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 1z7z_1_I DATA FIRST_RESID 1 DATA SEQUENCE QTSVSPSKVI LPRGGSVLVT cSTScDQPML LGIETPLPKK ELLLPGNNRK DATA SEQUENCE VYELSNVQED SQPMcYSNcP DGQSTAKTFL TVYWTPERVE LAPLPSWQPV DATA SEQUENCE GKNLTLRcQV EGGAPRANLT VVLLRGEKEL KREPAVGEPA EVTTTVLVRR DATA SEQUENCE DHHGANFScR TELDLRPQGL ELFENTSAPY QLQTFVLPAT PPQLVSPRVL DATA SEQUENCE EVDTQGTVVc SLDGLFPVSE AQVHLALGDQ RLNPTVTYGN DSFSAKASVS DATA SEQUENCE VTAEDEGTQR LTcAVILGNQ SQETLQTVTI YSFPAPNVIL TKPEVSEGTE DATA SEQUENCE VTVKcEAXXX XXXXXXXXXX XXXGPRAQLL LKATPEDNGR SFScSATLEV DATA SEQUENCE AGQLIHKNQT RELRVLYGPR LDERDcPGNW TWPENSQQTP McQAWGNPLP DATA SEQUENCE ELKcLKDGTF PLPIGESVTV TRDLEGTYLc RARSTQGEVT REVTVNVLSP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.017 176.000 0.028 0.000 1.003 1 Q CA 0.000 55.817 55.803 0.024 0.000 1.022 1 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 2 T N 1.147 115.721 114.554 0.034 0.000 2.831 2 T HA 0.480 4.830 4.350 0.000 0.000 0.291 2 T C -0.454 174.270 174.700 0.039 0.000 0.981 2 T CA 0.203 62.326 62.100 0.038 0.000 1.174 2 T CB -0.111 68.785 68.868 0.048 0.000 0.929 2 T HN 0.354 nan 8.240 nan 0.000 0.532 3 S N 1.874 117.597 115.700 0.037 0.000 2.549 3 S HA 0.703 5.173 4.470 0.000 0.000 0.280 3 S C -0.882 173.744 174.600 0.044 0.000 1.109 3 S CA -0.796 57.427 58.200 0.039 0.000 0.905 3 S CB 2.254 65.474 63.200 0.032 0.000 1.081 3 S HN 0.633 nan 8.310 nan 0.000 0.477 4 V N 1.735 121.679 119.914 0.050 0.000 2.789 4 V HA 0.888 5.008 4.120 0.000 0.000 0.311 4 V C -1.082 175.045 176.094 0.056 0.000 1.073 4 V CA -0.171 62.162 62.300 0.056 0.000 0.921 4 V CB 2.151 34.010 31.823 0.061 0.000 1.009 4 V HN 0.851 nan 8.190 nan 0.000 0.426 5 S N 7.101 122.834 115.700 0.055 0.000 2.668 5 S HA 0.717 5.187 4.470 0.000 0.000 0.277 5 S C -2.981 171.651 174.600 0.054 0.000 1.170 5 S CA -1.014 57.217 58.200 0.051 0.000 0.994 5 S CB 2.207 65.430 63.200 0.039 0.000 1.051 5 S HN 0.667 nan 8.310 nan 0.000 0.484 6 P HA 0.227 nan 4.420 nan 0.000 0.272 6 P C 0.355 177.701 177.300 0.077 0.000 1.230 6 P CA -0.376 62.761 63.100 0.062 0.000 0.788 6 P CB 0.627 32.365 31.700 0.063 0.000 0.949 7 S N -0.636 115.115 115.700 0.085 0.000 2.503 7 S HA 0.113 4.583 4.470 0.000 0.000 0.217 7 S C 0.527 175.225 174.600 0.164 0.000 0.999 7 S CA 0.398 58.670 58.200 0.119 0.000 0.914 7 S CB -0.283 62.977 63.200 0.100 0.000 0.782 7 S HN 0.402 nan 8.310 nan 0.000 0.520 8 K N 1.384 121.857 120.400 0.123 0.000 2.535 8 K HA 0.601 4.921 4.320 0.000 0.000 0.250 8 K C -1.549 175.115 176.600 0.108 0.000 0.948 8 K CA -0.638 55.729 56.287 0.133 0.000 0.796 8 K CB 1.898 34.444 32.500 0.076 0.000 1.216 8 K HN 0.032 nan 8.250 nan 0.000 0.432 9 V N 3.950 123.937 119.914 0.120 0.000 2.823 9 V HA 0.627 4.747 4.120 0.000 0.000 0.312 9 V C -0.474 175.694 176.094 0.122 0.000 1.072 9 V CA -0.992 61.372 62.300 0.106 0.000 0.937 9 V CB 1.848 33.727 31.823 0.093 0.000 1.013 9 V HN 0.866 nan 8.190 nan 0.000 0.430 10 I N 4.377 125.027 120.570 0.133 0.000 2.465 10 I HA 0.783 4.953 4.170 0.000 0.000 0.291 10 I C -1.079 175.172 176.117 0.224 0.000 1.014 10 I CA -0.732 60.679 61.300 0.185 0.000 1.093 10 I CB 1.557 39.666 38.000 0.182 0.000 1.267 10 I HN 0.839 nan 8.210 nan 0.000 0.431 11 L N 6.232 127.590 121.223 0.224 0.000 2.479 11 L HA 0.825 5.165 4.340 0.000 0.000 0.255 11 L C -2.933 173.843 176.870 -0.158 0.000 1.026 11 L CA -1.808 53.103 54.840 0.119 0.000 0.842 11 L CB 1.992 44.080 42.059 0.047 0.000 1.444 11 L HN 0.249 nan 8.230 nan 0.000 0.409 12 P HA 0.113 nan 4.420 nan 0.000 0.274 12 P C -1.063 176.000 177.300 -0.395 0.000 1.237 12 P CA -0.376 62.193 63.100 -0.885 0.000 0.793 12 P CB 0.805 32.117 31.700 -0.647 0.000 0.977 13 R N 1.151 121.453 120.500 -0.330 0.000 2.473 13 R HA 0.242 4.582 4.340 0.000 0.000 0.315 13 R C 1.091 177.302 176.300 -0.147 0.000 0.972 13 R CA 1.337 57.333 56.100 -0.172 0.000 1.047 13 R CB -1.260 28.956 30.300 -0.140 0.000 0.932 13 R HN 0.867 nan 8.270 nan 0.000 0.411 14 G N 2.416 111.151 108.800 -0.108 0.000 2.179 14 G HA2 -0.217 3.743 3.960 0.000 0.000 0.220 14 G HA3 -0.217 3.743 3.960 0.000 0.000 0.220 14 G C 0.307 175.166 174.900 -0.068 0.000 0.990 14 G CA -0.307 44.742 45.100 -0.084 0.000 0.646 14 G HN 0.938 nan 8.290 nan 0.000 0.517 15 G N 0.030 108.785 108.800 -0.074 0.000 2.599 15 G HA2 0.544 4.504 3.960 0.000 0.000 0.264 15 G HA3 0.544 4.504 3.960 0.000 0.000 0.264 15 G C 0.288 175.172 174.900 -0.026 0.000 1.200 15 G CA 0.676 45.747 45.100 -0.049 0.000 0.896 15 G HN 0.718 nan 8.290 nan 0.000 0.536 16 S N -1.698 113.996 115.700 -0.010 0.000 2.610 16 S HA 0.454 4.924 4.470 0.000 0.000 0.273 16 S C -0.289 174.320 174.600 0.015 0.000 1.274 16 S CA -0.444 57.758 58.200 0.004 0.000 1.023 16 S CB 1.703 64.909 63.200 0.010 0.000 0.962 16 S HN 0.601 nan 8.310 nan 0.000 0.523 17 V N 4.201 124.130 119.914 0.024 0.000 2.656 17 V HA 0.531 4.651 4.120 0.000 0.000 0.307 17 V C -1.291 174.831 176.094 0.046 0.000 1.051 17 V CA -0.859 61.462 62.300 0.036 0.000 0.893 17 V CB 1.459 33.304 31.823 0.036 0.000 0.999 17 V HN 0.771 nan 8.190 nan 0.000 0.426 18 L N 6.874 128.126 121.223 0.049 0.000 2.257 18 L HA 0.589 4.929 4.340 0.000 0.000 0.290 18 L C -0.736 176.174 176.870 0.067 0.000 1.044 18 L CA -0.584 54.289 54.840 0.055 0.000 0.810 18 L CB 1.557 43.641 42.059 0.041 0.000 1.193 18 L HN 0.373 nan 8.230 nan 0.000 0.425 19 V N 2.249 122.219 119.914 0.094 0.000 2.407 19 V HA 0.278 4.398 4.120 0.000 0.000 0.291 19 V C 0.173 176.344 176.094 0.128 0.000 1.018 19 V CA -0.506 61.856 62.300 0.104 0.000 0.842 19 V CB 1.862 33.745 31.823 0.100 0.000 0.996 19 V HN 0.708 nan 8.190 nan 0.000 0.426 20 T N 4.373 118.978 114.554 0.085 0.000 2.749 20 T HA 0.294 4.644 4.350 0.000 0.000 0.295 20 T C -0.015 174.737 174.700 0.087 0.000 0.936 20 T CA -0.124 62.016 62.100 0.066 0.000 1.060 20 T CB 0.383 69.272 68.868 0.035 0.000 0.904 20 T HN 0.703 nan 8.240 nan 0.000 0.500 21 c N 2.934 121.601 118.600 0.111 0.000 2.366 21 c HA 0.864 5.434 4.570 0.000 0.000 0.345 21 c C 0.771 174.891 174.090 0.050 0.000 1.209 21 c CA -0.450 55.941 56.329 0.104 0.000 2.050 21 c CB 1.070 43.694 42.510 0.188 0.000 2.359 21 c HN 0.904 nan 8.230 nan 0.000 0.527 22 S N 0.813 116.536 115.700 0.038 0.000 2.570 22 S HA 0.796 5.266 4.470 0.000 0.000 0.270 22 S C -0.860 173.754 174.600 0.022 0.000 1.149 22 S CA -0.215 57.998 58.200 0.022 0.000 0.837 22 S CB 2.051 65.263 63.200 0.019 0.000 1.124 22 S HN 0.910 nan 8.310 nan 0.000 0.465 23 T N 0.739 115.302 114.554 0.016 0.000 2.681 23 T HA 0.752 5.102 4.350 0.000 0.000 0.296 23 T C -1.925 172.785 174.700 0.016 0.000 1.157 23 T CA -0.378 61.734 62.100 0.019 0.000 1.025 23 T CB 1.451 70.332 68.868 0.022 0.000 1.441 23 T HN 0.693 nan 8.240 nan 0.000 0.504 24 S N 1.194 116.905 115.700 0.017 0.000 2.721 24 S HA 0.632 5.102 4.470 0.000 0.000 0.264 24 S C -0.599 174.010 174.600 0.015 0.000 1.161 24 S CA -0.848 57.361 58.200 0.014 0.000 1.113 24 S CB -0.198 63.011 63.200 0.014 0.000 1.079 24 S HN 1.128 nan 8.310 nan 0.000 0.479 25 c N 0.201 118.809 118.600 0.014 0.000 3.295 25 c HA 0.595 5.165 4.570 0.000 0.000 0.341 25 c C 0.581 174.678 174.090 0.011 0.000 1.418 25 c CA -0.811 55.526 56.329 0.014 0.000 1.240 25 c CB 0.594 43.115 42.510 0.017 0.000 1.562 25 c HN 0.579 nan 8.230 nan 0.000 0.457 26 D N 0.760 121.167 120.400 0.010 0.000 2.084 26 D HA -0.036 4.604 4.640 0.000 0.000 0.199 26 D C 0.535 176.840 176.300 0.008 0.000 0.981 26 D CA 1.640 55.645 54.000 0.008 0.000 0.841 26 D CB -0.197 40.608 40.800 0.008 0.000 0.997 26 D HN 0.834 nan 8.370 nan 0.000 0.454 27 Q N 1.503 121.309 119.800 0.010 0.000 2.509 27 Q HA 0.303 4.643 4.340 0.000 0.000 0.236 27 Q C -2.771 173.238 176.000 0.014 0.000 1.073 27 Q CA -2.123 53.687 55.803 0.011 0.000 0.867 27 Q CB 1.301 30.046 28.738 0.010 0.000 1.181 27 Q HN 0.055 nan 8.270 nan 0.000 0.526 28 P HA 0.135 nan 4.420 nan 0.000 0.274 28 P C 0.244 177.554 177.300 0.017 0.000 1.291 28 P CA -0.058 63.052 63.100 0.017 0.000 0.815 28 P CB 0.767 32.475 31.700 0.012 0.000 0.897 29 M N 2.882 122.497 119.600 0.025 0.000 2.099 29 M HA -0.053 4.427 4.480 0.000 0.000 0.262 29 M C 0.773 177.090 176.300 0.028 0.000 1.067 29 M CA 1.737 57.053 55.300 0.026 0.000 1.124 29 M CB -0.151 32.469 32.600 0.034 0.000 1.353 29 M HN 0.202 nan 8.290 nan 0.000 0.410 30 L N 0.599 121.844 121.223 0.037 0.000 2.482 30 L HA 0.537 4.877 4.340 0.000 0.000 0.269 30 L C -1.628 175.234 176.870 -0.014 0.000 0.967 30 L CA -0.724 54.132 54.840 0.026 0.000 0.851 30 L CB 1.512 43.617 42.059 0.077 0.000 1.242 30 L HN -0.005 nan 8.230 nan 0.000 0.404 31 L N 5.001 126.191 121.223 -0.055 0.000 2.282 31 L HA 0.974 5.314 4.340 0.000 0.000 0.288 31 L C 0.014 176.765 176.870 -0.198 0.000 1.033 31 L CA 0.334 55.106 54.840 -0.113 0.000 0.807 31 L CB 1.180 43.215 42.059 -0.039 0.000 1.209 31 L HN 0.746 nan 8.230 nan 0.000 0.423 32 G N 4.849 113.320 108.800 -0.549 0.000 2.690 32 G HA2 0.548 4.508 3.960 0.000 0.000 0.293 32 G HA3 0.548 4.508 3.960 0.000 0.000 0.293 32 G C -1.940 172.495 174.900 -0.776 0.000 1.399 32 G CA -0.566 44.136 45.100 -0.665 0.000 0.890 32 G HN 0.701 nan 8.290 nan 0.000 0.485 33 I N 0.166 120.380 120.570 -0.594 0.000 2.530 33 I HA 0.449 4.619 4.170 0.000 0.000 0.297 33 I C 0.367 176.371 176.117 -0.188 0.000 1.011 33 I CA -0.863 60.157 61.300 -0.467 0.000 1.107 33 I CB 1.961 39.464 38.000 -0.829 0.000 1.285 33 I HN 0.706 nan 8.210 nan 0.000 0.436 34 E N 5.293 125.467 120.200 -0.043 0.000 2.369 34 E HA 0.362 4.712 4.350 0.000 0.000 0.255 34 E C -0.841 175.715 176.600 -0.074 0.000 1.172 34 E CA 0.040 56.444 56.400 0.007 0.000 0.932 34 E CB 1.282 30.994 29.700 0.019 0.000 1.040 34 E HN 0.742 nan 8.360 nan 0.000 0.454 35 T N 0.638 115.159 114.554 -0.055 0.000 3.036 35 T HA 0.010 4.360 4.350 0.000 0.000 0.312 35 T C -2.852 171.819 174.700 -0.049 0.000 1.667 35 T CA -0.467 61.594 62.100 -0.065 0.000 0.992 35 T CB -0.085 68.729 68.868 -0.090 0.000 2.097 35 T HN 0.618 nan 8.240 nan 0.000 0.538 36 P HA 0.635 nan 4.420 nan 0.000 0.205 36 P C -1.144 176.139 177.300 -0.029 0.000 1.856 36 P CA -0.292 62.789 63.100 -0.032 0.000 1.096 36 P CB -0.259 31.425 31.700 -0.027 0.000 1.829 37 L N 0.546 121.749 121.223 -0.032 0.000 2.359 37 L HA 0.619 4.959 4.340 0.000 0.000 0.256 37 L C -2.429 174.432 176.870 -0.015 0.000 1.026 37 L CA -2.613 52.212 54.840 -0.024 0.000 0.828 37 L CB 1.480 43.523 42.059 -0.027 0.000 1.406 37 L HN -0.144 nan 8.230 nan 0.000 0.413 38 P HA 0.084 nan 4.420 nan 0.000 0.263 38 P C -1.197 176.115 177.300 0.021 0.000 1.195 38 P CA -0.053 63.051 63.100 0.007 0.000 0.762 38 P CB 0.240 31.943 31.700 0.004 0.000 0.799 39 K N 3.237 123.663 120.400 0.044 0.000 2.705 39 K HA 0.212 4.532 4.320 0.000 0.000 0.238 39 K C -0.736 175.948 176.600 0.139 0.000 0.996 39 K CA -0.725 55.618 56.287 0.092 0.000 1.007 39 K CB 1.087 33.641 32.500 0.090 0.000 1.206 39 K HN 0.247 nan 8.250 nan 0.000 0.488 40 K N 3.518 123.975 120.400 0.096 0.000 2.382 40 K HA -0.022 4.298 4.320 0.000 0.000 0.286 40 K C -0.699 175.918 176.600 0.029 0.000 1.062 40 K CA 0.229 56.550 56.287 0.056 0.000 1.000 40 K CB 0.458 32.972 32.500 0.023 0.000 0.954 40 K HN 0.667 nan 8.250 nan 0.000 0.470 41 E N 5.319 125.499 120.200 -0.032 0.000 2.130 41 E HA 0.094 4.444 4.350 0.000 0.000 0.284 41 E C -0.426 176.049 176.600 -0.208 0.000 1.018 41 E CA -0.569 55.668 56.400 -0.271 0.000 0.817 41 E CB 0.608 30.128 29.700 -0.301 0.000 1.078 41 E HN 0.458 nan 8.360 nan 0.000 0.396 42 L N 3.584 124.674 121.223 -0.221 0.000 2.946 42 L HA 0.458 4.798 4.340 0.000 0.000 0.189 42 L C -0.286 176.488 176.870 -0.160 0.000 1.249 42 L CA -0.462 54.291 54.840 -0.145 0.000 1.098 42 L CB -0.024 41.973 42.059 -0.105 0.000 2.064 42 L HN 0.511 nan 8.230 nan 0.000 0.522 43 L N -1.230 119.926 121.223 -0.112 0.000 2.466 43 L HA 0.546 4.886 4.340 0.000 0.000 0.258 43 L C -0.841 175.985 176.870 -0.074 0.000 0.973 43 L CA 0.043 54.822 54.840 -0.101 0.000 0.826 43 L CB 1.752 43.766 42.059 -0.076 0.000 1.372 43 L HN 0.368 nan 8.230 nan 0.000 0.409 44 L N 1.655 122.837 121.223 -0.067 0.000 2.845 44 L HA 0.600 4.940 4.340 0.000 0.000 0.223 44 L C -1.869 174.979 176.870 -0.038 0.000 1.981 44 L CA -1.530 53.283 54.840 -0.045 0.000 2.671 44 L CB 0.374 42.409 42.059 -0.040 0.000 2.610 44 L HN 0.375 nan 8.230 nan 0.000 0.629 45 P HA 0.097 nan 4.420 nan 0.000 0.264 45 P C 0.282 177.565 177.300 -0.028 0.000 1.537 45 P CA 0.953 64.039 63.100 -0.024 0.000 1.189 45 P CB -0.207 31.483 31.700 -0.016 0.000 1.687 46 G N 4.522 113.302 108.800 -0.033 0.000 2.629 46 G HA2 -0.373 3.587 3.960 0.000 0.000 0.313 46 G HA3 -0.373 3.587 3.960 0.000 0.000 0.313 46 G C 1.044 175.923 174.900 -0.036 0.000 1.217 46 G CA 0.145 45.226 45.100 -0.032 0.000 0.994 46 G HN 0.415 nan 8.290 nan 0.000 0.549 47 N N 1.932 120.618 118.700 -0.023 0.000 2.336 47 N HA 0.068 4.808 4.740 0.000 0.000 0.189 47 N C 1.651 177.153 175.510 -0.014 0.000 1.113 47 N CA 0.791 53.829 53.050 -0.020 0.000 0.858 47 N CB -0.013 38.468 38.487 -0.010 0.000 0.970 47 N HN 0.521 nan 8.380 nan 0.000 0.471 48 N N 0.057 118.749 118.700 -0.013 0.000 2.387 48 N HA 0.083 4.823 4.740 0.000 0.000 0.176 48 N C -0.202 175.303 175.510 -0.009 0.000 1.022 48 N CA 0.681 53.727 53.050 -0.007 0.000 0.883 48 N CB 0.455 38.939 38.487 -0.005 0.000 1.019 48 N HN -0.075 nan 8.380 nan 0.000 0.435 49 R N 0.783 121.271 120.500 -0.020 0.000 2.502 49 R HA 0.404 4.744 4.340 0.000 0.000 0.298 49 R C -0.878 175.389 176.300 -0.055 0.000 1.018 49 R CA -0.317 55.768 56.100 -0.026 0.000 0.899 49 R CB 1.605 31.892 30.300 -0.022 0.000 1.181 49 R HN 0.064 nan 8.270 nan 0.000 0.444 50 K N 1.109 121.466 120.400 -0.072 0.000 2.385 50 K HA 0.665 4.985 4.320 0.000 0.000 0.248 50 K C -0.730 175.765 176.600 -0.175 0.000 0.955 50 K CA -0.999 55.188 56.287 -0.167 0.000 0.816 50 K CB 2.909 35.256 32.500 -0.255 0.000 1.250 50 K HN 0.113 nan 8.250 nan 0.000 0.434 51 V N 2.582 122.339 119.914 -0.262 0.000 2.487 51 V HA 0.341 4.461 4.120 0.000 0.000 0.298 51 V C -1.393 174.504 176.094 -0.329 0.000 1.028 51 V CA -0.890 61.301 62.300 -0.180 0.000 0.860 51 V CB 0.950 32.718 31.823 -0.092 0.000 0.991 51 V HN 0.609 nan 8.190 nan 0.000 0.427 52 Y N 2.211 122.499 120.300 -0.019 0.000 2.331 52 Y HA 0.417 4.967 4.550 -0.000 0.000 0.338 52 Y C 0.521 176.414 175.900 -0.011 0.000 0.992 52 Y CA -0.398 57.691 58.100 -0.019 0.000 1.121 52 Y CB 1.514 39.959 38.460 -0.024 0.000 1.184 52 Y HN 0.633 nan 8.280 nan 0.000 0.469 53 E N 4.429 124.700 120.200 0.120 0.000 2.130 53 E HA 0.355 4.705 4.350 0.000 0.000 0.284 53 E C -1.701 174.955 176.600 0.094 0.000 1.018 53 E CA -0.633 55.817 56.400 0.084 0.000 0.817 53 E CB 0.580 30.305 29.700 0.042 0.000 1.078 53 E HN 0.581 nan 8.360 nan 0.000 0.396 54 L N 4.131 125.396 121.223 0.070 0.000 2.280 54 L HA 0.258 4.598 4.340 0.000 0.000 0.287 54 L C -0.006 176.876 176.870 0.020 0.000 1.023 54 L CA -0.421 54.442 54.840 0.039 0.000 0.819 54 L CB 1.602 43.669 42.059 0.013 0.000 1.212 54 L HN 0.432 nan 8.230 nan 0.000 0.420 55 S N 1.836 117.544 115.700 0.012 0.000 2.541 55 S HA 0.555 5.025 4.470 0.000 0.000 0.283 55 S C 0.255 174.849 174.600 -0.010 0.000 1.196 55 S CA -0.667 57.534 58.200 0.002 0.000 1.062 55 S CB 1.209 64.411 63.200 0.003 0.000 1.009 55 S HN 0.693 nan 8.310 nan 0.000 0.502 56 N N 0.846 119.536 118.700 -0.018 0.000 2.765 56 N HA -0.148 4.592 4.740 0.000 0.000 0.254 56 N C -1.007 174.483 175.510 -0.032 0.000 1.094 56 N CA 0.376 53.408 53.050 -0.029 0.000 0.680 56 N CB -1.538 36.931 38.487 -0.030 0.000 0.902 56 N HN 0.639 nan 8.380 nan 0.000 0.557 57 V N 2.936 122.831 119.914 -0.032 0.000 2.387 57 V HA 0.127 4.247 4.120 0.000 0.000 0.260 57 V C 1.474 177.542 176.094 -0.042 0.000 1.054 57 V CA -0.101 62.181 62.300 -0.029 0.000 0.967 57 V CB 1.443 33.257 31.823 -0.016 0.000 1.036 57 V HN 0.379 nan 8.190 nan 0.000 0.481 58 Q N 3.128 122.900 119.800 -0.047 0.000 2.339 58 Q HA 0.110 4.450 4.340 0.000 0.000 0.205 58 Q C 0.679 176.648 176.000 -0.052 0.000 0.925 58 Q CA 0.643 56.406 55.803 -0.066 0.000 0.898 58 Q CB 0.745 29.437 28.738 -0.077 0.000 1.013 58 Q HN 0.992 nan 8.270 nan 0.000 0.504 59 E N -0.395 119.792 120.200 -0.020 0.000 2.449 59 E HA 0.342 4.692 4.350 0.000 0.000 0.278 59 E C -1.358 175.260 176.600 0.030 0.000 0.992 59 E CA -0.849 55.559 56.400 0.013 0.000 0.807 59 E CB 0.764 30.467 29.700 0.005 0.000 1.350 59 E HN -0.292 nan 8.360 nan 0.000 0.462 60 D N 0.813 121.248 120.400 0.059 0.000 2.458 60 D HA 0.267 4.907 4.640 0.000 0.000 0.243 60 D C -0.787 175.529 176.300 0.026 0.000 1.146 60 D CA 0.762 54.801 54.000 0.064 0.000 0.877 60 D CB 1.120 41.978 40.800 0.097 0.000 1.176 60 D HN 0.354 nan 8.370 nan 0.000 0.461 61 S N 1.195 116.897 115.700 0.003 0.000 2.618 61 S HA 0.497 4.967 4.470 0.000 0.000 0.277 61 S C -1.451 173.079 174.600 -0.117 0.000 1.138 61 S CA -0.761 57.408 58.200 -0.050 0.000 0.844 61 S CB 1.055 64.228 63.200 -0.044 0.000 1.127 61 S HN 0.242 nan 8.310 nan 0.000 0.474 62 Q N 1.729 121.407 119.800 -0.204 0.000 3.075 62 Q HA 0.348 4.688 4.340 0.000 0.000 0.318 62 Q C -2.757 173.082 176.000 -0.268 0.000 0.907 62 Q CA -1.336 54.242 55.803 -0.376 0.000 0.882 62 Q CB 1.191 29.472 28.738 -0.761 0.000 1.386 62 Q HN 0.293 nan 8.270 nan 0.000 0.408 63 P HA -0.002 nan 4.420 nan 0.000 0.269 63 P C -0.430 176.807 177.300 -0.106 0.000 1.252 63 P CA 0.117 63.142 63.100 -0.125 0.000 0.780 63 P CB 0.268 31.899 31.700 -0.115 0.000 0.829 64 M N 2.614 122.167 119.600 -0.079 0.000 2.235 64 M HA 0.395 4.875 4.480 0.000 0.000 0.351 64 M C -0.878 175.423 176.300 0.003 0.000 1.178 64 M CA -0.121 55.163 55.300 -0.027 0.000 1.143 64 M CB 0.439 33.036 32.600 -0.005 0.000 1.530 64 M HN 0.108 nan 8.290 nan 0.000 0.461 65 c N 5.300 123.904 118.600 0.006 0.000 2.373 65 c HA 0.480 5.050 4.570 0.000 0.000 0.354 65 c C -0.261 173.864 174.090 0.059 0.000 1.249 65 c CA -0.650 55.668 56.329 -0.018 0.000 1.784 65 c CB -1.750 40.763 42.510 0.006 0.000 2.408 65 c HN 0.839 nan 8.230 nan 0.000 0.542 66 Y N 1.578 121.871 120.300 -0.011 0.000 2.342 66 Y HA 0.680 5.230 4.550 0.000 0.000 0.334 66 Y C 0.110 176.020 175.900 0.016 0.000 1.067 66 Y CA -0.984 57.115 58.100 -0.001 0.000 1.128 66 Y CB 0.787 39.240 38.460 -0.012 0.000 1.200 66 Y HN 0.596 nan 8.280 nan 0.000 0.464 67 S N 2.608 118.404 115.700 0.160 0.000 2.596 67 S HA 0.400 4.870 4.470 0.000 0.000 0.318 67 S C -1.263 173.414 174.600 0.128 0.000 1.097 67 S CA -1.016 57.238 58.200 0.090 0.000 1.080 67 S CB 0.484 63.712 63.200 0.046 0.000 0.991 67 S HN 0.670 nan 8.310 nan 0.000 0.471 68 N N 2.610 121.392 118.700 0.137 0.000 2.508 68 N HA 0.278 5.018 4.740 0.000 0.000 0.253 68 N C -0.621 174.928 175.510 0.064 0.000 1.145 68 N CA -0.262 52.854 53.050 0.110 0.000 0.973 68 N CB -0.119 38.440 38.487 0.119 0.000 1.305 68 N HN 0.613 nan 8.380 nan 0.000 0.506 69 c N 2.533 121.164 118.600 0.052 0.000 2.370 69 c HA 0.339 4.909 4.570 0.000 0.000 0.354 69 c C -0.379 173.730 174.090 0.032 0.000 1.218 69 c CA -1.180 55.171 56.329 0.036 0.000 2.154 69 c CB 1.736 44.265 42.510 0.030 0.000 2.391 69 c HN 0.561 nan 8.230 nan 0.000 0.540 70 P HA -0.073 nan 4.420 nan 0.000 0.219 70 P C 0.426 177.737 177.300 0.018 0.000 1.150 70 P CA 1.521 64.634 63.100 0.021 0.000 0.814 70 P CB 0.248 31.958 31.700 0.017 0.000 0.787 71 D N -0.392 120.019 120.400 0.018 0.000 2.317 71 D HA 0.168 4.808 4.640 0.000 0.000 0.211 71 D C 1.011 177.322 176.300 0.017 0.000 0.966 71 D CA 0.912 54.921 54.000 0.016 0.000 0.876 71 D CB -0.169 40.640 40.800 0.014 0.000 0.927 71 D HN 0.186 nan 8.370 nan 0.000 0.519 72 G N 0.503 109.316 108.800 0.022 0.000 2.078 72 G HA2 0.109 4.069 3.960 0.000 0.000 0.297 72 G HA3 0.109 4.069 3.960 0.000 0.000 0.297 72 G C -1.182 173.738 174.900 0.034 0.000 1.370 72 G CA -0.774 44.341 45.100 0.025 0.000 1.222 72 G HN -0.032 nan 8.290 nan 0.000 0.586 73 Q N 2.020 121.841 119.800 0.035 0.000 2.844 73 Q HA 0.428 4.768 4.340 0.000 0.000 0.235 73 Q C 0.650 176.682 176.000 0.052 0.000 1.336 73 Q CA -0.351 55.483 55.803 0.051 0.000 1.026 73 Q CB 0.107 28.869 28.738 0.040 0.000 1.513 73 Q HN 0.629 nan 8.270 nan 0.000 0.577 74 S N 1.250 116.984 115.700 0.058 0.000 2.646 74 S HA 0.678 5.148 4.470 0.000 0.000 0.276 74 S C -0.198 174.448 174.600 0.078 0.000 1.222 74 S CA -0.547 57.687 58.200 0.056 0.000 1.014 74 S CB 2.106 65.332 63.200 0.044 0.000 0.991 74 S HN 0.332 nan 8.310 nan 0.000 0.533 75 T N 0.795 115.391 114.554 0.070 0.000 2.993 75 T HA 0.733 5.083 4.350 0.000 0.000 0.312 75 T C -1.037 173.702 174.700 0.066 0.000 1.115 75 T CA -0.508 61.643 62.100 0.086 0.000 1.027 75 T CB 1.554 70.473 68.868 0.086 0.000 1.116 75 T HN 1.129 nan 8.240 nan 0.000 0.464 76 A N 2.620 125.478 122.820 0.064 0.000 2.393 76 A HA 0.839 5.159 4.320 0.000 0.000 0.306 76 A C -0.829 176.788 177.584 0.054 0.000 1.050 76 A CA -0.847 51.226 52.037 0.061 0.000 0.724 76 A CB 1.614 20.649 19.000 0.058 0.000 1.248 76 A HN 0.701 nan 8.150 nan 0.000 0.424 77 K N 0.894 121.335 120.400 0.069 0.000 2.221 77 K HA 0.611 4.931 4.320 0.000 0.000 0.258 77 K C -0.630 176.025 176.600 0.092 0.000 0.944 77 K CA -0.198 56.109 56.287 0.034 0.000 0.823 77 K CB 1.654 34.153 32.500 -0.003 0.000 1.113 77 K HN 0.691 nan 8.250 nan 0.000 0.431 78 T N 2.805 117.372 114.554 0.023 0.000 2.895 78 T HA 0.532 4.882 4.350 0.000 0.000 0.283 78 T C -1.278 173.429 174.700 0.011 0.000 1.014 78 T CA -0.565 61.599 62.100 0.106 0.000 1.037 78 T CB 0.290 69.204 68.868 0.077 0.000 1.006 78 T HN 0.335 nan 8.240 nan 0.000 0.468 79 F N 4.445 124.410 119.950 0.026 0.000 2.402 79 F HA 0.536 5.063 4.527 0.000 0.000 0.355 79 F C -0.525 175.296 175.800 0.035 0.000 1.123 79 F CA -1.029 56.988 58.000 0.028 0.000 1.021 79 F CB 1.258 40.275 39.000 0.028 0.000 1.160 79 F HN 0.270 nan 8.300 nan 0.000 0.451 80 L N 3.540 124.840 121.223 0.129 0.000 2.272 80 L HA 0.485 4.825 4.340 0.000 0.000 0.289 80 L C 0.173 177.117 176.870 0.123 0.000 1.032 80 L CA -0.328 54.575 54.840 0.105 0.000 0.810 80 L CB 1.293 43.381 42.059 0.048 0.000 1.205 80 L HN 0.481 nan 8.230 nan 0.000 0.422 81 T N 3.158 117.796 114.554 0.140 0.000 2.794 81 T HA 0.660 5.010 4.350 0.000 0.000 0.280 81 T C 0.016 174.809 174.700 0.154 0.000 0.987 81 T CA -0.523 61.665 62.100 0.148 0.000 0.993 81 T CB 1.658 70.618 68.868 0.153 0.000 0.939 81 T HN 0.395 nan 8.240 nan 0.000 0.449 82 V N 1.600 121.602 119.914 0.148 0.000 3.096 82 V HA 0.882 5.002 4.120 0.000 0.000 0.319 82 V C -1.147 175.087 176.094 0.234 0.000 1.082 82 V CA -1.209 61.167 62.300 0.127 0.000 1.022 82 V CB 1.025 32.881 31.823 0.056 0.000 1.103 82 V HN 0.851 nan 8.190 nan 0.000 0.455 83 Y N 0.420 120.788 120.300 0.113 0.000 2.462 83 Y HA 0.904 5.454 4.550 0.000 0.000 0.346 83 Y C -1.074 174.930 175.900 0.173 0.000 0.976 83 Y CA -1.722 56.445 58.100 0.113 0.000 1.044 83 Y CB 1.950 40.435 38.460 0.042 0.000 1.230 83 Y HN 1.015 nan 8.280 nan 0.000 0.455 84 W N 1.997 123.349 121.300 0.087 0.000 3.259 84 W HA 0.541 5.201 4.660 0.000 0.000 0.331 84 W C -1.379 175.142 176.519 0.003 0.000 1.144 84 W CA -1.156 56.188 57.345 -0.002 0.000 1.227 84 W CB 0.892 30.336 29.460 -0.027 0.000 1.371 84 W HN 0.864 nan 8.180 nan 0.000 0.491 85 T N 0.408 115.030 114.554 0.113 0.000 2.860 85 T HA 0.339 4.689 4.350 0.000 0.000 0.299 85 T C -2.277 172.461 174.700 0.062 0.000 1.045 85 T CA -1.170 60.945 62.100 0.024 0.000 1.071 85 T CB 0.725 69.621 68.868 0.048 0.000 0.985 85 T HN 0.124 nan 8.240 nan 0.000 0.537 86 P HA 0.143 nan 4.420 nan 0.000 0.266 86 P C 0.352 177.737 177.300 0.141 0.000 1.193 86 P CA -0.008 63.102 63.100 0.017 0.000 0.770 86 P CB 0.364 32.057 31.700 -0.011 0.000 0.836 87 E N 1.224 121.551 120.200 0.211 0.000 2.435 87 E HA 0.029 4.379 4.350 0.000 0.000 0.195 87 E C 0.475 177.137 176.600 0.103 0.000 1.029 87 E CA 0.513 57.021 56.400 0.180 0.000 0.865 87 E CB 0.212 30.035 29.700 0.204 0.000 0.833 87 E HN 0.194 nan 8.360 nan 0.000 0.510 88 R N -0.826 119.724 120.500 0.083 0.000 2.579 88 R HA 0.369 4.709 4.340 0.000 0.000 0.260 88 R C -2.057 174.266 176.300 0.039 0.000 1.103 88 R CA -0.434 55.698 56.100 0.055 0.000 0.942 88 R CB 1.511 31.841 30.300 0.050 0.000 1.251 88 R HN -0.116 nan 8.270 nan 0.000 0.450 89 V N 4.545 124.479 119.914 0.032 0.000 2.509 89 V HA 0.490 4.610 4.120 0.000 0.000 0.289 89 V C -0.963 175.145 176.094 0.023 0.000 1.026 89 V CA -0.637 61.676 62.300 0.023 0.000 0.872 89 V CB 1.608 33.446 31.823 0.024 0.000 1.017 89 V HN 0.708 nan 8.190 nan 0.000 0.436 90 E N 3.506 123.715 120.200 0.015 0.000 2.413 90 E HA 0.545 4.895 4.350 0.000 0.000 0.277 90 E C -1.223 175.376 176.600 -0.003 0.000 0.958 90 E CA -0.765 55.643 56.400 0.014 0.000 0.779 90 E CB 3.096 32.805 29.700 0.016 0.000 1.278 90 E HN 0.414 nan 8.360 nan 0.000 0.456 91 L N 1.337 122.555 121.223 -0.008 0.000 2.326 91 L HA 0.438 4.778 4.340 0.000 0.000 0.278 91 L C 0.626 177.455 176.870 -0.067 0.000 1.092 91 L CA -0.634 54.177 54.840 -0.047 0.000 0.810 91 L CB 1.029 43.052 42.059 -0.060 0.000 1.153 91 L HN 0.590 nan 8.230 nan 0.000 0.439 92 A N 5.942 128.708 122.820 -0.090 0.000 2.531 92 A HA 0.251 4.571 4.320 0.000 0.000 0.236 92 A C -2.001 175.511 177.584 -0.120 0.000 1.062 92 A CA -0.877 51.107 52.037 -0.088 0.000 0.760 92 A CB -0.683 18.261 19.000 -0.094 0.000 0.995 92 A HN 0.531 nan 8.150 nan 0.000 0.501 93 P HA 0.182 nan 4.420 nan 0.000 0.261 93 P C -1.041 176.175 177.300 -0.139 0.000 1.183 93 P CA 0.208 63.263 63.100 -0.076 0.000 0.761 93 P CB 0.492 32.172 31.700 -0.033 0.000 0.785 94 L N 6.527 127.640 121.223 -0.183 0.000 2.401 94 L HA 0.544 4.884 4.340 0.000 0.000 0.266 94 L C -2.317 174.416 176.870 -0.228 0.000 0.991 94 L CA -2.468 52.203 54.840 -0.282 0.000 0.818 94 L CB 1.804 43.521 42.059 -0.570 0.000 1.321 94 L HN 0.268 nan 8.230 nan 0.000 0.413 95 P HA 0.038 nan 4.420 nan 0.000 0.265 95 P C 0.255 177.214 177.300 -0.569 0.000 1.193 95 P CA 0.134 62.667 63.100 -0.945 0.000 0.765 95 P CB 0.990 31.747 31.700 -1.572 0.000 0.823 96 S N 2.289 117.785 115.700 -0.339 0.000 2.387 96 S HA -0.062 4.408 4.470 0.000 0.000 0.226 96 S C 0.466 175.133 174.600 0.113 0.000 1.026 96 S CA 0.015 58.240 58.200 0.041 0.000 0.972 96 S CB -0.558 62.761 63.200 0.199 0.000 0.814 96 S HN 0.587 nan 8.310 nan 0.000 0.477 97 W N 2.321 123.753 121.300 0.219 0.000 2.304 97 W HA 0.680 5.340 4.660 0.000 0.000 0.313 97 W C -0.352 176.353 176.519 0.310 0.000 1.323 97 W CA -0.874 56.716 57.345 0.409 0.000 1.223 97 W CB 0.158 29.929 29.460 0.518 0.000 1.237 97 W HN -0.007 nan 8.180 nan 0.000 0.535 98 Q N 4.820 124.831 119.800 0.353 0.000 2.274 98 Q HA 0.419 4.759 4.340 0.000 0.000 0.268 98 Q C -2.594 173.573 176.000 0.278 0.000 1.015 98 Q CA -2.486 53.441 55.803 0.206 0.000 0.775 98 Q CB 2.347 31.146 28.738 0.102 0.000 1.256 98 Q HN 0.231 nan 8.270 nan 0.000 0.442 99 P HA -0.012 nan 4.420 nan 0.000 0.262 99 P C -0.712 176.689 177.300 0.169 0.000 1.199 99 P CA -0.011 63.222 63.100 0.221 0.000 0.763 99 P CB 0.555 32.353 31.700 0.164 0.000 0.790 100 V N 4.260 124.279 119.914 0.175 0.000 2.585 100 V HA 0.232 4.352 4.120 0.000 0.000 0.296 100 V C 1.639 177.786 176.094 0.088 0.000 1.035 100 V CA 1.987 64.362 62.300 0.124 0.000 1.084 100 V CB -0.063 31.821 31.823 0.102 0.000 0.953 100 V HN 1.013 nan 8.190 nan 0.000 0.483 101 G N 4.000 112.842 108.800 0.070 0.000 2.175 101 G HA2 -0.177 3.783 3.960 0.000 0.000 0.244 101 G HA3 -0.177 3.783 3.960 0.000 0.000 0.244 101 G C 0.217 175.148 174.900 0.052 0.000 0.982 101 G CA -0.050 45.080 45.100 0.050 0.000 0.641 101 G HN 0.523 nan 8.290 nan 0.000 0.527 102 K N 0.229 120.668 120.400 0.064 0.000 2.185 102 K HA 0.517 4.837 4.320 0.000 0.000 0.240 102 K C -0.112 176.514 176.600 0.043 0.000 0.983 102 K CA -1.006 55.312 56.287 0.051 0.000 0.873 102 K CB 0.805 33.338 32.500 0.055 0.000 1.118 102 K HN 0.166 nan 8.250 nan 0.000 0.441 103 N N 0.764 119.477 118.700 0.023 0.000 2.499 103 N HA 0.335 5.075 4.740 0.000 0.000 0.281 103 N C -0.795 174.700 175.510 -0.025 0.000 1.098 103 N CA -0.325 52.728 53.050 0.005 0.000 0.979 103 N CB 0.759 39.244 38.487 -0.002 0.000 1.121 103 N HN 0.373 nan 8.380 nan 0.000 0.466 104 L N 0.645 121.833 121.223 -0.058 0.000 2.354 104 L HA 0.678 5.018 4.340 0.000 0.000 0.269 104 L C -1.035 175.743 176.870 -0.154 0.000 1.005 104 L CA -0.466 54.302 54.840 -0.119 0.000 0.819 104 L CB 2.011 43.981 42.059 -0.149 0.000 1.311 104 L HN 0.369 nan 8.230 nan 0.000 0.423 105 T N 5.032 119.480 114.554 -0.177 0.000 2.792 105 T HA 0.526 4.876 4.350 0.000 0.000 0.280 105 T C -0.329 174.230 174.700 -0.236 0.000 0.990 105 T CA -0.364 61.633 62.100 -0.172 0.000 0.960 105 T CB 1.190 69.986 68.868 -0.120 0.000 0.939 105 T HN 0.415 nan 8.240 nan 0.000 0.439 106 L N 3.391 124.475 121.223 -0.230 0.000 2.325 106 L HA 0.671 5.011 4.340 0.000 0.000 0.279 106 L C 0.424 177.198 176.870 -0.160 0.000 1.054 106 L CA -0.839 53.851 54.840 -0.251 0.000 0.804 106 L CB 1.298 43.212 42.059 -0.242 0.000 1.200 106 L HN 0.409 nan 8.230 nan 0.000 0.436 107 R N 2.420 122.829 120.500 -0.151 0.000 2.518 107 R HA 0.355 4.695 4.340 0.000 0.000 0.296 107 R C -1.497 174.756 176.300 -0.079 0.000 1.080 107 R CA -0.433 55.607 56.100 -0.100 0.000 0.922 107 R CB 1.621 31.862 30.300 -0.098 0.000 1.184 107 R HN 0.766 nan 8.270 nan 0.000 0.445 108 c N 3.979 122.547 118.600 -0.052 0.000 2.401 108 c HA 0.486 5.056 4.570 0.000 0.000 0.365 108 c C -0.491 173.583 174.090 -0.026 0.000 1.250 108 c CA -0.163 56.146 56.329 -0.033 0.000 2.131 108 c CB 1.054 43.553 42.510 -0.018 0.000 2.445 108 c HN 0.854 nan 8.230 nan 0.000 0.550 109 Q N 3.452 123.241 119.800 -0.019 0.000 2.325 109 Q HA 0.593 4.933 4.340 0.000 0.000 0.270 109 Q C -1.200 174.798 176.000 -0.003 0.000 1.020 109 Q CA -0.382 55.414 55.803 -0.012 0.000 0.785 109 Q CB 2.183 30.915 28.738 -0.011 0.000 1.259 109 Q HN 0.625 nan 8.270 nan 0.000 0.452 110 V N 2.836 122.746 119.914 -0.006 0.000 2.326 110 V HA 0.252 4.372 4.120 0.000 0.000 0.281 110 V C -0.409 175.684 176.094 -0.001 0.000 1.015 110 V CA -0.632 61.665 62.300 -0.006 0.000 0.823 110 V CB 1.383 33.193 31.823 -0.022 0.000 1.009 110 V HN 0.727 nan 8.190 nan 0.000 0.436 111 E N 3.597 123.811 120.200 0.023 0.000 2.146 111 E HA 0.590 4.940 4.350 0.000 0.000 0.282 111 E C 0.715 177.363 176.600 0.079 0.000 0.989 111 E CA 0.545 56.976 56.400 0.051 0.000 0.799 111 E CB 1.612 31.352 29.700 0.067 0.000 1.088 111 E HN 0.985 nan 8.360 nan 0.000 0.397 112 G N 2.582 111.417 108.800 0.059 0.000 2.568 112 G HA2 0.112 4.072 3.960 0.000 0.000 0.222 112 G HA3 0.112 4.072 3.960 0.000 0.000 0.222 112 G C 0.167 174.773 174.900 -0.489 0.000 1.321 112 G CA -0.381 44.700 45.100 -0.032 0.000 0.893 112 G HN 1.198 nan 8.290 nan 0.000 0.569 113 G N -1.821 106.205 108.800 -1.291 0.000 3.322 113 G HA2 0.575 4.535 3.960 0.000 0.000 0.686 113 G HA3 0.575 4.535 3.960 0.000 0.000 0.686 113 G C -0.029 174.291 174.900 -0.967 0.000 1.015 113 G CA 0.868 45.370 45.100 -0.997 0.000 0.826 113 G HN 2.884 nan 8.290 nan 0.000 0.538 114 A N 4.703 126.923 122.820 -0.999 0.000 2.604 114 A HA 0.985 5.305 4.320 0.000 0.000 0.295 114 A C -2.791 174.658 177.584 -0.225 0.000 1.067 114 A CA -0.924 50.802 52.037 -0.518 0.000 0.683 114 A CB 2.270 21.016 19.000 -0.423 0.000 1.281 114 A HN 0.982 nan 8.150 nan 0.000 0.407 115 P HA 0.141 nan 4.420 nan 0.000 0.271 115 P C 0.234 177.481 177.300 -0.089 0.000 1.220 115 P CA -0.151 62.918 63.100 -0.052 0.000 0.768 115 P CB 0.842 32.548 31.700 0.009 0.000 0.848 116 R N 3.265 123.711 120.500 -0.090 0.000 2.152 116 R HA -0.084 4.256 4.340 0.000 0.000 0.232 116 R C 1.973 178.241 176.300 -0.054 0.000 1.117 116 R CA 1.474 57.522 56.100 -0.087 0.000 0.981 116 R CB -1.484 28.773 30.300 -0.071 0.000 0.870 116 R HN 0.578 nan 8.270 nan 0.000 0.451 117 A N 1.006 123.805 122.820 -0.035 0.000 2.225 117 A HA -0.083 4.237 4.320 0.000 0.000 0.215 117 A C 0.910 178.478 177.584 -0.027 0.000 1.164 117 A CA 1.082 53.104 52.037 -0.025 0.000 0.710 117 A CB -0.099 18.892 19.000 -0.015 0.000 0.780 117 A HN 0.238 nan 8.150 nan 0.000 0.473 118 N N -0.914 117.766 118.700 -0.034 0.000 2.194 118 N HA 0.202 4.942 4.740 0.000 0.000 0.231 118 N C -0.736 174.753 175.510 -0.036 0.000 1.247 118 N CA -0.091 52.940 53.050 -0.031 0.000 0.884 118 N CB 0.820 39.292 38.487 -0.026 0.000 1.146 118 N HN 0.314 nan 8.380 nan 0.000 0.516 119 L N 1.557 122.751 121.223 -0.047 0.000 2.287 119 L HA 0.464 4.804 4.340 0.000 0.000 0.287 119 L C -0.709 176.137 176.870 -0.040 0.000 1.022 119 L CA 0.226 55.035 54.840 -0.052 0.000 0.814 119 L CB 1.386 43.392 42.059 -0.088 0.000 1.217 119 L HN -0.107 nan 8.230 nan 0.000 0.420 120 T N 3.691 118.227 114.554 -0.030 0.000 2.863 120 T HA 0.517 4.867 4.350 0.000 0.000 0.285 120 T C -0.403 174.286 174.700 -0.019 0.000 1.009 120 T CA -0.375 61.711 62.100 -0.024 0.000 0.989 120 T CB 2.270 71.126 68.868 -0.019 0.000 1.004 120 T HN 0.298 nan 8.240 nan 0.000 0.455 121 V N 3.270 123.174 119.914 -0.017 0.000 2.435 121 V HA 0.748 4.868 4.120 0.000 0.000 0.290 121 V C -0.075 176.016 176.094 -0.005 0.000 1.030 121 V CA -0.767 61.526 62.300 -0.012 0.000 0.881 121 V CB 1.426 33.240 31.823 -0.015 0.000 0.983 121 V HN 0.731 nan 8.190 nan 0.000 0.445 122 V N 6.025 125.940 119.914 0.002 0.000 2.789 122 V HA 0.675 4.795 4.120 0.000 0.000 0.311 122 V C -1.080 175.025 176.094 0.019 0.000 1.073 122 V CA -0.584 61.721 62.300 0.008 0.000 0.921 122 V CB 2.004 33.831 31.823 0.007 0.000 1.009 122 V HN 0.735 nan 8.190 nan 0.000 0.426 123 L N 5.944 127.183 121.223 0.027 0.000 2.295 123 L HA 0.654 4.994 4.340 0.000 0.000 0.285 123 L C -0.901 176.010 176.870 0.069 0.000 1.035 123 L CA -0.535 54.334 54.840 0.049 0.000 0.806 123 L CB 1.648 43.732 42.059 0.042 0.000 1.214 123 L HN 0.594 nan 8.230 nan 0.000 0.426 124 L N 3.416 124.693 121.223 0.091 0.000 2.370 124 L HA 0.575 4.915 4.340 0.000 0.000 0.266 124 L C -0.258 176.656 176.870 0.074 0.000 1.002 124 L CA -0.524 54.357 54.840 0.069 0.000 0.818 124 L CB 2.013 44.088 42.059 0.027 0.000 1.325 124 L HN 0.476 nan 8.230 nan 0.000 0.418 125 R N 1.483 121.958 120.500 -0.042 0.000 2.272 125 R HA 0.627 4.967 4.340 0.000 0.000 0.323 125 R C 0.516 176.653 176.300 -0.272 0.000 1.002 125 R CA 0.509 56.388 56.100 -0.369 0.000 0.900 125 R CB 0.542 30.675 30.300 -0.278 0.000 1.151 125 R HN 0.845 nan 8.270 nan 0.000 0.507 126 G N 3.647 112.281 108.800 -0.276 0.000 2.543 126 G HA2 -0.395 3.565 3.960 0.000 0.000 0.286 126 G HA3 -0.395 3.565 3.960 0.000 0.000 0.286 126 G C 0.331 175.182 174.900 -0.082 0.000 1.153 126 G CA 0.405 45.412 45.100 -0.155 0.000 0.968 126 G HN 0.689 nan 8.290 nan 0.000 0.544 127 E N 1.460 121.625 120.200 -0.058 0.000 2.498 127 E HA 0.213 4.563 4.350 0.000 0.000 0.203 127 E C 0.455 177.041 176.600 -0.023 0.000 1.013 127 E CA 0.340 56.721 56.400 -0.032 0.000 0.927 127 E CB 0.206 29.891 29.700 -0.025 0.000 1.012 127 E HN 0.661 nan 8.360 nan 0.000 0.482 128 K N 2.640 123.023 120.400 -0.028 0.000 2.172 128 K HA 0.137 4.457 4.320 0.000 0.000 0.276 128 K C 0.305 176.907 176.600 0.003 0.000 1.013 128 K CA -0.550 55.730 56.287 -0.011 0.000 0.913 128 K CB 1.052 33.547 32.500 -0.008 0.000 1.055 128 K HN 0.031 nan 8.250 nan 0.000 0.461 129 E N 5.103 125.309 120.200 0.010 0.000 2.194 129 E HA 0.044 4.394 4.350 0.000 0.000 0.284 129 E C -0.239 176.379 176.600 0.031 0.000 1.035 129 E CA -0.112 56.299 56.400 0.019 0.000 0.836 129 E CB 0.814 30.520 29.700 0.011 0.000 1.070 129 E HN 0.612 nan 8.360 nan 0.000 0.401 130 L N 1.612 122.863 121.223 0.046 0.000 2.316 130 L HA 0.235 4.575 4.340 0.000 0.000 0.207 130 L C 0.879 177.773 176.870 0.039 0.000 1.070 130 L CA 0.427 55.301 54.840 0.058 0.000 0.820 130 L CB 0.062 42.177 42.059 0.094 0.000 0.992 130 L HN 0.415 nan 8.230 nan 0.000 0.466 131 K N -0.131 120.287 120.400 0.030 0.000 2.546 131 K HA 0.524 4.844 4.320 0.000 0.000 0.264 131 K C -1.366 175.241 176.600 0.011 0.000 0.937 131 K CA -0.463 55.835 56.287 0.017 0.000 0.833 131 K CB 2.067 34.575 32.500 0.013 0.000 1.378 131 K HN -0.156 nan 8.250 nan 0.000 0.432 132 R N 1.995 122.498 120.500 0.004 0.000 2.604 132 R HA 0.459 4.799 4.340 0.000 0.000 0.281 132 R C -1.289 175.008 176.300 -0.005 0.000 1.020 132 R CA -0.877 55.223 56.100 -0.001 0.000 0.899 132 R CB 2.343 32.642 30.300 -0.002 0.000 1.205 132 R HN 0.662 nan 8.270 nan 0.000 0.450 133 E N 2.099 122.294 120.200 -0.009 0.000 2.363 133 E HA 0.274 4.624 4.350 0.000 0.000 0.281 133 E C -2.789 173.802 176.600 -0.016 0.000 0.953 133 E CA -2.087 54.306 56.400 -0.012 0.000 0.778 133 E CB 3.249 32.942 29.700 -0.012 0.000 1.220 133 E HN 0.220 nan 8.360 nan 0.000 0.431 134 P HA 0.040 nan 4.420 nan 0.000 0.269 134 P C -1.194 176.091 177.300 -0.025 0.000 1.209 134 P CA -0.020 63.067 63.100 -0.022 0.000 0.776 134 P CB 0.565 32.254 31.700 -0.020 0.000 0.876 135 A N 3.200 126.000 122.820 -0.033 0.000 2.396 135 A HA 0.416 4.736 4.320 0.000 0.000 0.279 135 A C -0.207 177.357 177.584 -0.035 0.000 1.165 135 A CA 0.105 52.120 52.037 -0.038 0.000 0.824 135 A CB -0.482 18.485 19.000 -0.055 0.000 1.100 135 A HN 0.367 nan 8.150 nan 0.000 0.516 136 V N 2.316 122.214 119.914 -0.026 0.000 2.735 136 V HA 0.854 4.974 4.120 0.000 0.000 0.310 136 V C 0.694 176.779 176.094 -0.016 0.000 1.061 136 V CA 0.333 62.621 62.300 -0.020 0.000 0.913 136 V CB 1.057 32.871 31.823 -0.015 0.000 1.005 136 V HN 2.133 nan 8.190 nan 0.000 0.428 137 G N 3.091 111.884 108.800 -0.011 0.000 2.796 137 G HA2 0.085 4.045 3.960 0.000 0.000 0.571 137 G HA3 0.085 4.045 3.960 0.000 0.000 0.571 137 G C -0.833 174.066 174.900 -0.002 0.000 1.370 137 G CA 0.086 45.184 45.100 -0.004 0.000 0.856 137 G HN 1.093 nan 8.290 nan 0.000 0.538 138 E N 0.608 120.812 120.200 0.006 0.000 2.302 138 E HA 0.592 4.942 4.350 0.000 0.000 0.263 138 E C -1.871 174.739 176.600 0.015 0.000 0.897 138 E CA -1.237 55.172 56.400 0.015 0.000 0.809 138 E CB 1.251 30.970 29.700 0.031 0.000 1.270 138 E HN 0.643 nan 8.360 nan 0.000 0.410 139 P HA 0.367 nan 4.420 nan 0.000 0.274 139 P C -0.855 176.443 177.300 -0.003 0.000 1.231 139 P CA -0.658 62.447 63.100 0.009 0.000 0.790 139 P CB 1.170 32.875 31.700 0.009 0.000 0.951 140 A N 2.334 125.147 122.820 -0.011 0.000 2.444 140 A HA 0.181 4.501 4.320 0.000 0.000 0.273 140 A C 0.372 177.945 177.584 -0.018 0.000 1.136 140 A CA -0.255 51.771 52.037 -0.018 0.000 0.799 140 A CB -0.341 18.641 19.000 -0.030 0.000 1.081 140 A HN 0.548 nan 8.150 nan 0.000 0.509 141 E N 1.332 121.522 120.200 -0.017 0.000 2.214 141 E HA 0.564 4.914 4.350 0.000 0.000 0.274 141 E C -1.209 175.378 176.600 -0.022 0.000 0.977 141 E CA -0.675 55.712 56.400 -0.021 0.000 0.827 141 E CB 2.163 31.849 29.700 -0.022 0.000 1.130 141 E HN 0.362 nan 8.360 nan 0.000 0.394 142 V N 2.002 121.901 119.914 -0.025 0.000 2.623 142 V HA 0.350 4.470 4.120 0.000 0.000 0.304 142 V C -0.251 175.824 176.094 -0.031 0.000 1.054 142 V CA -0.633 61.653 62.300 -0.023 0.000 0.882 142 V CB 2.048 33.861 31.823 -0.017 0.000 1.002 142 V HN 0.892 nan 8.190 nan 0.000 0.424 143 T N 0.365 114.899 114.554 -0.032 0.000 2.916 143 T HA 0.852 5.202 4.350 0.000 0.000 0.292 143 T C -0.593 174.084 174.700 -0.038 0.000 1.055 143 T CA -0.791 61.282 62.100 -0.045 0.000 1.009 143 T CB 2.234 71.073 68.868 -0.049 0.000 1.118 143 T HN 0.686 nan 8.240 nan 0.000 0.497 144 T N 1.102 115.625 114.554 -0.051 0.000 2.942 144 T HA 0.620 4.970 4.350 0.000 0.000 0.327 144 T C -0.677 173.986 174.700 -0.060 0.000 1.360 144 T CA -0.464 61.613 62.100 -0.039 0.000 1.055 144 T CB 1.573 70.432 68.868 -0.015 0.000 1.261 144 T HN 1.195 nan 8.240 nan 0.000 0.485 145 T N 0.491 115.020 114.554 -0.041 0.000 2.922 145 T HA 0.763 5.113 4.350 0.000 0.000 0.285 145 T C -0.504 174.177 174.700 -0.031 0.000 1.005 145 T CA -0.639 61.432 62.100 -0.048 0.000 1.061 145 T CB 1.253 70.106 68.868 -0.026 0.000 1.007 145 T HN 0.403 nan 8.240 nan 0.000 0.502 146 V N 3.309 123.194 119.914 -0.049 0.000 2.524 146 V HA 0.325 4.445 4.120 0.000 0.000 0.297 146 V C -0.623 175.504 176.094 0.055 0.000 1.035 146 V CA -1.002 61.295 62.300 -0.005 0.000 0.867 146 V CB 1.574 33.296 31.823 -0.168 0.000 1.004 146 V HN 0.935 nan 8.190 nan 0.000 0.426 147 L N 7.353 128.661 121.223 0.141 0.000 2.407 147 L HA 0.364 4.704 4.340 0.000 0.000 0.282 147 L C 0.185 177.200 176.870 0.243 0.000 1.110 147 L CA 0.403 55.324 54.840 0.135 0.000 0.863 147 L CB 0.896 43.010 42.059 0.091 0.000 1.207 147 L HN 0.472 nan 8.230 nan 0.000 0.454 148 V N 7.322 127.364 119.914 0.213 0.000 2.458 148 V HA 0.106 4.226 4.120 0.000 0.000 0.287 148 V C 0.898 177.097 176.094 0.175 0.000 1.009 148 V CA 0.213 62.700 62.300 0.312 0.000 1.091 148 V CB -0.519 31.417 31.823 0.189 0.000 0.960 148 V HN 0.746 nan 8.190 nan 0.000 0.476 149 R N 3.493 124.046 120.500 0.089 0.000 2.902 149 R HA 0.509 4.849 4.340 0.000 0.000 0.258 149 R C 1.200 177.451 176.300 -0.081 0.000 1.071 149 R CA -0.983 55.052 56.100 -0.109 0.000 1.024 149 R CB 1.427 31.532 30.300 -0.325 0.000 1.184 149 R HN 0.486 nan 8.270 nan 0.000 0.492 150 R N 0.699 121.114 120.500 -0.141 0.000 2.148 150 R HA -0.116 4.224 4.340 0.000 0.000 0.223 150 R C 0.607 176.771 176.300 -0.227 0.000 1.088 150 R CA 1.365 57.343 56.100 -0.204 0.000 0.985 150 R CB 0.008 30.140 30.300 -0.280 0.000 0.880 150 R HN 0.624 nan 8.270 nan 0.000 0.451 151 D N 0.132 120.374 120.400 -0.262 0.000 2.133 151 D HA -0.163 4.477 4.640 0.000 0.000 0.195 151 D C -0.072 176.076 176.300 -0.253 0.000 0.997 151 D CA 1.286 55.084 54.000 -0.336 0.000 0.840 151 D CB -0.166 40.438 40.800 -0.326 0.000 0.947 151 D HN 0.487 nan 8.370 nan 0.000 0.452 152 H N -0.210 118.851 119.070 -0.015 0.000 3.157 152 H HA 0.076 4.632 4.556 0.000 0.000 0.260 152 H C 1.109 176.571 175.328 0.223 0.000 1.232 152 H CA -0.376 55.766 56.048 0.157 0.000 1.488 152 H CB 0.119 30.019 29.762 0.231 0.000 1.548 152 H HN 0.423 nan 8.280 nan 0.000 0.487 153 H N 0.399 119.574 119.070 0.175 0.000 4.112 153 H HA 0.283 4.839 4.556 0.000 0.000 0.171 153 H C 1.711 177.098 175.328 0.100 0.000 1.324 153 H CA -0.362 55.784 56.048 0.163 0.000 1.445 153 H CB 0.100 29.946 29.762 0.139 0.000 1.557 153 H HN 0.443 nan 8.280 nan 0.000 0.421 154 G N 0.392 109.055 108.800 -0.228 0.000 3.424 154 G HA2 0.409 4.369 3.960 0.000 0.000 0.263 154 G HA3 0.409 4.369 3.960 0.000 0.000 0.263 154 G C 0.037 174.803 174.900 -0.223 0.000 1.310 154 G CA 0.079 45.027 45.100 -0.254 0.000 1.089 154 G HN 0.721 nan 8.290 nan 0.000 0.534 155 A N 1.814 124.603 122.820 -0.052 0.000 2.491 155 A HA 0.358 4.678 4.320 0.000 0.000 0.261 155 A C 0.605 178.089 177.584 -0.168 0.000 1.101 155 A CA -0.546 51.422 52.037 -0.115 0.000 0.772 155 A CB 0.043 18.994 19.000 -0.082 0.000 1.043 155 A HN 0.578 nan 8.150 nan 0.000 0.501 156 N N 2.548 121.122 118.700 -0.209 0.000 2.438 156 N HA 0.507 5.247 4.740 0.000 0.000 0.282 156 N C -1.428 173.999 175.510 -0.139 0.000 1.037 156 N CA -0.178 52.815 53.050 -0.095 0.000 0.942 156 N CB 1.132 39.576 38.487 -0.071 0.000 1.136 156 N HN 0.336 nan 8.380 nan 0.000 0.481 157 F N 0.592 120.581 119.950 0.066 0.000 2.458 157 F HA 0.476 5.003 4.527 0.000 0.000 0.330 157 F C 0.925 176.773 175.800 0.080 0.000 1.082 157 F CA -0.475 57.576 58.000 0.085 0.000 0.995 157 F CB 1.902 40.983 39.000 0.134 0.000 1.170 157 F HN 0.597 nan 8.300 nan 0.000 0.478 158 S N 0.399 116.225 115.700 0.211 0.000 2.671 158 S HA 0.703 5.173 4.470 0.000 0.000 0.277 158 S C -1.571 173.085 174.600 0.093 0.000 1.165 158 S CA -0.935 57.341 58.200 0.127 0.000 0.822 158 S CB 1.560 64.805 63.200 0.075 0.000 1.150 158 S HN 0.908 nan 8.310 nan 0.000 0.479 159 c N 0.873 119.509 118.600 0.061 0.000 2.563 159 c HA 0.903 5.473 4.570 0.000 0.000 0.314 159 c C -0.480 173.628 174.090 0.031 0.000 1.199 159 c CA -0.227 56.126 56.329 0.039 0.000 1.564 159 c CB 1.115 43.640 42.510 0.024 0.000 2.173 159 c HN 1.120 nan 8.230 nan 0.000 0.485 160 R N 2.190 122.704 120.500 0.023 0.000 2.725 160 R HA 0.739 5.079 4.340 0.000 0.000 0.277 160 R C -0.708 175.600 176.300 0.013 0.000 0.987 160 R CA -0.079 56.033 56.100 0.020 0.000 0.901 160 R CB 2.106 32.417 30.300 0.018 0.000 1.207 160 R HN 0.895 nan 8.270 nan 0.000 0.463 161 T N -0.430 114.133 114.554 0.014 0.000 2.885 161 T HA 0.526 4.876 4.350 0.000 0.000 0.285 161 T C -0.619 174.089 174.700 0.013 0.000 1.019 161 T CA -0.943 61.160 62.100 0.006 0.000 1.010 161 T CB 1.786 70.654 68.868 -0.000 0.000 1.022 161 T HN 0.542 nan 8.240 nan 0.000 0.466 162 E N 1.555 121.757 120.200 0.003 0.000 2.220 162 E HA 0.339 4.689 4.350 0.000 0.000 0.256 162 E C -1.141 175.462 176.600 0.006 0.000 0.881 162 E CA -0.564 55.839 56.400 0.005 0.000 0.766 162 E CB 1.962 31.656 29.700 -0.010 0.000 1.187 162 E HN 0.497 nan 8.360 nan 0.000 0.419 163 L N 3.692 124.941 121.223 0.043 0.000 2.314 163 L HA 0.243 4.583 4.340 0.000 0.000 0.275 163 L C -0.615 176.282 176.870 0.045 0.000 1.068 163 L CA -0.411 54.462 54.840 0.055 0.000 0.894 163 L CB 0.444 42.580 42.059 0.129 0.000 1.275 163 L HN 0.510 nan 8.230 nan 0.000 0.432 164 D N 4.270 124.661 120.400 -0.014 0.000 2.422 164 D HA 0.098 4.738 4.640 0.000 0.000 0.227 164 D C 0.507 176.770 176.300 -0.062 0.000 1.190 164 D CA -0.312 53.654 54.000 -0.056 0.000 0.905 164 D CB 1.054 41.821 40.800 -0.055 0.000 1.034 164 D HN 0.309 nan 8.370 nan 0.000 0.507 165 L N 3.620 124.787 121.223 -0.093 0.000 2.628 165 L HA 0.250 4.590 4.340 0.000 0.000 0.229 165 L C 2.118 178.920 176.870 -0.113 0.000 1.137 165 L CA 0.218 54.998 54.840 -0.100 0.000 0.909 165 L CB -0.443 41.529 42.059 -0.144 0.000 1.137 165 L HN 0.303 nan 8.230 nan 0.000 0.470 166 R N 0.969 121.395 120.500 -0.124 0.000 2.103 166 R HA -0.134 4.206 4.340 0.000 0.000 0.242 166 R C -0.546 175.715 176.300 -0.065 0.000 1.142 166 R CA 1.593 57.630 56.100 -0.104 0.000 0.960 166 R CB -1.231 29.008 30.300 -0.102 0.000 0.858 166 R HN 0.343 nan 8.270 nan 0.000 0.439 167 P HA -0.083 nan 4.420 nan 0.000 0.234 167 P C 0.276 177.561 177.300 -0.025 0.000 1.167 167 P CA 1.129 64.208 63.100 -0.035 0.000 0.763 167 P CB 0.254 31.935 31.700 -0.031 0.000 0.835 168 Q N -1.222 118.561 119.800 -0.028 0.000 2.282 168 Q HA 0.344 4.684 4.340 0.000 0.000 0.206 168 Q C 1.354 177.353 176.000 -0.000 0.000 0.878 168 Q CA 0.761 56.560 55.803 -0.007 0.000 0.944 168 Q CB -0.033 28.703 28.738 -0.002 0.000 1.100 168 Q HN 0.271 nan 8.270 nan 0.000 0.509 169 G N -0.916 107.874 108.800 -0.018 0.000 2.163 169 G HA2 -0.202 3.758 3.960 0.000 0.000 0.213 169 G HA3 -0.202 3.758 3.960 0.000 0.000 0.213 169 G C 0.044 174.935 174.900 -0.015 0.000 0.991 169 G CA 0.190 45.285 45.100 -0.008 0.000 0.653 169 G HN 0.236 nan 8.290 nan 0.000 0.518 170 L N -0.365 120.825 121.223 -0.055 0.000 2.760 170 L HA 0.796 5.136 4.340 0.000 0.000 0.213 170 L C 1.008 177.770 176.870 -0.180 0.000 2.003 170 L CA -0.538 54.253 54.840 -0.081 0.000 2.737 170 L CB 0.249 42.233 42.059 -0.125 0.000 2.794 170 L HN 0.444 nan 8.230 nan 0.000 0.633 171 E N 0.136 120.111 120.200 -0.376 0.000 2.431 171 E HA 0.484 4.834 4.350 0.000 0.000 0.268 171 E C -1.403 174.751 176.600 -0.743 0.000 0.953 171 E CA -0.849 55.236 56.400 -0.524 0.000 0.810 171 E CB 2.221 31.597 29.700 -0.539 0.000 1.369 171 E HN 0.219 nan 8.360 nan 0.000 0.440 172 L N 1.020 121.902 121.223 -0.567 0.000 2.276 172 L HA 0.433 4.773 4.340 0.000 0.000 0.286 172 L C -1.626 174.928 176.870 -0.526 0.000 1.061 172 L CA -0.173 54.424 54.840 -0.406 0.000 0.807 172 L CB 0.169 42.103 42.059 -0.208 0.000 1.177 172 L HN 0.451 nan 8.230 nan 0.000 0.429 173 F N 3.475 123.400 119.950 -0.043 0.000 2.411 173 F HA 0.508 5.035 4.527 0.000 0.000 0.352 173 F C 0.307 176.101 175.800 -0.010 0.000 1.123 173 F CA -0.497 57.496 58.000 -0.013 0.000 1.044 173 F CB 1.189 40.193 39.000 0.007 0.000 1.135 173 F HN 0.512 nan 8.300 nan 0.000 0.461 174 E N 2.184 122.465 120.200 0.136 0.000 2.221 174 E HA 0.538 4.888 4.350 0.000 0.000 0.268 174 E C -1.211 175.441 176.600 0.087 0.000 0.933 174 E CA -1.205 55.243 56.400 0.080 0.000 0.809 174 E CB 1.960 31.683 29.700 0.038 0.000 1.190 174 E HN 0.547 nan 8.360 nan 0.000 0.406 175 N N -0.169 118.567 118.700 0.061 0.000 2.277 175 N HA 0.448 5.189 4.740 0.000 0.000 0.286 175 N C -1.666 173.868 175.510 0.040 0.000 1.140 175 N CA -0.536 52.547 53.050 0.054 0.000 0.799 175 N CB 2.336 40.855 38.487 0.054 0.000 1.596 175 N HN 0.255 nan 8.380 nan 0.000 0.473 176 T N -0.174 114.403 114.554 0.038 0.000 2.900 176 T HA 0.534 4.884 4.350 0.000 0.000 0.295 176 T C -0.178 174.543 174.700 0.036 0.000 1.044 176 T CA -0.833 61.287 62.100 0.034 0.000 0.995 176 T CB 1.325 70.212 68.868 0.031 0.000 1.072 176 T HN 0.538 nan 8.240 nan 0.000 0.473 177 S N 1.375 117.097 115.700 0.037 0.000 2.686 177 S HA 0.777 5.247 4.470 0.000 0.000 0.270 177 S C 0.510 175.137 174.600 0.045 0.000 1.194 177 S CA -0.828 57.396 58.200 0.039 0.000 0.990 177 S CB 0.456 63.679 63.200 0.039 0.000 1.029 177 S HN 1.025 nan 8.310 nan 0.000 0.560 178 A N 1.820 124.668 122.820 0.048 0.000 2.407 178 A HA 0.579 4.899 4.320 0.000 0.000 0.248 178 A C -1.894 175.734 177.584 0.074 0.000 1.082 178 A CA -1.369 50.699 52.037 0.052 0.000 0.785 178 A CB -0.772 18.258 19.000 0.051 0.000 1.020 178 A HN 0.769 nan 8.150 nan 0.000 0.489 179 P HA 0.253 nan 4.420 nan 0.000 0.276 179 P C -1.383 176.008 177.300 0.151 0.000 1.252 179 P CA -0.013 63.147 63.100 0.099 0.000 0.802 179 P CB 0.622 32.352 31.700 0.050 0.000 1.035 180 Y N 0.341 120.686 120.300 0.075 0.000 2.328 180 Y HA 0.358 4.908 4.550 0.000 0.000 0.336 180 Y C -0.437 175.534 175.900 0.119 0.000 0.960 180 Y CA -0.587 57.556 58.100 0.072 0.000 1.134 180 Y CB 1.637 40.126 38.460 0.049 0.000 1.166 180 Y HN 0.292 nan 8.280 nan 0.000 0.464 181 Q N 6.140 125.602 119.800 -0.563 0.000 2.271 181 Q HA 0.373 4.713 4.340 0.000 0.000 0.258 181 Q C -1.203 174.354 176.000 -0.738 0.000 0.936 181 Q CA -0.903 54.626 55.803 -0.457 0.000 0.909 181 Q CB 2.271 30.863 28.738 -0.243 0.000 1.253 181 Q HN 0.822 nan 8.270 nan 0.000 0.440 182 L N 3.421 124.410 121.223 -0.390 0.000 2.283 182 L HA 0.163 4.503 4.340 0.000 0.000 0.287 182 L C -0.788 176.009 176.870 -0.122 0.000 1.073 182 L CA -0.282 54.427 54.840 -0.218 0.000 0.822 182 L CB 0.413 42.541 42.059 0.115 0.000 1.186 182 L HN 0.474 nan 8.230 nan 0.000 0.436 183 Q N 4.523 124.232 119.800 -0.152 0.000 2.431 183 Q HA 0.267 4.607 4.340 0.000 0.000 0.249 183 Q C -0.020 175.748 176.000 -0.387 0.000 1.025 183 Q CA -0.038 55.618 55.803 -0.245 0.000 0.835 183 Q CB 1.608 30.225 28.738 -0.202 0.000 1.207 183 Q HN 0.725 nan 8.270 nan 0.000 0.490 184 T N 0.716 115.059 114.554 -0.352 0.000 2.946 184 T HA 0.756 5.106 4.350 0.000 0.000 0.295 184 T C -0.338 173.977 174.700 -0.642 0.000 1.143 184 T CA 0.154 62.140 62.100 -0.190 0.000 0.944 184 T CB 0.528 69.520 68.868 0.206 0.000 1.800 184 T HN 0.413 nan 8.240 nan 0.000 0.590 185 F N -1.507 118.656 119.950 0.354 0.000 4.250 185 F HA 0.558 5.085 4.527 0.000 0.000 0.325 185 F C -0.813 175.216 175.800 0.380 0.000 1.197 185 F CA -0.599 57.596 58.000 0.325 0.000 0.918 185 F CB 0.396 39.497 39.000 0.168 0.000 2.018 185 F HN 0.371 nan 8.300 nan 0.000 0.435 186 V N 1.989 122.225 119.914 0.536 0.000 2.981 186 V HA -0.027 4.093 4.120 0.000 0.000 0.433 186 V C -1.824 174.420 176.094 0.250 0.000 0.682 186 V CA -0.696 61.789 62.300 0.309 0.000 1.966 186 V CB -0.333 31.630 31.823 0.233 0.000 2.457 186 V HN 0.588 nan 8.190 nan 0.000 0.487 187 L N 8.859 130.185 121.223 0.172 0.000 2.356 187 L HA 0.682 5.022 4.340 0.000 0.000 0.264 187 L C -1.503 175.418 176.870 0.085 0.000 1.029 187 L CA -1.508 53.402 54.840 0.117 0.000 0.897 187 L CB 1.301 43.398 42.059 0.064 0.000 1.256 187 L HN 0.552 nan 8.230 nan 0.000 0.444 188 P HA 0.026 nan 4.420 nan 0.000 0.266 188 P C -0.543 176.786 177.300 0.048 0.000 1.193 188 P CA -0.229 62.908 63.100 0.062 0.000 0.770 188 P CB 0.779 32.514 31.700 0.060 0.000 0.836 189 A N 2.175 125.018 122.820 0.037 0.000 3.091 189 A HA 0.431 4.751 4.320 0.000 0.000 0.264 189 A C 0.650 178.249 177.584 0.025 0.000 1.673 189 A CA -0.002 52.052 52.037 0.029 0.000 1.362 189 A CB -1.173 17.841 19.000 0.024 0.000 1.137 189 A HN 0.644 nan 8.150 nan 0.000 0.617 190 T N -1.400 113.170 114.554 0.027 0.000 2.933 190 T HA 0.647 4.997 4.350 0.000 0.000 0.305 190 T C -3.429 171.285 174.700 0.024 0.000 1.092 190 T CA -1.809 60.304 62.100 0.022 0.000 1.008 190 T CB 1.821 70.700 68.868 0.018 0.000 1.102 190 T HN 0.054 nan 8.240 nan 0.000 0.469 191 P HA 0.305 nan 4.420 nan 0.000 0.271 191 P C -2.353 174.957 177.300 0.016 0.000 1.218 191 P CA -0.975 62.138 63.100 0.021 0.000 0.780 191 P CB -0.072 31.637 31.700 0.016 0.000 0.901 192 P HA 0.034 nan 4.420 nan 0.000 0.272 192 P C -0.521 176.769 177.300 -0.017 0.000 1.230 192 P CA -0.123 62.978 63.100 0.002 0.000 0.788 192 P CB 0.662 32.393 31.700 0.051 0.000 0.949 193 Q N 0.978 120.745 119.800 -0.055 0.000 2.296 193 Q HA 0.260 4.600 4.340 0.000 0.000 0.262 193 Q C -1.036 174.944 176.000 -0.033 0.000 0.981 193 Q CA -0.360 55.416 55.803 -0.045 0.000 0.905 193 Q CB 0.433 29.133 28.738 -0.063 0.000 1.186 193 Q HN 0.293 nan 8.270 nan 0.000 0.399 194 L N 5.182 126.398 121.223 -0.012 0.000 2.342 194 L HA 0.384 4.724 4.340 0.000 0.000 0.276 194 L C -1.418 175.453 176.870 0.001 0.000 0.997 194 L CA -0.505 54.336 54.840 0.001 0.000 0.838 194 L CB 1.814 43.882 42.059 0.015 0.000 1.224 194 L HN 0.309 nan 8.230 nan 0.000 0.416 195 V N 4.126 124.040 119.914 0.000 0.000 2.370 195 V HA 0.830 4.950 4.120 0.000 0.000 0.283 195 V C -0.055 176.045 176.094 0.009 0.000 1.023 195 V CA -0.222 62.079 62.300 0.002 0.000 0.857 195 V CB 1.295 33.116 31.823 -0.003 0.000 0.985 195 V HN 0.843 nan 8.190 nan 0.000 0.443 196 S N 5.981 121.688 115.700 0.011 0.000 2.552 196 S HA 0.620 5.090 4.470 0.000 0.000 0.272 196 S C -3.085 171.526 174.600 0.018 0.000 1.150 196 S CA -0.921 57.289 58.200 0.016 0.000 0.849 196 S CB 2.408 65.619 63.200 0.018 0.000 1.113 196 S HN 0.606 nan 8.310 nan 0.000 0.458 197 P HA 0.317 nan 4.420 nan 0.000 0.271 197 P C 0.185 177.504 177.300 0.031 0.000 1.220 197 P CA -0.437 62.680 63.100 0.029 0.000 0.768 197 P CB 0.479 32.203 31.700 0.040 0.000 0.848 198 R N 1.187 121.701 120.500 0.024 0.000 2.328 198 R HA 0.114 4.454 4.340 0.000 0.000 0.207 198 R C 0.430 176.748 176.300 0.030 0.000 1.056 198 R CA 0.375 56.486 56.100 0.019 0.000 1.016 198 R CB -0.340 29.964 30.300 0.006 0.000 0.872 198 R HN 0.328 nan 8.270 nan 0.000 0.471 199 V N 1.165 121.111 119.914 0.052 0.000 2.841 199 V HA 0.410 4.530 4.120 0.000 0.000 0.310 199 V C -1.204 174.999 176.094 0.183 0.000 1.090 199 V CA -1.033 61.329 62.300 0.104 0.000 0.930 199 V CB 2.564 34.410 31.823 0.038 0.000 1.014 199 V HN -0.064 nan 8.190 nan 0.000 0.425 200 L N 3.075 124.455 121.223 0.261 0.000 2.543 200 L HA 0.546 4.886 4.340 0.000 0.000 0.265 200 L C -0.407 176.443 176.870 -0.033 0.000 0.945 200 L CA -0.003 54.932 54.840 0.158 0.000 0.869 200 L CB 2.050 44.145 42.059 0.059 0.000 1.294 200 L HN 0.806 nan 8.230 nan 0.000 0.405 201 E N 2.424 122.455 120.200 -0.281 0.000 2.373 201 E HA 0.370 4.720 4.350 0.000 0.000 0.263 201 E C -0.823 175.552 176.600 -0.376 0.000 1.073 201 E CA -0.638 55.289 56.400 -0.788 0.000 0.894 201 E CB 1.352 30.662 29.700 -0.651 0.000 1.008 201 E HN 0.536 nan 8.360 nan 0.000 0.420 202 V N 4.141 123.836 119.914 -0.364 0.000 2.763 202 V HA -0.095 4.025 4.120 0.000 0.000 0.306 202 V C 0.183 176.198 176.094 -0.132 0.000 1.059 202 V CA 0.716 62.907 62.300 -0.182 0.000 1.138 202 V CB 0.715 32.455 31.823 -0.138 0.000 0.940 202 V HN 0.960 nan 8.190 nan 0.000 0.489 203 D N 1.373 121.723 120.400 -0.084 0.000 3.012 203 D HA -0.142 4.498 4.640 0.000 0.000 0.222 203 D C 0.544 176.812 176.300 -0.054 0.000 1.167 203 D CA 1.547 55.512 54.000 -0.058 0.000 0.854 203 D CB -1.145 39.626 40.800 -0.049 0.000 1.107 203 D HN 0.924 nan 8.370 nan 0.000 0.421 204 T N -3.538 110.979 114.554 -0.063 0.000 2.910 204 T HA 0.585 4.935 4.350 0.000 0.000 0.287 204 T C -0.206 174.476 174.700 -0.030 0.000 1.050 204 T CA -0.812 61.262 62.100 -0.044 0.000 1.011 204 T CB 3.087 71.925 68.868 -0.049 0.000 1.195 204 T HN 0.049 nan 8.240 nan 0.000 0.540 205 Q N -0.479 119.311 119.800 -0.016 0.000 2.274 205 Q HA 0.628 4.968 4.340 0.000 0.000 0.260 205 Q C -0.312 175.688 176.000 0.000 0.000 0.974 205 Q CA -0.822 54.976 55.803 -0.008 0.000 0.876 205 Q CB 1.365 30.100 28.738 -0.005 0.000 1.297 205 Q HN 1.046 nan 8.270 nan 0.000 0.446 206 G N 0.748 109.549 108.800 0.003 0.000 2.568 206 G HA2 0.637 4.597 3.960 0.000 0.000 0.313 206 G HA3 0.637 4.597 3.960 0.000 0.000 0.313 206 G C -1.266 173.640 174.900 0.011 0.000 1.227 206 G CA -0.431 44.676 45.100 0.011 0.000 0.979 206 G HN 0.508 nan 8.290 nan 0.000 0.486 207 T N 0.251 114.814 114.554 0.014 0.000 2.949 207 T HA 0.491 4.841 4.350 0.000 0.000 0.300 207 T C -0.581 174.128 174.700 0.015 0.000 0.988 207 T CA -0.222 61.885 62.100 0.013 0.000 0.993 207 T CB 1.501 70.376 68.868 0.012 0.000 0.984 207 T HN 0.365 nan 8.240 nan 0.000 0.442 208 V N 3.719 123.643 119.914 0.017 0.000 2.547 208 V HA 0.714 4.834 4.120 0.000 0.000 0.299 208 V C -0.383 175.724 176.094 0.022 0.000 1.040 208 V CA -0.670 61.642 62.300 0.020 0.000 0.913 208 V CB 2.054 33.892 31.823 0.024 0.000 0.992 208 V HN 0.670 nan 8.190 nan 0.000 0.449 209 V N 3.255 123.181 119.914 0.020 0.000 2.569 209 V HA 0.400 4.520 4.120 0.000 0.000 0.301 209 V C -0.566 175.538 176.094 0.016 0.000 1.044 209 V CA -0.467 61.844 62.300 0.018 0.000 0.874 209 V CB 1.769 33.593 31.823 0.003 0.000 1.002 209 V HN 1.017 nan 8.190 nan 0.000 0.424 210 c N 5.008 123.631 118.600 0.040 0.000 2.456 210 c HA 0.966 5.536 4.570 0.000 0.000 0.325 210 c C 0.267 174.313 174.090 -0.073 0.000 1.217 210 c CA 0.113 56.462 56.329 0.035 0.000 1.687 210 c CB 0.948 43.539 42.510 0.135 0.000 2.270 210 c HN 1.125 nan 8.230 nan 0.000 0.499 211 S N 4.706 120.252 115.700 -0.257 0.000 2.596 211 S HA 0.887 5.357 4.470 0.000 0.000 0.270 211 S C -1.435 172.791 174.600 -0.624 0.000 1.155 211 S CA -0.699 57.123 58.200 -0.630 0.000 0.827 211 S CB 1.607 64.599 63.200 -0.348 0.000 1.130 211 S HN 1.351 nan 8.310 nan 0.000 0.467 212 L N 1.239 121.971 121.223 -0.818 0.000 2.672 212 L HA 0.741 5.081 4.340 0.000 0.000 0.256 212 L C -2.265 174.476 176.870 -0.215 0.000 0.946 212 L CA -0.112 54.505 54.840 -0.372 0.000 0.889 212 L CB 2.067 44.015 42.059 -0.185 0.000 1.441 212 L HN 1.141 nan 8.230 nan 0.000 0.418 213 D N 1.578 121.944 120.400 -0.057 0.000 2.592 213 D HA 0.712 5.352 4.640 0.000 0.000 0.263 213 D C 0.533 176.872 176.300 0.064 0.000 1.132 213 D CA -0.061 53.953 54.000 0.023 0.000 0.996 213 D CB 1.434 42.239 40.800 0.008 0.000 1.442 213 D HN 1.135 nan 8.370 nan 0.000 0.486 214 G N -0.698 108.154 108.800 0.087 0.000 2.136 214 G HA2 -0.130 3.830 3.960 0.000 0.000 0.242 214 G HA3 -0.130 3.830 3.960 0.000 0.000 0.242 214 G C 0.073 175.054 174.900 0.135 0.000 0.989 214 G CA 0.609 45.764 45.100 0.091 0.000 0.682 214 G HN 0.904 nan 8.290 nan 0.000 0.522 215 L N -2.737 118.596 121.223 0.183 0.000 2.322 215 L HA 1.040 5.380 4.340 0.000 0.000 0.269 215 L C -0.442 176.622 176.870 0.323 0.000 1.012 215 L CA -1.666 53.315 54.840 0.236 0.000 0.815 215 L CB 2.112 44.309 42.059 0.230 0.000 1.295 215 L HN 0.317 nan 8.230 nan 0.000 0.438 216 F N 1.618 121.656 119.950 0.146 0.000 2.635 216 F HA 0.629 5.156 4.527 0.000 0.000 0.314 216 F C -2.970 172.924 175.800 0.157 0.000 1.119 216 F CA -1.618 56.451 58.000 0.114 0.000 1.000 216 F CB 2.438 41.482 39.000 0.074 0.000 1.278 216 F HN 0.276 nan 8.300 nan 0.000 0.446 217 P HA 0.190 nan 4.420 nan 0.000 0.288 217 P C 0.624 177.780 177.300 -0.239 0.000 1.363 217 P CA -0.006 62.636 63.100 -0.763 0.000 0.837 217 P CB 1.558 32.730 31.700 -0.880 0.000 0.981 218 V N 3.891 123.743 119.914 -0.104 0.000 2.370 218 V HA -0.303 3.817 4.120 0.000 0.000 0.252 218 V C 2.009 177.967 176.094 -0.227 0.000 1.068 218 V CA 3.098 65.391 62.300 -0.012 0.000 1.061 218 V CB -0.861 31.049 31.823 0.146 0.000 0.656 218 V HN 0.611 nan 8.190 nan 0.000 0.455 219 S N -1.134 114.279 115.700 -0.478 0.000 2.442 219 S HA -0.173 4.297 4.470 0.000 0.000 0.236 219 S C 1.654 176.083 174.600 -0.285 0.000 1.007 219 S CA 1.555 59.356 58.200 -0.665 0.000 0.965 219 S CB -0.420 62.449 63.200 -0.551 0.000 0.773 219 S HN 0.821 nan 8.310 nan 0.000 0.504 220 E N 1.145 121.241 120.200 -0.174 0.000 2.447 220 E HA 0.359 4.709 4.350 0.000 0.000 0.195 220 E C 0.759 177.345 176.600 -0.024 0.000 1.028 220 E CA 0.148 56.511 56.400 -0.061 0.000 0.876 220 E CB 0.182 29.882 29.700 -0.000 0.000 0.885 220 E HN 0.668 nan 8.360 nan 0.000 0.500 221 A N 1.610 124.407 122.820 -0.038 0.000 2.445 221 A HA 0.062 4.382 4.320 0.000 0.000 0.242 221 A C 0.154 177.658 177.584 -0.133 0.000 1.075 221 A CA -0.034 51.958 52.037 -0.075 0.000 0.777 221 A CB 0.389 19.349 19.000 -0.066 0.000 1.013 221 A HN -0.016 nan 8.150 nan 0.000 0.493 222 Q N 0.992 120.682 119.800 -0.183 0.000 2.290 222 Q HA 0.440 4.780 4.340 0.000 0.000 0.259 222 Q C -1.030 174.784 176.000 -0.310 0.000 0.941 222 Q CA -0.375 55.296 55.803 -0.220 0.000 0.912 222 Q CB 1.755 30.335 28.738 -0.263 0.000 1.244 222 Q HN 0.437 nan 8.270 nan 0.000 0.441 223 V N 3.981 123.760 119.914 -0.226 0.000 2.347 223 V HA 0.218 4.338 4.120 0.000 0.000 0.280 223 V C -0.610 175.534 176.094 0.084 0.000 1.021 223 V CA -0.770 61.428 62.300 -0.171 0.000 0.847 223 V CB 0.953 32.614 31.823 -0.270 0.000 0.990 223 V HN 0.595 nan 8.190 nan 0.000 0.444 224 H N 4.898 123.952 119.070 -0.026 0.000 2.581 224 H HA 0.633 5.189 4.556 0.000 0.000 0.308 224 H C -0.693 174.641 175.328 0.010 0.000 1.040 224 H CA -0.828 55.212 56.048 -0.012 0.000 1.231 224 H CB 1.487 31.240 29.762 -0.014 0.000 1.396 224 H HN 0.410 nan 8.280 nan 0.000 0.467 225 L N 2.591 123.885 121.223 0.119 0.000 2.346 225 L HA 0.777 5.117 4.340 0.000 0.000 0.276 225 L C -0.699 176.191 176.870 0.033 0.000 1.006 225 L CA -0.435 54.449 54.840 0.073 0.000 0.817 225 L CB 1.372 43.471 42.059 0.065 0.000 1.272 225 L HN 0.787 nan 8.230 nan 0.000 0.421 226 A N 4.037 126.873 122.820 0.027 0.000 2.594 226 A HA 0.651 4.971 4.320 0.000 0.000 0.296 226 A C -2.341 175.249 177.584 0.010 0.000 1.056 226 A CA -0.503 51.538 52.037 0.007 0.000 0.693 226 A CB 1.211 20.205 19.000 -0.010 0.000 1.278 226 A HN 0.628 nan 8.150 nan 0.000 0.408 227 L N 2.326 123.551 121.223 0.004 0.000 2.342 227 L HA 0.720 5.060 4.340 0.000 0.000 0.276 227 L C 0.823 177.693 176.870 -0.000 0.000 0.997 227 L CA 1.625 56.468 54.840 0.005 0.000 0.838 227 L CB 0.839 42.901 42.059 0.006 0.000 1.224 227 L HN 2.551 nan 8.230 nan 0.000 0.416 228 G N 4.590 113.390 108.800 0.001 0.000 2.550 228 G HA2 -0.368 3.592 3.960 0.000 0.000 0.277 228 G HA3 -0.368 3.592 3.960 0.000 0.000 0.277 228 G C 0.205 175.101 174.900 -0.007 0.000 1.190 228 G CA 0.505 45.603 45.100 -0.003 0.000 0.971 228 G HN 1.054 nan 8.290 nan 0.000 0.559 229 D N 0.740 121.134 120.400 -0.010 0.000 2.336 229 D HA 0.184 4.824 4.640 0.000 0.000 0.228 229 D C 0.926 177.215 176.300 -0.019 0.000 1.120 229 D CA 0.622 54.613 54.000 -0.015 0.000 0.839 229 D CB 0.175 40.967 40.800 -0.014 0.000 0.932 229 D HN 0.628 nan 8.370 nan 0.000 0.509 230 Q N 0.905 120.695 119.800 -0.017 0.000 2.431 230 Q HA 0.308 4.648 4.340 0.000 0.000 0.249 230 Q C -0.827 175.160 176.000 -0.022 0.000 1.025 230 Q CA -0.895 54.896 55.803 -0.019 0.000 0.835 230 Q CB 0.599 29.329 28.738 -0.014 0.000 1.207 230 Q HN -0.090 nan 8.270 nan 0.000 0.490 231 R N 2.596 123.076 120.500 -0.034 0.000 2.370 231 R HA 0.257 4.597 4.340 0.000 0.000 0.309 231 R C -0.436 175.845 176.300 -0.032 0.000 1.059 231 R CA 0.073 56.146 56.100 -0.045 0.000 0.981 231 R CB 0.211 30.465 30.300 -0.076 0.000 0.972 231 R HN 0.505 nan 8.270 nan 0.000 0.437 232 L N 2.458 123.669 121.223 -0.020 0.000 2.399 232 L HA 0.312 4.652 4.340 0.000 0.000 0.266 232 L C 0.113 176.978 176.870 -0.007 0.000 1.114 232 L CA -0.599 54.236 54.840 -0.008 0.000 0.804 232 L CB 0.712 42.774 42.059 0.005 0.000 1.146 232 L HN 0.550 nan 8.230 nan 0.000 0.451 233 N N 2.496 121.193 118.700 -0.005 0.000 2.609 233 N HA 0.337 5.077 4.740 0.000 0.000 0.234 233 N C -2.406 173.105 175.510 0.001 0.000 1.001 233 N CA -1.124 51.924 53.050 -0.004 0.000 0.926 233 N CB 0.675 39.158 38.487 -0.007 0.000 1.130 233 N HN 0.370 nan 8.380 nan 0.000 0.510 234 P HA 0.311 nan 4.420 nan 0.000 0.281 234 P C -0.636 176.659 177.300 -0.008 0.000 1.264 234 P CA -0.357 62.747 63.100 0.007 0.000 0.824 234 P CB 1.191 32.904 31.700 0.023 0.000 1.092 235 T N 0.806 115.353 114.554 -0.011 0.000 2.874 235 T HA 0.276 4.626 4.350 0.000 0.000 0.321 235 T C 0.091 174.757 174.700 -0.056 0.000 1.075 235 T CA -0.365 61.718 62.100 -0.030 0.000 0.966 235 T CB 0.097 68.954 68.868 -0.020 0.000 1.001 235 T HN 0.084 nan 8.240 nan 0.000 0.476 236 V N 4.340 124.184 119.914 -0.117 0.000 2.555 236 V HA 0.324 4.444 4.120 0.000 0.000 0.286 236 V C 0.673 176.547 176.094 -0.366 0.000 1.044 236 V CA -0.316 61.841 62.300 -0.239 0.000 1.026 236 V CB 0.890 32.481 31.823 -0.387 0.000 0.981 236 V HN 0.824 nan 8.190 nan 0.000 0.480 237 T N 5.193 119.570 114.554 -0.295 0.000 2.786 237 T HA 0.575 4.925 4.350 0.000 0.000 0.283 237 T C -0.676 173.894 174.700 -0.217 0.000 0.992 237 T CA -0.220 61.748 62.100 -0.219 0.000 0.954 237 T CB 0.581 69.412 68.868 -0.063 0.000 0.934 237 T HN 0.431 nan 8.240 nan 0.000 0.440 238 Y N 1.019 121.380 120.300 0.101 0.000 2.403 238 Y HA 0.710 5.260 4.550 0.000 0.000 0.323 238 Y C 1.125 177.077 175.900 0.086 0.000 1.226 238 Y CA -0.404 57.764 58.100 0.113 0.000 1.235 238 Y CB 1.520 40.031 38.460 0.085 0.000 1.248 238 Y HN 0.870 nan 8.280 nan 0.000 0.489 239 G N -0.212 108.757 108.800 0.282 0.000 2.815 239 G HA2 0.056 4.016 3.960 0.000 0.000 0.305 239 G HA3 0.056 4.016 3.960 0.000 0.000 0.305 239 G C -1.342 173.647 174.900 0.148 0.000 1.277 239 G CA -1.119 44.080 45.100 0.165 0.000 0.795 239 G HN 0.591 nan 8.290 nan 0.000 0.528 240 N N 1.601 120.364 118.700 0.106 0.000 2.383 240 N HA 0.006 4.746 4.740 0.000 0.000 0.295 240 N C -0.469 175.110 175.510 0.114 0.000 1.281 240 N CA 0.515 53.621 53.050 0.095 0.000 1.048 240 N CB -0.255 38.272 38.487 0.066 0.000 1.455 240 N HN 0.424 nan 8.380 nan 0.000 0.488 241 D N 0.853 121.341 120.400 0.147 0.000 2.708 241 D HA -0.163 4.477 4.640 0.000 0.000 0.236 241 D C -0.600 175.808 176.300 0.180 0.000 1.146 241 D CA 1.048 55.157 54.000 0.181 0.000 0.662 241 D CB -1.245 39.656 40.800 0.168 0.000 1.059 241 D HN 0.648 nan 8.370 nan 0.000 0.428 242 S N -0.872 114.951 115.700 0.205 0.000 2.625 242 S HA 0.829 5.299 4.470 0.000 0.000 0.271 242 S C -0.800 173.990 174.600 0.317 0.000 1.161 242 S CA -1.157 57.157 58.200 0.189 0.000 0.820 242 S CB 2.956 66.203 63.200 0.079 0.000 1.137 242 S HN 0.348 nan 8.310 nan 0.000 0.470 243 F N -1.123 118.900 119.950 0.122 0.000 2.645 243 F HA 0.880 5.407 4.527 0.000 0.000 0.310 243 F C -1.003 174.797 175.800 0.001 0.000 1.102 243 F CA -0.671 57.371 58.000 0.070 0.000 0.952 243 F CB 1.557 40.620 39.000 0.104 0.000 1.326 243 F HN 0.772 nan 8.300 nan 0.000 0.456 244 S N 1.935 117.689 115.700 0.090 0.000 2.733 244 S HA 0.821 5.291 4.470 0.000 0.000 0.294 244 S C -1.261 173.437 174.600 0.163 0.000 1.149 244 S CA -0.079 58.115 58.200 -0.010 0.000 1.034 244 S CB 0.782 63.958 63.200 -0.040 0.000 1.015 244 S HN 1.362 nan 8.310 nan 0.000 0.486 245 A N 4.837 127.799 122.820 0.237 0.000 2.258 245 A HA 0.686 5.006 4.320 0.000 0.000 0.316 245 A C -0.281 177.354 177.584 0.084 0.000 1.279 245 A CA -0.700 51.442 52.037 0.176 0.000 0.876 245 A CB 0.669 19.823 19.000 0.256 0.000 1.170 245 A HN 0.753 nan 8.150 nan 0.000 0.520 246 K N 2.087 122.511 120.400 0.040 0.000 2.207 246 K HA 0.777 5.097 4.320 0.000 0.000 0.255 246 K C -0.750 175.862 176.600 0.020 0.000 0.941 246 K CA -0.360 55.941 56.287 0.024 0.000 0.825 246 K CB 1.566 34.073 32.500 0.011 0.000 1.119 246 K HN 0.919 nan 8.250 nan 0.000 0.430 247 A N 2.172 125.003 122.820 0.019 0.000 2.549 247 A HA 0.543 4.863 4.320 0.000 0.000 0.297 247 A C -1.306 176.284 177.584 0.011 0.000 1.061 247 A CA -0.788 51.258 52.037 0.014 0.000 0.690 247 A CB 1.872 20.883 19.000 0.018 0.000 1.287 247 A HN 0.621 nan 8.150 nan 0.000 0.402 248 S N -0.391 115.313 115.700 0.007 0.000 2.608 248 S HA 0.733 5.203 4.470 0.000 0.000 0.291 248 S C -0.682 173.920 174.600 0.003 0.000 1.146 248 S CA -0.563 57.640 58.200 0.005 0.000 1.043 248 S CB 1.648 64.849 63.200 0.002 0.000 1.037 248 S HN 1.572 nan 8.310 nan 0.000 0.520 249 V N 1.940 121.855 119.914 0.002 0.000 2.808 249 V HA 0.678 4.798 4.120 0.000 0.000 0.308 249 V C -1.084 175.006 176.094 -0.005 0.000 1.099 249 V CA -0.276 62.023 62.300 -0.001 0.000 0.920 249 V CB 2.257 34.081 31.823 0.002 0.000 1.014 249 V HN 0.862 nan 8.190 nan 0.000 0.425 250 S N 4.498 120.193 115.700 -0.010 0.000 2.482 250 S HA 0.842 5.312 4.470 0.000 0.000 0.303 250 S C -0.687 173.901 174.600 -0.019 0.000 1.091 250 S CA -0.526 57.665 58.200 -0.015 0.000 1.057 250 S CB 1.842 65.033 63.200 -0.015 0.000 1.031 250 S HN 0.722 nan 8.310 nan 0.000 0.485 251 V N 2.255 122.152 119.914 -0.028 0.000 2.919 251 V HA 0.792 4.912 4.120 0.000 0.000 0.316 251 V C 0.317 176.387 176.094 -0.039 0.000 1.077 251 V CA -0.718 61.562 62.300 -0.032 0.000 0.977 251 V CB 2.197 33.997 31.823 -0.039 0.000 1.039 251 V HN 1.054 nan 8.190 nan 0.000 0.441 252 T N -0.880 113.654 114.554 -0.034 0.000 2.831 252 T HA 0.675 5.025 4.350 0.000 0.000 0.287 252 T C 1.034 175.714 174.700 -0.034 0.000 1.070 252 T CA 0.026 62.106 62.100 -0.034 0.000 1.010 252 T CB 1.715 70.568 68.868 -0.024 0.000 1.264 252 T HN 0.819 nan 8.240 nan 0.000 0.532 253 A N 0.499 123.302 122.820 -0.029 0.000 1.948 253 A HA -0.145 4.175 4.320 0.000 0.000 0.220 253 A C 2.105 179.680 177.584 -0.016 0.000 1.177 253 A CA 2.136 54.159 52.037 -0.023 0.000 0.636 253 A CB -1.290 17.700 19.000 -0.016 0.000 0.815 253 A HN 1.004 nan 8.150 nan 0.000 0.449 254 E N -0.127 120.064 120.200 -0.014 0.000 2.153 254 E HA -0.203 4.147 4.350 0.000 0.000 0.194 254 E C 0.512 177.106 176.600 -0.010 0.000 0.988 254 E CA 1.241 57.635 56.400 -0.011 0.000 0.811 254 E CB -0.439 29.255 29.700 -0.010 0.000 0.746 254 E HN 0.540 nan 8.360 nan 0.000 0.466 255 D N 1.376 121.768 120.400 -0.013 0.000 2.349 255 D HA -0.002 4.638 4.640 0.000 0.000 0.224 255 D C -0.176 176.119 176.300 -0.007 0.000 1.029 255 D CA 0.269 54.262 54.000 -0.011 0.000 0.879 255 D CB -0.092 40.699 40.800 -0.014 0.000 0.906 255 D HN 0.340 nan 8.370 nan 0.000 0.528 256 E N 0.748 120.943 120.200 -0.008 0.000 2.529 256 E HA 0.263 4.613 4.350 0.000 0.000 0.259 256 E C 0.925 177.530 176.600 0.007 0.000 0.966 256 E CA 0.393 56.794 56.400 0.001 0.000 0.937 256 E CB 0.514 30.216 29.700 0.003 0.000 0.923 256 E HN 0.241 nan 8.360 nan 0.000 0.468 257 G N 2.316 111.126 108.800 0.016 0.000 2.362 257 G HA2 -0.167 3.793 3.960 0.000 0.000 0.517 257 G HA3 -0.167 3.793 3.960 0.000 0.000 0.517 257 G C -0.535 174.372 174.900 0.012 0.000 1.256 257 G CA -0.793 44.314 45.100 0.010 0.000 1.027 257 G HN 0.440 nan 8.290 nan 0.000 0.491 258 T N 2.269 116.825 114.554 0.004 0.000 2.814 258 T HA 0.545 4.895 4.350 0.000 0.000 0.297 258 T C 0.077 174.780 174.700 0.005 0.000 0.956 258 T CA 0.187 62.289 62.100 0.005 0.000 1.123 258 T CB 0.894 69.761 68.868 -0.002 0.000 0.902 258 T HN 0.515 nan 8.240 nan 0.000 0.528 259 Q N 2.227 122.032 119.800 0.008 0.000 2.351 259 Q HA 0.469 4.809 4.340 0.000 0.000 0.273 259 Q C -0.336 175.669 176.000 0.007 0.000 1.077 259 Q CA -0.805 55.002 55.803 0.006 0.000 0.843 259 Q CB 2.342 31.084 28.738 0.007 0.000 1.367 259 Q HN 0.512 nan 8.270 nan 0.000 0.449 260 R N 1.165 121.669 120.500 0.006 0.000 2.295 260 R HA 0.438 4.778 4.340 0.000 0.000 0.324 260 R C -0.972 175.335 176.300 0.011 0.000 0.968 260 R CA -0.634 55.471 56.100 0.008 0.000 0.837 260 R CB 0.658 30.962 30.300 0.007 0.000 1.133 260 R HN 0.377 nan 8.270 nan 0.000 0.450 261 L N 4.170 125.402 121.223 0.014 0.000 2.282 261 L HA 0.480 4.820 4.340 0.000 0.000 0.288 261 L C -0.711 176.173 176.870 0.023 0.000 1.033 261 L CA 0.187 55.038 54.840 0.018 0.000 0.807 261 L CB 1.748 43.818 42.059 0.019 0.000 1.209 261 L HN 0.774 nan 8.230 nan 0.000 0.423 262 T N 1.672 116.243 114.554 0.029 0.000 2.900 262 T HA 0.586 4.936 4.350 0.000 0.000 0.295 262 T C -0.886 173.846 174.700 0.054 0.000 1.044 262 T CA -0.717 61.405 62.100 0.038 0.000 0.995 262 T CB 1.256 70.146 68.868 0.037 0.000 1.072 262 T HN 0.763 nan 8.240 nan 0.000 0.473 263 c N 2.866 121.503 118.600 0.063 0.000 2.431 263 c HA 0.900 5.470 4.570 0.000 0.000 0.321 263 c C -0.245 173.897 174.090 0.086 0.000 1.202 263 c CA -0.024 56.358 56.329 0.087 0.000 1.398 263 c CB -0.282 42.284 42.510 0.092 0.000 2.047 263 c HN 1.308 nan 8.230 nan 0.000 0.465 264 A N 5.175 128.052 122.820 0.094 0.000 2.374 264 A HA 0.796 5.116 4.320 0.000 0.000 0.305 264 A C -1.229 176.359 177.584 0.007 0.000 1.053 264 A CA -0.361 51.707 52.037 0.051 0.000 0.726 264 A CB 1.355 20.382 19.000 0.045 0.000 1.229 264 A HN 0.931 nan 8.150 nan 0.000 0.431 265 V N 3.551 123.475 119.914 0.017 0.000 2.384 265 V HA 0.497 4.617 4.120 0.000 0.000 0.287 265 V C -0.407 175.644 176.094 -0.072 0.000 1.020 265 V CA -0.147 62.153 62.300 0.000 0.000 0.850 265 V CB 0.980 32.902 31.823 0.165 0.000 0.987 265 V HN 0.717 nan 8.190 nan 0.000 0.436 266 I N 5.783 126.254 120.570 -0.165 0.000 2.465 266 I HA 0.575 4.745 4.170 0.000 0.000 0.291 266 I C -0.780 175.227 176.117 -0.184 0.000 1.014 266 I CA -0.463 60.726 61.300 -0.186 0.000 1.093 266 I CB 2.057 39.900 38.000 -0.261 0.000 1.267 266 I HN 0.356 nan 8.210 nan 0.000 0.431 267 L N 5.075 126.170 121.223 -0.213 0.000 2.438 267 L HA 0.621 4.961 4.340 0.000 0.000 0.270 267 L C 0.709 177.247 176.870 -0.553 0.000 0.972 267 L CA -0.206 54.433 54.840 -0.335 0.000 0.831 267 L CB 1.804 43.725 42.059 -0.229 0.000 1.273 267 L HN 0.928 nan 8.230 nan 0.000 0.405 268 G N 3.376 111.741 108.800 -0.725 0.000 2.591 268 G HA2 -0.348 3.612 3.960 0.000 0.000 0.298 268 G HA3 -0.348 3.612 3.960 0.000 0.000 0.298 268 G C 0.479 175.105 174.900 -0.457 0.000 1.195 268 G CA 0.515 45.187 45.100 -0.714 0.000 0.989 268 G HN 0.679 nan 8.290 nan 0.000 0.551 269 N N 1.845 120.334 118.700 -0.352 0.000 2.238 269 N HA 0.167 4.907 4.740 0.000 0.000 0.222 269 N C 0.406 175.825 175.510 -0.152 0.000 1.133 269 N CA 0.399 53.312 53.050 -0.227 0.000 0.854 269 N CB 0.852 39.236 38.487 -0.173 0.000 1.041 269 N HN 0.633 nan 8.380 nan 0.000 0.510 270 Q N 0.248 119.948 119.800 -0.167 0.000 2.345 270 Q HA 0.503 4.843 4.340 0.000 0.000 0.268 270 Q C -0.546 175.392 176.000 -0.103 0.000 1.054 270 Q CA -0.623 55.116 55.803 -0.106 0.000 0.835 270 Q CB 2.256 30.947 28.738 -0.080 0.000 1.339 270 Q HN 0.112 nan 8.270 nan 0.000 0.447 271 S N 1.710 117.371 115.700 -0.064 0.000 2.548 271 S HA 0.468 4.938 4.470 0.000 0.000 0.276 271 S C -1.268 173.321 174.600 -0.018 0.000 1.129 271 S CA -0.990 57.178 58.200 -0.054 0.000 0.931 271 S CB 1.761 64.923 63.200 -0.063 0.000 1.068 271 S HN 0.408 nan 8.310 nan 0.000 0.480 272 Q N 2.049 121.848 119.800 -0.000 0.000 2.322 272 Q HA 0.546 4.886 4.340 0.000 0.000 0.265 272 Q C -0.882 175.135 176.000 0.028 0.000 0.985 272 Q CA -0.289 55.527 55.803 0.020 0.000 0.849 272 Q CB 1.995 30.756 28.738 0.038 0.000 1.274 272 Q HN 0.907 nan 8.270 nan 0.000 0.449 273 E N 1.105 121.320 120.200 0.026 0.000 2.266 273 E HA 0.560 4.910 4.350 0.000 0.000 0.268 273 E C -1.148 175.470 176.600 0.030 0.000 0.879 273 E CA -0.416 56.003 56.400 0.031 0.000 0.762 273 E CB 1.634 31.349 29.700 0.026 0.000 1.199 273 E HN 0.389 nan 8.360 nan 0.000 0.422 274 T N 3.857 118.432 114.554 0.034 0.000 2.812 274 T HA 0.444 4.794 4.350 0.000 0.000 0.282 274 T C -0.641 174.075 174.700 0.026 0.000 0.990 274 T CA -0.540 61.577 62.100 0.027 0.000 0.960 274 T CB 0.485 69.369 68.868 0.027 0.000 0.948 274 T HN 0.313 nan 8.240 nan 0.000 0.438 275 L N 3.390 124.624 121.223 0.019 0.000 2.322 275 L HA 0.634 4.974 4.340 0.000 0.000 0.281 275 L C 0.072 176.950 176.870 0.014 0.000 1.014 275 L CA -0.731 54.119 54.840 0.017 0.000 0.815 275 L CB 1.645 43.712 42.059 0.014 0.000 1.247 275 L HN 0.483 nan 8.230 nan 0.000 0.421 276 Q N 0.919 120.727 119.800 0.014 0.000 2.501 276 Q HA 0.563 4.903 4.340 0.000 0.000 0.288 276 Q C -1.281 174.725 176.000 0.011 0.000 1.051 276 Q CA -0.827 54.983 55.803 0.011 0.000 0.788 276 Q CB 3.211 31.956 28.738 0.013 0.000 1.469 276 Q HN 0.526 nan 8.270 nan 0.000 0.416 277 T N 0.580 115.139 114.554 0.009 0.000 2.888 277 T HA 0.631 4.981 4.350 0.000 0.000 0.284 277 T C -0.976 173.731 174.700 0.012 0.000 1.017 277 T CA -0.509 61.596 62.100 0.008 0.000 1.022 277 T CB 1.290 70.160 68.868 0.004 0.000 1.013 277 T HN 0.254 nan 8.240 nan 0.000 0.465 278 V N 2.455 122.378 119.914 0.016 0.000 2.623 278 V HA 0.431 4.551 4.120 0.000 0.000 0.304 278 V C -0.147 175.965 176.094 0.031 0.000 1.054 278 V CA -0.863 61.453 62.300 0.025 0.000 0.882 278 V CB 2.250 34.089 31.823 0.027 0.000 1.002 278 V HN 0.986 nan 8.190 nan 0.000 0.424 279 T N 6.009 120.590 114.554 0.045 0.000 2.744 279 T HA 0.625 4.975 4.350 0.000 0.000 0.291 279 T C -0.292 174.481 174.700 0.123 0.000 0.957 279 T CA -0.114 62.021 62.100 0.059 0.000 1.002 279 T CB 0.747 69.636 68.868 0.035 0.000 0.919 279 T HN 0.309 nan 8.240 nan 0.000 0.468 280 I N 4.973 125.598 120.570 0.092 0.000 2.331 280 I HA 0.374 4.544 4.170 0.000 0.000 0.292 280 I C -0.159 176.028 176.117 0.117 0.000 0.998 280 I CA -0.707 60.638 61.300 0.075 0.000 1.267 280 I CB 0.248 38.253 38.000 0.008 0.000 1.386 280 I HN 0.601 nan 8.210 nan 0.000 0.476 281 Y N 3.126 123.426 120.300 -0.001 0.000 2.630 281 Y HA 0.873 5.423 4.550 0.000 0.000 0.337 281 Y C -0.348 175.570 175.900 0.030 0.000 1.051 281 Y CA -1.639 56.464 58.100 0.004 0.000 1.121 281 Y CB 1.758 40.217 38.460 -0.001 0.000 1.299 281 Y HN 0.395 nan 8.280 nan 0.000 0.498 282 S N 2.261 118.095 115.700 0.222 0.000 2.614 282 S HA 0.432 4.902 4.470 0.000 0.000 0.259 282 S C -2.467 172.319 174.600 0.309 0.000 1.118 282 S CA -0.468 57.848 58.200 0.193 0.000 1.065 282 S CB 0.093 63.342 63.200 0.082 0.000 1.121 282 S HN 0.618 nan 8.310 nan 0.000 0.458 283 F N 6.823 126.872 119.950 0.164 0.000 2.443 283 F HA 0.555 5.082 4.527 0.000 0.000 0.369 283 F C -2.563 173.279 175.800 0.069 0.000 1.090 283 F CA -2.402 55.658 58.000 0.100 0.000 1.129 283 F CB 0.828 39.881 39.000 0.087 0.000 1.367 283 F HN 0.307 nan 8.300 nan 0.000 0.465 284 P HA 0.178 nan 4.420 nan 0.000 0.264 284 P C -0.629 176.597 177.300 -0.124 0.000 1.193 284 P CA -0.044 63.089 63.100 0.055 0.000 0.763 284 P CB 0.584 32.335 31.700 0.084 0.000 0.810 285 A N 6.253 128.984 122.820 -0.148 0.000 2.520 285 A HA 0.258 4.578 4.320 0.000 0.000 0.245 285 A C -1.805 175.696 177.584 -0.138 0.000 1.072 285 A CA -0.961 50.951 52.037 -0.208 0.000 0.761 285 A CB -0.807 18.115 19.000 -0.129 0.000 1.004 285 A HN 0.419 nan 8.150 nan 0.000 0.499 286 P HA 0.066 nan 4.420 nan 0.000 0.260 286 P C -0.733 176.542 177.300 -0.043 0.000 1.651 286 P CA -0.281 62.778 63.100 -0.068 0.000 1.139 286 P CB -0.031 31.633 31.700 -0.059 0.000 1.756 287 N N 1.923 120.605 118.700 -0.030 0.000 2.492 287 N HA 0.093 4.833 4.740 0.000 0.000 0.262 287 N C 0.085 175.589 175.510 -0.011 0.000 1.202 287 N CA -0.119 52.919 53.050 -0.020 0.000 0.926 287 N CB 1.263 39.739 38.487 -0.018 0.000 1.078 287 N HN 0.144 nan 8.380 nan 0.000 0.454 288 V N 3.967 123.878 119.914 -0.006 0.000 2.408 288 V HA 0.177 4.297 4.120 0.000 0.000 0.267 288 V C 0.515 176.596 176.094 -0.021 0.000 1.047 288 V CA -0.404 61.894 62.300 -0.003 0.000 0.937 288 V CB 0.597 32.434 31.823 0.023 0.000 0.999 288 V HN 0.429 nan 8.190 nan 0.000 0.472 289 I N 6.781 127.328 120.570 -0.038 0.000 2.306 289 I HA 0.382 4.552 4.170 0.000 0.000 0.288 289 I C -0.094 175.971 176.117 -0.086 0.000 1.036 289 I CA -0.251 61.020 61.300 -0.049 0.000 1.221 289 I CB 1.028 39.004 38.000 -0.040 0.000 1.385 289 I HN 0.415 nan 8.210 nan 0.000 0.472 290 L N 6.162 127.333 121.223 -0.086 0.000 2.282 290 L HA 0.293 4.633 4.340 0.000 0.000 0.288 290 L C 1.708 178.526 176.870 -0.088 0.000 1.033 290 L CA -0.388 54.377 54.840 -0.125 0.000 0.807 290 L CB 1.856 43.848 42.059 -0.112 0.000 1.209 290 L HN 0.678 nan 8.230 nan 0.000 0.423 291 T N 0.469 114.965 114.554 -0.096 0.000 2.597 291 T HA -0.204 4.146 4.350 0.000 0.000 0.267 291 T C 0.627 175.298 174.700 -0.047 0.000 1.053 291 T CA 1.217 63.278 62.100 -0.064 0.000 1.165 291 T CB -0.141 68.689 68.868 -0.064 0.000 0.863 291 T HN 0.451 nan 8.240 nan 0.000 0.427 292 K N 1.400 121.771 120.400 -0.049 0.000 2.601 292 K HA 0.300 4.620 4.320 0.000 0.000 0.249 292 K C -2.186 174.396 176.600 -0.029 0.000 0.966 292 K CA -2.006 54.263 56.287 -0.031 0.000 0.827 292 K CB 2.869 35.357 32.500 -0.020 0.000 1.178 292 K HN -0.021 nan 8.250 nan 0.000 0.437 293 P HA -0.188 nan 4.420 nan 0.000 0.216 293 P C -0.270 177.035 177.300 0.008 0.000 1.153 293 P CA 1.218 64.314 63.100 -0.006 0.000 0.848 293 P CB 0.461 32.159 31.700 -0.004 0.000 0.787 294 E N -0.272 119.930 120.200 0.002 0.000 2.151 294 E HA 0.484 4.834 4.350 0.000 0.000 0.275 294 E C -1.417 175.187 176.600 0.007 0.000 0.936 294 E CA -0.726 55.678 56.400 0.005 0.000 0.777 294 E CB 1.561 31.258 29.700 -0.004 0.000 1.108 294 E HN -0.238 nan 8.360 nan 0.000 0.401 295 V N 2.605 122.529 119.914 0.017 0.000 3.159 295 V HA 0.404 4.524 4.120 0.000 0.000 0.308 295 V C -0.796 175.317 176.094 0.032 0.000 1.190 295 V CA -0.709 61.603 62.300 0.020 0.000 1.037 295 V CB 2.524 34.360 31.823 0.021 0.000 1.060 295 V HN 0.850 nan 8.190 nan 0.000 0.437 296 S N 1.215 116.935 115.700 0.033 0.000 2.565 296 S HA 0.517 4.987 4.470 0.000 0.000 0.290 296 S C -0.201 174.430 174.600 0.051 0.000 1.150 296 S CA -0.546 57.682 58.200 0.047 0.000 1.058 296 S CB 1.397 64.622 63.200 0.042 0.000 1.032 296 S HN 0.867 nan 8.310 nan 0.000 0.510 297 E N 0.803 121.042 120.200 0.066 0.000 2.900 297 E HA 0.158 4.508 4.350 0.000 0.000 0.259 297 E C 1.281 177.902 176.600 0.035 0.000 0.918 297 E CA 1.203 57.631 56.400 0.046 0.000 0.960 297 E CB -0.628 29.091 29.700 0.031 0.000 0.908 297 E HN 1.222 nan 8.360 nan 0.000 0.511 298 G N 3.313 112.131 108.800 0.030 0.000 2.259 298 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 298 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 298 G C 0.374 175.288 174.900 0.023 0.000 1.001 298 G CA 0.113 45.228 45.100 0.025 0.000 0.627 298 G HN 0.655 nan 8.290 nan 0.000 0.501 299 T N 2.548 117.116 114.554 0.024 0.000 2.926 299 T HA 0.431 4.781 4.350 0.000 0.000 0.307 299 T C 0.167 174.876 174.700 0.015 0.000 1.059 299 T CA 0.034 62.145 62.100 0.017 0.000 1.122 299 T CB 1.392 70.270 68.868 0.016 0.000 0.972 299 T HN 0.221 nan 8.240 nan 0.000 0.545 300 E N 1.797 122.002 120.200 0.007 0.000 2.316 300 E HA 0.280 4.630 4.350 0.000 0.000 0.275 300 E C -0.721 175.872 176.600 -0.011 0.000 1.029 300 E CA -0.081 56.321 56.400 0.002 0.000 0.871 300 E CB 1.140 30.839 29.700 -0.002 0.000 1.022 300 E HN 0.267 nan 8.360 nan 0.000 0.418 301 V N 3.403 123.307 119.914 -0.018 0.000 2.540 301 V HA 0.319 4.439 4.120 0.000 0.000 0.302 301 V C 0.008 176.046 176.094 -0.094 0.000 1.035 301 V CA -0.627 61.637 62.300 -0.059 0.000 0.873 301 V CB 2.248 34.035 31.823 -0.061 0.000 0.992 301 V HN 0.594 nan 8.190 nan 0.000 0.428 302 T N 4.148 118.628 114.554 -0.123 0.000 2.807 302 T HA 0.660 5.010 4.350 0.000 0.000 0.279 302 T C -0.600 173.981 174.700 -0.197 0.000 0.993 302 T CA -0.416 61.609 62.100 -0.125 0.000 0.970 302 T CB 1.649 70.471 68.868 -0.078 0.000 0.950 302 T HN 0.366 nan 8.240 nan 0.000 0.441 303 V N 4.724 124.515 119.914 -0.204 0.000 2.483 303 V HA 0.627 4.747 4.120 0.000 0.000 0.297 303 V C -0.296 175.733 176.094 -0.108 0.000 1.027 303 V CA -0.963 61.196 62.300 -0.235 0.000 0.855 303 V CB 1.450 33.041 31.823 -0.386 0.000 0.995 303 V HN 0.926 nan 8.190 nan 0.000 0.424 304 K N 2.809 123.160 120.400 -0.081 0.000 2.512 304 K HA 0.805 5.125 4.320 0.000 0.000 0.263 304 K C -1.395 175.190 176.600 -0.024 0.000 0.966 304 K CA -0.688 55.576 56.287 -0.038 0.000 0.851 304 K CB 1.995 34.476 32.500 -0.031 0.000 1.395 304 K HN 0.494 nan 8.250 nan 0.000 0.440 305 c N 0.779 119.376 118.600 -0.006 0.000 2.366 305 c HA 0.543 5.113 4.570 0.000 0.000 0.345 305 c C -0.571 173.521 174.090 0.002 0.000 1.209 305 c CA -0.396 55.934 56.329 0.002 0.000 2.050 305 c CB 0.165 42.684 42.510 0.015 0.000 2.359 305 c HN 0.889 nan 8.230 nan 0.000 0.527 306 E N 0.722 120.923 120.200 0.001 0.000 2.313 306 E HA 0.592 4.942 4.350 0.000 0.000 0.280 306 E C -0.864 175.739 176.600 0.005 0.000 0.898 306 E CA -0.017 56.385 56.400 0.004 0.000 0.803 306 E CB 1.697 31.396 29.700 -0.002 0.000 1.286 306 E HN 0.905 nan 8.360 nan 0.000 0.401 325 P HA 0.494 nan 4.420 nan 0.000 0.271 325 P C -0.104 177.201 177.300 0.009 0.000 1.218 325 P CA -0.326 62.779 63.100 0.008 0.000 0.780 325 P CB 0.597 32.301 31.700 0.007 0.000 0.901 326 R N 1.518 122.022 120.500 0.007 0.000 2.216 326 R HA 0.618 4.958 4.340 0.000 0.000 0.332 326 R C -0.336 175.968 176.300 0.006 0.000 1.056 326 R CA -0.444 55.661 56.100 0.007 0.000 0.901 326 R CB 1.029 31.331 30.300 0.004 0.000 1.039 326 R HN 0.520 nan 8.270 nan 0.000 0.456 327 A N 3.569 126.394 122.820 0.009 0.000 2.317 327 A HA 0.387 4.707 4.320 0.000 0.000 0.327 327 A C -0.548 177.040 177.584 0.006 0.000 1.178 327 A CA -0.644 51.398 52.037 0.009 0.000 0.817 327 A CB 0.997 20.005 19.000 0.014 0.000 1.189 327 A HN 0.702 nan 8.150 nan 0.000 0.489 328 Q N 0.337 120.138 119.800 0.002 0.000 2.433 328 Q HA 0.560 4.900 4.340 0.000 0.000 0.279 328 Q C -1.645 174.354 176.000 -0.001 0.000 1.105 328 Q CA -1.006 54.793 55.803 -0.007 0.000 0.815 328 Q CB 2.649 31.377 28.738 -0.017 0.000 1.403 328 Q HN 0.608 nan 8.270 nan 0.000 0.435 329 L N 2.315 123.533 121.223 -0.008 0.000 2.287 329 L HA 0.424 4.764 4.340 0.000 0.000 0.287 329 L C -1.698 175.167 176.870 -0.010 0.000 1.022 329 L CA -0.411 54.436 54.840 0.012 0.000 0.814 329 L CB 0.894 42.984 42.059 0.051 0.000 1.217 329 L HN 0.415 nan 8.230 nan 0.000 0.420 330 L N 6.615 127.844 121.223 0.010 0.000 2.334 330 L HA 0.692 5.032 4.340 0.000 0.000 0.276 330 L C -0.387 176.502 176.870 0.032 0.000 1.014 330 L CA -0.615 54.227 54.840 0.004 0.000 0.815 330 L CB 1.400 43.460 42.059 0.002 0.000 1.268 330 L HN 0.738 nan 8.230 nan 0.000 0.428 331 L N -0.273 120.971 121.223 0.035 0.000 2.653 331 L HA 0.581 4.921 4.340 0.000 0.000 0.257 331 L C -0.918 175.982 176.870 0.049 0.000 0.969 331 L CA -0.884 53.993 54.840 0.060 0.000 0.869 331 L CB 2.435 44.565 42.059 0.119 0.000 1.439 331 L HN 0.475 nan 8.230 nan 0.000 0.414 332 K N 2.293 122.720 120.400 0.045 0.000 2.262 332 K HA 0.682 5.002 4.320 0.000 0.000 0.282 332 K C 0.046 176.675 176.600 0.050 0.000 1.066 332 K CA -0.205 56.105 56.287 0.037 0.000 0.901 332 K CB 1.449 33.965 32.500 0.027 0.000 1.089 332 K HN 0.856 nan 8.250 nan 0.000 0.476 333 A N 3.316 126.169 122.820 0.054 0.000 2.546 333 A HA 0.082 4.402 4.320 0.000 0.000 0.243 333 A C 0.310 177.921 177.584 0.046 0.000 1.063 333 A CA 0.252 52.329 52.037 0.067 0.000 0.757 333 A CB -0.098 18.943 19.000 0.068 0.000 0.991 333 A HN 0.807 nan 8.150 nan 0.000 0.503 334 T N 0.194 114.773 114.554 0.042 0.000 2.942 334 T HA 0.642 4.992 4.350 0.000 0.000 0.289 334 T C -2.302 172.402 174.700 0.006 0.000 1.044 334 T CA -1.861 60.247 62.100 0.013 0.000 1.023 334 T CB 1.792 70.665 68.868 0.008 0.000 1.123 334 T HN 0.202 nan 8.240 nan 0.000 0.512 335 P HA -0.010 nan 4.420 nan 0.000 0.219 335 P C 0.862 178.167 177.300 0.007 0.000 1.146 335 P CA 0.832 63.871 63.100 -0.103 0.000 0.808 335 P CB 0.021 31.437 31.700 -0.474 0.000 0.779 336 E N -0.776 119.421 120.200 -0.005 0.000 2.472 336 E HA -0.112 4.238 4.350 0.000 0.000 0.200 336 E C 1.133 177.743 176.600 0.018 0.000 1.046 336 E CA 0.783 57.192 56.400 0.016 0.000 0.871 336 E CB -0.807 28.896 29.700 0.005 0.000 0.806 336 E HN 0.353 nan 8.360 nan 0.000 0.533 337 D N -0.240 120.178 120.400 0.030 0.000 2.354 337 D HA -0.041 4.599 4.640 0.000 0.000 0.209 337 D C 0.234 176.557 176.300 0.039 0.000 1.015 337 D CA 0.076 54.090 54.000 0.024 0.000 0.867 337 D CB -0.252 40.583 40.800 0.058 0.000 0.933 337 D HN 0.090 nan 8.370 nan 0.000 0.520 338 N N 0.530 119.270 118.700 0.066 0.000 2.411 338 N HA 0.132 4.872 4.740 0.000 0.000 0.265 338 N C 1.211 176.733 175.510 0.020 0.000 1.266 338 N CA 1.371 54.454 53.050 0.055 0.000 0.889 338 N CB 0.375 38.908 38.487 0.076 0.000 1.069 338 N HN 0.171 nan 8.380 nan 0.000 0.476 339 G N 2.590 111.397 108.800 0.011 0.000 2.195 339 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 339 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 339 G C 0.327 175.215 174.900 -0.021 0.000 0.984 339 G CA -0.008 45.089 45.100 -0.005 0.000 0.633 339 G HN 0.668 nan 8.290 nan 0.000 0.525 340 R N 0.832 121.309 120.500 -0.039 0.000 2.679 340 R HA 0.520 4.860 4.340 0.000 0.000 0.269 340 R C 0.368 176.584 176.300 -0.139 0.000 1.076 340 R CA 0.678 56.710 56.100 -0.114 0.000 1.160 340 R CB 0.712 30.902 30.300 -0.183 0.000 1.054 340 R HN 0.484 nan 8.270 nan 0.000 0.507 341 S N 1.410 116.990 115.700 -0.200 0.000 2.502 341 S HA 0.501 4.971 4.470 0.000 0.000 0.304 341 S C -0.712 173.738 174.600 -0.251 0.000 1.097 341 S CA -0.907 57.209 58.200 -0.139 0.000 1.045 341 S CB 0.887 64.059 63.200 -0.047 0.000 1.019 341 S HN 0.310 nan 8.310 nan 0.000 0.481 342 F N 1.452 121.400 119.950 -0.003 0.000 2.399 342 F HA 0.673 5.200 4.527 0.000 0.000 0.328 342 F C 0.937 176.735 175.800 -0.004 0.000 1.084 342 F CA -0.185 57.814 58.000 -0.002 0.000 1.053 342 F CB 1.890 40.890 39.000 -0.001 0.000 1.209 342 F HN 0.608 nan 8.300 nan 0.000 0.502 343 S N 0.254 116.062 115.700 0.179 0.000 2.570 343 S HA 0.601 5.071 4.470 0.000 0.000 0.286 343 S C -1.591 173.060 174.600 0.086 0.000 1.099 343 S CA -0.703 57.555 58.200 0.097 0.000 0.913 343 S CB 1.853 65.082 63.200 0.048 0.000 1.085 343 S HN 0.618 nan 8.310 nan 0.000 0.480 344 c N 3.256 121.888 118.600 0.053 0.000 2.356 344 c HA 0.715 5.285 4.570 0.000 0.000 0.324 344 c C 0.333 174.441 174.090 0.029 0.000 1.167 344 c CA -0.867 55.486 56.329 0.040 0.000 1.420 344 c CB -0.308 42.217 42.510 0.024 0.000 2.036 344 c HN 0.912 nan 8.230 nan 0.000 0.435 345 S N 2.609 118.336 115.700 0.044 0.000 2.509 345 S HA 0.934 5.404 4.470 0.000 0.000 0.297 345 S C -0.469 174.186 174.600 0.092 0.000 1.118 345 S CA -0.385 57.850 58.200 0.058 0.000 1.074 345 S CB 1.830 65.069 63.200 0.064 0.000 1.038 345 S HN 1.097 nan 8.310 nan 0.000 0.498 346 A N 1.789 124.688 122.820 0.132 0.000 2.527 346 A HA 0.957 5.277 4.320 0.000 0.000 0.293 346 A C -0.117 177.676 177.584 0.348 0.000 1.117 346 A CA -0.660 51.509 52.037 0.220 0.000 0.723 346 A CB 1.468 20.611 19.000 0.238 0.000 1.313 346 A HN 1.503 nan 8.150 nan 0.000 0.411 347 T N -1.500 113.219 114.554 0.276 0.000 2.906 347 T HA 0.715 5.065 4.350 0.000 0.000 0.295 347 T C -1.237 173.353 174.700 -0.183 0.000 1.075 347 T CA -0.606 61.526 62.100 0.052 0.000 1.005 347 T CB 1.402 70.232 68.868 -0.063 0.000 1.136 347 T HN 1.727 nan 8.240 nan 0.000 0.498 348 L N 0.816 121.744 121.223 -0.491 0.000 2.472 348 L HA 0.809 5.149 4.340 0.000 0.000 0.260 348 L C -1.217 175.400 176.870 -0.421 0.000 0.963 348 L CA -0.689 53.775 54.840 -0.627 0.000 0.829 348 L CB 2.205 43.468 42.059 -1.326 0.000 1.348 348 L HN 0.927 nan 8.230 nan 0.000 0.408 349 E N 2.763 122.791 120.200 -0.287 0.000 2.109 349 E HA 0.581 4.931 4.350 0.000 0.000 0.278 349 E C -1.536 174.962 176.600 -0.170 0.000 0.954 349 E CA -0.244 56.037 56.400 -0.199 0.000 0.779 349 E CB 1.384 31.004 29.700 -0.132 0.000 1.093 349 E HN 0.553 nan 8.360 nan 0.000 0.401 350 V N 2.926 122.746 119.914 -0.156 0.000 2.567 350 V HA 0.704 4.824 4.120 0.000 0.000 0.298 350 V C -0.413 175.637 176.094 -0.075 0.000 1.047 350 V CA 0.021 62.258 62.300 -0.105 0.000 0.880 350 V CB 0.890 32.650 31.823 -0.105 0.000 1.009 350 V HN 1.054 nan 8.190 nan 0.000 0.429 351 A N 4.387 127.180 122.820 -0.045 0.000 2.578 351 A HA 0.153 4.473 4.320 0.000 0.000 0.298 351 A C 1.979 179.541 177.584 -0.037 0.000 1.472 351 A CA 1.378 53.397 52.037 -0.030 0.000 0.734 351 A CB -1.774 17.217 19.000 -0.014 0.000 1.091 351 A HN 3.023 nan 8.150 nan 0.000 0.426 352 G N -1.674 107.101 108.800 -0.042 0.000 2.200 352 G HA2 -0.304 3.656 3.960 0.000 0.000 0.267 352 G HA3 -0.304 3.656 3.960 0.000 0.000 0.267 352 G C 0.131 175.003 174.900 -0.047 0.000 0.993 352 G CA 1.557 46.633 45.100 -0.039 0.000 0.701 352 G HN 1.782 nan 8.290 nan 0.000 0.524 353 Q N -0.872 118.888 119.800 -0.066 0.000 2.309 353 Q HA 0.683 5.023 4.340 0.000 0.000 0.264 353 Q C -0.885 175.043 176.000 -0.121 0.000 1.008 353 Q CA -1.177 54.581 55.803 -0.075 0.000 0.853 353 Q CB 1.268 29.962 28.738 -0.072 0.000 1.314 353 Q HN 0.211 nan 8.270 nan 0.000 0.448 354 L N 4.894 126.043 121.223 -0.122 0.000 2.255 354 L HA 0.410 4.750 4.340 0.000 0.000 0.289 354 L C -1.343 175.342 176.870 -0.309 0.000 1.046 354 L CA -0.178 54.531 54.840 -0.218 0.000 0.816 354 L CB 0.831 42.789 42.059 -0.168 0.000 1.197 354 L HN 0.589 nan 8.230 nan 0.000 0.427 355 I N 5.141 125.495 120.570 -0.361 0.000 2.385 355 I HA 0.344 4.514 4.170 0.000 0.000 0.294 355 I C 0.153 176.107 176.117 -0.272 0.000 0.988 355 I CA -0.155 60.988 61.300 -0.262 0.000 1.265 355 I CB 0.886 38.742 38.000 -0.239 0.000 1.388 355 I HN 0.451 nan 8.210 nan 0.000 0.480 356 H N 5.518 124.673 119.070 0.142 0.000 2.529 356 H HA 0.624 5.180 4.556 0.000 0.000 0.348 356 H C -0.626 174.815 175.328 0.188 0.000 1.152 356 H CA -0.899 55.262 56.048 0.189 0.000 1.202 356 H CB 2.208 32.021 29.762 0.084 0.000 1.562 356 H HN 0.408 nan 8.280 nan 0.000 0.515 357 K N 1.853 122.392 120.400 0.232 0.000 2.542 357 K HA 0.193 4.513 4.320 0.000 0.000 0.259 357 K C -1.174 175.389 176.600 -0.062 0.000 0.932 357 K CA -0.645 55.614 56.287 -0.046 0.000 0.820 357 K CB 2.138 34.330 32.500 -0.514 0.000 1.345 357 K HN 0.852 nan 8.250 nan 0.000 0.432 358 N N 1.050 119.715 118.700 -0.059 0.000 3.157 358 N HA 0.364 5.104 4.740 0.000 0.000 0.291 358 N C -1.846 173.638 175.510 -0.044 0.000 1.515 358 N CA -0.777 52.251 53.050 -0.036 0.000 0.807 358 N CB 1.709 40.198 38.487 0.004 0.000 1.672 358 N HN 0.446 nan 8.380 nan 0.000 0.592 359 Q N -0.474 119.314 119.800 -0.019 0.000 2.327 359 Q HA 0.401 4.741 4.340 0.000 0.000 0.265 359 Q C -1.830 174.179 176.000 0.014 0.000 0.993 359 Q CA -0.618 55.178 55.803 -0.011 0.000 0.885 359 Q CB 1.567 30.292 28.738 -0.022 0.000 1.379 359 Q HN 0.917 nan 8.270 nan 0.000 0.408 360 T N 0.995 115.560 114.554 0.018 0.000 2.918 360 T HA 0.797 5.147 4.350 0.000 0.000 0.286 360 T C -0.625 174.102 174.700 0.046 0.000 1.026 360 T CA -0.732 61.390 62.100 0.037 0.000 1.031 360 T CB 1.914 70.794 68.868 0.019 0.000 1.046 360 T HN 0.622 nan 8.240 nan 0.000 0.479 361 R N 1.050 121.599 120.500 0.082 0.000 2.584 361 R HA 0.349 4.689 4.340 0.000 0.000 0.276 361 R C -0.955 175.422 176.300 0.128 0.000 1.046 361 R CA -0.549 55.602 56.100 0.085 0.000 0.906 361 R CB 1.939 32.285 30.300 0.077 0.000 1.215 361 R HN 0.829 nan 8.270 nan 0.000 0.449 362 E N 2.587 122.839 120.200 0.087 0.000 2.313 362 E HA 0.203 4.553 4.350 0.000 0.000 0.272 362 E C -0.970 175.705 176.600 0.124 0.000 1.038 362 E CA -0.694 55.759 56.400 0.087 0.000 0.863 362 E CB 1.535 31.258 29.700 0.038 0.000 1.060 362 E HN 0.190 nan 8.360 nan 0.000 0.402 363 L N 2.343 123.659 121.223 0.154 0.000 2.313 363 L HA 0.337 4.677 4.340 0.000 0.000 0.283 363 L C -0.817 176.107 176.870 0.090 0.000 1.013 363 L CA -0.265 54.673 54.840 0.163 0.000 0.816 363 L CB 1.176 43.430 42.059 0.326 0.000 1.236 363 L HN 0.366 nan 8.230 nan 0.000 0.419 364 R N 4.276 124.809 120.500 0.056 0.000 2.207 364 R HA 0.614 4.954 4.340 0.000 0.000 0.334 364 R C -1.121 175.199 176.300 0.033 0.000 1.013 364 R CA -0.644 55.471 56.100 0.025 0.000 0.858 364 R CB 1.423 31.721 30.300 -0.002 0.000 1.094 364 R HN 0.491 nan 8.270 nan 0.000 0.457 365 V N 5.053 124.994 119.914 0.046 0.000 2.612 365 V HA 0.473 4.593 4.120 0.000 0.000 0.301 365 V C 0.127 176.264 176.094 0.072 0.000 1.046 365 V CA -0.841 61.505 62.300 0.076 0.000 0.946 365 V CB 1.897 33.788 31.823 0.113 0.000 1.003 365 V HN 0.581 nan 8.190 nan 0.000 0.459 366 L N 4.043 125.323 121.223 0.096 0.000 2.362 366 L HA 0.655 4.995 4.340 0.000 0.000 0.271 366 L C -1.542 175.449 176.870 0.201 0.000 1.002 366 L CA -0.769 54.098 54.840 0.046 0.000 0.818 366 L CB 2.006 44.063 42.059 -0.004 0.000 1.298 366 L HN 0.799 nan 8.230 nan 0.000 0.420 367 Y N -0.022 120.165 120.300 -0.187 0.000 2.307 367 Y HA 0.605 5.155 4.550 0.000 0.000 0.323 367 Y C 0.269 176.053 175.900 -0.194 0.000 1.100 367 Y CA -1.576 56.393 58.100 -0.217 0.000 1.140 367 Y CB 0.025 38.221 38.460 -0.441 0.000 1.159 367 Y HN 0.614 nan 8.280 nan 0.000 0.436 368 G N 3.976 112.803 108.800 0.045 0.000 2.614 368 G HA2 0.203 4.163 3.960 0.000 0.000 0.229 368 G HA3 0.203 4.163 3.960 0.000 0.000 0.229 368 G C -2.391 172.553 174.900 0.073 0.000 1.232 368 G CA -0.854 44.272 45.100 0.043 0.000 0.857 368 G HN 0.587 nan 8.290 nan 0.000 0.560 369 P HA 0.136 nan 4.420 nan 0.000 0.268 369 P C -0.337 177.090 177.300 0.212 0.000 1.204 369 P CA 0.170 63.328 63.100 0.096 0.000 0.768 369 P CB 0.968 32.698 31.700 0.051 0.000 0.842 370 R N 3.218 123.903 120.500 0.309 0.000 2.673 370 R HA 0.562 4.902 4.340 0.000 0.000 0.281 370 R C -1.179 175.239 176.300 0.197 0.000 0.991 370 R CA -0.860 55.413 56.100 0.288 0.000 0.896 370 R CB 1.359 31.917 30.300 0.429 0.000 1.201 370 R HN 0.459 nan 8.270 nan 0.000 0.457 371 L N 4.676 125.965 121.223 0.109 0.000 2.502 371 L HA 0.289 4.629 4.340 0.000 0.000 0.249 371 L C -0.719 176.167 176.870 0.028 0.000 1.446 371 L CA -0.637 54.248 54.840 0.075 0.000 0.887 371 L CB 1.267 43.370 42.059 0.074 0.000 1.126 371 L HN 0.623 nan 8.230 nan 0.000 0.509 372 D N 0.968 121.363 120.400 -0.008 0.000 2.419 372 D HA -0.114 4.526 4.640 0.000 0.000 0.236 372 D C 0.971 177.251 176.300 -0.033 0.000 1.165 372 D CA 0.214 54.189 54.000 -0.042 0.000 0.882 372 D CB 1.630 42.378 40.800 -0.087 0.000 1.201 372 D HN 0.430 nan 8.370 nan 0.000 0.443 373 E N 1.228 121.400 120.200 -0.047 0.000 2.265 373 E HA -0.203 4.147 4.350 0.000 0.000 0.196 373 E C 1.922 178.481 176.600 -0.068 0.000 0.996 373 E CA 0.845 57.208 56.400 -0.063 0.000 0.832 373 E CB 0.198 29.854 29.700 -0.073 0.000 0.756 373 E HN 0.371 nan 8.360 nan 0.000 0.491 374 R N 0.575 121.041 120.500 -0.057 0.000 2.070 374 R HA -0.138 4.202 4.340 0.000 0.000 0.233 374 R C 0.873 177.162 176.300 -0.020 0.000 1.137 374 R CA 1.881 57.952 56.100 -0.049 0.000 0.945 374 R CB -0.155 30.110 30.300 -0.058 0.000 0.845 374 R HN 0.267 nan 8.270 nan 0.000 0.430 375 D N -1.356 119.039 120.400 -0.007 0.000 2.395 375 D HA 0.017 4.657 4.640 0.000 0.000 0.226 375 D C -0.429 175.915 176.300 0.074 0.000 1.146 375 D CA -0.239 53.783 54.000 0.037 0.000 0.830 375 D CB -0.073 40.748 40.800 0.035 0.000 0.958 375 D HN 0.148 nan 8.370 nan 0.000 0.501 376 c N 0.696 119.330 118.600 0.056 0.000 2.656 376 c HA 0.247 4.817 4.570 0.000 0.000 0.339 376 c C -2.915 171.180 174.090 0.009 0.000 0.788 376 c CA -1.254 55.129 56.329 0.090 0.000 0.990 376 c CB -0.871 41.696 42.510 0.095 0.000 1.496 376 c HN -0.024 nan 8.230 nan 0.000 0.674 377 P HA 0.125 nan 4.420 nan 0.000 0.263 377 P C 1.014 178.109 177.300 -0.341 0.000 1.175 377 P CA 1.147 64.041 63.100 -0.343 0.000 0.761 377 P CB 0.673 31.904 31.700 -0.781 0.000 0.794 378 G N 2.726 111.357 108.800 -0.281 0.000 2.484 378 G HA2 -0.088 3.872 3.960 0.000 0.000 0.218 378 G HA3 -0.088 3.872 3.960 0.000 0.000 0.218 378 G C 0.265 175.016 174.900 -0.248 0.000 1.130 378 G CA 0.120 45.105 45.100 -0.192 0.000 0.784 378 G HN 0.726 nan 8.290 nan 0.000 0.543 379 N N -2.034 116.383 118.700 -0.471 0.000 2.494 379 N HA 0.459 5.199 4.740 0.000 0.000 0.270 379 N C -2.085 172.984 175.510 -0.736 0.000 1.285 379 N CA -0.986 51.806 53.050 -0.429 0.000 0.812 379 N CB 1.195 39.546 38.487 -0.227 0.000 1.557 379 N HN 0.102 nan 8.380 nan 0.000 0.487 380 W N -0.184 120.903 121.300 -0.356 0.000 3.127 380 W HA 0.442 5.102 4.660 0.000 0.000 0.330 380 W C -1.086 175.049 176.519 -0.640 0.000 1.187 380 W CA -0.583 56.383 57.345 -0.633 0.000 1.198 380 W CB 2.444 31.144 29.460 -1.267 0.000 1.408 380 W HN 0.291 nan 8.180 nan 0.000 0.529 381 T N 2.437 116.811 114.554 -0.299 0.000 2.963 381 T HA 0.285 4.635 4.350 0.000 0.000 0.328 381 T C -1.346 173.358 174.700 0.007 0.000 1.048 381 T CA -0.532 61.482 62.100 -0.144 0.000 1.033 381 T CB 0.375 69.222 68.868 -0.035 0.000 1.010 381 T HN 0.183 nan 8.240 nan 0.000 0.469 382 W N 3.148 124.510 121.300 0.103 0.000 2.632 382 W HA 0.413 5.073 4.660 0.000 0.000 0.328 382 W C -2.915 173.626 176.519 0.037 0.000 1.044 382 W CA -3.317 54.064 57.345 0.061 0.000 1.225 382 W CB 0.739 30.214 29.460 0.025 0.000 1.396 382 W HN 0.298 nan 8.180 nan 0.000 0.499 383 P HA -0.002 nan 4.420 nan 0.000 0.271 383 P C -0.016 177.356 177.300 0.119 0.000 1.216 383 P CA 0.159 63.344 63.100 0.142 0.000 0.771 383 P CB 0.689 32.449 31.700 0.100 0.000 0.864 384 E N 3.958 124.213 120.200 0.091 0.000 2.480 384 E HA -0.148 4.202 4.350 0.000 0.000 0.258 384 E C 0.317 176.938 176.600 0.035 0.000 0.984 384 E CA 0.369 56.808 56.400 0.066 0.000 0.930 384 E CB -0.512 29.217 29.700 0.049 0.000 0.936 384 E HN 0.470 nan 8.360 nan 0.000 0.466 385 N N 2.051 120.759 118.700 0.014 0.000 2.967 385 N HA -0.178 4.562 4.740 0.000 0.000 0.241 385 N C -0.750 174.741 175.510 -0.032 0.000 0.983 385 N CA 0.616 53.658 53.050 -0.013 0.000 0.918 385 N CB -1.005 37.479 38.487 -0.006 0.000 1.109 385 N HN 0.573 nan 8.380 nan 0.000 0.567 386 S N -0.178 115.498 115.700 -0.041 0.000 2.707 386 S HA 0.379 4.849 4.470 0.000 0.000 0.276 386 S C -0.084 174.428 174.600 -0.147 0.000 1.179 386 S CA -0.530 57.628 58.200 -0.070 0.000 0.992 386 S CB 2.418 65.593 63.200 -0.042 0.000 1.030 386 S HN 0.243 nan 8.310 nan 0.000 0.554 387 Q N 1.268 120.973 119.800 -0.160 0.000 2.290 387 Q HA 0.401 4.741 4.340 0.000 0.000 0.259 387 Q C -1.284 174.536 176.000 -0.300 0.000 0.941 387 Q CA -0.386 55.293 55.803 -0.208 0.000 0.912 387 Q CB 1.118 29.773 28.738 -0.138 0.000 1.244 387 Q HN 0.793 nan 8.270 nan 0.000 0.441 388 Q N 1.764 121.292 119.800 -0.454 0.000 2.615 388 Q HA 0.559 4.899 4.340 0.000 0.000 0.298 388 Q C -1.104 174.594 176.000 -0.503 0.000 1.023 388 Q CA -0.729 54.712 55.803 -0.603 0.000 0.768 388 Q CB 2.034 29.975 28.738 -1.329 0.000 1.500 388 Q HN 0.623 nan 8.270 nan 0.000 0.441 389 T N 2.055 116.344 114.554 -0.441 0.000 3.038 389 T HA 0.400 4.750 4.350 0.000 0.000 0.344 389 T C -2.652 171.845 174.700 -0.339 0.000 1.054 389 T CA -1.006 60.907 62.100 -0.311 0.000 1.092 389 T CB 1.230 70.002 68.868 -0.160 0.000 1.031 389 T HN 0.149 nan 8.240 nan 0.000 0.482 390 P HA 0.267 nan 4.420 nan 0.000 0.263 390 P C -0.589 176.599 177.300 -0.187 0.000 1.195 390 P CA -0.343 62.493 63.100 -0.440 0.000 0.762 390 P CB 0.340 31.862 31.700 -0.298 0.000 0.799 391 M N 4.632 124.218 119.600 -0.023 0.000 2.125 391 M HA 0.388 4.868 4.480 0.000 0.000 0.321 391 M C -1.267 175.244 176.300 0.352 0.000 0.983 391 M CA -0.741 54.707 55.300 0.247 0.000 0.934 391 M CB 0.659 33.473 32.600 0.356 0.000 1.542 391 M HN 0.353 nan 8.290 nan 0.000 0.424 392 c N 5.073 123.791 118.600 0.197 0.000 2.887 392 c HA 0.566 5.136 4.570 0.000 0.000 0.379 392 c C -1.607 172.555 174.090 0.120 0.000 1.064 392 c CA -0.362 56.070 56.329 0.172 0.000 1.282 392 c CB 0.686 43.295 42.510 0.165 0.000 1.749 392 c HN 0.900 nan 8.230 nan 0.000 0.489 393 Q N 3.593 123.464 119.800 0.118 0.000 2.330 393 Q HA 0.700 5.040 4.340 0.000 0.000 0.269 393 Q C -0.183 175.897 176.000 0.133 0.000 1.022 393 Q CA -0.259 55.612 55.803 0.113 0.000 0.796 393 Q CB 2.265 31.071 28.738 0.113 0.000 1.271 393 Q HN 0.911 nan 8.270 nan 0.000 0.450 394 A N 2.055 124.953 122.820 0.131 0.000 2.302 394 A HA 0.546 4.866 4.320 0.000 0.000 0.285 394 A C -1.516 176.212 177.584 0.240 0.000 1.105 394 A CA -0.213 51.919 52.037 0.159 0.000 0.816 394 A CB 0.489 19.551 19.000 0.104 0.000 1.067 394 A HN 0.784 nan 8.150 nan 0.000 0.489 395 W N 0.813 122.139 121.300 0.043 0.000 2.702 395 W HA 0.582 5.242 4.660 0.000 0.000 0.331 395 W C 0.075 176.609 176.519 0.026 0.000 1.049 395 W CA 0.661 58.048 57.345 0.070 0.000 1.230 395 W CB 1.849 31.378 29.460 0.114 0.000 1.408 395 W HN 1.417 nan 8.180 nan 0.000 0.492 396 G N 3.532 111.968 108.800 -0.606 0.000 2.345 396 G HA2 0.109 4.069 3.960 0.000 0.000 0.310 396 G HA3 0.109 4.069 3.960 0.000 0.000 0.310 396 G C -2.299 171.945 174.900 -1.093 0.000 1.476 396 G CA -1.178 43.318 45.100 -1.006 0.000 0.978 396 G HN 0.724 nan 8.290 nan 0.000 0.656 397 N N 1.345 119.241 118.700 -1.340 0.000 2.410 397 N HA 0.551 5.291 4.740 0.000 0.000 0.287 397 N C -2.759 172.477 175.510 -0.458 0.000 1.044 397 N CA -1.723 50.836 53.050 -0.818 0.000 0.881 397 N CB 3.297 41.281 38.487 -0.839 0.000 1.405 397 N HN 0.366 nan 8.380 nan 0.000 0.490 398 P HA -0.012 nan 4.420 nan 0.000 0.269 398 P C -0.064 177.086 177.300 -0.250 0.000 1.215 398 P CA -0.499 62.465 63.100 -0.226 0.000 0.780 398 P CB 0.921 32.541 31.700 -0.133 0.000 0.898 399 L N 4.667 125.769 121.223 -0.202 0.000 2.700 399 L HA 0.098 4.438 4.340 0.000 0.000 0.272 399 L C -1.931 174.874 176.870 -0.108 0.000 1.176 399 L CA -1.058 53.686 54.840 -0.160 0.000 0.961 399 L CB -1.137 40.863 42.059 -0.098 0.000 1.249 399 L HN 0.280 nan 8.230 nan 0.000 0.487 400 P HA 0.004 nan 4.420 nan 0.000 0.268 400 P C -0.682 176.607 177.300 -0.018 0.000 1.205 400 P CA -0.211 62.860 63.100 -0.050 0.000 0.771 400 P CB 0.592 32.276 31.700 -0.028 0.000 0.858 401 E N 2.182 122.376 120.200 -0.011 0.000 2.290 401 E HA 0.232 4.582 4.350 0.000 0.000 0.277 401 E C -1.160 175.451 176.600 0.018 0.000 1.035 401 E CA -0.634 55.767 56.400 0.002 0.000 0.873 401 E CB 0.451 30.150 29.700 -0.000 0.000 1.029 401 E HN 0.277 nan 8.360 nan 0.000 0.419 402 L N 4.653 125.892 121.223 0.027 0.000 2.346 402 L HA 0.488 4.828 4.340 0.000 0.000 0.276 402 L C -1.291 175.606 176.870 0.044 0.000 1.006 402 L CA -0.339 54.526 54.840 0.042 0.000 0.817 402 L CB 1.427 43.517 42.059 0.052 0.000 1.272 402 L HN 0.460 nan 8.230 nan 0.000 0.421 403 K N 4.460 124.892 120.400 0.053 0.000 2.581 403 K HA 0.463 4.783 4.320 0.000 0.000 0.249 403 K C -1.749 174.903 176.600 0.087 0.000 0.966 403 K CA -0.550 55.773 56.287 0.061 0.000 0.811 403 K CB 1.646 34.175 32.500 0.047 0.000 1.223 403 K HN 0.549 nan 8.250 nan 0.000 0.438 404 c N 4.936 123.602 118.600 0.110 0.000 2.258 404 c HA 0.500 5.070 4.570 0.000 0.000 0.321 404 c C -0.166 174.087 174.090 0.272 0.000 1.168 404 c CA -0.806 55.624 56.329 0.169 0.000 1.531 404 c CB -0.942 41.640 42.510 0.120 0.000 2.095 404 c HN 0.606 nan 8.230 nan 0.000 0.449 405 L N 3.137 124.509 121.223 0.249 0.000 2.342 405 L HA 0.625 4.965 4.340 0.000 0.000 0.271 405 L C -0.083 176.865 176.870 0.131 0.000 1.008 405 L CA -0.531 54.439 54.840 0.217 0.000 0.818 405 L CB 1.621 43.730 42.059 0.082 0.000 1.296 405 L HN 0.504 nan 8.230 nan 0.000 0.427 406 K N 2.239 122.641 120.400 0.003 0.000 2.292 406 K HA 0.228 4.548 4.320 0.000 0.000 0.257 406 K C -0.819 175.780 176.600 -0.002 0.000 0.940 406 K CA -0.410 55.741 56.287 -0.228 0.000 0.811 406 K CB 1.095 33.162 32.500 -0.721 0.000 1.120 406 K HN 0.661 nan 8.250 nan 0.000 0.428 407 D N 3.414 123.806 120.400 -0.013 0.000 2.772 407 D HA -0.190 4.450 4.640 0.000 0.000 0.233 407 D C 0.713 176.961 176.300 -0.088 0.000 1.143 407 D CA 1.440 55.446 54.000 0.010 0.000 0.700 407 D CB -1.279 39.620 40.800 0.166 0.000 1.076 407 D HN 1.109 nan 8.370 nan 0.000 0.430 408 G N -0.685 108.073 108.800 -0.070 0.000 2.249 408 G HA2 -0.453 3.507 3.960 0.000 0.000 0.269 408 G HA3 -0.453 3.507 3.960 0.000 0.000 0.269 408 G C 1.071 175.883 174.900 -0.147 0.000 0.979 408 G CA 2.251 47.300 45.100 -0.085 0.000 0.644 408 G HN 0.993 nan 8.290 nan 0.000 0.546 409 T N -3.889 110.492 114.554 -0.288 0.000 3.051 409 T HA 0.472 4.822 4.350 0.000 0.000 0.254 409 T C 0.571 175.051 174.700 -0.367 0.000 0.916 409 T CA 0.150 62.018 62.100 -0.385 0.000 0.894 409 T CB 0.273 68.810 68.868 -0.551 0.000 1.251 409 T HN 0.283 nan 8.240 nan 0.000 0.517 410 F N 5.122 125.092 119.950 0.033 0.000 2.438 410 F HA 0.511 5.038 4.527 0.000 0.000 0.360 410 F C -2.234 173.674 175.800 0.181 0.000 1.118 410 F CA -2.900 55.146 58.000 0.076 0.000 1.164 410 F CB 0.547 39.572 39.000 0.042 0.000 1.131 410 F HN 0.025 nan 8.300 nan 0.000 0.527 411 P HA 0.196 nan 4.420 nan 0.000 0.281 411 P C -0.894 176.571 177.300 0.275 0.000 1.249 411 P CA -0.497 62.767 63.100 0.273 0.000 0.810 411 P CB 2.146 33.933 31.700 0.145 0.000 1.008 412 L N 5.063 126.355 121.223 0.116 0.000 2.276 412 L HA 0.399 4.739 4.340 0.000 0.000 0.286 412 L C -2.207 174.621 176.870 -0.069 0.000 1.061 412 L CA -2.377 52.362 54.840 -0.169 0.000 0.807 412 L CB 0.490 42.231 42.059 -0.528 0.000 1.177 412 L HN 0.204 nan 8.230 nan 0.000 0.429 413 P HA 0.139 nan 4.420 nan 0.000 0.241 413 P C -0.443 176.802 177.300 -0.092 0.000 1.760 413 P CA -0.033 63.029 63.100 -0.062 0.000 1.081 413 P CB -0.672 30.983 31.700 -0.075 0.000 1.975 414 I N -2.759 117.772 120.570 -0.064 0.000 2.696 414 I HA 0.461 4.631 4.170 0.000 0.000 0.284 414 I C 1.301 177.394 176.117 -0.041 0.000 1.129 414 I CA -0.141 61.126 61.300 -0.055 0.000 1.410 414 I CB 0.126 38.120 38.000 -0.009 0.000 1.399 414 I HN 0.434 nan 8.210 nan 0.000 0.579 415 G N 3.403 112.179 108.800 -0.039 0.000 2.245 415 G HA2 -0.281 3.679 3.960 0.000 0.000 0.264 415 G HA3 -0.281 3.679 3.960 0.000 0.000 0.264 415 G C 0.011 174.883 174.900 -0.048 0.000 0.985 415 G CA 0.586 45.670 45.100 -0.026 0.000 0.625 415 G HN 1.048 nan 8.290 nan 0.000 0.536 416 E N -0.157 119.998 120.200 -0.075 0.000 2.244 416 E HA 0.672 5.022 4.350 0.000 0.000 0.266 416 E C -0.497 176.026 176.600 -0.128 0.000 0.914 416 E CA -0.425 55.925 56.400 -0.083 0.000 0.794 416 E CB 1.801 31.461 29.700 -0.068 0.000 1.210 416 E HN 0.202 nan 8.360 nan 0.000 0.414 417 S N 1.276 116.905 115.700 -0.118 0.000 2.505 417 S HA 0.355 4.825 4.470 0.000 0.000 0.276 417 S C -0.123 174.382 174.600 -0.159 0.000 1.274 417 S CA -0.493 57.617 58.200 -0.151 0.000 1.053 417 S CB 0.145 63.275 63.200 -0.115 0.000 0.919 417 S HN 0.534 nan 8.310 nan 0.000 0.490 418 V N 2.574 122.357 119.914 -0.220 0.000 3.141 418 V HA 0.731 4.851 4.120 0.000 0.000 0.312 418 V C -0.227 175.739 176.094 -0.214 0.000 1.157 418 V CA -0.850 61.332 62.300 -0.197 0.000 1.041 418 V CB 1.545 33.240 31.823 -0.213 0.000 1.071 418 V HN 0.637 nan 8.190 nan 0.000 0.441 419 T N 1.946 116.407 114.554 -0.156 0.000 2.733 419 T HA 0.492 4.842 4.350 0.000 0.000 0.294 419 T C -0.114 174.506 174.700 -0.132 0.000 0.956 419 T CA -0.133 61.886 62.100 -0.134 0.000 0.987 419 T CB 0.977 69.794 68.868 -0.084 0.000 0.920 419 T HN 0.721 nan 8.240 nan 0.000 0.470 420 V N 5.890 125.712 119.914 -0.153 0.000 2.493 420 V HA 0.230 4.351 4.120 0.000 0.000 0.292 420 V C 1.064 177.153 176.094 -0.007 0.000 1.016 420 V CA 0.117 62.367 62.300 -0.084 0.000 1.097 420 V CB -0.055 31.745 31.823 -0.038 0.000 0.947 420 V HN 1.089 nan 8.190 nan 0.000 0.479 421 T N 2.371 116.938 114.554 0.022 0.000 2.926 421 T HA 0.530 4.880 4.350 0.000 0.000 0.289 421 T C 0.717 175.446 174.700 0.048 0.000 1.054 421 T CA -0.908 61.206 62.100 0.024 0.000 1.015 421 T CB 1.936 70.806 68.868 0.004 0.000 1.167 421 T HN 0.303 nan 8.240 nan 0.000 0.526 422 R N 0.884 121.400 120.500 0.028 0.000 2.091 422 R HA -0.089 4.251 4.340 0.000 0.000 0.238 422 R C 1.584 177.893 176.300 0.015 0.000 1.136 422 R CA 2.297 58.412 56.100 0.024 0.000 0.959 422 R CB -1.112 29.190 30.300 0.004 0.000 0.856 422 R HN 0.919 nan 8.270 nan 0.000 0.437 423 D N -0.719 119.674 120.400 -0.011 0.000 2.392 423 D HA -0.116 4.524 4.640 0.000 0.000 0.228 423 D C 1.379 177.686 176.300 0.011 0.000 1.003 423 D CA 0.564 54.531 54.000 -0.054 0.000 0.917 423 D CB -0.135 40.595 40.800 -0.116 0.000 0.890 423 D HN 0.306 nan 8.370 nan 0.000 0.532 424 L N -0.280 121.003 121.223 0.099 0.000 2.375 424 L HA 0.073 4.413 4.340 0.000 0.000 0.215 424 L C 1.226 178.263 176.870 0.279 0.000 1.108 424 L CA 0.040 55.016 54.840 0.226 0.000 0.830 424 L CB -0.317 41.890 42.059 0.246 0.000 0.959 424 L HN 0.119 nan 8.230 nan 0.000 0.457 425 E N 0.499 120.794 120.200 0.158 0.000 2.465 425 E HA 0.319 4.669 4.350 0.000 0.000 0.260 425 E C 0.164 176.809 176.600 0.075 0.000 0.980 425 E CA 0.752 57.224 56.400 0.119 0.000 0.927 425 E CB 0.429 30.166 29.700 0.061 0.000 0.934 425 E HN 0.243 nan 8.360 nan 0.000 0.459 426 G N 2.325 111.174 108.800 0.081 0.000 2.362 426 G HA2 0.051 4.011 3.960 0.000 0.000 0.288 426 G HA3 0.051 4.011 3.960 0.000 0.000 0.288 426 G C -1.062 173.829 174.900 -0.015 0.000 1.305 426 G CA -0.471 44.608 45.100 -0.036 0.000 0.910 426 G HN 0.505 nan 8.290 nan 0.000 0.518 427 T N 0.781 115.253 114.554 -0.136 0.000 2.779 427 T HA 0.669 5.019 4.350 0.000 0.000 0.280 427 T C -1.249 173.347 174.700 -0.173 0.000 0.987 427 T CA -0.008 62.069 62.100 -0.037 0.000 0.966 427 T CB 0.999 69.859 68.868 -0.014 0.000 0.933 427 T HN 0.413 nan 8.240 nan 0.000 0.442 428 Y N 1.546 121.890 120.300 0.074 0.000 2.446 428 Y HA 0.571 5.121 4.550 0.000 0.000 0.338 428 Y C 0.020 175.961 175.900 0.068 0.000 1.055 428 Y CA -1.344 56.806 58.100 0.084 0.000 1.101 428 Y CB 1.332 39.855 38.460 0.105 0.000 1.221 428 Y HN 0.376 nan 8.280 nan 0.000 0.460 429 L N 3.222 124.560 121.223 0.191 0.000 2.301 429 L HA 0.371 4.711 4.340 0.000 0.000 0.278 429 L C -1.110 175.841 176.870 0.135 0.000 1.022 429 L CA -0.525 54.391 54.840 0.126 0.000 0.854 429 L CB 0.509 42.612 42.059 0.074 0.000 1.226 429 L HN 0.729 nan 8.230 nan 0.000 0.429 430 c N 3.939 122.618 118.600 0.131 0.000 2.349 430 c HA 0.353 4.923 4.570 0.000 0.000 0.348 430 c C 0.713 174.853 174.090 0.083 0.000 1.223 430 c CA -0.705 55.692 56.329 0.113 0.000 1.746 430 c CB -0.526 42.053 42.510 0.115 0.000 2.360 430 c HN 0.646 nan 8.230 nan 0.000 0.533 431 R N 2.358 122.901 120.500 0.072 0.000 2.338 431 R HA 0.628 4.968 4.340 0.000 0.000 0.317 431 R C -0.504 175.826 176.300 0.052 0.000 0.968 431 R CA -0.079 56.054 56.100 0.056 0.000 0.849 431 R CB 1.685 32.012 30.300 0.045 0.000 1.128 431 R HN 0.784 nan 8.270 nan 0.000 0.448 432 A N 4.495 127.345 122.820 0.050 0.000 2.323 432 A HA 0.429 4.749 4.320 0.000 0.000 0.305 432 A C -0.329 177.275 177.584 0.034 0.000 1.275 432 A CA -0.825 51.240 52.037 0.047 0.000 0.804 432 A CB 0.557 19.596 19.000 0.065 0.000 1.152 432 A HN 0.867 nan 8.150 nan 0.000 0.487 433 R N 0.804 121.316 120.500 0.019 0.000 2.803 433 R HA 0.885 5.225 4.340 0.000 0.000 0.276 433 R C -0.512 175.783 176.300 -0.009 0.000 0.978 433 R CA 0.019 56.124 56.100 0.008 0.000 0.939 433 R CB 1.881 32.186 30.300 0.008 0.000 1.179 433 R HN 0.888 nan 8.270 nan 0.000 0.472 434 S N -0.763 114.927 115.700 -0.017 0.000 2.636 434 S HA 0.131 4.601 4.470 0.000 0.000 0.268 434 S C 0.621 175.202 174.600 -0.032 0.000 1.159 434 S CA -0.263 57.915 58.200 -0.037 0.000 0.815 434 S CB 1.052 64.211 63.200 -0.068 0.000 1.130 434 S HN 0.815 nan 8.310 nan 0.000 0.471 435 T N -1.039 113.491 114.554 -0.039 0.000 2.996 435 T HA -0.092 4.258 4.350 0.000 0.000 0.271 435 T C 1.049 175.734 174.700 -0.026 0.000 1.126 435 T CA 1.283 63.365 62.100 -0.030 0.000 1.103 435 T CB -0.510 68.339 68.868 -0.033 0.000 0.870 435 T HN 0.517 nan 8.240 nan 0.000 0.528 436 Q N 0.934 120.713 119.800 -0.035 0.000 2.392 436 Q HA 0.447 4.787 4.340 0.000 0.000 0.203 436 Q C 1.236 177.235 176.000 -0.001 0.000 0.917 436 Q CA 0.679 56.469 55.803 -0.022 0.000 0.939 436 Q CB 0.623 29.336 28.738 -0.042 0.000 1.063 436 Q HN 0.800 nan 8.270 nan 0.000 0.516 437 G N 0.170 108.969 108.800 -0.001 0.000 2.350 437 G HA2 0.072 4.032 3.960 0.000 0.000 0.282 437 G HA3 0.072 4.032 3.960 0.000 0.000 0.282 437 G C -1.826 173.083 174.900 0.015 0.000 1.314 437 G CA -0.720 44.388 45.100 0.013 0.000 0.915 437 G HN -0.002 nan 8.290 nan 0.000 0.499 438 E N -0.968 119.247 120.200 0.024 0.000 2.321 438 E HA 0.585 4.935 4.350 0.000 0.000 0.278 438 E C -1.825 174.797 176.600 0.037 0.000 0.902 438 E CA -0.643 55.774 56.400 0.028 0.000 0.758 438 E CB 2.574 32.286 29.700 0.021 0.000 1.213 438 E HN 0.631 nan 8.360 nan 0.000 0.426 439 V N 2.792 122.733 119.914 0.045 0.000 2.638 439 V HA 0.419 4.539 4.120 0.000 0.000 0.306 439 V C -0.428 175.695 176.094 0.048 0.000 1.052 439 V CA -0.496 61.834 62.300 0.050 0.000 0.885 439 V CB 2.166 34.028 31.823 0.065 0.000 0.999 439 V HN 0.726 nan 8.190 nan 0.000 0.424 440 T N 5.685 120.264 114.554 0.042 0.000 2.823 440 T HA 0.627 4.977 4.350 0.000 0.000 0.279 440 T C -0.475 174.251 174.700 0.043 0.000 0.998 440 T CA -0.492 61.634 62.100 0.043 0.000 0.994 440 T CB 1.245 70.134 68.868 0.036 0.000 0.960 440 T HN 0.628 nan 8.240 nan 0.000 0.448 441 R N 1.884 122.415 120.500 0.052 0.000 2.621 441 R HA 0.344 4.684 4.340 0.000 0.000 0.284 441 R C -1.214 175.124 176.300 0.063 0.000 0.998 441 R CA -0.596 55.533 56.100 0.049 0.000 0.895 441 R CB 1.771 32.099 30.300 0.048 0.000 1.195 441 R HN 0.639 nan 8.270 nan 0.000 0.450 442 E N 3.138 123.369 120.200 0.052 0.000 2.174 442 E HA 0.320 4.670 4.350 0.000 0.000 0.282 442 E C -1.261 175.384 176.600 0.075 0.000 0.992 442 E CA -0.647 55.794 56.400 0.068 0.000 0.803 442 E CB 1.638 31.364 29.700 0.044 0.000 1.090 442 E HN 0.247 nan 8.360 nan 0.000 0.396 443 V N 3.804 123.802 119.914 0.140 0.000 2.495 443 V HA 0.308 4.428 4.120 0.000 0.000 0.298 443 V C -0.239 175.987 176.094 0.220 0.000 1.031 443 V CA -0.661 61.735 62.300 0.159 0.000 0.871 443 V CB 2.062 34.019 31.823 0.224 0.000 0.988 443 V HN 0.710 nan 8.190 nan 0.000 0.432 444 T N 4.375 119.006 114.554 0.128 0.000 2.770 444 T HA 0.531 4.881 4.350 0.000 0.000 0.283 444 T C -0.388 174.378 174.700 0.109 0.000 0.988 444 T CA -0.311 61.861 62.100 0.120 0.000 0.957 444 T CB 1.404 70.290 68.868 0.029 0.000 0.930 444 T HN 0.346 nan 8.240 nan 0.000 0.443 445 V N 4.802 124.810 119.914 0.156 0.000 2.370 445 V HA 0.399 4.519 4.120 0.000 0.000 0.283 445 V C -0.041 176.058 176.094 0.008 0.000 1.023 445 V CA -0.956 61.355 62.300 0.019 0.000 0.857 445 V CB 1.191 33.058 31.823 0.073 0.000 0.985 445 V HN 0.807 nan 8.190 nan 0.000 0.443 446 N N 2.861 121.523 118.700 -0.063 0.000 2.400 446 N HA 0.574 5.314 4.740 0.000 0.000 0.288 446 N C -0.919 174.604 175.510 0.022 0.000 1.024 446 N CA -0.430 52.613 53.050 -0.013 0.000 0.894 446 N CB 2.219 40.691 38.487 -0.024 0.000 1.173 446 N HN 0.443 nan 8.380 nan 0.000 0.487 447 V N 4.108 124.061 119.914 0.066 0.000 2.266 447 V HA 0.250 4.370 4.120 0.000 0.000 0.271 447 V C 0.124 176.268 176.094 0.084 0.000 1.032 447 V CA -0.647 61.721 62.300 0.114 0.000 0.806 447 V CB 0.020 31.922 31.823 0.131 0.000 1.052 447 V HN 0.570 nan 8.190 nan 0.000 0.449 448 L N 2.137 123.413 121.223 0.087 0.000 2.482 448 L HA 0.185 4.526 4.340 0.000 0.000 0.273 448 L C 1.133 178.038 176.870 0.059 0.000 1.228 448 L CA 0.475 55.353 54.840 0.064 0.000 0.827 448 L CB 0.349 42.448 42.059 0.066 0.000 1.099 448 L HN 0.548 nan 8.230 nan 0.000 0.494 449 S N 2.033 117.758 115.700 0.042 0.000 2.562 449 S HA 0.207 4.677 4.470 0.000 0.000 0.281 449 S C -1.698 172.924 174.600 0.037 0.000 1.333 449 S CA -1.264 56.956 58.200 0.035 0.000 1.052 449 S CB 0.482 63.697 63.200 0.025 0.000 0.884 449 S HN 0.430 nan 8.310 nan 0.000 0.506 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.117 63.100 0.029 0.000 0.800 450 P CB 0.000 31.712 31.700 0.021 0.000 0.726