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_C 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 0.000 175.534 175.510 0.040 0.000 1.280 3 N CA 0.000 53.075 53.050 0.042 0.000 0.885 3 N CB 0.000 38.521 38.487 0.056 0.000 1.341 4 R N -0.030 120.497 120.500 0.045 0.000 2.869 4 R HA 0.363 4.704 4.340 0.001 0.000 0.263 4 R C -1.300 175.037 176.300 0.062 0.000 1.066 4 R CA -0.946 55.179 56.100 0.043 0.000 0.960 4 R CB 0.197 30.513 30.300 0.026 0.000 1.221 4 R HN 0.554 nan 8.270 nan 0.000 0.474 5 D N 0.424 120.862 120.400 0.062 0.000 2.429 5 D HA -0.057 4.584 4.640 0.001 0.000 0.233 5 D C -1.577 174.796 176.300 0.122 0.000 1.202 5 D CA -0.989 53.064 54.000 0.088 0.000 0.879 5 D CB 0.122 40.969 40.800 0.079 0.000 1.212 5 D HN 0.209 nan 8.370 nan 0.000 0.465 6 P HA -0.131 nan 4.420 nan 0.000 0.215 6 P C 1.337 178.789 177.300 0.253 0.000 1.153 6 P CA 2.585 65.868 63.100 0.304 0.000 0.853 6 P CB -0.124 31.781 31.700 0.341 0.000 0.788 7 A N -0.653 122.276 122.820 0.181 0.000 1.908 7 A HA -0.196 4.124 4.320 0.001 0.000 0.218 7 A C 2.398 179.913 177.584 -0.115 0.000 1.181 7 A CA 2.283 54.258 52.037 -0.104 0.000 0.627 7 A CB -1.580 17.325 19.000 -0.160 0.000 0.818 7 A HN 0.138 nan 8.150 nan 0.000 0.445 8 S N -0.041 115.630 115.700 -0.047 0.000 2.383 8 S HA -0.093 4.378 4.470 0.001 0.000 0.227 8 S C 0.857 175.402 174.600 -0.093 0.000 1.026 8 S CA 1.221 59.384 58.200 -0.061 0.000 0.981 8 S CB -0.292 62.892 63.200 -0.026 0.000 0.818 8 S HN 0.572 nan 8.310 nan 0.000 0.472 9 D N 1.189 121.514 120.400 -0.124 0.000 2.352 9 D HA 0.061 4.701 4.640 0.001 0.000 0.236 9 D C 1.607 177.614 176.300 -0.489 0.000 1.148 9 D CA -0.010 53.798 54.000 -0.320 0.000 0.844 9 D CB -0.150 40.409 40.800 -0.401 0.000 0.933 9 D HN 0.270 nan 8.370 nan 0.000 0.507 10 Q N 0.396 120.082 119.800 -0.190 0.000 2.014 10 Q HA -0.175 4.166 4.340 0.001 0.000 0.207 10 Q C 1.791 177.804 176.000 0.021 0.000 0.993 10 Q CA 1.253 57.031 55.803 -0.041 0.000 0.850 10 Q CB -0.006 28.707 28.738 -0.042 0.000 0.916 10 Q HN 0.335 nan 8.270 nan 0.000 0.417 11 M N 0.180 119.769 119.600 -0.018 0.000 2.175 11 M HA -0.169 4.312 4.480 0.001 0.000 0.264 11 M C 2.281 178.640 176.300 0.098 0.000 1.063 11 M CA 1.566 56.889 55.300 0.038 0.000 1.119 11 M CB -0.437 32.142 32.600 -0.036 0.000 1.377 11 M HN 0.098 nan 8.290 nan 0.000 0.415 12 K N 0.508 120.894 120.400 -0.023 0.000 2.020 12 K HA -0.209 4.112 4.320 0.001 0.000 0.212 12 K C 1.554 178.222 176.600 0.114 0.000 1.050 12 K CA 1.991 58.274 56.287 -0.007 0.000 0.929 12 K CB -0.266 32.160 32.500 -0.124 0.000 0.714 12 K HN 0.482 nan 8.250 nan 0.000 0.443 13 H N -2.182 116.977 119.070 0.148 0.000 2.389 13 H HA -0.114 4.442 4.556 0.001 0.000 0.299 13 H C 1.760 177.178 175.328 0.150 0.000 1.081 13 H CA 1.000 57.127 56.048 0.130 0.000 1.345 13 H CB -0.183 29.657 29.762 0.130 0.000 1.393 13 H HN 0.400 nan 8.280 nan 0.000 0.520 14 W N 2.746 124.134 121.300 0.147 0.000 2.333 14 W HA -0.223 4.438 4.660 0.001 0.000 0.316 14 W C 2.587 179.147 176.519 0.069 0.000 1.215 14 W CA 1.764 59.166 57.345 0.095 0.000 1.278 14 W CB 0.071 29.569 29.460 0.064 0.000 1.154 14 W HN -0.024 nan 8.180 nan 0.000 0.486 15 K N 0.508 121.213 120.400 0.508 0.000 2.283 15 K HA -0.227 4.094 4.320 0.001 0.000 0.202 15 K C 1.744 178.413 176.600 0.116 0.000 1.048 15 K CA 1.824 58.321 56.287 0.350 0.000 0.948 15 K CB -0.252 32.424 32.500 0.293 0.000 0.742 15 K HN 0.248 nan 8.250 nan 0.000 0.458 16 E N 0.917 121.183 120.200 0.110 0.000 2.015 16 E HA -0.217 4.133 4.350 0.001 0.000 0.191 16 E C 2.155 178.746 176.600 -0.015 0.000 0.991 16 E CA 1.762 58.200 56.400 0.064 0.000 0.802 16 E CB 0.027 29.797 29.700 0.118 0.000 0.759 16 E HN 0.454 nan 8.360 nan 0.000 0.447 17 Q N 0.050 119.810 119.800 -0.066 0.000 2.297 17 Q HA -0.124 4.217 4.340 0.001 0.000 0.204 17 Q C 2.079 177.957 176.000 -0.203 0.000 0.962 17 Q CA 0.808 56.534 55.803 -0.127 0.000 0.879 17 Q CB -0.040 28.610 28.738 -0.146 0.000 0.947 17 Q HN 0.044 nan 8.270 nan 0.000 0.462 18 R N 0.846 121.164 120.500 -0.305 0.000 2.153 18 R HA 0.145 4.485 4.340 0.001 0.000 0.218 18 R C 0.736 176.945 176.300 -0.150 0.000 1.072 18 R CA 0.705 56.591 56.100 -0.356 0.000 0.990 18 R CB -0.253 29.655 30.300 -0.653 0.000 0.889 18 R HN 0.354 nan 8.270 nan 0.000 0.452 19 A N 0.016 122.790 122.820 -0.078 0.000 2.482 19 A HA 0.255 4.576 4.320 0.001 0.000 0.249 19 A C 1.087 178.651 177.584 -0.032 0.000 1.114 19 A CA 0.954 52.976 52.037 -0.025 0.000 0.797 19 A CB -0.120 18.880 19.000 -0.001 0.000 1.067 19 A HN 0.559 nan 8.150 nan 0.000 0.514 20 A N -1.423 121.389 122.820 -0.014 0.000 3.201 20 A HA -0.151 4.170 4.320 0.001 0.000 0.260 20 A C 0.342 177.916 177.584 -0.016 0.000 1.222 20 A CA 1.732 53.761 52.037 -0.014 0.000 1.124 20 A CB -2.351 16.636 19.000 -0.021 0.000 1.155 20 A HN 1.025 nan 8.150 nan 0.000 0.924 21 Q N -0.918 118.873 119.800 -0.015 0.000 2.458 21 Q HA 0.564 4.905 4.340 0.001 0.000 0.282 21 Q C -0.565 175.439 176.000 0.007 0.000 1.106 21 Q CA -1.027 54.769 55.803 -0.012 0.000 0.814 21 Q CB 1.527 30.247 28.738 -0.029 0.000 1.425 21 Q HN 0.280 nan 8.270 nan 0.000 0.437 22 K N 2.525 122.932 120.400 0.011 0.000 2.156 22 K HA 0.399 4.720 4.320 0.001 0.000 0.271 22 K C -2.229 174.393 176.600 0.037 0.000 0.995 22 K CA -1.647 54.654 56.287 0.023 0.000 0.890 22 K CB 0.887 33.398 32.500 0.017 0.000 1.073 22 K HN 0.454 nan 8.250 nan 0.000 0.454 23 P HA 0.064 nan 4.420 nan 0.000 0.269 23 P C -0.578 176.758 177.300 0.059 0.000 1.215 23 P CA -0.120 63.026 63.100 0.076 0.000 0.780 23 P CB 0.577 32.324 31.700 0.077 0.000 0.898 24 D N 0.204 120.647 120.400 0.072 0.000 2.357 24 D HA 0.120 4.761 4.640 0.001 0.000 0.242 24 D C 0.083 176.406 176.300 0.038 0.000 1.153 24 D CA -0.172 53.859 54.000 0.052 0.000 0.918 24 D CB 0.829 41.666 40.800 0.062 0.000 1.181 24 D HN 0.015 nan 8.370 nan 0.000 0.435 25 V N 2.165 122.094 119.914 0.026 0.000 2.555 25 V HA -0.019 4.102 4.120 0.001 0.000 0.286 25 V C 0.400 176.502 176.094 0.014 0.000 1.044 25 V CA -0.629 61.682 62.300 0.018 0.000 1.026 25 V CB 1.172 33.003 31.823 0.013 0.000 0.981 25 V HN 0.304 nan 8.190 nan 0.000 0.480 26 L N 6.935 128.164 121.223 0.010 0.000 2.410 26 L HA 0.469 4.810 4.340 0.001 0.000 0.273 26 L C 0.456 177.326 176.870 -0.000 0.000 1.144 26 L CA 0.808 55.649 54.840 0.002 0.000 0.863 26 L CB 0.608 42.666 42.059 -0.001 0.000 1.140 26 L HN 0.985 nan 8.230 nan 0.000 0.463 27 T N 0.766 115.316 114.554 -0.006 0.000 2.864 27 T HA 0.741 5.091 4.350 0.001 0.000 0.289 27 T C 0.112 174.804 174.700 -0.014 0.000 1.082 27 T CA -0.112 61.984 62.100 -0.006 0.000 1.009 27 T CB 1.260 70.125 68.868 -0.004 0.000 1.234 27 T HN 0.782 nan 8.240 nan 0.000 0.526 28 T N -1.871 112.677 114.554 -0.010 0.000 2.847 28 T HA 0.516 4.867 4.350 0.001 0.000 0.279 28 T C 1.825 176.514 174.700 -0.018 0.000 0.984 28 T CA -0.127 61.965 62.100 -0.014 0.000 0.988 28 T CB 0.456 69.321 68.868 -0.005 0.000 1.040 28 T HN 0.992 nan 8.240 nan 0.000 0.528 29 G N -0.033 108.755 108.800 -0.020 0.000 2.475 29 G HA2 -0.034 3.926 3.960 0.001 0.000 0.220 29 G HA3 -0.034 3.926 3.960 0.001 0.000 0.220 29 G C 1.382 176.280 174.900 -0.003 0.000 1.125 29 G CA 0.513 45.604 45.100 -0.015 0.000 0.755 29 G HN 1.077 nan 8.290 nan 0.000 0.565 30 G N -0.669 108.131 108.800 0.000 0.000 2.920 30 G HA2 0.375 4.335 3.960 0.001 0.000 0.208 30 G HA3 0.375 4.335 3.960 0.001 0.000 0.208 30 G C 1.259 176.160 174.900 0.001 0.000 1.159 30 G CA 0.518 45.620 45.100 0.003 0.000 0.784 30 G HN 1.424 nan 8.290 nan 0.000 0.535 31 G N -0.396 108.403 108.800 -0.002 0.000 2.157 31 G HA2 -0.268 3.693 3.960 0.001 0.000 0.248 31 G HA3 -0.268 3.693 3.960 0.001 0.000 0.248 31 G C 0.122 175.023 174.900 0.001 0.000 0.979 31 G CA 0.030 45.130 45.100 -0.001 0.000 0.650 31 G HN 0.615 nan 8.290 nan 0.000 0.529 32 N N 2.566 121.266 118.700 0.001 0.000 2.488 32 N HA 0.490 5.231 4.740 0.001 0.000 0.274 32 N C -2.329 173.183 175.510 0.003 0.000 1.111 32 N CA -1.164 51.888 53.050 0.003 0.000 0.974 32 N CB 1.380 39.870 38.487 0.005 0.000 1.089 32 N HN 0.135 nan 8.380 nan 0.000 0.465 33 P HA -0.034 nan 4.420 nan 0.000 0.268 33 P C -0.395 176.908 177.300 0.006 0.000 1.204 33 P CA -0.248 62.855 63.100 0.005 0.000 0.768 33 P CB 0.807 32.511 31.700 0.006 0.000 0.842 34 V N 1.901 121.819 119.914 0.006 0.000 2.567 34 V HA 0.577 4.697 4.120 0.001 0.000 0.289 34 V C 1.326 177.425 176.094 0.008 0.000 1.049 34 V CA 0.494 62.798 62.300 0.008 0.000 0.969 34 V CB 0.896 32.724 31.823 0.008 0.000 0.995 34 V HN 0.658 nan 8.190 nan 0.000 0.471 35 G N 3.272 112.078 108.800 0.009 0.000 2.408 35 G HA2 0.073 4.034 3.960 0.001 0.000 0.215 35 G HA3 0.073 4.034 3.960 0.001 0.000 0.215 35 G C 0.224 175.129 174.900 0.007 0.000 1.156 35 G CA 0.913 46.018 45.100 0.008 0.000 0.793 35 G HN 0.916 nan 8.290 nan 0.000 0.535 36 D N -1.393 119.013 120.400 0.009 0.000 2.548 36 D HA 0.133 4.774 4.640 0.001 0.000 0.214 36 D C -0.176 176.132 176.300 0.013 0.000 1.345 36 D CA -0.551 53.454 54.000 0.008 0.000 0.945 36 D CB 1.104 41.907 40.800 0.005 0.000 1.499 36 D HN -0.038 nan 8.370 nan 0.000 0.579 37 K N 3.612 124.019 120.400 0.012 0.000 2.437 37 K HA 0.251 4.572 4.320 0.001 0.000 0.205 37 K C 0.631 177.241 176.600 0.017 0.000 1.026 37 K CA -0.097 56.201 56.287 0.018 0.000 1.153 37 K CB 0.350 32.856 32.500 0.009 0.000 0.863 37 K HN 0.481 nan 8.250 nan 0.000 0.502 38 L N -0.039 121.190 121.223 0.010 0.000 2.817 38 L HA 0.218 4.559 4.340 0.001 0.000 0.248 38 L C -0.257 176.612 176.870 -0.001 0.000 1.133 38 L CA -0.071 54.772 54.840 0.004 0.000 0.935 38 L CB 0.450 42.508 42.059 -0.002 0.000 1.266 38 L HN 0.017 nan 8.230 nan 0.000 0.535 39 N N -0.342 118.358 118.700 -0.000 0.000 2.352 39 N HA 0.286 5.027 4.740 0.001 0.000 0.291 39 N C -0.826 174.675 175.510 -0.015 0.000 1.040 39 N CA -0.155 52.887 53.050 -0.014 0.000 0.864 39 N CB 2.247 40.725 38.487 -0.015 0.000 1.440 39 N HN -0.174 nan 8.380 nan 0.000 0.483 40 S N 1.024 116.697 115.700 -0.045 0.000 2.600 40 S HA 0.250 4.721 4.470 0.001 0.000 0.265 40 S C 0.246 174.811 174.600 -0.058 0.000 1.325 40 S CA -0.481 57.677 58.200 -0.070 0.000 1.002 40 S CB 0.776 63.867 63.200 -0.181 0.000 0.921 40 S HN 0.398 nan 8.310 nan 0.000 0.554 41 L N 2.981 124.174 121.223 -0.051 0.000 2.260 41 L HA 0.472 4.812 4.340 0.001 0.000 0.289 41 L C 0.272 177.110 176.870 -0.053 0.000 1.057 41 L CA 0.408 55.227 54.840 -0.035 0.000 0.811 41 L CB 0.202 42.254 42.059 -0.011 0.000 1.184 41 L HN 0.891 nan 8.230 nan 0.000 0.429 42 T N 1.220 115.746 114.554 -0.046 0.000 2.838 42 T HA 0.505 4.856 4.350 0.001 0.000 0.292 42 T C -0.664 174.016 174.700 -0.033 0.000 1.113 42 T CA -0.762 61.309 62.100 -0.048 0.000 1.008 42 T CB 1.471 70.305 68.868 -0.057 0.000 1.259 42 T HN 0.359 nan 8.240 nan 0.000 0.520 43 V N 1.537 121.433 119.914 -0.031 0.000 2.320 43 V HA 0.649 4.769 4.120 0.001 0.000 0.265 43 V C 0.531 176.611 176.094 -0.023 0.000 1.048 43 V CA 1.175 63.461 62.300 -0.023 0.000 0.865 43 V CB -0.547 31.264 31.823 -0.020 0.000 1.043 43 V HN 1.867 nan 8.190 nan 0.000 0.474 44 G N 7.149 115.936 108.800 -0.020 0.000 2.716 44 G HA2 -0.116 3.844 3.960 0.001 0.000 0.686 44 G HA3 -0.116 3.844 3.960 0.001 0.000 0.686 44 G C -1.761 173.125 174.900 -0.023 0.000 1.337 44 G CA -0.312 44.776 45.100 -0.019 0.000 0.829 44 G HN 0.600 nan 8.290 nan 0.000 0.599 45 P HA -0.060 nan 4.420 nan 0.000 0.218 45 P C 1.424 178.708 177.300 -0.027 0.000 1.146 45 P CA 1.216 64.302 63.100 -0.023 0.000 0.813 45 P CB 0.115 31.803 31.700 -0.019 0.000 0.778 46 R N -1.174 119.310 120.500 -0.026 0.000 2.629 46 R HA 0.376 4.717 4.340 0.001 0.000 0.386 46 R C 0.670 176.951 176.300 -0.031 0.000 1.071 46 R CA -0.204 55.879 56.100 -0.028 0.000 1.104 46 R CB -0.019 30.267 30.300 -0.023 0.000 1.370 46 R HN 0.060 nan 8.270 nan 0.000 0.574 47 G N 0.565 109.345 108.800 -0.033 0.000 2.502 47 G HA2 0.473 4.434 3.960 0.001 0.000 0.305 47 G HA3 0.473 4.434 3.960 0.001 0.000 0.305 47 G C -2.349 172.524 174.900 -0.045 0.000 1.190 47 G CA -1.221 43.858 45.100 -0.034 0.000 0.933 47 G HN -0.034 nan 8.290 nan 0.000 0.503 48 P HA 0.226 nan 4.420 nan 0.000 0.273 48 P C -0.451 176.809 177.300 -0.067 0.000 1.250 48 P CA -0.689 62.379 63.100 -0.053 0.000 0.793 48 P CB 0.632 32.308 31.700 -0.041 0.000 1.011 49 L N 1.482 122.651 121.223 -0.089 0.000 2.290 49 L HA 0.262 4.602 4.340 0.001 0.000 0.284 49 L C -0.768 176.056 176.870 -0.076 0.000 1.078 49 L CA -0.015 54.754 54.840 -0.118 0.000 0.815 49 L CB -0.439 41.499 42.059 -0.202 0.000 1.162 49 L HN 0.149 nan 8.230 nan 0.000 0.435 50 L N 5.529 126.718 121.223 -0.057 0.000 2.350 50 L HA 0.292 4.633 4.340 0.001 0.000 0.275 50 L C 1.247 178.119 176.870 0.003 0.000 1.099 50 L CA -0.839 53.987 54.840 -0.022 0.000 0.808 50 L CB 1.132 43.183 42.059 -0.014 0.000 1.149 50 L HN 0.470 nan 8.230 nan 0.000 0.442 51 V N 1.006 120.931 119.914 0.018 0.000 2.720 51 V HA -0.207 3.913 4.120 0.001 0.000 0.256 51 V C 2.216 178.338 176.094 0.047 0.000 1.082 51 V CA 1.351 63.677 62.300 0.044 0.000 1.101 51 V CB -0.804 31.039 31.823 0.034 0.000 0.693 51 V HN 0.853 nan 8.190 nan 0.000 0.479 52 Q N -0.093 119.725 119.800 0.030 0.000 2.308 52 Q HA -0.206 4.134 4.340 0.001 0.000 0.209 52 Q C 1.055 177.080 176.000 0.042 0.000 0.985 52 Q CA 1.067 56.886 55.803 0.028 0.000 0.881 52 Q CB -0.252 28.496 28.738 0.015 0.000 0.917 52 Q HN 0.568 nan 8.270 nan 0.000 0.443 53 D N 0.720 121.154 120.400 0.058 0.000 2.498 53 D HA 0.004 4.645 4.640 0.001 0.000 0.229 53 D C 0.989 177.369 176.300 0.134 0.000 1.188 53 D CA -0.108 53.946 54.000 0.090 0.000 1.028 53 D CB 0.589 41.445 40.800 0.094 0.000 1.087 53 D HN 0.020 nan 8.370 nan 0.000 0.510 54 V N 1.464 121.428 119.914 0.083 0.000 3.461 54 V HA -0.045 4.076 4.120 0.001 0.000 0.267 54 V C 1.841 177.966 176.094 0.051 0.000 1.186 54 V CA 0.326 62.663 62.300 0.063 0.000 1.154 54 V CB -0.100 31.745 31.823 0.037 0.000 0.802 54 V HN 0.242 nan 8.190 nan 0.000 0.474 55 V N 0.170 120.127 119.914 0.072 0.000 2.323 55 V HA -0.126 3.995 4.120 0.001 0.000 0.244 55 V C 2.223 178.357 176.094 0.066 0.000 1.041 55 V CA 2.543 64.877 62.300 0.056 0.000 1.025 55 V CB -0.686 31.176 31.823 0.064 0.000 0.656 55 V HN 0.634 nan 8.190 nan 0.000 0.451 56 F N 1.758 121.701 119.950 -0.011 0.000 2.051 56 F HA -0.208 4.320 4.527 0.001 0.000 0.296 56 F C 2.499 178.295 175.800 -0.008 0.000 1.122 56 F CA 2.436 60.426 58.000 -0.017 0.000 1.201 56 F CB -0.904 38.082 39.000 -0.022 0.000 0.978 56 F HN 0.159 nan 8.300 nan 0.000 0.472 57 T N -0.281 114.161 114.554 -0.186 0.000 2.759 57 T HA -0.262 4.089 4.350 0.001 0.000 0.269 57 T C 1.453 176.018 174.700 -0.224 0.000 1.042 57 T CA 1.718 63.656 62.100 -0.271 0.000 1.140 57 T CB -0.686 68.172 68.868 -0.016 0.000 0.864 57 T HN 0.431 nan 8.240 nan 0.000 0.455 58 D N 0.944 121.272 120.400 -0.119 0.000 2.087 58 D HA -0.158 4.483 4.640 0.001 0.000 0.192 58 D C 2.178 178.433 176.300 -0.076 0.000 0.993 58 D CA 1.695 55.656 54.000 -0.064 0.000 0.828 58 D CB -0.194 40.588 40.800 -0.030 0.000 0.968 58 D HN 0.564 nan 8.370 nan 0.000 0.448 59 E N -1.012 119.116 120.200 -0.120 0.000 2.023 59 E HA -0.272 4.078 4.350 0.001 0.000 0.196 59 E C 2.071 178.604 176.600 -0.112 0.000 1.003 59 E CA 1.315 57.656 56.400 -0.099 0.000 0.809 59 E CB -0.260 29.375 29.700 -0.109 0.000 0.755 59 E HN 0.232 nan 8.360 nan 0.000 0.449 60 M N 0.901 120.292 119.600 -0.348 0.000 2.080 60 M HA -0.136 4.344 4.480 0.001 0.000 0.260 60 M C 2.068 178.303 176.300 -0.110 0.000 1.068 60 M CA 2.110 57.204 55.300 -0.344 0.000 1.109 60 M CB -0.593 31.530 32.600 -0.794 0.000 1.342 60 M HN 0.249 nan 8.290 nan 0.000 0.405 61 A N -1.145 121.592 122.820 -0.139 0.000 1.917 61 A HA -0.263 4.058 4.320 0.001 0.000 0.219 61 A C 2.327 179.909 177.584 -0.003 0.000 1.182 61 A CA 2.143 54.148 52.037 -0.054 0.000 0.633 61 A CB -1.320 17.645 19.000 -0.058 0.000 0.819 61 A HN 0.752 nan 8.150 nan 0.000 0.448 62 H N -1.706 117.346 119.070 -0.029 0.000 2.326 62 H HA -0.132 4.425 4.556 0.001 0.000 0.301 62 H C 1.920 177.257 175.328 0.014 0.000 1.081 62 H CA 1.944 57.982 56.048 -0.016 0.000 1.334 62 H CB -0.451 29.296 29.762 -0.025 0.000 1.385 62 H HN 0.513 nan 8.280 nan 0.000 0.504 63 F N 2.250 122.231 119.950 0.051 0.000 2.161 63 F HA -0.184 4.344 4.527 0.001 0.000 0.300 63 F C 1.741 177.508 175.800 -0.054 0.000 1.089 63 F CA 1.601 59.602 58.000 0.002 0.000 1.282 63 F CB -0.305 38.676 39.000 -0.030 0.000 1.010 63 F HN 0.060 nan 8.300 nan 0.000 0.485 64 D N 0.387 120.923 120.400 0.227 0.000 2.378 64 D HA -0.094 4.547 4.640 0.001 0.000 0.222 64 D C 1.396 177.644 176.300 -0.086 0.000 0.980 64 D CA 0.845 54.900 54.000 0.092 0.000 0.907 64 D CB -0.208 40.646 40.800 0.090 0.000 0.899 64 D HN 0.504 nan 8.370 nan 0.000 0.527 65 R N -0.030 120.368 120.500 -0.169 0.000 2.565 65 R HA 0.200 4.541 4.340 0.001 0.000 0.347 65 R C 1.103 177.245 176.300 -0.264 0.000 1.010 65 R CA -0.152 55.817 56.100 -0.218 0.000 1.126 65 R CB 0.469 30.618 30.300 -0.252 0.000 1.331 65 R HN 0.126 nan 8.270 nan 0.000 0.552 66 E N 1.283 121.306 120.200 -0.294 0.000 2.160 66 E HA -0.089 4.261 4.350 0.001 0.000 0.195 66 E C 0.335 176.770 176.600 -0.275 0.000 0.991 66 E CA 0.951 57.163 56.400 -0.314 0.000 0.810 66 E CB 0.182 29.660 29.700 -0.369 0.000 0.742 66 E HN 0.146 nan 8.360 nan 0.000 0.466 67 R N 1.205 121.591 120.500 -0.190 0.000 2.500 67 R HA 0.415 4.756 4.340 0.001 0.000 0.275 67 R C 0.566 176.858 176.300 -0.014 0.000 1.051 67 R CA -0.209 55.843 56.100 -0.080 0.000 1.088 67 R CB 0.983 31.236 30.300 -0.079 0.000 1.063 67 R HN 0.165 nan 8.270 nan 0.000 0.511 68 I N -1.558 119.046 120.570 0.057 0.000 3.074 68 I HA 0.561 4.731 4.170 0.001 0.000 0.310 68 I C -2.536 173.596 176.117 0.025 0.000 1.153 68 I CA -2.861 58.460 61.300 0.036 0.000 0.993 68 I CB 2.208 40.256 38.000 0.079 0.000 1.237 68 I HN 0.266 nan 8.210 nan 0.000 0.443 69 P HA 0.152 nan 4.420 nan 0.000 0.268 69 P C -0.974 176.343 177.300 0.028 0.000 1.205 69 P CA 0.016 63.122 63.100 0.009 0.000 0.771 69 P CB 0.433 32.137 31.700 0.005 0.000 0.858 70 E N 2.213 122.442 120.200 0.048 0.000 2.349 70 E HA 0.228 4.579 4.350 0.001 0.000 0.262 70 E C -0.468 176.164 176.600 0.054 0.000 1.088 70 E CA -0.933 55.502 56.400 0.058 0.000 0.899 70 E CB 0.679 30.419 29.700 0.066 0.000 1.044 70 E HN 0.251 nan 8.360 nan 0.000 0.420 71 R N 0.986 121.522 120.500 0.059 0.000 2.566 71 R HA -0.082 4.258 4.340 0.001 0.000 0.273 71 R C 1.142 177.476 176.300 0.057 0.000 0.981 71 R CA 0.221 56.355 56.100 0.057 0.000 1.091 71 R CB 0.437 30.790 30.300 0.089 0.000 0.924 71 R HN 0.595 nan 8.270 nan 0.000 0.411 72 V N 3.895 123.829 119.914 0.034 0.000 2.469 72 V HA -0.139 3.981 4.120 0.001 0.000 0.251 72 V C 0.510 176.638 176.094 0.058 0.000 1.064 72 V CA 1.775 64.094 62.300 0.032 0.000 1.066 72 V CB 0.194 32.021 31.823 0.007 0.000 0.667 72 V HN 0.511 nan 8.190 nan 0.000 0.461 73 V N -2.975 117.009 119.914 0.117 0.000 2.971 73 V HA 0.582 4.703 4.120 0.001 0.000 0.309 73 V C 0.110 176.407 176.094 0.339 0.000 1.130 73 V CA -0.575 61.846 62.300 0.202 0.000 0.964 73 V CB 1.423 33.451 31.823 0.341 0.000 1.029 73 V HN 0.466 nan 8.190 nan 0.000 0.427 74 H N 0.463 119.577 119.070 0.072 0.000 2.969 74 H HA -0.217 4.340 4.556 0.001 0.000 0.269 74 H C 1.571 176.946 175.328 0.077 0.000 1.230 74 H CA 0.639 56.738 56.048 0.084 0.000 1.123 74 H CB -1.142 28.677 29.762 0.094 0.000 1.289 74 H HN 1.136 nan 8.280 nan 0.000 0.364 75 A N 0.647 123.554 122.820 0.145 0.000 1.908 75 A HA -0.138 4.183 4.320 0.001 0.000 0.218 75 A C 1.572 179.238 177.584 0.136 0.000 1.181 75 A CA 1.180 53.290 52.037 0.122 0.000 0.627 75 A CB 0.067 19.117 19.000 0.083 0.000 0.818 75 A HN 0.111 nan 8.150 nan 0.000 0.445 76 K N 0.907 121.380 120.400 0.122 0.000 2.310 76 K HA 0.475 4.795 4.320 0.001 0.000 0.290 76 K C -0.163 176.540 176.600 0.172 0.000 1.077 76 K CA 0.643 57.013 56.287 0.138 0.000 0.922 76 K CB 0.246 32.809 32.500 0.105 0.000 1.057 76 K HN 0.437 nan 8.250 nan 0.000 0.479 77 G N 0.818 109.746 108.800 0.214 0.000 2.623 77 G HA2 0.670 4.631 3.960 0.001 0.000 0.290 77 G HA3 0.670 4.631 3.960 0.001 0.000 0.290 77 G C -1.803 173.266 174.900 0.282 0.000 1.437 77 G CA -0.521 44.703 45.100 0.208 0.000 0.798 77 G HN 0.573 nan 8.290 nan 0.000 0.488 78 A N -1.215 121.740 122.820 0.226 0.000 2.384 78 A HA 1.034 5.354 4.320 0.001 0.000 0.312 78 A C 0.144 177.843 177.584 0.191 0.000 1.113 78 A CA -0.105 52.123 52.037 0.318 0.000 0.779 78 A CB 1.953 21.195 19.000 0.403 0.000 1.307 78 A HN 2.123 nan 8.150 nan 0.000 0.436 79 G N -1.390 107.517 108.800 0.178 0.000 2.690 79 G HA2 0.876 4.837 3.960 0.001 0.000 0.291 79 G HA3 0.876 4.837 3.960 0.001 0.000 0.291 79 G C -0.814 174.064 174.900 -0.036 0.000 1.403 79 G CA 0.099 45.182 45.100 -0.029 0.000 0.864 79 G HN 2.000 nan 8.290 nan 0.000 0.480 80 A N -0.621 122.029 122.820 -0.283 0.000 2.564 80 A HA 0.868 5.188 4.320 0.001 0.000 0.291 80 A C -2.072 175.155 177.584 -0.596 0.000 1.102 80 A CA -0.736 51.167 52.037 -0.224 0.000 0.660 80 A CB 0.960 19.984 19.000 0.039 0.000 1.283 80 A HN 0.883 nan 8.150 nan 0.000 0.430 81 F N -0.638 119.318 119.950 0.010 0.000 2.563 81 F HA 0.817 5.345 4.527 0.001 0.000 0.316 81 F C 0.892 176.676 175.800 -0.027 0.000 1.076 81 F CA 0.392 58.392 58.000 0.001 0.000 0.921 81 F CB 2.594 41.608 39.000 0.022 0.000 1.209 81 F HN 1.089 nan 8.300 nan 0.000 0.462 82 G N 0.411 109.294 108.800 0.138 0.000 2.791 82 G HA2 0.544 4.505 3.960 0.001 0.000 0.158 82 G HA3 0.544 4.505 3.960 0.001 0.000 0.158 82 G C -2.022 172.945 174.900 0.112 0.000 1.193 82 G CA -0.361 44.750 45.100 0.019 0.000 1.032 82 G HN 0.713 nan 8.290 nan 0.000 0.557 83 Y N -1.780 118.554 120.300 0.056 0.000 2.705 83 Y HA 0.818 5.369 4.550 0.001 0.000 0.332 83 Y C -1.879 174.097 175.900 0.128 0.000 1.221 83 Y CA -2.563 55.591 58.100 0.090 0.000 1.059 83 Y CB 1.544 40.052 38.460 0.079 0.000 1.298 83 Y HN 0.725 nan 8.280 nan 0.000 0.459 84 F N 1.732 121.904 119.950 0.370 0.000 2.477 84 F HA 0.605 5.133 4.527 0.001 0.000 0.335 84 F C -0.829 175.216 175.800 0.408 0.000 1.130 84 F CA -0.629 57.552 58.000 0.301 0.000 0.948 84 F CB 1.646 40.836 39.000 0.316 0.000 1.154 84 F HN 0.754 nan 8.300 nan 0.000 0.439 85 E N 5.188 125.183 120.200 -0.341 0.000 2.151 85 E HA 0.515 4.866 4.350 0.001 0.000 0.275 85 E C -1.450 174.775 176.600 -0.625 0.000 0.936 85 E CA -0.833 55.404 56.400 -0.271 0.000 0.777 85 E CB 1.624 31.334 29.700 0.015 0.000 1.108 85 E HN 0.566 nan 8.360 nan 0.000 0.401 86 V N 4.350 124.094 119.914 -0.284 0.000 2.530 86 V HA 0.113 4.234 4.120 0.001 0.000 0.282 86 V C 1.111 177.146 176.094 -0.099 0.000 1.048 86 V CA 0.571 62.803 62.300 -0.114 0.000 0.997 86 V CB 1.174 33.106 31.823 0.182 0.000 0.987 86 V HN 1.023 nan 8.190 nan 0.000 0.477 87 T N 0.338 114.797 114.554 -0.158 0.000 2.987 87 T HA 0.270 4.621 4.350 0.001 0.000 0.248 87 T C 0.454 175.165 174.700 0.018 0.000 0.997 87 T CA 0.092 62.084 62.100 -0.180 0.000 1.013 87 T CB 0.073 68.664 68.868 -0.462 0.000 1.077 87 T HN 0.691 nan 8.240 nan 0.000 0.483 88 H N 0.401 119.495 119.070 0.040 0.000 2.797 88 H HA 0.555 5.112 4.556 0.001 0.000 0.372 88 H C -1.376 173.986 175.328 0.056 0.000 1.168 88 H CA -1.197 54.878 56.048 0.045 0.000 1.163 88 H CB 1.889 31.676 29.762 0.041 0.000 1.778 88 H HN 0.067 nan 8.280 nan 0.000 0.551 89 D N 2.737 123.247 120.400 0.183 0.000 2.396 89 D HA 0.080 4.720 4.640 0.001 0.000 0.225 89 D C 0.488 176.856 176.300 0.113 0.000 1.121 89 D CA -0.351 53.715 54.000 0.109 0.000 0.853 89 D CB 0.706 41.535 40.800 0.048 0.000 1.043 89 D HN 0.629 nan 8.370 nan 0.000 0.500 90 I N 0.897 121.529 120.570 0.104 0.000 3.914 90 I HA 0.118 4.288 4.170 0.001 0.000 0.333 90 I C 1.523 177.752 176.117 0.187 0.000 1.449 90 I CA -0.593 60.823 61.300 0.194 0.000 1.135 90 I CB 0.220 38.229 38.000 0.014 0.000 1.073 90 I HN 0.078 nan 8.210 nan 0.000 0.401 91 T N 2.655 117.264 114.554 0.092 0.000 2.635 91 T HA -0.245 4.106 4.350 0.001 0.000 0.265 91 T C 1.623 176.328 174.700 0.008 0.000 1.058 91 T CA 2.293 64.425 62.100 0.054 0.000 1.162 91 T CB -0.362 68.502 68.868 -0.006 0.000 0.859 91 T HN 0.613 nan 8.240 nan 0.000 0.449 92 R N 0.407 120.848 120.500 -0.098 0.000 4.806 92 R HA 0.005 4.346 4.340 0.001 0.000 0.194 92 R C -0.043 175.931 176.300 -0.544 0.000 2.211 92 R CA 0.667 56.596 56.100 -0.285 0.000 1.801 92 R CB -0.645 29.436 30.300 -0.365 0.000 1.251 92 R HN 0.500 nan 8.270 nan 0.000 0.747 93 Y N -1.382 118.918 120.300 -0.001 0.000 3.042 93 Y HA 0.189 4.740 4.550 0.001 0.000 0.230 93 Y C 0.232 176.139 175.900 0.012 0.000 1.107 93 Y CA -0.130 57.967 58.100 -0.004 0.000 1.346 93 Y CB 0.641 39.080 38.460 -0.036 0.000 1.421 93 Y HN 0.085 nan 8.280 nan 0.000 0.438 94 S N 1.022 116.845 115.700 0.205 0.000 2.538 94 S HA 0.311 4.781 4.470 0.001 0.000 0.288 94 S C 0.172 174.856 174.600 0.140 0.000 1.108 94 S CA -0.930 57.370 58.200 0.167 0.000 0.971 94 S CB 1.993 65.344 63.200 0.252 0.000 1.041 94 S HN 0.285 nan 8.310 nan 0.000 0.483 95 K N 1.303 121.746 120.400 0.072 0.000 2.366 95 K HA 0.277 4.598 4.320 0.001 0.000 0.198 95 K C 0.760 177.372 176.600 0.020 0.000 1.044 95 K CA 0.483 56.797 56.287 0.045 0.000 0.973 95 K CB -0.230 32.282 32.500 0.020 0.000 0.767 95 K HN 0.611 nan 8.250 nan 0.000 0.475 96 A N 2.801 125.608 122.820 -0.021 0.000 2.573 96 A HA -0.150 4.171 4.320 0.001 0.000 0.266 96 A C 0.798 178.274 177.584 -0.179 0.000 1.007 96 A CA 0.397 52.320 52.037 -0.189 0.000 0.878 96 A CB -0.028 18.725 19.000 -0.412 0.000 0.886 96 A HN 0.320 nan 8.150 nan 0.000 0.507 97 K N 2.377 122.682 120.400 -0.159 0.000 2.218 97 K HA -0.159 4.161 4.320 0.001 0.000 0.205 97 K C 1.746 178.282 176.600 -0.107 0.000 1.046 97 K CA 1.384 57.620 56.287 -0.084 0.000 0.933 97 K CB -0.302 32.155 32.500 -0.071 0.000 0.728 97 K HN 0.644 nan 8.250 nan 0.000 0.454 98 V N 0.729 120.450 119.914 -0.321 0.000 2.594 98 V HA -0.193 3.927 4.120 0.001 0.000 0.253 98 V C 1.046 177.054 176.094 -0.145 0.000 1.069 98 V CA 1.610 63.704 62.300 -0.343 0.000 1.082 98 V CB -0.312 31.076 31.823 -0.724 0.000 0.680 98 V HN 0.149 nan 8.190 nan 0.000 0.469 99 F N -0.135 119.845 119.950 0.051 0.000 2.653 99 F HA 0.325 4.853 4.527 0.001 0.000 0.304 99 F C 1.750 177.616 175.800 0.110 0.000 1.092 99 F CA -0.243 57.826 58.000 0.115 0.000 1.279 99 F CB -0.627 38.407 39.000 0.056 0.000 1.044 99 F HN 0.201 nan 8.300 nan 0.000 0.564 100 E N 0.185 120.530 120.200 0.243 0.000 2.072 100 E HA -0.239 4.112 4.350 0.001 0.000 0.218 100 E C 0.137 176.882 176.600 0.242 0.000 1.051 100 E CA 1.907 58.455 56.400 0.247 0.000 0.880 100 E CB 0.059 29.918 29.700 0.265 0.000 0.783 100 E HN 0.375 nan 8.360 nan 0.000 0.473 101 H N -2.258 116.888 119.070 0.127 0.000 2.864 101 H HA 0.379 4.936 4.556 0.001 0.000 0.354 101 H C -0.676 174.722 175.328 0.117 0.000 1.208 101 H CA -0.795 55.317 56.048 0.106 0.000 1.191 101 H CB 1.041 30.846 29.762 0.071 0.000 1.889 101 H HN -0.002 nan 8.280 nan 0.000 0.574 102 I N 1.538 122.234 120.570 0.209 0.000 2.396 102 I HA 0.224 4.395 4.170 0.001 0.000 0.289 102 I C 1.103 177.290 176.117 0.117 0.000 1.056 102 I CA 0.730 62.115 61.300 0.141 0.000 1.365 102 I CB 0.323 38.392 38.000 0.116 0.000 1.407 102 I HN 1.023 nan 8.210 nan 0.000 0.509 103 G N 5.296 114.139 108.800 0.072 0.000 2.179 103 G HA2 -0.210 3.751 3.960 0.001 0.000 0.220 103 G HA3 -0.210 3.751 3.960 0.001 0.000 0.220 103 G C 0.487 175.404 174.900 0.028 0.000 0.990 103 G CA -0.506 44.612 45.100 0.030 0.000 0.646 103 G HN 0.552 nan 8.290 nan 0.000 0.517 104 K N 1.133 121.584 120.400 0.086 0.000 2.436 104 K HA 0.195 4.516 4.320 0.001 0.000 0.282 104 K C 0.317 176.976 176.600 0.098 0.000 1.044 104 K CA -0.074 56.276 56.287 0.104 0.000 1.028 104 K CB 0.194 32.805 32.500 0.184 0.000 0.919 104 K HN 0.132 nan 8.250 nan 0.000 0.474 105 R N 2.154 122.681 120.500 0.044 0.000 2.368 105 R HA 0.303 4.644 4.340 0.001 0.000 0.302 105 R C -0.436 175.948 176.300 0.140 0.000 1.002 105 R CA -0.299 55.820 56.100 0.031 0.000 0.929 105 R CB 1.579 31.797 30.300 -0.137 0.000 1.073 105 R HN 0.495 nan 8.270 nan 0.000 0.464 106 T N 5.038 119.755 114.554 0.272 0.000 2.937 106 T HA 0.335 4.686 4.350 0.001 0.000 0.297 106 T C -2.626 172.263 174.700 0.316 0.000 0.991 106 T CA -1.459 60.812 62.100 0.284 0.000 0.990 106 T CB 2.291 71.380 68.868 0.367 0.000 0.991 106 T HN 0.233 nan 8.240 nan 0.000 0.440 107 P HA 0.405 nan 4.420 nan 0.000 0.268 107 P C -0.615 176.884 177.300 0.332 0.000 1.205 107 P CA -0.319 62.976 63.100 0.325 0.000 0.771 107 P CB 0.317 32.208 31.700 0.318 0.000 0.858 108 I N -1.320 119.391 120.570 0.234 0.000 3.264 108 I HA 0.945 5.116 4.170 0.001 0.000 0.315 108 I C -1.322 174.853 176.117 0.096 0.000 1.154 108 I CA -1.549 59.730 61.300 -0.036 0.000 0.962 108 I CB 2.322 40.087 38.000 -0.391 0.000 1.265 108 I HN 0.287 nan 8.210 nan 0.000 0.463 109 A N 1.998 124.740 122.820 -0.131 0.000 2.486 109 A HA 0.881 5.201 4.320 0.001 0.000 0.300 109 A C -1.408 175.983 177.584 -0.322 0.000 1.048 109 A CA -0.630 51.283 52.037 -0.206 0.000 0.696 109 A CB 1.897 20.892 19.000 -0.009 0.000 1.278 109 A HN 0.649 nan 8.150 nan 0.000 0.405 110 V N 1.506 121.147 119.914 -0.456 0.000 2.841 110 V HA 0.653 4.774 4.120 0.001 0.000 0.310 110 V C -0.236 175.539 176.094 -0.532 0.000 1.090 110 V CA -0.635 61.355 62.300 -0.516 0.000 0.930 110 V CB 2.098 33.538 31.823 -0.637 0.000 1.014 110 V HN 0.937 nan 8.190 nan 0.000 0.425 111 R N 2.386 122.546 120.500 -0.568 0.000 2.513 111 R HA 0.675 5.015 4.340 0.001 0.000 0.301 111 R C -1.865 174.066 176.300 -0.615 0.000 0.968 111 R CA -0.452 55.403 56.100 -0.408 0.000 0.872 111 R CB 1.541 31.818 30.300 -0.038 0.000 1.177 111 R HN 0.579 nan 8.270 nan 0.000 0.444 112 F N 1.407 121.143 119.950 -0.356 0.000 2.458 112 F HA 0.529 5.057 4.527 0.002 0.000 0.330 112 F C 0.435 176.039 175.800 -0.326 0.000 1.082 112 F CA -0.204 57.484 58.000 -0.520 0.000 0.995 112 F CB 2.177 40.478 39.000 -1.165 0.000 1.170 112 F HN 0.535 nan 8.300 nan 0.000 0.478 113 S N -0.856 114.881 115.700 0.061 0.000 2.611 113 S HA 0.663 5.134 4.470 0.001 0.000 0.268 113 S C -0.623 174.072 174.600 0.157 0.000 1.156 113 S CA -0.852 57.439 58.200 0.151 0.000 0.817 113 S CB 1.266 64.600 63.200 0.223 0.000 1.122 113 S HN 0.672 nan 8.310 nan 0.000 0.466 114 T N -0.903 113.710 114.554 0.099 0.000 2.924 114 T HA 0.728 5.079 4.350 0.001 0.000 0.301 114 T C 0.897 175.474 174.700 -0.206 0.000 1.120 114 T CA -0.023 62.086 62.100 0.015 0.000 0.940 114 T CB 0.110 69.001 68.868 0.039 0.000 1.591 114 T HN 0.694 nan 8.240 nan 0.000 0.578 115 V N -0.253 119.528 119.914 -0.222 0.000 3.444 115 V HA 0.384 4.505 4.120 0.001 0.000 0.210 115 V C 2.723 178.699 176.094 -0.196 0.000 1.217 115 V CA 0.485 62.550 62.300 -0.391 0.000 1.302 115 V CB -1.053 30.611 31.823 -0.265 0.000 1.341 115 V HN 0.971 nan 8.190 nan 0.000 0.522 116 A N 0.718 123.446 122.820 -0.153 0.000 2.168 116 A HA 0.270 4.591 4.320 0.001 0.000 0.215 116 A C 1.404 178.922 177.584 -0.110 0.000 1.152 116 A CA 1.040 52.982 52.037 -0.159 0.000 0.716 116 A CB -0.939 17.933 19.000 -0.214 0.000 0.794 116 A HN 0.603 nan 8.150 nan 0.000 0.465 117 G N 0.110 108.867 108.800 -0.072 0.000 2.403 117 G HA2 0.457 4.417 3.960 0.001 0.000 0.259 117 G HA3 0.457 4.417 3.960 0.001 0.000 0.259 117 G C -0.265 174.627 174.900 -0.014 0.000 1.244 117 G CA -0.365 44.711 45.100 -0.039 0.000 0.849 117 G HN 0.458 nan 8.290 nan 0.000 0.532 118 E N 0.966 121.159 120.200 -0.013 0.000 2.405 118 E HA 0.206 4.557 4.350 0.001 0.000 0.253 118 E C 1.690 178.311 176.600 0.034 0.000 1.257 118 E CA -0.192 56.214 56.400 0.010 0.000 0.960 118 E CB 0.475 30.178 29.700 0.004 0.000 1.077 118 E HN 0.319 nan 8.360 nan 0.000 0.512 119 S N -0.223 115.506 115.700 0.047 0.000 2.407 119 S HA -0.170 4.301 4.470 0.001 0.000 0.235 119 S C 1.664 176.293 174.600 0.049 0.000 1.036 119 S CA 1.472 59.710 58.200 0.062 0.000 1.013 119 S CB -0.418 62.822 63.200 0.066 0.000 0.820 119 S HN 0.684 nan 8.310 nan 0.000 0.476 120 G N 0.867 109.688 108.800 0.035 0.000 2.939 120 G HA2 0.140 4.101 3.960 0.001 0.000 0.210 120 G HA3 0.140 4.101 3.960 0.001 0.000 0.210 120 G C 0.537 175.453 174.900 0.027 0.000 1.160 120 G CA 0.366 45.483 45.100 0.027 0.000 0.770 120 G HN 0.592 nan 8.290 nan 0.000 0.543 121 S N 0.157 115.873 115.700 0.027 0.000 2.572 121 S HA 0.497 4.967 4.470 0.001 0.000 0.262 121 S C 0.451 175.074 174.600 0.038 0.000 1.375 121 S CA 0.157 58.372 58.200 0.025 0.000 0.996 121 S CB 1.106 64.317 63.200 0.018 0.000 0.892 121 S HN 0.750 nan 8.310 nan 0.000 0.562 122 A N 0.885 123.727 122.820 0.038 0.000 2.303 122 A HA 0.481 4.802 4.320 0.001 0.000 0.317 122 A C 0.758 178.379 177.584 0.062 0.000 1.149 122 A CA -0.679 51.386 52.037 0.046 0.000 0.822 122 A CB 0.285 19.306 19.000 0.036 0.000 1.131 122 A HN 0.891 nan 8.150 nan 0.000 0.493 123 D N 0.755 121.203 120.400 0.080 0.000 2.097 123 D HA -0.088 4.552 4.640 0.001 0.000 0.197 123 D C 1.420 177.778 176.300 0.096 0.000 0.984 123 D CA 2.325 56.389 54.000 0.107 0.000 0.826 123 D CB -0.341 40.533 40.800 0.124 0.000 0.973 123 D HN 0.681 nan 8.370 nan 0.000 0.460 124 T N 0.026 114.623 114.554 0.072 0.000 4.309 124 T HA 0.355 4.706 4.350 0.001 0.000 0.242 124 T C 0.318 175.037 174.700 0.033 0.000 1.142 124 T CA -0.625 61.502 62.100 0.046 0.000 1.042 124 T CB -0.882 67.970 68.868 -0.027 0.000 1.366 124 T HN -0.047 nan 8.240 nan 0.000 0.942 125 V N -0.122 119.821 119.914 0.049 0.000 2.960 125 V HA 0.782 4.903 4.120 0.001 0.000 0.315 125 V C 0.039 176.161 176.094 0.048 0.000 1.087 125 V CA -1.965 60.362 62.300 0.044 0.000 0.982 125 V CB 1.684 33.530 31.823 0.038 0.000 1.039 125 V HN 0.681 nan 8.190 nan 0.000 0.437 126 R N 1.596 122.121 120.500 0.043 0.000 2.370 126 R HA 0.604 4.945 4.340 0.001 0.000 0.309 126 R C -0.819 175.485 176.300 0.007 0.000 1.059 126 R CA 0.735 56.845 56.100 0.017 0.000 0.981 126 R CB -0.099 30.193 30.300 -0.012 0.000 0.972 126 R HN 1.046 nan 8.270 nan 0.000 0.437 127 D N 3.284 123.694 120.400 0.018 0.000 2.898 127 D HA 0.232 4.872 4.640 0.001 0.000 0.254 127 D C -2.894 173.441 176.300 0.059 0.000 1.107 127 D CA -1.030 52.992 54.000 0.036 0.000 0.729 127 D CB 1.487 42.299 40.800 0.019 0.000 1.734 127 D HN 0.370 nan 8.370 nan 0.000 0.452 128 P HA 0.436 nan 4.420 nan 0.000 0.271 128 P C -0.891 176.472 177.300 0.105 0.000 1.244 128 P CA -0.385 62.766 63.100 0.084 0.000 0.793 128 P CB 0.508 32.302 31.700 0.156 0.000 0.984 129 R N -0.126 120.457 120.500 0.139 0.000 2.562 129 R HA 0.644 4.984 4.340 0.001 0.000 0.298 129 R C -0.009 176.439 176.300 0.246 0.000 0.961 129 R CA -0.440 55.770 56.100 0.184 0.000 0.881 129 R CB 1.104 31.529 30.300 0.207 0.000 1.159 129 R HN 0.611 nan 8.270 nan 0.000 0.450 130 G N 2.221 111.193 108.800 0.288 0.000 2.339 130 G HA2 0.389 4.350 3.960 0.001 0.000 0.287 130 G HA3 0.389 4.350 3.960 0.001 0.000 0.287 130 G C -1.289 173.708 174.900 0.160 0.000 1.163 130 G CA -0.010 45.274 45.100 0.306 0.000 0.872 130 G HN 0.394 nan 8.290 nan 0.000 0.464 131 F N 3.304 123.189 119.950 -0.109 0.000 2.552 131 F HA 0.662 5.190 4.527 0.001 0.000 0.369 131 F C 0.052 175.581 175.800 -0.451 0.000 1.112 131 F CA -2.048 55.782 58.000 -0.284 0.000 1.129 131 F CB 0.921 39.852 39.000 -0.115 0.000 1.360 131 F HN 0.613 nan 8.300 nan 0.000 0.473 132 A N 4.361 126.943 122.820 -0.397 0.000 2.324 132 A HA 0.847 5.168 4.320 0.001 0.000 0.330 132 A C -1.397 175.608 177.584 -0.966 0.000 1.165 132 A CA -0.551 50.974 52.037 -0.853 0.000 0.813 132 A CB 1.382 19.520 19.000 -1.436 0.000 1.197 132 A HN 0.377 nan 8.150 nan 0.000 0.484 133 V N 2.331 121.701 119.914 -0.906 0.000 2.638 133 V HA 0.476 4.597 4.120 0.001 0.000 0.306 133 V C -0.207 175.471 176.094 -0.693 0.000 1.052 133 V CA -0.730 61.065 62.300 -0.842 0.000 0.885 133 V CB 1.914 33.076 31.823 -1.101 0.000 0.999 133 V HN 0.928 nan 8.190 nan 0.000 0.424 134 K N 4.105 124.202 120.400 -0.504 0.000 2.358 134 K HA 0.597 4.918 4.320 0.001 0.000 0.260 134 K C -1.778 174.441 176.600 -0.635 0.000 0.956 134 K CA -0.469 55.577 56.287 -0.401 0.000 0.834 134 K CB 1.034 33.375 32.500 -0.266 0.000 1.102 134 K HN 0.452 nan 8.250 nan 0.000 0.431 135 F N 4.020 123.668 119.950 -0.503 0.000 2.405 135 F HA 0.277 4.804 4.527 0.001 0.000 0.355 135 F C -0.436 175.196 175.800 -0.279 0.000 1.121 135 F CA -0.678 57.123 58.000 -0.333 0.000 1.112 135 F CB 0.627 39.481 39.000 -0.244 0.000 1.126 135 F HN 0.389 nan 8.300 nan 0.000 0.481 136 Y N 1.738 122.075 120.300 0.063 0.000 2.627 136 Y HA 0.305 4.856 4.550 0.001 0.000 0.347 136 Y C 0.916 176.761 175.900 -0.093 0.000 1.099 136 Y CA -0.782 57.278 58.100 -0.068 0.000 1.408 136 Y CB 0.005 38.322 38.460 -0.238 0.000 1.247 136 Y HN 0.571 nan 8.280 nan 0.000 0.506 137 T N -2.043 112.542 114.554 0.052 0.000 2.952 137 T HA 0.293 4.644 4.350 0.001 0.000 0.286 137 T C 0.808 175.481 174.700 -0.044 0.000 1.024 137 T CA -0.897 61.201 62.100 -0.002 0.000 1.029 137 T CB 1.386 70.234 68.868 -0.034 0.000 1.094 137 T HN 0.516 nan 8.240 nan 0.000 0.515 138 E N 0.130 120.298 120.200 -0.053 0.000 2.409 138 E HA 0.007 4.358 4.350 0.001 0.000 0.198 138 E C 0.462 177.031 176.600 -0.053 0.000 1.024 138 E CA 0.602 56.968 56.400 -0.056 0.000 0.861 138 E CB -0.072 29.600 29.700 -0.047 0.000 0.788 138 E HN 0.583 nan 8.360 nan 0.000 0.521 139 D N -0.142 120.222 120.400 -0.061 0.000 2.463 139 D HA 0.271 4.912 4.640 0.001 0.000 0.224 139 D C 0.250 176.517 176.300 -0.055 0.000 1.174 139 D CA 0.602 54.564 54.000 -0.064 0.000 0.829 139 D CB 0.359 41.105 40.800 -0.090 0.000 0.993 139 D HN 0.190 nan 8.370 nan 0.000 0.497 140 G N 0.404 109.180 108.800 -0.040 0.000 2.655 140 G HA2 -0.205 3.756 3.960 0.001 0.000 0.680 140 G HA3 -0.205 3.756 3.960 0.001 0.000 0.680 140 G C -0.548 174.351 174.900 -0.002 0.000 1.302 140 G CA -1.066 44.022 45.100 -0.021 0.000 0.872 140 G HN 0.113 nan 8.290 nan 0.000 0.540 141 N N -0.593 118.115 118.700 0.013 0.000 2.530 141 N HA 0.547 5.288 4.740 0.001 0.000 0.277 141 N C -0.674 174.885 175.510 0.082 0.000 1.168 141 N CA -0.125 52.933 53.050 0.014 0.000 0.979 141 N CB 1.158 39.620 38.487 -0.041 0.000 1.141 141 N HN 0.690 nan 8.380 nan 0.000 0.459 142 W N 2.001 123.220 121.300 -0.134 0.000 2.471 142 W HA 0.381 5.041 4.660 0.001 0.000 0.318 142 W C -1.437 175.032 176.519 -0.083 0.000 1.034 142 W CA -0.922 56.319 57.345 -0.173 0.000 1.224 142 W CB 0.657 29.901 29.460 -0.360 0.000 1.335 142 W HN 0.321 nan 8.180 nan 0.000 0.452 143 D N 5.900 126.282 120.400 -0.031 0.000 2.414 143 D HA 0.175 4.815 4.640 0.001 0.000 0.232 143 D C -0.951 175.102 176.300 -0.411 0.000 1.070 143 D CA -0.378 53.503 54.000 -0.198 0.000 0.839 143 D CB 1.701 42.490 40.800 -0.018 0.000 1.079 143 D HN 0.303 nan 8.370 nan 0.000 0.521 144 L N 4.516 125.327 121.223 -0.687 0.000 2.314 144 L HA 0.255 4.595 4.340 0.001 0.000 0.275 144 L C -0.830 175.719 176.870 -0.535 0.000 1.068 144 L CA -0.672 53.733 54.840 -0.725 0.000 0.894 144 L CB 0.839 42.266 42.059 -1.053 0.000 1.275 144 L HN 0.072 nan 8.230 nan 0.000 0.432 145 V N 5.832 125.520 119.914 -0.376 0.000 2.223 145 V HA 0.472 4.593 4.120 0.001 0.000 0.249 145 V C 1.142 177.099 176.094 -0.228 0.000 1.233 145 V CA -0.005 62.080 62.300 -0.358 0.000 1.131 145 V CB -0.369 31.240 31.823 -0.357 0.000 1.298 145 V HN 0.819 nan 8.190 nan 0.000 0.498 146 G N 2.921 111.588 108.800 -0.222 0.000 2.488 146 G HA2 0.549 4.510 3.960 0.001 0.000 0.318 146 G HA3 0.549 4.510 3.960 0.001 0.000 0.318 146 G C -0.558 174.330 174.900 -0.021 0.000 1.188 146 G CA -0.572 44.470 45.100 -0.097 0.000 0.944 146 G HN 0.486 nan 8.290 nan 0.000 0.495 147 N N -0.733 117.991 118.700 0.040 0.000 2.545 147 N HA 0.219 4.960 4.740 0.001 0.000 0.289 147 N C 0.120 175.746 175.510 0.194 0.000 1.279 147 N CA -0.796 52.338 53.050 0.140 0.000 0.824 147 N CB 1.409 39.983 38.487 0.145 0.000 1.395 147 N HN 0.561 nan 8.380 nan 0.000 0.526 148 N N -0.551 118.283 118.700 0.223 0.000 2.623 148 N HA 0.021 4.761 4.740 0.001 0.000 0.263 148 N C -0.725 174.934 175.510 0.248 0.000 1.218 148 N CA -0.067 53.160 53.050 0.297 0.000 0.949 148 N CB -0.272 38.376 38.487 0.269 0.000 1.270 148 N HN 0.483 nan 8.380 nan 0.000 0.507 149 T N -1.682 112.968 114.554 0.160 0.000 2.893 149 T HA 0.337 4.688 4.350 0.001 0.000 0.337 149 T C -2.999 171.379 174.700 -0.536 0.000 1.587 149 T CA -0.946 60.932 62.100 -0.371 0.000 1.066 149 T CB 1.915 70.301 68.868 -0.803 0.000 1.414 149 T HN -0.127 nan 8.240 nan 0.000 0.488 150 P HA 0.327 nan 4.420 nan 0.000 0.262 150 P C 0.257 177.329 177.300 -0.380 0.000 1.304 150 P CA -0.007 62.723 63.100 -0.616 0.000 0.859 150 P CB -0.455 30.827 31.700 -0.696 0.000 1.310 151 I N -5.606 114.746 120.570 -0.363 0.000 3.595 151 I HA 0.750 4.921 4.170 0.001 0.000 0.289 151 I C -1.001 175.038 176.117 -0.129 0.000 1.145 151 I CA -1.563 59.574 61.300 -0.273 0.000 1.071 151 I CB 1.370 39.143 38.000 -0.379 0.000 1.364 151 I HN -0.330 nan 8.210 nan 0.000 0.486 152 F N -0.413 119.354 119.950 -0.305 0.000 2.690 152 F HA 0.400 4.927 4.527 0.001 0.000 0.311 152 F C -0.077 175.611 175.800 -0.187 0.000 1.111 152 F CA -0.951 56.903 58.000 -0.243 0.000 1.003 152 F CB 1.308 40.272 39.000 -0.060 0.000 1.283 152 F HN 0.482 nan 8.300 nan 0.000 0.442 153 F N 3.575 123.084 119.950 -0.735 0.000 2.079 153 F HA -0.252 4.276 4.527 0.001 0.000 0.296 153 F C 1.388 177.081 175.800 -0.179 0.000 1.084 153 F CA 2.183 59.867 58.000 -0.527 0.000 1.236 153 F CB -0.623 37.807 39.000 -0.950 0.000 0.984 153 F HN 0.221 nan 8.300 nan 0.000 0.488 154 I N -1.384 119.331 120.570 0.242 0.000 2.982 154 I HA 0.464 4.635 4.170 0.001 0.000 0.312 154 I C 0.736 177.020 176.117 0.278 0.000 1.041 154 I CA -0.955 60.511 61.300 0.275 0.000 1.053 154 I CB 2.096 40.310 38.000 0.356 0.000 1.248 154 I HN 0.048 nan 8.210 nan 0.000 0.471 155 R N -0.261 120.365 120.500 0.210 0.000 2.521 155 R HA 0.356 4.697 4.340 0.001 0.000 0.289 155 R C -0.439 175.956 176.300 0.159 0.000 0.936 155 R CA -0.309 55.893 56.100 0.170 0.000 1.089 155 R CB 0.517 30.893 30.300 0.127 0.000 1.348 155 R HN 0.689 nan 8.270 nan 0.000 0.536 156 D N 0.574 121.081 120.400 0.179 0.000 2.492 156 D HA 0.307 4.947 4.640 0.001 0.000 0.248 156 D C 0.604 177.013 176.300 0.182 0.000 1.101 156 D CA -0.214 53.878 54.000 0.153 0.000 0.840 156 D CB 2.212 43.096 40.800 0.140 0.000 1.209 156 D HN 0.073 nan 8.370 nan 0.000 0.524 157 A N 4.559 127.464 122.820 0.141 0.000 1.940 157 A HA -0.210 4.111 4.320 0.001 0.000 0.221 157 A C 2.267 179.973 177.584 0.204 0.000 1.190 157 A CA 1.219 53.347 52.037 0.151 0.000 0.647 157 A CB -0.618 18.429 19.000 0.078 0.000 0.821 157 A HN 0.769 nan 8.150 nan 0.000 0.457 158 L N -0.893 120.423 121.223 0.154 0.000 2.129 158 L HA -0.193 4.147 4.340 0.001 0.000 0.212 158 L C 2.202 179.177 176.870 0.176 0.000 1.087 158 L CA 0.803 55.727 54.840 0.140 0.000 0.757 158 L CB -0.348 41.771 42.059 0.101 0.000 0.896 158 L HN 0.374 nan 8.230 nan 0.000 0.434 159 L N -1.815 119.549 121.223 0.235 0.000 2.418 159 L HA -0.148 4.192 4.340 0.001 0.000 0.218 159 L C 2.236 179.292 176.870 0.311 0.000 1.125 159 L CA 1.165 56.179 54.840 0.291 0.000 0.835 159 L CB -0.867 41.400 42.059 0.347 0.000 0.953 159 L HN 0.222 nan 8.230 nan 0.000 0.454 160 F N 2.948 123.017 119.950 0.199 0.000 2.046 160 F HA -0.131 4.397 4.527 0.001 0.000 0.297 160 F C -0.282 175.569 175.800 0.086 0.000 1.123 160 F CA 1.855 59.992 58.000 0.228 0.000 1.199 160 F CB -1.427 37.690 39.000 0.196 0.000 0.972 160 F HN 0.070 nan 8.300 nan 0.000 0.474 161 P HA -0.202 nan 4.420 nan 0.000 0.216 161 P C 1.945 178.900 177.300 -0.574 0.000 1.153 161 P CA 2.103 65.068 63.100 -0.224 0.000 0.858 161 P CB -0.239 31.406 31.700 -0.092 0.000 0.789 162 S N -1.384 114.072 115.700 -0.406 0.000 2.368 162 S HA -0.156 4.314 4.470 0.001 0.000 0.225 162 S C 1.716 175.935 174.600 -0.636 0.000 1.030 162 S CA 0.807 58.737 58.200 -0.450 0.000 0.999 162 S CB -1.027 62.100 63.200 -0.123 0.000 0.844 162 S HN 0.022 nan 8.310 nan 0.000 0.459 163 F N 2.883 122.331 119.950 -0.836 0.000 2.075 163 F HA -0.082 4.445 4.527 0.001 0.000 0.297 163 F C 1.838 177.108 175.800 -0.884 0.000 1.113 163 F CA 1.301 58.565 58.000 -1.226 0.000 1.218 163 F CB -0.756 37.844 39.000 -0.666 0.000 0.984 163 F HN 0.157 nan 8.300 nan 0.000 0.472 164 I N 0.656 120.580 120.570 -1.077 0.000 2.248 164 I HA -0.352 3.819 4.170 0.001 0.000 0.248 164 I C 2.561 178.330 176.117 -0.580 0.000 1.107 164 I CA 1.836 62.561 61.300 -0.958 0.000 1.373 164 I CB -1.829 35.755 38.000 -0.694 0.000 1.055 164 I HN 0.384 nan 8.210 nan 0.000 0.418 165 H N 0.449 119.179 119.070 -0.567 0.000 2.387 165 H HA -0.132 4.424 4.556 0.001 0.000 0.299 165 H C 2.486 177.549 175.328 -0.442 0.000 1.090 165 H CA 1.535 57.341 56.048 -0.403 0.000 1.332 165 H CB 0.188 29.780 29.762 -0.283 0.000 1.386 165 H HN 0.410 nan 8.280 nan 0.000 0.516 166 S N 0.640 116.066 115.700 -0.455 0.000 2.423 166 S HA -0.126 4.345 4.470 0.001 0.000 0.231 166 S C 1.769 176.033 174.600 -0.560 0.000 1.014 166 S CA 0.734 58.647 58.200 -0.479 0.000 0.965 166 S CB 0.053 62.909 63.200 -0.574 0.000 0.785 166 S HN 0.361 nan 8.310 nan 0.000 0.495 167 Q N 0.644 120.002 119.800 -0.736 0.000 2.444 167 Q HA 0.332 4.673 4.340 0.001 0.000 0.206 167 Q C 0.509 176.249 176.000 -0.433 0.000 0.948 167 Q CA 0.505 55.904 55.803 -0.673 0.000 0.946 167 Q CB 0.144 28.335 28.738 -0.912 0.000 1.027 167 Q HN 0.619 nan 8.270 nan 0.000 0.513 168 K N -0.147 120.032 120.400 -0.368 0.000 2.247 168 K HA 0.420 4.741 4.320 0.001 0.000 0.264 168 K C -0.042 176.411 176.600 -0.246 0.000 1.034 168 K CA -0.707 55.413 56.287 -0.279 0.000 1.129 168 K CB 0.894 33.239 32.500 -0.258 0.000 1.646 168 K HN -0.156 nan 8.250 nan 0.000 0.738 169 R N 1.102 121.453 120.500 -0.249 0.000 2.543 169 R HA 0.163 4.504 4.340 0.001 0.000 0.268 169 R C -0.003 176.204 176.300 -0.155 0.000 1.067 169 R CA -0.577 55.374 56.100 -0.248 0.000 1.142 169 R CB 0.362 30.384 30.300 -0.463 0.000 1.110 169 R HN 0.451 nan 8.270 nan 0.000 0.549 170 N N 1.855 120.496 118.700 -0.100 0.000 2.513 170 N HA 0.014 4.755 4.740 0.001 0.000 0.268 170 N C -1.792 173.714 175.510 -0.006 0.000 1.180 170 N CA -1.359 51.662 53.050 -0.048 0.000 0.948 170 N CB 1.136 39.609 38.487 -0.023 0.000 1.083 170 N HN 0.231 nan 8.380 nan 0.000 0.455 171 P HA -0.164 nan 4.420 nan 0.000 0.218 171 P C 0.771 178.071 177.300 0.001 0.000 1.146 171 P CA 1.391 64.478 63.100 -0.021 0.000 0.813 171 P CB 0.305 31.983 31.700 -0.036 0.000 0.778 172 Q N -1.601 118.204 119.800 0.009 0.000 2.511 172 Q HA -0.009 4.331 4.340 0.001 0.000 0.236 172 Q C 1.830 177.844 176.000 0.023 0.000 0.893 172 Q CA 1.245 57.052 55.803 0.006 0.000 0.947 172 Q CB 0.099 28.838 28.738 0.001 0.000 1.110 172 Q HN 0.239 nan 8.270 nan 0.000 0.591 173 T N -3.230 111.346 114.554 0.037 0.000 3.009 173 T HA -0.043 4.307 4.350 0.001 0.000 0.258 173 T C 0.515 175.286 174.700 0.119 0.000 1.063 173 T CA 1.135 63.264 62.100 0.049 0.000 1.139 173 T CB -0.132 68.751 68.868 0.026 0.000 0.890 173 T HN 0.542 nan 8.240 nan 0.000 0.471 174 H N -0.060 118.984 119.070 -0.042 0.000 3.132 174 H HA -0.090 4.467 4.556 0.001 0.000 0.237 174 H C -0.751 174.550 175.328 -0.046 0.000 1.189 174 H CA 0.396 56.415 56.048 -0.049 0.000 1.129 174 H CB -2.257 27.480 29.762 -0.042 0.000 1.225 174 H HN 0.538 nan 8.280 nan 0.000 0.323 175 L N 0.348 121.527 121.223 -0.074 0.000 2.334 175 L HA 0.406 4.747 4.340 0.001 0.000 0.270 175 L C 0.670 177.469 176.870 -0.119 0.000 1.018 175 L CA -1.261 53.519 54.840 -0.100 0.000 0.811 175 L CB 1.044 43.078 42.059 -0.041 0.000 1.271 175 L HN -0.096 nan 8.230 nan 0.000 0.443 176 K N 2.022 122.352 120.400 -0.117 0.000 2.472 176 K HA -0.001 4.319 4.320 0.001 0.000 0.280 176 K C -0.708 175.851 176.600 -0.070 0.000 1.028 176 K CA 0.383 56.606 56.287 -0.108 0.000 1.045 176 K CB 0.272 32.722 32.500 -0.083 0.000 0.902 176 K HN 0.507 nan 8.250 nan 0.000 0.478 177 D N 5.003 125.360 120.400 -0.072 0.000 2.462 177 D HA 0.159 4.800 4.640 0.001 0.000 0.245 177 D C -1.811 174.492 176.300 0.005 0.000 1.122 177 D CA -1.959 52.023 54.000 -0.029 0.000 0.864 177 D CB 1.635 42.412 40.800 -0.037 0.000 1.098 177 D HN 0.107 nan 8.370 nan 0.000 0.541 178 P HA -0.044 nan 4.420 nan 0.000 0.230 178 P C 0.786 178.238 177.300 0.254 0.000 1.158 178 P CA 0.371 63.636 63.100 0.275 0.000 0.769 178 P CB 0.793 32.736 31.700 0.404 0.000 0.807 179 D N -0.117 120.365 120.400 0.136 0.000 2.117 179 D HA -0.083 4.557 4.640 0.001 0.000 0.198 179 D C 2.092 178.449 176.300 0.095 0.000 0.982 179 D CA 1.278 55.351 54.000 0.121 0.000 0.828 179 D CB -0.360 40.496 40.800 0.094 0.000 0.967 179 D HN 0.192 nan 8.370 nan 0.000 0.464 180 M N -0.562 119.053 119.600 0.025 0.000 2.193 180 M HA -0.040 4.441 4.480 0.001 0.000 0.265 180 M C 2.332 178.560 176.300 -0.120 0.000 1.071 180 M CA 0.628 55.915 55.300 -0.023 0.000 1.140 180 M CB -0.535 32.018 32.600 -0.079 0.000 1.369 180 M HN -0.187 nan 8.290 nan 0.000 0.423 181 V N 0.698 120.462 119.914 -0.248 0.000 2.220 181 V HA -0.275 3.845 4.120 0.001 0.000 0.250 181 V C 2.088 177.787 176.094 -0.658 0.000 1.056 181 V CA 2.502 64.423 62.300 -0.633 0.000 1.016 181 V CB -0.791 30.619 31.823 -0.688 0.000 0.639 181 V HN 0.557 nan 8.190 nan 0.000 0.446 182 W N -0.202 121.049 121.300 -0.083 0.000 2.418 182 W HA -0.098 4.562 4.660 0.001 0.000 0.292 182 W C 2.376 178.940 176.519 0.075 0.000 1.213 182 W CA 1.158 58.551 57.345 0.080 0.000 1.283 182 W CB -0.489 29.003 29.460 0.054 0.000 1.119 182 W HN 0.325 nan 8.180 nan 0.000 0.542 183 D N -0.119 120.408 120.400 0.211 0.000 2.104 183 D HA -0.276 4.365 4.640 0.001 0.000 0.194 183 D C 1.853 178.262 176.300 0.182 0.000 0.994 183 D CA 1.459 55.556 54.000 0.162 0.000 0.830 183 D CB -0.508 40.392 40.800 0.165 0.000 0.959 183 D HN 0.058 nan 8.370 nan 0.000 0.452 184 F N -0.060 119.903 119.950 0.023 0.000 2.031 184 F HA -0.146 4.381 4.527 0.001 0.000 0.295 184 F C 1.968 177.872 175.800 0.174 0.000 1.133 184 F CA 1.608 59.627 58.000 0.033 0.000 1.188 184 F CB -0.613 38.328 39.000 -0.099 0.000 0.974 184 F HN 0.047 nan 8.300 nan 0.000 0.473 185 W N 1.133 122.479 121.300 0.076 0.000 2.318 185 W HA -0.212 4.449 4.660 0.001 0.000 0.313 185 W C 2.834 179.375 176.519 0.036 0.000 1.221 185 W CA 1.739 59.095 57.345 0.018 0.000 1.266 185 W CB -1.674 27.810 29.460 0.040 0.000 1.150 185 W HN 0.073 nan 8.180 nan 0.000 0.496 186 S N 0.726 116.636 115.700 0.350 0.000 2.351 186 S HA -0.207 4.264 4.470 0.001 0.000 0.220 186 S C 1.995 176.655 174.600 0.099 0.000 1.035 186 S CA 1.740 60.067 58.200 0.212 0.000 1.031 186 S CB -1.068 62.216 63.200 0.139 0.000 0.928 186 S HN 0.200 nan 8.310 nan 0.000 0.433 187 L N 0.335 121.586 121.223 0.047 0.000 2.187 187 L HA -0.053 4.288 4.340 0.001 0.000 0.213 187 L C 1.030 177.860 176.870 -0.066 0.000 1.100 187 L CA 0.932 55.770 54.840 -0.004 0.000 0.765 187 L CB -0.415 41.635 42.059 -0.015 0.000 0.904 187 L HN 0.087 nan 8.230 nan 0.000 0.437 188 R N 0.729 121.141 120.500 -0.146 0.000 2.332 188 R HA 0.209 4.550 4.340 0.001 0.000 0.306 188 R C -1.790 174.491 176.300 -0.032 0.000 1.117 188 R CA -1.582 54.420 56.100 -0.164 0.000 1.108 188 R CB 0.909 30.938 30.300 -0.452 0.000 1.126 188 R HN -0.016 nan 8.270 nan 0.000 0.548 189 P HA -0.113 nan 4.420 nan 0.000 0.233 189 P C 0.823 178.128 177.300 0.008 0.000 1.167 189 P CA 0.756 63.877 63.100 0.035 0.000 0.770 189 P CB 0.386 32.114 31.700 0.046 0.000 0.837 190 E N 1.107 121.309 120.200 0.005 0.000 2.265 190 E HA -0.123 4.228 4.350 0.001 0.000 0.196 190 E C 1.534 178.121 176.600 -0.022 0.000 0.996 190 E CA 1.452 57.853 56.400 0.002 0.000 0.832 190 E CB -1.119 28.597 29.700 0.026 0.000 0.756 190 E HN 0.330 nan 8.360 nan 0.000 0.491 191 S N 1.807 117.491 115.700 -0.026 0.000 2.423 191 S HA -0.099 4.372 4.470 0.001 0.000 0.231 191 S C 2.221 176.711 174.600 -0.183 0.000 1.014 191 S CA 0.748 58.899 58.200 -0.082 0.000 0.965 191 S CB -0.824 62.352 63.200 -0.041 0.000 0.785 191 S HN 0.210 nan 8.310 nan 0.000 0.495 192 L N 1.164 122.304 121.223 -0.139 0.000 2.143 192 L HA -0.383 3.957 4.340 0.001 0.000 0.231 192 L C 2.727 179.533 176.870 -0.107 0.000 1.106 192 L CA 2.583 57.326 54.840 -0.161 0.000 0.827 192 L CB -1.205 40.788 42.059 -0.110 0.000 0.915 192 L HN 0.536 nan 8.230 nan 0.000 0.448 193 H N -1.049 117.906 119.070 -0.192 0.000 2.254 193 H HA -0.243 4.314 4.556 0.001 0.000 0.294 193 H C 2.539 177.717 175.328 -0.250 0.000 1.071 193 H CA 1.642 57.567 56.048 -0.206 0.000 1.228 193 H CB 0.143 29.774 29.762 -0.219 0.000 1.358 193 H HN 0.294 nan 8.280 nan 0.000 0.495 194 Q N 0.295 119.903 119.800 -0.320 0.000 2.077 194 Q HA -0.146 4.195 4.340 0.001 0.000 0.206 194 Q C 2.612 178.367 176.000 -0.409 0.000 0.989 194 Q CA 1.617 57.064 55.803 -0.594 0.000 0.853 194 Q CB -0.367 27.630 28.738 -1.236 0.000 0.907 194 Q HN 0.420 nan 8.270 nan 0.000 0.418 195 V N 0.354 120.049 119.914 -0.365 0.000 2.282 195 V HA -0.294 3.827 4.120 0.001 0.000 0.249 195 V C 2.396 178.610 176.094 0.201 0.000 1.057 195 V CA 2.120 64.332 62.300 -0.147 0.000 1.032 195 V CB -1.107 30.469 31.823 -0.412 0.000 0.645 195 V HN 0.211 nan 8.190 nan 0.000 0.447 196 S N -0.029 115.747 115.700 0.127 0.000 2.353 196 S HA -0.193 4.278 4.470 0.001 0.000 0.222 196 S C 1.820 176.701 174.600 0.470 0.000 1.035 196 S CA 1.949 60.335 58.200 0.309 0.000 1.025 196 S CB -0.543 62.862 63.200 0.342 0.000 0.902 196 S HN 0.559 nan 8.310 nan 0.000 0.440 197 F N 2.339 122.374 119.950 0.142 0.000 2.134 197 F HA -0.039 4.489 4.527 0.001 0.000 0.299 197 F C 1.951 177.800 175.800 0.082 0.000 1.097 197 F CA 0.521 58.578 58.000 0.094 0.000 1.264 197 F CB -0.955 37.912 39.000 -0.222 0.000 1.001 197 F HN 0.119 nan 8.300 nan 0.000 0.479 198 L N -0.107 121.274 121.223 0.263 0.000 1.990 198 L HA -0.241 4.100 4.340 0.001 0.000 0.213 198 L C 1.933 178.808 176.870 0.008 0.000 1.072 198 L CA 2.073 56.945 54.840 0.053 0.000 0.755 198 L CB -1.430 40.599 42.059 -0.050 0.000 0.889 198 L HN 0.101 nan 8.230 nan 0.000 0.432 199 F N -0.563 119.527 119.950 0.234 0.000 2.797 199 F HA 0.160 4.688 4.527 0.001 0.000 0.302 199 F C 1.856 177.793 175.800 0.228 0.000 1.130 199 F CA 0.283 58.426 58.000 0.240 0.000 1.387 199 F CB -1.103 38.049 39.000 0.254 0.000 1.107 199 F HN 0.151 nan 8.300 nan 0.000 0.577 200 S N -0.446 115.481 115.700 0.378 0.000 2.650 200 S HA -0.104 4.367 4.470 0.001 0.000 0.251 200 S C 1.406 176.130 174.600 0.208 0.000 1.325 200 S CA -0.061 58.300 58.200 0.267 0.000 0.967 200 S CB 0.262 63.612 63.200 0.249 0.000 1.000 200 S HN 0.192 nan 8.310 nan 0.000 0.584 201 D N -0.152 120.330 120.400 0.136 0.000 2.264 201 D HA -0.002 4.638 4.640 0.001 0.000 0.208 201 D C 2.055 178.441 176.300 0.143 0.000 0.966 201 D CA 0.773 54.842 54.000 0.115 0.000 0.864 201 D CB -0.035 40.805 40.800 0.066 0.000 0.933 201 D HN 0.450 nan 8.370 nan 0.000 0.499 202 R N -0.440 120.175 120.500 0.191 0.000 2.236 202 R HA 0.099 4.440 4.340 0.001 0.000 0.208 202 R C 2.205 178.673 176.300 0.279 0.000 1.036 202 R CA 0.716 56.977 56.100 0.268 0.000 1.001 202 R CB -0.572 29.967 30.300 0.398 0.000 0.896 202 R HN 0.099 nan 8.270 nan 0.000 0.464 203 G N 1.697 110.647 108.800 0.250 0.000 2.568 203 G HA2 -0.170 3.790 3.960 0.001 0.000 0.220 203 G HA3 -0.170 3.790 3.960 0.001 0.000 0.220 203 G C 0.801 175.768 174.900 0.113 0.000 1.104 203 G CA 0.631 45.822 45.100 0.153 0.000 0.738 203 G HN 0.271 nan 8.290 nan 0.000 0.574 204 I N 0.598 121.246 120.570 0.130 0.000 2.642 204 I HA 0.194 4.365 4.170 0.001 0.000 0.273 204 I C -2.710 173.479 176.117 0.120 0.000 1.208 204 I CA -1.803 59.562 61.300 0.108 0.000 1.037 204 I CB 2.563 40.611 38.000 0.080 0.000 1.253 204 I HN -0.182 nan 8.210 nan 0.000 0.504 205 P HA 0.055 nan 4.420 nan 0.000 0.272 205 P C -0.489 176.899 177.300 0.147 0.000 1.230 205 P CA -0.088 63.106 63.100 0.157 0.000 0.788 205 P CB 0.732 32.540 31.700 0.179 0.000 0.949 206 D N 1.006 121.508 120.400 0.169 0.000 2.563 206 D HA 0.428 5.069 4.640 0.001 0.000 0.222 206 D C 0.462 176.919 176.300 0.262 0.000 1.145 206 D CA 0.413 54.543 54.000 0.217 0.000 1.001 206 D CB -1.069 39.812 40.800 0.135 0.000 1.049 206 D HN 0.619 nan 8.370 nan 0.000 0.515 207 G N 2.455 111.334 108.800 0.132 0.000 2.712 207 G HA2 -0.220 3.741 3.960 0.001 0.000 0.683 207 G HA3 -0.220 3.741 3.960 0.001 0.000 0.683 207 G C 0.498 175.265 174.900 -0.221 0.000 1.320 207 G CA -0.628 44.367 45.100 -0.173 0.000 0.847 207 G HN 0.452 nan 8.290 nan 0.000 0.553 208 H N 0.334 119.236 119.070 -0.281 0.000 2.535 208 H HA 0.089 4.646 4.556 0.001 0.000 0.273 208 H C 2.638 177.702 175.328 -0.439 0.000 0.983 208 H CA 1.168 56.887 56.048 -0.549 0.000 1.238 208 H CB 0.222 29.204 29.762 -1.299 0.000 1.412 208 H HN 0.492 nan 8.280 nan 0.000 0.562 209 R N 0.421 120.756 120.500 -0.276 0.000 2.236 209 R HA -0.015 4.326 4.340 0.001 0.000 0.208 209 R C 0.055 176.005 176.300 -0.583 0.000 1.036 209 R CA 0.498 56.366 56.100 -0.387 0.000 1.001 209 R CB 0.251 30.214 30.300 -0.561 0.000 0.896 209 R HN 0.377 nan 8.270 nan 0.000 0.464 210 H N 0.439 119.513 119.070 0.006 0.000 2.412 210 H HA 0.255 4.812 4.556 0.001 0.000 0.239 210 H C 0.036 175.437 175.328 0.121 0.000 1.388 210 H CA -0.056 56.012 56.048 0.033 0.000 1.148 210 H CB 0.023 29.797 29.762 0.019 0.000 1.637 210 H HN 0.166 nan 8.280 nan 0.000 0.542 211 M N -1.099 118.657 119.600 0.259 0.000 2.682 211 M HA 0.478 4.959 4.480 0.001 0.000 0.272 211 M C -2.000 174.582 176.300 0.469 0.000 1.232 211 M CA -0.912 54.585 55.300 0.330 0.000 0.849 211 M CB 2.838 35.617 32.600 0.297 0.000 1.695 211 M HN -0.251 nan 8.290 nan 0.000 0.481 212 D N 0.899 121.541 120.400 0.404 0.000 2.272 212 D HA 0.681 5.322 4.640 0.001 0.000 0.247 212 D C -0.398 175.927 176.300 0.042 0.000 0.990 212 D CA -0.028 54.140 54.000 0.280 0.000 0.931 212 D CB 2.082 42.908 40.800 0.045 0.000 1.195 212 D HN 0.858 nan 8.370 nan 0.000 0.477 213 G N -0.061 108.430 108.800 -0.515 0.000 2.410 213 G HA2 0.537 4.498 3.960 0.001 0.000 0.330 213 G HA3 0.537 4.498 3.960 0.001 0.000 0.330 213 G C -1.467 172.378 174.900 -1.758 0.000 1.142 213 G CA -0.312 44.026 45.100 -1.270 0.000 0.902 213 G HN 0.293 nan 8.290 nan 0.000 0.491 214 Y N -0.447 119.394 120.300 -0.765 0.000 2.433 214 Y HA 0.429 4.979 4.550 0.001 0.000 0.337 214 Y C 1.147 176.924 175.900 -0.205 0.000 1.026 214 Y CA -0.248 57.602 58.100 -0.417 0.000 1.037 214 Y CB 2.567 40.877 38.460 -0.249 0.000 1.245 214 Y HN 0.640 nan 8.280 nan 0.000 0.443 215 G N 0.392 109.252 108.800 0.101 0.000 2.448 215 G HA2 0.017 3.978 3.960 0.001 0.000 0.218 215 G HA3 0.017 3.978 3.960 0.001 0.000 0.218 215 G C 1.028 176.017 174.900 0.147 0.000 1.135 215 G CA 1.068 46.274 45.100 0.177 0.000 0.784 215 G HN 0.739 nan 8.290 nan 0.000 0.543 216 S N -0.998 114.696 115.700 -0.010 0.000 2.260 216 S HA -0.234 4.237 4.470 0.001 0.000 0.243 216 S C 0.900 175.338 174.600 -0.270 0.000 1.065 216 S CA 1.369 59.436 58.200 -0.222 0.000 2.199 216 S CB -1.313 61.660 63.200 -0.379 0.000 1.307 216 S HN 0.743 nan 8.310 nan 0.000 0.497 217 H N 1.684 120.732 119.070 -0.036 0.000 2.671 217 H HA 0.340 4.896 4.556 0.001 0.000 0.372 217 H C 0.500 175.661 175.328 -0.278 0.000 1.227 217 H CA 0.743 56.644 56.048 -0.245 0.000 1.426 217 H CB 0.050 29.516 29.762 -0.493 0.000 1.480 217 H HN 0.344 nan 8.280 nan 0.000 0.611 218 T N 1.921 116.322 114.554 -0.255 0.000 2.889 218 T HA 0.305 4.656 4.350 0.001 0.000 0.291 218 T C -0.041 174.473 174.700 -0.309 0.000 0.995 218 T CA -0.097 61.836 62.100 -0.278 0.000 1.092 218 T CB 0.173 68.923 68.868 -0.197 0.000 0.954 218 T HN 0.229 nan 8.240 nan 0.000 0.506 219 F N 0.908 120.840 119.950 -0.030 0.000 2.790 219 F HA 0.657 5.184 4.527 0.001 0.000 0.386 219 F C 0.442 176.336 175.800 0.158 0.000 1.206 219 F CA -1.077 56.973 58.000 0.083 0.000 1.109 219 F CB 1.236 40.393 39.000 0.261 0.000 1.469 219 F HN 0.168 nan 8.300 nan 0.000 0.513 220 K N 1.406 122.065 120.400 0.431 0.000 2.482 220 K HA 0.604 4.925 4.320 0.001 0.000 0.251 220 K C -2.002 174.746 176.600 0.246 0.000 0.936 220 K CA -0.351 56.169 56.287 0.388 0.000 0.791 220 K CB 1.710 34.456 32.500 0.408 0.000 1.213 220 K HN 0.558 nan 8.250 nan 0.000 0.428 221 L N 3.068 124.394 121.223 0.173 0.000 2.342 221 L HA 0.648 4.989 4.340 0.001 0.000 0.271 221 L C -0.722 176.203 176.870 0.091 0.000 1.008 221 L CA -1.295 53.618 54.840 0.123 0.000 0.818 221 L CB 2.119 44.245 42.059 0.111 0.000 1.296 221 L HN 0.257 nan 8.230 nan 0.000 0.427 222 V N 1.338 121.297 119.914 0.074 0.000 2.577 222 V HA 0.321 4.442 4.120 0.001 0.000 0.303 222 V C -0.606 175.525 176.094 0.061 0.000 1.042 222 V CA -0.861 61.469 62.300 0.050 0.000 0.872 222 V CB 1.958 33.808 31.823 0.044 0.000 0.998 222 V HN 0.926 nan 8.190 nan 0.000 0.423 223 N N 3.781 122.512 118.700 0.051 0.000 2.447 223 N HA 0.514 5.255 4.740 0.001 0.000 0.271 223 N C 1.103 176.628 175.510 0.026 0.000 1.226 223 N CA -0.138 52.932 53.050 0.034 0.000 0.980 223 N CB 0.892 39.376 38.487 -0.005 0.000 1.206 223 N HN 0.598 nan 8.380 nan 0.000 0.558 224 A N -1.191 121.638 122.820 0.016 0.000 2.186 224 A HA -0.128 4.193 4.320 0.001 0.000 0.219 224 A C 0.205 177.796 177.584 0.011 0.000 1.159 224 A CA 1.209 53.254 52.037 0.014 0.000 0.680 224 A CB -0.617 18.388 19.000 0.009 0.000 0.787 224 A HN 0.687 nan 8.150 nan 0.000 0.467 225 D N -0.661 119.744 120.400 0.009 0.000 3.018 225 D HA 0.340 4.980 4.640 0.001 0.000 0.331 225 D C 1.078 177.392 176.300 0.024 0.000 1.334 225 D CA 0.518 54.523 54.000 0.008 0.000 0.900 225 D CB -0.061 40.736 40.800 -0.006 0.000 1.059 225 D HN 0.383 nan 8.370 nan 0.000 0.498 226 G N 1.697 110.525 108.800 0.047 0.000 2.360 226 G HA2 -0.342 3.618 3.960 0.001 0.000 0.302 226 G HA3 -0.342 3.618 3.960 0.001 0.000 0.302 226 G C 0.409 175.383 174.900 0.124 0.000 0.985 226 G CA 0.679 45.837 45.100 0.097 0.000 0.767 226 G HN 0.381 nan 8.290 nan 0.000 0.513 227 E N 0.157 120.393 120.200 0.060 0.000 2.174 227 E HA 0.664 5.015 4.350 0.001 0.000 0.282 227 E C 0.369 176.976 176.600 0.012 0.000 0.992 227 E CA 0.285 56.706 56.400 0.037 0.000 0.803 227 E CB 1.076 30.783 29.700 0.011 0.000 1.090 227 E HN 0.558 nan 8.360 nan 0.000 0.396 228 A N 2.818 125.610 122.820 -0.046 0.000 2.380 228 A HA 0.796 5.116 4.320 0.001 0.000 0.315 228 A C -0.842 176.847 177.584 0.176 0.000 1.101 228 A CA -0.640 51.371 52.037 -0.043 0.000 0.771 228 A CB 1.216 19.947 19.000 -0.448 0.000 1.287 228 A HN 0.508 nan 8.150 nan 0.000 0.436 229 V N -2.102 117.882 119.914 0.117 0.000 3.181 229 V HA 0.766 4.886 4.120 0.001 0.000 0.308 229 V C -1.675 174.404 176.094 -0.024 0.000 1.214 229 V CA -1.035 61.268 62.300 0.006 0.000 1.053 229 V CB 1.535 33.441 31.823 0.139 0.000 1.069 229 V HN 0.727 nan 8.190 nan 0.000 0.441 230 Y N 1.863 122.132 120.300 -0.052 0.000 2.342 230 Y HA 0.769 5.320 4.550 0.001 0.000 0.338 230 Y C 0.644 176.671 175.900 0.211 0.000 0.965 230 Y CA -1.086 57.047 58.100 0.054 0.000 1.159 230 Y CB 1.113 39.601 38.460 0.046 0.000 1.157 230 Y HN 1.195 nan 8.280 nan 0.000 0.486 231 C N 2.328 121.775 119.300 0.245 0.000 2.803 231 C HA 0.863 5.324 4.460 0.001 0.000 0.389 231 C C -0.629 174.212 174.990 -0.248 0.000 1.433 231 C CA -0.989 58.038 59.018 0.016 0.000 1.714 231 C CB 2.061 29.669 27.740 -0.219 0.000 2.106 231 C HN 0.737 nan 8.230 nan 0.000 0.480 232 K N -0.338 119.846 120.400 -0.360 0.000 2.480 232 K HA 0.628 4.948 4.320 0.001 0.000 0.258 232 K C -1.973 174.392 176.600 -0.392 0.000 0.990 232 K CA -0.146 55.927 56.287 -0.357 0.000 0.857 232 K CB 2.073 34.355 32.500 -0.364 0.000 1.384 232 K HN 0.712 nan 8.250 nan 0.000 0.446 233 F N 1.444 121.322 119.950 -0.120 0.000 2.493 233 F HA 0.360 4.887 4.527 0.001 0.000 0.329 233 F C 0.223 175.964 175.800 -0.099 0.000 1.126 233 F CA -0.550 57.450 58.000 -0.000 0.000 0.937 233 F CB 1.388 40.374 39.000 -0.024 0.000 1.146 233 F HN 0.247 nan 8.300 nan 0.000 0.442 234 H N 3.724 123.024 119.070 0.384 0.000 2.689 234 H HA 0.335 4.891 4.556 0.001 0.000 0.346 234 H C -1.587 173.967 175.328 0.376 0.000 1.037 234 H CA -0.884 55.296 56.048 0.221 0.000 1.234 234 H CB 2.021 31.934 29.762 0.252 0.000 1.572 234 H HN 0.554 nan 8.280 nan 0.000 0.524 235 Y N 0.609 120.955 120.300 0.077 0.000 2.326 235 Y HA 0.420 4.970 4.550 0.001 0.000 0.329 235 Y C -0.530 175.534 175.900 0.272 0.000 0.973 235 Y CA -1.483 56.719 58.100 0.171 0.000 1.162 235 Y CB 0.812 39.273 38.460 0.001 0.000 1.147 235 Y HN 0.196 nan 8.280 nan 0.000 0.456 236 K N 1.855 122.547 120.400 0.486 0.000 2.159 236 K HA 0.349 4.670 4.320 0.001 0.000 0.266 236 K C 0.099 176.908 176.600 0.348 0.000 0.975 236 K CA -0.705 55.820 56.287 0.397 0.000 0.865 236 K CB 2.228 34.929 32.500 0.334 0.000 1.087 236 K HN 0.866 nan 8.250 nan 0.000 0.446 237 T N 0.707 115.355 114.554 0.157 0.000 2.932 237 T HA -0.000 4.351 4.350 0.001 0.000 0.312 237 T C 0.383 174.930 174.700 -0.254 0.000 1.071 237 T CA 0.103 61.928 62.100 -0.458 0.000 1.128 237 T CB 0.242 68.910 68.868 -0.334 0.000 0.984 237 T HN 0.356 nan 8.240 nan 0.000 0.549 238 D N 1.440 121.608 120.400 -0.387 0.000 2.346 238 D HA 0.020 4.661 4.640 0.001 0.000 0.206 238 D C 1.844 178.054 176.300 -0.150 0.000 1.001 238 D CA 0.379 54.276 54.000 -0.172 0.000 0.871 238 D CB 0.248 40.966 40.800 -0.137 0.000 0.943 238 D HN 0.655 nan 8.370 nan 0.000 0.518 239 Q N 0.636 120.289 119.800 -0.246 0.000 2.365 239 Q HA 0.256 4.597 4.340 0.001 0.000 0.203 239 Q C 0.897 176.942 176.000 0.076 0.000 0.929 239 Q CA 0.244 55.983 55.803 -0.107 0.000 0.948 239 Q CB -0.155 28.448 28.738 -0.225 0.000 1.043 239 Q HN 0.050 nan 8.270 nan 0.000 0.505 240 G N 1.573 110.394 108.800 0.035 0.000 2.731 240 G HA2 -0.224 3.737 3.960 0.001 0.000 0.686 240 G HA3 -0.224 3.737 3.960 0.001 0.000 0.686 240 G C -0.821 174.194 174.900 0.192 0.000 1.395 240 G CA -0.703 44.459 45.100 0.102 0.000 0.870 240 G HN 0.243 nan 8.290 nan 0.000 0.591 241 I N 1.504 122.156 120.570 0.137 0.000 2.329 241 I HA 0.362 4.533 4.170 0.001 0.000 0.295 241 I C 0.711 176.888 176.117 0.099 0.000 1.109 241 I CA 0.460 61.854 61.300 0.157 0.000 1.297 241 I CB 1.007 39.094 38.000 0.146 0.000 1.433 241 I HN 0.583 nan 8.210 nan 0.000 0.509 242 K N 5.914 126.369 120.400 0.092 0.000 2.413 242 K HA 0.517 4.838 4.320 0.001 0.000 0.257 242 K C -0.750 175.876 176.600 0.043 0.000 0.946 242 K CA -0.532 55.734 56.287 -0.035 0.000 0.823 242 K CB 0.941 33.245 32.500 -0.328 0.000 1.109 242 K HN 0.499 nan 8.250 nan 0.000 0.427 243 N N 2.511 121.239 118.700 0.047 0.000 2.530 243 N HA 0.430 5.171 4.740 0.001 0.000 0.283 243 N C -1.195 174.342 175.510 0.045 0.000 1.238 243 N CA -0.838 52.256 53.050 0.074 0.000 0.971 243 N CB 0.835 39.375 38.487 0.088 0.000 1.195 243 N HN 0.236 nan 8.380 nan 0.000 0.583 244 L N 0.747 122.001 121.223 0.051 0.000 2.346 244 L HA 0.439 4.779 4.340 0.001 0.000 0.274 244 L C 0.129 177.014 176.870 0.025 0.000 1.007 244 L CA -0.555 54.297 54.840 0.020 0.000 0.818 244 L CB 1.789 43.848 42.059 0.001 0.000 1.284 244 L HN 0.769 nan 8.230 nan 0.000 0.424 245 S N 1.371 117.077 115.700 0.010 0.000 2.593 245 S HA 0.176 4.647 4.470 0.001 0.000 0.269 245 S C 1.152 175.769 174.600 0.028 0.000 1.334 245 S CA -0.784 57.430 58.200 0.024 0.000 1.015 245 S CB 1.382 64.590 63.200 0.014 0.000 0.912 245 S HN 0.370 nan 8.310 nan 0.000 0.541 246 V N 1.347 121.292 119.914 0.052 0.000 2.626 246 V HA -0.135 3.985 4.120 0.001 0.000 0.252 246 V C 2.578 178.698 176.094 0.043 0.000 1.067 246 V CA 1.988 64.326 62.300 0.063 0.000 1.081 246 V CB -1.637 30.243 31.823 0.095 0.000 0.686 246 V HN 1.047 nan 8.190 nan 0.000 0.468 247 E N 0.242 120.461 120.200 0.031 0.000 2.190 247 E HA -0.166 4.184 4.350 0.001 0.000 0.191 247 E C 1.493 178.087 176.600 -0.010 0.000 0.978 247 E CA 0.962 57.374 56.400 0.021 0.000 0.839 247 E CB -0.177 29.539 29.700 0.025 0.000 0.787 247 E HN 0.489 nan 8.360 nan 0.000 0.473 248 D N 1.630 122.014 120.400 -0.026 0.000 2.077 248 D HA -0.068 4.572 4.640 0.001 0.000 0.193 248 D C 2.044 178.279 176.300 -0.109 0.000 0.989 248 D CA 2.206 56.163 54.000 -0.071 0.000 0.831 248 D CB -0.385 40.371 40.800 -0.073 0.000 0.979 248 D HN 0.314 nan 8.370 nan 0.000 0.449 249 A N 0.725 123.493 122.820 -0.086 0.000 1.940 249 A HA -0.109 4.211 4.320 0.001 0.000 0.219 249 A C 2.267 179.806 177.584 -0.075 0.000 1.176 249 A CA 2.449 54.430 52.037 -0.094 0.000 0.631 249 A CB -0.940 18.039 19.000 -0.034 0.000 0.814 249 A HN 0.251 nan 8.150 nan 0.000 0.446 250 A N 0.702 123.503 122.820 -0.033 0.000 1.908 250 A HA -0.210 4.110 4.320 0.001 0.000 0.218 250 A C 2.186 179.753 177.584 -0.029 0.000 1.181 250 A CA 2.168 54.204 52.037 -0.002 0.000 0.627 250 A CB -0.455 18.564 19.000 0.031 0.000 0.818 250 A HN 0.760 nan 8.150 nan 0.000 0.445 251 R N -0.658 119.785 120.500 -0.095 0.000 2.080 251 R HA 0.248 4.588 4.340 0.001 0.000 0.222 251 R C 1.862 177.869 176.300 -0.489 0.000 1.107 251 R CA 1.090 57.041 56.100 -0.250 0.000 0.980 251 R CB -0.859 29.358 30.300 -0.139 0.000 0.879 251 R HN 0.331 nan 8.270 nan 0.000 0.439 252 L N 1.072 122.113 121.223 -0.304 0.000 2.129 252 L HA -0.189 4.151 4.340 0.001 0.000 0.212 252 L C 2.690 179.416 176.870 -0.241 0.000 1.087 252 L CA 1.278 55.938 54.840 -0.300 0.000 0.757 252 L CB -0.619 41.236 42.059 -0.340 0.000 0.896 252 L HN 0.520 nan 8.230 nan 0.000 0.434 253 A N 0.300 123.010 122.820 -0.184 0.000 1.881 253 A HA -0.301 4.019 4.320 0.001 0.000 0.219 253 A C 2.117 179.676 177.584 -0.042 0.000 1.215 253 A CA 2.380 54.375 52.037 -0.070 0.000 0.648 253 A CB -0.958 18.044 19.000 0.003 0.000 0.832 253 A HN 0.734 nan 8.150 nan 0.000 0.455 254 H N -3.147 115.919 119.070 -0.007 0.000 2.582 254 H HA 0.199 4.755 4.556 0.001 0.000 0.269 254 H C 1.531 176.858 175.328 -0.003 0.000 0.962 254 H CA 0.574 56.620 56.048 -0.003 0.000 1.230 254 H CB -0.185 29.575 29.762 -0.003 0.000 1.445 254 H HN 0.434 nan 8.280 nan 0.000 0.528 255 E N 1.356 121.270 120.200 -0.476 0.000 2.023 255 E HA -0.138 4.212 4.350 0.001 0.000 0.196 255 E C -0.025 176.534 176.600 -0.068 0.000 1.003 255 E CA 1.491 57.759 56.400 -0.220 0.000 0.809 255 E CB -0.008 29.523 29.700 -0.280 0.000 0.755 255 E HN 0.450 nan 8.360 nan 0.000 0.449 256 D N -1.296 119.060 120.400 -0.073 0.000 2.411 256 D HA 0.099 4.740 4.640 0.001 0.000 0.239 256 D C -2.239 174.078 176.300 0.029 0.000 1.307 256 D CA -1.493 52.511 54.000 0.007 0.000 0.930 256 D CB 1.128 41.963 40.800 0.058 0.000 1.395 256 D HN -0.188 nan 8.370 nan 0.000 0.536 257 P HA 0.005 nan 4.420 nan 0.000 0.231 257 P C -0.141 177.198 177.300 0.066 0.000 1.158 257 P CA 0.591 63.715 63.100 0.040 0.000 0.763 257 P CB 0.432 32.153 31.700 0.036 0.000 0.805 258 D N -1.437 119.004 120.400 0.069 0.000 2.738 258 D HA 0.038 4.678 4.640 0.001 0.000 0.246 258 D C 1.100 177.454 176.300 0.090 0.000 1.270 258 D CA -0.646 53.392 54.000 0.064 0.000 0.833 258 D CB -0.448 40.363 40.800 0.018 0.000 1.040 258 D HN 0.044 nan 8.370 nan 0.000 0.487 259 Y N 1.829 122.113 120.300 -0.026 0.000 2.070 259 Y HA -0.191 4.359 4.550 0.001 0.000 0.280 259 Y C 2.293 178.148 175.900 -0.074 0.000 1.148 259 Y CA 2.207 60.280 58.100 -0.045 0.000 1.125 259 Y CB -0.484 37.941 38.460 -0.057 0.000 0.975 259 Y HN 0.140 nan 8.280 nan 0.000 0.492 260 G N 0.876 109.579 108.800 -0.162 0.000 2.514 260 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 260 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 260 G C 1.703 176.502 174.900 -0.169 0.000 1.198 260 G CA 1.270 46.106 45.100 -0.439 0.000 0.780 260 G HN 0.382 nan 8.290 nan 0.000 0.565 261 L N 0.491 121.737 121.223 0.038 0.000 1.963 261 L HA -0.182 4.159 4.340 0.001 0.000 0.220 261 L C 2.891 179.813 176.870 0.086 0.000 1.076 261 L CA 2.458 57.369 54.840 0.118 0.000 0.772 261 L CB -1.178 40.929 42.059 0.079 0.000 0.892 261 L HN 0.345 nan 8.230 nan 0.000 0.435 262 R N 0.159 120.663 120.500 0.007 0.000 2.094 262 R HA -0.224 4.117 4.340 0.001 0.000 0.239 262 R C 2.235 178.534 176.300 -0.003 0.000 1.137 262 R CA 2.137 58.245 56.100 0.013 0.000 0.943 262 R CB -0.486 29.806 30.300 -0.013 0.000 0.850 262 R HN 0.443 nan 8.270 nan 0.000 0.433 263 D N 0.073 120.356 120.400 -0.195 0.000 2.106 263 D HA -0.215 4.425 4.640 0.001 0.000 0.191 263 D C 1.841 178.083 176.300 -0.097 0.000 0.997 263 D CA 1.739 55.580 54.000 -0.265 0.000 0.834 263 D CB -0.077 40.362 40.800 -0.602 0.000 0.956 263 D HN 0.288 nan 8.370 nan 0.000 0.448 264 L N -0.027 121.166 121.223 -0.051 0.000 2.093 264 L HA -0.042 4.298 4.340 0.001 0.000 0.208 264 L C 2.287 179.226 176.870 0.115 0.000 1.085 264 L CA 1.354 56.217 54.840 0.038 0.000 0.755 264 L CB -1.133 40.990 42.059 0.107 0.000 0.904 264 L HN 0.030 nan 8.230 nan 0.000 0.435 265 F N 0.471 120.454 119.950 0.055 0.000 2.102 265 F HA -0.229 4.299 4.527 0.001 0.000 0.298 265 F C 2.335 178.183 175.800 0.081 0.000 1.105 265 F CA 1.890 59.945 58.000 0.091 0.000 1.239 265 F CB -0.287 38.766 39.000 0.088 0.000 0.991 265 F HN 0.244 nan 8.300 nan 0.000 0.474 266 N N 0.515 119.375 118.700 0.267 0.000 2.216 266 N HA -0.103 4.638 4.740 0.001 0.000 0.183 266 N C 2.020 177.565 175.510 0.059 0.000 1.017 266 N CA 1.167 54.322 53.050 0.175 0.000 0.861 266 N CB -0.680 37.894 38.487 0.146 0.000 0.986 266 N HN 0.385 nan 8.380 nan 0.000 0.428 267 A N 1.895 124.733 122.820 0.030 0.000 1.859 267 A HA -0.128 4.193 4.320 0.001 0.000 0.217 267 A C 2.304 179.890 177.584 0.003 0.000 1.198 267 A CA 1.162 53.199 52.037 0.000 0.000 0.629 267 A CB -0.833 18.162 19.000 -0.007 0.000 0.830 267 A HN 0.207 nan 8.150 nan 0.000 0.446 268 I N -0.341 120.252 120.570 0.038 0.000 2.286 268 I HA -0.275 3.895 4.170 0.001 0.000 0.248 268 I C 2.931 179.089 176.117 0.068 0.000 1.115 268 I CA 1.035 62.411 61.300 0.127 0.000 1.392 268 I CB -0.425 37.612 38.000 0.062 0.000 1.065 268 I HN 0.385 nan 8.210 nan 0.000 0.418 269 A N 0.643 123.435 122.820 -0.046 0.000 1.972 269 A HA -0.195 4.126 4.320 0.001 0.000 0.219 269 A C 2.179 179.769 177.584 0.011 0.000 1.169 269 A CA 2.170 54.193 52.037 -0.023 0.000 0.635 269 A CB -0.964 18.052 19.000 0.026 0.000 0.810 269 A HN 0.530 nan 8.150 nan 0.000 0.446 270 T N -4.638 109.904 114.554 -0.019 0.000 3.206 270 T HA 0.435 4.786 4.350 0.001 0.000 0.253 270 T C 1.244 175.853 174.700 -0.152 0.000 1.042 270 T CA 0.936 63.006 62.100 -0.051 0.000 0.931 270 T CB -0.036 68.814 68.868 -0.031 0.000 1.029 270 T HN 1.652 nan 8.240 nan 0.000 0.564 271 G N 2.018 110.657 108.800 -0.269 0.000 2.179 271 G HA2 -0.301 3.660 3.960 0.001 0.000 0.260 271 G HA3 -0.301 3.660 3.960 0.001 0.000 0.260 271 G C 0.368 174.732 174.900 -0.892 0.000 0.977 271 G CA 0.101 44.808 45.100 -0.655 0.000 0.641 271 G HN 0.621 nan 8.290 nan 0.000 0.533 272 N N 0.722 119.141 118.700 -0.468 0.000 3.091 272 N HA 0.218 4.959 4.740 0.001 0.000 0.301 272 N C -0.110 175.297 175.510 -0.172 0.000 1.325 272 N CA -0.378 52.494 53.050 -0.296 0.000 1.143 272 N CB -0.181 38.224 38.487 -0.138 0.000 1.450 272 N HN 0.335 nan 8.380 nan 0.000 0.542 273 Y N 1.234 121.531 120.300 -0.005 0.000 2.805 273 Y HA 0.082 4.633 4.550 0.002 0.000 0.331 273 Y C -1.504 174.387 175.900 -0.015 0.000 1.241 273 Y CA -1.882 56.220 58.100 0.004 0.000 1.546 273 Y CB -0.617 37.853 38.460 0.016 0.000 1.248 273 Y HN 0.324 nan 8.280 nan 0.000 0.559 274 P HA 0.371 nan 4.420 nan 0.000 0.276 274 P C -0.661 176.670 177.300 0.051 0.000 1.261 274 P CA -0.547 62.530 63.100 -0.039 0.000 0.800 274 P CB 1.822 33.463 31.700 -0.098 0.000 1.066 275 S N -1.322 114.243 115.700 -0.225 0.000 2.565 275 S HA 0.642 5.113 4.470 0.001 0.000 0.269 275 S C -1.904 172.677 174.600 -0.031 0.000 1.153 275 S CA -0.789 57.479 58.200 0.112 0.000 0.835 275 S CB 1.123 64.360 63.200 0.062 0.000 1.122 275 S HN 0.541 nan 8.310 nan 0.000 0.462 276 W N 0.520 121.889 121.300 0.115 0.000 3.031 276 W HA 0.508 5.169 4.660 0.002 0.000 0.337 276 W C -1.013 175.570 176.519 0.107 0.000 1.187 276 W CA -0.930 56.517 57.345 0.169 0.000 1.166 276 W CB 2.451 32.091 29.460 0.301 0.000 1.437 276 W HN 0.701 nan 8.180 nan 0.000 0.551 277 T N 2.872 117.627 114.554 0.335 0.000 2.770 277 T HA 0.321 4.671 4.350 0.001 0.000 0.283 277 T C -0.672 174.058 174.700 0.051 0.000 0.988 277 T CA -0.561 61.593 62.100 0.089 0.000 0.957 277 T CB 1.456 70.305 68.868 -0.033 0.000 0.930 277 T HN 0.159 nan 8.240 nan 0.000 0.443 278 L N 4.601 125.830 121.223 0.010 0.000 2.305 278 L HA 0.562 4.903 4.340 0.001 0.000 0.281 278 L C -1.508 175.299 176.870 -0.105 0.000 1.085 278 L CA -0.198 54.721 54.840 0.133 0.000 0.813 278 L CB -0.050 42.188 42.059 0.299 0.000 1.157 278 L HN 0.579 nan 8.230 nan 0.000 0.436 279 Y N 4.873 125.351 120.300 0.297 0.000 2.536 279 Y HA 0.648 5.198 4.550 0.001 0.000 0.347 279 Y C -0.126 175.889 175.900 0.191 0.000 1.000 279 Y CA -0.931 57.296 58.100 0.210 0.000 1.051 279 Y CB 1.752 40.320 38.460 0.180 0.000 1.259 279 Y HN 0.549 nan 8.280 nan 0.000 0.468 280 I N -0.423 120.282 120.570 0.225 0.000 2.466 280 I HA 0.580 4.751 4.170 0.001 0.000 0.289 280 I C -1.070 175.073 176.117 0.044 0.000 1.026 280 I CA -0.967 60.337 61.300 0.007 0.000 1.078 280 I CB 1.880 39.719 38.000 -0.269 0.000 1.249 280 I HN 0.508 nan 8.210 nan 0.000 0.429 281 Q N 3.558 123.425 119.800 0.111 0.000 2.260 281 Q HA 0.710 5.051 4.340 0.001 0.000 0.238 281 Q C -0.956 175.163 176.000 0.199 0.000 0.948 281 Q CA -0.767 55.158 55.803 0.204 0.000 0.895 281 Q CB 2.801 31.769 28.738 0.384 0.000 1.218 281 Q HN 0.644 nan 8.270 nan 0.000 0.470 282 V N 1.788 121.853 119.914 0.252 0.000 3.078 282 V HA 0.595 4.716 4.120 0.001 0.000 0.311 282 V C -0.779 175.380 176.094 0.110 0.000 1.138 282 V CA -0.824 61.579 62.300 0.171 0.000 1.007 282 V CB 2.281 34.100 31.823 -0.008 0.000 1.045 282 V HN 0.789 nan 8.190 nan 0.000 0.432 283 M N 3.161 122.763 119.600 0.003 0.000 2.298 283 M HA 0.333 4.813 4.480 0.001 0.000 0.255 283 M C -0.295 175.944 176.300 -0.102 0.000 1.021 283 M CA -0.278 54.886 55.300 -0.227 0.000 0.968 283 M CB 1.961 33.974 32.600 -0.979 0.000 2.037 283 M HN 0.961 nan 8.290 nan 0.000 0.478 284 T N 0.752 115.299 114.554 -0.011 0.000 2.802 284 T HA 0.228 4.578 4.350 0.001 0.000 0.305 284 T C 0.820 175.495 174.700 -0.041 0.000 1.053 284 T CA -0.027 62.086 62.100 0.021 0.000 1.058 284 T CB 0.467 69.386 68.868 0.084 0.000 0.988 284 T HN 0.526 nan 8.240 nan 0.000 0.539 285 F N 1.095 120.967 119.950 -0.130 0.000 2.161 285 F HA -0.086 4.442 4.527 0.001 0.000 0.300 285 F C 2.992 178.769 175.800 -0.038 0.000 1.089 285 F CA 1.944 59.863 58.000 -0.136 0.000 1.282 285 F CB -0.596 38.315 39.000 -0.148 0.000 1.010 285 F HN 0.680 nan 8.300 nan 0.000 0.485 286 S N -0.103 115.689 115.700 0.154 0.000 2.344 286 S HA -0.214 4.256 4.470 0.001 0.000 0.217 286 S C 1.808 176.453 174.600 0.076 0.000 1.033 286 S CA 1.377 59.635 58.200 0.097 0.000 1.017 286 S CB -0.791 62.451 63.200 0.069 0.000 0.941 286 S HN 0.421 nan 8.310 nan 0.000 0.430 287 E N 1.952 122.191 120.200 0.066 0.000 2.114 287 E HA -0.222 4.129 4.350 0.001 0.000 0.199 287 E C 2.363 178.998 176.600 0.057 0.000 1.008 287 E CA 1.151 57.601 56.400 0.082 0.000 0.810 287 E CB -0.462 29.307 29.700 0.115 0.000 0.739 287 E HN 0.590 nan 8.360 nan 0.000 0.456 288 A N 1.316 124.113 122.820 -0.038 0.000 1.940 288 A HA -0.264 4.057 4.320 0.001 0.000 0.219 288 A C 2.088 179.699 177.584 0.046 0.000 1.176 288 A CA 1.709 53.684 52.037 -0.104 0.000 0.631 288 A CB -0.374 18.586 19.000 -0.067 0.000 0.814 288 A HN 0.111 nan 8.150 nan 0.000 0.446 289 E N 0.724 120.977 120.200 0.088 0.000 2.007 289 E HA -0.182 4.169 4.350 0.001 0.000 0.194 289 E C 1.990 178.653 176.600 0.105 0.000 0.999 289 E CA 1.649 58.111 56.400 0.104 0.000 0.811 289 E CB -0.570 29.183 29.700 0.088 0.000 0.762 289 E HN 0.707 nan 8.360 nan 0.000 0.450 290 I N -1.029 119.594 120.570 0.089 0.000 2.248 290 I HA -0.168 4.002 4.170 0.001 0.000 0.248 290 I C 1.279 177.441 176.117 0.074 0.000 1.107 290 I CA 0.340 61.677 61.300 0.061 0.000 1.373 290 I CB -0.834 37.192 38.000 0.043 0.000 1.055 290 I HN -0.026 nan 8.210 nan 0.000 0.418 291 F N 4.563 124.494 119.950 -0.031 0.000 2.613 291 F HA -0.035 4.492 4.527 0.001 0.000 0.373 291 F C -0.990 174.785 175.800 -0.042 0.000 1.085 291 F CA -1.114 56.863 58.000 -0.039 0.000 1.309 291 F CB -0.031 38.900 39.000 -0.115 0.000 0.986 291 F HN -0.040 nan 8.300 nan 0.000 0.592 292 P HA -0.186 nan 4.420 nan 0.000 0.207 292 P C 0.516 177.640 177.300 -0.293 0.000 0.993 292 P CA 1.244 63.937 63.100 -0.678 0.000 0.885 292 P CB -0.228 30.779 31.700 -1.155 0.000 0.600 293 F N -0.785 119.058 119.950 -0.178 0.000 2.188 293 F HA 0.258 4.785 4.527 0.001 0.000 0.279 293 F C 1.145 177.130 175.800 0.308 0.000 1.210 293 F CA -1.721 56.333 58.000 0.090 0.000 1.200 293 F CB -2.243 36.815 39.000 0.096 0.000 1.552 293 F HN -0.042 nan 8.300 nan 0.000 0.507 294 N N 2.506 121.491 118.700 0.474 0.000 2.452 294 N HA 0.101 4.842 4.740 0.001 0.000 0.266 294 N C -1.746 173.832 175.510 0.112 0.000 1.209 294 N CA -1.687 51.519 53.050 0.260 0.000 0.929 294 N CB 0.674 39.286 38.487 0.208 0.000 1.063 294 N HN 0.206 nan 8.380 nan 0.000 0.472 295 P HA -0.007 nan 4.420 nan 0.000 0.237 295 P C -0.029 176.871 177.300 -0.667 0.000 1.178 295 P CA 0.850 63.460 63.100 -0.816 0.000 0.766 295 P CB -0.035 30.895 31.700 -1.283 0.000 0.876 296 F N -0.856 119.075 119.950 -0.032 0.000 2.668 296 F HA 0.280 4.808 4.527 0.001 0.000 0.301 296 F C 0.773 176.547 175.800 -0.042 0.000 1.106 296 F CA -1.196 56.752 58.000 -0.087 0.000 1.289 296 F CB -0.280 38.651 39.000 -0.114 0.000 1.006 296 F HN -0.173 nan 8.300 nan 0.000 0.535 297 D N 1.494 121.939 120.400 0.075 0.000 2.317 297 D HA 0.041 4.682 4.640 0.001 0.000 0.252 297 D C 1.052 177.354 176.300 0.004 0.000 1.174 297 D CA 0.062 54.096 54.000 0.056 0.000 0.866 297 D CB 1.399 42.212 40.800 0.022 0.000 1.127 297 D HN 0.145 nan 8.370 nan 0.000 0.467 298 L N 4.160 125.399 121.223 0.027 0.000 2.465 298 L HA -0.056 4.284 4.340 0.001 0.000 0.224 298 L C 2.241 179.095 176.870 -0.027 0.000 1.145 298 L CA 1.434 56.267 54.840 -0.012 0.000 0.834 298 L CB -0.463 41.623 42.059 0.045 0.000 0.944 298 L HN 0.604 nan 8.230 nan 0.000 0.451 299 T N -4.345 110.206 114.554 -0.005 0.000 3.081 299 T HA 0.102 4.452 4.350 0.001 0.000 0.250 299 T C 0.894 175.617 174.700 0.038 0.000 1.100 299 T CA -0.136 61.965 62.100 0.000 0.000 1.038 299 T CB 0.050 68.922 68.868 0.007 0.000 0.962 299 T HN -0.066 nan 8.240 nan 0.000 0.516 300 K N 1.647 122.014 120.400 -0.055 0.000 2.211 300 K HA 0.729 5.049 4.320 0.001 0.000 0.237 300 K C -0.119 176.465 176.600 -0.026 0.000 1.002 300 K CA -0.786 55.433 56.287 -0.112 0.000 0.885 300 K CB 2.070 34.383 32.500 -0.313 0.000 1.136 300 K HN 0.226 nan 8.250 nan 0.000 0.448 301 V N -2.736 117.220 119.914 0.070 0.000 3.130 301 V HA 0.636 4.756 4.120 0.001 0.000 0.310 301 V C -1.618 174.719 176.094 0.405 0.000 1.158 301 V CA -1.089 61.281 62.300 0.116 0.000 1.029 301 V CB 1.966 33.830 31.823 0.069 0.000 1.057 301 V HN 0.576 nan 8.190 nan 0.000 0.436 302 W N 1.531 122.859 121.300 0.047 0.000 2.433 302 W HA 0.756 5.417 4.660 0.001 0.000 0.315 302 W C -2.604 173.973 176.519 0.096 0.000 1.087 302 W CA -2.478 54.935 57.345 0.113 0.000 1.205 302 W CB 0.787 30.229 29.460 -0.031 0.000 1.288 302 W HN 0.426 nan 8.180 nan 0.000 0.504 303 P HA 0.170 nan 4.420 nan 0.000 0.290 303 P C 0.304 177.736 177.300 0.220 0.000 1.276 303 P CA -0.255 63.003 63.100 0.263 0.000 0.808 303 P CB 1.003 32.863 31.700 0.267 0.000 0.966 304 H N 1.205 120.365 119.070 0.150 0.000 2.489 304 H HA -0.094 4.463 4.556 0.001 0.000 0.295 304 H C 2.109 177.471 175.328 0.057 0.000 1.082 304 H CA 1.756 57.855 56.048 0.085 0.000 1.295 304 H CB -1.152 28.618 29.762 0.013 0.000 1.380 304 H HN 0.570 nan 8.280 nan 0.000 0.548 305 G N 1.178 110.096 108.800 0.196 0.000 2.666 305 G HA2 -0.308 3.653 3.960 0.001 0.000 0.215 305 G HA3 -0.308 3.653 3.960 0.001 0.000 0.215 305 G C 1.089 175.980 174.900 -0.014 0.000 1.294 305 G CA 1.316 46.461 45.100 0.076 0.000 0.811 305 G HN 0.429 nan 8.290 nan 0.000 0.594 306 D N -0.970 119.372 120.400 -0.096 0.000 2.224 306 D HA 0.044 4.685 4.640 0.001 0.000 0.205 306 D C -0.075 175.876 176.300 -0.581 0.000 0.965 306 D CA 0.690 54.463 54.000 -0.378 0.000 0.852 306 D CB -0.019 40.461 40.800 -0.532 0.000 0.947 306 D HN 0.414 nan 8.370 nan 0.000 0.494 307 Y N 0.656 120.984 120.300 0.045 0.000 2.555 307 Y HA 0.325 4.875 4.550 0.001 0.000 0.326 307 Y C -2.296 173.646 175.900 0.070 0.000 0.984 307 Y CA -3.058 55.069 58.100 0.046 0.000 1.298 307 Y CB 1.095 39.580 38.460 0.042 0.000 1.094 307 Y HN -0.147 nan 8.280 nan 0.000 0.500 308 P HA 0.060 nan 4.420 nan 0.000 0.274 308 P C -0.647 176.709 177.300 0.094 0.000 1.246 308 P CA -0.402 62.766 63.100 0.113 0.000 0.795 308 P CB 1.616 33.363 31.700 0.078 0.000 1.006 309 L N 2.388 123.638 121.223 0.045 0.000 2.268 309 L HA 0.253 4.594 4.340 0.001 0.000 0.289 309 L C 0.059 177.013 176.870 0.140 0.000 1.064 309 L CA -0.179 54.662 54.840 0.002 0.000 0.824 309 L CB -0.652 41.269 42.059 -0.231 0.000 1.202 309 L HN 0.206 nan 8.230 nan 0.000 0.433 310 I N 7.193 127.881 120.570 0.196 0.000 2.365 310 I HA 0.341 4.511 4.170 0.001 0.000 0.291 310 I C -1.993 174.352 176.117 0.380 0.000 1.004 310 I CA -1.824 59.614 61.300 0.230 0.000 1.311 310 I CB 0.695 38.750 38.000 0.091 0.000 1.401 310 I HN 0.444 nan 8.210 nan 0.000 0.491 311 P HA 0.265 nan 4.420 nan 0.000 0.282 311 P C 0.114 177.535 177.300 0.201 0.000 1.249 311 P CA -0.236 63.010 63.100 0.245 0.000 0.806 311 P CB 1.598 33.528 31.700 0.383 0.000 0.984 312 V N 0.461 120.358 119.914 -0.029 0.000 3.159 312 V HA 0.527 4.648 4.120 0.001 0.000 0.234 312 V C 0.907 176.977 176.094 -0.040 0.000 1.313 312 V CA 0.976 63.285 62.300 0.016 0.000 1.271 312 V CB 0.086 31.933 31.823 0.041 0.000 1.053 312 V HN 0.850 nan 8.190 nan 0.000 0.476 313 G N -0.397 108.339 108.800 -0.107 0.000 2.340 313 G HA2 0.408 4.369 3.960 0.001 0.000 0.299 313 G HA3 0.408 4.369 3.960 0.001 0.000 0.299 313 G C -1.961 172.772 174.900 -0.279 0.000 1.291 313 G CA -0.687 44.226 45.100 -0.312 0.000 0.841 313 G HN -0.045 nan 8.290 nan 0.000 0.500 314 K N 0.151 120.309 120.400 -0.403 0.000 2.221 314 K HA 0.556 4.877 4.320 0.001 0.000 0.258 314 K C -0.926 175.616 176.600 -0.096 0.000 0.944 314 K CA -0.641 55.552 56.287 -0.157 0.000 0.823 314 K CB 2.258 34.713 32.500 -0.075 0.000 1.113 314 K HN 0.274 nan 8.250 nan 0.000 0.431 315 L N 3.917 125.192 121.223 0.087 0.000 2.277 315 L HA 0.347 4.688 4.340 0.001 0.000 0.284 315 L C -0.737 176.176 176.870 0.071 0.000 1.028 315 L CA -0.904 53.991 54.840 0.093 0.000 0.835 315 L CB 1.426 43.554 42.059 0.114 0.000 1.215 315 L HN 0.232 nan 8.230 nan 0.000 0.425 316 V N 5.201 124.970 119.914 -0.243 0.000 2.513 316 V HA 0.445 4.566 4.120 0.001 0.000 0.299 316 V C -0.010 175.936 176.094 -0.247 0.000 1.035 316 V CA -0.541 61.598 62.300 -0.268 0.000 0.889 316 V CB 2.274 33.736 31.823 -0.601 0.000 0.988 316 V HN 0.507 nan 8.190 nan 0.000 0.440 317 L N 5.121 126.343 121.223 -0.003 0.000 2.298 317 L HA 0.533 4.874 4.340 0.001 0.000 0.284 317 L C 0.122 176.957 176.870 -0.059 0.000 1.013 317 L CA -0.323 54.524 54.840 0.012 0.000 0.824 317 L CB 1.469 43.633 42.059 0.174 0.000 1.221 317 L HN 0.884 nan 8.230 nan 0.000 0.418 318 N N 2.220 120.787 118.700 -0.222 0.000 2.232 318 N HA 0.135 4.876 4.740 0.001 0.000 0.240 318 N C -0.172 175.188 175.510 -0.251 0.000 1.307 318 N CA -0.489 52.210 53.050 -0.584 0.000 0.859 318 N CB 0.662 38.478 38.487 -1.119 0.000 1.260 318 N HN 0.439 nan 8.380 nan 0.000 0.501 319 R N 0.245 120.729 120.500 -0.028 0.000 2.533 319 R HA 0.379 4.720 4.340 0.001 0.000 0.288 319 R C -1.360 175.038 176.300 0.163 0.000 1.039 319 R CA -0.531 55.605 56.100 0.060 0.000 0.909 319 R CB 1.050 31.401 30.300 0.084 0.000 1.195 319 R HN 0.013 nan 8.270 nan 0.000 0.438 320 N N 2.905 121.653 118.700 0.080 0.000 2.495 320 N HA 0.398 5.139 4.740 0.001 0.000 0.280 320 N C -2.437 173.227 175.510 0.255 0.000 1.168 320 N CA -1.637 51.465 53.050 0.087 0.000 0.978 320 N CB 1.134 39.467 38.487 -0.257 0.000 1.191 320 N HN 0.345 nan 8.380 nan 0.000 0.497 321 P HA 0.124 nan 4.420 nan 0.000 0.274 321 P C 0.561 178.036 177.300 0.292 0.000 1.231 321 P CA -0.332 63.001 63.100 0.388 0.000 0.790 321 P CB 0.893 32.847 31.700 0.425 0.000 0.951 322 V N 0.212 120.239 119.914 0.188 0.000 2.685 322 V HA 0.062 4.183 4.120 0.001 0.000 0.244 322 V C 0.886 177.107 176.094 0.212 0.000 1.054 322 V CA 1.161 63.572 62.300 0.186 0.000 1.076 322 V CB -0.547 31.338 31.823 0.104 0.000 0.725 322 V HN 0.659 nan 8.190 nan 0.000 0.467 323 N N -1.024 117.792 118.700 0.194 0.000 2.519 323 N HA 0.118 4.859 4.740 0.001 0.000 0.286 323 N C 0.175 175.839 175.510 0.257 0.000 1.079 323 N CA -0.389 52.790 53.050 0.214 0.000 0.878 323 N CB 1.810 40.397 38.487 0.167 0.000 1.375 323 N HN 0.204 nan 8.380 nan 0.000 0.514 324 Y N 4.405 124.813 120.300 0.181 0.000 2.207 324 Y HA -0.214 4.336 4.550 0.001 0.000 0.287 324 Y C 1.563 177.562 175.900 0.165 0.000 1.156 324 Y CA 1.750 59.956 58.100 0.178 0.000 1.182 324 Y CB -0.080 38.478 38.460 0.162 0.000 0.979 324 Y HN 0.649 nan 8.280 nan 0.000 0.521 325 F N 0.204 120.287 119.950 0.221 0.000 2.084 325 F HA -0.103 4.425 4.527 0.001 0.000 0.296 325 F C 2.375 178.181 175.800 0.010 0.000 1.111 325 F CA 1.693 59.761 58.000 0.114 0.000 1.224 325 F CB -0.955 38.115 39.000 0.116 0.000 0.991 325 F HN 0.034 nan 8.300 nan 0.000 0.471 326 A N -0.226 122.648 122.820 0.091 0.000 1.933 326 A HA -0.179 4.141 4.320 0.001 0.000 0.218 326 A C 2.047 179.568 177.584 -0.105 0.000 1.175 326 A CA 2.045 54.067 52.037 -0.025 0.000 0.628 326 A CB -0.729 18.325 19.000 0.089 0.000 0.814 326 A HN 0.583 nan 8.150 nan 0.000 0.444 327 E N -1.176 118.996 120.200 -0.047 0.000 2.307 327 E HA 0.057 4.408 4.350 0.001 0.000 0.195 327 E C 1.684 178.251 176.600 -0.055 0.000 0.975 327 E CA 0.799 57.217 56.400 0.029 0.000 0.878 327 E CB 0.291 30.109 29.700 0.197 0.000 0.845 327 E HN 0.439 nan 8.360 nan 0.000 0.488 328 V N 0.193 119.932 119.914 -0.292 0.000 2.743 328 V HA -0.029 4.092 4.120 0.001 0.000 0.237 328 V C 2.009 177.844 176.094 -0.432 0.000 1.113 328 V CA 0.684 62.718 62.300 -0.444 0.000 1.141 328 V CB -0.178 31.120 31.823 -0.876 0.000 0.873 328 V HN 0.001 nan 8.190 nan 0.000 0.486 329 E N 1.181 121.069 120.200 -0.521 0.000 2.085 329 E HA -0.217 4.134 4.350 0.001 0.000 0.194 329 E C 2.212 178.581 176.600 -0.386 0.000 0.994 329 E CA 1.671 57.848 56.400 -0.372 0.000 0.801 329 E CB -0.269 29.204 29.700 -0.379 0.000 0.743 329 E HN 0.631 nan 8.360 nan 0.000 0.453 330 Q N -0.435 119.078 119.800 -0.478 0.000 2.435 330 Q HA 0.057 4.398 4.340 0.001 0.000 0.207 330 Q C 0.335 176.150 176.000 -0.307 0.000 0.956 330 Q CA -0.165 55.408 55.803 -0.382 0.000 0.917 330 Q CB 0.166 28.682 28.738 -0.370 0.000 0.997 330 Q HN 0.284 nan 8.270 nan 0.000 0.497 331 L N 1.580 122.609 121.223 -0.323 0.000 2.513 331 L HA 0.060 4.400 4.340 0.001 0.000 0.272 331 L C -0.401 176.141 176.870 -0.546 0.000 1.187 331 L CA -0.298 54.277 54.840 -0.441 0.000 0.895 331 L CB 0.398 42.179 42.059 -0.464 0.000 1.147 331 L HN 0.031 nan 8.230 nan 0.000 0.483 332 A N 5.699 128.105 122.820 -0.691 0.000 2.359 332 A HA 0.689 5.009 4.320 0.001 0.000 0.303 332 A C -1.238 175.949 177.584 -0.663 0.000 1.066 332 A CA -0.459 51.132 52.037 -0.745 0.000 0.730 332 A CB 0.759 19.096 19.000 -1.104 0.000 1.211 332 A HN 0.534 nan 8.150 nan 0.000 0.439 333 F N 1.600 121.502 119.950 -0.080 0.000 2.444 333 F HA 0.439 4.967 4.527 0.001 0.000 0.342 333 F C -0.198 175.683 175.800 0.134 0.000 1.121 333 F CA -0.468 57.511 58.000 -0.035 0.000 0.997 333 F CB 2.071 40.996 39.000 -0.124 0.000 1.130 333 F HN 0.424 nan 8.300 nan 0.000 0.454 334 D N 5.314 125.845 120.400 0.219 0.000 2.425 334 D HA 0.232 4.873 4.640 0.001 0.000 0.240 334 D C -1.959 174.330 176.300 -0.020 0.000 1.080 334 D CA -1.524 52.574 54.000 0.163 0.000 0.836 334 D CB 2.132 43.075 40.800 0.240 0.000 1.125 334 D HN 0.158 nan 8.370 nan 0.000 0.525 335 P HA -0.192 nan 4.420 nan 0.000 0.216 335 P C 1.536 178.809 177.300 -0.045 0.000 1.153 335 P CA 1.273 64.251 63.100 -0.204 0.000 0.858 335 P CB 0.178 31.630 31.700 -0.413 0.000 0.789 336 S N -1.622 114.061 115.700 -0.028 0.000 2.488 336 S HA -0.179 4.291 4.470 0.001 0.000 0.246 336 S C 0.878 175.507 174.600 0.049 0.000 0.992 336 S CA 0.740 58.955 58.200 0.025 0.000 0.963 336 S CB -1.666 61.565 63.200 0.052 0.000 0.754 336 S HN 0.225 nan 8.310 nan 0.000 0.519 337 N N 1.287 120.023 118.700 0.059 0.000 2.508 337 N HA 0.378 5.119 4.740 0.001 0.000 0.253 337 N C -1.087 174.486 175.510 0.105 0.000 1.145 337 N CA 0.071 53.162 53.050 0.069 0.000 0.973 337 N CB 0.165 38.692 38.487 0.067 0.000 1.305 337 N HN 0.380 nan 8.380 nan 0.000 0.506 338 M N 2.895 122.524 119.600 0.049 0.000 2.106 338 M HA 0.369 4.850 4.480 0.001 0.000 0.288 338 M C -2.440 173.798 176.300 -0.103 0.000 0.941 338 M CA -1.785 53.503 55.300 -0.019 0.000 0.934 338 M CB 2.225 34.829 32.600 0.007 0.000 1.551 338 M HN 0.211 nan 8.290 nan 0.000 0.437 339 P HA 0.303 nan 4.420 nan 0.000 0.273 339 P C -2.685 174.502 177.300 -0.187 0.000 1.250 339 P CA -1.054 61.932 63.100 -0.190 0.000 0.793 339 P CB -0.464 31.086 31.700 -0.250 0.000 1.011 340 P HA 0.168 nan 4.420 nan 0.000 0.267 340 P C 0.773 178.008 177.300 -0.109 0.000 1.209 340 P CA 0.983 64.032 63.100 -0.085 0.000 0.763 340 P CB -0.005 31.663 31.700 -0.053 0.000 0.816 341 G N 2.568 111.329 108.800 -0.066 0.000 2.255 341 G HA2 -0.135 3.826 3.960 0.001 0.000 0.196 341 G HA3 -0.135 3.826 3.960 0.001 0.000 0.196 341 G C -0.156 174.717 174.900 -0.045 0.000 0.998 341 G CA -0.416 44.659 45.100 -0.041 0.000 0.656 341 G HN 0.474 nan 8.290 nan 0.000 0.490 342 I N 1.076 121.584 120.570 -0.103 0.000 2.499 342 I HA 0.623 4.793 4.170 0.001 0.000 0.288 342 I C -0.649 175.484 176.117 0.027 0.000 1.048 342 I CA -0.717 60.541 61.300 -0.069 0.000 1.062 342 I CB 2.084 39.885 38.000 -0.332 0.000 1.238 342 I HN 0.044 nan 8.210 nan 0.000 0.426 343 E N 6.550 126.837 120.200 0.146 0.000 2.383 343 E HA 0.448 4.798 4.350 0.001 0.000 0.275 343 E C -2.613 174.101 176.600 0.191 0.000 0.918 343 E CA -1.869 54.623 56.400 0.153 0.000 0.764 343 E CB 2.935 32.725 29.700 0.151 0.000 1.252 343 E HN 0.270 nan 8.360 nan 0.000 0.449 344 P HA -0.047 nan 4.420 nan 0.000 0.272 344 P C -0.515 176.730 177.300 -0.091 0.000 1.254 344 P CA -0.143 62.930 63.100 -0.045 0.000 0.795 344 P CB 0.599 32.245 31.700 -0.090 0.000 1.022 345 S N -1.674 113.853 115.700 -0.289 0.000 2.599 345 S HA 0.501 4.972 4.470 0.001 0.000 0.294 345 S C -2.276 172.029 174.600 -0.491 0.000 1.094 345 S CA -1.657 56.289 58.200 -0.423 0.000 0.931 345 S CB 1.276 64.150 63.200 -0.543 0.000 1.093 345 S HN 0.099 nan 8.310 nan 0.000 0.488 346 P HA -0.060 nan 4.420 nan 0.000 0.229 346 P C -0.196 176.855 177.300 -0.415 0.000 1.147 346 P CA 0.833 63.599 63.100 -0.557 0.000 0.766 346 P CB -0.341 30.958 31.700 -0.667 0.000 0.775 347 D N 0.248 120.425 120.400 -0.372 0.000 2.402 347 D HA -0.073 4.568 4.640 0.001 0.000 0.268 347 D C 1.123 177.342 176.300 -0.135 0.000 1.294 347 D CA 0.430 54.340 54.000 -0.151 0.000 0.945 347 D CB 0.432 41.161 40.800 -0.118 0.000 1.112 347 D HN 0.069 nan 8.370 nan 0.000 0.517 348 K N 3.107 123.474 120.400 -0.054 0.000 2.015 348 K HA -0.287 4.034 4.320 0.001 0.000 0.220 348 K C 1.914 178.492 176.600 -0.037 0.000 1.055 348 K CA 1.570 57.840 56.287 -0.030 0.000 0.951 348 K CB -0.227 32.294 32.500 0.035 0.000 0.725 348 K HN 0.390 nan 8.250 nan 0.000 0.449 349 M N 0.993 120.598 119.600 0.010 0.000 2.147 349 M HA -0.243 4.237 4.480 0.001 0.000 0.253 349 M C 2.072 178.306 176.300 -0.110 0.000 1.075 349 M CA 1.536 56.845 55.300 0.016 0.000 1.085 349 M CB -0.527 32.136 32.600 0.106 0.000 1.305 349 M HN 0.253 nan 8.290 nan 0.000 0.409 350 L N 0.067 121.133 121.223 -0.261 0.000 1.970 350 L HA -0.257 4.083 4.340 0.001 0.000 0.212 350 L C 2.227 178.897 176.870 -0.334 0.000 1.071 350 L CA 1.994 56.469 54.840 -0.608 0.000 0.751 350 L CB -1.183 40.409 42.059 -0.778 0.000 0.889 350 L HN 0.420 nan 8.230 nan 0.000 0.432 351 Q N -0.091 119.570 119.800 -0.233 0.000 2.133 351 Q HA -0.221 4.120 4.340 0.001 0.000 0.208 351 Q C 2.091 178.052 176.000 -0.066 0.000 0.991 351 Q CA 1.836 57.553 55.803 -0.143 0.000 0.867 351 Q CB -0.914 27.748 28.738 -0.127 0.000 0.911 351 Q HN 0.769 nan 8.270 nan 0.000 0.417 352 G N 0.951 109.721 108.800 -0.050 0.000 2.422 352 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 352 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 352 G C 1.449 176.388 174.900 0.065 0.000 1.146 352 G CA 0.413 45.528 45.100 0.024 0.000 0.769 352 G HN 0.284 nan 8.290 nan 0.000 0.547 353 R N -0.249 120.246 120.500 -0.008 0.000 2.235 353 R HA 0.209 4.550 4.340 0.001 0.000 0.213 353 R C 2.358 178.719 176.300 0.102 0.000 1.059 353 R CA 0.071 56.230 56.100 0.099 0.000 0.997 353 R CB -0.283 29.986 30.300 -0.052 0.000 0.884 353 R HN 0.322 nan 8.270 nan 0.000 0.462 354 L N -0.140 121.100 121.223 0.027 0.000 2.131 354 L HA -0.180 4.161 4.340 0.001 0.000 0.210 354 L C 2.078 179.037 176.870 0.148 0.000 1.092 354 L CA 1.390 56.258 54.840 0.045 0.000 0.759 354 L CB -0.191 41.878 42.059 0.016 0.000 0.903 354 L HN 0.230 nan 8.230 nan 0.000 0.435 355 F N -0.528 119.434 119.950 0.021 0.000 2.553 355 F HA 0.257 4.784 4.527 0.001 0.000 0.282 355 F C 2.317 178.126 175.800 0.015 0.000 1.089 355 F CA 0.547 58.560 58.000 0.022 0.000 1.411 355 F CB -0.316 38.684 39.000 -0.001 0.000 1.125 355 F HN -0.122 nan 8.300 nan 0.000 0.610 356 A N 0.448 123.060 122.820 -0.347 0.000 1.948 356 A HA -0.200 4.121 4.320 0.001 0.000 0.220 356 A C 1.904 179.126 177.584 -0.603 0.000 1.177 356 A CA 2.068 53.733 52.037 -0.620 0.000 0.636 356 A CB -1.539 17.280 19.000 -0.301 0.000 0.815 356 A HN 0.599 nan 8.150 nan 0.000 0.449 357 Y N -0.116 119.940 120.300 -0.406 0.000 2.153 357 Y HA -0.047 4.503 4.550 0.001 0.000 0.289 357 Y C -0.107 175.484 175.900 -0.516 0.000 1.127 357 Y CA 1.842 59.672 58.100 -0.450 0.000 1.131 357 Y CB -1.495 36.821 38.460 -0.239 0.000 0.995 357 Y HN 0.286 nan 8.280 nan 0.000 0.505 358 P HA -0.108 nan 4.420 nan 0.000 0.219 358 P C 0.986 178.227 177.300 -0.097 0.000 1.150 358 P CA 1.900 65.063 63.100 0.105 0.000 0.814 358 P CB 0.040 31.873 31.700 0.222 0.000 0.787 359 D N -0.838 119.387 120.400 -0.291 0.000 2.103 359 D HA -0.191 4.450 4.640 0.001 0.000 0.190 359 D C 2.025 178.161 176.300 -0.273 0.000 0.997 359 D CA 1.984 55.774 54.000 -0.350 0.000 0.833 359 D CB -1.018 39.267 40.800 -0.859 0.000 0.961 359 D HN -0.019 nan 8.370 nan 0.000 0.447 360 T N -1.832 112.486 114.554 -0.394 0.000 2.867 360 T HA -0.133 4.218 4.350 0.001 0.000 0.268 360 T C 1.657 176.231 174.700 -0.211 0.000 1.057 360 T CA 1.544 63.478 62.100 -0.277 0.000 1.136 360 T CB -0.468 68.183 68.868 -0.361 0.000 0.874 360 T HN 0.341 nan 8.240 nan 0.000 0.466 361 H N 0.254 119.122 119.070 -0.336 0.000 2.387 361 H HA 0.039 4.595 4.556 0.001 0.000 0.299 361 H C 2.592 177.637 175.328 -0.473 0.000 1.090 361 H CA 1.130 56.817 56.048 -0.602 0.000 1.332 361 H CB 0.138 29.132 29.762 -1.280 0.000 1.386 361 H HN 0.286 nan 8.280 nan 0.000 0.516 362 R N -0.460 119.978 120.500 -0.103 0.000 2.148 362 R HA -0.134 4.206 4.340 0.001 0.000 0.227 362 R C 1.884 178.217 176.300 0.054 0.000 1.103 362 R CA 1.389 57.535 56.100 0.077 0.000 0.983 362 R CB -0.177 30.204 30.300 0.135 0.000 0.874 362 R HN 0.509 nan 8.270 nan 0.000 0.451 363 H N 1.039 120.074 119.070 -0.059 0.000 2.273 363 H HA 0.035 4.592 4.556 0.001 0.000 0.311 363 H C 2.239 177.541 175.328 -0.042 0.000 1.057 363 H CA 1.416 57.437 56.048 -0.044 0.000 1.360 363 H CB -0.043 29.681 29.762 -0.064 0.000 1.414 363 H HN -0.065 nan 8.280 nan 0.000 0.516 364 R N -0.059 120.275 120.500 -0.278 0.000 2.105 364 R HA -0.070 4.271 4.340 0.001 0.000 0.239 364 R C 1.584 177.772 176.300 -0.187 0.000 1.135 364 R CA 1.990 57.924 56.100 -0.277 0.000 0.967 364 R CB -0.098 30.165 30.300 -0.063 0.000 0.861 364 R HN 0.481 nan 8.270 nan 0.000 0.442 365 L N -1.481 119.660 121.223 -0.138 0.000 2.467 365 L HA 0.365 4.705 4.340 0.001 0.000 0.213 365 L C 0.712 177.570 176.870 -0.020 0.000 1.053 365 L CA 0.303 55.091 54.840 -0.086 0.000 0.847 365 L CB 0.693 42.686 42.059 -0.110 0.000 1.075 365 L HN 0.486 nan 8.230 nan 0.000 0.479 366 G N -0.921 107.886 108.800 0.011 0.000 2.375 366 G HA2 -0.062 3.898 3.960 0.001 0.000 0.663 366 G HA3 -0.062 3.898 3.960 0.001 0.000 0.663 366 G C -2.644 172.348 174.900 0.154 0.000 1.391 366 G CA -0.763 44.372 45.100 0.058 0.000 0.949 366 G HN -0.221 nan 8.290 nan 0.000 0.646 367 P HA -0.091 nan 4.420 nan 0.000 0.217 367 P C 1.043 178.408 177.300 0.109 0.000 1.151 367 P CA 1.292 64.469 63.100 0.128 0.000 0.849 367 P CB 0.118 31.862 31.700 0.073 0.000 0.787 368 N N -1.033 117.707 118.700 0.067 0.000 2.455 368 N HA 0.035 4.775 4.740 0.001 0.000 0.258 368 N C 0.893 176.395 175.510 -0.013 0.000 1.158 368 N CA -0.202 52.844 53.050 -0.008 0.000 0.893 368 N CB -0.706 37.774 38.487 -0.011 0.000 1.173 368 N HN 0.366 nan 8.380 nan 0.000 0.503 369 Y N -0.830 119.448 120.300 -0.035 0.000 2.333 369 Y HA 0.014 4.564 4.550 0.001 0.000 0.290 369 Y C 1.363 177.213 175.900 -0.084 0.000 1.144 369 Y CA 0.847 58.905 58.100 -0.070 0.000 1.228 369 Y CB -0.463 37.944 38.460 -0.087 0.000 0.985 369 Y HN 0.016 nan 8.280 nan 0.000 0.542 370 L N 0.830 121.669 121.223 -0.641 0.000 2.675 370 L HA -0.048 4.293 4.340 0.001 0.000 0.238 370 L C 1.656 178.411 176.870 -0.193 0.000 1.155 370 L CA 0.746 55.323 54.840 -0.439 0.000 0.881 370 L CB -0.424 41.345 42.059 -0.483 0.000 1.008 370 L HN 0.458 nan 8.230 nan 0.000 0.443 371 Q N -0.489 119.229 119.800 -0.137 0.000 2.317 371 Q HA 0.226 4.566 4.340 0.001 0.000 0.220 371 Q C 0.567 176.535 176.000 -0.053 0.000 0.873 371 Q CA -0.144 55.611 55.803 -0.078 0.000 0.936 371 Q CB 1.026 29.726 28.738 -0.064 0.000 1.105 371 Q HN 0.444 nan 8.270 nan 0.000 0.520 372 I N 3.059 123.602 120.570 -0.045 0.000 2.668 372 I HA -0.068 4.103 4.170 0.001 0.000 0.285 372 I C -1.531 174.554 176.117 -0.052 0.000 1.168 372 I CA -1.353 59.922 61.300 -0.040 0.000 1.424 372 I CB 0.590 38.565 38.000 -0.041 0.000 1.377 372 I HN -0.061 nan 8.210 nan 0.000 0.560 373 P HA -0.300 nan 4.420 nan 0.000 0.216 373 P C 1.656 178.900 177.300 -0.094 0.000 1.151 373 P CA 1.737 64.776 63.100 -0.101 0.000 0.953 373 P CB -0.081 31.547 31.700 -0.121 0.000 0.789 374 V N -2.643 117.229 119.914 -0.070 0.000 3.026 374 V HA -0.136 3.984 4.120 0.001 0.000 0.265 374 V C 1.482 177.648 176.094 0.121 0.000 1.121 374 V CA 2.107 64.419 62.300 0.020 0.000 1.142 374 V CB -1.180 30.676 31.823 0.055 0.000 0.730 374 V HN 0.072 nan 8.190 nan 0.000 0.503 375 N N -0.633 118.089 118.700 0.037 0.000 2.368 375 N HA 0.126 4.866 4.740 0.001 0.000 0.178 375 N C 0.868 176.428 175.510 0.084 0.000 1.076 375 N CA 0.757 53.818 53.050 0.019 0.000 0.889 375 N CB -0.002 38.454 38.487 -0.051 0.000 1.040 375 N HN 0.589 nan 8.380 nan 0.000 0.463 376 C N 3.890 123.236 119.300 0.077 0.000 2.597 376 C HA 0.072 4.533 4.460 0.001 0.000 0.412 376 C C -1.871 173.255 174.990 0.226 0.000 1.348 376 C CA -0.786 58.282 59.018 0.083 0.000 1.769 376 C CB 0.139 27.902 27.740 0.038 0.000 2.641 376 C HN 0.257 nan 8.230 nan 0.000 0.612 377 P HA 0.156 nan 4.420 nan 0.000 0.219 377 P C -0.093 177.279 177.300 0.121 0.000 1.832 377 P CA -0.039 63.155 63.100 0.157 0.000 1.014 377 P CB -0.644 31.087 31.700 0.051 0.000 1.939 378 Y N 0.474 120.788 120.300 0.024 0.000 2.421 378 Y HA 0.024 4.575 4.550 0.001 0.000 0.292 378 Y C 1.488 177.368 175.900 -0.033 0.000 1.136 378 Y CA 0.708 58.779 58.100 -0.049 0.000 1.255 378 Y CB -0.527 37.852 38.460 -0.136 0.000 0.991 378 Y HN -0.093 nan 8.280 nan 0.000 0.552 379 R N 1.477 121.647 120.500 -0.551 0.000 2.363 379 R HA 0.426 4.767 4.340 0.001 0.000 0.236 379 R C -0.139 176.069 176.300 -0.154 0.000 0.966 379 R CA 0.611 56.474 56.100 -0.395 0.000 1.100 379 R CB -0.296 29.736 30.300 -0.446 0.000 1.125 379 R HN 0.546 nan 8.270 nan 0.000 0.514 380 A N 0.550 123.316 122.820 -0.090 0.000 2.681 380 A HA 0.708 5.029 4.320 0.001 0.000 0.278 380 A C -1.065 176.500 177.584 -0.031 0.000 1.272 380 A CA -0.711 51.296 52.037 -0.051 0.000 0.750 380 A CB 1.229 20.205 19.000 -0.041 0.000 1.351 380 A HN 0.192 nan 8.150 nan 0.000 0.514 381 R N -0.219 120.261 120.500 -0.033 0.000 2.539 381 R HA 0.537 4.877 4.340 0.001 0.000 0.295 381 R C -2.073 174.197 176.300 -0.049 0.000 1.138 381 R CA -0.206 55.873 56.100 -0.035 0.000 0.936 381 R CB 1.120 31.398 30.300 -0.036 0.000 1.182 381 R HN 0.499 nan 8.270 nan 0.000 0.459 382 V N 3.577 123.460 119.914 -0.050 0.000 2.521 382 V HA 0.593 4.714 4.120 0.001 0.000 0.286 382 V C 0.056 176.093 176.094 -0.096 0.000 1.034 382 V CA 0.616 62.874 62.300 -0.070 0.000 1.045 382 V CB 1.002 32.785 31.823 -0.067 0.000 0.974 382 V HN 0.901 nan 8.190 nan 0.000 0.480 383 A N 5.318 128.061 122.820 -0.128 0.000 2.429 383 A HA 0.848 5.169 4.320 0.001 0.000 0.289 383 A C -0.521 176.904 177.584 -0.265 0.000 1.043 383 A CA -0.620 51.305 52.037 -0.187 0.000 0.722 383 A CB 1.417 20.317 19.000 -0.167 0.000 1.243 383 A HN 1.024 nan 8.150 nan 0.000 0.415 384 N N -0.307 118.170 118.700 -0.372 0.000 3.496 384 N HA 0.339 5.080 4.740 0.001 0.000 0.331 384 N C -1.191 173.921 175.510 -0.663 0.000 1.532 384 N CA -0.603 52.161 53.050 -0.476 0.000 0.863 384 N CB 0.252 38.615 38.487 -0.207 0.000 1.927 384 N HN 0.235 nan 8.380 nan 0.000 0.529 385 Y N -0.387 119.857 120.300 -0.094 0.000 2.736 385 Y HA 0.436 4.986 4.550 0.001 0.000 0.293 385 Y C -0.352 175.535 175.900 -0.023 0.000 1.062 385 Y CA -0.422 57.645 58.100 -0.055 0.000 1.247 385 Y CB 0.315 38.745 38.460 -0.051 0.000 1.200 385 Y HN 0.237 nan 8.280 nan 0.000 0.552 386 Q N 1.103 120.924 119.800 0.035 0.000 2.282 386 Q HA 0.673 5.014 4.340 0.001 0.000 0.260 386 Q C -0.269 175.739 176.000 0.014 0.000 0.964 386 Q CA -0.938 54.884 55.803 0.031 0.000 0.880 386 Q CB 2.226 30.964 28.738 0.001 0.000 1.286 386 Q HN 0.176 nan 8.270 nan 0.000 0.445 387 R N 1.347 121.862 120.500 0.026 0.000 2.817 387 R HA 0.367 4.708 4.340 0.001 0.000 0.268 387 R C -0.580 175.730 176.300 0.016 0.000 1.027 387 R CA -0.623 55.487 56.100 0.017 0.000 0.928 387 R CB 0.921 31.240 30.300 0.031 0.000 1.228 387 R HN 0.703 nan 8.270 nan 0.000 0.469 388 D N -0.034 120.372 120.400 0.010 0.000 3.393 388 D HA -0.225 4.416 4.640 0.001 0.000 0.178 388 D C 0.434 176.739 176.300 0.010 0.000 1.201 388 D CA 2.208 56.214 54.000 0.010 0.000 1.086 388 D CB -1.186 39.624 40.800 0.017 0.000 0.568 388 D HN 0.932 nan 8.370 nan 0.000 0.637 389 G N -0.712 108.097 108.800 0.015 0.000 2.716 389 G HA2 0.118 4.079 3.960 0.001 0.000 0.686 389 G HA3 0.118 4.079 3.960 0.001 0.000 0.686 389 G C -2.668 172.241 174.900 0.015 0.000 1.337 389 G CA -0.261 44.850 45.100 0.019 0.000 0.829 389 G HN 0.556 nan 8.290 nan 0.000 0.599 390 P HA 0.286 nan 4.420 nan 0.000 0.270 390 P C 0.829 178.137 177.300 0.013 0.000 1.223 390 P CA 0.069 63.178 63.100 0.016 0.000 0.785 390 P CB 0.349 32.060 31.700 0.018 0.000 0.923 391 M N -1.736 117.870 119.600 0.010 0.000 2.460 391 M HA -0.176 4.305 4.480 0.001 0.000 0.182 391 M C -0.044 176.258 176.300 0.004 0.000 0.903 391 M CA 0.448 55.753 55.300 0.009 0.000 0.555 391 M CB -2.444 30.164 32.600 0.013 0.000 1.106 391 M HN 0.461 nan 8.290 nan 0.000 0.867 392 C N 3.576 122.876 119.300 0.000 0.000 2.303 392 C HA 0.567 5.028 4.460 0.001 0.000 0.341 392 C C 0.918 175.903 174.990 -0.009 0.000 1.244 392 C CA -0.706 58.308 59.018 -0.006 0.000 1.765 392 C CB 0.128 27.864 27.740 -0.005 0.000 2.379 392 C HN 0.676 nan 8.230 nan 0.000 0.530 393 M N 6.321 125.912 119.600 -0.015 0.000 2.248 393 M HA 0.529 5.010 4.480 0.001 0.000 0.215 393 M C 1.158 177.446 176.300 -0.021 0.000 1.103 393 M CA -0.291 54.999 55.300 -0.017 0.000 1.154 393 M CB -0.020 32.567 32.600 -0.021 0.000 1.218 393 M HN 0.747 nan 8.290 nan 0.000 0.623 394 M N 0.146 119.732 119.600 -0.024 0.000 7.319 394 M HA -0.300 4.181 4.480 0.001 0.000 0.299 394 M C 0.129 176.416 176.300 -0.022 0.000 0.480 394 M CA 2.232 57.516 55.300 -0.026 0.000 1.311 394 M CB -2.315 30.266 32.600 -0.031 0.000 0.421 394 M HN 0.857 nan 8.290 nan 0.000 0.612 395 D N -0.558 119.828 120.400 -0.023 0.000 2.563 395 D HA 0.261 4.901 4.640 0.001 0.000 0.256 395 D C 0.264 176.552 176.300 -0.020 0.000 1.400 395 D CA 0.483 54.471 54.000 -0.020 0.000 0.800 395 D CB -0.447 40.341 40.800 -0.020 0.000 1.145 395 D HN 0.691 nan 8.370 nan 0.000 0.501 396 N N 1.876 120.563 118.700 -0.023 0.000 2.714 396 N HA -0.267 4.474 4.740 0.001 0.000 0.250 396 N C -0.223 175.270 175.510 -0.028 0.000 1.117 396 N CA 1.450 54.487 53.050 -0.022 0.000 0.719 396 N CB -1.038 37.442 38.487 -0.012 0.000 1.081 396 N HN 0.470 nan 8.380 nan 0.000 0.557 397 Q N -4.192 115.585 119.800 -0.038 0.000 2.429 397 Q HA -0.202 4.138 4.340 0.001 0.000 0.232 397 Q C 0.996 176.974 176.000 -0.037 0.000 0.724 397 Q CA 1.462 57.235 55.803 -0.051 0.000 1.287 397 Q CB -1.868 26.826 28.738 -0.073 0.000 1.429 397 Q HN 1.098 nan 8.270 nan 0.000 0.721 398 G N -0.572 108.213 108.800 -0.025 0.000 2.582 398 G HA2 -0.344 3.617 3.960 0.001 0.000 0.288 398 G HA3 -0.344 3.617 3.960 0.001 0.000 0.288 398 G C 0.623 175.517 174.900 -0.011 0.000 1.247 398 G CA 0.581 45.671 45.100 -0.017 0.000 0.972 398 G HN 0.825 nan 8.290 nan 0.000 0.557 399 G N 0.708 109.503 108.800 -0.008 0.000 2.920 399 G HA2 0.561 4.522 3.960 0.001 0.000 0.208 399 G HA3 0.561 4.522 3.960 0.001 0.000 0.208 399 G C 1.019 175.919 174.900 -0.000 0.000 1.159 399 G CA 1.400 46.498 45.100 -0.004 0.000 0.784 399 G HN 1.964 nan 8.290 nan 0.000 0.535 400 A N 1.005 123.823 122.820 -0.003 0.000 2.555 400 A HA 0.423 4.744 4.320 0.001 0.000 0.233 400 A C -1.746 175.860 177.584 0.037 0.000 1.060 400 A CA -0.576 51.465 52.037 0.005 0.000 0.759 400 A CB -0.048 18.934 19.000 -0.030 0.000 0.995 400 A HN 0.208 nan 8.150 nan 0.000 0.506 401 P HA 0.057 nan 4.420 nan 0.000 0.266 401 P C 0.138 177.546 177.300 0.180 0.000 1.195 401 P CA 0.355 63.505 63.100 0.083 0.000 0.768 401 P CB 0.259 31.961 31.700 0.002 0.000 0.838 402 N N 0.864 119.711 118.700 0.244 0.000 2.204 402 N HA 0.075 4.816 4.740 0.001 0.000 0.219 402 N C -0.517 175.167 175.510 0.291 0.000 1.151 402 N CA -0.568 52.678 53.050 0.326 0.000 0.867 402 N CB -0.051 38.568 38.487 0.221 0.000 1.043 402 N HN 0.372 nan 8.380 nan 0.000 0.516 403 Y N -2.262 118.041 120.300 0.005 0.000 2.536 403 Y HA 0.673 5.223 4.550 0.001 0.000 0.347 403 Y C -1.656 173.962 175.900 -0.470 0.000 1.000 403 Y CA -2.038 55.947 58.100 -0.192 0.000 1.051 403 Y CB 0.796 39.211 38.460 -0.075 0.000 1.259 403 Y HN -0.051 nan 8.280 nan 0.000 0.468 404 Y N 3.940 123.827 120.300 -0.688 0.000 2.406 404 Y HA 0.699 5.249 4.550 0.001 0.000 0.340 404 Y C -2.563 173.184 175.900 -0.255 0.000 0.975 404 Y CA -2.715 54.963 58.100 -0.703 0.000 1.056 404 Y CB 1.695 39.609 38.460 -0.910 0.000 1.210 404 Y HN 0.785 nan 8.280 nan 0.000 0.448 405 P HA 0.392 nan 4.420 nan 0.000 0.276 405 P C -1.704 175.419 177.300 -0.296 0.000 1.261 405 P CA -0.413 62.270 63.100 -0.695 0.000 0.800 405 P CB 1.582 32.926 31.700 -0.593 0.000 1.066 406 N N -2.720 115.831 118.700 -0.248 0.000 2.825 406 N HA 0.332 5.073 4.740 0.001 0.000 0.253 406 N C -0.931 174.579 175.510 -0.001 0.000 1.426 406 N CA -0.874 52.129 53.050 -0.079 0.000 0.851 406 N CB 0.798 39.035 38.487 -0.417 0.000 1.470 406 N HN 0.062 nan 8.380 nan 0.000 0.517 407 S N -0.261 115.467 115.700 0.046 0.000 2.624 407 S HA 0.344 4.815 4.470 0.001 0.000 0.246 407 S C -0.950 173.305 174.600 -0.576 0.000 1.072 407 S CA -0.407 57.633 58.200 -0.267 0.000 1.045 407 S CB -0.783 62.190 63.200 -0.379 0.000 0.851 407 S HN 0.505 nan 8.310 nan 0.000 0.480 408 F N 1.811 121.772 119.950 0.018 0.000 2.841 408 F HA 0.208 4.735 4.527 0.001 0.000 0.358 408 F C 0.987 176.802 175.800 0.025 0.000 1.261 408 F CA -0.582 57.435 58.000 0.028 0.000 1.233 408 F CB -0.120 38.907 39.000 0.045 0.000 1.008 408 F HN 0.237 nan 8.300 nan 0.000 0.507 409 S N -0.097 115.662 115.700 0.099 0.000 3.559 409 S HA -0.206 4.265 4.470 0.001 0.000 0.369 409 S C 0.166 174.828 174.600 0.104 0.000 0.987 409 S CA 0.111 58.361 58.200 0.084 0.000 1.187 409 S CB -2.100 61.134 63.200 0.058 0.000 0.914 409 S HN 0.669 nan 8.310 nan 0.000 0.480 410 A N 0.906 123.813 122.820 0.146 0.000 2.242 410 A HA 0.831 5.151 4.320 0.001 0.000 0.304 410 A C -1.940 175.721 177.584 0.129 0.000 1.100 410 A CA -2.058 50.061 52.037 0.137 0.000 0.860 410 A CB -0.322 18.827 19.000 0.248 0.000 1.168 410 A HN 0.412 nan 8.150 nan 0.000 0.503 411 P HA 0.026 nan 4.420 nan 0.000 0.261 411 P C -0.581 176.729 177.300 0.016 0.000 1.158 411 P CA 0.820 63.867 63.100 -0.088 0.000 0.758 411 P CB 0.260 31.761 31.700 -0.331 0.000 0.763 412 E N 2.085 122.315 120.200 0.051 0.000 2.227 412 E HA 0.188 4.539 4.350 0.001 0.000 0.268 412 E C 0.304 176.986 176.600 0.137 0.000 0.907 412 E CA -0.596 55.896 56.400 0.155 0.000 0.786 412 E CB 1.222 31.052 29.700 0.216 0.000 1.191 412 E HN 0.643 nan 8.360 nan 0.000 0.411 413 H N 0.049 119.176 119.070 0.095 0.000 2.660 413 H HA 0.305 4.862 4.556 0.001 0.000 0.374 413 H C -0.300 175.058 175.328 0.049 0.000 1.291 413 H CA -0.854 55.218 56.048 0.040 0.000 1.437 413 H CB 0.854 30.658 29.762 0.069 0.000 1.509 413 H HN 0.082 nan 8.280 nan 0.000 0.614 414 Q N 1.883 121.752 119.800 0.114 0.000 2.400 414 Q HA 0.157 4.498 4.340 0.001 0.000 0.255 414 Q C -1.686 174.278 176.000 -0.060 0.000 1.008 414 Q CA -2.387 53.428 55.803 0.020 0.000 0.841 414 Q CB 1.739 30.487 28.738 0.016 0.000 1.220 414 Q HN 0.644 nan 8.270 nan 0.000 0.474 415 P HA -0.171 nan 4.420 nan 0.000 0.220 415 P C 1.155 178.420 177.300 -0.057 0.000 1.148 415 P CA 1.113 64.144 63.100 -0.116 0.000 0.803 415 P CB 0.355 31.999 31.700 -0.093 0.000 0.782 416 S N 0.423 116.104 115.700 -0.032 0.000 2.399 416 S HA -0.067 4.404 4.470 0.001 0.000 0.231 416 S C 2.010 176.603 174.600 -0.012 0.000 1.022 416 S CA 1.038 59.228 58.200 -0.016 0.000 0.983 416 S CB -1.160 62.035 63.200 -0.008 0.000 0.803 416 S HN 0.160 nan 8.310 nan 0.000 0.480 417 A N 0.568 123.379 122.820 -0.016 0.000 2.238 417 A HA 0.482 4.802 4.320 0.001 0.000 0.208 417 A C 0.748 178.330 177.584 -0.004 0.000 1.177 417 A CA -0.373 51.659 52.037 -0.009 0.000 0.804 417 A CB -0.530 18.465 19.000 -0.008 0.000 0.823 417 A HN 0.563 nan 8.150 nan 0.000 0.482 418 L N 1.323 122.538 121.223 -0.013 0.000 2.525 418 L HA 0.033 4.373 4.340 0.001 0.000 0.278 418 L C 0.433 177.316 176.870 0.022 0.000 1.218 418 L CA -0.418 54.417 54.840 -0.007 0.000 0.878 418 L CB 0.455 42.499 42.059 -0.025 0.000 1.127 418 L HN 0.397 nan 8.230 nan 0.000 0.492 419 E N 1.850 122.072 120.200 0.036 0.000 2.435 419 E HA -0.004 4.347 4.350 0.001 0.000 0.256 419 E C -0.136 176.525 176.600 0.102 0.000 1.245 419 E CA -0.045 56.400 56.400 0.075 0.000 0.989 419 E CB 0.152 29.897 29.700 0.075 0.000 0.983 419 E HN 0.371 nan 8.360 nan 0.000 0.480 420 H N 1.276 120.380 119.070 0.055 0.000 2.646 420 H HA 0.155 4.711 4.556 0.001 0.000 0.325 420 H C -0.514 174.854 175.328 0.066 0.000 1.075 420 H CA -0.625 55.458 56.048 0.059 0.000 1.421 420 H CB 0.502 30.321 29.762 0.095 0.000 1.461 420 H HN 0.380 nan 8.280 nan 0.000 0.525 421 R N 3.579 123.820 120.500 -0.433 0.000 2.205 421 R HA 0.244 4.585 4.340 0.001 0.000 0.342 421 R C -0.708 175.401 176.300 -0.318 0.000 1.058 421 R CA -0.657 55.287 56.100 -0.261 0.000 0.904 421 R CB 0.384 30.579 30.300 -0.175 0.000 1.089 421 R HN 0.344 nan 8.270 nan 0.000 0.471 422 T N 3.451 117.996 114.554 -0.015 0.000 2.801 422 T HA 0.039 4.390 4.350 0.001 0.000 0.306 422 T C -0.442 174.362 174.700 0.174 0.000 1.020 422 T CA -0.516 61.647 62.100 0.105 0.000 0.948 422 T CB 0.178 69.276 68.868 0.382 0.000 0.962 422 T HN 0.445 nan 8.240 nan 0.000 0.465 423 H N 3.493 122.545 119.070 -0.031 0.000 3.001 423 H HA 0.147 4.704 4.556 0.001 0.000 0.334 423 H C -1.132 174.173 175.328 -0.039 0.000 1.034 423 H CA 0.185 56.232 56.048 -0.003 0.000 1.420 423 H CB 0.028 29.759 29.762 -0.052 0.000 1.405 423 H HN 0.447 nan 8.280 nan 0.000 0.593 424 F N 2.010 122.091 119.950 0.218 0.000 2.565 424 F HA 0.303 4.830 4.527 0.001 0.000 0.313 424 F C -0.083 175.842 175.800 0.208 0.000 1.091 424 F CA -0.283 57.851 58.000 0.222 0.000 0.915 424 F CB 2.067 41.121 39.000 0.090 0.000 1.208 424 F HN 0.556 nan 8.300 nan 0.000 0.453 425 S N 2.346 118.286 115.700 0.400 0.000 2.618 425 S HA 0.960 5.431 4.470 0.001 0.000 0.277 425 S C -0.675 174.063 174.600 0.229 0.000 1.138 425 S CA 0.109 58.479 58.200 0.284 0.000 0.844 425 S CB 1.907 65.260 63.200 0.254 0.000 1.127 425 S HN 1.713 nan 8.310 nan 0.000 0.474 426 G N 1.964 110.868 108.800 0.174 0.000 2.334 426 G HA2 0.236 4.197 3.960 0.001 0.000 0.566 426 G HA3 0.236 4.197 3.960 0.001 0.000 0.566 426 G C -1.037 173.968 174.900 0.175 0.000 1.413 426 G CA -0.434 44.756 45.100 0.151 0.000 0.993 426 G HN 0.803 nan 8.290 nan 0.000 0.642 427 D N -1.699 118.831 120.400 0.216 0.000 1.984 427 D HA 0.436 5.076 4.640 0.001 0.000 0.251 427 D C 0.590 177.043 176.300 0.255 0.000 1.191 427 D CA 0.874 55.017 54.000 0.239 0.000 0.951 427 D CB 0.338 41.326 40.800 0.315 0.000 1.290 427 D HN 0.785 nan 8.370 nan 0.000 0.517 428 V N 0.691 120.722 119.914 0.194 0.000 2.671 428 V HA 0.366 4.486 4.120 0.001 0.000 0.292 428 V C -0.635 175.420 176.094 -0.065 0.000 1.115 428 V CA -0.516 61.849 62.300 0.107 0.000 0.918 428 V CB 1.268 33.123 31.823 0.053 0.000 1.036 428 V HN 0.650 nan 8.190 nan 0.000 0.445 429 Q N 4.098 123.748 119.800 -0.250 0.000 3.011 429 Q HA 0.364 4.704 4.340 0.001 0.000 0.299 429 Q C -1.617 173.996 176.000 -0.645 0.000 0.891 429 Q CA -1.182 54.342 55.803 -0.465 0.000 0.792 429 Q CB 1.490 29.905 28.738 -0.539 0.000 1.601 429 Q HN 0.610 nan 8.270 nan 0.000 0.462 430 R N 1.395 121.648 120.500 -0.411 0.000 2.609 430 R HA 0.307 4.647 4.340 0.001 0.000 0.271 430 R C -0.698 175.443 176.300 -0.266 0.000 1.403 430 R CA -0.029 55.928 56.100 -0.238 0.000 1.138 430 R CB -0.650 29.583 30.300 -0.110 0.000 1.142 430 R HN 0.206 nan 8.270 nan 0.000 0.559 431 F N 1.410 121.385 119.950 0.042 0.000 2.459 431 F HA 0.041 4.569 4.527 0.001 0.000 0.346 431 F C 1.564 177.398 175.800 0.056 0.000 1.128 431 F CA -0.356 57.675 58.000 0.052 0.000 1.268 431 F CB 0.290 39.327 39.000 0.062 0.000 1.161 431 F HN 0.423 nan 8.300 nan 0.000 0.583 432 N N 0.370 119.214 118.700 0.239 0.000 2.482 432 N HA 0.053 4.794 4.740 0.001 0.000 0.260 432 N C 0.065 175.674 175.510 0.164 0.000 1.236 432 N CA 0.433 53.579 53.050 0.159 0.000 0.938 432 N CB 0.757 39.320 38.487 0.128 0.000 1.128 432 N HN 0.720 nan 8.380 nan 0.000 0.448 433 S N 0.659 116.437 115.700 0.130 0.000 2.744 433 S HA 0.159 4.629 4.470 0.001 0.000 0.265 433 S C 1.208 175.868 174.600 0.101 0.000 1.065 433 S CA -0.133 58.141 58.200 0.124 0.000 1.191 433 S CB 0.256 63.533 63.200 0.128 0.000 1.150 433 S HN 0.626 nan 8.310 nan 0.000 0.646 434 A N 1.940 124.814 122.820 0.089 0.000 2.259 434 A HA 0.128 4.449 4.320 0.001 0.000 0.212 434 A C 0.352 177.978 177.584 0.069 0.000 1.178 434 A CA 0.392 52.471 52.037 0.070 0.000 0.734 434 A CB -0.719 18.316 19.000 0.059 0.000 0.774 434 A HN 0.673 nan 8.150 nan 0.000 0.481 435 N N -0.391 118.358 118.700 0.082 0.000 2.573 435 N HA 0.451 5.192 4.740 0.001 0.000 0.262 435 N C -1.461 174.108 175.510 0.098 0.000 1.029 435 N CA -0.272 52.827 53.050 0.082 0.000 0.882 435 N CB 1.144 39.679 38.487 0.080 0.000 1.204 435 N HN 0.132 nan 8.380 nan 0.000 0.519 436 D N 1.139 121.599 120.400 0.100 0.000 2.969 436 D HA 0.019 4.660 4.640 0.001 0.000 0.317 436 D C -1.599 174.786 176.300 0.142 0.000 1.650 436 D CA -0.150 53.929 54.000 0.131 0.000 0.789 436 D CB 0.258 41.126 40.800 0.113 0.000 1.277 436 D HN 0.646 nan 8.370 nan 0.000 0.463 437 D N 0.561 121.034 120.400 0.121 0.000 4.733 437 D HA -0.192 4.449 4.640 0.001 0.000 0.239 437 D C -0.854 175.482 176.300 0.059 0.000 1.075 437 D CA 0.648 54.717 54.000 0.115 0.000 1.258 437 D CB -0.732 40.194 40.800 0.209 0.000 0.761 437 D HN 0.415 nan 8.370 nan 0.000 0.378 438 N N 2.614 121.334 118.700 0.033 0.000 2.451 438 N HA 0.258 4.999 4.740 0.001 0.000 0.264 438 N C 0.812 176.310 175.510 -0.021 0.000 1.167 438 N CA 0.257 53.303 53.050 -0.006 0.000 0.898 438 N CB 0.843 39.334 38.487 0.007 0.000 1.176 438 N HN 0.357 nan 8.380 nan 0.000 0.507 439 V N -5.745 114.164 119.914 -0.009 0.000 3.157 439 V HA 0.067 4.188 4.120 0.001 0.000 0.253 439 V C 1.732 177.826 176.094 -0.001 0.000 1.637 439 V CA -0.045 62.253 62.300 -0.003 0.000 1.058 439 V CB 0.174 32.019 31.823 0.037 0.000 0.917 439 V HN -0.007 nan 8.190 nan 0.000 0.417 440 T N 1.140 115.718 114.554 0.039 0.000 2.474 440 T HA -0.229 4.121 4.350 0.001 0.000 0.254 440 T C 1.876 176.586 174.700 0.017 0.000 1.191 440 T CA 2.771 64.917 62.100 0.076 0.000 1.231 440 T CB -0.474 68.524 68.868 0.217 0.000 0.865 440 T HN 0.571 nan 8.240 nan 0.000 0.398 441 Q N 0.527 120.311 119.800 -0.027 0.000 2.156 441 Q HA -0.167 4.174 4.340 0.001 0.000 0.211 441 Q C 2.545 178.397 176.000 -0.246 0.000 0.995 441 Q CA 1.795 57.514 55.803 -0.141 0.000 0.877 441 Q CB -1.007 27.537 28.738 -0.324 0.000 0.920 441 Q HN 0.463 nan 8.270 nan 0.000 0.416 442 V N 0.780 120.462 119.914 -0.386 0.000 2.282 442 V HA -0.313 3.807 4.120 0.001 0.000 0.249 442 V C 2.315 178.441 176.094 0.055 0.000 1.057 442 V CA 2.246 64.426 62.300 -0.201 0.000 1.032 442 V CB -0.773 30.964 31.823 -0.143 0.000 0.645 442 V HN 0.298 nan 8.190 nan 0.000 0.447 443 R N 0.186 120.717 120.500 0.051 0.000 2.083 443 R HA -0.137 4.204 4.340 0.001 0.000 0.237 443 R C 2.092 178.470 176.300 0.130 0.000 1.137 443 R CA 1.898 58.063 56.100 0.109 0.000 0.951 443 R CB -0.723 29.625 30.300 0.081 0.000 0.851 443 R HN 0.554 nan 8.270 nan 0.000 0.434 444 T N 0.534 115.157 114.554 0.115 0.000 3.570 444 T HA -0.083 4.268 4.350 0.001 0.000 0.258 444 T C 0.425 175.262 174.700 0.229 0.000 1.178 444 T CA 0.584 62.762 62.100 0.130 0.000 1.002 444 T CB -0.203 68.736 68.868 0.119 0.000 0.993 444 T HN 0.167 nan 8.240 nan 0.000 0.567 445 F N -0.550 119.422 119.950 0.036 0.000 2.347 445 F HA 0.286 4.813 4.527 0.001 0.000 0.266 445 F C 1.408 177.221 175.800 0.022 0.000 0.884 445 F CA -0.965 57.055 58.000 0.034 0.000 1.123 445 F CB -0.350 38.693 39.000 0.071 0.000 1.098 445 F HN 0.066 nan 8.300 nan 0.000 0.803 446 Y N 1.392 121.630 120.300 -0.103 0.000 2.651 446 Y HA -0.048 4.503 4.550 0.001 0.000 0.293 446 Y C 0.994 176.778 175.900 -0.193 0.000 1.151 446 Y CA 1.740 59.677 58.100 -0.271 0.000 1.362 446 Y CB -0.189 38.089 38.460 -0.303 0.000 0.973 446 Y HN 0.183 nan 8.280 nan 0.000 0.561 447 L N -2.675 118.464 121.223 -0.141 0.000 2.746 447 L HA 0.202 4.543 4.340 0.001 0.000 0.230 447 L C 1.827 178.619 176.870 -0.131 0.000 1.034 447 L CA 0.038 54.764 54.840 -0.190 0.000 0.922 447 L CB -0.267 41.712 42.059 -0.134 0.000 1.496 447 L HN -0.294 nan 8.230 nan 0.000 0.498 448 K N 1.201 121.567 120.400 -0.057 0.000 2.054 448 K HA 0.122 4.443 4.320 0.001 0.000 0.207 448 K C 1.612 178.191 176.600 -0.034 0.000 1.031 448 K CA 1.213 57.484 56.287 -0.028 0.000 0.952 448 K CB -0.239 32.278 32.500 0.028 0.000 0.775 448 K HN -0.039 nan 8.250 nan 0.000 0.447 449 V N 1.273 121.202 119.914 0.025 0.000 3.444 449 V HA 0.056 4.177 4.120 0.001 0.000 0.271 449 V C 0.043 176.037 176.094 -0.168 0.000 1.188 449 V CA 0.416 62.734 62.300 0.030 0.000 1.168 449 V CB -0.528 31.468 31.823 0.288 0.000 0.810 449 V HN 0.095 nan 8.190 nan 0.000 0.500 450 L N 2.135 123.186 121.223 -0.288 0.000 2.372 450 L HA 0.456 4.796 4.340 0.001 0.000 0.274 450 L C 0.072 176.788 176.870 -0.256 0.000 0.988 450 L CA -0.332 54.282 54.840 -0.377 0.000 0.833 450 L CB 1.570 43.255 42.059 -0.625 0.000 1.236 450 L HN 0.246 nan 8.230 nan 0.000 0.410 451 N N 2.319 120.906 118.700 -0.188 0.000 2.415 451 N HA -0.090 4.650 4.740 0.001 0.000 0.248 451 N C 0.858 176.273 175.510 -0.157 0.000 1.271 451 N CA 0.310 53.274 53.050 -0.144 0.000 0.913 451 N CB 1.062 39.490 38.487 -0.099 0.000 1.129 451 N HN 0.746 nan 8.380 nan 0.000 0.444 452 E N 1.172 121.291 120.200 -0.136 0.000 2.049 452 E HA -0.275 4.075 4.350 0.001 0.000 0.198 452 E C 1.196 177.739 176.600 -0.094 0.000 1.007 452 E CA 1.697 58.019 56.400 -0.131 0.000 0.809 452 E CB -0.215 29.428 29.700 -0.096 0.000 0.749 452 E HN 0.634 nan 8.360 nan 0.000 0.450 453 E N 0.521 120.682 120.200 -0.066 0.000 2.065 453 E HA -0.261 4.090 4.350 0.001 0.000 0.201 453 E C 2.125 178.708 176.600 -0.028 0.000 1.016 453 E CA 2.008 58.386 56.400 -0.037 0.000 0.818 453 E CB -0.475 29.208 29.700 -0.029 0.000 0.749 453 E HN 0.630 nan 8.360 nan 0.000 0.453 454 Q N 0.037 119.806 119.800 -0.051 0.000 2.045 454 Q HA -0.185 4.155 4.340 0.001 0.000 0.206 454 Q C 2.375 178.363 176.000 -0.019 0.000 0.991 454 Q CA 1.351 57.130 55.803 -0.040 0.000 0.851 454 Q CB -0.657 28.024 28.738 -0.094 0.000 0.911 454 Q HN 0.208 nan 8.270 nan 0.000 0.418 455 R N 1.094 121.552 120.500 -0.071 0.000 2.133 455 R HA -0.182 4.158 4.340 0.001 0.000 0.247 455 R C 2.508 178.858 176.300 0.082 0.000 1.151 455 R CA 1.921 58.006 56.100 -0.026 0.000 0.971 455 R CB -0.261 29.924 30.300 -0.192 0.000 0.866 455 R HN 0.301 nan 8.270 nan 0.000 0.447 456 K N 1.269 121.697 120.400 0.046 0.000 1.969 456 K HA -0.235 4.086 4.320 0.001 0.000 0.216 456 K C 2.001 178.668 176.600 0.111 0.000 1.048 456 K CA 2.096 58.428 56.287 0.075 0.000 0.948 456 K CB -0.190 32.335 32.500 0.041 0.000 0.726 456 K HN 0.225 nan 8.250 nan 0.000 0.442 457 R N 0.894 121.454 120.500 0.100 0.000 2.120 457 R HA -0.109 4.232 4.340 0.001 0.000 0.234 457 R C 2.606 179.014 176.300 0.180 0.000 1.123 457 R CA 1.206 57.384 56.100 0.130 0.000 0.975 457 R CB -0.922 29.443 30.300 0.109 0.000 0.866 457 R HN 0.262 nan 8.270 nan 0.000 0.446 458 L N 1.428 122.760 121.223 0.182 0.000 1.971 458 L HA -0.181 4.160 4.340 0.001 0.000 0.215 458 L C 2.171 179.207 176.870 0.275 0.000 1.072 458 L CA 1.611 56.598 54.840 0.245 0.000 0.758 458 L CB -1.011 41.177 42.059 0.215 0.000 0.889 458 L HN 0.242 nan 8.230 nan 0.000 0.433 459 C N 0.238 119.708 119.300 0.283 0.000 2.401 459 C HA -0.173 4.288 4.460 0.001 0.000 0.276 459 C C 2.636 177.749 174.990 0.204 0.000 1.233 459 C CA 1.298 60.483 59.018 0.279 0.000 1.753 459 C CB -1.134 26.779 27.740 0.287 0.000 2.029 459 C HN 0.661 nan 8.230 nan 0.000 0.478 460 E N 0.434 120.756 120.200 0.204 0.000 2.118 460 E HA -0.198 4.153 4.350 0.001 0.000 0.195 460 E C 1.742 178.482 176.600 0.232 0.000 0.992 460 E CA 1.342 57.871 56.400 0.216 0.000 0.804 460 E CB -0.320 29.495 29.700 0.191 0.000 0.741 460 E HN 0.731 nan 8.360 nan 0.000 0.458 461 N N 0.624 119.478 118.700 0.256 0.000 2.039 461 N HA -0.132 4.609 4.740 0.001 0.000 0.193 461 N C 2.004 177.686 175.510 0.285 0.000 1.044 461 N CA 0.913 54.172 53.050 0.348 0.000 0.847 461 N CB -0.115 38.678 38.487 0.511 0.000 1.030 461 N HN 0.043 nan 8.380 nan 0.000 0.422 462 I N 1.224 121.828 120.570 0.056 0.000 2.194 462 I HA -0.307 3.863 4.170 0.001 0.000 0.246 462 I C 2.442 178.473 176.117 -0.144 0.000 1.093 462 I CA 0.986 62.139 61.300 -0.245 0.000 1.355 462 I CB -0.348 37.544 38.000 -0.180 0.000 1.046 462 I HN 0.214 nan 8.210 nan 0.000 0.413 463 A N 0.784 123.565 122.820 -0.064 0.000 1.873 463 A HA -0.090 4.231 4.320 0.001 0.000 0.215 463 A C 2.466 179.863 177.584 -0.312 0.000 1.186 463 A CA 1.681 53.642 52.037 -0.128 0.000 0.616 463 A CB -1.431 17.652 19.000 0.139 0.000 0.823 463 A HN 0.449 nan 8.150 nan 0.000 0.442 464 G N -1.611 107.086 108.800 -0.172 0.000 2.475 464 G HA2 -0.306 3.655 3.960 0.001 0.000 0.220 464 G HA3 -0.306 3.655 3.960 0.001 0.000 0.220 464 G C 1.635 176.470 174.900 -0.109 0.000 1.125 464 G CA 1.398 46.346 45.100 -0.253 0.000 0.755 464 G HN 0.660 nan 8.290 nan 0.000 0.565 465 H N -0.198 118.883 119.070 0.018 0.000 2.316 465 H HA 0.103 4.659 4.556 0.001 0.000 0.314 465 H C 2.449 177.806 175.328 0.050 0.000 1.057 465 H CA 0.935 57.101 56.048 0.197 0.000 1.402 465 H CB -0.456 29.661 29.762 0.591 0.000 1.443 465 H HN 0.146 nan 8.280 nan 0.000 0.559 466 L N 2.789 124.025 121.223 0.023 0.000 2.197 466 L HA -0.207 4.134 4.340 0.001 0.000 0.215 466 L C 2.290 178.923 176.870 -0.394 0.000 1.095 466 L CA 2.355 56.792 54.840 -0.671 0.000 0.764 466 L CB -0.940 40.381 42.059 -1.231 0.000 0.897 466 L HN 0.372 nan 8.230 nan 0.000 0.436 467 K N -1.382 118.828 120.400 -0.318 0.000 2.293 467 K HA -0.186 4.135 4.320 0.001 0.000 0.204 467 K C 1.246 177.745 176.600 -0.170 0.000 1.045 467 K CA 1.988 58.106 56.287 -0.282 0.000 0.933 467 K CB -0.620 31.591 32.500 -0.483 0.000 0.736 467 K HN 0.357 nan 8.250 nan 0.000 0.463 468 D N 0.320 120.647 120.400 -0.122 0.000 2.328 468 D HA 0.176 4.816 4.640 0.001 0.000 0.221 468 D C -0.190 176.099 176.300 -0.018 0.000 1.072 468 D CA 0.342 54.308 54.000 -0.056 0.000 0.850 468 D CB 0.509 41.282 40.800 -0.044 0.000 0.922 468 D HN 0.433 nan 8.370 nan 0.000 0.516 469 A N 0.443 123.226 122.820 -0.061 0.000 2.293 469 A HA 0.339 4.660 4.320 0.001 0.000 0.302 469 A C 0.351 177.888 177.584 -0.079 0.000 1.119 469 A CA -0.464 51.547 52.037 -0.042 0.000 0.823 469 A CB 0.874 19.820 19.000 -0.090 0.000 1.097 469 A HN -0.004 nan 8.150 nan 0.000 0.491 470 Q N 0.400 120.175 119.800 -0.043 0.000 2.304 470 Q HA 0.043 4.383 4.340 0.001 0.000 0.315 470 Q C 0.746 176.692 176.000 -0.091 0.000 1.075 470 Q CA -0.130 55.675 55.803 0.004 0.000 0.988 470 Q CB 0.208 29.047 28.738 0.169 0.000 1.146 470 Q HN 0.690 nan 8.270 nan 0.000 0.383 471 L N 4.706 125.928 121.223 -0.002 0.000 1.976 471 L HA -0.294 4.047 4.340 0.001 0.000 0.223 471 L C 1.810 178.651 176.870 -0.050 0.000 1.081 471 L CA 2.246 57.071 54.840 -0.025 0.000 0.784 471 L CB -1.319 40.761 42.059 0.034 0.000 0.896 471 L HN 0.948 nan 8.230 nan 0.000 0.438 472 F N -1.145 118.789 119.950 -0.026 0.000 2.184 472 F HA -0.252 4.275 4.527 0.001 0.000 0.301 472 F C 2.222 178.009 175.800 -0.021 0.000 1.076 472 F CA 1.482 59.470 58.000 -0.020 0.000 1.295 472 F CB -0.946 38.052 39.000 -0.004 0.000 1.026 472 F HN 0.097 nan 8.300 nan 0.000 0.494 473 I N 0.932 120.826 120.570 -1.127 0.000 2.163 473 I HA -0.296 3.875 4.170 0.001 0.000 0.240 473 I C 2.729 178.583 176.117 -0.439 0.000 1.081 473 I CA 1.728 62.475 61.300 -0.922 0.000 1.353 473 I CB -0.652 36.956 38.000 -0.654 0.000 1.054 473 I HN 0.260 nan 8.210 nan 0.000 0.407 474 Q N 0.770 120.344 119.800 -0.376 0.000 2.062 474 Q HA -0.276 4.065 4.340 0.001 0.000 0.209 474 Q C 2.119 177.939 176.000 -0.299 0.000 0.996 474 Q CA 1.377 56.962 55.803 -0.363 0.000 0.859 474 Q CB -0.617 27.940 28.738 -0.301 0.000 0.920 474 Q HN 0.480 nan 8.270 nan 0.000 0.415 475 K N 1.544 121.823 120.400 -0.201 0.000 2.030 475 K HA -0.211 4.109 4.320 0.001 0.000 0.222 475 K C 1.987 178.507 176.600 -0.133 0.000 1.056 475 K CA 1.867 58.077 56.287 -0.128 0.000 0.957 475 K CB -0.502 31.976 32.500 -0.037 0.000 0.727 475 K HN 0.357 nan 8.250 nan 0.000 0.452 476 K N 0.622 120.957 120.400 -0.109 0.000 2.057 476 K HA -0.090 4.231 4.320 0.001 0.000 0.207 476 K C 2.436 178.970 176.600 -0.110 0.000 1.049 476 K CA 1.229 57.477 56.287 -0.065 0.000 0.931 476 K CB -0.379 32.111 32.500 -0.017 0.000 0.714 476 K HN 0.190 nan 8.250 nan 0.000 0.440 477 A N 1.777 124.475 122.820 -0.203 0.000 1.869 477 A HA -0.195 4.126 4.320 0.001 0.000 0.218 477 A C 2.536 179.755 177.584 -0.609 0.000 1.203 477 A CA 2.025 53.854 52.037 -0.346 0.000 0.638 477 A CB -1.083 17.594 19.000 -0.537 0.000 0.831 477 A HN 0.108 nan 8.150 nan 0.000 0.450 478 V N 0.861 120.418 119.914 -0.594 0.000 2.287 478 V HA -0.327 3.793 4.120 0.001 0.000 0.248 478 V C 2.653 178.615 176.094 -0.220 0.000 1.053 478 V CA 2.817 64.803 62.300 -0.523 0.000 1.027 478 V CB -0.753 30.861 31.823 -0.349 0.000 0.646 478 V HN 0.871 nan 8.190 nan 0.000 0.447 479 K N 1.507 121.826 120.400 -0.134 0.000 2.077 479 K HA -0.289 4.032 4.320 0.001 0.000 0.213 479 K C 1.507 178.124 176.600 0.029 0.000 1.051 479 K CA 2.828 59.093 56.287 -0.037 0.000 0.929 479 K CB -0.872 31.617 32.500 -0.019 0.000 0.715 479 K HN 0.691 nan 8.250 nan 0.000 0.451 480 N N -0.870 117.880 118.700 0.083 0.000 2.142 480 N HA -0.081 4.660 4.740 0.001 0.000 0.186 480 N C 1.569 177.209 175.510 0.218 0.000 1.023 480 N CA 1.220 54.368 53.050 0.164 0.000 0.852 480 N CB -0.259 38.363 38.487 0.225 0.000 0.998 480 N HN 0.046 nan 8.380 nan 0.000 0.424 481 F N 1.520 121.355 119.950 -0.193 0.000 2.102 481 F HA -0.085 4.443 4.527 0.001 0.000 0.298 481 F C 2.606 178.292 175.800 -0.190 0.000 1.105 481 F CA 0.712 58.497 58.000 -0.359 0.000 1.239 481 F CB -0.942 37.598 39.000 -0.766 0.000 0.991 481 F HN -0.051 nan 8.300 nan 0.000 0.474 482 S N -0.525 115.206 115.700 0.052 0.000 2.423 482 S HA -0.158 4.313 4.470 0.001 0.000 0.231 482 S C 1.487 176.130 174.600 0.073 0.000 1.014 482 S CA 1.135 59.351 58.200 0.027 0.000 0.965 482 S CB -0.375 62.820 63.200 -0.008 0.000 0.785 482 S HN 0.297 nan 8.310 nan 0.000 0.495 483 D N 0.955 121.401 120.400 0.077 0.000 2.263 483 D HA -0.054 4.586 4.640 0.001 0.000 0.208 483 D C 1.776 178.135 176.300 0.098 0.000 0.971 483 D CA 0.510 54.557 54.000 0.078 0.000 0.867 483 D CB -0.105 40.736 40.800 0.069 0.000 0.929 483 D HN 0.225 nan 8.370 nan 0.000 0.492 484 V N -0.783 119.202 119.914 0.119 0.000 2.273 484 V HA -0.042 4.078 4.120 0.001 0.000 0.242 484 V C 1.000 177.229 176.094 0.224 0.000 1.035 484 V CA 1.173 63.558 62.300 0.141 0.000 1.013 484 V CB -0.313 31.610 31.823 0.166 0.000 0.652 484 V HN 0.389 nan 8.190 nan 0.000 0.452 485 H N -1.069 118.077 119.070 0.127 0.000 3.159 485 H HA 0.136 4.692 4.556 0.001 0.000 0.313 485 H C -2.664 172.767 175.328 0.171 0.000 1.071 485 H CA -1.085 55.051 56.048 0.148 0.000 1.451 485 H CB 2.316 32.202 29.762 0.206 0.000 2.075 485 H HN -0.096 nan 8.280 nan 0.000 0.443 486 P HA -0.339 nan 4.420 nan 0.000 0.218 486 P C 1.351 178.496 177.300 -0.258 0.000 1.132 486 P CA 2.120 65.175 63.100 -0.075 0.000 0.968 486 P CB 0.034 31.790 31.700 0.095 0.000 0.783 487 E N -1.915 117.988 120.200 -0.496 0.000 2.219 487 E HA -0.264 4.086 4.350 0.001 0.000 0.198 487 E C 1.967 178.536 176.600 -0.052 0.000 0.998 487 E CA 0.974 57.256 56.400 -0.197 0.000 0.818 487 E CB -0.467 29.276 29.700 0.072 0.000 0.741 487 E HN 0.140 nan 8.360 nan 0.000 0.477 488 Y N 0.952 120.989 120.300 -0.439 0.000 2.062 488 Y HA -0.102 4.448 4.550 0.001 0.000 0.272 488 Y C 2.444 178.271 175.900 -0.122 0.000 1.117 488 Y CA 1.972 59.857 58.100 -0.359 0.000 1.095 488 Y CB -1.130 36.861 38.460 -0.781 0.000 0.985 488 Y HN 0.073 nan 8.280 nan 0.000 0.479 489 G N -0.995 107.735 108.800 -0.118 0.000 2.450 489 G HA2 -0.315 3.646 3.960 0.001 0.000 0.220 489 G HA3 -0.315 3.646 3.960 0.001 0.000 0.220 489 G C 2.011 176.842 174.900 -0.115 0.000 1.130 489 G CA 1.421 46.419 45.100 -0.171 0.000 0.760 489 G HN 0.512 nan 8.290 nan 0.000 0.557 490 S N 0.523 116.188 115.700 -0.059 0.000 2.354 490 S HA -0.162 4.308 4.470 0.001 0.000 0.219 490 S C 2.490 177.088 174.600 -0.002 0.000 1.035 490 S CA 1.591 59.774 58.200 -0.029 0.000 1.037 490 S CB -0.331 62.864 63.200 -0.009 0.000 0.956 490 S HN 0.484 nan 8.310 nan 0.000 0.428 491 R N 0.625 121.159 120.500 0.057 0.000 2.134 491 R HA -0.141 4.200 4.340 0.001 0.000 0.248 491 R C 2.346 178.677 176.300 0.052 0.000 1.143 491 R CA 1.978 58.131 56.100 0.089 0.000 0.957 491 R CB -0.864 29.550 30.300 0.190 0.000 0.867 491 R HN 0.468 nan 8.270 nan 0.000 0.441 492 I N 0.862 121.444 120.570 0.020 0.000 2.058 492 I HA -0.289 3.881 4.170 0.001 0.000 0.235 492 I C 2.493 178.562 176.117 -0.079 0.000 1.053 492 I CA 1.474 62.744 61.300 -0.051 0.000 1.313 492 I CB -1.495 36.385 38.000 -0.200 0.000 1.039 492 I HN 0.155 nan 8.210 nan 0.000 0.396 493 Q N 1.084 120.812 119.800 -0.121 0.000 2.268 493 Q HA -0.229 4.111 4.340 0.001 0.000 0.213 493 Q C 2.083 178.048 176.000 -0.058 0.000 0.995 493 Q CA 2.629 58.366 55.803 -0.110 0.000 0.901 493 Q CB -0.347 28.330 28.738 -0.102 0.000 0.921 493 Q HN 0.560 nan 8.270 nan 0.000 0.421 494 A N -0.537 122.263 122.820 -0.033 0.000 1.840 494 A HA -0.070 4.251 4.320 0.001 0.000 0.214 494 A C 2.031 179.603 177.584 -0.020 0.000 1.198 494 A CA 1.197 53.221 52.037 -0.022 0.000 0.608 494 A CB -0.808 18.186 19.000 -0.010 0.000 0.839 494 A HN 0.403 nan 8.150 nan 0.000 0.443 495 L N -0.225 120.999 121.223 0.003 0.000 2.137 495 L HA -0.237 4.104 4.340 0.001 0.000 0.213 495 L C 2.359 179.294 176.870 0.108 0.000 1.085 495 L CA 0.713 55.567 54.840 0.023 0.000 0.760 495 L CB -0.641 41.498 42.059 0.133 0.000 0.893 495 L HN 0.300 nan 8.230 nan 0.000 0.434 496 L N 0.141 121.419 121.223 0.092 0.000 1.899 496 L HA -0.270 4.071 4.340 0.001 0.000 0.223 496 L C 2.276 179.197 176.870 0.086 0.000 1.088 496 L CA 2.341 57.240 54.840 0.097 0.000 0.788 496 L CB -1.550 40.484 42.059 -0.042 0.000 0.889 496 L HN 0.368 nan 8.230 nan 0.000 0.431 497 D N -0.750 119.657 120.400 0.012 0.000 2.276 497 D HA -0.273 4.368 4.640 0.001 0.000 0.200 497 D C 1.991 178.291 176.300 -0.001 0.000 1.004 497 D CA 1.427 55.428 54.000 0.001 0.000 0.898 497 D CB -0.162 40.628 40.800 -0.017 0.000 0.906 497 D HN 0.364 nan 8.370 nan 0.000 0.457 498 K N -0.371 120.011 120.400 -0.030 0.000 2.007 498 K HA -0.136 4.185 4.320 0.001 0.000 0.206 498 K C 1.728 178.290 176.600 -0.063 0.000 1.047 498 K CA 0.809 57.041 56.287 -0.092 0.000 0.937 498 K CB -0.180 32.199 32.500 -0.202 0.000 0.718 498 K HN 0.145 nan 8.250 nan 0.000 0.438 499 Y N 1.415 121.701 120.300 -0.024 0.000 2.315 499 Y HA -0.159 4.392 4.550 0.001 0.000 0.288 499 Y C 0.913 176.800 175.900 -0.022 0.000 1.154 499 Y CA 1.222 59.309 58.100 -0.021 0.000 1.229 499 Y CB -0.366 38.078 38.460 -0.027 0.000 0.980 499 Y HN 0.211 nan 8.280 nan 0.000 0.540 500 N N 1.177 119.950 118.700 0.122 0.000 2.509 500 N HA 0.077 4.818 4.740 0.001 0.000 0.239 500 N C -0.415 175.116 175.510 0.036 0.000 1.215 500 N CA 0.180 53.266 53.050 0.060 0.000 0.882 500 N CB -0.779 37.728 38.487 0.032 0.000 1.189 500 N HN 0.316 nan 8.380 nan 0.000 0.490 501 E N 0.000 120.223 120.200 0.038 0.000 2.725 501 E HA 0.000 4.351 4.350 0.001 0.000 0.291 501 E CA 0.000 56.410 56.400 0.017 0.000 0.976 501 E CB 0.000 29.712 29.700 0.020 0.000 0.812 501 E HN 0.000 nan 8.360 nan 0.000 0.440