804 68.868 0.031 0.000 1.002 304 T HN 0.024 nan 8.240 nan 0.000 0.532 305 L N 1.229 122.491 121.223 0.066 0.000 1.989 305 L HA -0.018 4.322 4.340 0.000 0.000 0.211 305 L C 0.020 176.976 176.870 0.145 0.000 1.071 305 L CA 1.408 56.312 54.840 0.106 0.000 0.749 305 L CB -1.694 40.408 42.059 0.072 0.000 0.890 305 L HN 0.627 nan 8.230 nan 0.000 0.431 306 P HA -0.119 nan 4.420 nan 0.000 0.220 306 P C 0.684 178.066 177.300 0.137 0.000 1.148 306 P CA 1.324 64.478 63.100 0.089 0.000 0.803 306 P CB -0.053 31.656 31.700 0.015 0.000 0.782 310 A N 1.639 124.596 122.820 0.228 0.000 1.929 310 A HA -0.090 4.230 4.320 0.000 0.000 0.216 310 A C 1.842 179.443 177.584 0.029 0.000 1.176 310 A CA 1.902 54.015 52.037 0.126 0.000 0.628 310 A CB -0.886 18.186 19.000 0.121 0.000 0.816 310 A HN 0.283 nan 8.150 nan 0.000 0.444 311 R N -0.299 120.214 120.500 0.023 0.000 2.081 311 R HA -0.161 4.180 4.340 0.000 0.000 0.235 311 R C 2.400 178.671 176.300 -0.050 0.000 1.131 311 R CA 1.748 57.844 56.100 -0.005 0.000 0.960 311 R CB -0.311 29.994 30.300 0.008 0.000 0.856 311 R HN 0.524 nan 8.270 nan 0.000 0.436 312 R N 0.757 121.200 120.500 -0.094 0.000 2.091 312 R HA -0.146 4.194 4.340 0.000 0.000 0.238 312 R C 1.906 178.118 176.300 -0.145 0.000 1.136 312 R CA 2.020 58.032 56.100 -0.146 0.000 0.959 312 R CB -0.014 30.133 30.300 -0.254 0.000 0.856 312 R HN 0.220 nan 8.270 nan 0.000 0.437 313 K N -0.623 119.688 120.400 -0.148 0.000 2.147 313 K HA -0.097 4.223 4.320 0.000 0.000 0.205 313 K C 1.987 178.547 176.600 -0.068 0.000 1.049 313 K CA 1.805 58.028 56.287 -0.107 0.000 0.936 313 K CB -0.046 32.414 32.500 -0.068 0.000 0.722 313 K HN 0.431 nan 8.250 nan 0.000 0.446 314 T N -0.615 113.905 114.554 -0.057 0.000 3.043 314 T HA 0.091 4.441 4.350 0.000 0.000 0.263 314 T C 0.958 175.613 174.700 -0.075 0.000 1.094 314 T CA -0.149 61.920 62.100 -0.052 0.000 1.127 314 T CB -0.324 68.522 68.868 -0.037 0.000 0.905 314 T HN -0.035 nan 8.240 nan 0.000 0.490 315 L N 2.185 123.358 121.223 -0.083 0.000 2.593 315 L HA 0.254 4.594 4.340 0.000 0.000 0.287 315 L C 1.013 177.820 176.870 -0.105 0.000 1.243 315 L CA -0.474 54.305 54.840 -0.100 0.000 0.890 315 L CB -0.149 41.861 42.059 -0.080 0.000 1.134 315 L HN 0.329 nan 8.230 nan 0.000 0.502 316 A N 5.194 127.933 122.820 -0.135 0.000 2.371 316 A HA 0.364 4.684 4.320 0.000 0.000 0.257 316 A C 0.233 177.749 177.584 -0.113 0.000 1.089 316 A CA -0.506 51.461 52.037 -0.117 0.000 0.794 316 A CB 0.274 19.194 19.000 -0.133 0.000 1.029 316 A HN 0.776 nan 8.150 nan 0.000 0.488 317 R N 0.933 121.382 120.500 -0.085 0.000 2.623 317 R HA 0.203 4.543 4.340 0.000 0.000 0.271 317 R C 0.329 176.558 176.300 -0.119 0.000 1.043 317 R CA 0.710 56.764 56.100 -0.076 0.000 1.083 317 R CB 0.069 30.343 30.300 -0.043 0.000 0.974 317 R HN 0.805 nan 8.270 nan 0.000 0.436 318 T N 1.085 115.557 114.554 -0.137 0.000 2.779 318 T HA 0.196 4.547 4.350 0.000 0.000 0.296 318 T C 0.290 174.799 174.700 -0.317 0.000 0.938 318 T CA -0.695 61.258 62.100 -0.244 0.000 1.119 318 T CB 0.591 69.314 68.868 -0.242 0.000 0.891 318 T HN 0.421 nan 8.240 nan 0.000 0.526 319 R N 2.250 122.579 120.500 -0.286 0.000 2.312 319 R HA 0.479 4.819 4.340 0.000 0.000 0.311 319 R C -0.914 175.236 176.300 -0.250 0.000 1.004 319 R CA -0.609 55.380 56.100 -0.185 0.000 0.902 319 R CB 0.913 31.177 30.300 -0.060 0.000 1.073 319 R HN 0.553 nan 8.270 nan 0.000 0.457 320 F N 2.620 122.634 119.950 0.106 0.000 2.404 320 F HA 0.276 4.803 4.527 0.000 0.000 0.354 320 F C 0.276 176.151 175.800 0.125 0.000 1.122 320 F CA -0.367 57.708 58.000 0.125 0.000 1.080 320 F CB 1.548 40.613 39.000 0.108 0.000 1.131 320 F HN 0.375 nan 8.300 nan 0.000 0.471 321 Q N 4.224 124.222 119.800 0.331 0.000 2.416 321 Q HA 0.422 4.762 4.340 0.000 0.000 0.281 321 Q C -2.658 173.529 176.000 0.312 0.000 1.067 321 Q CA -2.129 53.825 55.803 0.251 0.000 0.809 321 Q CB 2.570 31.408 28.738 0.166 0.000 1.418 321 Q HN 0.207 nan 8.270 nan 0.000 0.411 322 P HA -0.172 nan 4.420 nan 0.000 0.223 322 P C -0.035 177.461 177.300 0.326 0.000 1.144 322 P CA 1.179 64.434 63.100 0.259 0.000 0.783 322 P CB 0.274 32.058 31.700 0.140 0.000 0.771 323 S N -2.031 113.760 115.700 0.152 0.000 2.568 323 S HA 0.627 5.098 4.470 0.000 0.000 0.293 323 S C -3.138 171.131 174.600 -0.552 0.000 1.089 323 S CA -2.321 55.770 58.200 -0.181 0.000 0.945 323 S CB 1.351 64.483 63.200 -0.113 0.000 1.077 323 S HN -0.247 nan 8.310 nan 0.000 0.485 324 P HA 0.317 nan 4.420 nan 0.000 0.261 324 P C -0.053 177.074 177.300 -0.289 0.000 1.173 324 P CA 0.644 63.209 63.100 -0.891 0.000 0.760 324 P CB 0.154 31.457 31.700 -0.662 0.000 0.783 325 G N 3.188 111.931 108.800 -0.095 0.000 2.706 325 G HA2 0.550 4.510 3.960 0.000 0.000 0.297 325 G HA3 0.550 4.510 3.960 0.000 0.000 0.297 325 G C -3.294 171.658 174.900 0.086 0.000 1.403 325 G CA -1.496 43.609 45.100 0.010 0.000 0.954 325 G HN 0.123 nan 8.290 nan 0.000 0.500 326 P HA 0.139 nan 4.420 nan 0.000 0.269 326 P C -0.693 176.669 177.300 0.103 0.000 1.209 326 P CA -0.009 63.148 63.100 0.097 0.000 0.776 326 P CB 0.515 32.260 31.700 0.075 0.000 0.876 327 H N 2.789 121.867 119.070 0.013 0.000 2.736 327 H HA 0.084 4.640 4.556 0.000 0.000 0.271 327 H C 1.113 176.393 175.328 -0.079 0.000 1.184 327 H CA -0.157 55.880 56.048 -0.018 0.000 1.378 327 H CB 0.075 29.826 29.762 -0.018 0.000 1.428 327 H HN 0.579 nan 8.280 nan 0.000 0.500 328 H N 3.456 122.405 119.070 -0.201 0.000 2.289 328 H HA -0.130 4.426 4.556 0.000 0.000 0.294 328 H C 0.747 176.003 175.328 -0.120 0.000 1.095 328 H CA 1.797 57.675 56.048 -0.283 0.000 1.256 328 H CB -0.064 29.388 29.762 -0.516 0.000 1.359 328 H HN 0.717 nan 8.280 nan 0.000 0.487 332 L N 0.507 121.651 121.223 -0.132 0.000 2.354 332 L HA 0.618 4.958 4.340 0.000 0.000 0.269 332 L C 0.423 177.334 176.870 0.068 0.000 1.005 332 L CA -0.660 54.134 54.840 -0.076 0.000 0.819 332 L CB 1.849 43.858 42.059 -0.084 0.000 1.311 332 L HN -0.018 nan 8.230 nan 0.000 0.423 333 D N 1.498 121.982 120.400 0.139 0.000 2.333 333 D HA 0.169 4.809 4.640 0.000 0.000 0.208 333 D C 0.012 176.421 176.300 0.181 0.000 0.984 333 D CA 0.801 54.886 54.000 0.143 0.000 0.873 333 D CB 0.598 41.479 40.800 0.135 0.000 0.935 333 D HN 0.397 nan 8.370 nan 0.000 0.521 334 L N -3.009 118.390 121.223 0.294 0.000 2.556 334 L HA 0.662 5.002 4.340 0.000 0.000 0.257 334 L C -1.741 175.453 176.870 0.541 0.000 0.955 334 L CA -1.176 53.867 54.840 0.338 0.000 0.850 334 L CB 2.276 44.477 42.059 0.236 0.000 1.398 334 L HN -0.213 nan 8.230 nan 0.000 0.412 335 Y N 1.642 122.175 120.300 0.388 0.000 2.565 335 Y HA 0.792 5.342 4.550 0.000 0.000 0.330 335 Y C -1.803 174.271 175.900 0.291 0.000 1.150 335 Y CA -0.129 58.161 58.100 0.317 0.000 1.055 335 Y CB 2.064 40.639 38.460 0.192 0.000 1.337 335 Y HN 1.133 nan 8.280 nan 0.000 0.457 336 A N 4.557 127.001 122.820 -0.626 0.000 2.459 336 A HA 0.546 4.866 4.320 0.000 0.000 0.296 336 A C -1.827 175.317 177.584 -0.733 0.000 1.039 336 A CA -0.906 50.823 52.037 -0.514 0.000 0.698 336 A CB 1.506 20.255 19.000 -0.418 0.000 1.261 336 A HN 0.672 nan 8.150 nan 0.000 0.405 337 Q N 1.156 120.721 119.800 -0.392 0.000 2.323 337 Q HA 0.476 4.816 4.340 0.000 0.000 0.257 337 Q C 0.517 176.454 176.000 -0.105 0.000 1.022 337 Q CA 0.304 55.993 55.803 -0.190 0.000 0.919 337 Q CB 1.268 30.044 28.738 0.062 0.000 1.220 337 Q HN 0.875 nan 8.270 nan 0.000 0.427 338 A N 1.898 124.682 122.820 -0.060 0.000 2.635 338 A HA 0.085 4.405 4.320 0.000 0.000 0.279 338 A C 1.120 178.792 177.584 0.147 0.000 1.122 338 A CA -0.218 51.847 52.037 0.047 0.000 0.965 338 A CB 0.403 19.412 19.000 0.015 0.000 1.221 338 A HN 0.684 nan 8.150 nan 0.000 0.566 339 T N -3.116 111.491 114.554 0.088 0.000 3.069 339 T HA 0.242 4.592 4.350 0.000 0.000 0.252 339 T C 0.497 175.235 174.700 0.064 0.000 1.053 339 T CA 0.554 62.716 62.100 0.103 0.000 0.964 339 T CB 0.064 68.994 68.868 0.104 0.000 1.005 339 T HN 0.058 nan 8.240 nan 0.000 0.532 340 S N 3.214 118.925 115.700 0.019 0.000 2.399 340 S HA 0.356 4.826 4.470 0.000 0.000 0.198 340 S C -2.596 171.969 174.600 -0.058 0.000 1.294 340 S CA -0.989 57.216 58.200 0.008 0.000 1.237 340 S CB 0.950 64.180 63.200 0.050 0.000 1.286 340 S HN 0.387 nan 8.310 nan 0.000 0.404 344 R N 0.663 121.187 120.500 0.041 0.000 2.502 344 R HA 0.250 4.590 4.340 0.000 0.000 0.300 344 R C -0.668 175.638 176.300 0.010 0.000 0.984 344 R CA -0.803 55.319 56.100 0.038 0.000 0.882 344 R CB 1.444 31.760 30.300 0.027 0.000 1.180 344 R HN -0.070 nan 8.270 nan 0.000 0.444 345 Y N 3.145 123.401 120.300 -0.074 0.000 2.165 345 Y HA -0.201 4.349 4.550 0.000 0.000 0.286 345 Y C 1.624 177.461 175.900 -0.105 0.000 1.155 345 Y CA 1.838 59.886 58.100 -0.086 0.000 1.164 345 Y CB 0.066 38.476 38.460 -0.084 0.000 0.978 345 Y HN 0.574 nan 8.280 nan 0.000 0.513 346 L N -0.321 120.800 121.223 -0.171 0.000 2.079 346 L HA -0.257 4.083 4.340 0.000 0.000 0.210 346 L C 1.875 178.590 176.870 -0.258 0.000 1.081 346 L CA 1.760 56.432 54.840 -0.280 0.000 0.752 346 L CB -0.677 41.144 42.059 -0.398 0.000 0.896 346 L HN 0.178 nan 8.230 nan 0.000 0.433 347 D N 0.066 120.349 120.400 -0.194 0.000 2.144 347 D HA -0.185 4.455 4.640 0.000 0.000 0.199 347 D C 1.985 178.153 176.300 -0.219 0.000 0.984 347 D CA 0.889 54.797 54.000 -0.154 0.000 0.834 347 D CB -0.150 40.577 40.800 -0.122 0.000 0.955 347 D HN 0.136 nan 8.370 nan 0.000 0.465 348 L N 0.336 121.376 121.223 -0.306 0.000 2.046 348 L HA -0.105 4.235 4.340 0.000 0.000 0.208 348 L C 1.925 178.638 176.870 -0.262 0.000 1.077 348 L CA 1.343 55.992 54.840 -0.317 0.000 0.747 348 L CB -0.429 41.438 42.059 -0.321 0.000 0.896 348 L HN -0.068 nan 8.230 nan 0.000 0.432 349 V N -0.950 118.724 119.914 -0.400 0.000 2.407 349 V HA -0.273 3.847 4.120 0.000 0.000 0.248 349 V C 2.566 178.591 176.094 -0.116 0.000 1.055 349 V CA 1.598 63.730 62.300 -0.279 0.000 1.049 349 V CB -0.521 31.119 31.823 -0.305 0.000 0.662 349 V HN 0.378 nan 8.190 nan 0.000 0.455 350 V N -0.428 119.428 119.914 -0.097 0.000 2.287 350 V HA -0.311 3.809 4.120 0.000 0.000 0.248 350 V C 2.312 178.434 176.094 0.048 0.000 1.053 350 V CA 2.277 64.550 62.300 -0.044 0.000 1.027 350 V CB -0.890 30.912 31.823 -0.035 0.000 0.646 350 V HN 0.649 nan 8.190 nan 0.000 0.447 351 H N -0.374 118.644 119.070 -0.087 0.000 2.353 351 H HA -0.183 4.374 4.556 0.000 0.000 0.300 351 H C 2.515 177.834 175.328 -0.016 0.000 1.090 351 H CA 1.757 57.780 56.048 -0.041 0.000 1.327 351 H CB 0.128 29.872 29.762 -0.031 0.000 1.383 351 H HN 0.547 nan 8.280 nan 0.000 0.508 352 Q N 0.337 120.193 119.800 0.093 0.000 2.084 352 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 352 Q C 2.408 178.444 176.000 0.060 0.000 0.978 352 Q CA 0.944 56.782 55.803 0.058 0.000 0.844 352 Q CB 0.101 28.851 28.738 0.021 0.000 0.898 352 Q HN 0.438 nan 8.270 nan 0.000 0.426 353 Q N 0.383 120.208 119.800 0.042 0.000 2.119 353 Q HA -0.082 4.258 4.340 0.000 0.000 0.201 353 Q C 2.211 178.271 176.000 0.100 0.000 0.972 353 Q CA 1.044 56.880 55.803 0.054 0.000 0.847 353 Q CB -0.113 28.632 28.738 0.010 0.000 0.903 353 Q HN 0.440 nan 8.270 nan 0.000 0.433 354 L N 0.239 121.509 121.223 0.078 0.000 2.027 354 L HA -0.152 4.188 4.340 0.000 0.000 0.206 354 L C 2.510 179.490 176.870 0.184 0.000 1.074 354 L CA 0.915 55.833 54.840 0.130 0.000 0.745 354 L CB -0.375 41.684 42.059 0.001 0.000 0.898 354 L HN 0.107 nan 8.230 nan 0.000 0.433 355 R N 0.336 120.901 120.500 0.109 0.000 2.096 355 R HA -0.083 4.257 4.340 0.000 0.000 0.235 355 R C 2.312 178.680 176.300 0.113 0.000 1.127 355 R CA 1.407 57.568 56.100 0.101 0.000 0.968 355 R CB -1.000 29.347 30.300 0.079 0.000 0.861 355 R HN 0.352 nan 8.270 nan 0.000 0.440 356 A N 0.802 123.693 122.820 0.119 0.000 1.908 356 A HA -0.207 4.113 4.320 0.000 0.000 0.218 356 A C 2.078 179.740 177.584 0.131 0.000 1.181 356 A CA 1.432 53.533 52.037 0.106 0.000 0.627 356 A CB -0.740 18.322 19.000 0.103 0.000 0.818 356 A HN 0.319 nan 8.150 nan 0.000 0.445 357 F N 0.482 120.463 119.950 0.051 0.000 2.102 357 F HA -0.141 4.387 4.527 0.000 0.000 0.298 357 F C 1.896 177.737 175.800 0.068 0.000 1.105 357 F CA 1.454 59.489 58.000 0.059 0.000 1.239 357 F CB -0.144 38.908 39.000 0.088 0.000 0.991 357 F HN 0.094 nan 8.300 nan 0.000 0.474 358 L N 0.179 121.465 121.223 0.105 0.000 2.131 358 L HA -0.122 4.218 4.340 0.000 0.000 0.210 358 L C 2.519 179.347 176.870 -0.070 0.000 1.092 358 L CA 1.741 56.579 54.840 -0.002 0.000 0.759 358 L CB -2.219 39.903 42.059 0.105 0.000 0.903 358 L HN 0.346 nan 8.230 nan 0.000 0.435 359 A N -1.312 121.489 122.820 -0.033 0.000 2.218 359 A HA 0.332 4.652 4.320 0.000 0.000 0.209 359 A C 1.871 179.417 177.584 -0.064 0.000 1.168 359 A CA 0.889 52.908 52.037 -0.031 0.000 0.804 359 A CB -0.230 18.773 19.000 0.005 0.000 0.834 359 A HN 0.510 nan 8.150 nan 0.000 0.482 360 G N -0.469 108.257 108.800 -0.122 0.000 2.205 360 G HA2 -0.308 3.652 3.960 0.000 0.000 0.261 360 G HA3 -0.308 3.652 3.960 0.000 0.000 0.261 360 G C 0.541 175.404 174.900 -0.061 0.000 0.980 360 G CA 0.429 45.447 45.100 -0.136 0.000 0.632 360 G HN 0.702 nan 8.290 nan 0.000 0.533 361 R N 0.478 120.965 120.500 -0.023 0.000 2.893 361 R HA 0.417 4.758 4.340 0.000 0.000 0.279 361 R C -0.704 175.615 176.300 0.030 0.000 1.076 361 R CA 0.099 56.203 56.100 0.008 0.000 1.203 361 R CB 0.217 30.531 30.300 0.022 0.000 1.137 361 R HN 0.141 nan 8.270 nan 0.000 0.541 362 D N 2.080 122.502 120.400 0.037 0.000 2.280 362 D HA 0.211 4.851 4.640 0.000 0.000 0.243 362 D C -1.954 174.383 176.300 0.060 0.000 1.129 362 D CA -1.373 52.658 54.000 0.051 0.000 0.848 362 D CB 0.965 41.787 40.800 0.036 0.000 1.107 362 D HN 0.272 nan 8.370 nan 0.000 0.471 363 P HA 0.133 nan 4.420 nan 0.000 0.277 363 P C -0.015 177.311 177.300 0.044 0.000 1.240 363 P CA -0.724 62.420 63.100 0.072 0.000 0.798 363 P CB 1.013 32.770 31.700 0.095 0.000 0.979 364 L N 1.289 122.529 121.223 0.028 0.000 2.554 364 L HA -0.024 4.316 4.340 0.000 0.000 0.293 364 L C 1.589 178.457 176.870 -0.004 0.000 1.252 364 L CA 0.855 55.692 54.840 -0.005 0.000 0.862 364 L CB -0.674 41.359 42.059 -0.044 0.000 1.113 364 L HN 0.636 nan 8.230 nan 0.000 0.510 365 S N 0.910 116.600 115.700 -0.016 0.000 2.624 365 S HA 0.121 4.591 4.470 0.000 0.000 0.263 365 S C 1.245 175.842 174.600 -0.004 0.000 1.287 365 S CA -0.114 58.085 58.200 -0.002 0.000 0.990 365 S CB 0.928 64.126 63.200 -0.003 0.000 0.950 365 S HN 0.669 nan 8.310 nan 0.000 0.561 366 S N 0.111 115.821 115.700 0.017 0.000 2.447 366 S HA -0.072 4.398 4.470 0.000 0.000 0.233 366 S C 1.635 176.245 174.600 0.017 0.000 1.006 366 S CA 0.591 58.811 58.200 0.032 0.000 0.957 366 S CB -0.369 62.858 63.200 0.045 0.000 0.773 366 S HN 0.669 nan 8.310 nan 0.000 0.507 367 K N 1.689 122.089 120.400 0.001 0.000 2.044 367 K HA 0.169 4.489 4.320 0.000 0.000 0.204 367 K C 0.925 177.505 176.600 -0.032 0.000 1.049 367 K CA 0.595 56.880 56.287 -0.003 0.000 0.945 367 K CB -0.766 31.734 32.500 -0.000 0.000 0.724 367 K HN 0.358 nan 8.250 nan 0.000 0.440 371 A N -0.000 122.855 122.820 0.060 0.000 1.873 371 A HA -0.059 4.261 4.320 0.000 0.000 0.215 371 A C 1.714 179.427 177.584 0.214 0.000 1.186 371 A CA 1.858 53.960 52.037 0.108 0.000 0.616 371 A CB -1.030 18.023 19.000 0.088 0.000 0.823 371 A HN 0.718 nan 8.150 nan 0.000 0.442 372 H N -1.590 117.521 119.070 0.068 0.000 2.457 372 H HA -0.052 4.504 4.556 0.000 0.000 0.294 372 H C 1.842 177.227 175.328 0.095 0.000 1.064 372 H CA 0.754 56.856 56.048 0.091 0.000 1.330 372 H CB 0.052 29.901 29.762 0.145 0.000 1.395 372 H HN 0.396 nan 8.280 nan 0.000 0.541 373 I N 1.159 121.852 120.570 0.205 0.000 2.163 373 I HA -0.204 3.967 4.170 0.000 0.000 0.240 373 I C 2.695 178.878 176.117 0.108 0.000 1.081 373 I CA 1.203 62.581 61.300 0.130 0.000 1.353 373 I CB -0.805 37.275 38.000 0.133 0.000 1.054 373 I HN 0.196 nan 8.210 nan 0.000 0.407 374 A N -0.500 122.386 122.820 0.111 0.000 1.908 374 A HA -0.268 4.052 4.320 0.000 0.000 0.218 374 A C 2.375 179.993 177.584 0.057 0.000 1.181 374 A CA 2.010 54.098 52.037 0.086 0.000 0.627 374 A CB -0.740 18.308 19.000 0.080 0.000 0.818 374 A HN 0.508 nan 8.150 nan 0.000 0.445 375 E N 0.131 120.363 120.200 0.053 0.000 2.017 375 E HA -0.178 4.172 4.350 0.000 0.000 0.193 375 E C 2.349 178.919 176.600 -0.050 0.000 0.997 375 E CA 1.691 58.090 56.400 -0.002 0.000 0.804 375 E CB -0.126 29.563 29.700 -0.018 0.000 0.757 375 E HN 0.747 nan 8.360 nan 0.000 0.448 376 S N 0.322 115.984 115.700 -0.064 0.000 2.399 376 S HA -0.119 4.351 4.470 0.000 0.000 0.231 376 S C 1.289 175.864 174.600 -0.042 0.000 1.022 376 S CA 0.344 58.471 58.200 -0.122 0.000 0.983 376 S CB -0.131 63.029 63.200 -0.067 0.000 0.803 376 S HN 0.113 nan 8.310 nan 0.000 0.480 380 A N 1.405 124.220 122.820 -0.008 0.000 1.930 380 A HA -0.102 4.218 4.320 0.000 0.000 0.217 380 A C 1.641 179.245 177.584 0.034 0.000 1.175 380 A CA 1.869 53.916 52.037 0.016 0.000 0.627 380 A CB -0.351 18.666 19.000 0.028 0.000 0.815 380 A HN 0.176 nan 8.150 nan 0.000 0.443 381 D N 0.331 120.754 120.400 0.037 0.000 2.092 381 D HA -0.100 4.540 4.640 0.000 0.000 0.193 381 D C 2.271 178.592 176.300 0.034 0.000 0.994 381 D CA 1.757 55.783 54.000 0.043 0.000 0.828 381 D CB -0.534 40.292 40.800 0.044 0.000 0.963 381 D HN 0.407 nan 8.370 nan 0.000 0.450 382 A N 0.224 123.059 122.820 0.025 0.000 1.902 382 A HA -0.169 4.152 4.320 0.000 0.000 0.217 382 A C 2.368 179.968 177.584 0.027 0.000 1.181 382 A CA 2.200 54.252 52.037 0.024 0.000 0.623 382 A CB -0.908 18.101 19.000 0.016 0.000 0.818 382 A HN 0.240 nan 8.150 nan 0.000 0.443 383 T N -0.348 114.218 114.554 0.020 0.000 2.708 383 T HA -0.131 4.220 4.350 0.000 0.000 0.266 383 T C 2.068 176.791 174.700 0.038 0.000 1.037 383 T CA 1.650 63.762 62.100 0.020 0.000 1.146 383 T CB -0.220 68.652 68.868 0.006 0.000 0.865 383 T HN 0.529 nan 8.240 nan 0.000 0.435 384 R N 0.662 121.189 120.500 0.045 0.000 2.092 384 R HA -0.059 4.281 4.340 0.000 0.000 0.231 384 R C 2.639 178.966 176.300 0.045 0.000 1.119 384 R CA 1.104 57.238 56.100 0.056 0.000 0.970 384 R CB -0.211 30.126 30.300 0.062 0.000 0.864 384 R HN 0.250 nan 8.270 nan 0.000 0.440 385 Q N 0.728 120.550 119.800 0.036 0.000 2.119 385 Q HA -0.036 4.304 4.340 0.000 0.000 0.201 385 Q C 1.891 177.906 176.000 0.024 0.000 0.972 385 Q CA 1.893 57.710 55.803 0.024 0.000 0.847 385 Q CB -0.200 28.554 28.738 0.025 0.000 0.903 385 Q HN 0.313 nan 8.270 nan 0.000 0.433 386 A N 0.242 123.090 122.820 0.047 0.000 1.933 386 A HA -0.206 4.114 4.320 0.000 0.000 0.218 386 A C 2.036 179.660 177.584 0.067 0.000 1.175 386 A CA 1.611 53.693 52.037 0.075 0.000 0.628 386 A CB -0.616 18.430 19.000 0.077 0.000 0.814 386 A HN 0.557 nan 8.150 nan 0.000 0.444 387 E N -0.488 119.749 120.200 0.061 0.000 2.051 387 E HA -0.187 4.163 4.350 0.000 0.000 0.192 387 E C 2.370 179.004 176.600 0.057 0.000 0.991 387 E CA 0.996 57.441 56.400 0.077 0.000 0.799 387 E CB -0.077 29.679 29.700 0.095 0.000 0.748 387 E HN 0.571 nan 8.360 nan 0.000 0.449 388 R N 0.180 120.697 120.500 0.029 0.000 2.080 388 R HA -0.160 4.180 4.340 0.000 0.000 0.236 388 R C 2.570 178.846 176.300 -0.039 0.000 1.137 388 R CA 1.319 57.422 56.100 0.005 0.000 0.943 388 R CB -0.440 29.855 30.300 -0.008 0.000 0.846 388 R HN 0.215 nan 8.270 nan 0.000 0.431 389 L N 0.154 121.305 121.223 -0.120 0.000 2.046 389 L HA -0.182 4.158 4.340 0.000 0.000 0.208 389 L C 2.465 179.179 176.870 -0.259 0.000 1.077 389 L CA 1.253 55.887 54.840 -0.343 0.000 0.747 389 L CB -0.422 41.236 42.059 -0.670 0.000 0.896 389 L HN 0.149 nan 8.230 nan 0.000 0.432 390 S N -0.506 115.168 115.700 -0.043 0.000 2.382 390 S HA -0.141 4.329 4.470 0.000 0.000 0.228 390 S C 2.060 176.770 174.600 0.183 0.000 1.027 390 S CA 1.094 59.370 58.200 0.127 0.000 0.991 390 S CB -0.206 63.100 63.200 0.177 0.000 0.823 390 S HN 0.346 nan 8.310 nan 0.000 0.469 391 R N 0.829 121.406 120.500 0.129 0.000 2.075 391 R HA 0.017 4.357 4.340 0.000 0.000 0.232 391 R C 2.596 178.965 176.300 0.116 0.000 1.126 391 R CA 1.207 57.388 56.100 0.136 0.000 0.963 391 R CB -0.206 30.148 30.300 0.090 0.000 0.858 391 R HN 0.303 nan 8.270 nan 0.000 0.435 392 R N 0.047 120.595 120.500 0.081 0.000 2.075 392 R HA -0.177 4.164 4.340 0.000 0.000 0.232 392 R C 2.379 178.715 176.300 0.061 0.000 1.126 392 R CA 1.527 57.683 56.100 0.094 0.000 0.963 392 R CB -0.389 29.953 30.300 0.069 0.000 0.858 392 R HN 0.349 nan 8.270 nan 0.000 0.435 393 H N 0.221 119.264 119.070 -0.045 0.000 2.265 393 H HA -0.193 4.363 4.556 0.000 0.000 0.295 393 H C 1.617 176.868 175.328 -0.128 0.000 1.084 393 H CA 2.243 58.250 56.048 -0.069 0.000 1.261 393 H CB -0.271 29.463 29.762 -0.047 0.000 1.360 393 H HN 0.416 nan 8.280 nan 0.000 0.487 394 H N -0.367 118.834 119.070 0.218 0.000 2.457 394 H HA -0.046 4.510 4.556 0.000 0.000 0.294 394 H C 2.148 177.465 175.328 -0.019 0.000 1.064 394 H CA 1.383 57.499 56.048 0.113 0.000 1.330 394 H CB -0.147 29.684 29.762 0.115 0.000 1.395 394 H HN 0.391 nan 8.280 nan 0.000 0.541 395 T N 1.368 115.935 114.554 0.022 0.000 2.746 395 T HA -0.071 4.279 4.350 0.000 0.000 0.267 395 T C 2.421 176.966 174.700 -0.258 0.000 1.039 395 T CA 0.607 62.631 62.100 -0.127 0.000 1.142 395 T CB -0.230 68.531 68.868 -0.177 0.000 0.866 395 T HN 0.203 nan 8.240 nan 0.000 0.444 396 L N 0.348 121.394 121.223 -0.294 0.000 2.083 396 L HA -0.079 4.261 4.340 0.000 0.000 0.209 396 L C 2.863 179.596 176.870 -0.228 0.000 1.083 396 L CA 1.306 55.932 54.840 -0.357 0.000 0.752 396 L CB -0.461 41.428 42.059 -0.283 0.000 0.899 396 L HN 0.173 nan 8.230 nan 0.000 0.433 397 R N -0.804 119.612 120.500 -0.139 0.000 2.081 397 R HA -0.198 4.142 4.340 0.000 0.000 0.235 397 R C 2.289 178.608 176.300 0.032 0.000 1.131 397 R CA 1.660 57.735 56.100 -0.042 0.000 0.960 397 R CB -0.530 29.803 30.300 0.054 0.000 0.856 397 R HN 0.172 nan 8.270 nan 0.000 0.436 398 F N 1.612 121.498 119.950 -0.107 0.000 2.126 398 F HA -0.172 4.355 4.527 0.000 0.000 0.299 398 F C 1.958 177.727 175.800 -0.052 0.000 1.096 398 F CA 1.305 59.259 58.000 -0.077 0.000 1.255 398 F CB -0.211 38.720 39.000 -0.116 0.000 0.997 398 F HN -0.100 nan 8.300 nan 0.000 0.479 399 I N 0.061 120.538 120.570 -0.155 0.000 2.142 399 I HA -0.314 3.856 4.170 0.000 0.000 0.240 399 I C 2.696 178.752 176.117 -0.102 0.000 1.078 399 I CA 1.317 62.485 61.300 -0.220 0.000 1.343 399 I CB -1.092 36.583 38.000 -0.542 0.000 1.046 399 I HN 0.180 nan 8.210 nan 0.000 0.405 400 A N 0.761 123.513 122.820 -0.114 0.000 1.986 400 A HA -0.195 4.125 4.320 0.000 0.000 0.220 400 A C 2.348 179.909 177.584 -0.039 0.000 1.171 400 A CA 1.922 53.925 52.037 -0.056 0.000 0.640 400 A CB -0.760 18.202 19.000 -0.063 0.000 0.811 400 A HN 0.487 nan 8.150 nan 0.000 0.451 401 A N -1.553 121.227 122.820 -0.066 0.000 2.235 401 A HA 0.134 4.454 4.320 0.000 0.000 0.208 401 A C 1.021 178.552 177.584 -0.090 0.000 1.172 401 A CA 0.589 52.587 52.037 -0.065 0.000 0.786 401 A CB -0.138 18.827 19.000 -0.059 0.000 0.804 401 A HN 0.615 nan 8.150 nan 0.000 0.479 402 Q N -0.931 118.820 119.800 -0.082 0.000 3.230 402 Q HA 0.165 4.505 4.340 0.000 0.000 0.303 402 Q C -2.218 173.797 176.000 0.025 0.000 0.884 402 Q CA -1.688 54.076 55.803 -0.065 0.000 0.859 402 Q CB 1.222 29.876 28.738 -0.139 0.000 1.432 402 Q HN 0.215 nan 8.270 nan 0.000 0.403 403 P HA -0.256 nan 4.420 nan 0.000 0.215 403 P C 1.319 178.641 177.300 0.036 0.000 1.153 403 P CA 1.367 64.496 63.100 0.049 0.000 0.853 403 P CB 0.319 32.033 31.700 0.023 0.000 0.788 404 E N 0.605 120.799 120.200 -0.009 0.000 2.208 404 E HA -0.147 4.203 4.350 0.000 0.000 0.193 404 E C 1.010 177.562 176.600 -0.080 0.000 0.988 404 E CA 0.638 57.016 56.400 -0.037 0.000 0.828 404 E CB -0.975 28.696 29.700 -0.049 0.000 0.763 404 E HN 0.182 nan 8.360 nan 0.000 0.478 405 R N 0.867 121.293 120.500 -0.123 0.000 2.623 405 R HA 0.187 4.527 4.340 0.000 0.000 0.271 405 R C -0.809 175.297 176.300 -0.324 0.000 1.043 405 R CA -0.077 55.843 56.100 -0.300 0.000 1.083 405 R CB 0.649 30.646 30.300 -0.505 0.000 0.974 405 R HN -0.054 nan 8.270 nan 0.000 0.436 406 V N 5.610 125.294 119.914 -0.384 0.000 2.398 406 V HA 0.301 4.421 4.120 0.000 0.000 0.286 406 V C -0.783 175.103 176.094 -0.347 0.000 1.026 406 V CA -0.499 61.653 62.300 -0.247 0.000 0.868 406 V CB 1.124 32.863 31.823 -0.141 0.000 0.982 406 V HN 0.729 nan 8.190 nan 0.000 0.443 407 W N 2.037 123.316 121.300 -0.035 0.000 2.496 407 W HA 0.485 5.145 4.660 0.000 0.000 0.327 407 W C 0.078 176.597 176.519 0.000 0.000 1.086 407 W CA -0.730 56.625 57.345 0.018 0.000 1.222 407 W CB 0.712 30.231 29.460 0.098 0.000 1.304 407 W HN 0.418 nan 8.180 nan 0.000 0.547 408 D N 2.142 122.702 120.400 0.266 0.000 2.339 408 D HA 0.426 5.066 4.640 0.000 0.000 0.241 408 D C -0.166 176.235 176.300 0.168 0.000 1.183 408 D CA 0.321 54.415 54.000 0.157 0.000 0.859 408 D CB 1.127 41.999 40.800 0.119 0.000 1.067 408 D HN 0.394 nan 8.370 nan 0.000 0.484 409 A N 2.222 125.104 122.820 0.102 0.000 2.346 409 A HA 0.776 5.096 4.320 0.000 0.000 0.313 409 A C -0.691 176.902 177.584 0.016 0.000 1.140 409 A CA -0.600 51.477 52.037 0.067 0.000 0.826 409 A CB 1.637 20.663 19.000 0.044 0.000 1.332 409 A HN 0.326 nan 8.150 nan 0.000 0.457 410 V N 0.312 120.212 119.914 -0.024 0.000 2.808 410 V HA 0.353 4.473 4.120 0.000 0.000 0.308 410 V C -0.519 175.500 176.094 -0.125 0.000 1.099 410 V CA -0.644 61.622 62.300 -0.056 0.000 0.920 410 V CB 1.825 33.623 31.823 -0.042 0.000 1.014 410 V HN 0.691 nan 8.190 nan 0.000 0.425 411 V N 4.972 124.815 119.914 -0.118 0.000 2.488 411 V HA 0.174 4.294 4.120 0.000 0.000 0.277 411 V C 0.890 176.857 176.094 -0.212 0.000 1.046 411 V CA 0.505 62.708 62.300 -0.162 0.000 0.986 411 V CB 1.421 33.180 31.823 -0.107 0.000 0.989 411 V HN 0.861 nan 8.190 nan 0.000 0.475 412 V N 0.460 120.153 119.914 -0.368 0.000 3.477 412 V HA 0.540 4.660 4.120 0.000 0.000 0.297 412 V C 0.009 175.880 176.094 -0.372 0.000 1.433 412 V CA 0.269 62.301 62.300 -0.447 0.000 1.052 412 V CB 0.334 31.615 31.823 -0.904 0.000 0.895 412 V HN 0.837 nan 8.190 nan 0.000 0.438 413 D N -0.414 119.821 120.400 -0.274 0.000 2.798 413 D HA 0.473 5.113 4.640 0.000 0.000 0.265 413 D C -1.151 175.100 176.300 -0.082 0.000 1.223 413 D CA -0.467 53.464 54.000 -0.115 0.000 0.743 413 D CB 1.551 42.329 40.800 -0.037 0.000 1.276 413 D HN 0.229 nan 8.370 nan 0.000 0.421 414 R N 0.813 121.297 120.500 -0.028 0.000 2.774 414 R HA 0.682 5.022 4.340 0.000 0.000 0.272 414 R C -0.878 175.421 176.300 -0.001 0.000 1.000 414 R CA -1.071 55.016 56.100 -0.022 0.000 0.906 414 R CB 2.480 32.766 30.300 -0.023 0.000 1.227 414 R HN 0.367 nan 8.270 nan 0.000 0.468 415 R N 1.063 121.562 120.500 -0.003 0.000 2.713 415 R HA 0.277 4.618 4.340 0.000 0.000 0.282 415 R C 0.066 176.366 176.300 0.001 0.000 1.472 415 R CA 0.632 56.734 56.100 0.005 0.000 1.060 415 R CB 0.967 31.273 30.300 0.010 0.000 1.237 415 R HN 0.914 nan 8.270 nan 0.000 0.484 416 G N 2.500 111.300 108.800 0.000 0.000 2.565 416 G HA2 -0.458 3.502 3.960 0.000 0.000 0.295 416 G HA3 -0.458 3.502 3.960 0.000 0.000 0.295 416 G C 0.606 175.504 174.900 -0.004 0.000 1.165 416 G CA 0.439 45.538 45.100 -0.001 0.000 0.977 416 G HN 0.780 nan 8.290 nan 0.000 0.546 417 A N -0.161 122.657 122.820 -0.004 0.000 2.251 417 A HA 0.428 4.748 4.320 0.000 0.000 0.209 417 A C 1.255 178.833 177.584 -0.010 0.000 1.187 417 A CA 1.317 53.349 52.037 -0.007 0.000 0.823 417 A CB -0.031 18.966 19.000 -0.005 0.000 0.846 417 A HN 0.541 nan 8.150 nan 0.000 0.486 418 Q N 0.033 119.827 119.800 -0.009 0.000 2.259 418 Q HA 0.607 4.947 4.340 0.000 0.000 0.249 418 Q C -0.611 175.375 176.000 -0.023 0.000 0.914 418 Q CA 0.080 55.875 55.803 -0.013 0.000 0.904 418 Q CB 1.573 30.307 28.738 -0.007 0.000 1.213 418 Q HN 0.327 nan 8.270 nan 0.000 0.428 419 A N 1.578 124.377 122.820 -0.034 0.000 2.381 419 A HA 0.509 4.829 4.320 0.000 0.000 0.299 419 A C -0.255 177.281 177.584 -0.079 0.000 1.049 419 A CA -0.743 51.259 52.037 -0.057 0.000 0.715 419 A CB 1.062 20.028 19.000 -0.058 0.000 1.222 419 A HN 0.656 nan 8.150 nan 0.000 0.428 420 T N 1.039 115.521 114.554 -0.120 0.000 2.729 420 T HA 0.571 4.921 4.350 0.000 0.000 0.296 420 T C -0.384 174.164 174.700 -0.254 0.000 0.928 420 T CA -0.299 61.700 62.100 -0.169 0.000 1.045 420 T CB -0.205 68.553 68.868 -0.184 0.000 0.902 420 T HN 0.279 nan 8.240 nan 0.000 0.500 421 L N 4.058 125.171 121.223 -0.183 0.000 2.289 421 L HA 0.585 4.925 4.340 0.000 0.000 0.285 421 L C -0.171 176.591 176.870 -0.180 0.000 1.049 421 L CA -0.836 53.904 54.840 -0.167 0.000 0.804 421 L CB 1.337 43.353 42.059 -0.072 0.000 1.195 421 L HN 0.672 nan 8.230 nan 0.000 0.428 422 L N 4.495 125.591 121.223 -0.212 0.000 2.307 422 L HA 0.609 4.949 4.340 0.000 0.000 0.284 422 L C -0.831 176.052 176.870 0.021 0.000 1.023 422 L CA -0.078 54.678 54.840 -0.139 0.000 0.810 422 L CB 1.164 43.073 42.059 -0.250 0.000 1.231 422 L HN 0.379 nan 8.230 nan 0.000 0.423 423 I N 8.437 129.079 120.570 0.120 0.000 2.347 423 I HA 0.377 4.547 4.170 0.000 0.000 0.283 423 I C -1.632 174.590 176.117 0.175 0.000 1.058 423 I CA -1.939 59.468 61.300 0.179 0.000 1.202 423 I CB 1.107 39.241 38.000 0.223 0.000 1.386 423 I HN 0.532 nan 8.210 nan 0.000 0.475 424 P HA -0.217 nan 4.420 nan 0.000 0.217 424 P C 0.747 178.147 177.300 0.166 0.000 1.162 424 P CA 1.541 64.731 63.100 0.149 0.000 0.901 424 P CB 0.200 31.978 31.700 0.129 0.000 0.793 425 D N -1.839 118.691 120.400 0.216 0.000 2.384 425 D HA -0.065 4.575 4.640 0.000 0.000 0.222 425 D C 1.374 177.794 176.300 0.200 0.000 0.976 425 D CA 0.816 54.965 54.000 0.248 0.000 0.915 425 D CB -0.290 40.741 40.800 0.384 0.000 0.896 425 D HN 0.228 nan 8.370 nan 0.000 0.523 426 L N -1.282 120.022 121.223 0.135 0.000 2.878 426 L HA 0.358 4.699 4.340 0.000 0.000 0.253 426 L C 0.855 177.790 176.870 0.108 0.000 1.135 426 L CA -0.061 54.803 54.840 0.040 0.000 0.943 426 L CB 0.319 42.293 42.059 -0.142 0.000 1.307 426 L HN -0.065 nan 8.230 nan 0.000 0.545 427 A N 0.910 123.818 122.820 0.147 0.000 2.783 427 A HA -0.289 4.031 4.320 0.000 0.000 0.292 427 A C -0.087 177.627 177.584 0.216 0.000 1.495 427 A CA 0.909 53.044 52.037 0.163 0.000 0.787 427 A CB -2.376 16.694 19.000 0.117 0.000 1.017 427 A HN 0.364 nan 8.150 nan 0.000 0.516 428 F N 1.193 121.157 119.950 0.024 0.000 2.507 428 F HA 0.602 5.129 4.527 0.000 0.000 0.325 428 F C -0.261 175.561 175.800 0.036 0.000 1.116 428 F CA -0.660 57.335 58.000 -0.008 0.000 0.930 428 F CB 1.355 40.273 39.000 -0.136 0.000 1.146 428 F HN 0.386 nan 8.300 nan 0.000 0.447 429 D N 5.082 125.212 120.400 -0.451 0.000 2.457 429 D HA 0.570 5.210 4.640 0.000 0.000 0.240 429 D C -1.314 174.715 176.300 -0.451 0.000 1.041 429 D CA -0.540 53.287 54.000 -0.289 0.000 0.861 429 D CB 2.310 43.068 40.800 -0.070 0.000 1.394 429 D HN 0.509 nan 8.370 nan 0.000 0.473 430 V N -1.600 118.202 119.914 -0.186 0.000 3.007 430 V HA 0.535 4.655 4.120 0.000 0.000 0.311 430 V C -0.702 175.364 176.094 -0.047 0.000 1.120 430 V CA -1.163 61.083 62.300 -0.090 0.000 0.980 430 V CB 1.637 33.539 31.823 0.132 0.000 1.033 430 V HN 0.702 nan 8.190 nan 0.000 0.429 431 Q N 1.819 121.605 119.800 -0.024 0.000 2.279 431 Q HA 0.806 5.146 4.340 0.000 0.000 0.256 431 Q C -1.113 174.887 176.000 -0.001 0.000 0.937 431 Q CA -0.615 55.177 55.803 -0.018 0.000 0.933 431 Q CB 1.854 30.586 28.738 -0.009 0.000 1.189 431 Q HN 0.630 nan 8.270 nan 0.000 0.417 432 V N 2.086 121.991 119.914 -0.015 0.000 2.925 432 V HA 0.282 4.402 4.120 0.000 0.000 0.311 432 V C -0.633 175.451 176.094 -0.016 0.000 1.104 432 V CA -1.146 61.147 62.300 -0.011 0.000 0.954 432 V CB 2.366 34.178 31.823 -0.020 0.000 1.022 432 V HN 0.815 nan 8.190 nan 0.000 0.427 433 N N 2.545 121.238 118.700 -0.011 0.000 2.439 433 N HA 0.401 5.141 4.740 0.000 0.000 0.243 433 N C -0.497 175.002 175.510 -0.017 0.000 1.088 433 N CA 0.230 53.273 53.050 -0.012 0.000 0.940 433 N CB 1.298 39.781 38.487 -0.007 0.000 1.180 433 N HN 0.792 nan 8.380 nan 0.000 0.505 434 T N 1.577 116.119 114.554 -0.021 0.000 3.435 434 T HA 0.275 4.625 4.350 0.000 0.000 0.344 434 T C -2.200 172.486 174.700 -0.023 0.000 1.211 434 T CA -1.086 61.000 62.100 -0.022 0.000 1.104 434 T CB 1.380 70.231 68.868 -0.028 0.000 1.196 434 T HN 0.052 nan 8.240 nan 0.000 0.471 435 P HA 0.146 nan 4.420 nan 0.000 0.220 435 P C 0.486 177.774 177.300 -0.021 0.000 1.148 435 P CA 0.517 63.606 63.100 -0.017 0.000 0.803 435 P CB -0.121 31.570 31.700 -0.014 0.000 0.782 436 A N 0.021 122.827 122.820 -0.024 0.000 2.624 436 A HA 0.270 4.590 4.320 0.000 0.000 0.231 436 A C 0.818 178.384 177.584 -0.030 0.000 1.034 436 A CA 0.508 52.530 52.037 -0.026 0.000 0.754 436 A CB -0.423 18.559 19.000 -0.030 0.000 0.953 436 A HN 0.292 nan 8.150 nan 0.000 0.509 437 A N 3.756 126.560 122.820 -0.026 0.000 2.252 437 A HA 0.718 5.038 4.320 0.000 0.000 0.305 437 A C -2.392 175.171 177.584 -0.035 0.000 1.097 437 A CA -1.814 50.207 52.037 -0.026 0.000 0.849 437 A CB -0.190 18.800 19.000 -0.017 0.000 1.142 437 A HN 0.654 nan 8.150 nan 0.000 0.499 438 P HA 0.253 nan 4.420 nan 0.000 0.262 438 P C 0.892 178.172 177.300 -0.035 0.000 1.182 438 P CA 2.139 65.212 63.100 -0.045 0.000 0.761 438 P CB 0.570 32.252 31.700 -0.030 0.000 0.795 439 G N 1.571 110.344 108.800 -0.045 0.000 2.213 439 G HA2 -0.202 3.758 3.960 0.000 0.000 0.226 439 G HA3 -0.202 3.758 3.960 0.000 0.000 0.226 439 G C 0.257 175.141 174.900 -0.026 0.000 0.992 439 G CA -0.107 44.976 45.100 -0.028 0.000 0.632 439 G HN 0.576 nan 8.290 nan 0.000 0.511 440 T N 2.030 116.564 114.554 -0.033 0.000 2.834 440 T HA 0.559 4.909 4.350 0.000 0.000 0.298 440 T C 0.654 175.338 174.700 -0.027 0.000 0.966 440 T CA 0.638 62.722 62.100 -0.027 0.000 1.141 440 T CB 1.558 70.409 68.868 -0.029 0.000 0.905 440 T HN 1.328 nan 8.240 nan 0.000 0.535 441 A N 3.727 126.537 122.820 -0.016 0.000 2.331 441 A HA 0.706 5.026 4.320 0.000 0.000 0.283 441 A C -0.577 177.001 177.584 -0.010 0.000 1.142 441 A CA -0.518 51.514 52.037 -0.009 0.000 0.812 441 A CB 0.110 19.110 19.000 0.000 0.000 1.074 441 A HN 0.660 nan 8.150 nan 0.000 0.497 442 L N 0.647 121.866 121.223 -0.007 0.000 2.403 442 L HA 0.490 4.830 4.340 0.000 0.000 0.253 442 L C -0.408 176.462 176.870 0.000 0.000 1.045 442 L CA -0.447 54.386 54.840 -0.011 0.000 0.845 442 L CB 1.774 43.819 42.059 -0.024 0.000 1.447 442 L HN 0.613 nan 8.230 nan 0.000 0.411 443 Q N 0.931 120.724 119.800 -0.011 0.000 2.316 443 Q HA 0.781 5.121 4.340 0.000 0.000 0.264 443 Q C -1.347 174.633 176.000 -0.033 0.000 0.987 443 Q CA -0.509 55.288 55.803 -0.009 0.000 0.852 443 Q CB 2.659 31.384 28.738 -0.021 0.000 1.287 443 Q HN 0.409 nan 8.270 nan 0.000 0.448 444 V N 1.985 121.880 119.914 -0.032 0.000 2.841 444 V HA 0.414 4.534 4.120 0.000 0.000 0.310 444 V C -0.576 175.421 176.094 -0.161 0.000 1.090 444 V CA -0.834 61.381 62.300 -0.141 0.000 0.930 444 V CB 2.467 34.137 31.823 -0.256 0.000 1.014 444 V HN 0.661 nan 8.190 nan 0.000 0.425 445 Q N 2.049 121.713 119.800 -0.227 0.000 2.348 445 Q HA 0.677 5.017 4.340 0.000 0.000 0.271 445 Q C -1.810 174.029 176.000 -0.269 0.000 1.067 445 Q CA -0.583 55.144 55.803 -0.127 0.000 0.839 445 Q CB 2.989 31.707 28.738 -0.033 0.000 1.354 445 Q HN 0.608 nan 8.270 nan 0.000 0.447 446 F N 0.444 120.478 119.950 0.140 0.000 2.492 446 F HA 0.778 5.305 4.527 0.000 0.000 0.327 446 F C 0.151 175.978 175.800 0.044 0.000 1.079 446 F CA -0.547 57.495 58.000 0.070 0.000 0.967 446 F CB 1.929 40.942 39.000 0.022 0.000 1.169 446 F HN 0.574 nan 8.300 nan 0.000 0.472 447 A N 0.802 123.767 122.820 0.240 0.000 2.594 447 A HA 0.644 4.964 4.320 0.000 0.000 0.291 447 A C -1.316 176.327 177.584 0.100 0.000 1.105 447 A CA -0.904 51.211 52.037 0.129 0.000 0.694 447 A CB 0.891 19.941 19.000 0.083 0.000 1.291 447 A HN 0.764 nan 8.150 nan 0.000 0.410 448 D N -0.266 120.169 120.400 0.059 0.000 2.803 448 D HA -0.145 4.495 4.640 0.000 0.000 0.233 448 D C -0.534 175.782 176.300 0.027 0.000 1.182 448 D CA 1.013 55.035 54.000 0.037 0.000 0.726 448 D CB -1.252 39.571 40.800 0.038 0.000 0.987 448 D HN 0.393 nan 8.370 nan 0.000 0.412 449 I N 1.356 121.929 120.570 0.006 0.000 2.471 449 I HA 0.073 4.244 4.170 0.000 0.000 0.286 449 I C 0.892 176.988 176.117 -0.036 0.000 1.079 449 I CA 0.117 61.399 61.300 -0.030 0.000 1.398 449 I CB 0.732 38.690 38.000 -0.070 0.000 1.403 449 I HN -0.014 nan 8.210 nan 0.000 0.530 450 D N 7.017 127.395 120.400 -0.036 0.000 2.464 450 D HA 0.210 4.851 4.640 0.000 0.000 0.243 450 D C 0.910 177.174 176.300 -0.060 0.000 1.104 450 D CA -0.286 53.690 54.000 -0.041 0.000 0.883 450 D CB 0.889 41.678 40.800 -0.018 0.000 1.050 450 D HN 0.407 nan 8.370 nan 0.000 0.524 451 L N 3.510 124.671 121.223 -0.102 0.000 2.012 451 L HA -0.093 4.247 4.340 0.000 0.000 0.210 451 L C -0.524 176.312 176.870 -0.057 0.000 1.073 451 L CA 1.243 56.008 54.840 -0.125 0.000 0.748 451 L CB -1.304 40.647 42.059 -0.180 0.000 0.891 451 L HN 0.338 nan 8.230 nan 0.000 0.431 452 P HA -0.133 nan 4.420 nan 0.000 0.218 452 P C 0.575 177.913 177.300 0.064 0.000 1.148 452 P CA 1.180 64.176 63.100 -0.173 0.000 0.822 452 P CB 0.092 31.632 31.700 -0.266 0.000 0.784 456 V N -1.816 118.147 119.914 0.081 0.000 3.181 456 V HA 0.724 4.844 4.120 0.000 0.000 0.308 456 V C -0.842 175.350 176.094 0.162 0.000 1.214 456 V CA -1.314 61.045 62.300 0.098 0.000 1.053 456 V CB 2.457 34.311 31.823 0.051 0.000 1.069 456 V HN 0.836 nan 8.190 nan 0.000 0.441 457 R N 0.916 121.531 120.500 0.191 0.000 2.437 457 R HA 0.838 5.178 4.340 0.000 0.000 0.310 457 R C -0.429 176.012 176.300 0.236 0.000 0.955 457 R CA -0.218 55.986 56.100 0.173 0.000 0.851 457 R CB 1.986 32.346 30.300 0.100 0.000 1.161 457 R HN 1.163 nan 8.270 nan 0.000 0.446 458 A N 3.464 126.392 122.820 0.181 0.000 2.320 458 A HA 0.711 5.032 4.320 0.000 0.000 0.334 458 A C -0.577 176.972 177.584 -0.058 0.000 1.147 458 A CA -0.814 51.217 52.037 -0.009 0.000 0.820 458 A CB 0.942 19.910 19.000 -0.052 0.000 1.218 458 A HN 0.866 nan 8.150 nan 0.000 0.482 459 R N 0.689 121.109 120.500 -0.132 0.000 2.604 459 R HA 0.590 4.930 4.340 0.000 0.000 0.281 459 R C -1.274 174.968 176.300 -0.096 0.000 1.020 459 R CA -0.472 55.580 56.100 -0.080 0.000 0.899 459 R CB 1.340 31.613 30.300 -0.045 0.000 1.205 459 R HN 0.428 nan 8.270 nan 0.000 0.450 460 S N 1.898 117.559 115.700 -0.066 0.000 2.528 460 S HA 0.182 4.653 4.470 0.000 0.000 0.277 460 S C 0.681 175.253 174.600 -0.046 0.000 1.297 460 S CA -0.661 57.505 58.200 -0.057 0.000 1.052 460 S CB 1.116 64.291 63.200 -0.042 0.000 0.917 460 S HN 0.357 nan 8.310 nan 0.000 0.492 461 V N 0.000 119.887 119.914 -0.045 0.000 2.409 461 V HA 0.000 4.120 4.120 0.000 0.000 0.244 461 V CA 0.000 62.278 62.300 -0.037 0.000 1.235 461 V CB 0.000 31.799 31.823 -0.039 0.000 1.184 461 V HN 0.000 nan 8.190 nan 0.000 0.556