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 4blc_1_B DATA FIRST_RESID 3 DATA SEQUENCE NRDPASDQMK HWKEQRAAQK PDVLTTGGGN PVGDKLNSLT VGPRGPLLVQ DATA SEQUENCE DVVFTDEMAH FDRERIPERV VHAKGAGAFG YFEVTHDITR YSKAKVFEHI DATA SEQUENCE GKRTPIAVRF STVAGESGSA DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF DATA SEQUENCE FIRDALLFPS FIHSQKRNPQ THLKDPDMVW DFWSLRPESL HQVSFLFSDR DATA SEQUENCE GIPDGHRHMD GYGSHTFKLV NADGEAVYCK FHYKTDQGIK NLSVEDAARL DATA SEQUENCE AHEDPDYGLR DLFNAIATGN YPSWTLYIQV MTFSEAEIFP FNPFDLTKVW DATA SEQUENCE PHGDYPLIPV GKLVLNRNPV NYFAEVEQLA FDPSNMPPGI EPSPDKMLQG DATA SEQUENCE RLFAYPDTHR HRLGPNYLQI PVNCPYRARV ANYQRDGPMC MMDNQGGAPN DATA SEQUENCE YYPNSFSAPE HQPSALEHRT HFSGDVQRFN SANDDNVTQV RTFYLKVLNE DATA SEQUENCE EQRKRLCENI AGHLKDAQLF IQKKAVKNFS DVHPEYGSRI QALLDKYNE 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 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.536 175.510 0.044 0.000 1.280 3 N CA 0.000 53.076 53.050 0.044 0.000 0.885 3 N CB 0.000 38.516 38.487 0.049 0.000 1.341 4 R N 0.038 120.568 120.500 0.051 0.000 2.944 4 R HA 0.375 4.715 4.340 -0.001 0.000 0.233 4 R C -0.570 175.776 176.300 0.076 0.000 1.346 4 R CA -0.564 55.566 56.100 0.050 0.000 1.082 4 R CB 0.675 30.994 30.300 0.032 0.000 1.434 4 R HN 0.654 nan 8.270 nan 0.000 0.510 5 D N 0.423 120.873 120.400 0.083 0.000 2.348 5 D HA 0.106 4.746 4.640 -0.001 0.000 0.249 5 D C -1.832 174.569 176.300 0.167 0.000 1.110 5 D CA -1.773 52.298 54.000 0.118 0.000 0.967 5 D CB 0.549 41.418 40.800 0.114 0.000 1.139 5 D HN 0.108 nan 8.370 nan 0.000 0.466 6 P HA -0.239 nan 4.420 nan 0.000 0.214 6 P C 1.317 178.836 177.300 0.365 0.000 1.163 6 P CA 2.359 65.672 63.100 0.355 0.000 0.889 6 P CB -0.157 31.714 31.700 0.285 0.000 0.790 7 A N 0.632 123.686 122.820 0.390 0.000 1.852 7 A HA -0.236 4.083 4.320 -0.001 0.000 0.217 7 A C 2.492 180.135 177.584 0.097 0.000 1.215 7 A CA 3.117 55.325 52.037 0.285 0.000 0.641 7 A CB -1.781 17.345 19.000 0.210 0.000 0.838 7 A HN 0.271 nan 8.150 nan 0.000 0.450 8 S N -0.195 115.546 115.700 0.069 0.000 2.442 8 S HA -0.078 4.391 4.470 -0.001 0.000 0.236 8 S C 0.743 175.333 174.600 -0.017 0.000 1.007 8 S CA 1.078 59.288 58.200 0.016 0.000 0.965 8 S CB -0.243 62.969 63.200 0.020 0.000 0.773 8 S HN 0.535 nan 8.310 nan 0.000 0.504 9 D N 1.098 121.478 120.400 -0.033 0.000 2.434 9 D HA 0.085 4.725 4.640 -0.001 0.000 0.232 9 D C 1.596 177.699 176.300 -0.328 0.000 1.166 9 D CA 0.002 53.870 54.000 -0.220 0.000 0.830 9 D CB 0.003 40.605 40.800 -0.329 0.000 0.960 9 D HN 0.271 nan 8.370 nan 0.000 0.497 10 Q N 0.216 119.977 119.800 -0.065 0.000 1.967 10 Q HA -0.105 4.235 4.340 -0.001 0.000 0.202 10 Q C 1.896 177.939 176.000 0.072 0.000 0.985 10 Q CA 0.974 56.810 55.803 0.054 0.000 0.839 10 Q CB -0.064 28.702 28.738 0.047 0.000 0.906 10 Q HN 0.313 nan 8.270 nan 0.000 0.423 11 M N 0.526 120.140 119.600 0.024 0.000 2.213 11 M HA -0.210 4.270 4.480 -0.001 0.000 0.263 11 M C 2.139 178.517 176.300 0.130 0.000 1.062 11 M CA 1.650 56.989 55.300 0.066 0.000 1.105 11 M CB -0.108 32.489 32.600 -0.006 0.000 1.385 11 M HN 0.106 nan 8.290 nan 0.000 0.417 12 K N -0.088 120.314 120.400 0.005 0.000 1.977 12 K HA -0.240 4.079 4.320 -0.001 0.000 0.218 12 K C 1.733 178.381 176.600 0.081 0.000 1.051 12 K CA 2.118 58.391 56.287 -0.023 0.000 0.953 12 K CB -0.388 31.997 32.500 -0.191 0.000 0.727 12 K HN 0.338 nan 8.250 nan 0.000 0.445 13 H N -1.203 117.963 119.070 0.160 0.000 2.387 13 H HA -0.171 4.384 4.556 -0.001 0.000 0.299 13 H C 1.879 177.305 175.328 0.163 0.000 1.099 13 H CA 1.604 57.737 56.048 0.142 0.000 1.315 13 H CB -0.792 29.058 29.762 0.147 0.000 1.380 13 H HN 0.517 nan 8.280 nan 0.000 0.513 14 W N 2.325 123.717 121.300 0.153 0.000 2.355 14 W HA -0.216 4.444 4.660 -0.000 0.000 0.309 14 W C 2.714 179.276 176.519 0.072 0.000 1.206 14 W CA 2.189 59.595 57.345 0.102 0.000 1.284 14 W CB 0.022 29.528 29.460 0.076 0.000 1.145 14 W HN 0.063 nan 8.180 nan 0.000 0.502 15 K N 0.936 121.577 120.400 0.402 0.000 2.020 15 K HA -0.267 4.053 4.320 -0.001 0.000 0.212 15 K C 1.759 178.386 176.600 0.045 0.000 1.050 15 K CA 2.598 59.035 56.287 0.249 0.000 0.929 15 K CB -0.766 31.861 32.500 0.213 0.000 0.714 15 K HN 0.416 nan 8.250 nan 0.000 0.443 16 E N 0.844 121.082 120.200 0.064 0.000 2.012 16 E HA -0.297 4.052 4.350 -0.001 0.000 0.197 16 E C 2.018 178.584 176.600 -0.056 0.000 1.007 16 E CA 1.431 57.844 56.400 0.021 0.000 0.816 16 E CB -0.630 29.110 29.700 0.067 0.000 0.762 16 E HN 0.644 nan 8.360 nan 0.000 0.451 17 Q N 1.306 121.059 119.800 -0.078 0.000 2.528 17 Q HA -0.186 4.154 4.340 -0.001 0.000 0.217 17 Q C 1.746 177.578 176.000 -0.279 0.000 0.988 17 Q CA 1.042 56.751 55.803 -0.156 0.000 0.900 17 Q CB -0.156 28.491 28.738 -0.151 0.000 0.947 17 Q HN 0.131 nan 8.270 nan 0.000 0.502 18 R N 0.062 120.359 120.500 -0.339 0.000 2.334 18 R HA 0.176 4.515 4.340 -0.001 0.000 0.220 18 R C 0.741 176.929 176.300 -0.187 0.000 0.917 18 R CA 0.580 56.448 56.100 -0.386 0.000 1.073 18 R CB -0.172 29.815 30.300 -0.522 0.000 1.056 18 R HN 0.404 nan 8.270 nan 0.000 0.506 19 A N 0.195 122.939 122.820 -0.126 0.000 5.896 19 A HA -0.321 3.999 4.320 -0.001 0.000 0.309 19 A C 0.843 178.398 177.584 -0.049 0.000 1.873 19 A CA 1.153 53.148 52.037 -0.071 0.000 0.760 19 A CB -1.564 17.396 19.000 -0.066 0.000 1.279 19 A HN 0.436 nan 8.150 nan 0.000 0.399 20 A N -0.795 122.005 122.820 -0.034 0.000 2.460 20 A HA 0.479 4.799 4.320 -0.001 0.000 0.258 20 A C 0.573 178.145 177.584 -0.019 0.000 1.300 20 A CA 0.859 52.885 52.037 -0.018 0.000 0.913 20 A CB -0.445 18.549 19.000 -0.010 0.000 1.031 20 A HN 0.725 nan 8.150 nan 0.000 0.512 21 Q N 1.068 120.849 119.800 -0.032 0.000 2.313 21 Q HA 0.285 4.625 4.340 -0.001 0.000 0.266 21 Q C -0.089 175.904 176.000 -0.013 0.000 0.989 21 Q CA 0.084 55.871 55.803 -0.026 0.000 0.890 21 Q CB 0.834 29.546 28.738 -0.042 0.000 1.200 21 Q HN 0.318 nan 8.270 nan 0.000 0.396 22 K N 2.314 122.713 120.400 -0.002 0.000 2.274 22 K HA 0.028 4.348 4.320 -0.001 0.000 0.255 22 K C -1.982 174.630 176.600 0.021 0.000 1.005 22 K CA -0.771 55.522 56.287 0.011 0.000 0.864 22 K CB -0.114 32.392 32.500 0.011 0.000 1.013 22 K HN 0.503 nan 8.250 nan 0.000 0.519 23 P HA 0.135 nan 4.420 nan 0.000 0.284 23 P C -0.953 176.377 177.300 0.051 0.000 1.258 23 P CA -0.415 62.721 63.100 0.060 0.000 0.824 23 P CB 0.749 32.490 31.700 0.069 0.000 1.038 24 D N 0.005 120.444 120.400 0.065 0.000 2.346 24 D HA 0.116 4.755 4.640 -0.001 0.000 0.249 24 D C -0.057 176.267 176.300 0.040 0.000 1.308 24 D CA 0.106 54.136 54.000 0.049 0.000 0.987 24 D CB 0.585 41.421 40.800 0.061 0.000 1.114 24 D HN 0.022 nan 8.370 nan 0.000 0.529 25 V N 1.399 121.330 119.914 0.029 0.000 2.427 25 V HA 0.048 4.167 4.120 -0.001 0.000 0.286 25 V C -0.000 176.105 176.094 0.018 0.000 1.034 25 V CA -0.789 61.524 62.300 0.022 0.000 0.893 25 V CB 1.647 33.479 31.823 0.016 0.000 0.982 25 V HN 0.261 nan 8.190 nan 0.000 0.452 26 L N 7.307 128.539 121.223 0.015 0.000 2.638 26 L HA 0.274 4.613 4.340 -0.001 0.000 0.273 26 L C 0.628 177.501 176.870 0.005 0.000 1.147 26 L CA 0.693 55.538 54.840 0.008 0.000 0.941 26 L CB -0.016 42.047 42.059 0.007 0.000 1.251 26 L HN 0.925 nan 8.230 nan 0.000 0.479 27 T N 0.958 115.512 114.554 0.000 0.000 2.952 27 T HA 0.682 5.032 4.350 -0.001 0.000 0.286 27 T C 0.591 175.286 174.700 -0.009 0.000 1.024 27 T CA -0.174 61.925 62.100 -0.002 0.000 1.029 27 T CB 1.165 70.032 68.868 -0.002 0.000 1.094 27 T HN 0.689 nan 8.240 nan 0.000 0.515 28 T N -1.014 113.537 114.554 -0.005 0.000 2.689 28 T HA 0.400 4.750 4.350 -0.001 0.000 0.308 28 T C 1.849 176.538 174.700 -0.019 0.000 1.021 28 T CA -0.092 62.003 62.100 -0.008 0.000 0.973 28 T CB -0.303 68.566 68.868 0.002 0.000 1.113 28 T HN 0.840 nan 8.240 nan 0.000 0.522 29 G N -0.263 108.524 108.800 -0.021 0.000 2.418 29 G HA2 0.066 4.026 3.960 -0.001 0.000 0.217 29 G HA3 0.066 4.026 3.960 -0.001 0.000 0.217 29 G C 1.521 176.411 174.900 -0.016 0.000 1.158 29 G CA 0.422 45.504 45.100 -0.029 0.000 0.771 29 G HN 1.030 nan 8.290 nan 0.000 0.545 30 G N -0.318 108.479 108.800 -0.005 0.000 2.776 30 G HA2 0.350 4.309 3.960 -0.001 0.000 0.209 30 G HA3 0.350 4.309 3.960 -0.001 0.000 0.209 30 G C 1.235 176.134 174.900 -0.002 0.000 1.145 30 G CA 0.538 45.638 45.100 -0.001 0.000 0.791 30 G HN 1.463 nan 8.290 nan 0.000 0.530 31 G N -0.592 108.205 108.800 -0.005 0.000 2.137 31 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.237 31 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.237 31 G C 0.018 174.918 174.900 0.001 0.000 1.002 31 G CA -0.001 45.097 45.100 -0.003 0.000 0.702 31 G HN 0.631 nan 8.290 nan 0.000 0.515 32 N N 1.419 120.121 118.700 0.002 0.000 2.518 32 N HA 0.502 5.241 4.740 -0.001 0.000 0.283 32 N C -2.682 172.832 175.510 0.006 0.000 1.119 32 N CA -1.664 51.389 53.050 0.005 0.000 0.983 32 N CB 1.288 39.779 38.487 0.008 0.000 1.139 32 N HN 0.041 nan 8.380 nan 0.000 0.465 33 P HA 0.008 nan 4.420 nan 0.000 0.268 33 P C -0.842 176.464 177.300 0.010 0.000 1.204 33 P CA -0.062 63.042 63.100 0.008 0.000 0.768 33 P CB 0.643 32.348 31.700 0.008 0.000 0.842 34 V N 3.579 123.499 119.914 0.010 0.000 2.370 34 V HA 0.336 4.456 4.120 -0.001 0.000 0.279 34 V C 1.584 177.686 176.094 0.012 0.000 1.029 34 V CA 0.263 62.571 62.300 0.012 0.000 0.870 34 V CB 0.761 32.591 31.823 0.012 0.000 0.984 34 V HN 0.777 nan 8.190 nan 0.000 0.451 35 G N 2.952 111.759 108.800 0.013 0.000 2.424 35 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.214 35 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.214 35 G C 0.345 175.251 174.900 0.010 0.000 1.202 35 G CA 0.757 45.863 45.100 0.011 0.000 0.793 35 G HN 0.676 nan 8.290 nan 0.000 0.534 36 D N -0.842 119.565 120.400 0.012 0.000 2.736 36 D HA 0.211 4.851 4.640 -0.001 0.000 0.243 36 D C 0.361 176.671 176.300 0.017 0.000 1.304 36 D CA -0.614 53.393 54.000 0.011 0.000 0.934 36 D CB 1.779 42.584 40.800 0.007 0.000 1.382 36 D HN 0.255 nan 8.370 nan 0.000 0.571 37 K N 3.507 123.917 120.400 0.016 0.000 2.358 37 K HA 0.264 4.584 4.320 -0.001 0.000 0.200 37 K C 0.520 177.131 176.600 0.020 0.000 1.030 37 K CA 0.057 56.358 56.287 0.024 0.000 1.097 37 K CB 0.259 32.769 32.500 0.017 0.000 0.862 37 K HN 0.348 nan 8.250 nan 0.000 0.534 38 L N 0.413 121.642 121.223 0.010 0.000 2.607 38 L HA 0.280 4.619 4.340 -0.001 0.000 0.228 38 L C -0.374 176.497 176.870 0.001 0.000 1.123 38 L CA -0.201 54.641 54.840 0.003 0.000 0.890 38 L CB -0.104 41.953 42.059 -0.002 0.000 1.103 38 L HN 0.206 nan 8.230 nan 0.000 0.468 39 N N -0.413 118.289 118.700 0.003 0.000 2.454 39 N HA 0.210 4.949 4.740 -0.001 0.000 0.291 39 N C -0.614 174.889 175.510 -0.012 0.000 1.079 39 N CA -0.156 52.889 53.050 -0.009 0.000 0.893 39 N CB 2.097 40.577 38.487 -0.011 0.000 1.512 39 N HN -0.174 nan 8.380 nan 0.000 0.497 40 S N 1.071 116.748 115.700 -0.038 0.000 2.580 40 S HA 0.104 4.574 4.470 -0.001 0.000 0.261 40 S C 0.247 174.809 174.600 -0.063 0.000 1.366 40 S CA -0.235 57.919 58.200 -0.078 0.000 0.996 40 S CB 0.513 63.609 63.200 -0.174 0.000 0.902 40 S HN 0.372 nan 8.310 nan 0.000 0.566 41 L N 3.257 124.436 121.223 -0.074 0.000 2.262 41 L HA 0.461 4.800 4.340 -0.001 0.000 0.288 41 L C 0.188 177.018 176.870 -0.066 0.000 1.035 41 L CA 0.114 54.925 54.840 -0.048 0.000 0.820 41 L CB -0.122 41.924 42.059 -0.022 0.000 1.204 41 L HN 0.982 nan 8.230 nan 0.000 0.424 42 T N 1.381 115.903 114.554 -0.053 0.000 2.901 42 T HA 0.459 4.809 4.350 -0.001 0.000 0.293 42 T C -0.478 174.201 174.700 -0.035 0.000 1.084 42 T CA -0.714 61.354 62.100 -0.053 0.000 1.008 42 T CB 2.098 70.930 68.868 -0.059 0.000 1.170 42 T HN 0.269 nan 8.240 nan 0.000 0.509 43 V N 2.053 121.948 119.914 -0.032 0.000 2.320 43 V HA 0.655 4.774 4.120 -0.001 0.000 0.265 43 V C 0.591 176.672 176.094 -0.022 0.000 1.048 43 V CA 1.299 63.586 62.300 -0.023 0.000 0.865 43 V CB -0.603 31.208 31.823 -0.020 0.000 1.043 43 V HN 1.855 nan 8.190 nan 0.000 0.474 44 G N 7.059 115.848 108.800 -0.019 0.000 2.707 44 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.686 44 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.686 44 G C -2.127 172.761 174.900 -0.021 0.000 1.315 44 G CA -0.231 44.859 45.100 -0.018 0.000 0.832 44 G HN 0.566 nan 8.290 nan 0.000 0.573 45 P HA 0.132 nan 4.420 nan 0.000 0.227 45 P C 1.108 178.394 177.300 -0.023 0.000 1.161 45 P CA 0.936 64.024 63.100 -0.020 0.000 0.788 45 P CB 0.181 31.872 31.700 -0.016 0.000 0.822 46 R N -0.575 119.912 120.500 -0.022 0.000 2.698 46 R HA 0.414 4.754 4.340 -0.001 0.000 0.422 46 R C 0.568 176.852 176.300 -0.026 0.000 1.073 46 R CA -0.187 55.898 56.100 -0.024 0.000 1.054 46 R CB 0.530 30.819 30.300 -0.019 0.000 1.373 46 R HN 0.073 nan 8.270 nan 0.000 0.593 47 G N 0.686 109.468 108.800 -0.029 0.000 2.488 47 G HA2 0.504 4.463 3.960 -0.001 0.000 0.318 47 G HA3 0.504 4.463 3.960 -0.001 0.000 0.318 47 G C -2.433 172.443 174.900 -0.040 0.000 1.188 47 G CA -1.394 43.688 45.100 -0.030 0.000 0.944 47 G HN -0.069 nan 8.290 nan 0.000 0.495 48 P HA 0.158 nan 4.420 nan 0.000 0.272 48 P C -0.055 177.205 177.300 -0.066 0.000 1.240 48 P CA -0.654 62.416 63.100 -0.049 0.000 0.791 48 P CB 0.797 32.475 31.700 -0.036 0.000 0.978 49 L N 2.100 123.269 121.223 -0.091 0.000 2.410 49 L HA 0.124 4.463 4.340 -0.001 0.000 0.273 49 L C -0.416 176.400 176.870 -0.090 0.000 1.144 49 L CA -0.392 54.369 54.840 -0.132 0.000 0.863 49 L CB 0.029 41.960 42.059 -0.213 0.000 1.140 49 L HN 0.164 nan 8.230 nan 0.000 0.463 50 L N 5.760 126.936 121.223 -0.077 0.000 2.292 50 L HA 0.099 4.439 4.340 -0.001 0.000 0.284 50 L C 1.312 178.176 176.870 -0.011 0.000 1.065 50 L CA 0.107 54.926 54.840 -0.035 0.000 0.806 50 L CB 1.344 43.389 42.059 -0.023 0.000 1.175 50 L HN 0.561 nan 8.230 nan 0.000 0.431 51 V N 1.794 121.716 119.914 0.014 0.000 2.380 51 V HA -0.323 3.797 4.120 -0.001 0.000 0.251 51 V C 1.915 178.043 176.094 0.058 0.000 1.063 51 V CA 1.590 63.920 62.300 0.050 0.000 1.055 51 V CB -0.907 30.941 31.823 0.043 0.000 0.657 51 V HN 0.938 nan 8.190 nan 0.000 0.455 52 Q N 0.301 120.121 119.800 0.034 0.000 2.290 52 Q HA -0.240 4.100 4.340 -0.001 0.000 0.211 52 Q C 1.018 177.047 176.000 0.048 0.000 0.991 52 Q CA 1.653 57.476 55.803 0.033 0.000 0.893 52 Q CB -0.307 28.441 28.738 0.017 0.000 0.913 52 Q HN 0.777 nan 8.270 nan 0.000 0.428 53 D N 0.012 120.446 120.400 0.057 0.000 2.455 53 D HA -0.013 4.627 4.640 -0.001 0.000 0.234 53 D C 0.885 177.279 176.300 0.157 0.000 1.224 53 D CA -0.078 53.975 54.000 0.088 0.000 0.999 53 D CB 0.857 41.695 40.800 0.063 0.000 1.072 53 D HN 0.079 nan 8.370 nan 0.000 0.514 54 V N 1.726 121.704 119.914 0.107 0.000 3.306 54 V HA -0.083 4.037 4.120 -0.001 0.000 0.264 54 V C 1.910 178.054 176.094 0.085 0.000 1.149 54 V CA 0.470 62.827 62.300 0.094 0.000 1.143 54 V CB -0.329 31.528 31.823 0.057 0.000 0.767 54 V HN 0.304 nan 8.190 nan 0.000 0.476 55 V N 0.111 120.083 119.914 0.097 0.000 2.307 55 V HA -0.172 3.948 4.120 -0.001 0.000 0.245 55 V C 2.340 178.493 176.094 0.099 0.000 1.045 55 V CA 2.390 64.736 62.300 0.077 0.000 1.024 55 V CB -1.236 30.631 31.823 0.074 0.000 0.651 55 V HN 0.579 nan 8.190 nan 0.000 0.449 56 F N 2.266 122.219 119.950 0.005 0.000 2.046 56 F HA -0.225 4.301 4.527 -0.001 0.000 0.297 56 F C 2.438 178.249 175.800 0.019 0.000 1.123 56 F CA 2.526 60.529 58.000 0.005 0.000 1.199 56 F CB -0.947 38.053 39.000 0.001 0.000 0.972 56 F HN 0.124 nan 8.300 nan 0.000 0.474 57 T N -0.115 114.372 114.554 -0.112 0.000 2.652 57 T HA -0.286 4.063 4.350 -0.001 0.000 0.267 57 T C 1.500 176.098 174.700 -0.170 0.000 1.039 57 T CA 1.832 63.797 62.100 -0.224 0.000 1.153 57 T CB -0.789 68.091 68.868 0.021 0.000 0.863 57 T HN 0.477 nan 8.240 nan 0.000 0.428 58 D N 1.054 121.416 120.400 -0.062 0.000 2.126 58 D HA -0.202 4.437 4.640 -0.001 0.000 0.190 58 D C 2.179 178.462 176.300 -0.027 0.000 1.001 58 D CA 1.919 55.902 54.000 -0.028 0.000 0.841 58 D CB -0.170 40.628 40.800 -0.004 0.000 0.949 58 D HN 0.661 nan 8.370 nan 0.000 0.446 59 E N -1.156 119.011 120.200 -0.055 0.000 2.076 59 E HA -0.185 4.165 4.350 -0.001 0.000 0.190 59 E C 2.034 178.621 176.600 -0.022 0.000 0.979 59 E CA 0.852 57.238 56.400 -0.024 0.000 0.807 59 E CB -0.300 29.379 29.700 -0.036 0.000 0.761 59 E HN 0.267 nan 8.360 nan 0.000 0.454 60 M N 1.372 120.849 119.600 -0.205 0.000 2.086 60 M HA -0.010 4.470 4.480 -0.001 0.000 0.261 60 M C 2.179 178.448 176.300 -0.052 0.000 1.067 60 M CA 2.127 57.293 55.300 -0.223 0.000 1.116 60 M CB -0.805 31.357 32.600 -0.730 0.000 1.348 60 M HN 0.236 nan 8.290 nan 0.000 0.407 61 A N -1.181 121.571 122.820 -0.112 0.000 1.892 61 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 61 A C 2.190 179.761 177.584 -0.022 0.000 1.188 61 A CA 2.457 54.461 52.037 -0.056 0.000 0.631 61 A CB -1.466 17.506 19.000 -0.046 0.000 0.822 61 A HN 0.791 nan 8.150 nan 0.000 0.447 62 H N -2.013 117.037 119.070 -0.033 0.000 2.353 62 H HA -0.141 4.415 4.556 -0.001 0.000 0.300 62 H C 1.684 176.997 175.328 -0.025 0.000 1.090 62 H CA 2.001 58.032 56.048 -0.028 0.000 1.327 62 H CB -0.352 29.399 29.762 -0.019 0.000 1.383 62 H HN 0.471 nan 8.280 nan 0.000 0.508 63 F N 1.549 121.482 119.950 -0.028 0.000 2.120 63 F HA -0.232 4.295 4.527 -0.001 0.000 0.300 63 F C 1.675 177.401 175.800 -0.122 0.000 1.095 63 F CA 1.892 59.855 58.000 -0.062 0.000 1.249 63 F CB -0.361 38.607 39.000 -0.054 0.000 0.995 63 F HN 0.223 nan 8.300 nan 0.000 0.480 64 D N 0.312 120.559 120.400 -0.254 0.000 2.384 64 D HA -0.108 4.532 4.640 -0.001 0.000 0.222 64 D C 1.077 177.178 176.300 -0.331 0.000 0.976 64 D CA 0.893 54.707 54.000 -0.310 0.000 0.915 64 D CB -0.203 40.528 40.800 -0.115 0.000 0.896 64 D HN 0.481 nan 8.370 nan 0.000 0.523 65 R N 0.024 120.300 120.500 -0.374 0.000 2.668 65 R HA 0.219 4.559 4.340 -0.001 0.000 0.435 65 R C 0.864 176.943 176.300 -0.368 0.000 1.059 65 R CA -0.117 55.788 56.100 -0.326 0.000 1.073 65 R CB 0.427 30.566 30.300 -0.269 0.000 1.401 65 R HN 0.067 nan 8.270 nan 0.000 0.590 66 E N 0.614 120.567 120.200 -0.411 0.000 2.216 66 E HA -0.027 4.322 4.350 -0.001 0.000 0.192 66 E C 0.275 176.721 176.600 -0.255 0.000 0.988 66 E CA 0.553 56.733 56.400 -0.368 0.000 0.834 66 E CB 0.212 29.700 29.700 -0.353 0.000 0.772 66 E HN -0.019 nan 8.360 nan 0.000 0.479 67 R N 1.269 121.656 120.500 -0.188 0.000 2.390 67 R HA 0.336 4.676 4.340 -0.001 0.000 0.291 67 R C 0.011 176.303 176.300 -0.013 0.000 1.070 67 R CA -0.207 55.852 56.100 -0.069 0.000 1.014 67 R CB 0.342 30.589 30.300 -0.087 0.000 1.007 67 R HN 0.138 nan 8.270 nan 0.000 0.466 68 I N -0.241 120.368 120.570 0.065 0.000 3.002 68 I HA 0.706 4.876 4.170 -0.001 0.000 0.310 68 I C -2.096 174.023 176.117 0.003 0.000 1.087 68 I CA -2.746 58.571 61.300 0.029 0.000 1.017 68 I CB 2.341 40.380 38.000 0.066 0.000 1.226 68 I HN 0.449 nan 8.210 nan 0.000 0.443 69 P HA 0.069 nan 4.420 nan 0.000 0.265 69 P C -0.760 176.532 177.300 -0.014 0.000 1.193 69 P CA 0.149 63.225 63.100 -0.040 0.000 0.765 69 P CB 0.503 32.143 31.700 -0.099 0.000 0.823 70 E N 3.346 123.559 120.200 0.021 0.000 2.371 70 E HA 0.164 4.514 4.350 -0.001 0.000 0.257 70 E C -0.319 176.300 176.600 0.032 0.000 1.134 70 E CA -0.893 55.530 56.400 0.039 0.000 0.919 70 E CB 0.662 30.396 29.700 0.058 0.000 1.025 70 E HN 0.285 nan 8.360 nan 0.000 0.438 71 R N 0.816 121.343 120.500 0.044 0.000 2.585 71 R HA -0.024 4.316 4.340 -0.001 0.000 0.275 71 R C 1.336 177.666 176.300 0.051 0.000 1.018 71 R CA 0.067 56.192 56.100 0.043 0.000 1.072 71 R CB 0.356 30.704 30.300 0.080 0.000 0.953 71 R HN 0.496 nan 8.270 nan 0.000 0.419 72 V N 2.363 122.298 119.914 0.034 0.000 2.287 72 V HA -0.167 3.953 4.120 -0.001 0.000 0.248 72 V C 1.068 177.202 176.094 0.066 0.000 1.053 72 V CA 1.490 63.816 62.300 0.043 0.000 1.027 72 V CB -0.764 31.076 31.823 0.029 0.000 0.646 72 V HN 0.573 nan 8.190 nan 0.000 0.447 73 V N -2.944 117.043 119.914 0.122 0.000 2.962 73 V HA 0.568 4.688 4.120 -0.001 0.000 0.313 73 V C 0.241 176.528 176.094 0.323 0.000 1.099 73 V CA -0.887 61.536 62.300 0.205 0.000 0.971 73 V CB 1.352 33.388 31.823 0.355 0.000 1.028 73 V HN 0.494 nan 8.190 nan 0.000 0.430 74 H N 0.355 119.482 119.070 0.095 0.000 2.839 74 H HA -0.217 4.339 4.556 -0.000 0.000 0.298 74 H C 1.504 176.884 175.328 0.086 0.000 1.224 74 H CA 0.629 56.737 56.048 0.100 0.000 1.144 74 H CB -1.013 28.816 29.762 0.112 0.000 1.372 74 H HN 1.046 nan 8.280 nan 0.000 0.408 75 A N 0.603 123.515 122.820 0.154 0.000 1.969 75 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 75 A C 1.450 179.118 177.584 0.140 0.000 1.169 75 A CA 1.405 53.518 52.037 0.127 0.000 0.635 75 A CB 0.079 19.132 19.000 0.088 0.000 0.810 75 A HN 0.277 nan 8.150 nan 0.000 0.445 76 K N -0.301 120.176 120.400 0.128 0.000 2.234 76 K HA 0.523 4.843 4.320 -0.001 0.000 0.277 76 K C 0.060 176.762 176.600 0.170 0.000 1.038 76 K CA 0.580 56.950 56.287 0.139 0.000 0.888 76 K CB 0.728 33.289 32.500 0.101 0.000 1.091 76 K HN 0.370 nan 8.250 nan 0.000 0.467 77 G N 1.438 110.365 108.800 0.212 0.000 2.428 77 G HA2 0.654 4.614 3.960 -0.001 0.000 0.305 77 G HA3 0.654 4.614 3.960 -0.001 0.000 0.305 77 G C -1.747 173.335 174.900 0.304 0.000 1.260 77 G CA -0.296 44.937 45.100 0.222 0.000 0.853 77 G HN 0.797 nan 8.290 nan 0.000 0.480 78 A N -1.975 120.999 122.820 0.258 0.000 2.610 78 A HA 1.028 5.348 4.320 -0.001 0.000 0.291 78 A C -0.250 177.449 177.584 0.191 0.000 1.086 78 A CA 0.278 52.521 52.037 0.343 0.000 0.677 78 A CB 1.484 20.713 19.000 0.382 0.000 1.278 78 A HN 2.393 nan 8.150 nan 0.000 0.414 79 G N -1.329 107.565 108.800 0.157 0.000 2.690 79 G HA2 0.933 4.892 3.960 -0.001 0.000 0.291 79 G HA3 0.933 4.892 3.960 -0.001 0.000 0.291 79 G C -0.753 174.112 174.900 -0.057 0.000 1.403 79 G CA 0.257 45.328 45.100 -0.048 0.000 0.864 79 G HN 2.110 nan 8.290 nan 0.000 0.480 80 A N -0.563 122.117 122.820 -0.233 0.000 2.588 80 A HA 0.918 5.238 4.320 -0.001 0.000 0.290 80 A C -1.761 175.519 177.584 -0.506 0.000 1.136 80 A CA -0.743 51.172 52.037 -0.203 0.000 0.681 80 A CB 1.060 20.122 19.000 0.105 0.000 1.282 80 A HN 0.722 nan 8.150 nan 0.000 0.421 81 F N -0.870 119.131 119.950 0.085 0.000 2.594 81 F HA 0.848 5.375 4.527 -0.000 0.000 0.335 81 F C 1.116 176.943 175.800 0.045 0.000 1.058 81 F CA 0.604 58.644 58.000 0.066 0.000 0.981 81 F CB 2.374 41.413 39.000 0.065 0.000 1.289 81 F HN 1.086 nan 8.300 nan 0.000 0.490 82 G N -0.121 108.840 108.800 0.269 0.000 2.623 82 G HA2 0.424 4.383 3.960 -0.001 0.000 0.085 82 G HA3 0.424 4.383 3.960 -0.001 0.000 0.085 82 G C -1.883 173.187 174.900 0.285 0.000 1.116 82 G CA 0.088 45.288 45.100 0.168 0.000 1.200 82 G HN 0.986 nan 8.290 nan 0.000 0.556 83 Y N -1.817 118.577 120.300 0.155 0.000 2.814 83 Y HA 0.771 5.320 4.550 -0.000 0.000 0.348 83 Y C -2.062 174.000 175.900 0.271 0.000 1.245 83 Y CA -2.036 56.178 58.100 0.190 0.000 1.086 83 Y CB 0.949 39.507 38.460 0.164 0.000 1.373 83 Y HN 1.080 nan 8.280 nan 0.000 0.451 84 F N 1.854 122.057 119.950 0.421 0.000 2.546 84 F HA 0.755 5.282 4.527 -0.001 0.000 0.320 84 F C -1.021 175.076 175.800 0.494 0.000 1.076 84 F CA -0.756 57.466 58.000 0.371 0.000 0.928 84 F CB 2.165 41.416 39.000 0.418 0.000 1.189 84 F HN 0.756 nan 8.300 nan 0.000 0.465 85 E N 4.888 124.857 120.200 -0.385 0.000 2.274 85 E HA 0.521 4.871 4.350 -0.001 0.000 0.269 85 E C -1.793 174.456 176.600 -0.585 0.000 0.891 85 E CA -0.876 55.348 56.400 -0.294 0.000 0.784 85 E CB 1.820 31.573 29.700 0.089 0.000 1.225 85 E HN 0.556 nan 8.360 nan 0.000 0.412 86 V N 3.587 123.244 119.914 -0.428 0.000 2.655 86 V HA 0.150 4.269 4.120 -0.001 0.000 0.300 86 V C 1.159 177.205 176.094 -0.079 0.000 1.044 86 V CA 0.811 62.973 62.300 -0.230 0.000 1.095 86 V CB 0.886 32.705 31.823 -0.007 0.000 0.952 86 V HN 0.968 nan 8.190 nan 0.000 0.485 87 T N -0.811 113.739 114.554 -0.006 0.000 3.087 87 T HA 0.340 4.690 4.350 -0.001 0.000 0.283 87 T C 0.096 174.804 174.700 0.015 0.000 0.956 87 T CA -0.072 62.051 62.100 0.038 0.000 0.894 87 T CB -0.144 68.784 68.868 0.099 0.000 1.160 87 T HN 0.735 nan 8.240 nan 0.000 0.532 88 H N 0.101 119.160 119.070 -0.019 0.000 2.990 88 H HA 0.610 5.165 4.556 -0.000 0.000 0.343 88 H C -1.754 173.581 175.328 0.011 0.000 1.270 88 H CA -0.769 55.278 56.048 -0.002 0.000 1.118 88 H CB 1.861 31.615 29.762 -0.013 0.000 1.861 88 H HN 0.086 nan 8.280 nan 0.000 0.544 89 D N 2.025 122.507 120.400 0.137 0.000 2.464 89 D HA 0.152 4.791 4.640 -0.001 0.000 0.243 89 D C -0.057 176.300 176.300 0.095 0.000 1.104 89 D CA -0.296 53.761 54.000 0.095 0.000 0.883 89 D CB 0.504 41.340 40.800 0.059 0.000 1.050 89 D HN 0.542 nan 8.370 nan 0.000 0.524 90 I N 1.124 121.747 120.570 0.088 0.000 3.941 90 I HA 0.098 4.268 4.170 -0.001 0.000 0.335 90 I C 2.083 178.269 176.117 0.116 0.000 1.402 90 I CA -0.342 61.035 61.300 0.128 0.000 1.112 90 I CB 0.003 38.068 38.000 0.108 0.000 1.043 90 I HN 0.147 nan 8.210 nan 0.000 0.395 91 T N -0.472 114.135 114.554 0.088 0.000 2.996 91 T HA -0.174 4.176 4.350 -0.001 0.000 0.271 91 T C 1.677 176.388 174.700 0.018 0.000 1.126 91 T CA 1.327 63.478 62.100 0.085 0.000 1.103 91 T CB -0.562 68.351 68.868 0.074 0.000 0.870 91 T HN 0.546 nan 8.240 nan 0.000 0.528 92 R N -1.074 119.383 120.500 -0.073 0.000 2.313 92 R HA 0.280 4.619 4.340 -0.001 0.000 0.199 92 R C 1.104 177.242 176.300 -0.268 0.000 0.958 92 R CA 0.457 56.436 56.100 -0.201 0.000 1.047 92 R CB -0.539 29.565 30.300 -0.326 0.000 0.955 92 R HN 0.400 nan 8.270 nan 0.000 0.481 93 Y N -0.326 119.986 120.300 0.021 0.000 2.607 93 Y HA 0.324 4.874 4.550 -0.000 0.000 0.276 93 Y C 0.457 176.372 175.900 0.025 0.000 1.117 93 Y CA -0.095 58.016 58.100 0.018 0.000 1.273 93 Y CB 0.866 39.334 38.460 0.013 0.000 1.282 93 Y HN 0.065 nan 8.280 nan 0.000 0.514 94 S N -0.024 115.801 115.700 0.207 0.000 2.566 94 S HA 0.350 4.819 4.470 -0.001 0.000 0.273 94 S C -0.528 174.140 174.600 0.113 0.000 1.157 94 S CA -0.917 57.369 58.200 0.142 0.000 0.938 94 S CB 1.479 64.782 63.200 0.172 0.000 1.087 94 S HN 0.242 nan 8.310 nan 0.000 0.474 95 K N 2.349 122.770 120.400 0.036 0.000 2.522 95 K HA 0.491 4.810 4.320 -0.001 0.000 0.194 95 K C 0.663 177.230 176.600 -0.055 0.000 1.026 95 K CA 0.352 56.643 56.287 0.007 0.000 1.119 95 K CB -0.411 32.084 32.500 -0.008 0.000 0.856 95 K HN 0.727 nan 8.250 nan 0.000 0.513 96 A N 2.192 124.940 122.820 -0.119 0.000 2.540 96 A HA -0.035 4.284 4.320 -0.001 0.000 0.264 96 A C 0.906 178.293 177.584 -0.327 0.000 1.080 96 A CA -0.017 51.814 52.037 -0.343 0.000 0.776 96 A CB -0.000 18.575 19.000 -0.708 0.000 1.011 96 A HN 0.379 nan 8.150 nan 0.000 0.514 97 K N 2.017 122.273 120.400 -0.240 0.000 2.242 97 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 97 K C 1.699 178.184 176.600 -0.190 0.000 1.045 97 K CA 1.643 57.831 56.287 -0.166 0.000 0.930 97 K CB -0.224 32.199 32.500 -0.128 0.000 0.726 97 K HN 0.653 nan 8.250 nan 0.000 0.462 98 V N 0.593 120.286 119.914 -0.367 0.000 2.720 98 V HA -0.180 3.940 4.120 -0.001 0.000 0.256 98 V C 0.738 176.818 176.094 -0.024 0.000 1.082 98 V CA 1.529 63.650 62.300 -0.298 0.000 1.101 98 V CB -0.283 31.176 31.823 -0.607 0.000 0.693 98 V HN 0.156 nan 8.190 nan 0.000 0.479 99 F N 0.150 120.105 119.950 0.008 0.000 2.750 99 F HA 0.393 4.919 4.527 -0.001 0.000 0.297 99 F C 1.413 177.204 175.800 -0.016 0.000 1.138 99 F CA -0.655 57.376 58.000 0.051 0.000 1.346 99 F CB -0.738 38.285 39.000 0.040 0.000 0.965 99 F HN 0.177 nan 8.300 nan 0.000 0.514 100 E N 1.632 121.854 120.200 0.036 0.000 2.081 100 E HA -0.249 4.101 4.350 -0.001 0.000 0.235 100 E C 0.301 176.895 176.600 -0.010 0.000 1.043 100 E CA 2.523 58.870 56.400 -0.088 0.000 0.924 100 E CB -0.066 29.421 29.700 -0.355 0.000 0.821 100 E HN 0.627 nan 8.360 nan 0.000 0.517 101 H N -2.969 116.158 119.070 0.094 0.000 2.943 101 H HA 0.475 5.030 4.556 -0.001 0.000 0.323 101 H C -0.449 174.915 175.328 0.059 0.000 1.296 101 H CA -0.943 55.143 56.048 0.065 0.000 1.155 101 H CB 0.186 29.971 29.762 0.038 0.000 1.882 101 H HN 0.012 nan 8.280 nan 0.000 0.553 102 I N 0.373 121.095 120.570 0.253 0.000 2.634 102 I HA 0.348 4.517 4.170 -0.001 0.000 0.284 102 I C 1.586 177.817 176.117 0.190 0.000 1.124 102 I CA 0.981 62.367 61.300 0.144 0.000 1.417 102 I CB 0.020 38.052 38.000 0.054 0.000 1.396 102 I HN 1.174 nan 8.210 nan 0.000 0.571 103 G N 4.395 113.255 108.800 0.099 0.000 2.213 103 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.236 103 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.236 103 G C 0.569 175.524 174.900 0.092 0.000 0.991 103 G CA -0.256 44.896 45.100 0.086 0.000 0.629 103 G HN 0.588 nan 8.290 nan 0.000 0.517 104 K N 1.550 122.007 120.400 0.094 0.000 2.430 104 K HA 0.210 4.530 4.320 -0.001 0.000 0.280 104 K C 0.436 177.055 176.600 0.032 0.000 1.063 104 K CA 0.264 56.551 56.287 -0.000 0.000 1.071 104 K CB 0.025 32.420 32.500 -0.175 0.000 0.899 104 K HN 0.464 nan 8.250 nan 0.000 0.473 105 R N 2.066 122.596 120.500 0.049 0.000 2.393 105 R HA 0.294 4.634 4.340 -0.001 0.000 0.310 105 R C -0.516 175.883 176.300 0.166 0.000 0.968 105 R CA -0.440 55.711 56.100 0.085 0.000 0.867 105 R CB 1.737 32.000 30.300 -0.062 0.000 1.124 105 R HN 0.377 nan 8.270 nan 0.000 0.450 106 T N 5.245 119.993 114.554 0.323 0.000 2.841 106 T HA 0.357 4.707 4.350 -0.001 0.000 0.285 106 T C -2.465 172.462 174.700 0.379 0.000 0.991 106 T CA -1.578 60.728 62.100 0.342 0.000 0.966 106 T CB 1.835 70.978 68.868 0.459 0.000 0.962 106 T HN 0.371 nan 8.240 nan 0.000 0.438 107 P HA 0.469 nan 4.420 nan 0.000 0.272 107 P C -0.641 176.890 177.300 0.385 0.000 1.230 107 P CA -0.419 62.874 63.100 0.322 0.000 0.788 107 P CB 0.729 32.559 31.700 0.217 0.000 0.949 108 I N -3.030 117.746 120.570 0.344 0.000 3.279 108 I HA 0.898 5.068 4.170 -0.001 0.000 0.315 108 I C -1.716 174.621 176.117 0.366 0.000 1.225 108 I CA -1.633 59.803 61.300 0.227 0.000 0.947 108 I CB 2.022 39.895 38.000 -0.211 0.000 1.293 108 I HN 0.360 nan 8.210 nan 0.000 0.468 109 A N 1.888 124.811 122.820 0.171 0.000 2.449 109 A HA 0.866 5.186 4.320 -0.001 0.000 0.302 109 A C -1.371 176.110 177.584 -0.171 0.000 1.048 109 A CA -0.605 51.442 52.037 0.018 0.000 0.708 109 A CB 1.848 20.999 19.000 0.252 0.000 1.274 109 A HN 0.612 nan 8.150 nan 0.000 0.410 110 V N 1.464 121.175 119.914 -0.339 0.000 2.962 110 V HA 0.730 4.850 4.120 -0.001 0.000 0.313 110 V C -0.172 175.627 176.094 -0.492 0.000 1.099 110 V CA -0.692 61.360 62.300 -0.413 0.000 0.971 110 V CB 2.200 33.753 31.823 -0.450 0.000 1.028 110 V HN 0.948 nan 8.190 nan 0.000 0.430 111 R N 1.934 122.054 120.500 -0.634 0.000 2.533 111 R HA 0.613 4.953 4.340 -0.001 0.000 0.288 111 R C -1.921 173.956 176.300 -0.705 0.000 1.039 111 R CA -0.404 55.386 56.100 -0.518 0.000 0.909 111 R CB 1.507 31.732 30.300 -0.124 0.000 1.195 111 R HN 0.559 nan 8.270 nan 0.000 0.438 112 F N 1.351 121.134 119.950 -0.279 0.000 2.440 112 F HA 0.636 5.163 4.527 -0.000 0.000 0.328 112 F C 0.558 176.206 175.800 -0.254 0.000 1.070 112 F CA -0.202 57.541 58.000 -0.429 0.000 1.011 112 F CB 2.072 40.431 39.000 -1.068 0.000 1.226 112 F HN 0.611 nan 8.300 nan 0.000 0.491 113 S N -1.364 114.378 115.700 0.070 0.000 2.645 113 S HA 0.528 4.998 4.470 -0.001 0.000 0.268 113 S C -0.702 173.995 174.600 0.162 0.000 1.110 113 S CA -0.650 57.642 58.200 0.153 0.000 0.823 113 S CB 0.852 64.187 63.200 0.225 0.000 1.091 113 S HN 0.801 nan 8.310 nan 0.000 0.466 114 T N -0.864 113.748 114.554 0.096 0.000 2.990 114 T HA 0.787 5.136 4.350 -0.001 0.000 0.296 114 T C 0.992 175.552 174.700 -0.234 0.000 1.189 114 T CA 0.235 62.337 62.100 0.004 0.000 0.938 114 T CB -0.079 68.804 68.868 0.025 0.000 1.994 114 T HN 0.985 nan 8.240 nan 0.000 0.584 115 V N -0.123 119.659 119.914 -0.220 0.000 3.938 115 V HA 0.418 4.538 4.120 -0.001 0.000 0.193 115 V C 2.897 178.906 176.094 -0.142 0.000 1.148 115 V CA 0.328 62.428 62.300 -0.332 0.000 1.354 115 V CB -1.190 30.517 31.823 -0.194 0.000 1.627 115 V HN 0.949 nan 8.190 nan 0.000 0.512 116 A N 0.988 123.733 122.820 -0.125 0.000 1.940 116 A HA 0.063 4.383 4.320 -0.001 0.000 0.219 116 A C 1.617 179.144 177.584 -0.095 0.000 1.176 116 A CA 1.609 53.564 52.037 -0.137 0.000 0.631 116 A CB -1.357 17.534 19.000 -0.182 0.000 0.814 116 A HN 0.753 nan 8.150 nan 0.000 0.446 117 G N -0.438 108.325 108.800 -0.062 0.000 2.559 117 G HA2 0.392 4.352 3.960 -0.001 0.000 0.235 117 G HA3 0.392 4.352 3.960 -0.001 0.000 0.235 117 G C -0.186 174.709 174.900 -0.008 0.000 1.266 117 G CA -0.169 44.912 45.100 -0.032 0.000 0.847 117 G HN 0.490 nan 8.290 nan 0.000 0.583 118 E N -0.207 119.993 120.200 0.000 0.000 2.504 118 E HA 0.362 4.711 4.350 -0.001 0.000 0.253 118 E C 1.706 178.333 176.600 0.044 0.000 1.151 118 E CA -0.363 56.050 56.400 0.022 0.000 0.972 118 E CB 0.813 30.523 29.700 0.017 0.000 1.247 118 E HN 0.268 nan 8.360 nan 0.000 0.519 119 S N -0.299 115.435 115.700 0.057 0.000 2.402 119 S HA -0.157 4.313 4.470 -0.001 0.000 0.233 119 S C 1.706 176.339 174.600 0.054 0.000 1.030 119 S CA 1.371 59.615 58.200 0.072 0.000 1.003 119 S CB -0.399 62.849 63.200 0.080 0.000 0.813 119 S HN 0.681 nan 8.310 nan 0.000 0.477 120 G N 0.976 109.801 108.800 0.041 0.000 2.777 120 G HA2 0.087 4.046 3.960 -0.001 0.000 0.211 120 G HA3 0.087 4.046 3.960 -0.001 0.000 0.211 120 G C 0.609 175.527 174.900 0.031 0.000 1.149 120 G CA 0.407 45.527 45.100 0.033 0.000 0.785 120 G HN 0.566 nan 8.290 nan 0.000 0.536 121 S N 0.157 115.876 115.700 0.032 0.000 2.589 121 S HA 0.468 4.938 4.470 -0.001 0.000 0.256 121 S C 0.317 174.942 174.600 0.041 0.000 1.383 121 S CA 0.363 58.581 58.200 0.030 0.000 0.983 121 S CB 0.908 64.122 63.200 0.022 0.000 0.908 121 S HN 0.828 nan 8.310 nan 0.000 0.572 122 A N 1.075 123.921 122.820 0.044 0.000 2.337 122 A HA 0.540 4.859 4.320 -0.001 0.000 0.329 122 A C 0.697 178.322 177.584 0.068 0.000 1.146 122 A CA -0.710 51.360 52.037 0.055 0.000 0.800 122 A CB 0.758 19.790 19.000 0.053 0.000 1.220 122 A HN 0.888 nan 8.150 nan 0.000 0.472 123 D N 1.218 121.671 120.400 0.087 0.000 2.087 123 D HA -0.121 4.519 4.640 -0.001 0.000 0.192 123 D C 1.181 177.537 176.300 0.094 0.000 0.993 123 D CA 2.243 56.306 54.000 0.104 0.000 0.828 123 D CB -0.873 39.986 40.800 0.099 0.000 0.968 123 D HN 0.649 nan 8.370 nan 0.000 0.448 124 T N 0.648 115.264 114.554 0.105 0.000 4.292 124 T HA 0.156 4.506 4.350 -0.001 0.000 0.259 124 T C 0.328 175.067 174.700 0.065 0.000 0.931 124 T CA -0.118 62.042 62.100 0.100 0.000 1.255 124 T CB -0.740 68.182 68.868 0.090 0.000 1.249 124 T HN -0.073 nan 8.240 nan 0.000 0.651 125 V N 0.289 120.236 119.914 0.054 0.000 3.078 125 V HA 0.471 4.591 4.120 -0.001 0.000 0.311 125 V C -0.210 175.889 176.094 0.009 0.000 1.138 125 V CA -1.813 60.504 62.300 0.028 0.000 1.007 125 V CB 2.348 34.181 31.823 0.017 0.000 1.045 125 V HN 0.461 nan 8.190 nan 0.000 0.432 126 R N 3.235 123.718 120.500 -0.029 0.000 2.413 126 R HA 0.314 4.654 4.340 -0.001 0.000 0.333 126 R C -1.196 175.062 176.300 -0.071 0.000 1.074 126 R CA 0.518 56.574 56.100 -0.074 0.000 0.982 126 R CB -0.440 29.756 30.300 -0.173 0.000 0.981 126 R HN 0.787 nan 8.270 nan 0.000 0.452 127 D N 3.925 124.319 120.400 -0.010 0.000 2.648 127 D HA 0.360 5.000 4.640 -0.001 0.000 0.244 127 D C -2.739 173.612 176.300 0.084 0.000 1.244 127 D CA -1.554 52.464 54.000 0.030 0.000 0.772 127 D CB 2.268 43.075 40.800 0.011 0.000 1.379 127 D HN 0.177 nan 8.370 nan 0.000 0.428 128 P HA 0.493 nan 4.420 nan 0.000 0.275 128 P C -0.931 176.458 177.300 0.149 0.000 1.270 128 P CA -0.434 62.765 63.100 0.166 0.000 0.791 128 P CB 0.587 32.434 31.700 0.244 0.000 1.089 129 R N -1.064 119.551 120.500 0.191 0.000 2.744 129 R HA 0.701 5.041 4.340 -0.001 0.000 0.279 129 R C -0.303 176.171 176.300 0.290 0.000 0.977 129 R CA -0.529 55.697 56.100 0.209 0.000 0.906 129 R CB 1.487 31.912 30.300 0.208 0.000 1.197 129 R HN 0.614 nan 8.270 nan 0.000 0.463 130 G N 1.455 110.449 108.800 0.323 0.000 2.335 130 G HA2 0.455 4.415 3.960 -0.001 0.000 0.316 130 G HA3 0.455 4.415 3.960 -0.001 0.000 0.316 130 G C -1.422 173.588 174.900 0.183 0.000 1.129 130 G CA -0.026 45.267 45.100 0.322 0.000 0.899 130 G HN 0.362 nan 8.290 nan 0.000 0.448 131 F N 3.508 123.406 119.950 -0.087 0.000 2.564 131 F HA 0.654 5.181 4.527 -0.000 0.000 0.361 131 F C 0.119 175.675 175.800 -0.407 0.000 1.161 131 F CA -2.110 55.745 58.000 -0.242 0.000 1.198 131 F CB 0.786 39.758 39.000 -0.047 0.000 1.424 131 F HN 0.595 nan 8.300 nan 0.000 0.517 132 A N 4.091 126.634 122.820 -0.461 0.000 2.301 132 A HA 0.767 5.087 4.320 -0.001 0.000 0.312 132 A C -1.157 175.813 177.584 -1.023 0.000 1.182 132 A CA -0.458 51.020 52.037 -0.931 0.000 0.826 132 A CB 1.010 19.062 19.000 -1.581 0.000 1.134 132 A HN 0.336 nan 8.150 nan 0.000 0.501 133 V N 2.529 121.893 119.914 -0.916 0.000 2.487 133 V HA 0.450 4.569 4.120 -0.001 0.000 0.298 133 V C -0.024 175.707 176.094 -0.604 0.000 1.028 133 V CA -0.736 61.071 62.300 -0.822 0.000 0.860 133 V CB 1.602 32.767 31.823 -1.097 0.000 0.991 133 V HN 0.927 nan 8.190 nan 0.000 0.427 134 K N 4.023 124.186 120.400 -0.394 0.000 2.265 134 K HA 0.601 4.921 4.320 -0.001 0.000 0.267 134 K C -1.708 174.512 176.600 -0.632 0.000 0.994 134 K CA -0.464 55.607 56.287 -0.360 0.000 0.860 134 K CB 0.880 33.185 32.500 -0.326 0.000 1.099 134 K HN 0.487 nan 8.250 nan 0.000 0.448 135 F N 4.271 123.964 119.950 -0.429 0.000 2.361 135 F HA 0.267 4.794 4.527 -0.001 0.000 0.364 135 F C -0.501 175.145 175.800 -0.256 0.000 1.117 135 F CA -0.684 57.175 58.000 -0.236 0.000 1.071 135 F CB 0.792 39.750 39.000 -0.069 0.000 1.188 135 F HN 0.450 nan 8.300 nan 0.000 0.464 136 Y N 1.761 122.081 120.300 0.034 0.000 2.623 136 Y HA 0.173 4.722 4.550 -0.001 0.000 0.341 136 Y C 1.219 177.068 175.900 -0.085 0.000 1.292 136 Y CA -0.755 57.264 58.100 -0.134 0.000 1.840 136 Y CB -0.565 37.656 38.460 -0.399 0.000 1.865 136 Y HN 0.552 nan 8.280 nan 0.000 0.440 137 T N -2.634 111.962 114.554 0.069 0.000 2.788 137 T HA 0.120 4.470 4.350 -0.001 0.000 0.280 137 T C 1.056 175.742 174.700 -0.024 0.000 0.984 137 T CA -0.663 61.453 62.100 0.028 0.000 0.972 137 T CB 1.019 69.874 68.868 -0.023 0.000 1.039 137 T HN 0.460 nan 8.240 nan 0.000 0.530 138 E N -0.128 120.051 120.200 -0.035 0.000 2.418 138 E HA 0.083 4.433 4.350 -0.001 0.000 0.197 138 E C 0.342 176.911 176.600 -0.052 0.000 1.026 138 E CA 0.526 56.902 56.400 -0.040 0.000 0.862 138 E CB -0.000 29.680 29.700 -0.033 0.000 0.799 138 E HN 0.555 nan 8.360 nan 0.000 0.518 139 D N 0.258 120.616 120.400 -0.070 0.000 2.894 139 D HA 0.328 4.967 4.640 -0.001 0.000 0.273 139 D C 0.457 176.713 176.300 -0.073 0.000 1.328 139 D CA 0.492 54.445 54.000 -0.077 0.000 0.845 139 D CB 0.187 40.924 40.800 -0.106 0.000 1.072 139 D HN 0.153 nan 8.370 nan 0.000 0.484 140 G N 0.902 109.666 108.800 -0.060 0.000 2.545 140 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 140 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 140 G C -0.406 174.463 174.900 -0.053 0.000 1.314 140 G CA -0.896 44.169 45.100 -0.057 0.000 0.906 140 G HN 0.249 nan 8.290 nan 0.000 0.563 141 N N -0.529 118.137 118.700 -0.057 0.000 2.370 141 N HA 0.604 5.344 4.740 -0.001 0.000 0.303 141 N C -1.263 174.266 175.510 0.032 0.000 1.103 141 N CA -0.335 52.675 53.050 -0.067 0.000 0.848 141 N CB 1.671 40.056 38.487 -0.170 0.000 1.235 141 N HN 0.709 nan 8.380 nan 0.000 0.496 142 W N 2.070 123.277 121.300 -0.155 0.000 2.471 142 W HA 0.403 5.063 4.660 -0.000 0.000 0.318 142 W C -1.401 175.083 176.519 -0.059 0.000 1.034 142 W CA -0.811 56.433 57.345 -0.168 0.000 1.224 142 W CB 0.667 29.938 29.460 -0.316 0.000 1.335 142 W HN 0.318 nan 8.180 nan 0.000 0.452 143 D N 5.878 126.162 120.400 -0.194 0.000 2.349 143 D HA 0.181 4.820 4.640 -0.001 0.000 0.232 143 D C -0.788 175.140 176.300 -0.620 0.000 1.071 143 D CA -0.296 53.508 54.000 -0.326 0.000 0.832 143 D CB 1.692 42.430 40.800 -0.102 0.000 1.086 143 D HN 0.223 nan 8.370 nan 0.000 0.504 144 L N 4.498 125.224 121.223 -0.829 0.000 2.314 144 L HA 0.258 4.597 4.340 -0.001 0.000 0.275 144 L C -0.735 175.755 176.870 -0.633 0.000 1.068 144 L CA -0.547 53.761 54.840 -0.886 0.000 0.894 144 L CB 0.539 41.934 42.059 -1.107 0.000 1.275 144 L HN 0.075 nan 8.230 nan 0.000 0.432 145 V N 5.281 124.910 119.914 -0.475 0.000 2.223 145 V HA 0.409 4.528 4.120 -0.001 0.000 0.249 145 V C 1.125 177.059 176.094 -0.268 0.000 1.233 145 V CA -0.326 61.718 62.300 -0.427 0.000 1.131 145 V CB 0.069 31.651 31.823 -0.400 0.000 1.298 145 V HN 0.768 nan 8.190 nan 0.000 0.498 146 G N 2.762 111.422 108.800 -0.233 0.000 2.552 146 G HA2 0.602 4.561 3.960 -0.001 0.000 0.318 146 G HA3 0.602 4.561 3.960 -0.001 0.000 0.318 146 G C -0.713 174.208 174.900 0.035 0.000 1.240 146 G CA -0.600 44.472 45.100 -0.048 0.000 1.002 146 G HN 0.498 nan 8.290 nan 0.000 0.493 147 N N -0.956 117.808 118.700 0.107 0.000 2.405 147 N HA 0.225 4.965 4.740 -0.001 0.000 0.285 147 N C -0.061 175.603 175.510 0.257 0.000 1.262 147 N CA -0.825 52.343 53.050 0.197 0.000 0.773 147 N CB 1.501 40.110 38.487 0.203 0.000 1.490 147 N HN 0.511 nan 8.380 nan 0.000 0.486 148 N N -0.660 118.216 118.700 0.293 0.000 2.683 148 N HA 0.036 4.776 4.740 -0.001 0.000 0.256 148 N C -0.750 174.961 175.510 0.335 0.000 1.270 148 N CA 0.053 53.320 53.050 0.362 0.000 0.954 148 N CB -0.148 38.510 38.487 0.285 0.000 1.289 148 N HN 0.392 nan 8.380 nan 0.000 0.508 149 T N -0.829 113.841 114.554 0.192 0.000 3.047 149 T HA 0.296 4.646 4.350 -0.001 0.000 0.340 149 T C -2.778 171.537 174.700 -0.642 0.000 1.421 149 T CA -1.089 60.810 62.100 -0.334 0.000 1.090 149 T CB 1.897 70.687 68.868 -0.131 0.000 1.292 149 T HN -0.089 nan 8.240 nan 0.000 0.480 150 P HA 0.258 nan 4.420 nan 0.000 0.245 150 P C 0.329 177.369 177.300 -0.433 0.000 1.203 150 P CA 0.191 62.909 63.100 -0.637 0.000 0.792 150 P CB -0.114 31.239 31.700 -0.578 0.000 0.997 151 I N -5.474 114.811 120.570 -0.476 0.000 3.206 151 I HA 0.706 4.876 4.170 -0.001 0.000 0.313 151 I C -0.786 175.121 176.117 -0.351 0.000 1.103 151 I CA -1.569 59.451 61.300 -0.465 0.000 0.985 151 I CB 1.681 39.236 38.000 -0.741 0.000 1.240 151 I HN -0.318 nan 8.210 nan 0.000 0.464 152 F N -0.083 119.578 119.950 -0.480 0.000 2.650 152 F HA 0.548 5.075 4.527 -0.000 0.000 0.320 152 F C -0.084 175.455 175.800 -0.435 0.000 1.091 152 F CA -0.886 56.857 58.000 -0.429 0.000 0.962 152 F CB 1.759 40.652 39.000 -0.178 0.000 1.363 152 F HN 0.434 nan 8.300 nan 0.000 0.482 153 F N 2.040 121.534 119.950 -0.761 0.000 2.186 153 F HA 0.058 4.585 4.527 -0.001 0.000 0.299 153 F C 0.779 176.488 175.800 -0.151 0.000 1.090 153 F CA 0.885 58.602 58.000 -0.471 0.000 1.307 153 F CB -0.449 38.177 39.000 -0.623 0.000 1.019 153 F HN 0.114 nan 8.300 nan 0.000 0.489 154 I N -1.344 119.397 120.570 0.285 0.000 2.846 154 I HA 0.482 4.651 4.170 -0.001 0.000 0.307 154 I C 0.666 176.924 176.117 0.234 0.000 1.053 154 I CA -1.078 60.373 61.300 0.251 0.000 1.050 154 I CB 2.266 40.446 38.000 0.299 0.000 1.239 154 I HN -0.026 nan 8.210 nan 0.000 0.439 155 R N 0.649 121.237 120.500 0.148 0.000 2.472 155 R HA 0.368 4.708 4.340 -0.001 0.000 0.279 155 R C -0.646 175.714 176.300 0.101 0.000 0.953 155 R CA -0.287 55.879 56.100 0.111 0.000 1.088 155 R CB 0.281 30.630 30.300 0.081 0.000 1.197 155 R HN 0.717 nan 8.270 nan 0.000 0.536 156 D N 0.171 120.644 120.400 0.121 0.000 2.757 156 D HA 0.292 4.932 4.640 -0.001 0.000 0.249 156 D C 0.409 176.784 176.300 0.126 0.000 1.168 156 D CA -0.365 53.696 54.000 0.101 0.000 0.870 156 D CB 2.295 43.153 40.800 0.097 0.000 1.411 156 D HN 0.031 nan 8.370 nan 0.000 0.525 157 A N 4.220 127.090 122.820 0.084 0.000 1.940 157 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 157 A C 2.238 179.910 177.584 0.147 0.000 1.176 157 A CA 0.900 52.994 52.037 0.096 0.000 0.631 157 A CB -0.557 18.456 19.000 0.022 0.000 0.814 157 A HN 0.738 nan 8.150 nan 0.000 0.446 158 L N -1.380 119.906 121.223 0.104 0.000 2.456 158 L HA -0.193 4.147 4.340 -0.001 0.000 0.225 158 L C 1.410 178.361 176.870 0.134 0.000 1.142 158 L CA 0.832 55.728 54.840 0.094 0.000 0.796 158 L CB -0.183 41.913 42.059 0.062 0.000 0.920 158 L HN 0.371 nan 8.230 nan 0.000 0.446 159 L N -3.062 118.284 121.223 0.205 0.000 2.766 159 L HA 0.020 4.360 4.340 -0.001 0.000 0.242 159 L C 1.576 178.630 176.870 0.306 0.000 1.136 159 L CA 0.280 55.278 54.840 0.263 0.000 0.933 159 L CB -0.233 42.038 42.059 0.353 0.000 1.241 159 L HN 0.004 nan 8.230 nan 0.000 0.522 160 F N 2.918 122.969 119.950 0.169 0.000 2.095 160 F HA -0.112 4.414 4.527 -0.000 0.000 0.298 160 F C -0.495 175.376 175.800 0.118 0.000 1.104 160 F CA 1.675 59.806 58.000 0.219 0.000 1.232 160 F CB -1.115 37.967 39.000 0.137 0.000 0.987 160 F HN 0.096 nan 8.300 nan 0.000 0.475 161 P HA -0.173 nan 4.420 nan 0.000 0.214 161 P C 1.972 178.946 177.300 -0.543 0.000 1.163 161 P CA 2.116 65.049 63.100 -0.278 0.000 0.883 161 P CB -0.215 31.370 31.700 -0.192 0.000 0.788 162 S N -0.816 114.654 115.700 -0.384 0.000 2.365 162 S HA -0.196 4.274 4.470 -0.001 0.000 0.225 162 S C 1.694 175.908 174.600 -0.643 0.000 1.039 162 S CA 1.424 59.378 58.200 -0.410 0.000 1.033 162 S CB -1.212 61.898 63.200 -0.151 0.000 0.887 162 S HN 0.128 nan 8.310 nan 0.000 0.447 163 F N 2.790 122.273 119.950 -0.778 0.000 2.046 163 F HA -0.155 4.372 4.527 -0.001 0.000 0.297 163 F C 1.866 177.214 175.800 -0.752 0.000 1.123 163 F CA 1.465 58.859 58.000 -1.011 0.000 1.199 163 F CB -0.553 38.233 39.000 -0.356 0.000 0.972 163 F HN 0.131 nan 8.300 nan 0.000 0.474 164 I N 0.265 120.255 120.570 -0.966 0.000 2.335 164 I HA -0.318 3.852 4.170 -0.001 0.000 0.251 164 I C 2.501 178.270 176.117 -0.579 0.000 1.129 164 I CA 1.701 62.460 61.300 -0.902 0.000 1.402 164 I CB -1.870 35.724 38.000 -0.677 0.000 1.069 164 I HN 0.395 nan 8.210 nan 0.000 0.424 165 H N 0.854 119.571 119.070 -0.587 0.000 2.293 165 H HA -0.154 4.402 4.556 -0.001 0.000 0.300 165 H C 2.532 177.553 175.328 -0.511 0.000 1.082 165 H CA 1.776 57.560 56.048 -0.440 0.000 1.308 165 H CB 0.188 29.746 29.762 -0.339 0.000 1.375 165 H HN 0.369 nan 8.280 nan 0.000 0.495 166 S N 0.555 115.940 115.700 -0.526 0.000 2.440 166 S HA -0.144 4.326 4.470 -0.001 0.000 0.238 166 S C 1.666 175.872 174.600 -0.658 0.000 1.010 166 S CA 0.956 58.807 58.200 -0.581 0.000 0.972 166 S CB 0.003 62.764 63.200 -0.732 0.000 0.774 166 S HN 0.366 nan 8.310 nan 0.000 0.501 167 Q N 0.699 120.020 119.800 -0.798 0.000 2.320 167 Q HA 0.340 4.680 4.340 -0.001 0.000 0.201 167 Q C 0.253 175.970 176.000 -0.471 0.000 0.910 167 Q CA 0.392 55.752 55.803 -0.738 0.000 0.946 167 Q CB 0.323 28.479 28.738 -0.971 0.000 1.062 167 Q HN 0.688 nan 8.270 nan 0.000 0.503 168 K N -0.024 120.139 120.400 -0.395 0.000 2.149 168 K HA 0.491 4.811 4.320 -0.001 0.000 0.241 168 K C -0.179 176.258 176.600 -0.271 0.000 1.083 168 K CA -1.070 55.039 56.287 -0.297 0.000 0.885 168 K CB 1.047 33.389 32.500 -0.263 0.000 1.374 168 K HN -0.143 nan 8.250 nan 0.000 0.511 169 R N 1.503 121.842 120.500 -0.269 0.000 2.784 169 R HA 0.014 4.354 4.340 -0.001 0.000 0.266 169 R C 0.468 176.646 176.300 -0.203 0.000 1.044 169 R CA -0.099 55.841 56.100 -0.268 0.000 1.151 169 R CB 0.060 30.101 30.300 -0.432 0.000 1.037 169 R HN 0.456 nan 8.270 nan 0.000 0.478 170 N N 2.139 120.750 118.700 -0.148 0.000 2.520 170 N HA 0.016 4.756 4.740 -0.001 0.000 0.273 170 N C -1.651 173.818 175.510 -0.069 0.000 1.155 170 N CA -1.438 51.550 53.050 -0.102 0.000 0.967 170 N CB 1.021 39.469 38.487 -0.065 0.000 1.092 170 N HN 0.289 nan 8.380 nan 0.000 0.457 171 P HA -0.210 nan 4.420 nan 0.000 0.215 171 P C 1.003 178.289 177.300 -0.023 0.000 1.157 171 P CA 1.622 64.682 63.100 -0.066 0.000 0.874 171 P CB 0.330 31.982 31.700 -0.081 0.000 0.790 172 Q N -0.342 119.446 119.800 -0.019 0.000 2.107 172 Q HA -0.067 4.273 4.340 -0.001 0.000 0.195 172 Q C 2.274 178.281 176.000 0.011 0.000 0.964 172 Q CA 2.011 57.808 55.803 -0.009 0.000 0.833 172 Q CB -0.562 28.168 28.738 -0.012 0.000 0.910 172 Q HN 0.228 nan 8.270 nan 0.000 0.465 173 T N -2.777 111.785 114.554 0.014 0.000 2.942 173 T HA -0.153 4.197 4.350 -0.001 0.000 0.265 173 T C 0.420 175.179 174.700 0.098 0.000 1.062 173 T CA 1.250 63.369 62.100 0.032 0.000 1.139 173 T CB -0.292 68.581 68.868 0.008 0.000 0.883 173 T HN 0.683 nan 8.240 nan 0.000 0.468 174 H N -0.165 118.872 119.070 -0.056 0.000 2.903 174 H HA -0.089 4.467 4.556 -0.001 0.000 0.285 174 H C -0.981 174.315 175.328 -0.052 0.000 1.231 174 H CA 0.584 56.596 56.048 -0.059 0.000 1.135 174 H CB -2.247 27.486 29.762 -0.048 0.000 1.328 174 H HN 0.591 nan 8.280 nan 0.000 0.388 175 L N 0.246 121.410 121.223 -0.098 0.000 2.354 175 L HA 0.461 4.800 4.340 -0.001 0.000 0.264 175 L C 0.463 177.258 176.870 -0.125 0.000 1.008 175 L CA -1.362 53.415 54.840 -0.106 0.000 0.819 175 L CB 1.528 43.562 42.059 -0.041 0.000 1.339 175 L HN -0.076 nan 8.230 nan 0.000 0.420 176 K N 1.186 121.517 120.400 -0.115 0.000 2.397 176 K HA 0.102 4.422 4.320 -0.001 0.000 0.265 176 K C -0.832 175.720 176.600 -0.079 0.000 0.982 176 K CA 0.047 56.269 56.287 -0.109 0.000 0.931 176 K CB 0.495 32.954 32.500 -0.069 0.000 0.943 176 K HN 0.525 nan 8.250 nan 0.000 0.501 177 D N 1.644 121.988 120.400 -0.094 0.000 2.763 177 D HA 0.166 4.806 4.640 -0.001 0.000 0.235 177 D C -1.946 174.310 176.300 -0.075 0.000 1.334 177 D CA -1.943 52.014 54.000 -0.072 0.000 0.950 177 D CB 1.714 42.467 40.800 -0.078 0.000 1.433 177 D HN 0.074 nan 8.370 nan 0.000 0.580 178 P HA -0.106 nan 4.420 nan 0.000 0.215 178 P C 0.785 178.120 177.300 0.060 0.000 1.157 178 P CA 0.851 63.955 63.100 0.007 0.000 0.863 178 P CB 0.690 32.386 31.700 -0.007 0.000 0.787 179 D N -0.714 119.703 120.400 0.028 0.000 2.149 179 D HA -0.168 4.472 4.640 -0.001 0.000 0.194 179 D C 2.161 178.475 176.300 0.024 0.000 1.001 179 D CA 1.340 55.361 54.000 0.036 0.000 0.849 179 D CB -0.657 40.167 40.800 0.040 0.000 0.939 179 D HN 0.175 nan 8.370 nan 0.000 0.449 180 M N -0.553 119.023 119.600 -0.040 0.000 2.064 180 M HA -0.138 4.342 4.480 -0.001 0.000 0.260 180 M C 2.262 178.457 176.300 -0.176 0.000 1.073 180 M CA 0.799 56.042 55.300 -0.095 0.000 1.124 180 M CB -0.196 32.311 32.600 -0.156 0.000 1.326 180 M HN -0.083 nan 8.290 nan 0.000 0.410 181 V N -0.426 119.305 119.914 -0.305 0.000 2.220 181 V HA -0.319 3.801 4.120 -0.001 0.000 0.250 181 V C 1.830 177.592 176.094 -0.554 0.000 1.056 181 V CA 2.392 64.314 62.300 -0.630 0.000 1.016 181 V CB -0.902 30.497 31.823 -0.706 0.000 0.639 181 V HN 0.599 nan 8.190 nan 0.000 0.446 182 W N -0.209 121.067 121.300 -0.039 0.000 2.467 182 W HA -0.067 4.593 4.660 -0.000 0.000 0.275 182 W C 2.290 178.847 176.519 0.062 0.000 1.239 182 W CA 0.912 58.318 57.345 0.101 0.000 1.266 182 W CB -0.379 29.114 29.460 0.056 0.000 1.112 182 W HN 0.310 nan 8.180 nan 0.000 0.576 183 D N -0.250 120.266 120.400 0.193 0.000 2.144 183 D HA -0.225 4.414 4.640 -0.001 0.000 0.200 183 D C 1.799 178.213 176.300 0.191 0.000 0.978 183 D CA 1.137 55.234 54.000 0.162 0.000 0.833 183 D CB -0.316 40.577 40.800 0.156 0.000 0.961 183 D HN 0.046 nan 8.370 nan 0.000 0.470 184 F N -0.131 119.818 119.950 -0.002 0.000 2.039 184 F HA -0.078 4.449 4.527 -0.001 0.000 0.294 184 F C 1.923 177.799 175.800 0.127 0.000 1.130 184 F CA 1.282 59.279 58.000 -0.004 0.000 1.189 184 F CB -0.655 38.252 39.000 -0.154 0.000 0.983 184 F HN 0.015 nan 8.300 nan 0.000 0.471 185 W N 0.774 122.118 121.300 0.073 0.000 2.304 185 W HA -0.273 4.387 4.660 -0.001 0.000 0.315 185 W C 3.135 179.620 176.519 -0.057 0.000 1.233 185 W CA 2.126 59.457 57.345 -0.023 0.000 1.261 185 W CB -1.778 27.700 29.460 0.030 0.000 1.150 185 W HN 0.275 nan 8.180 nan 0.000 0.494 186 S N 0.004 115.877 115.700 0.288 0.000 2.383 186 S HA -0.175 4.295 4.470 -0.001 0.000 0.229 186 S C 1.923 176.538 174.600 0.025 0.000 1.030 186 S CA 1.487 59.764 58.200 0.129 0.000 1.002 186 S CB -0.494 62.791 63.200 0.142 0.000 0.829 186 S HN 0.250 nan 8.310 nan 0.000 0.467 187 L N 0.466 121.686 121.223 -0.004 0.000 2.478 187 L HA 0.197 4.537 4.340 -0.001 0.000 0.223 187 L C 0.523 177.320 176.870 -0.122 0.000 1.140 187 L CA 0.318 55.128 54.840 -0.050 0.000 0.842 187 L CB -0.039 41.997 42.059 -0.038 0.000 0.953 187 L HN 0.175 nan 8.230 nan 0.000 0.452 188 R N -0.046 120.348 120.500 -0.177 0.000 2.513 188 R HA 0.239 4.579 4.340 -0.001 0.000 0.283 188 R C -2.122 174.119 176.300 -0.099 0.000 1.535 188 R CA -1.676 54.317 56.100 -0.178 0.000 1.315 188 R CB 0.465 30.554 30.300 -0.352 0.000 1.163 188 R HN -0.137 nan 8.270 nan 0.000 0.573 189 P HA -0.215 nan 4.420 nan 0.000 0.219 189 P C 1.004 178.253 177.300 -0.085 0.000 1.146 189 P CA 1.146 64.187 63.100 -0.099 0.000 0.808 189 P CB 0.334 31.980 31.700 -0.089 0.000 0.779 190 E N 1.136 121.303 120.200 -0.054 0.000 2.333 190 E HA -0.175 4.174 4.350 -0.001 0.000 0.200 190 E C 1.510 178.078 176.600 -0.053 0.000 1.010 190 E CA 1.786 58.163 56.400 -0.038 0.000 0.841 190 E CB -1.111 28.587 29.700 -0.005 0.000 0.757 190 E HN 0.390 nan 8.360 nan 0.000 0.508 191 S N 0.668 116.340 115.700 -0.047 0.000 2.489 191 S HA 0.017 4.487 4.470 -0.001 0.000 0.228 191 S C 2.128 176.621 174.600 -0.178 0.000 0.995 191 S CA 0.168 58.341 58.200 -0.045 0.000 0.934 191 S CB -0.545 62.700 63.200 0.074 0.000 0.771 191 S HN 0.185 nan 8.310 nan 0.000 0.522 192 L N 1.282 122.403 121.223 -0.171 0.000 1.976 192 L HA -0.270 4.070 4.340 -0.001 0.000 0.223 192 L C 2.972 179.771 176.870 -0.117 0.000 1.081 192 L CA 2.233 56.975 54.840 -0.163 0.000 0.784 192 L CB -0.972 41.006 42.059 -0.136 0.000 0.896 192 L HN 0.377 nan 8.230 nan 0.000 0.438 193 H N -0.437 118.466 119.070 -0.278 0.000 2.362 193 H HA -0.261 4.294 4.556 -0.001 0.000 0.294 193 H C 2.205 177.069 175.328 -0.774 0.000 1.113 193 H CA 2.356 58.129 56.048 -0.459 0.000 1.253 193 H CB -0.039 29.437 29.762 -0.477 0.000 1.363 193 H HN 0.298 nan 8.280 nan 0.000 0.494 194 Q N 0.048 119.472 119.800 -0.625 0.000 2.163 194 Q HA 0.002 4.342 4.340 -0.001 0.000 0.198 194 Q C 2.500 178.198 176.000 -0.502 0.000 0.954 194 Q CA 1.272 56.538 55.803 -0.896 0.000 0.851 194 Q CB -0.344 27.584 28.738 -1.349 0.000 0.928 194 Q HN 0.312 nan 8.270 nan 0.000 0.459 195 V N 0.333 120.075 119.914 -0.286 0.000 2.568 195 V HA -0.216 3.903 4.120 -0.001 0.000 0.253 195 V C 2.213 178.438 176.094 0.218 0.000 1.072 195 V CA 1.808 64.056 62.300 -0.087 0.000 1.084 195 V CB -0.824 30.768 31.823 -0.385 0.000 0.676 195 V HN 0.265 nan 8.190 nan 0.000 0.469 196 S N -0.413 115.382 115.700 0.158 0.000 2.402 196 S HA -0.072 4.398 4.470 -0.001 0.000 0.229 196 S C 1.724 176.604 174.600 0.466 0.000 1.021 196 S CA 1.370 59.795 58.200 0.376 0.000 0.974 196 S CB -0.286 63.102 63.200 0.313 0.000 0.800 196 S HN 0.550 nan 8.310 nan 0.000 0.484 197 F N 0.802 120.677 119.950 -0.125 0.000 2.219 197 F HA 0.203 4.730 4.527 -0.001 0.000 0.294 197 F C 1.920 177.728 175.800 0.013 0.000 1.086 197 F CA -0.281 57.649 58.000 -0.117 0.000 1.330 197 F CB -1.227 37.598 39.000 -0.291 0.000 1.047 197 F HN 0.160 nan 8.300 nan 0.000 0.495 198 L N -0.783 120.568 121.223 0.212 0.000 2.046 198 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 198 L C 1.646 178.530 176.870 0.024 0.000 1.077 198 L CA 1.930 56.831 54.840 0.102 0.000 0.747 198 L CB -0.932 41.202 42.059 0.125 0.000 0.896 198 L HN -0.001 nan 8.230 nan 0.000 0.432 199 F N -0.506 119.563 119.950 0.198 0.000 2.773 199 F HA 0.184 4.711 4.527 -0.001 0.000 0.304 199 F C 1.610 177.543 175.800 0.221 0.000 1.129 199 F CA 0.270 58.399 58.000 0.214 0.000 1.378 199 F CB -0.426 38.726 39.000 0.253 0.000 1.095 199 F HN 0.187 nan 8.300 nan 0.000 0.565 200 S N -1.031 114.874 115.700 0.342 0.000 2.686 200 S HA 0.106 4.575 4.470 -0.001 0.000 0.270 200 S C 1.028 175.735 174.600 0.179 0.000 1.194 200 S CA -0.494 57.879 58.200 0.289 0.000 0.990 200 S CB 0.881 64.277 63.200 0.326 0.000 1.029 200 S HN 0.133 nan 8.310 nan 0.000 0.560 201 D N 0.119 120.600 120.400 0.134 0.000 2.265 201 D HA -0.012 4.628 4.640 -0.001 0.000 0.208 201 D C 1.979 178.327 176.300 0.080 0.000 0.977 201 D CA 0.987 55.042 54.000 0.091 0.000 0.871 201 D CB -0.072 40.765 40.800 0.062 0.000 0.925 201 D HN 0.430 nan 8.370 nan 0.000 0.485 202 R N -0.214 120.337 120.500 0.085 0.000 2.189 202 R HA 0.062 4.402 4.340 -0.001 0.000 0.218 202 R C 2.239 178.588 176.300 0.082 0.000 1.074 202 R CA 0.857 57.005 56.100 0.079 0.000 0.991 202 R CB -0.571 29.767 30.300 0.064 0.000 0.883 202 R HN 0.175 nan 8.270 nan 0.000 0.457 203 G N 0.403 109.248 108.800 0.074 0.000 2.562 203 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.223 203 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.223 203 G C 0.487 175.405 174.900 0.031 0.000 1.102 203 G CA 0.985 46.104 45.100 0.032 0.000 0.742 203 G HN 0.305 nan 8.290 nan 0.000 0.587 204 I N 1.682 122.281 120.570 0.048 0.000 2.595 204 I HA 0.241 4.411 4.170 -0.001 0.000 0.276 204 I C -2.366 173.792 176.117 0.069 0.000 1.109 204 I CA -2.050 59.283 61.300 0.054 0.000 1.084 204 I CB 2.612 40.638 38.000 0.044 0.000 1.206 204 I HN -0.107 nan 8.210 nan 0.000 0.486 205 P HA 0.061 nan 4.420 nan 0.000 0.286 205 P C -0.869 176.475 177.300 0.073 0.000 1.293 205 P CA -0.076 63.073 63.100 0.081 0.000 0.770 205 P CB 1.055 32.814 31.700 0.098 0.000 1.206 206 D N -0.814 119.628 120.400 0.071 0.000 2.454 206 D HA 0.407 5.047 4.640 -0.001 0.000 0.247 206 D C 0.232 176.524 176.300 -0.013 0.000 1.129 206 D CA 0.095 54.144 54.000 0.082 0.000 0.877 206 D CB 0.061 40.915 40.800 0.089 0.000 1.082 206 D HN 0.682 nan 8.370 nan 0.000 0.537 207 G N 3.688 112.341 108.800 -0.245 0.000 2.829 207 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.628 207 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.628 207 G C 0.642 175.308 174.900 -0.390 0.000 1.412 207 G CA -0.466 44.340 45.100 -0.491 0.000 0.864 207 G HN 0.645 nan 8.290 nan 0.000 0.544 208 H N 0.575 119.425 119.070 -0.366 0.000 2.482 208 H HA 0.061 4.617 4.556 -0.000 0.000 0.286 208 H C 2.758 177.818 175.328 -0.447 0.000 1.017 208 H CA 1.299 57.002 56.048 -0.575 0.000 1.322 208 H CB 0.123 29.118 29.762 -1.279 0.000 1.426 208 H HN 0.556 nan 8.280 nan 0.000 0.546 209 R N 0.399 120.727 120.500 -0.286 0.000 2.241 209 R HA -0.058 4.282 4.340 -0.001 0.000 0.224 209 R C 0.336 176.351 176.300 -0.475 0.000 1.101 209 R CA 0.702 56.595 56.100 -0.345 0.000 0.995 209 R CB 0.054 30.056 30.300 -0.496 0.000 0.870 209 R HN 0.384 nan 8.270 nan 0.000 0.463 210 H N 0.195 119.215 119.070 -0.082 0.000 2.507 210 H HA 0.224 4.780 4.556 -0.000 0.000 0.281 210 H C -0.012 175.341 175.328 0.041 0.000 1.160 210 H CA 0.004 56.023 56.048 -0.049 0.000 0.981 210 H CB -0.056 29.675 29.762 -0.052 0.000 1.665 210 H HN 0.198 nan 8.280 nan 0.000 0.554 211 M N -1.431 118.294 119.600 0.207 0.000 2.575 211 M HA 0.524 5.004 4.480 -0.001 0.000 0.284 211 M C -1.570 174.984 176.300 0.423 0.000 1.253 211 M CA -1.016 54.442 55.300 0.263 0.000 0.861 211 M CB 2.762 35.489 32.600 0.212 0.000 1.733 211 M HN -0.303 nan 8.290 nan 0.000 0.462 212 D N 0.830 121.430 120.400 0.333 0.000 2.387 212 D HA 0.753 5.392 4.640 -0.001 0.000 0.255 212 D C -0.357 175.982 176.300 0.065 0.000 1.081 212 D CA 0.093 54.245 54.000 0.253 0.000 0.994 212 D CB 1.914 42.766 40.800 0.087 0.000 1.127 212 D HN 0.867 nan 8.370 nan 0.000 0.513 213 G N -0.511 107.991 108.800 -0.497 0.000 2.454 213 G HA2 0.609 4.569 3.960 -0.001 0.000 0.329 213 G HA3 0.609 4.569 3.960 -0.001 0.000 0.329 213 G C -1.653 172.390 174.900 -1.428 0.000 1.177 213 G CA -0.428 43.947 45.100 -1.208 0.000 0.951 213 G HN 0.351 nan 8.290 nan 0.000 0.485 214 Y N -0.779 119.138 120.300 -0.638 0.000 2.358 214 Y HA 0.373 4.923 4.550 -0.001 0.000 0.324 214 Y C 1.070 176.930 175.900 -0.067 0.000 1.123 214 Y CA -0.381 57.560 58.100 -0.264 0.000 1.067 214 Y CB 2.310 40.658 38.460 -0.186 0.000 1.230 214 Y HN 0.700 nan 8.280 nan 0.000 0.429 215 G N 0.623 109.557 108.800 0.222 0.000 2.498 215 G HA2 0.004 3.964 3.960 -0.001 0.000 0.219 215 G HA3 0.004 3.964 3.960 -0.001 0.000 0.219 215 G C 1.043 176.058 174.900 0.191 0.000 1.119 215 G CA 1.131 46.358 45.100 0.211 0.000 0.766 215 G HN 0.746 nan 8.290 nan 0.000 0.552 216 S N -0.966 114.762 115.700 0.047 0.000 3.844 216 S HA -0.250 4.220 4.470 -0.001 0.000 0.256 216 S C 0.988 175.435 174.600 -0.255 0.000 1.740 216 S CA 1.336 59.425 58.200 -0.185 0.000 3.913 216 S CB -1.296 61.691 63.200 -0.356 0.000 0.658 216 S HN 0.710 nan 8.310 nan 0.000 0.463 217 H N 1.682 120.665 119.070 -0.144 0.000 2.801 217 H HA 0.227 4.782 4.556 -0.000 0.000 0.377 217 H C 0.467 175.502 175.328 -0.488 0.000 1.304 217 H CA 1.042 56.849 56.048 -0.402 0.000 1.451 217 H CB -0.075 29.278 29.762 -0.682 0.000 1.474 217 H HN 0.377 nan 8.280 nan 0.000 0.620 218 T N 2.904 117.240 114.554 -0.363 0.000 2.728 218 T HA 0.265 4.614 4.350 -0.001 0.000 0.296 218 T C 0.131 174.651 174.700 -0.299 0.000 0.940 218 T CA -0.201 61.729 62.100 -0.283 0.000 1.013 218 T CB -0.225 68.550 68.868 -0.155 0.000 0.912 218 T HN 0.205 nan 8.240 nan 0.000 0.484 219 F N 1.641 121.713 119.950 0.204 0.000 2.456 219 F HA 0.614 5.140 4.527 -0.001 0.000 0.364 219 F C 0.916 176.934 175.800 0.362 0.000 1.092 219 F CA -1.022 57.145 58.000 0.277 0.000 1.125 219 F CB 0.858 40.109 39.000 0.419 0.000 1.543 219 F HN 0.062 nan 8.300 nan 0.000 0.504 220 K N 1.518 122.247 120.400 0.549 0.000 2.443 220 K HA 0.498 4.817 4.320 -0.001 0.000 0.252 220 K C -1.740 175.019 176.600 0.265 0.000 0.933 220 K CA -0.393 56.134 56.287 0.400 0.000 0.792 220 K CB 1.721 34.426 32.500 0.343 0.000 1.185 220 K HN 0.448 nan 8.250 nan 0.000 0.425 221 L N 3.534 124.870 121.223 0.188 0.000 2.329 221 L HA 0.580 4.920 4.340 -0.001 0.000 0.279 221 L C -0.494 176.404 176.870 0.047 0.000 1.014 221 L CA -1.277 53.635 54.840 0.119 0.000 0.814 221 L CB 1.926 44.060 42.059 0.126 0.000 1.257 221 L HN 0.222 nan 8.230 nan 0.000 0.424 222 V N 2.236 122.162 119.914 0.020 0.000 2.443 222 V HA 0.239 4.359 4.120 -0.001 0.000 0.293 222 V C -0.178 175.919 176.094 0.005 0.000 1.021 222 V CA -1.003 61.279 62.300 -0.031 0.000 0.848 222 V CB 1.726 33.532 31.823 -0.028 0.000 0.998 222 V HN 0.892 nan 8.190 nan 0.000 0.424 223 N N 3.845 122.547 118.700 0.004 0.000 2.354 223 N HA 0.301 5.041 4.740 -0.001 0.000 0.246 223 N C 0.851 176.362 175.510 0.002 0.000 1.285 223 N CA -0.056 53.002 53.050 0.012 0.000 0.925 223 N CB 0.831 39.316 38.487 -0.004 0.000 1.174 223 N HN 0.673 nan 8.380 nan 0.000 0.478 224 A N -0.994 121.828 122.820 0.002 0.000 2.215 224 A HA -0.044 4.276 4.320 -0.001 0.000 0.208 224 A C 0.574 178.157 177.584 -0.002 0.000 1.296 224 A CA 0.379 52.416 52.037 0.000 0.000 0.918 224 A CB -0.845 18.155 19.000 0.001 0.000 0.806 224 A HN 0.732 nan 8.150 nan 0.000 0.490 225 D N -2.150 118.247 120.400 -0.004 0.000 2.525 225 D HA 0.227 4.867 4.640 -0.001 0.000 0.231 225 D C 1.260 177.561 176.300 0.001 0.000 1.216 225 D CA 0.887 54.883 54.000 -0.006 0.000 0.813 225 D CB 0.702 41.492 40.800 -0.017 0.000 1.108 225 D HN 0.515 nan 8.370 nan 0.000 0.524 226 G N 1.878 110.687 108.800 0.014 0.000 2.199 226 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.254 226 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.254 226 G C 0.194 175.112 174.900 0.031 0.000 0.982 226 G CA 0.139 45.273 45.100 0.056 0.000 0.632 226 G HN 0.346 nan 8.290 nan 0.000 0.529 227 E N 0.773 120.945 120.200 -0.047 0.000 2.338 227 E HA 0.603 4.952 4.350 -0.001 0.000 0.272 227 E C 0.495 176.956 176.600 -0.232 0.000 1.029 227 E CA 0.456 56.777 56.400 -0.131 0.000 0.872 227 E CB 1.243 30.883 29.700 -0.100 0.000 1.015 227 E HN 0.767 nan 8.360 nan 0.000 0.417 228 A N 2.603 125.141 122.820 -0.471 0.000 2.380 228 A HA 0.771 5.091 4.320 -0.001 0.000 0.315 228 A C -1.109 176.326 177.584 -0.247 0.000 1.101 228 A CA -0.651 51.099 52.037 -0.478 0.000 0.771 228 A CB 1.770 20.194 19.000 -0.960 0.000 1.287 228 A HN 0.416 nan 8.150 nan 0.000 0.436 229 V N 0.749 120.712 119.914 0.081 0.000 3.120 229 V HA 0.540 4.660 4.120 -0.001 0.000 0.303 229 V C -1.881 174.297 176.094 0.139 0.000 1.238 229 V CA -0.616 61.801 62.300 0.196 0.000 1.008 229 V CB 2.162 34.077 31.823 0.153 0.000 1.064 229 V HN 0.832 nan 8.190 nan 0.000 0.434 230 Y N 3.312 123.777 120.300 0.274 0.000 2.335 230 Y HA 0.732 5.282 4.550 -0.000 0.000 0.323 230 Y C 0.645 176.727 175.900 0.304 0.000 1.224 230 Y CA -0.305 57.946 58.100 0.251 0.000 1.241 230 Y CB 1.349 39.941 38.460 0.219 0.000 1.235 230 Y HN 0.981 nan 8.280 nan 0.000 0.492 231 C N 0.481 120.082 119.300 0.502 0.000 3.335 231 C HA 0.926 5.386 4.460 -0.001 0.000 0.356 231 C C -1.253 173.810 174.990 0.122 0.000 1.570 231 C CA -1.243 57.970 59.018 0.325 0.000 1.271 231 C CB 1.736 29.511 27.740 0.059 0.000 1.873 231 C HN 0.871 nan 8.230 nan 0.000 0.439 232 K N -0.130 120.286 120.400 0.027 0.000 2.525 232 K HA 0.718 5.038 4.320 -0.001 0.000 0.254 232 K C -1.916 174.753 176.600 0.116 0.000 0.934 232 K CA -0.136 56.163 56.287 0.021 0.000 0.802 232 K CB 1.370 33.696 32.500 -0.289 0.000 1.295 232 K HN 0.575 nan 8.250 nan 0.000 0.433 233 F N 2.975 122.976 119.950 0.086 0.000 2.421 233 F HA 0.440 4.967 4.527 -0.001 0.000 0.337 233 F C 0.306 176.125 175.800 0.030 0.000 1.105 233 F CA -0.262 57.824 58.000 0.143 0.000 1.049 233 F CB 1.221 40.282 39.000 0.101 0.000 1.139 233 F HN 0.308 nan 8.300 nan 0.000 0.479 234 H N 3.121 122.433 119.070 0.403 0.000 2.759 234 H HA 0.302 4.858 4.556 -0.001 0.000 0.354 234 H C -1.556 174.011 175.328 0.398 0.000 1.074 234 H CA -0.790 55.392 56.048 0.223 0.000 1.226 234 H CB 2.127 32.002 29.762 0.188 0.000 1.648 234 H HN 0.562 nan 8.280 nan 0.000 0.529 235 Y N 0.579 120.944 120.300 0.108 0.000 2.705 235 Y HA 0.264 4.814 4.550 -0.000 0.000 0.355 235 Y C -0.136 175.985 175.900 0.368 0.000 1.039 235 Y CA -1.559 56.666 58.100 0.208 0.000 1.233 235 Y CB 0.133 38.620 38.460 0.044 0.000 1.103 235 Y HN 0.240 nan 8.280 nan 0.000 0.624 236 K N 0.343 120.990 120.400 0.412 0.000 2.326 236 K HA 0.191 4.511 4.320 -0.001 0.000 0.275 236 K C 0.316 177.136 176.600 0.365 0.000 1.018 236 K CA -0.288 56.202 56.287 0.338 0.000 0.962 236 K CB 1.296 33.935 32.500 0.231 0.000 0.953 236 K HN 0.606 nan 8.250 nan 0.000 0.475 237 T N 1.200 115.884 114.554 0.216 0.000 2.930 237 T HA 0.001 4.350 4.350 -0.001 0.000 0.306 237 T C 0.376 174.963 174.700 -0.189 0.000 1.045 237 T CA -0.276 61.646 62.100 -0.296 0.000 1.134 237 T CB 0.324 69.033 68.868 -0.266 0.000 0.961 237 T HN 0.451 nan 8.240 nan 0.000 0.545 238 D N 2.827 123.032 120.400 -0.325 0.000 2.355 238 D HA 0.048 4.688 4.640 -0.001 0.000 0.206 238 D C 1.832 178.041 176.300 -0.152 0.000 1.010 238 D CA 0.551 54.458 54.000 -0.155 0.000 0.875 238 D CB 0.157 40.883 40.800 -0.122 0.000 0.966 238 D HN 0.561 nan 8.370 nan 0.000 0.512 239 Q N 0.541 120.182 119.800 -0.265 0.000 2.515 239 Q HA 0.298 4.638 4.340 -0.001 0.000 0.212 239 Q C 0.834 176.885 176.000 0.084 0.000 0.970 239 Q CA 0.434 56.142 55.803 -0.158 0.000 0.941 239 Q CB 0.017 28.480 28.738 -0.459 0.000 0.998 239 Q HN 0.204 nan 8.270 nan 0.000 0.518 240 G N 0.271 109.092 108.800 0.035 0.000 2.728 240 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.686 240 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.686 240 G C -0.108 174.899 174.900 0.178 0.000 1.337 240 G CA -0.520 44.633 45.100 0.089 0.000 0.861 240 G HN 0.168 nan 8.290 nan 0.000 0.597 241 I N 0.656 121.286 120.570 0.100 0.000 3.624 241 I HA 0.294 4.464 4.170 -0.001 0.000 0.226 241 I C 0.998 177.127 176.117 0.019 0.000 1.359 241 I CA 0.722 62.082 61.300 0.100 0.000 1.076 241 I CB 0.383 38.426 38.000 0.072 0.000 1.508 241 I HN 0.774 nan 8.210 nan 0.000 0.814 242 K N 1.998 122.402 120.400 0.007 0.000 2.362 242 K HA 0.093 4.413 4.320 -0.001 0.000 0.355 242 K C -1.668 174.928 176.600 -0.007 0.000 1.434 242 K CA -0.364 55.869 56.287 -0.090 0.000 1.207 242 K CB 0.322 32.584 32.500 -0.396 0.000 1.428 242 K HN 0.632 nan 8.250 nan 0.000 0.457 243 N N 2.397 121.102 118.700 0.007 0.000 2.531 243 N HA 0.619 5.359 4.740 -0.001 0.000 0.301 243 N C -0.346 175.186 175.510 0.036 0.000 1.310 243 N CA -0.329 52.743 53.050 0.037 0.000 0.949 243 N CB 0.425 38.938 38.487 0.042 0.000 1.111 243 N HN 0.430 nan 8.380 nan 0.000 0.565 244 L N 0.054 121.305 121.223 0.047 0.000 2.464 244 L HA 0.301 4.641 4.340 -0.001 0.000 0.266 244 L C -0.573 176.319 176.870 0.037 0.000 0.965 244 L CA -0.847 54.020 54.840 0.044 0.000 0.833 244 L CB 2.052 44.152 42.059 0.068 0.000 1.296 244 L HN 0.438 nan 8.230 nan 0.000 0.405 245 S N 1.065 116.780 115.700 0.026 0.000 2.544 245 S HA 0.042 4.512 4.470 -0.001 0.000 0.290 245 S C 1.468 176.090 174.600 0.036 0.000 1.276 245 S CA -0.802 57.415 58.200 0.029 0.000 1.075 245 S CB 1.141 64.352 63.200 0.019 0.000 0.849 245 S HN 0.403 nan 8.310 nan 0.000 0.494 246 V N 2.763 122.706 119.914 0.049 0.000 2.277 246 V HA -0.294 3.825 4.120 -0.001 0.000 0.255 246 V C 2.622 178.747 176.094 0.052 0.000 1.074 246 V CA 2.373 64.707 62.300 0.057 0.000 1.058 246 V CB -0.880 30.989 31.823 0.076 0.000 0.656 246 V HN 0.961 nan 8.190 nan 0.000 0.449 247 E N -0.511 119.717 120.200 0.047 0.000 2.085 247 E HA -0.282 4.068 4.350 -0.001 0.000 0.194 247 E C 1.929 178.547 176.600 0.030 0.000 0.994 247 E CA 1.839 58.264 56.400 0.042 0.000 0.801 247 E CB -0.111 29.610 29.700 0.035 0.000 0.743 247 E HN 0.682 nan 8.360 nan 0.000 0.453 248 D N -0.392 120.016 120.400 0.012 0.000 2.162 248 D HA -0.034 4.606 4.640 -0.001 0.000 0.203 248 D C 1.700 177.984 176.300 -0.026 0.000 0.967 248 D CA 1.064 55.053 54.000 -0.019 0.000 0.840 248 D CB -0.106 40.674 40.800 -0.033 0.000 0.972 248 D HN 0.190 nan 8.370 nan 0.000 0.482 249 A N 1.200 124.023 122.820 0.005 0.000 1.852 249 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 249 A C 2.300 179.899 177.584 0.025 0.000 1.215 249 A CA 2.675 54.722 52.037 0.018 0.000 0.641 249 A CB -1.307 17.716 19.000 0.038 0.000 0.838 249 A HN 0.245 nan 8.150 nan 0.000 0.450 250 A N -0.819 122.036 122.820 0.057 0.000 2.131 250 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 250 A C 2.158 179.846 177.584 0.174 0.000 1.158 250 A CA 1.978 54.079 52.037 0.106 0.000 0.665 250 A CB -0.528 18.532 19.000 0.101 0.000 0.795 250 A HN 0.672 nan 8.150 nan 0.000 0.460 251 R N -1.076 119.466 120.500 0.070 0.000 2.051 251 R HA 0.004 4.343 4.340 -0.001 0.000 0.225 251 R C 1.803 177.905 176.300 -0.330 0.000 1.155 251 R CA 1.224 57.310 56.100 -0.023 0.000 0.945 251 R CB -0.516 29.761 30.300 -0.039 0.000 0.840 251 R HN 0.297 nan 8.270 nan 0.000 0.432 252 L N 1.565 122.651 121.223 -0.228 0.000 2.081 252 L HA -0.133 4.207 4.340 -0.001 0.000 0.212 252 L C 2.510 179.264 176.870 -0.194 0.000 1.080 252 L CA 1.982 56.658 54.840 -0.274 0.000 0.754 252 L CB -0.977 40.894 42.059 -0.314 0.000 0.893 252 L HN 0.444 nan 8.230 nan 0.000 0.433 253 A N -0.090 122.680 122.820 -0.084 0.000 1.870 253 A HA -0.308 4.012 4.320 -0.001 0.000 0.219 253 A C 2.171 179.764 177.584 0.015 0.000 1.224 253 A CA 2.378 54.423 52.037 0.013 0.000 0.650 253 A CB -1.154 17.899 19.000 0.090 0.000 0.836 253 A HN 0.726 nan 8.150 nan 0.000 0.454 254 H N -1.797 117.270 119.070 -0.005 0.000 2.548 254 H HA 0.207 4.763 4.556 -0.000 0.000 0.268 254 H C 1.570 176.892 175.328 -0.009 0.000 0.975 254 H CA 1.139 57.185 56.048 -0.003 0.000 1.195 254 H CB -0.125 29.637 29.762 -0.001 0.000 1.397 254 H HN 0.623 nan 8.280 nan 0.000 0.572 255 E N 0.823 120.777 120.200 -0.411 0.000 2.030 255 E HA -0.062 4.287 4.350 -0.001 0.000 0.189 255 E C -0.045 176.483 176.600 -0.119 0.000 0.974 255 E CA 1.089 57.328 56.400 -0.267 0.000 0.807 255 E CB 0.463 29.968 29.700 -0.325 0.000 0.771 255 E HN 0.287 nan 8.360 nan 0.000 0.451 256 D N -1.179 119.156 120.400 -0.108 0.000 2.405 256 D HA 0.179 4.818 4.640 -0.001 0.000 0.264 256 D C -2.315 173.992 176.300 0.012 0.000 1.240 256 D CA -1.915 52.066 54.000 -0.030 0.000 0.893 256 D CB 1.033 41.828 40.800 -0.008 0.000 1.198 256 D HN -0.171 nan 8.370 nan 0.000 0.514 257 P HA -0.055 nan 4.420 nan 0.000 0.224 257 P C -0.194 177.144 177.300 0.062 0.000 1.142 257 P CA 0.918 64.042 63.100 0.040 0.000 0.778 257 P CB 0.249 31.970 31.700 0.036 0.000 0.764 258 D N -2.538 117.898 120.400 0.061 0.000 2.643 258 D HA 0.021 4.661 4.640 -0.001 0.000 0.244 258 D C 1.076 177.438 176.300 0.103 0.000 1.257 258 D CA -0.520 53.517 54.000 0.063 0.000 0.831 258 D CB -0.516 40.293 40.800 0.015 0.000 1.043 258 D HN 0.116 nan 8.370 nan 0.000 0.488 259 Y N 2.314 122.596 120.300 -0.030 0.000 2.114 259 Y HA -0.195 4.354 4.550 -0.000 0.000 0.282 259 Y C 2.239 178.093 175.900 -0.077 0.000 1.165 259 Y CA 2.057 60.130 58.100 -0.045 0.000 1.148 259 Y CB -0.591 37.836 38.460 -0.054 0.000 0.972 259 Y HN 0.112 nan 8.280 nan 0.000 0.504 260 G N 0.094 108.752 108.800 -0.236 0.000 2.440 260 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.218 260 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.218 260 G C 1.698 176.438 174.900 -0.268 0.000 1.154 260 G CA 1.233 45.994 45.100 -0.565 0.000 0.767 260 G HN 0.424 nan 8.290 nan 0.000 0.552 261 L N 0.975 122.199 121.223 0.002 0.000 1.943 261 L HA -0.092 4.248 4.340 -0.001 0.000 0.215 261 L C 3.151 180.090 176.870 0.115 0.000 1.074 261 L CA 2.460 57.366 54.840 0.111 0.000 0.759 261 L CB -0.615 41.482 42.059 0.064 0.000 0.888 261 L HN 0.388 nan 8.230 nan 0.000 0.433 262 R N -0.233 120.314 120.500 0.078 0.000 2.091 262 R HA -0.227 4.113 4.340 -0.001 0.000 0.238 262 R C 1.869 178.266 176.300 0.162 0.000 1.136 262 R CA 1.879 58.069 56.100 0.150 0.000 0.959 262 R CB -1.305 29.064 30.300 0.114 0.000 0.856 262 R HN 0.487 nan 8.270 nan 0.000 0.437 263 D N 1.197 121.600 120.400 0.005 0.000 2.108 263 D HA -0.246 4.394 4.640 -0.001 0.000 0.190 263 D C 1.983 178.274 176.300 -0.014 0.000 0.995 263 D CA 1.842 55.799 54.000 -0.071 0.000 0.834 263 D CB -0.084 40.497 40.800 -0.365 0.000 0.967 263 D HN 0.261 nan 8.370 nan 0.000 0.446 264 L N -0.600 120.599 121.223 -0.040 0.000 2.081 264 L HA -0.089 4.251 4.340 -0.001 0.000 0.212 264 L C 2.012 178.980 176.870 0.164 0.000 1.080 264 L CA 1.827 56.694 54.840 0.046 0.000 0.754 264 L CB -1.279 40.851 42.059 0.118 0.000 0.893 264 L HN 0.282 nan 8.230 nan 0.000 0.433 265 F N 0.756 120.751 119.950 0.075 0.000 2.098 265 F HA -0.118 4.409 4.527 -0.001 0.000 0.294 265 F C 2.305 178.171 175.800 0.110 0.000 1.107 265 F CA 1.756 59.823 58.000 0.113 0.000 1.234 265 F CB -0.464 38.602 39.000 0.111 0.000 1.002 265 F HN 0.194 nan 8.300 nan 0.000 0.472 266 N N 0.921 119.724 118.700 0.170 0.000 2.289 266 N HA -0.137 4.603 4.740 -0.001 0.000 0.184 266 N C 1.982 177.482 175.510 -0.017 0.000 1.016 266 N CA 1.152 54.235 53.050 0.054 0.000 0.872 266 N CB -0.693 37.886 38.487 0.152 0.000 0.973 266 N HN 0.435 nan 8.380 nan 0.000 0.433 267 A N 1.209 124.033 122.820 0.006 0.000 1.873 267 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 267 A C 2.250 179.854 177.584 0.033 0.000 1.193 267 A CA 1.317 53.356 52.037 0.005 0.000 0.629 267 A CB -0.692 18.310 19.000 0.003 0.000 0.826 267 A HN 0.170 nan 8.150 nan 0.000 0.447 268 I N -0.173 120.428 120.570 0.052 0.000 2.353 268 I HA -0.163 4.006 4.170 -0.001 0.000 0.248 268 I C 2.860 179.034 176.117 0.096 0.000 1.119 268 I CA 1.211 62.618 61.300 0.178 0.000 1.417 268 I CB -0.343 37.693 38.000 0.060 0.000 1.078 268 I HN 0.309 nan 8.210 nan 0.000 0.421 269 A N -0.158 122.569 122.820 -0.155 0.000 1.933 269 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 269 A C 2.006 179.574 177.584 -0.027 0.000 1.175 269 A CA 2.005 53.955 52.037 -0.144 0.000 0.628 269 A CB -1.271 17.568 19.000 -0.268 0.000 0.814 269 A HN 0.474 nan 8.150 nan 0.000 0.444 270 T N -3.110 111.427 114.554 -0.028 0.000 3.341 270 T HA 0.431 4.780 4.350 -0.001 0.000 0.234 270 T C 1.096 175.742 174.700 -0.091 0.000 0.890 270 T CA 0.575 62.655 62.100 -0.033 0.000 0.952 270 T CB -0.670 68.187 68.868 -0.018 0.000 1.146 270 T HN 1.453 nan 8.240 nan 0.000 0.591 271 G N 2.181 110.918 108.800 -0.106 0.000 2.360 271 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.302 271 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.302 271 G C 0.266 174.751 174.900 -0.692 0.000 0.985 271 G CA 0.634 45.487 45.100 -0.413 0.000 0.767 271 G HN 0.760 nan 8.290 nan 0.000 0.513 272 N N -0.025 118.460 118.700 -0.359 0.000 3.301 272 N HA 0.321 5.061 4.740 -0.001 0.000 0.289 272 N C -0.317 175.139 175.510 -0.091 0.000 1.343 272 N CA -0.777 52.124 53.050 -0.248 0.000 1.136 272 N CB 0.040 38.458 38.487 -0.116 0.000 1.402 272 N HN 0.185 nan 8.380 nan 0.000 0.516 273 Y N 0.862 121.155 120.300 -0.012 0.000 2.544 273 Y HA 0.206 4.756 4.550 -0.001 0.000 0.330 273 Y C -1.849 174.034 175.900 -0.028 0.000 1.136 273 Y CA -2.642 55.460 58.100 0.004 0.000 1.417 273 Y CB -0.610 37.871 38.460 0.034 0.000 1.229 273 Y HN 0.355 nan 8.280 nan 0.000 0.532 274 P HA 0.320 nan 4.420 nan 0.000 0.274 274 P C -0.670 176.612 177.300 -0.031 0.000 1.231 274 P CA -0.485 62.556 63.100 -0.099 0.000 0.790 274 P CB 1.212 32.849 31.700 -0.106 0.000 0.951 275 S N 0.065 115.544 115.700 -0.369 0.000 2.556 275 S HA 0.726 5.196 4.470 -0.001 0.000 0.271 275 S C -1.796 172.709 174.600 -0.158 0.000 1.135 275 S CA -0.823 57.377 58.200 0.001 0.000 0.858 275 S CB 1.325 64.552 63.200 0.045 0.000 1.114 275 S HN 0.470 nan 8.310 nan 0.000 0.468 276 W N 0.388 121.807 121.300 0.199 0.000 3.033 276 W HA 0.470 5.130 4.660 -0.001 0.000 0.336 276 W C -1.034 175.615 176.519 0.217 0.000 1.173 276 W CA -0.850 56.645 57.345 0.250 0.000 1.185 276 W CB 2.492 32.194 29.460 0.403 0.000 1.425 276 W HN 0.645 nan 8.180 nan 0.000 0.536 277 T N 2.955 117.764 114.554 0.426 0.000 2.758 277 T HA 0.316 4.666 4.350 -0.001 0.000 0.285 277 T C -0.512 174.320 174.700 0.220 0.000 0.981 277 T CA -0.519 61.730 62.100 0.249 0.000 0.965 277 T CB 1.171 70.149 68.868 0.183 0.000 0.927 277 T HN 0.125 nan 8.240 nan 0.000 0.448 278 L N 4.890 126.188 121.223 0.125 0.000 2.319 278 L HA 0.466 4.806 4.340 -0.001 0.000 0.280 278 L C -1.241 175.523 176.870 -0.178 0.000 1.099 278 L CA 0.096 55.015 54.840 0.131 0.000 0.828 278 L CB -0.111 42.096 42.059 0.247 0.000 1.150 278 L HN 0.583 nan 8.230 nan 0.000 0.442 279 Y N 4.665 125.073 120.300 0.180 0.000 2.633 279 Y HA 0.741 5.291 4.550 -0.000 0.000 0.339 279 Y C -0.256 175.697 175.900 0.088 0.000 1.045 279 Y CA -0.828 57.322 58.100 0.082 0.000 1.098 279 Y CB 1.859 40.354 38.460 0.058 0.000 1.296 279 Y HN 0.505 nan 8.280 nan 0.000 0.494 280 I N -1.580 119.114 120.570 0.208 0.000 2.841 280 I HA 0.524 4.694 4.170 -0.001 0.000 0.298 280 I C -1.772 174.430 176.117 0.142 0.000 1.304 280 I CA -0.883 60.465 61.300 0.081 0.000 1.019 280 I CB 2.300 40.150 38.000 -0.250 0.000 1.282 280 I HN 0.515 nan 8.210 nan 0.000 0.432 281 Q N 3.545 123.495 119.800 0.251 0.000 2.235 281 Q HA 0.799 5.139 4.340 -0.001 0.000 0.256 281 Q C -1.166 175.033 176.000 0.331 0.000 0.951 281 Q CA -1.235 54.789 55.803 0.367 0.000 0.890 281 Q CB 2.974 32.129 28.738 0.694 0.000 1.279 281 Q HN 0.612 nan 8.270 nan 0.000 0.444 282 V N 1.897 121.928 119.914 0.196 0.000 2.555 282 V HA 0.516 4.636 4.120 -0.001 0.000 0.302 282 V C -0.386 175.722 176.094 0.023 0.000 1.038 282 V CA -0.695 61.637 62.300 0.053 0.000 0.887 282 V CB 1.796 33.489 31.823 -0.216 0.000 0.991 282 V HN 0.763 nan 8.190 nan 0.000 0.434 283 M N 4.327 123.917 119.600 -0.017 0.000 2.090 283 M HA 0.318 4.798 4.480 -0.001 0.000 0.277 283 M C 0.122 176.467 176.300 0.076 0.000 0.935 283 M CA -0.278 54.914 55.300 -0.179 0.000 0.966 283 M CB 2.104 34.264 32.600 -0.734 0.000 1.635 283 M HN 1.027 nan 8.290 nan 0.000 0.446 284 T N 0.399 115.026 114.554 0.122 0.000 2.734 284 T HA 0.167 4.517 4.350 -0.001 0.000 0.314 284 T C 0.935 175.806 174.700 0.285 0.000 1.057 284 T CA 0.008 62.233 62.100 0.208 0.000 1.047 284 T CB 0.546 69.510 68.868 0.160 0.000 0.991 284 T HN 0.432 nan 8.240 nan 0.000 0.540 285 F N 0.850 120.778 119.950 -0.037 0.000 2.186 285 F HA 0.028 4.554 4.527 -0.000 0.000 0.299 285 F C 3.005 178.845 175.800 0.067 0.000 1.090 285 F CA 1.022 59.032 58.000 0.016 0.000 1.307 285 F CB -1.296 37.687 39.000 -0.029 0.000 1.019 285 F HN 0.638 nan 8.300 nan 0.000 0.489 286 S N -0.124 115.724 115.700 0.247 0.000 2.351 286 S HA -0.237 4.233 4.470 -0.001 0.000 0.220 286 S C 1.890 176.567 174.600 0.129 0.000 1.035 286 S CA 1.476 59.767 58.200 0.152 0.000 1.031 286 S CB -0.676 62.589 63.200 0.108 0.000 0.928 286 S HN 0.395 nan 8.310 nan 0.000 0.433 287 E N 1.497 121.774 120.200 0.128 0.000 2.033 287 E HA -0.190 4.159 4.350 -0.001 0.000 0.199 287 E C 2.419 179.070 176.600 0.085 0.000 1.011 287 E CA 1.158 57.631 56.400 0.122 0.000 0.815 287 E CB -0.439 29.349 29.700 0.146 0.000 0.755 287 E HN 0.522 nan 8.360 nan 0.000 0.451 288 A N 1.399 124.234 122.820 0.026 0.000 1.927 288 A HA -0.300 4.020 4.320 -0.001 0.000 0.220 288 A C 1.925 179.518 177.584 0.015 0.000 1.185 288 A CA 1.815 53.814 52.037 -0.064 0.000 0.639 288 A CB -0.623 18.377 19.000 -0.001 0.000 0.820 288 A HN 0.230 nan 8.150 nan 0.000 0.451 289 E N -1.028 119.217 120.200 0.075 0.000 2.265 289 E HA -0.138 4.211 4.350 -0.001 0.000 0.196 289 E C 1.615 178.257 176.600 0.071 0.000 0.996 289 E CA 0.709 57.156 56.400 0.078 0.000 0.832 289 E CB -0.128 29.626 29.700 0.089 0.000 0.756 289 E HN 0.572 nan 8.360 nan 0.000 0.491 290 I N 0.088 120.712 120.570 0.090 0.000 2.731 290 I HA -0.030 4.140 4.170 -0.001 0.000 0.260 290 I C 0.643 176.826 176.117 0.110 0.000 1.138 290 I CA -0.087 61.264 61.300 0.085 0.000 1.461 290 I CB -0.426 37.626 38.000 0.087 0.000 1.128 290 I HN -0.078 nan 8.210 nan 0.000 0.438 291 F N 4.704 124.633 119.950 -0.035 0.000 2.480 291 F HA -0.100 4.426 4.527 -0.001 0.000 0.409 291 F C -0.922 174.839 175.800 -0.064 0.000 0.979 291 F CA -0.645 57.338 58.000 -0.030 0.000 1.184 291 F CB 0.073 39.029 39.000 -0.073 0.000 0.925 291 F HN 0.095 nan 8.300 nan 0.000 0.543 292 P HA -0.145 nan 4.420 nan 0.000 0.225 292 P C -0.114 176.769 177.300 -0.693 0.000 1.148 292 P CA 1.470 64.226 63.100 -0.573 0.000 0.779 292 P CB -0.004 31.228 31.700 -0.780 0.000 0.780 293 F N -1.060 118.824 119.950 -0.110 0.000 2.746 293 F HA 0.394 4.921 4.527 -0.000 0.000 0.378 293 F C 0.970 176.930 175.800 0.267 0.000 1.165 293 F CA -1.414 56.650 58.000 0.107 0.000 1.089 293 F CB -0.172 38.917 39.000 0.149 0.000 1.439 293 F HN -0.358 nan 8.300 nan 0.000 0.516 294 N N 2.122 121.074 118.700 0.421 0.000 2.401 294 N HA 0.213 4.953 4.740 -0.001 0.000 0.255 294 N C -2.165 173.371 175.510 0.043 0.000 1.110 294 N CA -1.896 51.256 53.050 0.169 0.000 0.949 294 N CB 1.147 39.731 38.487 0.163 0.000 1.110 294 N HN 0.095 nan 8.380 nan 0.000 0.490 295 P HA 0.016 nan 4.420 nan 0.000 0.234 295 P C 0.206 177.174 177.300 -0.552 0.000 1.167 295 P CA 0.891 63.630 63.100 -0.603 0.000 0.763 295 P CB -0.011 31.106 31.700 -0.973 0.000 0.835 296 F N -1.548 118.350 119.950 -0.087 0.000 2.731 296 F HA 0.187 4.714 4.527 -0.001 0.000 0.298 296 F C 0.995 176.746 175.800 -0.082 0.000 1.106 296 F CA -1.009 56.905 58.000 -0.143 0.000 1.329 296 F CB -0.804 38.099 39.000 -0.162 0.000 1.100 296 F HN -0.160 nan 8.300 nan 0.000 0.592 297 D N 1.828 122.280 120.400 0.087 0.000 2.472 297 D HA -0.065 4.575 4.640 -0.001 0.000 0.248 297 D C 1.244 177.540 176.300 -0.006 0.000 1.174 297 D CA 0.230 54.269 54.000 0.064 0.000 0.883 297 D CB 1.026 41.874 40.800 0.080 0.000 1.149 297 D HN 0.124 nan 8.370 nan 0.000 0.488 298 L N 4.272 125.493 121.223 -0.004 0.000 2.291 298 L HA -0.061 4.278 4.340 -0.001 0.000 0.214 298 L C 2.091 178.889 176.870 -0.120 0.000 1.120 298 L CA 1.570 56.370 54.840 -0.067 0.000 0.799 298 L CB -0.602 41.445 42.059 -0.020 0.000 0.925 298 L HN 0.607 nan 8.230 nan 0.000 0.446 299 T N -3.048 111.456 114.554 -0.084 0.000 3.324 299 T HA 0.153 4.503 4.350 -0.001 0.000 0.250 299 T C 0.443 175.064 174.700 -0.131 0.000 1.059 299 T CA -0.306 61.709 62.100 -0.143 0.000 0.951 299 T CB -0.382 68.442 68.868 -0.074 0.000 1.030 299 T HN 0.107 nan 8.240 nan 0.000 0.576 300 K N 1.152 121.469 120.400 -0.138 0.000 2.477 300 K HA 0.627 4.947 4.320 -0.001 0.000 0.255 300 K C -0.412 176.122 176.600 -0.109 0.000 0.952 300 K CA -0.829 55.405 56.287 -0.089 0.000 0.826 300 K CB 2.835 35.307 32.500 -0.047 0.000 1.331 300 K HN 0.133 nan 8.250 nan 0.000 0.437 301 V N -2.391 117.519 119.914 -0.007 0.000 3.284 301 V HA 0.624 4.743 4.120 -0.001 0.000 0.309 301 V C -1.129 175.165 176.094 0.332 0.000 1.190 301 V CA -0.920 61.394 62.300 0.022 0.000 1.038 301 V CB 1.432 33.276 31.823 0.035 0.000 1.198 301 V HN 0.640 nan 8.190 nan 0.000 0.465 302 W N 0.654 122.004 121.300 0.083 0.000 2.362 302 W HA 0.635 5.294 4.660 -0.001 0.000 0.316 302 W C -2.639 173.991 176.519 0.185 0.000 1.024 302 W CA -2.745 54.711 57.345 0.184 0.000 1.270 302 W CB 0.413 29.894 29.460 0.034 0.000 1.273 302 W HN 0.414 nan 8.180 nan 0.000 0.424 303 P HA -0.079 nan 4.420 nan 0.000 0.260 303 P C 0.865 178.332 177.300 0.278 0.000 1.172 303 P CA 0.835 64.103 63.100 0.280 0.000 0.760 303 P CB 0.567 32.424 31.700 0.261 0.000 0.773 304 H N 1.973 121.180 119.070 0.228 0.000 2.387 304 H HA -0.152 4.404 4.556 -0.001 0.000 0.299 304 H C 2.164 177.552 175.328 0.100 0.000 1.099 304 H CA 1.637 57.774 56.048 0.149 0.000 1.315 304 H CB -0.231 29.578 29.762 0.078 0.000 1.380 304 H HN 0.605 nan 8.280 nan 0.000 0.513 305 G N 0.103 109.026 108.800 0.204 0.000 2.402 305 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.216 305 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.216 305 G C 1.283 176.194 174.900 0.018 0.000 1.162 305 G CA 0.979 46.134 45.100 0.093 0.000 0.777 305 G HN 0.315 nan 8.290 nan 0.000 0.539 306 D N -0.491 119.908 120.400 -0.002 0.000 2.123 306 D HA 0.003 4.643 4.640 -0.001 0.000 0.200 306 D C -0.038 175.938 176.300 -0.540 0.000 0.976 306 D CA 0.774 54.618 54.000 -0.261 0.000 0.831 306 D CB 0.017 40.687 40.800 -0.216 0.000 0.974 306 D HN 0.384 nan 8.370 nan 0.000 0.469 307 Y N 0.546 120.901 120.300 0.092 0.000 2.705 307 Y HA 0.293 4.843 4.550 -0.001 0.000 0.355 307 Y C -2.139 173.847 175.900 0.144 0.000 1.039 307 Y CA -2.317 55.830 58.100 0.078 0.000 1.233 307 Y CB 1.494 39.963 38.460 0.015 0.000 1.103 307 Y HN -0.125 nan 8.280 nan 0.000 0.624 308 P HA 0.078 nan 4.420 nan 0.000 0.269 308 P C -0.270 177.106 177.300 0.126 0.000 1.215 308 P CA -0.058 63.121 63.100 0.131 0.000 0.780 308 P CB 1.491 33.230 31.700 0.066 0.000 0.898 309 L N 1.510 122.755 121.223 0.037 0.000 2.418 309 L HA 0.423 4.763 4.340 -0.001 0.000 0.265 309 L C 0.479 177.447 176.870 0.163 0.000 1.143 309 L CA -0.603 54.261 54.840 0.041 0.000 0.809 309 L CB -0.244 41.653 42.059 -0.270 0.000 1.124 309 L HN 0.199 nan 8.230 nan 0.000 0.456 310 I N 2.309 123.049 120.570 0.283 0.000 2.436 310 I HA 0.418 4.588 4.170 -0.001 0.000 0.289 310 I C -2.305 173.857 176.117 0.076 0.000 1.010 310 I CA -1.915 59.492 61.300 0.178 0.000 1.098 310 I CB 1.747 39.794 38.000 0.079 0.000 1.266 310 I HN 0.355 nan 8.210 nan 0.000 0.434 311 P HA 0.184 nan 4.420 nan 0.000 0.274 311 P C 0.274 177.206 177.300 -0.614 0.000 1.237 311 P CA -0.070 62.544 63.100 -0.810 0.000 0.793 311 P CB 1.449 32.627 31.700 -0.869 0.000 0.977 312 V N -0.070 119.632 119.914 -0.353 0.000 3.221 312 V HA 0.605 4.725 4.120 -0.001 0.000 0.254 312 V C 0.103 176.219 176.094 0.035 0.000 1.586 312 V CA 1.196 63.434 62.300 -0.103 0.000 1.074 312 V CB 0.325 32.034 31.823 -0.190 0.000 0.912 312 V HN 0.755 nan 8.190 nan 0.000 0.426 313 G N 0.002 108.832 108.800 0.050 0.000 2.441 313 G HA2 0.434 4.394 3.960 -0.001 0.000 0.294 313 G HA3 0.434 4.394 3.960 -0.001 0.000 0.294 313 G C -2.066 172.896 174.900 0.103 0.000 1.393 313 G CA -0.704 44.396 45.100 -0.000 0.000 0.796 313 G HN 0.143 nan 8.290 nan 0.000 0.494 314 K N -0.116 120.285 120.400 0.002 0.000 2.164 314 K HA 0.637 4.957 4.320 -0.001 0.000 0.258 314 K C -1.059 175.696 176.600 0.258 0.000 0.951 314 K CA -0.649 55.721 56.287 0.139 0.000 0.844 314 K CB 1.912 34.468 32.500 0.093 0.000 1.099 314 K HN 0.321 nan 8.250 nan 0.000 0.435 315 L N 3.105 124.515 121.223 0.311 0.000 2.342 315 L HA 0.374 4.714 4.340 -0.001 0.000 0.276 315 L C -0.916 176.085 176.870 0.218 0.000 0.997 315 L CA -0.811 54.210 54.840 0.303 0.000 0.838 315 L CB 1.851 44.121 42.059 0.352 0.000 1.224 315 L HN 0.177 nan 8.230 nan 0.000 0.416 316 V N 5.072 124.929 119.914 -0.094 0.000 2.540 316 V HA 0.483 4.602 4.120 -0.001 0.000 0.302 316 V C -0.200 175.827 176.094 -0.112 0.000 1.035 316 V CA -0.544 61.659 62.300 -0.162 0.000 0.873 316 V CB 2.161 33.655 31.823 -0.549 0.000 0.992 316 V HN 0.484 nan 8.190 nan 0.000 0.428 317 L N 4.821 126.099 121.223 0.091 0.000 2.313 317 L HA 0.593 4.933 4.340 -0.001 0.000 0.283 317 L C 0.213 177.053 176.870 -0.049 0.000 1.013 317 L CA -0.233 54.662 54.840 0.092 0.000 0.816 317 L CB 1.345 43.551 42.059 0.245 0.000 1.236 317 L HN 0.957 nan 8.230 nan 0.000 0.419 318 N N 0.980 119.573 118.700 -0.179 0.000 2.261 318 N HA 0.121 4.861 4.740 -0.001 0.000 0.241 318 N C -0.317 174.992 175.510 -0.334 0.000 1.374 318 N CA -0.680 51.992 53.050 -0.631 0.000 0.802 318 N CB 0.673 38.477 38.487 -1.137 0.000 1.339 318 N HN 0.308 nan 8.380 nan 0.000 0.498 319 R N 1.529 122.007 120.500 -0.036 0.000 2.631 319 R HA 0.265 4.605 4.340 -0.001 0.000 0.289 319 R C -1.431 175.008 176.300 0.232 0.000 1.303 319 R CA -0.339 55.809 56.100 0.079 0.000 0.989 319 R CB 0.382 30.744 30.300 0.103 0.000 1.208 319 R HN 0.157 nan 8.270 nan 0.000 0.461 320 N N 4.196 123.004 118.700 0.179 0.000 2.479 320 N HA 0.186 4.925 4.740 -0.001 0.000 0.257 320 N C -2.162 173.593 175.510 0.407 0.000 1.232 320 N CA -0.843 52.386 53.050 0.298 0.000 0.920 320 N CB 0.602 39.234 38.487 0.241 0.000 1.105 320 N HN 0.369 nan 8.380 nan 0.000 0.444 321 P HA -0.029 nan 4.420 nan 0.000 0.268 321 P C 0.593 178.100 177.300 0.345 0.000 1.208 321 P CA -0.067 63.311 63.100 0.463 0.000 0.777 321 P CB 0.797 32.749 31.700 0.419 0.000 0.875 322 V N 0.226 120.289 119.914 0.249 0.000 3.125 322 V HA 0.078 4.198 4.120 -0.001 0.000 0.249 322 V C 1.088 177.299 176.094 0.195 0.000 1.113 322 V CA 1.102 63.528 62.300 0.209 0.000 1.106 322 V CB -0.631 31.278 31.823 0.144 0.000 0.768 322 V HN 0.690 nan 8.190 nan 0.000 0.468 323 N N -1.070 117.747 118.700 0.195 0.000 2.500 323 N HA 0.114 4.854 4.740 -0.001 0.000 0.291 323 N C 0.115 175.767 175.510 0.237 0.000 1.092 323 N CA -0.392 52.776 53.050 0.195 0.000 0.890 323 N CB 1.889 40.473 38.487 0.162 0.000 1.466 323 N HN 0.122 nan 8.380 nan 0.000 0.507 324 Y N 4.661 125.051 120.300 0.149 0.000 2.128 324 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 324 Y C 1.734 177.738 175.900 0.173 0.000 1.154 324 Y CA 1.896 60.086 58.100 0.150 0.000 1.149 324 Y CB -0.231 38.298 38.460 0.115 0.000 0.976 324 Y HN 0.649 nan 8.280 nan 0.000 0.505 325 F N 0.407 120.420 119.950 0.105 0.000 2.046 325 F HA -0.249 4.277 4.527 -0.001 0.000 0.297 325 F C 2.417 178.188 175.800 -0.049 0.000 1.123 325 F CA 2.102 60.112 58.000 0.015 0.000 1.199 325 F CB -1.132 37.916 39.000 0.080 0.000 0.972 325 F HN 0.104 nan 8.300 nan 0.000 0.474 326 A N 0.188 123.083 122.820 0.123 0.000 1.865 326 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 326 A C 2.086 179.627 177.584 -0.073 0.000 1.191 326 A CA 2.136 54.176 52.037 0.005 0.000 0.623 326 A CB -0.965 18.104 19.000 0.115 0.000 0.826 326 A HN 0.640 nan 8.150 nan 0.000 0.444 327 E N -0.996 119.203 120.200 -0.001 0.000 2.250 327 E HA 0.040 4.389 4.350 -0.001 0.000 0.192 327 E C 1.688 178.284 176.600 -0.007 0.000 0.986 327 E CA 1.052 57.502 56.400 0.084 0.000 0.849 327 E CB -0.012 29.849 29.700 0.269 0.000 0.797 327 E HN 0.452 nan 8.360 nan 0.000 0.482 328 V N 0.615 120.391 119.914 -0.230 0.000 2.854 328 V HA -0.074 4.046 4.120 -0.001 0.000 0.236 328 V C 2.128 177.968 176.094 -0.423 0.000 1.157 328 V CA 0.776 62.858 62.300 -0.363 0.000 1.187 328 V CB -0.025 31.459 31.823 -0.564 0.000 0.949 328 V HN 0.019 nan 8.190 nan 0.000 0.488 329 E N 1.322 121.156 120.200 -0.610 0.000 2.049 329 E HA -0.281 4.069 4.350 -0.001 0.000 0.198 329 E C 2.134 178.522 176.600 -0.354 0.000 1.007 329 E CA 1.940 58.090 56.400 -0.416 0.000 0.809 329 E CB -0.359 29.112 29.700 -0.383 0.000 0.749 329 E HN 0.609 nan 8.360 nan 0.000 0.450 330 Q N -0.387 119.140 119.800 -0.455 0.000 2.500 330 Q HA 0.015 4.354 4.340 -0.001 0.000 0.213 330 Q C 0.197 176.048 176.000 -0.249 0.000 0.974 330 Q CA -0.175 55.412 55.803 -0.359 0.000 0.918 330 Q CB -0.067 28.441 28.738 -0.384 0.000 0.980 330 Q HN 0.315 nan 8.270 nan 0.000 0.505 331 L N 1.197 122.273 121.223 -0.246 0.000 2.540 331 L HA 0.010 4.349 4.340 -0.001 0.000 0.276 331 L C -0.169 176.485 176.870 -0.360 0.000 1.212 331 L CA -0.320 54.330 54.840 -0.316 0.000 0.893 331 L CB 0.387 42.266 42.059 -0.300 0.000 1.138 331 L HN 0.055 nan 8.230 nan 0.000 0.491 332 A N 5.346 127.837 122.820 -0.548 0.000 2.335 332 A HA 0.686 5.006 4.320 -0.001 0.000 0.304 332 A C -1.173 175.999 177.584 -0.687 0.000 1.118 332 A CA -0.415 51.217 52.037 -0.675 0.000 0.757 332 A CB 0.638 19.139 19.000 -0.832 0.000 1.188 332 A HN 0.506 nan 8.150 nan 0.000 0.460 333 F N 1.856 121.726 119.950 -0.134 0.000 2.427 333 F HA 0.350 4.877 4.527 -0.000 0.000 0.348 333 F C -0.309 175.507 175.800 0.026 0.000 1.125 333 F CA -0.425 57.518 58.000 -0.096 0.000 0.989 333 F CB 2.082 41.000 39.000 -0.137 0.000 1.165 333 F HN 0.454 nan 8.300 nan 0.000 0.442 334 D N 6.259 126.713 120.400 0.089 0.000 2.454 334 D HA 0.209 4.849 4.640 -0.001 0.000 0.225 334 D C -1.837 174.417 176.300 -0.077 0.000 1.081 334 D CA -1.514 52.529 54.000 0.070 0.000 0.864 334 D CB 1.789 42.662 40.800 0.121 0.000 1.040 334 D HN 0.167 nan 8.370 nan 0.000 0.517 335 P HA -0.234 nan 4.420 nan 0.000 0.218 335 P C 1.515 178.765 177.300 -0.083 0.000 1.152 335 P CA 1.361 64.308 63.100 -0.255 0.000 0.857 335 P CB 0.200 31.629 31.700 -0.452 0.000 0.787 336 S N -1.924 113.747 115.700 -0.048 0.000 2.447 336 S HA -0.137 4.333 4.470 -0.001 0.000 0.233 336 S C 1.080 175.691 174.600 0.017 0.000 1.006 336 S CA 0.600 58.802 58.200 0.003 0.000 0.957 336 S CB -1.553 61.661 63.200 0.024 0.000 0.773 336 S HN 0.216 nan 8.310 nan 0.000 0.507 337 N N 1.551 120.259 118.700 0.014 0.000 2.814 337 N HA 0.231 4.971 4.740 -0.001 0.000 0.304 337 N C -0.969 174.590 175.510 0.081 0.000 1.211 337 N CA 0.065 53.129 53.050 0.023 0.000 1.158 337 N CB -0.245 38.242 38.487 -0.001 0.000 1.458 337 N HN 0.463 nan 8.380 nan 0.000 0.519 338 M N 2.345 121.969 119.600 0.040 0.000 2.181 338 M HA 0.401 4.881 4.480 -0.001 0.000 0.323 338 M C -2.230 174.008 176.300 -0.104 0.000 1.004 338 M CA -1.844 53.448 55.300 -0.013 0.000 0.941 338 M CB 1.888 34.482 32.600 -0.009 0.000 1.579 338 M HN 0.143 nan 8.290 nan 0.000 0.427 339 P HA 0.449 nan 4.420 nan 0.000 0.278 339 P C -2.777 174.393 177.300 -0.217 0.000 1.266 339 P CA -1.775 61.204 63.100 -0.201 0.000 0.807 339 P CB -0.643 30.915 31.700 -0.237 0.000 1.094 340 P HA 0.113 nan 4.420 nan 0.000 0.260 340 P C 0.876 178.079 177.300 -0.161 0.000 1.185 340 P CA 1.360 64.387 63.100 -0.120 0.000 0.763 340 P CB -0.403 31.245 31.700 -0.087 0.000 0.776 341 G N 2.813 111.541 108.800 -0.120 0.000 2.545 341 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.195 341 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.195 341 G C -0.124 174.717 174.900 -0.098 0.000 1.009 341 G CA -0.382 44.650 45.100 -0.112 0.000 0.703 341 G HN 0.476 nan 8.290 nan 0.000 0.479 342 I N 0.927 121.401 120.570 -0.159 0.000 2.509 342 I HA 0.742 4.912 4.170 -0.001 0.000 0.293 342 I C -0.420 175.699 176.117 0.003 0.000 1.020 342 I CA -0.824 60.420 61.300 -0.094 0.000 1.088 342 I CB 2.067 39.870 38.000 -0.329 0.000 1.267 342 I HN 0.070 nan 8.210 nan 0.000 0.430 343 E N 5.322 125.605 120.200 0.138 0.000 2.433 343 E HA 0.463 4.813 4.350 -0.001 0.000 0.278 343 E C -2.738 174.012 176.600 0.251 0.000 0.976 343 E CA -1.773 54.725 56.400 0.163 0.000 0.793 343 E CB 3.284 33.079 29.700 0.159 0.000 1.311 343 E HN 0.321 nan 8.360 nan 0.000 0.460 344 P HA 0.067 nan 4.420 nan 0.000 0.278 344 P C -0.707 176.608 177.300 0.025 0.000 1.258 344 P CA -0.344 62.800 63.100 0.073 0.000 0.811 344 P CB 1.164 32.856 31.700 -0.012 0.000 1.063 345 S N 0.018 115.639 115.700 -0.132 0.000 2.718 345 S HA 0.521 4.991 4.470 -0.001 0.000 0.300 345 S C -2.089 172.283 174.600 -0.380 0.000 1.117 345 S CA -1.625 56.435 58.200 -0.232 0.000 1.002 345 S CB 0.792 63.804 63.200 -0.313 0.000 1.092 345 S HN 0.312 nan 8.310 nan 0.000 0.542 346 P HA 0.105 nan 4.420 nan 0.000 0.269 346 P C -0.476 176.565 177.300 -0.432 0.000 1.461 346 P CA 0.055 62.851 63.100 -0.506 0.000 0.809 346 P CB -0.749 30.632 31.700 -0.531 0.000 1.503 347 D N 1.359 121.540 120.400 -0.365 0.000 2.349 347 D HA -0.019 4.620 4.640 -0.001 0.000 0.266 347 D C 1.032 177.235 176.300 -0.161 0.000 1.293 347 D CA 0.020 53.908 54.000 -0.185 0.000 0.926 347 D CB 0.586 41.273 40.800 -0.189 0.000 1.090 347 D HN 0.004 nan 8.370 nan 0.000 0.502 348 K N 3.299 123.650 120.400 -0.082 0.000 2.588 348 K HA -0.136 4.184 4.320 -0.001 0.000 0.196 348 K C 1.289 177.857 176.600 -0.052 0.000 1.044 348 K CA 0.711 56.965 56.287 -0.054 0.000 0.934 348 K CB 0.258 32.761 32.500 0.005 0.000 0.773 348 K HN 0.565 nan 8.250 nan 0.000 0.489 349 M N -0.996 118.559 119.600 -0.075 0.000 2.740 349 M HA 0.008 4.487 4.480 -0.001 0.000 0.253 349 M C 1.855 178.030 176.300 -0.208 0.000 1.341 349 M CA 0.418 55.676 55.300 -0.069 0.000 1.176 349 M CB -0.277 32.340 32.600 0.030 0.000 1.310 349 M HN 0.092 nan 8.290 nan 0.000 0.531 350 L N 1.445 122.402 121.223 -0.444 0.000 2.093 350 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 350 L C 2.353 179.015 176.870 -0.347 0.000 1.085 350 L CA 1.883 56.274 54.840 -0.748 0.000 0.755 350 L CB -0.660 40.809 42.059 -0.984 0.000 0.904 350 L HN 0.237 nan 8.230 nan 0.000 0.435 351 Q N 0.019 119.674 119.800 -0.242 0.000 2.030 351 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 351 Q C 2.150 178.107 176.000 -0.071 0.000 0.986 351 Q CA 1.842 57.558 55.803 -0.144 0.000 0.843 351 Q CB -1.031 27.628 28.738 -0.132 0.000 0.904 351 Q HN 0.663 nan 8.270 nan 0.000 0.420 352 G N 1.087 109.851 108.800 -0.061 0.000 2.442 352 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.219 352 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.219 352 G C 1.492 176.433 174.900 0.069 0.000 1.141 352 G CA 0.637 45.743 45.100 0.010 0.000 0.763 352 G HN 0.288 nan 8.290 nan 0.000 0.554 353 R N -0.217 120.284 120.500 0.002 0.000 2.241 353 R HA 0.132 4.471 4.340 -0.001 0.000 0.224 353 R C 2.442 178.810 176.300 0.112 0.000 1.101 353 R CA 0.304 56.477 56.100 0.120 0.000 0.995 353 R CB -0.322 29.984 30.300 0.011 0.000 0.870 353 R HN 0.350 nan 8.270 nan 0.000 0.463 354 L N -0.403 120.842 121.223 0.037 0.000 2.131 354 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 354 L C 2.142 179.085 176.870 0.121 0.000 1.092 354 L CA 1.246 56.113 54.840 0.045 0.000 0.759 354 L CB -0.315 41.758 42.059 0.023 0.000 0.903 354 L HN 0.188 nan 8.230 nan 0.000 0.435 355 F N 0.347 120.311 119.950 0.022 0.000 2.164 355 F HA 0.070 4.597 4.527 -0.001 0.000 0.287 355 F C 2.475 178.294 175.800 0.033 0.000 1.086 355 F CA 0.937 58.951 58.000 0.024 0.000 1.249 355 F CB -0.427 38.569 39.000 -0.006 0.000 1.059 355 F HN -0.090 nan 8.300 nan 0.000 0.490 356 A N 0.153 122.810 122.820 -0.271 0.000 1.917 356 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 356 A C 2.056 179.368 177.584 -0.453 0.000 1.182 356 A CA 2.096 53.859 52.037 -0.457 0.000 0.633 356 A CB -1.687 17.217 19.000 -0.160 0.000 0.819 356 A HN 0.606 nan 8.150 nan 0.000 0.448 357 Y N 0.033 120.144 120.300 -0.315 0.000 2.049 357 Y HA -0.115 4.435 4.550 -0.001 0.000 0.277 357 Y C -0.079 175.633 175.900 -0.313 0.000 1.143 357 Y CA 2.190 60.096 58.100 -0.322 0.000 1.115 357 Y CB -1.723 36.660 38.460 -0.129 0.000 0.975 357 Y HN 0.280 nan 8.280 nan 0.000 0.487 358 P HA -0.118 nan 4.420 nan 0.000 0.222 358 P C 0.881 178.121 177.300 -0.100 0.000 1.147 358 P CA 1.878 65.057 63.100 0.130 0.000 0.790 358 P CB 0.036 31.828 31.700 0.154 0.000 0.780 359 D N -0.687 119.503 120.400 -0.349 0.000 2.106 359 D HA -0.145 4.495 4.640 -0.001 0.000 0.194 359 D C 1.714 177.853 176.300 -0.268 0.000 0.988 359 D CA 1.940 55.691 54.000 -0.416 0.000 0.845 359 D CB -0.925 39.365 40.800 -0.849 0.000 0.990 359 D HN 0.006 nan 8.370 nan 0.000 0.448 360 T N -1.094 113.257 114.554 -0.338 0.000 2.737 360 T HA -0.205 4.144 4.350 -0.001 0.000 0.269 360 T C 1.688 176.241 174.700 -0.246 0.000 1.040 360 T CA 1.752 63.704 62.100 -0.246 0.000 1.142 360 T CB -0.763 67.904 68.868 -0.335 0.000 0.861 360 T HN 0.389 nan 8.240 nan 0.000 0.456 361 H N 0.398 119.261 119.070 -0.344 0.000 2.422 361 H HA 0.037 4.593 4.556 -0.001 0.000 0.298 361 H C 2.652 177.643 175.328 -0.561 0.000 1.098 361 H CA 0.945 56.608 56.048 -0.642 0.000 1.315 361 H CB 0.040 29.039 29.762 -1.271 0.000 1.382 361 H HN 0.215 nan 8.280 nan 0.000 0.523 362 R N -0.784 119.616 120.500 -0.167 0.000 2.115 362 R HA -0.124 4.216 4.340 -0.001 0.000 0.226 362 R C 2.069 178.396 176.300 0.045 0.000 1.100 362 R CA 1.524 57.644 56.100 0.033 0.000 0.980 362 R CB -0.038 30.313 30.300 0.085 0.000 0.875 362 R HN 0.493 nan 8.270 nan 0.000 0.445 363 H N -0.175 118.849 119.070 -0.077 0.000 2.431 363 H HA 0.104 4.660 4.556 -0.001 0.000 0.295 363 H C 2.083 177.379 175.328 -0.053 0.000 1.038 363 H CA 1.090 57.106 56.048 -0.053 0.000 1.360 363 H CB 0.195 29.921 29.762 -0.059 0.000 1.433 363 H HN -0.058 nan 8.280 nan 0.000 0.536 364 R N -0.245 120.061 120.500 -0.323 0.000 2.073 364 R HA 0.010 4.350 4.340 -0.001 0.000 0.229 364 R C 1.512 177.683 176.300 -0.216 0.000 1.120 364 R CA 1.716 57.610 56.100 -0.343 0.000 0.967 364 R CB 0.042 30.241 30.300 -0.169 0.000 0.862 364 R HN 0.419 nan 8.270 nan 0.000 0.436 365 L N -1.615 119.520 121.223 -0.146 0.000 2.349 365 L HA 0.389 4.729 4.340 -0.001 0.000 0.200 365 L C 0.724 177.586 176.870 -0.012 0.000 1.064 365 L CA 0.355 55.150 54.840 -0.076 0.000 0.821 365 L CB 0.662 42.687 42.059 -0.056 0.000 1.027 365 L HN 0.443 nan 8.230 nan 0.000 0.476 366 G N -1.775 107.045 108.800 0.032 0.000 2.333 366 G HA2 0.029 3.988 3.960 -0.001 0.000 0.330 366 G HA3 0.029 3.988 3.960 -0.001 0.000 0.330 366 G C -2.688 172.316 174.900 0.174 0.000 1.465 366 G CA -0.730 44.416 45.100 0.076 0.000 0.996 366 G HN -0.263 nan 8.290 nan 0.000 0.655 367 P HA -0.107 nan 4.420 nan 0.000 0.216 367 P C 1.129 178.497 177.300 0.113 0.000 1.157 367 P CA 1.283 64.466 63.100 0.139 0.000 0.880 367 P CB 0.123 31.869 31.700 0.076 0.000 0.791 368 N N -0.830 117.901 118.700 0.053 0.000 2.410 368 N HA -0.011 4.729 4.740 -0.001 0.000 0.231 368 N C 1.004 176.476 175.510 -0.064 0.000 1.172 368 N CA -0.040 52.988 53.050 -0.037 0.000 0.849 368 N CB -0.701 37.770 38.487 -0.026 0.000 1.116 368 N HN 0.403 nan 8.380 nan 0.000 0.485 369 Y N -0.885 119.390 120.300 -0.042 0.000 2.465 369 Y HA -0.011 4.538 4.550 -0.000 0.000 0.289 369 Y C 1.447 177.288 175.900 -0.097 0.000 1.150 369 Y CA 0.758 58.814 58.100 -0.072 0.000 1.293 369 Y CB -0.466 37.947 38.460 -0.078 0.000 0.977 369 Y HN 0.025 nan 8.280 nan 0.000 0.556 370 L N 0.443 121.236 121.223 -0.715 0.000 2.599 370 L HA -0.008 4.331 4.340 -0.001 0.000 0.230 370 L C 1.931 178.667 176.870 -0.225 0.000 1.141 370 L CA 0.611 55.148 54.840 -0.506 0.000 0.877 370 L CB -0.312 41.417 42.059 -0.549 0.000 1.009 370 L HN 0.361 nan 8.230 nan 0.000 0.447 371 Q N -0.177 119.526 119.800 -0.163 0.000 2.392 371 Q HA 0.174 4.513 4.340 -0.001 0.000 0.203 371 Q C 0.428 176.397 176.000 -0.051 0.000 0.917 371 Q CA -0.021 55.730 55.803 -0.087 0.000 0.939 371 Q CB 0.589 29.286 28.738 -0.068 0.000 1.063 371 Q HN 0.465 nan 8.270 nan 0.000 0.516 372 I N 2.054 122.597 120.570 -0.046 0.000 2.556 372 I HA -0.018 4.152 4.170 -0.001 0.000 0.284 372 I C -1.593 174.509 176.117 -0.025 0.000 1.114 372 I CA -1.711 59.571 61.300 -0.030 0.000 1.418 372 I CB 0.565 38.547 38.000 -0.031 0.000 1.394 372 I HN -0.084 nan 8.210 nan 0.000 0.552 373 P HA -0.265 nan 4.420 nan 0.000 0.216 373 P C 1.697 179.003 177.300 0.010 0.000 1.151 373 P CA 1.551 64.629 63.100 -0.037 0.000 0.953 373 P CB -0.120 31.538 31.700 -0.070 0.000 0.789 374 V N -0.402 119.517 119.914 0.008 0.000 2.370 374 V HA -0.273 3.847 4.120 -0.001 0.000 0.252 374 V C 1.830 178.000 176.094 0.128 0.000 1.068 374 V CA 2.382 64.733 62.300 0.084 0.000 1.061 374 V CB -1.506 30.342 31.823 0.042 0.000 0.656 374 V HN 0.192 nan 8.190 nan 0.000 0.455 375 N N -0.974 117.738 118.700 0.021 0.000 2.373 375 N HA 0.041 4.781 4.740 -0.001 0.000 0.181 375 N C 0.781 176.301 175.510 0.017 0.000 1.082 375 N CA 0.517 53.546 53.050 -0.035 0.000 0.885 375 N CB -0.085 38.348 38.487 -0.090 0.000 0.977 375 N HN 0.517 nan 8.380 nan 0.000 0.462 376 C N 4.581 123.930 119.300 0.081 0.000 2.648 376 C HA 0.136 4.596 4.460 -0.001 0.000 0.415 376 C C -1.786 173.329 174.990 0.208 0.000 1.366 376 C CA -1.176 57.896 59.018 0.090 0.000 1.756 376 C CB -0.044 27.744 27.740 0.079 0.000 2.549 376 C HN 0.231 nan 8.230 nan 0.000 0.597 377 P HA 0.102 nan 4.420 nan 0.000 0.230 377 P C 0.008 177.332 177.300 0.041 0.000 1.791 377 P CA 0.059 63.195 63.100 0.060 0.000 1.020 377 P CB -0.758 30.928 31.700 -0.023 0.000 1.977 378 Y N 0.047 120.387 120.300 0.065 0.000 2.569 378 Y HA 0.011 4.561 4.550 -0.001 0.000 0.293 378 Y C 1.530 177.430 175.900 -0.000 0.000 1.144 378 Y CA 0.429 58.525 58.100 -0.007 0.000 1.321 378 Y CB -0.654 37.763 38.460 -0.072 0.000 0.982 378 Y HN -0.055 nan 8.280 nan 0.000 0.558 379 R N 0.953 121.280 120.500 -0.289 0.000 2.356 379 R HA 0.477 4.816 4.340 -0.001 0.000 0.234 379 R C 0.090 176.352 176.300 -0.064 0.000 0.929 379 R CA 0.556 56.559 56.100 -0.162 0.000 1.084 379 R CB 0.223 30.384 30.300 -0.231 0.000 1.105 379 R HN 0.470 nan 8.270 nan 0.000 0.515 380 A N 0.878 123.671 122.820 -0.045 0.000 2.486 380 A HA 0.700 5.020 4.320 -0.001 0.000 0.277 380 A C -1.020 176.552 177.584 -0.020 0.000 1.282 380 A CA -0.700 51.317 52.037 -0.034 0.000 0.784 380 A CB 1.319 20.293 19.000 -0.044 0.000 1.350 380 A HN 0.121 nan 8.150 nan 0.000 0.454 381 R N -0.142 120.339 120.500 -0.031 0.000 2.472 381 R HA 0.470 4.809 4.340 -0.001 0.000 0.294 381 R C -1.629 174.639 176.300 -0.053 0.000 1.243 381 R CA -0.274 55.805 56.100 -0.034 0.000 1.023 381 R CB 0.810 31.090 30.300 -0.034 0.000 1.157 381 R HN 0.701 nan 8.270 nan 0.000 0.530 382 V N 4.058 123.939 119.914 -0.056 0.000 2.446 382 V HA 0.627 4.747 4.120 -0.001 0.000 0.276 382 V C -0.636 175.397 176.094 -0.102 0.000 1.030 382 V CA 0.711 62.965 62.300 -0.077 0.000 1.033 382 V CB 0.448 32.227 31.823 -0.074 0.000 0.993 382 V HN 0.856 nan 8.190 nan 0.000 0.477 383 A N 5.950 128.691 122.820 -0.131 0.000 2.402 383 A HA 0.855 5.175 4.320 -0.001 0.000 0.291 383 A C -0.531 176.888 177.584 -0.275 0.000 1.051 383 A CA -0.454 51.469 52.037 -0.189 0.000 0.716 383 A CB 1.329 20.228 19.000 -0.168 0.000 1.223 383 A HN 1.071 nan 8.150 nan 0.000 0.425 384 N N -0.062 118.409 118.700 -0.382 0.000 3.622 384 N HA 0.338 5.078 4.740 -0.001 0.000 0.352 384 N C -0.942 174.090 175.510 -0.795 0.000 1.559 384 N CA -0.512 52.221 53.050 -0.529 0.000 0.801 384 N CB 0.251 38.602 38.487 -0.227 0.000 2.399 384 N HN 0.237 nan 8.380 nan 0.000 0.545 385 Y N -0.347 119.901 120.300 -0.087 0.000 2.713 385 Y HA 0.446 4.996 4.550 -0.001 0.000 0.269 385 Y C -0.336 175.556 175.900 -0.013 0.000 1.106 385 Y CA -0.433 57.642 58.100 -0.043 0.000 1.174 385 Y CB 0.309 38.753 38.460 -0.026 0.000 1.186 385 Y HN 0.216 nan 8.280 nan 0.000 0.555 386 Q N 1.138 120.955 119.800 0.028 0.000 2.245 386 Q HA 0.676 5.015 4.340 -0.001 0.000 0.256 386 Q C -0.255 175.751 176.000 0.010 0.000 0.942 386 Q CA -0.847 54.974 55.803 0.029 0.000 0.896 386 Q CB 2.060 30.797 28.738 -0.001 0.000 1.272 386 Q HN 0.166 nan 8.270 nan 0.000 0.442 387 R N 1.508 122.022 120.500 0.023 0.000 2.764 387 R HA 0.350 4.689 4.340 -0.001 0.000 0.270 387 R C -0.828 175.480 176.300 0.014 0.000 1.014 387 R CA -0.615 55.494 56.100 0.014 0.000 0.904 387 R CB 1.371 31.689 30.300 0.029 0.000 1.236 387 R HN 0.761 nan 8.270 nan 0.000 0.466 388 D N -0.156 120.249 120.400 0.007 0.000 3.455 388 D HA -0.205 4.435 4.640 -0.001 0.000 0.216 388 D C 0.416 176.721 176.300 0.008 0.000 1.510 388 D CA 2.002 56.007 54.000 0.009 0.000 1.128 388 D CB -1.086 39.724 40.800 0.016 0.000 0.680 388 D HN 0.933 nan 8.370 nan 0.000 0.828 389 G N -0.826 107.982 108.800 0.014 0.000 2.690 389 G HA2 0.161 4.121 3.960 -0.001 0.000 0.686 389 G HA3 0.161 4.121 3.960 -0.001 0.000 0.686 389 G C -2.805 172.105 174.900 0.016 0.000 1.277 389 G CA -0.284 44.827 45.100 0.018 0.000 0.799 389 G HN 0.563 nan 8.290 nan 0.000 0.613 390 P HA 0.281 nan 4.420 nan 0.000 0.269 390 P C 0.865 178.176 177.300 0.018 0.000 1.215 390 P CA 0.171 63.283 63.100 0.021 0.000 0.780 390 P CB 0.400 32.115 31.700 0.025 0.000 0.898 391 M N -1.388 118.222 119.600 0.017 0.000 2.175 391 M HA -0.170 4.310 4.480 -0.001 0.000 0.192 391 M C 0.032 176.337 176.300 0.009 0.000 0.473 391 M CA 0.418 55.727 55.300 0.016 0.000 0.414 391 M CB -2.499 30.115 32.600 0.022 0.000 1.069 391 M HN 0.510 nan 8.290 nan 0.000 0.933 392 C N 1.455 120.758 119.300 0.005 0.000 2.289 392 C HA 0.435 4.894 4.460 -0.001 0.000 0.340 392 C C 1.257 176.243 174.990 -0.006 0.000 1.152 392 C CA -0.594 58.421 59.018 -0.004 0.000 1.650 392 C CB -0.326 27.412 27.740 -0.004 0.000 2.203 392 C HN 0.628 nan 8.230 nan 0.000 0.511 393 M N 5.758 125.351 119.600 -0.011 0.000 2.274 393 M HA 0.412 4.892 4.480 -0.001 0.000 0.206 393 M C 1.390 177.680 176.300 -0.017 0.000 1.189 393 M CA 0.764 56.057 55.300 -0.012 0.000 1.794 393 M CB -0.439 32.153 32.600 -0.013 0.000 1.068 393 M HN 0.704 nan 8.290 nan 0.000 0.867 394 M N 0.687 120.274 119.600 -0.021 0.000 7.319 394 M HA -0.275 4.205 4.480 -0.001 0.000 0.130 394 M C 0.375 176.662 176.300 -0.022 0.000 0.480 394 M CA 1.900 57.185 55.300 -0.025 0.000 1.311 394 M CB -1.864 30.717 32.600 -0.032 0.000 0.421 394 M HN 0.850 nan 8.290 nan 0.000 0.168 395 D N -0.102 120.284 120.400 -0.024 0.000 2.402 395 D HA 0.151 4.791 4.640 -0.001 0.000 0.216 395 D C 0.596 176.883 176.300 -0.023 0.000 1.128 395 D CA 0.394 54.381 54.000 -0.021 0.000 0.833 395 D CB -0.610 40.177 40.800 -0.022 0.000 0.971 395 D HN 0.823 nan 8.370 nan 0.000 0.503 396 N N 1.048 119.732 118.700 -0.026 0.000 2.693 396 N HA -0.347 4.393 4.740 -0.001 0.000 0.249 396 N C -0.366 175.125 175.510 -0.033 0.000 1.119 396 N CA 0.786 53.820 53.050 -0.026 0.000 0.717 396 N CB -0.601 37.877 38.487 -0.015 0.000 1.071 396 N HN 0.300 nan 8.380 nan 0.000 0.555 397 Q N -3.001 116.773 119.800 -0.042 0.000 2.493 397 Q HA -0.217 4.122 4.340 -0.001 0.000 0.260 397 Q C 0.779 176.755 176.000 -0.040 0.000 0.905 397 Q CA 1.484 57.255 55.803 -0.053 0.000 1.140 397 Q CB -1.421 27.270 28.738 -0.078 0.000 1.435 397 Q HN 0.887 nan 8.270 nan 0.000 0.581 398 G N -1.496 107.287 108.800 -0.027 0.000 2.594 398 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.297 398 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.297 398 G C 0.514 175.406 174.900 -0.014 0.000 1.273 398 G CA 0.069 45.157 45.100 -0.019 0.000 0.974 398 G HN 0.942 nan 8.290 nan 0.000 0.552 399 G N 0.544 109.336 108.800 -0.013 0.000 3.181 399 G HA2 0.604 4.563 3.960 -0.001 0.000 0.219 399 G HA3 0.604 4.563 3.960 -0.001 0.000 0.219 399 G C 0.841 175.734 174.900 -0.011 0.000 1.182 399 G CA 1.239 46.333 45.100 -0.011 0.000 0.791 399 G HN 1.865 nan 8.290 nan 0.000 0.537 400 A N 1.164 123.976 122.820 -0.013 0.000 2.540 400 A HA 0.454 4.774 4.320 -0.001 0.000 0.239 400 A C -1.775 175.816 177.584 0.013 0.000 1.061 400 A CA -0.707 51.323 52.037 -0.012 0.000 0.758 400 A CB -0.005 18.970 19.000 -0.042 0.000 0.991 400 A HN 0.203 nan 8.150 nan 0.000 0.502 401 P HA -0.036 nan 4.420 nan 0.000 0.261 401 P C 0.311 177.687 177.300 0.127 0.000 1.173 401 P CA 0.595 63.712 63.100 0.029 0.000 0.760 401 P CB 0.206 31.881 31.700 -0.041 0.000 0.783 402 N N 1.928 120.756 118.700 0.213 0.000 2.214 402 N HA 0.012 4.752 4.740 -0.001 0.000 0.214 402 N C -0.508 175.219 175.510 0.362 0.000 1.132 402 N CA -0.550 52.687 53.050 0.311 0.000 0.856 402 N CB 0.020 38.636 38.487 0.215 0.000 1.020 402 N HN 0.370 nan 8.380 nan 0.000 0.509 403 Y N -1.912 118.458 120.300 0.117 0.000 2.499 403 Y HA 0.656 5.205 4.550 -0.001 0.000 0.347 403 Y C -1.622 174.081 175.900 -0.328 0.000 0.987 403 Y CA -1.924 56.129 58.100 -0.079 0.000 1.044 403 Y CB 0.701 39.145 38.460 -0.027 0.000 1.245 403 Y HN -0.061 nan 8.280 nan 0.000 0.461 404 Y N 4.247 124.175 120.300 -0.620 0.000 2.406 404 Y HA 0.707 5.256 4.550 -0.000 0.000 0.340 404 Y C -2.634 173.114 175.900 -0.253 0.000 0.975 404 Y CA -2.879 54.792 58.100 -0.715 0.000 1.056 404 Y CB 1.736 39.529 38.460 -1.113 0.000 1.210 404 Y HN 0.752 nan 8.280 nan 0.000 0.448 405 P HA 0.389 nan 4.420 nan 0.000 0.279 405 P C -1.810 175.324 177.300 -0.277 0.000 1.252 405 P CA -0.486 62.180 63.100 -0.724 0.000 0.811 405 P CB 1.686 32.978 31.700 -0.679 0.000 1.035 406 N N -2.063 116.488 118.700 -0.248 0.000 2.416 406 N HA 0.340 5.080 4.740 -0.001 0.000 0.276 406 N C -0.670 174.822 175.510 -0.031 0.000 1.261 406 N CA -0.906 52.079 53.050 -0.108 0.000 0.790 406 N CB 1.014 39.222 38.487 -0.465 0.000 1.554 406 N HN 0.048 nan 8.380 nan 0.000 0.481 407 S N 0.073 115.765 115.700 -0.013 0.000 2.602 407 S HA 0.291 4.761 4.470 -0.001 0.000 0.246 407 S C -0.762 173.480 174.600 -0.598 0.000 1.009 407 S CA -0.423 57.605 58.200 -0.286 0.000 1.052 407 S CB -0.935 62.045 63.200 -0.366 0.000 0.778 407 S HN 0.525 nan 8.310 nan 0.000 0.455 408 F N 0.898 120.844 119.950 -0.007 0.000 2.805 408 F HA 0.267 4.794 4.527 -0.001 0.000 0.317 408 F C 0.918 176.722 175.800 0.007 0.000 1.146 408 F CA -0.549 57.455 58.000 0.007 0.000 1.265 408 F CB -0.066 38.945 39.000 0.018 0.000 0.992 408 F HN 0.037 nan 8.300 nan 0.000 0.511 409 S N 0.444 116.198 115.700 0.090 0.000 3.698 409 S HA -0.173 4.297 4.470 -0.001 0.000 0.338 409 S C 0.562 175.218 174.600 0.094 0.000 1.089 409 S CA 0.238 58.484 58.200 0.076 0.000 0.991 409 S CB -1.726 61.508 63.200 0.057 0.000 0.909 409 S HN 0.567 nan 8.310 nan 0.000 0.485 410 A N 1.112 124.015 122.820 0.139 0.000 2.272 410 A HA 0.671 4.991 4.320 -0.001 0.000 0.275 410 A C -2.044 175.617 177.584 0.130 0.000 1.096 410 A CA -1.618 50.500 52.037 0.136 0.000 0.822 410 A CB -0.252 18.913 19.000 0.275 0.000 1.088 410 A HN 0.206 nan 8.150 nan 0.000 0.495 411 P HA 0.025 nan 4.420 nan 0.000 0.259 411 P C -0.421 176.861 177.300 -0.030 0.000 1.163 411 P CA 0.757 63.798 63.100 -0.098 0.000 0.760 411 P CB 0.275 31.780 31.700 -0.324 0.000 0.762 412 E N 2.231 122.432 120.200 0.002 0.000 2.227 412 E HA 0.186 4.536 4.350 -0.001 0.000 0.268 412 E C 0.227 176.843 176.600 0.027 0.000 0.990 412 E CA -0.540 55.885 56.400 0.042 0.000 0.856 412 E CB 0.969 30.731 29.700 0.103 0.000 1.159 412 E HN 0.616 nan 8.360 nan 0.000 0.401 413 H N -0.484 118.643 119.070 0.094 0.000 2.502 413 H HA 0.268 4.824 4.556 -0.001 0.000 0.327 413 H C -0.212 175.146 175.328 0.050 0.000 1.099 413 H CA -0.735 55.340 56.048 0.045 0.000 1.323 413 H CB 1.348 31.155 29.762 0.075 0.000 1.450 413 H HN 0.244 nan 8.280 nan 0.000 0.502 414 Q N 4.997 124.893 119.800 0.160 0.000 2.377 414 Q HA 0.118 4.458 4.340 -0.001 0.000 0.249 414 Q C -1.700 174.310 176.000 0.017 0.000 1.005 414 Q CA -2.239 53.611 55.803 0.079 0.000 0.912 414 Q CB 1.223 29.986 28.738 0.041 0.000 1.223 414 Q HN 0.612 nan 8.270 nan 0.000 0.459 415 P HA -0.170 nan 4.420 nan 0.000 0.219 415 P C 0.824 178.106 177.300 -0.030 0.000 1.146 415 P CA 1.169 64.234 63.100 -0.058 0.000 0.808 415 P CB 0.254 31.927 31.700 -0.044 0.000 0.779 416 S N 0.655 116.350 115.700 -0.010 0.000 2.440 416 S HA -0.073 4.397 4.470 -0.001 0.000 0.238 416 S C 1.940 176.535 174.600 -0.009 0.000 1.010 416 S CA 1.142 59.338 58.200 -0.006 0.000 0.972 416 S CB -0.947 62.251 63.200 -0.002 0.000 0.774 416 S HN 0.265 nan 8.310 nan 0.000 0.501 417 A N 0.683 123.495 122.820 -0.014 0.000 2.476 417 A HA 0.514 4.833 4.320 -0.001 0.000 0.263 417 A C 0.409 177.985 177.584 -0.013 0.000 1.342 417 A CA -0.388 51.639 52.037 -0.016 0.000 0.926 417 A CB -0.421 18.568 19.000 -0.019 0.000 1.019 417 A HN 0.421 nan 8.150 nan 0.000 0.515 418 L N 0.822 122.038 121.223 -0.012 0.000 2.417 418 L HA 0.199 4.539 4.340 -0.001 0.000 0.268 418 L C 0.276 177.158 176.870 0.020 0.000 1.158 418 L CA -0.609 54.225 54.840 -0.009 0.000 0.819 418 L CB 0.693 42.739 42.059 -0.022 0.000 1.112 418 L HN 0.358 nan 8.230 nan 0.000 0.458 419 E N 1.387 121.604 120.200 0.028 0.000 2.438 419 E HA -0.044 4.305 4.350 -0.001 0.000 0.261 419 E C -0.194 176.464 176.600 0.096 0.000 1.103 419 E CA 0.145 56.585 56.400 0.066 0.000 0.959 419 E CB 0.150 29.885 29.700 0.058 0.000 0.958 419 E HN 0.328 nan 8.360 nan 0.000 0.447 420 H N 2.476 121.581 119.070 0.059 0.000 2.690 420 H HA 0.127 4.683 4.556 -0.001 0.000 0.314 420 H C -0.192 175.195 175.328 0.098 0.000 1.069 420 H CA -0.487 55.602 56.048 0.069 0.000 1.436 420 H CB 0.537 30.351 29.762 0.087 0.000 1.462 420 H HN 0.339 nan 8.280 nan 0.000 0.511 421 R N 4.041 124.223 120.500 -0.530 0.000 2.449 421 R HA 0.105 4.445 4.340 -0.001 0.000 0.296 421 R C -0.846 175.233 176.300 -0.367 0.000 1.047 421 R CA 0.278 56.171 56.100 -0.345 0.000 1.018 421 R CB 0.278 30.442 30.300 -0.226 0.000 0.962 421 R HN 0.698 nan 8.270 nan 0.000 0.428 422 T N 2.641 117.185 114.554 -0.017 0.000 2.900 422 T HA 0.191 4.541 4.350 -0.001 0.000 0.303 422 T C -1.223 173.522 174.700 0.074 0.000 1.142 422 T CA -0.772 61.379 62.100 0.086 0.000 1.007 422 T CB 1.503 70.517 68.868 0.244 0.000 1.156 422 T HN 0.659 nan 8.240 nan 0.000 0.490 423 H N 0.306 119.274 119.070 -0.169 0.000 2.472 423 H HA 0.703 5.259 4.556 -0.001 0.000 0.335 423 H C -1.527 173.510 175.328 -0.486 0.000 1.136 423 H CA -0.545 55.414 56.048 -0.148 0.000 1.264 423 H CB 0.590 30.299 29.762 -0.088 0.000 1.486 423 H HN 0.497 nan 8.280 nan 0.000 0.517 424 F N 1.537 121.239 119.950 -0.413 0.000 2.596 424 F HA 0.360 4.887 4.527 -0.001 0.000 0.311 424 F C -0.624 175.044 175.800 -0.220 0.000 1.116 424 F CA -0.667 57.233 58.000 -0.166 0.000 0.957 424 F CB 2.297 41.228 39.000 -0.115 0.000 1.250 424 F HN 0.480 nan 8.300 nan 0.000 0.444 425 S N 2.085 117.875 115.700 0.150 0.000 2.575 425 S HA 0.922 5.391 4.470 -0.001 0.000 0.278 425 S C -0.708 173.962 174.600 0.118 0.000 1.139 425 S CA 0.112 58.390 58.200 0.130 0.000 0.954 425 S CB 1.591 64.909 63.200 0.197 0.000 1.054 425 S HN 1.505 nan 8.310 nan 0.000 0.483 426 G N 3.013 111.877 108.800 0.106 0.000 2.350 426 G HA2 0.292 4.252 3.960 -0.001 0.000 0.305 426 G HA3 0.292 4.252 3.960 -0.001 0.000 0.305 426 G C -2.112 172.879 174.900 0.153 0.000 1.479 426 G CA -0.928 44.238 45.100 0.111 0.000 0.949 426 G HN 0.639 nan 8.290 nan 0.000 0.651 427 D N -0.198 120.334 120.400 0.220 0.000 2.382 427 D HA 0.377 5.017 4.640 -0.001 0.000 0.240 427 D C 1.099 177.550 176.300 0.250 0.000 1.146 427 D CA 0.125 54.251 54.000 0.211 0.000 0.897 427 D CB 1.624 42.544 40.800 0.201 0.000 1.197 427 D HN 0.847 nan 8.370 nan 0.000 0.432 428 V N -0.353 119.625 119.914 0.107 0.000 2.389 428 V HA 0.462 4.581 4.120 -0.001 0.000 0.264 428 V C -0.014 176.034 176.094 -0.076 0.000 1.049 428 V CA -0.241 62.090 62.300 0.053 0.000 0.932 428 V CB -0.042 31.787 31.823 0.009 0.000 1.011 428 V HN 0.417 nan 8.190 nan 0.000 0.475 429 Q N 3.142 122.806 119.800 -0.227 0.000 2.737 429 Q HA 0.533 4.873 4.340 -0.001 0.000 0.307 429 Q C -1.017 174.643 176.000 -0.567 0.000 0.905 429 Q CA -1.060 54.428 55.803 -0.524 0.000 0.753 429 Q CB 2.511 30.709 28.738 -0.900 0.000 1.463 429 Q HN 0.783 nan 8.270 nan 0.000 0.455 430 R N 1.303 121.519 120.500 -0.473 0.000 2.755 430 R HA 0.302 4.641 4.340 -0.001 0.000 0.268 430 R C -0.971 175.171 176.300 -0.263 0.000 1.295 430 R CA -0.233 55.712 56.100 -0.259 0.000 1.379 430 R CB -0.272 29.946 30.300 -0.136 0.000 1.170 430 R HN 0.237 nan 8.270 nan 0.000 0.584 431 F N 1.280 121.239 119.950 0.015 0.000 2.538 431 F HA 0.002 4.528 4.527 -0.001 0.000 0.371 431 F C 1.335 177.153 175.800 0.030 0.000 1.087 431 F CA -0.373 57.642 58.000 0.025 0.000 1.250 431 F CB 0.117 39.136 39.000 0.032 0.000 1.110 431 F HN 0.287 nan 8.300 nan 0.000 0.570 432 N N 1.458 120.274 118.700 0.194 0.000 2.431 432 N HA 0.022 4.762 4.740 -0.001 0.000 0.265 432 N C 0.254 175.840 175.510 0.127 0.000 1.184 432 N CA 0.102 53.227 53.050 0.126 0.000 0.943 432 N CB 0.640 39.183 38.487 0.093 0.000 1.080 432 N HN 0.575 nan 8.380 nan 0.000 0.477 433 S N 1.453 117.217 115.700 0.107 0.000 2.559 433 S HA 0.221 4.691 4.470 -0.001 0.000 0.226 433 S C 1.565 176.212 174.600 0.078 0.000 1.000 433 S CA -0.073 58.186 58.200 0.099 0.000 0.948 433 S CB 0.431 63.693 63.200 0.103 0.000 0.870 433 S HN 0.518 nan 8.310 nan 0.000 0.497 434 A N 3.131 125.990 122.820 0.065 0.000 1.933 434 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 434 A C 1.536 179.143 177.584 0.039 0.000 1.175 434 A CA 1.186 53.250 52.037 0.044 0.000 0.628 434 A CB -0.639 18.381 19.000 0.034 0.000 0.814 434 A HN 0.649 nan 8.150 nan 0.000 0.444 435 N N 0.353 119.082 118.700 0.049 0.000 2.376 435 N HA 0.098 4.838 4.740 -0.001 0.000 0.249 435 N C -1.062 174.485 175.510 0.062 0.000 1.140 435 N CA -0.201 52.877 53.050 0.046 0.000 0.870 435 N CB 0.281 38.793 38.487 0.043 0.000 1.124 435 N HN 0.205 nan 8.380 nan 0.000 0.505 436 D N 1.707 122.152 120.400 0.074 0.000 2.994 436 D HA 0.006 4.646 4.640 -0.001 0.000 0.240 436 D C -0.419 175.956 176.300 0.124 0.000 1.195 436 D CA 0.289 54.351 54.000 0.103 0.000 0.957 436 D CB -0.471 40.397 40.800 0.114 0.000 1.105 436 D HN 0.183 nan 8.370 nan 0.000 0.477 437 D N 1.715 122.180 120.400 0.108 0.000 5.070 437 D HA -0.179 4.460 4.640 -0.001 0.000 0.239 437 D C -0.551 175.781 176.300 0.054 0.000 1.194 437 D CA 0.384 54.455 54.000 0.118 0.000 1.284 437 D CB -0.175 40.783 40.800 0.264 0.000 0.729 437 D HN 0.309 nan 8.370 nan 0.000 0.365 438 N N 2.768 121.476 118.700 0.013 0.000 2.291 438 N HA 0.127 4.867 4.740 -0.001 0.000 0.244 438 N C 1.163 176.635 175.510 -0.064 0.000 1.216 438 N CA 0.483 53.512 53.050 -0.034 0.000 0.879 438 N CB 1.025 39.490 38.487 -0.036 0.000 1.167 438 N HN 0.345 nan 8.380 nan 0.000 0.515 439 V N -3.604 116.283 119.914 -0.047 0.000 3.279 439 V HA 0.116 4.236 4.120 -0.001 0.000 0.213 439 V C 1.994 178.053 176.094 -0.058 0.000 1.335 439 V CA 0.383 62.656 62.300 -0.045 0.000 1.317 439 V CB -0.649 31.178 31.823 0.006 0.000 1.209 439 V HN -0.071 nan 8.190 nan 0.000 0.525 440 T N 0.726 115.282 114.554 0.004 0.000 2.616 440 T HA -0.371 3.979 4.350 -0.001 0.000 0.261 440 T C 1.939 176.614 174.700 -0.041 0.000 1.105 440 T CA 2.920 65.042 62.100 0.038 0.000 1.159 440 T CB -0.588 68.384 68.868 0.173 0.000 0.856 440 T HN 0.517 nan 8.240 nan 0.000 0.449 441 Q N 0.079 119.769 119.800 -0.183 0.000 2.226 441 Q HA -0.077 4.263 4.340 -0.001 0.000 0.204 441 Q C 2.589 178.343 176.000 -0.410 0.000 0.975 441 Q CA 1.086 56.715 55.803 -0.290 0.000 0.866 441 Q CB -0.302 28.182 28.738 -0.424 0.000 0.915 441 Q HN 0.518 nan 8.270 nan 0.000 0.440 442 V N 0.111 119.752 119.914 -0.455 0.000 2.379 442 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 442 V C 2.369 178.499 176.094 0.061 0.000 1.044 442 V CA 1.804 63.943 62.300 -0.268 0.000 1.036 442 V CB -0.681 31.049 31.823 -0.156 0.000 0.664 442 V HN 0.273 nan 8.190 nan 0.000 0.453 443 R N 1.307 121.827 120.500 0.032 0.000 2.080 443 R HA -0.220 4.120 4.340 -0.001 0.000 0.236 443 R C 2.425 178.779 176.300 0.089 0.000 1.137 443 R CA 2.350 58.494 56.100 0.074 0.000 0.943 443 R CB -0.843 29.489 30.300 0.053 0.000 0.846 443 R HN 0.601 nan 8.270 nan 0.000 0.431 444 T N -1.563 113.038 114.554 0.078 0.000 3.139 444 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 444 T C 1.277 176.064 174.700 0.145 0.000 1.164 444 T CA 0.928 63.079 62.100 0.084 0.000 1.075 444 T CB -0.347 68.573 68.868 0.087 0.000 0.904 444 T HN 0.393 nan 8.240 nan 0.000 0.540 445 F N -0.155 119.833 119.950 0.063 0.000 2.274 445 F HA 0.212 4.738 4.527 -0.001 0.000 0.288 445 F C 1.864 177.714 175.800 0.083 0.000 1.069 445 F CA -0.260 57.811 58.000 0.119 0.000 1.343 445 F CB -0.517 38.637 39.000 0.257 0.000 1.089 445 F HN 0.130 nan 8.300 nan 0.000 0.517 446 Y N 2.133 122.384 120.300 -0.081 0.000 2.034 446 Y HA -0.121 4.429 4.550 -0.001 0.000 0.269 446 Y C 0.675 176.401 175.900 -0.289 0.000 1.125 446 Y CA 1.998 59.940 58.100 -0.263 0.000 1.097 446 Y CB -1.008 37.278 38.460 -0.290 0.000 0.978 446 Y HN 0.025 nan 8.280 nan 0.000 0.480 447 L N 0.444 121.547 121.223 -0.199 0.000 2.422 447 L HA 0.450 4.789 4.340 -0.001 0.000 0.256 447 L C 0.223 176.985 176.870 -0.179 0.000 1.202 447 L CA 0.215 54.884 54.840 -0.285 0.000 1.119 447 L CB 0.583 42.486 42.059 -0.261 0.000 1.383 447 L HN 0.214 nan 8.230 nan 0.000 0.411 448 K N 0.340 120.616 120.400 -0.206 0.000 2.442 448 K HA 0.049 4.369 4.320 -0.001 0.000 0.207 448 K C 1.066 177.567 176.600 -0.165 0.000 2.678 448 K CA 0.756 56.961 56.287 -0.136 0.000 1.378 448 K CB -0.524 31.941 32.500 -0.059 0.000 2.933 448 K HN 0.036 nan 8.250 nan 0.000 0.377 449 V N 1.920 121.688 119.914 -0.243 0.000 2.649 449 V HA 0.212 4.332 4.120 -0.001 0.000 0.248 449 V C 0.826 176.680 176.094 -0.400 0.000 1.054 449 V CA 0.787 62.916 62.300 -0.285 0.000 1.073 449 V CB -0.067 31.578 31.823 -0.297 0.000 0.699 449 V HN 0.175 nan 8.190 nan 0.000 0.463 450 L N 2.410 123.307 121.223 -0.543 0.000 2.276 450 L HA 0.331 4.671 4.340 -0.001 0.000 0.286 450 L C -0.112 176.572 176.870 -0.310 0.000 1.061 450 L CA -0.372 54.200 54.840 -0.446 0.000 0.807 450 L CB 1.277 43.022 42.059 -0.523 0.000 1.177 450 L HN 0.456 nan 8.230 nan 0.000 0.429 451 N N 1.342 119.913 118.700 -0.214 0.000 2.529 451 N HA -0.029 4.710 4.740 -0.001 0.000 0.278 451 N C 0.597 176.005 175.510 -0.170 0.000 1.146 451 N CA -0.504 52.445 53.050 -0.169 0.000 0.980 451 N CB 0.807 39.226 38.487 -0.113 0.000 1.124 451 N HN 0.514 nan 8.380 nan 0.000 0.458 452 E N 0.550 120.650 120.200 -0.166 0.000 2.279 452 E HA -0.330 4.019 4.350 -0.001 0.000 0.205 452 E C 1.109 177.652 176.600 -0.095 0.000 1.028 452 E CA 1.478 57.790 56.400 -0.147 0.000 0.830 452 E CB -0.095 29.540 29.700 -0.108 0.000 0.736 452 E HN 0.665 nan 8.360 nan 0.000 0.478 453 E N 0.316 120.470 120.200 -0.077 0.000 2.017 453 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 453 E C 2.000 178.580 176.600 -0.032 0.000 0.997 453 E CA 1.893 58.266 56.400 -0.045 0.000 0.804 453 E CB -0.311 29.364 29.700 -0.041 0.000 0.757 453 E HN 0.735 nan 8.360 nan 0.000 0.448 454 Q N -0.287 119.486 119.800 -0.045 0.000 2.424 454 Q HA 0.020 4.360 4.340 -0.001 0.000 0.204 454 Q C 2.053 178.045 176.000 -0.014 0.000 0.933 454 Q CA 0.284 56.077 55.803 -0.016 0.000 0.929 454 Q CB -0.145 28.581 28.738 -0.020 0.000 1.037 454 Q HN 0.057 nan 8.270 nan 0.000 0.511 455 R N 1.148 121.597 120.500 -0.085 0.000 2.120 455 R HA -0.076 4.264 4.340 -0.001 0.000 0.234 455 R C 2.182 178.501 176.300 0.032 0.000 1.123 455 R CA 1.265 57.292 56.100 -0.122 0.000 0.975 455 R CB 0.098 30.189 30.300 -0.347 0.000 0.866 455 R HN 0.167 nan 8.270 nan 0.000 0.446 456 K N 0.431 120.848 120.400 0.028 0.000 2.098 456 K HA -0.120 4.199 4.320 -0.001 0.000 0.203 456 K C 2.000 178.661 176.600 0.102 0.000 1.051 456 K CA 0.759 57.093 56.287 0.077 0.000 0.957 456 K CB -0.014 32.511 32.500 0.043 0.000 0.738 456 K HN -0.022 nan 8.250 nan 0.000 0.447 457 R N 1.247 121.798 120.500 0.086 0.000 2.112 457 R HA -0.178 4.161 4.340 -0.001 0.000 0.242 457 R C 2.544 178.940 176.300 0.160 0.000 1.137 457 R CA 1.875 58.039 56.100 0.107 0.000 0.944 457 R CB -0.616 29.738 30.300 0.090 0.000 0.857 457 R HN 0.279 nan 8.270 nan 0.000 0.435 458 L N -0.190 121.148 121.223 0.191 0.000 1.990 458 L HA -0.255 4.085 4.340 -0.001 0.000 0.213 458 L C 2.158 179.173 176.870 0.242 0.000 1.072 458 L CA 2.086 57.090 54.840 0.274 0.000 0.755 458 L CB -0.705 41.553 42.059 0.331 0.000 0.889 458 L HN 0.320 nan 8.230 nan 0.000 0.432 459 C N 0.332 119.762 119.300 0.216 0.000 2.400 459 C HA -0.126 4.334 4.460 -0.001 0.000 0.291 459 C C 2.494 177.522 174.990 0.064 0.000 1.372 459 C CA 1.273 60.367 59.018 0.126 0.000 1.800 459 C CB -1.240 26.596 27.740 0.160 0.000 1.869 459 C HN 0.661 nan 8.230 nan 0.000 0.533 460 E N 0.254 120.528 120.200 0.122 0.000 2.057 460 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 460 E C 1.722 178.428 176.600 0.178 0.000 0.969 460 E CA 0.787 57.272 56.400 0.141 0.000 0.812 460 E CB -0.348 29.438 29.700 0.142 0.000 0.777 460 E HN 0.689 nan 8.360 nan 0.000 0.455 461 N N 1.294 120.137 118.700 0.238 0.000 2.091 461 N HA -0.199 4.541 4.740 -0.001 0.000 0.193 461 N C 1.944 177.701 175.510 0.412 0.000 1.021 461 N CA 1.187 54.460 53.050 0.371 0.000 0.862 461 N CB -0.149 38.632 38.487 0.490 0.000 1.018 461 N HN 0.074 nan 8.380 nan 0.000 0.429 462 I N 0.964 121.617 120.570 0.139 0.000 2.113 462 I HA -0.266 3.904 4.170 -0.001 0.000 0.238 462 I C 2.505 178.501 176.117 -0.202 0.000 1.070 462 I CA 1.038 62.167 61.300 -0.286 0.000 1.332 462 I CB -0.432 37.248 38.000 -0.533 0.000 1.044 462 I HN 0.174 nan 8.210 nan 0.000 0.402 463 A N 0.808 123.508 122.820 -0.200 0.000 1.948 463 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 463 A C 2.355 179.763 177.584 -0.293 0.000 1.177 463 A CA 2.031 53.932 52.037 -0.227 0.000 0.636 463 A CB -1.528 17.434 19.000 -0.063 0.000 0.815 463 A HN 0.536 nan 8.150 nan 0.000 0.449 464 G N -2.451 106.279 108.800 -0.117 0.000 2.470 464 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.220 464 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.220 464 G C 1.485 176.363 174.900 -0.038 0.000 1.121 464 G CA 1.181 46.172 45.100 -0.181 0.000 0.766 464 G HN 0.769 nan 8.290 nan 0.000 0.553 465 H N -0.797 118.288 119.070 0.026 0.000 2.545 465 H HA 0.264 4.819 4.556 -0.001 0.000 0.283 465 H C 2.241 177.633 175.328 0.107 0.000 0.997 465 H CA -0.174 56.007 56.048 0.221 0.000 1.269 465 H CB 0.368 30.497 29.762 0.612 0.000 1.451 465 H HN 0.247 nan 8.280 nan 0.000 0.508 466 L N 2.042 123.104 121.223 -0.269 0.000 2.201 466 L HA -0.158 4.181 4.340 -0.001 0.000 0.212 466 L C 2.438 178.985 176.870 -0.538 0.000 1.105 466 L CA 1.217 55.542 54.840 -0.858 0.000 0.775 466 L CB -0.133 41.295 42.059 -1.051 0.000 0.913 466 L HN 0.317 nan 8.230 nan 0.000 0.440 467 K N -1.383 118.766 120.400 -0.418 0.000 2.152 467 K HA -0.193 4.126 4.320 -0.001 0.000 0.206 467 K C 1.258 177.710 176.600 -0.247 0.000 1.048 467 K CA 1.670 57.744 56.287 -0.354 0.000 0.933 467 K CB -0.413 31.767 32.500 -0.535 0.000 0.721 467 K HN 0.265 nan 8.250 nan 0.000 0.447 468 D N 1.356 121.620 120.400 -0.227 0.000 2.348 468 D HA 0.019 4.659 4.640 -0.001 0.000 0.216 468 D C 0.648 176.880 176.300 -0.114 0.000 0.970 468 D CA 0.761 54.675 54.000 -0.144 0.000 0.889 468 D CB 0.056 40.777 40.800 -0.132 0.000 0.912 468 D HN 0.428 nan 8.370 nan 0.000 0.524 469 A N 0.568 123.297 122.820 -0.151 0.000 2.287 469 A HA 0.208 4.527 4.320 -0.001 0.000 0.273 469 A C 0.788 178.287 177.584 -0.141 0.000 1.091 469 A CA -0.447 51.520 52.037 -0.116 0.000 0.817 469 A CB 0.810 19.735 19.000 -0.126 0.000 1.069 469 A HN -0.032 nan 8.150 nan 0.000 0.492 470 Q N -0.762 118.954 119.800 -0.140 0.000 2.967 470 Q HA 0.061 4.400 4.340 -0.001 0.000 0.201 470 Q C 0.947 176.848 176.000 -0.165 0.000 1.148 470 Q CA -0.096 55.651 55.803 -0.093 0.000 1.177 470 Q CB 0.137 28.891 28.738 0.026 0.000 1.323 470 Q HN 0.719 nan 8.270 nan 0.000 0.676 471 L N -0.123 121.080 121.223 -0.034 0.000 2.071 471 L HA -0.129 4.210 4.340 -0.001 0.000 0.201 471 L C 2.387 179.223 176.870 -0.056 0.000 1.076 471 L CA 1.045 55.866 54.840 -0.032 0.000 0.755 471 L CB -0.576 41.513 42.059 0.049 0.000 0.915 471 L HN 0.760 nan 8.230 nan 0.000 0.445 472 F N 0.128 120.074 119.950 -0.007 0.000 2.147 472 F HA -0.274 4.253 4.527 -0.001 0.000 0.301 472 F C 2.116 177.919 175.800 0.005 0.000 1.084 472 F CA 1.308 59.307 58.000 -0.000 0.000 1.268 472 F CB -1.136 37.868 39.000 0.006 0.000 1.009 472 F HN -0.049 nan 8.300 nan 0.000 0.486 473 I N 0.630 120.546 120.570 -1.090 0.000 2.113 473 I HA -0.292 3.877 4.170 -0.001 0.000 0.238 473 I C 2.747 178.675 176.117 -0.315 0.000 1.070 473 I CA 1.786 62.623 61.300 -0.772 0.000 1.332 473 I CB -0.699 36.821 38.000 -0.800 0.000 1.044 473 I HN 0.211 nan 8.210 nan 0.000 0.402 474 Q N 0.430 120.054 119.800 -0.293 0.000 2.197 474 Q HA -0.313 4.027 4.340 -0.001 0.000 0.211 474 Q C 2.160 178.080 176.000 -0.134 0.000 0.993 474 Q CA 1.853 57.521 55.803 -0.225 0.000 0.883 474 Q CB -0.208 28.404 28.738 -0.210 0.000 0.916 474 Q HN 0.477 nan 8.270 nan 0.000 0.418 475 K N 0.601 120.948 120.400 -0.089 0.000 1.985 475 K HA -0.167 4.153 4.320 -0.001 0.000 0.210 475 K C 2.073 178.657 176.600 -0.025 0.000 1.047 475 K CA 1.244 57.509 56.287 -0.037 0.000 0.932 475 K CB -0.095 32.406 32.500 0.002 0.000 0.716 475 K HN -0.064 nan 8.250 nan 0.000 0.439 476 K N 0.810 121.199 120.400 -0.019 0.000 2.059 476 K HA -0.215 4.104 4.320 -0.001 0.000 0.212 476 K C 1.988 178.563 176.600 -0.041 0.000 1.050 476 K CA 1.710 57.990 56.287 -0.011 0.000 0.927 476 K CB -0.374 32.134 32.500 0.013 0.000 0.714 476 K HN 0.237 nan 8.250 nan 0.000 0.447 477 A N 0.001 122.796 122.820 -0.041 0.000 1.873 477 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 477 A C 2.362 179.966 177.584 0.033 0.000 1.193 477 A CA 2.106 54.115 52.037 -0.048 0.000 0.629 477 A CB -1.018 17.987 19.000 0.009 0.000 0.826 477 A HN 0.156 nan 8.150 nan 0.000 0.447 478 V N 0.605 120.580 119.914 0.103 0.000 2.295 478 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 478 V C 2.650 178.774 176.094 0.051 0.000 1.049 478 V CA 2.675 65.056 62.300 0.134 0.000 1.024 478 V CB -0.615 31.207 31.823 -0.001 0.000 0.648 478 V HN 0.798 nan 8.190 nan 0.000 0.447 479 K N 0.820 121.217 120.400 -0.005 0.000 2.218 479 K HA -0.225 4.095 4.320 -0.001 0.000 0.205 479 K C 1.588 178.156 176.600 -0.052 0.000 1.046 479 K CA 2.144 58.418 56.287 -0.021 0.000 0.933 479 K CB -0.417 32.072 32.500 -0.018 0.000 0.728 479 K HN 0.489 nan 8.250 nan 0.000 0.454 480 N N -0.360 118.263 118.700 -0.128 0.000 2.148 480 N HA -0.002 4.738 4.740 -0.001 0.000 0.186 480 N C 1.446 176.813 175.510 -0.238 0.000 1.031 480 N CA 1.335 54.249 53.050 -0.228 0.000 0.848 480 N CB -0.429 37.823 38.487 -0.392 0.000 1.005 480 N HN 0.160 nan 8.380 nan 0.000 0.427 481 F N 1.340 121.160 119.950 -0.218 0.000 2.161 481 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 481 F C 2.613 178.313 175.800 -0.168 0.000 1.089 481 F CA 0.831 58.596 58.000 -0.391 0.000 1.282 481 F CB -0.765 37.774 39.000 -0.769 0.000 1.010 481 F HN -0.043 nan 8.300 nan 0.000 0.485 482 S N -0.138 115.597 115.700 0.058 0.000 2.359 482 S HA -0.235 4.234 4.470 -0.001 0.000 0.224 482 S C 1.588 176.219 174.600 0.052 0.000 1.035 482 S CA 1.783 60.006 58.200 0.038 0.000 1.018 482 S CB -0.474 62.731 63.200 0.008 0.000 0.876 482 S HN 0.345 nan 8.310 nan 0.000 0.448 483 D N 0.297 120.714 120.400 0.028 0.000 2.265 483 D HA -0.049 4.590 4.640 -0.001 0.000 0.208 483 D C 1.685 178.029 176.300 0.073 0.000 0.977 483 D CA 0.418 54.438 54.000 0.034 0.000 0.871 483 D CB -0.086 40.714 40.800 0.000 0.000 0.925 483 D HN 0.202 nan 8.370 nan 0.000 0.485 484 V N -0.999 118.987 119.914 0.120 0.000 2.446 484 V HA -0.029 4.090 4.120 -0.001 0.000 0.244 484 V C 0.775 177.009 176.094 0.232 0.000 1.039 484 V CA 0.915 63.317 62.300 0.170 0.000 1.045 484 V CB -0.069 31.929 31.823 0.291 0.000 0.681 484 V HN 0.373 nan 8.190 nan 0.000 0.459 485 H N -1.669 117.464 119.070 0.106 0.000 3.163 485 H HA 0.151 4.707 4.556 -0.000 0.000 0.322 485 H C -2.538 172.852 175.328 0.103 0.000 1.047 485 H CA -1.030 55.069 56.048 0.085 0.000 1.418 485 H CB 2.564 32.353 29.762 0.045 0.000 2.016 485 H HN -0.084 nan 8.280 nan 0.000 0.454 486 P HA -0.224 nan 4.420 nan 0.000 0.217 486 P C 1.178 178.342 177.300 -0.226 0.000 1.151 486 P CA 1.925 64.899 63.100 -0.210 0.000 0.849 486 P CB 0.198 31.787 31.700 -0.185 0.000 0.787 487 E N -2.020 117.894 120.200 -0.477 0.000 2.274 487 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 487 E C 1.851 178.535 176.600 0.140 0.000 0.996 487 E CA 0.687 57.025 56.400 -0.104 0.000 0.840 487 E CB -0.920 28.803 29.700 0.039 0.000 0.772 487 E HN 0.138 nan 8.360 nan 0.000 0.491 488 Y N 1.156 121.394 120.300 -0.104 0.000 2.109 488 Y HA 0.101 4.650 4.550 -0.001 0.000 0.285 488 Y C 2.363 178.182 175.900 -0.136 0.000 1.131 488 Y CA 1.767 59.731 58.100 -0.225 0.000 1.121 488 Y CB -0.916 37.296 38.460 -0.412 0.000 0.987 488 Y HN 0.162 nan 8.280 nan 0.000 0.495 489 G N -1.627 107.167 108.800 -0.011 0.000 2.679 489 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.212 489 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.212 489 G C 1.750 176.607 174.900 -0.073 0.000 1.137 489 G CA 0.837 45.879 45.100 -0.096 0.000 0.787 489 G HN 0.412 nan 8.290 nan 0.000 0.534 490 S N -0.255 115.427 115.700 -0.029 0.000 2.404 490 S HA 0.068 4.538 4.470 -0.001 0.000 0.223 490 S C 2.428 177.022 174.600 -0.010 0.000 1.040 490 S CA 0.133 58.321 58.200 -0.021 0.000 0.957 490 S CB 0.052 63.244 63.200 -0.014 0.000 0.826 490 S HN 0.363 nan 8.310 nan 0.000 0.491 491 R N 0.672 121.188 120.500 0.026 0.000 2.066 491 R HA 0.079 4.419 4.340 -0.001 0.000 0.232 491 R C 2.132 178.420 176.300 -0.020 0.000 1.131 491 R CA 1.189 57.312 56.100 0.038 0.000 0.955 491 R CB -0.430 29.942 30.300 0.119 0.000 0.851 491 R HN 0.328 nan 8.270 nan 0.000 0.432 492 I N 0.716 121.227 120.570 -0.098 0.000 2.099 492 I HA -0.325 3.844 4.170 -0.001 0.000 0.239 492 I C 2.607 178.634 176.117 -0.149 0.000 1.066 492 I CA 1.390 62.565 61.300 -0.208 0.000 1.324 492 I CB -0.156 37.538 38.000 -0.511 0.000 1.037 492 I HN 0.116 nan 8.210 nan 0.000 0.401 493 Q N 1.001 120.721 119.800 -0.133 0.000 2.248 493 Q HA -0.231 4.108 4.340 -0.001 0.000 0.208 493 Q C 1.866 177.838 176.000 -0.047 0.000 0.984 493 Q CA 2.063 57.813 55.803 -0.088 0.000 0.875 493 Q CB -0.299 28.400 28.738 -0.065 0.000 0.910 493 Q HN 0.560 nan 8.270 nan 0.000 0.433 494 A N 0.268 123.067 122.820 -0.035 0.000 1.828 494 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 494 A C 1.960 179.546 177.584 0.002 0.000 1.203 494 A CA 1.541 53.569 52.037 -0.014 0.000 0.614 494 A CB -0.977 18.018 19.000 -0.008 0.000 0.844 494 A HN 0.435 nan 8.150 nan 0.000 0.445 495 L N -0.345 120.889 121.223 0.019 0.000 2.021 495 L HA -0.271 4.068 4.340 -0.001 0.000 0.215 495 L C 2.692 179.686 176.870 0.207 0.000 1.074 495 L CA 1.813 56.704 54.840 0.086 0.000 0.760 495 L CB -1.497 40.650 42.059 0.146 0.000 0.889 495 L HN 0.416 nan 8.230 nan 0.000 0.433 496 L N -0.405 120.888 121.223 0.115 0.000 2.012 496 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 496 L C 2.391 179.311 176.870 0.082 0.000 1.073 496 L CA 1.363 56.251 54.840 0.080 0.000 0.748 496 L CB -0.749 41.271 42.059 -0.065 0.000 0.891 496 L HN 0.252 nan 8.230 nan 0.000 0.431 497 D N 0.056 120.474 120.400 0.031 0.000 2.182 497 D HA -0.201 4.438 4.640 -0.001 0.000 0.201 497 D C 2.169 178.483 176.300 0.023 0.000 0.986 497 D CA 1.149 55.159 54.000 0.016 0.000 0.847 497 D CB -0.100 40.699 40.800 -0.002 0.000 0.942 497 D HN 0.313 nan 8.370 nan 0.000 0.467 498 K N 0.199 120.609 120.400 0.018 0.000 2.007 498 K HA -0.160 4.159 4.320 -0.001 0.000 0.206 498 K C 1.979 178.575 176.600 -0.006 0.000 1.047 498 K CA 0.821 57.091 56.287 -0.030 0.000 0.937 498 K CB -0.835 31.603 32.500 -0.103 0.000 0.718 498 K HN 0.126 nan 8.250 nan 0.000 0.438 499 Y N 1.863 122.147 120.300 -0.026 0.000 2.298 499 Y HA -0.181 4.369 4.550 0.000 0.000 0.287 499 Y C 2.084 177.969 175.900 -0.024 0.000 1.164 499 Y CA 1.924 60.010 58.100 -0.023 0.000 1.229 499 Y CB -0.561 37.880 38.460 -0.032 0.000 0.977 499 Y HN 0.346 nan 8.280 nan 0.000 0.538 500 N N -0.085 118.694 118.700 0.133 0.000 2.512 500 N HA -0.072 4.667 4.740 -0.001 0.000 0.183 500 N C -0.332 175.201 175.510 0.038 0.000 1.073 500 N CA 0.718 53.805 53.050 0.062 0.000 0.911 500 N CB 0.153 38.660 38.487 0.034 0.000 0.964 500 N HN 0.145 nan 8.380 nan 0.000 0.447 501 E N 0.000 120.218 120.200 0.029 0.000 2.725 501 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 501 E CA 0.000 56.407 56.400 0.011 0.000 0.976 501 E CB 0.000 29.709 29.700 0.015 0.000 0.812 501 E HN 0.000 nan 8.360 nan 0.000 0.440