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 3ett_1_B DATA FIRST_RESID 1 DATA SEQUENCE AGFKPAPPAG QLGAVIVDPY GNAPLTALVD LDSHVISDVK VTVHGKGEKG DATA SEQUENCE VEISYPVGQE SLKTYDGVPI FGLYQKFANK VTVEWKENGK VMKDDYVVHT DATA SEQUENCE SAIVNNYMDN RSISDLQQTK VIKVAPGFED RLYLVNTHTF TAQGSDLHWH DATA SEQUENCE GEKDKNAGIL DAGPATGALP FDIAPFTFIV DTEGEYRWWL DQDTFYDGRD DATA SEQUENCE RDINKRGYLM GIRETPRGTF TAVQGQHWYE FDMMGQVLED HKLPRGFADA DATA SEQUENCE THESIETPNG TVLLRVGKSN YRRDDGVHVT TIRDHILEVD KSGRVVDVWD DATA SEQUENCE LTKILDPKRD ALLGALDAGA VXXXXXXAHA GQQAKLEPDT PFGDALGVGP DATA SEQUENCE GRNWAHVNSI AYDAKDDSII LSSRHQGVVK IGRDKQVKWI LAPSKGWEKP DATA SEQUENCE LASKLLKPVD ANGKPITcNE NGLcENSDFD FTYTQXTAWI SSKGTLTIFD DATA SEQUENCE NGDGRHLEQP ALPTMKYSRF VEYKIDEKKG TVQQVWEYGK ERGYDFYSPI DATA SEQUENCE TSIIEYQADR NTMFGFGGSI HLFDVGQPTV GKLNEIDYKT KEVKVEIDVL DATA SEQUENCE SDKPNQTHYR ALLVRPQQMF K 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.464 177.584 -0.201 0.000 1.274 1 A CA 0.000 51.971 52.037 -0.110 0.000 0.836 1 A CB 0.000 18.955 19.000 -0.075 0.000 0.831 2 G N -1.062 107.594 108.800 -0.240 0.000 2.529 2 G HA2 0.539 4.499 3.960 -0.001 0.000 0.220 2 G HA3 0.539 4.499 3.960 -0.001 0.000 0.220 2 G C -0.625 173.806 174.900 -0.782 0.000 1.976 2 G CA 0.187 44.994 45.100 -0.488 0.000 0.789 2 G HN 0.610 nan 8.290 nan 0.000 0.695 3 F N 0.939 120.883 119.950 -0.011 0.000 2.573 3 F HA 0.499 5.025 4.527 -0.001 0.000 0.316 3 F C 0.091 175.883 175.800 -0.012 0.000 1.148 3 F CA -1.169 56.824 58.000 -0.012 0.000 0.940 3 F CB 2.135 41.126 39.000 -0.014 0.000 1.214 3 F HN -0.026 nan 8.300 nan 0.000 0.448 4 K N 2.894 123.399 120.400 0.175 0.000 2.168 4 K HA 0.430 4.750 4.320 -0.001 0.000 0.258 4 K C -2.103 174.544 176.600 0.078 0.000 1.010 4 K CA -1.394 54.946 56.287 0.089 0.000 0.929 4 K CB 0.327 32.864 32.500 0.062 0.000 0.998 4 K HN 0.300 nan 8.250 nan 0.000 0.479 5 P HA 0.044 nan 4.420 nan 0.000 0.272 5 P C -1.117 176.191 177.300 0.014 0.000 1.240 5 P CA -0.443 62.671 63.100 0.023 0.000 0.791 5 P CB 0.378 32.085 31.700 0.011 0.000 0.978 6 A N 2.409 125.227 122.820 -0.003 0.000 2.511 6 A HA 0.354 4.673 4.320 -0.001 0.000 0.242 6 A C -1.674 175.908 177.584 -0.003 0.000 1.069 6 A CA -0.612 51.419 52.037 -0.010 0.000 0.763 6 A CB -1.251 17.732 19.000 -0.029 0.000 1.001 6 A HN 0.473 nan 8.150 nan 0.000 0.498 7 P HA 0.423 nan 4.420 nan 0.000 0.278 7 P C -2.829 174.480 177.300 0.014 0.000 1.266 7 P CA -1.676 61.433 63.100 0.015 0.000 0.807 7 P CB -0.259 31.454 31.700 0.021 0.000 1.094 8 P HA 0.091 nan 4.420 nan 0.000 0.269 8 P C 0.375 177.706 177.300 0.052 0.000 1.209 8 P CA 0.071 63.191 63.100 0.034 0.000 0.776 8 P CB 0.256 31.992 31.700 0.061 0.000 0.876 9 A N 2.621 125.477 122.820 0.059 0.000 1.861 9 A HA 0.291 4.611 4.320 -0.001 0.000 0.212 9 A C 1.427 179.157 177.584 0.243 0.000 1.199 9 A CA 1.954 54.070 52.037 0.131 0.000 0.613 9 A CB -0.997 18.032 19.000 0.048 0.000 0.846 9 A HN 0.603 nan 8.150 nan 0.000 0.446 10 G N -1.897 107.088 108.800 0.309 0.000 3.259 10 G HA2 0.345 4.305 3.960 -0.001 0.000 0.193 10 G HA3 0.345 4.305 3.960 -0.001 0.000 0.193 10 G C 0.476 175.476 174.900 0.167 0.000 1.457 10 G CA 0.338 45.580 45.100 0.236 0.000 0.771 10 G HN 0.231 nan 8.290 nan 0.000 0.765 11 Q N -0.210 119.706 119.800 0.194 0.000 2.319 11 Q HA 0.407 4.746 4.340 -0.001 0.000 0.202 11 Q C 0.839 176.792 176.000 -0.077 0.000 0.896 11 Q CA -0.014 55.872 55.803 0.139 0.000 0.942 11 Q CB 0.523 29.409 28.738 0.247 0.000 1.083 11 Q HN 0.282 nan 8.270 nan 0.000 0.510 12 L N -1.774 119.385 121.223 -0.107 0.000 2.818 12 L HA 0.544 4.883 4.340 -0.001 0.000 0.230 12 L C 0.968 177.806 176.870 -0.054 0.000 2.013 12 L CA -0.734 53.925 54.840 -0.301 0.000 2.420 12 L CB -0.132 41.682 42.059 -0.409 0.000 2.612 12 L HN 0.029 nan 8.230 nan 0.000 0.595 13 G N -0.847 107.921 108.800 -0.053 0.000 2.543 13 G HA2 0.556 4.516 3.960 -0.001 0.000 0.267 13 G HA3 0.556 4.516 3.960 -0.001 0.000 0.267 13 G C -0.587 174.275 174.900 -0.064 0.000 1.406 13 G CA -0.035 45.053 45.100 -0.020 0.000 1.048 13 G HN 0.639 nan 8.290 nan 0.000 0.548 14 A N -1.623 121.159 122.820 -0.064 0.000 2.406 14 A HA 0.478 4.798 4.320 -0.001 0.000 0.243 14 A C -0.170 177.312 177.584 -0.170 0.000 1.082 14 A CA -0.089 51.893 52.037 -0.092 0.000 0.786 14 A CB 0.458 19.421 19.000 -0.063 0.000 1.029 14 A HN 0.817 nan 8.150 nan 0.000 0.495 15 V N 3.383 123.175 119.914 -0.204 0.000 2.311 15 V HA 0.242 4.362 4.120 -0.001 0.000 0.275 15 V C -0.456 175.546 176.094 -0.153 0.000 1.022 15 V CA -0.345 61.800 62.300 -0.257 0.000 0.830 15 V CB 0.690 32.272 31.823 -0.403 0.000 1.012 15 V HN 0.588 nan 8.190 nan 0.000 0.452 16 I N 5.725 126.212 120.570 -0.138 0.000 2.321 16 I HA 0.335 4.505 4.170 -0.001 0.000 0.291 16 I C 0.161 176.222 176.117 -0.093 0.000 0.998 16 I CA -0.546 60.689 61.300 -0.107 0.000 1.227 16 I CB 1.646 39.575 38.000 -0.118 0.000 1.368 16 I HN 0.206 nan 8.210 nan 0.000 0.466 17 V N 6.368 126.242 119.914 -0.067 0.000 2.455 17 V HA 0.111 4.230 4.120 -0.001 0.000 0.273 17 V C 0.480 176.548 176.094 -0.044 0.000 1.045 17 V CA -0.066 62.209 62.300 -0.042 0.000 0.976 17 V CB 0.544 32.355 31.823 -0.020 0.000 0.993 17 V HN 0.902 nan 8.190 nan 0.000 0.475 18 D N 5.478 125.862 120.400 -0.026 0.000 2.828 18 D HA -0.126 4.514 4.640 -0.001 0.000 0.241 18 D C -1.163 175.105 176.300 -0.053 0.000 1.142 18 D CA 0.613 54.607 54.000 -0.009 0.000 0.755 18 D CB 0.084 40.879 40.800 -0.008 0.000 1.014 18 D HN 0.457 nan 8.370 nan 0.000 0.420 19 P HA -0.171 nan 4.420 nan 0.000 0.216 19 P C 1.375 178.459 177.300 -0.361 0.000 1.153 19 P CA 1.197 64.127 63.100 -0.284 0.000 0.848 19 P CB -0.171 31.264 31.700 -0.441 0.000 0.787 20 Y N -0.531 119.773 120.300 0.008 0.000 2.561 20 Y HA 0.257 4.806 4.550 -0.001 0.000 0.291 20 Y C 2.113 178.000 175.900 -0.021 0.000 1.141 20 Y CA 0.932 59.040 58.100 0.012 0.000 1.303 20 Y CB -0.828 37.657 38.460 0.042 0.000 1.015 20 Y HN 0.099 nan 8.280 nan 0.000 0.547 21 G N -0.079 108.760 108.800 0.065 0.000 2.179 21 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.260 21 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.260 21 G C 0.884 175.771 174.900 -0.022 0.000 0.977 21 G CA 0.597 45.700 45.100 0.006 0.000 0.641 21 G HN 0.420 nan 8.290 nan 0.000 0.533 22 N N 0.193 118.884 118.700 -0.014 0.000 2.197 22 N HA 0.470 5.209 4.740 -0.001 0.000 0.201 22 N C 0.629 176.027 175.510 -0.186 0.000 1.148 22 N CA 0.850 53.823 53.050 -0.129 0.000 0.883 22 N CB 1.044 39.420 38.487 -0.185 0.000 1.012 22 N HN 1.050 nan 8.380 nan 0.000 0.507 23 A N 1.400 124.165 122.820 -0.092 0.000 2.855 23 A HA 0.402 4.722 4.320 -0.001 0.000 0.313 23 A C -2.064 175.489 177.584 -0.050 0.000 1.173 23 A CA -0.940 51.002 52.037 -0.158 0.000 0.753 23 A CB 1.259 20.252 19.000 -0.011 0.000 1.200 23 A HN -0.187 nan 8.150 nan 0.000 0.442 24 P HA -0.059 nan 4.420 nan 0.000 0.230 24 P C 0.587 177.890 177.300 0.005 0.000 1.158 24 P CA 0.805 63.904 63.100 -0.003 0.000 0.769 24 P CB 0.192 31.893 31.700 0.003 0.000 0.807 25 L N 0.065 121.290 121.223 0.003 0.000 2.912 25 L HA 0.214 4.554 4.340 -0.001 0.000 0.240 25 L C 0.802 177.710 176.870 0.063 0.000 1.262 25 L CA -0.093 54.763 54.840 0.027 0.000 1.058 25 L CB -0.564 41.510 42.059 0.025 0.000 1.383 25 L HN 0.034 nan 8.230 nan 0.000 0.512 26 T N -2.798 111.806 114.554 0.084 0.000 2.916 26 T HA 0.878 5.228 4.350 -0.001 0.000 0.292 26 T C -0.475 174.258 174.700 0.054 0.000 1.064 26 T CA -0.568 61.608 62.100 0.126 0.000 1.011 26 T CB 3.083 72.088 68.868 0.228 0.000 1.152 26 T HN 0.087 nan 8.240 nan 0.000 0.510 27 A N 0.738 123.575 122.820 0.027 0.000 2.583 27 A HA 0.883 5.203 4.320 -0.001 0.000 0.289 27 A C -1.948 175.586 177.584 -0.083 0.000 1.151 27 A CA -0.919 51.098 52.037 -0.033 0.000 0.695 27 A CB 1.700 20.676 19.000 -0.039 0.000 1.290 27 A HN 1.150 nan 8.150 nan 0.000 0.419 28 L N 0.423 121.571 121.223 -0.124 0.000 2.470 28 L HA 0.621 4.961 4.340 -0.001 0.000 0.268 28 L C -1.275 175.491 176.870 -0.175 0.000 0.964 28 L CA -0.326 54.421 54.840 -0.155 0.000 0.839 28 L CB 2.104 44.069 42.059 -0.156 0.000 1.276 28 L HN 0.494 nan 8.230 nan 0.000 0.403 29 V N 3.535 123.334 119.914 -0.192 0.000 2.408 29 V HA 0.235 4.354 4.120 -0.001 0.000 0.267 29 V C 0.051 176.044 176.094 -0.169 0.000 1.047 29 V CA -0.517 61.639 62.300 -0.239 0.000 0.937 29 V CB 0.937 32.592 31.823 -0.280 0.000 0.999 29 V HN 0.788 nan 8.190 nan 0.000 0.472 30 D N 3.290 123.604 120.400 -0.143 0.000 2.389 30 D HA 0.121 4.760 4.640 -0.001 0.000 0.247 30 D C 0.761 177.017 176.300 -0.074 0.000 1.128 30 D CA -0.333 53.616 54.000 -0.086 0.000 0.884 30 D CB 1.284 42.046 40.800 -0.064 0.000 1.194 30 D HN 0.318 nan 8.370 nan 0.000 0.441 31 L N 2.891 124.090 121.223 -0.040 0.000 2.291 31 L HA 0.015 4.354 4.340 -0.001 0.000 0.214 31 L C 0.732 177.649 176.870 0.078 0.000 1.120 31 L CA 1.009 55.839 54.840 -0.017 0.000 0.799 31 L CB -1.028 41.029 42.059 -0.004 0.000 0.925 31 L HN 0.734 nan 8.230 nan 0.000 0.446 32 D N -0.245 120.189 120.400 0.057 0.000 2.745 32 D HA -0.281 4.359 4.640 -0.001 0.000 0.225 32 D C 0.834 177.154 176.300 0.032 0.000 1.212 32 D CA 0.893 54.937 54.000 0.072 0.000 0.632 32 D CB -0.897 39.975 40.800 0.121 0.000 0.994 32 D HN 0.397 nan 8.370 nan 0.000 0.407 33 S N -1.649 114.050 115.700 -0.001 0.000 3.127 33 S HA -0.283 4.186 4.470 -0.001 0.000 0.281 33 S C 0.387 174.924 174.600 -0.104 0.000 1.293 33 S CA 0.850 59.017 58.200 -0.056 0.000 1.156 33 S CB -1.265 61.884 63.200 -0.085 0.000 1.389 33 S HN 0.723 nan 8.310 nan 0.000 0.672 34 H N 0.187 119.248 119.070 -0.014 0.000 2.707 34 H HA 0.315 4.871 4.556 -0.001 0.000 0.359 34 H C 0.304 175.631 175.328 -0.002 0.000 1.113 34 H CA 0.440 56.487 56.048 -0.001 0.000 1.422 34 H CB 0.696 30.447 29.762 -0.019 0.000 1.443 34 H HN 0.124 nan 8.280 nan 0.000 0.591 35 V N 5.965 125.960 119.914 0.136 0.000 2.347 35 V HA 0.278 4.397 4.120 -0.001 0.000 0.280 35 V C 0.574 176.752 176.094 0.139 0.000 1.021 35 V CA -0.385 61.974 62.300 0.098 0.000 0.847 35 V CB 0.779 32.645 31.823 0.071 0.000 0.990 35 V HN 0.550 nan 8.190 nan 0.000 0.444 36 I N 2.845 123.480 120.570 0.110 0.000 2.969 36 I HA 1.004 5.173 4.170 -0.001 0.000 0.307 36 I C -0.323 175.871 176.117 0.128 0.000 1.149 36 I CA -0.401 60.993 61.300 0.155 0.000 1.008 36 I CB 2.705 40.727 38.000 0.036 0.000 1.232 36 I HN 0.619 nan 8.210 nan 0.000 0.435 37 S N 0.672 116.477 115.700 0.175 0.000 2.819 37 S HA 0.482 4.952 4.470 -0.001 0.000 0.299 37 S C -0.917 173.781 174.600 0.162 0.000 1.192 37 S CA -0.521 57.760 58.200 0.134 0.000 0.847 37 S CB 1.205 64.466 63.200 0.101 0.000 1.224 37 S HN 0.826 nan 8.310 nan 0.000 0.537 38 D N 0.004 120.474 120.400 0.117 0.000 2.697 38 D HA -0.097 4.543 4.640 -0.001 0.000 0.235 38 D C -0.463 175.921 176.300 0.139 0.000 1.167 38 D CA 0.615 54.679 54.000 0.107 0.000 0.656 38 D CB -1.689 39.161 40.800 0.085 0.000 1.025 38 D HN 0.517 nan 8.370 nan 0.000 0.419 39 V N 0.315 120.314 119.914 0.141 0.000 2.583 39 V HA 0.317 4.437 4.120 -0.001 0.000 0.287 39 V C 0.731 176.889 176.094 0.108 0.000 1.051 39 V CA 0.056 62.448 62.300 0.154 0.000 1.010 39 V CB 1.904 33.798 31.823 0.120 0.000 0.988 39 V HN 0.153 nan 8.190 nan 0.000 0.478 40 K N 3.422 123.873 120.400 0.085 0.000 2.501 40 K HA 0.712 5.032 4.320 -0.001 0.000 0.252 40 K C -2.035 174.521 176.600 -0.074 0.000 0.934 40 K CA -0.519 55.766 56.287 -0.003 0.000 0.797 40 K CB 2.411 34.916 32.500 0.008 0.000 1.270 40 K HN 0.447 nan 8.250 nan 0.000 0.431 41 V N 2.280 122.014 119.914 -0.299 0.000 2.604 41 V HA 0.498 4.617 4.120 -0.001 0.000 0.305 41 V C -0.751 175.089 176.094 -0.423 0.000 1.043 41 V CA -0.667 61.409 62.300 -0.373 0.000 0.888 41 V CB 2.046 33.559 31.823 -0.517 0.000 0.995 41 V HN 0.859 nan 8.190 nan 0.000 0.429 42 T N 3.472 117.876 114.554 -0.249 0.000 2.847 42 T HA 0.477 4.827 4.350 -0.001 0.000 0.291 42 T C -0.541 173.974 174.700 -0.308 0.000 0.998 42 T CA -0.386 61.561 62.100 -0.255 0.000 0.967 42 T CB 1.510 70.237 68.868 -0.236 0.000 0.954 42 T HN 0.339 nan 8.240 nan 0.000 0.441 43 V N 5.351 125.156 119.914 -0.182 0.000 2.333 43 V HA 0.266 4.385 4.120 -0.001 0.000 0.274 43 V C 0.348 176.381 176.094 -0.100 0.000 1.028 43 V CA -0.945 61.287 62.300 -0.113 0.000 0.851 43 V CB 0.166 32.002 31.823 0.021 0.000 1.000 43 V HN 0.816 nan 8.190 nan 0.000 0.456 44 H N 2.728 121.892 119.070 0.156 0.000 2.790 44 H HA 0.198 4.754 4.556 -0.001 0.000 0.358 44 H C 0.894 176.376 175.328 0.256 0.000 1.103 44 H CA 0.487 56.636 56.048 0.167 0.000 1.426 44 H CB 1.099 30.943 29.762 0.137 0.000 1.424 44 H HN 0.795 nan 8.280 nan 0.000 0.599 45 G N 1.677 110.681 108.800 0.339 0.000 2.484 45 G HA2 0.033 3.992 3.960 -0.001 0.000 0.235 45 G HA3 0.033 3.992 3.960 -0.001 0.000 0.235 45 G C 0.119 175.151 174.900 0.220 0.000 1.282 45 G CA -0.411 44.875 45.100 0.311 0.000 0.857 45 G HN 0.561 nan 8.290 nan 0.000 0.571 46 K N 1.903 122.288 120.400 -0.025 0.000 2.258 46 K HA 0.520 4.840 4.320 -0.001 0.000 0.284 46 K C 0.980 177.457 176.600 -0.205 0.000 1.051 46 K CA 0.427 56.473 56.287 -0.403 0.000 0.923 46 K CB 0.244 31.855 32.500 -1.481 0.000 1.046 46 K HN 1.226 nan 8.250 nan 0.000 0.474 47 G N 3.672 112.421 108.800 -0.085 0.000 2.697 47 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.240 47 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.240 47 G C 0.187 175.087 174.900 0.000 0.000 1.346 47 G CA 0.329 45.406 45.100 -0.040 0.000 0.887 47 G HN 0.720 nan 8.290 nan 0.000 0.569 48 E N 0.195 120.398 120.200 0.006 0.000 2.072 48 E HA 0.055 4.404 4.350 -0.001 0.000 0.190 48 E C 2.265 178.885 176.600 0.034 0.000 0.982 48 E CA 1.802 58.214 56.400 0.021 0.000 0.803 48 E CB -0.116 29.594 29.700 0.017 0.000 0.755 48 E HN 0.644 nan 8.360 nan 0.000 0.453 49 K N 0.692 121.112 120.400 0.033 0.000 2.374 49 K HA 0.221 4.541 4.320 -0.001 0.000 0.196 49 K C 0.757 177.402 176.600 0.074 0.000 1.023 49 K CA 0.209 56.527 56.287 0.053 0.000 1.103 49 K CB 0.656 33.186 32.500 0.051 0.000 0.848 49 K HN 0.065 nan 8.250 nan 0.000 0.528 50 G N 1.411 110.252 108.800 0.068 0.000 2.224 50 G HA2 0.017 3.977 3.960 -0.001 0.000 0.239 50 G HA3 0.017 3.977 3.960 -0.001 0.000 0.239 50 G C -0.023 174.975 174.900 0.164 0.000 1.240 50 G CA -0.310 44.863 45.100 0.121 0.000 0.896 50 G HN 0.002 nan 8.290 nan 0.000 0.496 51 V N 3.115 123.149 119.914 0.201 0.000 2.461 51 V HA 0.153 4.272 4.120 -0.001 0.000 0.275 51 V C 0.693 176.880 176.094 0.155 0.000 1.047 51 V CA -0.425 61.968 62.300 0.156 0.000 0.955 51 V CB 1.285 33.187 31.823 0.133 0.000 0.988 51 V HN 0.909 nan 8.190 nan 0.000 0.471 52 E N 5.143 125.421 120.200 0.130 0.000 2.331 52 E HA 0.435 4.784 4.350 -0.001 0.000 0.272 52 E C -0.999 175.653 176.600 0.086 0.000 1.036 52 E CA -0.456 56.014 56.400 0.117 0.000 0.864 52 E CB 0.917 30.687 29.700 0.117 0.000 1.035 52 E HN 0.616 nan 8.360 nan 0.000 0.408 53 I N 3.393 124.008 120.570 0.075 0.000 2.389 53 I HA 0.249 4.418 4.170 -0.001 0.000 0.288 53 I C -0.447 175.748 176.117 0.131 0.000 0.999 53 I CA -0.530 60.852 61.300 0.136 0.000 1.129 53 I CB 1.848 39.951 38.000 0.172 0.000 1.288 53 I HN 0.356 nan 8.210 nan 0.000 0.444 54 S N 6.014 121.807 115.700 0.156 0.000 2.540 54 S HA 0.823 5.292 4.470 -0.001 0.000 0.275 54 S C -1.514 173.170 174.600 0.140 0.000 1.123 54 S CA -0.420 57.796 58.200 0.027 0.000 0.907 54 S CB 1.270 64.470 63.200 0.000 0.000 1.081 54 S HN 0.502 nan 8.310 nan 0.000 0.476 55 Y N 1.107 121.459 120.300 0.088 0.000 2.620 55 Y HA 0.703 5.253 4.550 -0.001 0.000 0.331 55 Y C -3.271 172.691 175.900 0.102 0.000 1.173 55 Y CA -2.104 56.050 58.100 0.089 0.000 1.076 55 Y CB 0.426 38.959 38.460 0.122 0.000 1.336 55 Y HN 0.423 nan 8.280 nan 0.000 0.459 56 P HA 0.421 nan 4.420 nan 0.000 0.278 56 P C -1.069 176.433 177.300 0.337 0.000 1.258 56 P CA -0.447 62.770 63.100 0.195 0.000 0.811 56 P CB 2.415 34.194 31.700 0.132 0.000 1.063 57 V N 1.170 121.235 119.914 0.252 0.000 2.483 57 V HA 0.495 4.615 4.120 -0.001 0.000 0.297 57 V C 0.908 177.107 176.094 0.176 0.000 1.027 57 V CA -0.537 61.926 62.300 0.271 0.000 0.855 57 V CB 1.337 33.296 31.823 0.226 0.000 0.995 57 V HN 0.815 nan 8.190 nan 0.000 0.424 58 G N 2.261 111.158 108.800 0.163 0.000 2.599 58 G HA2 0.282 4.241 3.960 -0.001 0.000 0.264 58 G HA3 0.282 4.241 3.960 -0.001 0.000 0.264 58 G C 0.578 175.526 174.900 0.080 0.000 1.200 58 G CA -0.188 44.972 45.100 0.100 0.000 0.896 58 G HN 0.576 nan 8.290 nan 0.000 0.536 59 Q N -0.123 119.709 119.800 0.053 0.000 2.096 59 Q HA -0.124 4.215 4.340 -0.001 0.000 0.204 59 Q C 2.438 178.448 176.000 0.017 0.000 0.982 59 Q CA 1.688 57.512 55.803 0.036 0.000 0.850 59 Q CB -0.218 28.537 28.738 0.028 0.000 0.901 59 Q HN 0.820 nan 8.270 nan 0.000 0.422 60 E N -0.016 120.187 120.200 0.005 0.000 2.118 60 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 60 E C 2.090 178.651 176.600 -0.064 0.000 0.992 60 E CA 1.176 57.559 56.400 -0.028 0.000 0.804 60 E CB 0.028 29.707 29.700 -0.035 0.000 0.741 60 E HN 0.185 nan 8.360 nan 0.000 0.458 61 S N 0.825 116.515 115.700 -0.016 0.000 2.371 61 S HA -0.048 4.422 4.470 -0.001 0.000 0.224 61 S C 2.045 176.647 174.600 0.002 0.000 1.029 61 S CA 0.560 58.736 58.200 -0.039 0.000 0.978 61 S CB -0.087 63.252 63.200 0.230 0.000 0.833 61 S HN 0.165 nan 8.310 nan 0.000 0.466 62 L N 1.281 122.542 121.223 0.064 0.000 2.017 62 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 62 L C 2.443 179.331 176.870 0.031 0.000 1.073 62 L CA 1.317 56.198 54.840 0.069 0.000 0.745 62 L CB -0.489 41.597 42.059 0.046 0.000 0.894 62 L HN 0.242 nan 8.230 nan 0.000 0.432 63 K N -0.633 119.764 120.400 -0.005 0.000 2.057 63 K HA -0.139 4.180 4.320 -0.001 0.000 0.207 63 K C 2.098 178.672 176.600 -0.044 0.000 1.049 63 K CA 1.868 58.145 56.287 -0.017 0.000 0.931 63 K CB -0.316 32.171 32.500 -0.021 0.000 0.714 63 K HN 0.265 nan 8.250 nan 0.000 0.440 64 T N 0.163 114.637 114.554 -0.133 0.000 2.777 64 T HA -0.105 4.244 4.350 -0.001 0.000 0.266 64 T C 1.324 175.934 174.700 -0.151 0.000 1.040 64 T CA 1.244 63.216 62.100 -0.214 0.000 1.141 64 T CB -0.173 68.434 68.868 -0.434 0.000 0.868 64 T HN 0.185 nan 8.240 nan 0.000 0.444 65 Y N 0.730 121.081 120.300 0.086 0.000 2.500 65 Y HA 0.259 4.809 4.550 -0.001 0.000 0.270 65 Y C 0.994 176.920 175.900 0.043 0.000 1.134 65 Y CA -0.994 57.170 58.100 0.106 0.000 1.293 65 Y CB -0.336 38.173 38.460 0.082 0.000 1.063 65 Y HN 0.117 nan 8.280 nan 0.000 0.534 66 D N 0.206 120.682 120.400 0.128 0.000 2.689 66 D HA -0.029 4.611 4.640 -0.001 0.000 0.237 66 D C 0.180 176.512 176.300 0.052 0.000 1.148 66 D CA 1.496 55.537 54.000 0.068 0.000 0.656 66 D CB -0.991 39.837 40.800 0.047 0.000 1.050 66 D HN 0.646 nan 8.370 nan 0.000 0.426 67 G N -2.348 106.492 108.800 0.066 0.000 2.321 67 G HA2 0.388 4.348 3.960 -0.001 0.000 0.298 67 G HA3 0.388 4.348 3.960 -0.001 0.000 0.298 67 G C -1.244 173.663 174.900 0.013 0.000 1.385 67 G CA -0.286 44.817 45.100 0.006 0.000 0.856 67 G HN 0.493 nan 8.290 nan 0.000 0.584 68 V N 2.399 122.270 119.914 -0.071 0.000 2.383 68 V HA 0.497 4.616 4.120 -0.001 0.000 0.275 68 V C -1.852 174.159 176.094 -0.139 0.000 1.036 68 V CA -1.282 60.971 62.300 -0.078 0.000 0.889 68 V CB 1.437 33.203 31.823 -0.095 0.000 0.985 68 V HN 0.586 nan 8.190 nan 0.000 0.459 69 P HA 0.366 nan 4.420 nan 0.000 0.282 69 P C -0.651 176.528 177.300 -0.200 0.000 1.262 69 P CA -0.102 62.720 63.100 -0.463 0.000 0.773 69 P CB 0.820 31.840 31.700 -1.133 0.000 0.879 70 I N 4.838 125.372 120.570 -0.061 0.000 2.330 70 I HA 0.317 4.487 4.170 -0.001 0.000 0.286 70 I C 0.068 176.332 176.117 0.245 0.000 1.025 70 I CA -0.749 60.637 61.300 0.143 0.000 1.197 70 I CB 0.271 38.310 38.000 0.065 0.000 1.358 70 I HN 0.250 nan 8.210 nan 0.000 0.467 71 F N 5.442 125.563 119.950 0.284 0.000 2.480 71 F HA 0.753 5.280 4.527 -0.001 0.000 0.329 71 F C 0.811 176.765 175.800 0.257 0.000 1.091 71 F CA -0.314 57.844 58.000 0.264 0.000 0.972 71 F CB 1.852 40.978 39.000 0.211 0.000 1.150 71 F HN 0.588 nan 8.300 nan 0.000 0.467 72 G N 4.857 113.142 108.800 -0.858 0.000 2.141 72 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.164 72 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.164 72 G C -0.563 174.110 174.900 -0.378 0.000 1.009 72 G CA -0.191 44.468 45.100 -0.735 0.000 0.677 72 G HN 0.761 nan 8.290 nan 0.000 0.508 73 L N -0.310 120.777 121.223 -0.226 0.000 2.466 73 L HA 0.590 4.929 4.340 -0.001 0.000 0.257 73 L C 0.802 177.586 176.870 -0.143 0.000 1.189 73 L CA -1.006 53.778 54.840 -0.093 0.000 0.813 73 L CB 0.341 42.420 42.059 0.034 0.000 1.118 73 L HN 0.118 nan 8.230 nan 0.000 0.471 74 Y N -0.414 119.937 120.300 0.085 0.000 2.376 74 Y HA 0.262 4.811 4.550 -0.001 0.000 0.325 74 Y C 0.254 176.194 175.900 0.067 0.000 1.199 74 Y CA -0.752 57.371 58.100 0.038 0.000 1.206 74 Y CB 1.097 39.496 38.460 -0.101 0.000 1.229 74 Y HN 0.488 nan 8.280 nan 0.000 0.480 75 Q N 1.690 121.586 119.800 0.160 0.000 2.373 75 Q HA 0.198 4.537 4.340 -0.001 0.000 0.255 75 Q C -0.391 175.680 176.000 0.119 0.000 0.980 75 Q CA -0.812 55.032 55.803 0.068 0.000 0.882 75 Q CB 0.583 29.279 28.738 -0.070 0.000 1.249 75 Q HN 0.647 nan 8.270 nan 0.000 0.438 76 K N 0.739 121.195 120.400 0.093 0.000 3.278 76 K HA -0.221 4.098 4.320 -0.001 0.000 0.270 76 K C -1.607 175.126 176.600 0.222 0.000 0.955 76 K CA 0.467 56.816 56.287 0.104 0.000 0.723 76 K CB -1.018 31.500 32.500 0.029 0.000 1.382 76 K HN 0.569 nan 8.250 nan 0.000 0.461 77 F N -0.564 119.409 119.950 0.038 0.000 2.631 77 F HA 0.525 5.051 4.527 -0.001 0.000 0.308 77 F C -0.816 174.964 175.800 -0.034 0.000 1.097 77 F CA -0.539 57.471 58.000 0.017 0.000 0.952 77 F CB 1.498 40.518 39.000 0.034 0.000 1.307 77 F HN -0.021 nan 8.300 nan 0.000 0.450 78 A N 4.893 127.140 122.820 -0.956 0.000 2.922 78 A HA 0.294 4.614 4.320 -0.001 0.000 0.298 78 A C -0.289 176.699 177.584 -0.995 0.000 1.588 78 A CA -0.489 50.936 52.037 -1.021 0.000 1.288 78 A CB -1.156 17.356 19.000 -0.814 0.000 1.130 78 A HN 0.666 nan 8.150 nan 0.000 0.557 79 N N 1.682 120.106 118.700 -0.460 0.000 2.492 79 N HA 0.089 4.829 4.740 -0.001 0.000 0.260 79 N C -0.432 175.075 175.510 -0.006 0.000 1.215 79 N CA 0.434 53.481 53.050 -0.005 0.000 0.923 79 N CB 0.930 39.538 38.487 0.203 0.000 1.092 79 N HN 0.475 nan 8.380 nan 0.000 0.448 80 K N 1.668 122.163 120.400 0.158 0.000 2.293 80 K HA 0.434 4.753 4.320 -0.001 0.000 0.267 80 K C -0.993 175.774 176.600 0.278 0.000 1.010 80 K CA -0.553 55.858 56.287 0.207 0.000 0.875 80 K CB 1.557 34.199 32.500 0.236 0.000 1.106 80 K HN 0.209 nan 8.250 nan 0.000 0.450 81 V N 2.329 122.361 119.914 0.197 0.000 2.588 81 V HA 0.340 4.459 4.120 -0.001 0.000 0.304 81 V C -0.370 175.796 176.094 0.119 0.000 1.042 81 V CA -0.750 61.620 62.300 0.117 0.000 0.877 81 V CB 2.160 34.083 31.823 0.166 0.000 0.996 81 V HN 0.713 nan 8.190 nan 0.000 0.425 82 T N 3.970 118.540 114.554 0.026 0.000 2.792 82 T HA 0.638 4.988 4.350 -0.001 0.000 0.280 82 T C -0.603 174.126 174.700 0.048 0.000 0.990 82 T CA -0.371 61.755 62.100 0.043 0.000 0.960 82 T CB 1.593 70.517 68.868 0.094 0.000 0.939 82 T HN 0.369 nan 8.240 nan 0.000 0.439 83 V N 3.890 123.874 119.914 0.118 0.000 2.487 83 V HA 0.498 4.618 4.120 -0.001 0.000 0.298 83 V C -0.287 176.008 176.094 0.335 0.000 1.028 83 V CA -0.853 61.580 62.300 0.221 0.000 0.860 83 V CB 1.860 33.875 31.823 0.319 0.000 0.991 83 V HN 0.851 nan 8.190 nan 0.000 0.427 84 E N 4.124 124.498 120.200 0.290 0.000 2.210 84 E HA 0.656 5.006 4.350 -0.001 0.000 0.266 84 E C -1.270 175.562 176.600 0.387 0.000 0.883 84 E CA -0.584 55.951 56.400 0.225 0.000 0.761 84 E CB 2.345 32.075 29.700 0.051 0.000 1.156 84 E HN 0.729 nan 8.360 nan 0.000 0.412 85 W N 1.294 122.590 121.300 -0.006 0.000 3.003 85 W HA 0.614 5.274 4.660 -0.001 0.000 0.362 85 W C -1.490 175.033 176.519 0.005 0.000 1.213 85 W CA -1.161 56.188 57.345 0.005 0.000 1.157 85 W CB 0.827 30.295 29.460 0.014 0.000 1.493 85 W HN 0.188 nan 8.180 nan 0.000 0.589 86 K N 1.385 121.902 120.400 0.196 0.000 2.221 86 K HA 0.472 4.791 4.320 -0.001 0.000 0.258 86 K C -1.346 175.391 176.600 0.228 0.000 0.944 86 K CA -0.501 55.832 56.287 0.075 0.000 0.823 86 K CB 1.883 34.425 32.500 0.069 0.000 1.113 86 K HN 0.607 nan 8.250 nan 0.000 0.431 87 E N 3.512 123.797 120.200 0.142 0.000 2.307 87 E HA 0.151 4.500 4.350 -0.001 0.000 0.280 87 E C -1.152 175.521 176.600 0.121 0.000 0.900 87 E CA -0.484 56.046 56.400 0.216 0.000 0.790 87 E CB 0.666 30.598 29.700 0.385 0.000 1.261 87 E HN 0.749 nan 8.360 nan 0.000 0.405 88 N N 2.998 121.763 118.700 0.108 0.000 2.740 88 N HA -0.234 4.505 4.740 -0.001 0.000 0.248 88 N C 0.619 176.155 175.510 0.044 0.000 1.062 88 N CA 1.565 54.657 53.050 0.071 0.000 0.704 88 N CB -1.362 37.169 38.487 0.072 0.000 0.968 88 N HN 1.018 nan 8.380 nan 0.000 0.547 89 G N -0.896 107.928 108.800 0.041 0.000 2.184 89 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.264 89 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.264 89 G C 0.009 174.909 174.900 0.000 0.000 0.975 89 G CA 1.080 46.193 45.100 0.021 0.000 0.642 89 G HN 0.702 nan 8.290 nan 0.000 0.536 90 K N 0.457 120.850 120.400 -0.011 0.000 2.221 90 K HA 0.623 4.943 4.320 -0.001 0.000 0.258 90 K C 0.209 176.742 176.600 -0.111 0.000 0.944 90 K CA -0.788 55.469 56.287 -0.050 0.000 0.823 90 K CB 1.787 34.260 32.500 -0.044 0.000 1.113 90 K HN 0.002 nan 8.250 nan 0.000 0.431 91 V N 5.689 125.525 119.914 -0.131 0.000 2.508 91 V HA 0.180 4.299 4.120 -0.001 0.000 0.281 91 V C 0.237 176.139 176.094 -0.321 0.000 1.041 91 V CA 0.043 62.229 62.300 -0.190 0.000 1.016 91 V CB 0.888 32.632 31.823 -0.131 0.000 0.984 91 V HN 0.757 nan 8.190 nan 0.000 0.478 92 M N 4.991 124.255 119.600 -0.560 0.000 2.644 92 M HA 0.647 5.126 4.480 -0.001 0.000 0.304 92 M C -0.749 174.967 176.300 -0.973 0.000 1.215 92 M CA -0.779 53.959 55.300 -0.938 0.000 0.871 92 M CB 2.336 33.908 32.600 -1.713 0.000 1.740 92 M HN 0.577 nan 8.290 nan 0.000 0.464 93 K N 1.061 120.966 120.400 -0.824 0.000 2.557 93 K HA 0.498 4.818 4.320 -0.001 0.000 0.261 93 K C -2.193 174.268 176.600 -0.232 0.000 0.932 93 K CA -0.420 55.614 56.287 -0.422 0.000 0.829 93 K CB 2.440 34.803 32.500 -0.228 0.000 1.358 93 K HN 0.652 nan 8.250 nan 0.000 0.430 94 D N 0.902 121.279 120.400 -0.039 0.000 2.645 94 D HA 0.415 5.054 4.640 -0.001 0.000 0.228 94 D C -1.543 174.516 176.300 -0.402 0.000 1.148 94 D CA -0.209 53.658 54.000 -0.222 0.000 0.860 94 D CB 1.903 42.522 40.800 -0.303 0.000 1.548 94 D HN 0.339 nan 8.370 nan 0.000 0.460 95 D N 0.800 120.921 120.400 -0.464 0.000 2.505 95 D HA 0.337 4.976 4.640 -0.001 0.000 0.249 95 D C -0.796 175.277 176.300 -0.379 0.000 1.082 95 D CA -0.220 53.601 54.000 -0.300 0.000 0.839 95 D CB 1.285 42.018 40.800 -0.111 0.000 1.317 95 D HN 0.201 nan 8.370 nan 0.000 0.497 96 Y N -0.093 120.242 120.300 0.058 0.000 2.446 96 Y HA 0.396 4.946 4.550 -0.001 0.000 0.345 96 Y C 0.135 176.042 175.900 0.012 0.000 0.984 96 Y CA -1.083 57.037 58.100 0.034 0.000 1.058 96 Y CB 1.811 40.287 38.460 0.028 0.000 1.220 96 Y HN -0.004 nan 8.280 nan 0.000 0.455 97 V N 3.918 123.925 119.914 0.155 0.000 2.328 97 V HA 0.339 4.459 4.120 -0.001 0.000 0.278 97 V C -0.546 175.542 176.094 -0.011 0.000 1.021 97 V CA -0.830 61.472 62.300 0.005 0.000 0.838 97 V CB 0.887 32.682 31.823 -0.046 0.000 0.999 97 V HN 0.541 nan 8.190 nan 0.000 0.447 98 V N 5.248 125.125 119.914 -0.060 0.000 2.277 98 V HA 0.308 4.427 4.120 -0.001 0.000 0.269 98 V C -0.021 176.011 176.094 -0.103 0.000 1.036 98 V CA -0.705 61.580 62.300 -0.026 0.000 0.821 98 V CB 0.066 31.898 31.823 0.015 0.000 1.052 98 V HN 0.875 nan 8.190 nan 0.000 0.462 99 H N 2.472 121.530 119.070 -0.021 0.000 2.803 99 H HA 0.444 4.999 4.556 -0.001 0.000 0.330 99 H C 0.893 176.221 175.328 -0.001 0.000 1.057 99 H CA 0.432 56.465 56.048 -0.026 0.000 1.458 99 H CB 0.746 30.483 29.762 -0.041 0.000 1.470 99 H HN 0.751 nan 8.280 nan 0.000 0.560 100 T N -0.314 114.311 114.554 0.118 0.000 2.940 100 T HA 0.556 4.906 4.350 -0.001 0.000 0.288 100 T C 0.420 175.156 174.700 0.061 0.000 1.045 100 T CA -1.055 61.093 62.100 0.080 0.000 1.018 100 T CB 2.082 71.001 68.868 0.085 0.000 1.151 100 T HN 0.475 nan 8.240 nan 0.000 0.529 101 S N -0.706 115.004 115.700 0.017 0.000 2.677 101 S HA 0.772 5.241 4.470 -0.001 0.000 0.290 101 S C 0.174 174.743 174.600 -0.051 0.000 1.124 101 S CA -0.410 57.780 58.200 -0.017 0.000 1.017 101 S CB 0.271 63.450 63.200 -0.036 0.000 1.215 101 S HN 1.168 nan 8.310 nan 0.000 0.524 102 A N 0.783 123.549 122.820 -0.091 0.000 2.322 102 A HA 0.583 4.902 4.320 -0.001 0.000 0.269 102 A C -0.233 177.199 177.584 -0.252 0.000 1.094 102 A CA -0.471 51.470 52.037 -0.160 0.000 0.807 102 A CB -0.172 18.736 19.000 -0.152 0.000 1.047 102 A HN 0.740 nan 8.150 nan 0.000 0.487 103 I N 1.544 121.865 120.570 -0.415 0.000 2.496 103 I HA 0.218 4.387 4.170 -0.001 0.000 0.285 103 I C -0.575 175.176 176.117 -0.610 0.000 1.080 103 I CA 0.017 60.852 61.300 -0.775 0.000 1.404 103 I CB 1.135 38.477 38.000 -1.095 0.000 1.403 103 I HN 0.242 nan 8.210 nan 0.000 0.539 104 V N 6.001 125.617 119.914 -0.496 0.000 2.495 104 V HA 0.270 4.390 4.120 -0.001 0.000 0.298 104 V C -0.079 175.952 176.094 -0.105 0.000 1.031 104 V CA -0.800 61.358 62.300 -0.235 0.000 0.871 104 V CB 1.840 33.595 31.823 -0.114 0.000 0.988 104 V HN 0.654 nan 8.190 nan 0.000 0.432 105 N N 3.980 122.649 118.700 -0.052 0.000 2.439 105 N HA 0.230 4.969 4.740 -0.001 0.000 0.249 105 N C 0.485 176.032 175.510 0.062 0.000 1.003 105 N CA -0.178 52.947 53.050 0.124 0.000 0.942 105 N CB 0.711 39.330 38.487 0.219 0.000 1.115 105 N HN 0.550 nan 8.380 nan 0.000 0.505 106 N N 2.741 121.460 118.700 0.030 0.000 2.383 106 N HA -0.025 4.714 4.740 -0.001 0.000 0.192 106 N C -0.805 174.371 175.510 -0.557 0.000 1.141 106 N CA 0.459 53.342 53.050 -0.278 0.000 0.851 106 N CB 0.280 38.521 38.487 -0.411 0.000 0.976 106 N HN 0.537 nan 8.380 nan 0.000 0.465 107 Y N 0.408 120.766 120.300 0.097 0.000 2.681 107 Y HA 0.452 5.001 4.550 -0.001 0.000 0.347 107 Y C -0.102 175.853 175.900 0.091 0.000 1.029 107 Y CA -0.405 57.753 58.100 0.097 0.000 1.279 107 Y CB 0.619 39.144 38.460 0.108 0.000 1.096 107 Y HN -0.262 nan 8.280 nan 0.000 0.580 108 M N 2.576 122.257 119.600 0.136 0.000 2.446 108 M HA 0.460 4.940 4.480 -0.001 0.000 0.294 108 M C -1.402 174.948 176.300 0.083 0.000 1.158 108 M CA -0.527 54.837 55.300 0.106 0.000 0.899 108 M CB 2.742 35.378 32.600 0.061 0.000 1.687 108 M HN 0.592 nan 8.290 nan 0.000 0.455 109 D N -0.410 120.039 120.400 0.082 0.000 3.009 109 D HA 0.243 4.883 4.640 -0.001 0.000 0.318 109 D C 0.132 176.465 176.300 0.054 0.000 1.273 109 D CA -0.694 53.344 54.000 0.064 0.000 1.001 109 D CB 0.191 41.036 40.800 0.075 0.000 1.411 109 D HN 0.572 nan 8.370 nan 0.000 0.577 110 N N -0.036 118.691 118.700 0.046 0.000 2.520 110 N HA -0.137 4.602 4.740 -0.001 0.000 0.185 110 N C 0.999 176.536 175.510 0.046 0.000 1.068 110 N CA 0.512 53.585 53.050 0.038 0.000 0.911 110 N CB -0.059 38.445 38.487 0.029 0.000 0.961 110 N HN 0.304 nan 8.380 nan 0.000 0.446 111 R N 0.314 120.852 120.500 0.063 0.000 2.240 111 R HA 0.173 4.513 4.340 -0.001 0.000 0.203 111 R C 0.283 176.625 176.300 0.070 0.000 1.011 111 R CA -0.012 56.133 56.100 0.076 0.000 1.007 111 R CB 0.170 30.540 30.300 0.115 0.000 0.911 111 R HN 0.041 nan 8.270 nan 0.000 0.468 112 S N 0.917 116.654 115.700 0.062 0.000 2.537 112 S HA 0.057 4.527 4.470 -0.001 0.000 0.286 112 S C 1.424 176.043 174.600 0.031 0.000 1.299 112 S CA -0.215 58.014 58.200 0.048 0.000 1.067 112 S CB 0.653 63.882 63.200 0.048 0.000 0.864 112 S HN 0.124 nan 8.310 nan 0.000 0.494 113 I N 2.217 122.800 120.570 0.021 0.000 2.162 113 I HA -0.078 4.092 4.170 -0.001 0.000 0.238 113 I C 1.312 177.434 176.117 0.008 0.000 1.076 113 I CA 0.678 61.987 61.300 0.015 0.000 1.353 113 I CB -0.122 37.885 38.000 0.011 0.000 1.063 113 I HN 0.673 nan 8.210 nan 0.000 0.408 114 S N -0.892 114.809 115.700 0.001 0.000 2.752 114 S HA 0.168 4.638 4.470 -0.001 0.000 0.284 114 S C 0.223 174.824 174.600 0.001 0.000 1.189 114 S CA -0.318 57.879 58.200 -0.006 0.000 0.835 114 S CB 1.229 64.418 63.200 -0.019 0.000 1.192 114 S HN 0.307 nan 8.310 nan 0.000 0.506 115 D N 0.451 120.847 120.400 -0.007 0.000 2.123 115 D HA 0.024 4.663 4.640 -0.001 0.000 0.200 115 D C 0.777 177.121 176.300 0.072 0.000 0.976 115 D CA 0.858 54.868 54.000 0.018 0.000 0.831 115 D CB -0.374 40.411 40.800 -0.026 0.000 0.974 115 D HN 0.520 nan 8.370 nan 0.000 0.469 116 L N 0.156 121.387 121.223 0.014 0.000 2.358 116 L HA 0.317 4.656 4.340 -0.001 0.000 0.268 116 L C 0.525 177.389 176.870 -0.009 0.000 1.032 116 L CA -1.018 53.878 54.840 0.094 0.000 0.805 116 L CB 1.313 43.292 42.059 -0.133 0.000 1.253 116 L HN -0.134 nan 8.230 nan 0.000 0.452 117 Q N 1.429 121.197 119.800 -0.054 0.000 2.288 117 Q HA 0.189 4.528 4.340 -0.001 0.000 0.254 117 Q C -0.925 175.115 176.000 0.067 0.000 0.932 117 Q CA -0.634 55.108 55.803 -0.102 0.000 0.902 117 Q CB 1.362 29.965 28.738 -0.225 0.000 1.203 117 Q HN 0.343 nan 8.270 nan 0.000 0.415 118 Q N 1.623 121.462 119.800 0.065 0.000 2.299 118 Q HA 0.224 4.563 4.340 -0.001 0.000 0.246 118 Q C 0.025 176.114 176.000 0.148 0.000 0.935 118 Q CA 0.020 55.880 55.803 0.095 0.000 0.887 118 Q CB 1.210 29.986 28.738 0.063 0.000 1.223 118 Q HN 0.680 nan 8.270 nan 0.000 0.439 119 T N -1.102 113.555 114.554 0.172 0.000 2.918 119 T HA 0.702 5.051 4.350 -0.001 0.000 0.286 119 T C -0.358 174.422 174.700 0.133 0.000 1.026 119 T CA -0.959 61.250 62.100 0.182 0.000 1.031 119 T CB 1.498 70.511 68.868 0.242 0.000 1.046 119 T HN 0.351 nan 8.240 nan 0.000 0.479 120 K N 1.911 122.383 120.400 0.120 0.000 2.613 120 K HA 0.488 4.808 4.320 -0.001 0.000 0.248 120 K C -1.182 175.477 176.600 0.098 0.000 0.959 120 K CA -0.810 55.536 56.287 0.099 0.000 0.855 120 K CB 2.336 34.887 32.500 0.085 0.000 1.143 120 K HN 0.468 nan 8.250 nan 0.000 0.437 121 V N 5.426 125.400 119.914 0.099 0.000 2.470 121 V HA 0.100 4.219 4.120 -0.001 0.000 0.276 121 V C 1.245 177.387 176.094 0.080 0.000 1.040 121 V CA 0.240 62.598 62.300 0.098 0.000 1.008 121 V CB 0.454 32.341 31.823 0.106 0.000 0.990 121 V HN 0.786 nan 8.190 nan 0.000 0.477 122 I N 2.965 123.580 120.570 0.075 0.000 2.810 122 I HA 0.184 4.353 4.170 -0.001 0.000 0.262 122 I C 0.864 177.015 176.117 0.057 0.000 1.131 122 I CA 0.555 61.894 61.300 0.064 0.000 1.453 122 I CB 0.364 38.402 38.000 0.064 0.000 1.161 122 I HN 0.540 nan 8.210 nan 0.000 0.444 123 K N 0.495 120.930 120.400 0.058 0.000 2.543 123 K HA 0.485 4.805 4.320 -0.001 0.000 0.255 123 K C -1.754 174.881 176.600 0.059 0.000 0.934 123 K CA -0.315 56.000 56.287 0.048 0.000 0.810 123 K CB 2.025 34.541 32.500 0.026 0.000 1.315 123 K HN -0.217 nan 8.250 nan 0.000 0.433 124 V N 3.556 123.512 119.914 0.071 0.000 2.439 124 V HA 0.599 4.718 4.120 -0.001 0.000 0.277 124 V C 0.007 176.159 176.094 0.097 0.000 1.008 124 V CA -0.804 61.557 62.300 0.101 0.000 0.846 124 V CB 1.069 32.979 31.823 0.144 0.000 1.031 124 V HN 0.983 nan 8.190 nan 0.000 0.441 125 A N 6.713 129.563 122.820 0.049 0.000 2.547 125 A HA 0.501 4.821 4.320 -0.001 0.000 0.233 125 A C -2.292 175.426 177.584 0.224 0.000 1.067 125 A CA -0.539 51.553 52.037 0.092 0.000 0.763 125 A CB -0.273 18.724 19.000 -0.005 0.000 1.007 125 A HN 0.608 nan 8.150 nan 0.000 0.506 126 P HA 0.301 nan 4.420 nan 0.000 0.268 126 P C 0.952 178.402 177.300 0.249 0.000 1.204 126 P CA 1.712 64.922 63.100 0.183 0.000 0.768 126 P CB 0.674 32.450 31.700 0.126 0.000 0.842 127 G N 1.266 110.160 108.800 0.157 0.000 2.176 127 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.253 127 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.253 127 G C 0.404 175.223 174.900 -0.135 0.000 0.979 127 G CA -0.282 44.832 45.100 0.023 0.000 0.641 127 G HN 0.477 nan 8.290 nan 0.000 0.530 128 F N 0.601 120.588 119.950 0.061 0.000 2.683 128 F HA 0.391 4.917 4.527 -0.001 0.000 0.306 128 F C 1.754 177.603 175.800 0.082 0.000 1.102 128 F CA 0.185 58.230 58.000 0.074 0.000 1.244 128 F CB 0.769 39.832 39.000 0.104 0.000 1.029 128 F HN 0.138 nan 8.300 nan 0.000 0.545 129 E N 0.490 120.798 120.200 0.180 0.000 2.204 129 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 129 E C 1.760 178.425 176.600 0.109 0.000 0.989 129 E CA 1.381 57.870 56.400 0.149 0.000 0.824 129 E CB -0.136 29.633 29.700 0.115 0.000 0.756 129 E HN 0.395 nan 8.360 nan 0.000 0.477 130 D N -0.084 120.350 120.400 0.058 0.000 2.317 130 D HA -0.098 4.541 4.640 -0.001 0.000 0.211 130 D C 0.332 176.618 176.300 -0.024 0.000 0.966 130 D CA 0.164 54.176 54.000 0.021 0.000 0.876 130 D CB -0.021 40.773 40.800 -0.010 0.000 0.927 130 D HN -0.149 nan 8.370 nan 0.000 0.519 131 R N 0.631 121.112 120.500 -0.032 0.000 2.538 131 R HA 0.259 4.599 4.340 -0.001 0.000 0.282 131 R C 0.037 176.111 176.300 -0.376 0.000 1.009 131 R CA 0.052 56.019 56.100 -0.222 0.000 1.063 131 R CB 0.270 30.506 30.300 -0.107 0.000 0.945 131 R HN 0.283 nan 8.270 nan 0.000 0.414 132 L N 4.036 124.921 121.223 -0.565 0.000 2.362 132 L HA 0.464 4.804 4.340 -0.001 0.000 0.271 132 L C -0.940 175.522 176.870 -0.679 0.000 1.002 132 L CA -0.895 53.691 54.840 -0.424 0.000 0.818 132 L CB 1.438 43.407 42.059 -0.149 0.000 1.298 132 L HN 0.448 nan 8.230 nan 0.000 0.420 133 Y N 2.866 123.112 120.300 -0.090 0.000 2.346 133 Y HA 0.414 4.964 4.550 -0.001 0.000 0.332 133 Y C -0.330 175.435 175.900 -0.226 0.000 0.985 133 Y CA -0.524 57.476 58.100 -0.166 0.000 1.112 133 Y CB 1.939 40.347 38.460 -0.087 0.000 1.170 133 Y HN 0.373 nan 8.280 nan 0.000 0.447 134 L N 4.882 126.015 121.223 -0.150 0.000 2.278 134 L HA 0.612 4.952 4.340 -0.001 0.000 0.287 134 L C -1.103 175.575 176.870 -0.320 0.000 1.072 134 L CA -0.693 54.006 54.840 -0.235 0.000 0.819 134 L CB 0.368 42.252 42.059 -0.292 0.000 1.176 134 L HN 0.457 nan 8.230 nan 0.000 0.435 135 V N 5.205 124.810 119.914 -0.515 0.000 2.370 135 V HA 0.190 4.310 4.120 -0.001 0.000 0.279 135 V C 0.266 176.141 176.094 -0.365 0.000 1.029 135 V CA -0.565 61.362 62.300 -0.623 0.000 0.870 135 V CB 1.381 32.603 31.823 -1.001 0.000 0.984 135 V HN 0.784 nan 8.190 nan 0.000 0.451 136 N N 3.327 121.885 118.700 -0.238 0.000 2.801 136 N HA 0.277 5.016 4.740 -0.001 0.000 0.235 136 N C -0.297 175.228 175.510 0.025 0.000 1.069 136 N CA -0.051 52.966 53.050 -0.055 0.000 0.946 136 N CB 0.659 39.207 38.487 0.101 0.000 1.212 136 N HN 0.770 nan 8.380 nan 0.000 0.509 137 T N 1.225 115.732 114.554 -0.077 0.000 2.724 137 T HA 0.498 4.848 4.350 -0.001 0.000 0.274 137 T C -1.481 172.934 174.700 -0.475 0.000 0.984 137 T CA -0.185 61.935 62.100 0.033 0.000 1.024 137 T CB 1.137 70.245 68.868 0.400 0.000 1.320 137 T HN 0.559 nan 8.240 nan 0.000 0.555 138 H N -1.040 118.054 119.070 0.040 0.000 3.014 138 H HA 0.616 5.171 4.556 -0.001 0.000 0.337 138 H C -1.210 173.975 175.328 -0.238 0.000 1.320 138 H CA -0.590 55.365 56.048 -0.155 0.000 1.128 138 H CB 2.041 31.562 29.762 -0.401 0.000 1.862 138 H HN 0.619 nan 8.280 nan 0.000 0.536 139 T N 1.423 115.884 114.554 -0.155 0.000 2.971 139 T HA 0.422 4.771 4.350 -0.001 0.000 0.304 139 T C -1.152 173.445 174.700 -0.173 0.000 1.038 139 T CA -0.697 61.282 62.100 -0.202 0.000 1.007 139 T CB 0.188 69.081 68.868 0.042 0.000 1.055 139 T HN 0.259 nan 8.240 nan 0.000 0.451 140 F N 3.480 123.388 119.950 -0.070 0.000 2.595 140 F HA 0.282 4.809 4.527 -0.001 0.000 0.359 140 F C 1.812 177.596 175.800 -0.026 0.000 1.147 140 F CA -0.307 57.647 58.000 -0.076 0.000 1.341 140 F CB 0.249 39.227 39.000 -0.037 0.000 1.104 140 F HN 0.574 nan 8.300 nan 0.000 0.603 141 T N -0.719 113.942 114.554 0.178 0.000 2.922 141 T HA 0.593 4.943 4.350 -0.001 0.000 0.285 141 T C 1.002 175.799 174.700 0.161 0.000 1.005 141 T CA -0.415 61.789 62.100 0.174 0.000 1.061 141 T CB 1.576 70.515 68.868 0.119 0.000 1.007 141 T HN 0.659 nan 8.240 nan 0.000 0.502 142 A N 1.653 124.579 122.820 0.175 0.000 1.908 142 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 142 A C 2.200 179.822 177.584 0.064 0.000 1.181 142 A CA 1.690 53.793 52.037 0.110 0.000 0.627 142 A CB -0.867 18.193 19.000 0.101 0.000 0.818 142 A HN 0.903 nan 8.150 nan 0.000 0.445 143 Q N -0.978 118.860 119.800 0.064 0.000 2.398 143 Q HA 0.430 4.769 4.340 -0.001 0.000 0.204 143 Q C 1.196 177.197 176.000 0.003 0.000 0.932 143 Q CA 0.553 56.374 55.803 0.029 0.000 0.916 143 Q CB -0.543 28.214 28.738 0.031 0.000 1.024 143 Q HN 0.923 nan 8.270 nan 0.000 0.504 144 G N 0.677 109.478 108.800 0.001 0.000 2.645 144 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.239 144 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.239 144 G C -0.379 174.503 174.900 -0.029 0.000 1.331 144 G CA -0.314 44.764 45.100 -0.037 0.000 0.890 144 G HN 0.233 nan 8.290 nan 0.000 0.572 145 S N 1.955 117.625 115.700 -0.049 0.000 2.506 145 S HA 0.317 4.787 4.470 -0.001 0.000 0.291 145 S C 1.163 175.718 174.600 -0.075 0.000 1.230 145 S CA 0.891 59.052 58.200 -0.065 0.000 1.107 145 S CB 0.571 63.723 63.200 -0.080 0.000 0.942 145 S HN 0.832 nan 8.310 nan 0.000 0.502 146 D N 2.761 123.118 120.400 -0.071 0.000 2.441 146 D HA 0.139 4.779 4.640 -0.001 0.000 0.210 146 D C 0.097 176.352 176.300 -0.076 0.000 1.102 146 D CA 0.095 54.061 54.000 -0.056 0.000 0.840 146 D CB 0.125 40.909 40.800 -0.027 0.000 0.990 146 D HN 0.384 nan 8.370 nan 0.000 0.505 147 L N 0.259 121.403 121.223 -0.132 0.000 2.409 147 L HA 0.451 4.790 4.340 -0.001 0.000 0.262 147 L C -0.947 175.796 176.870 -0.212 0.000 0.992 147 L CA -0.868 53.891 54.840 -0.136 0.000 0.817 147 L CB 2.628 44.597 42.059 -0.150 0.000 1.350 147 L HN -0.033 nan 8.230 nan 0.000 0.411 148 H N 0.275 119.285 119.070 -0.100 0.000 2.690 148 H HA 0.325 4.880 4.556 -0.001 0.000 0.368 148 H C -1.317 173.978 175.328 -0.054 0.000 1.150 148 H CA -0.891 55.115 56.048 -0.069 0.000 1.174 148 H CB 1.876 31.652 29.762 0.024 0.000 1.684 148 H HN 0.478 nan 8.280 nan 0.000 0.538 149 W N 2.137 123.598 121.300 0.268 0.000 2.181 149 W HA 0.064 4.723 4.660 -0.001 0.000 0.335 149 W C 1.083 177.684 176.519 0.137 0.000 1.310 149 W CA -0.108 57.344 57.345 0.178 0.000 1.226 149 W CB 0.407 29.952 29.460 0.142 0.000 1.155 149 W HN 0.394 nan 8.180 nan 0.000 0.565 150 H N 1.841 121.110 119.070 0.332 0.000 2.620 150 H HA 0.304 4.860 4.556 -0.001 0.000 0.313 150 H C 0.339 175.751 175.328 0.140 0.000 1.075 150 H CA 0.395 56.550 56.048 0.178 0.000 1.397 150 H CB 0.704 30.551 29.762 0.141 0.000 1.446 150 H HN 0.624 nan 8.280 nan 0.000 0.493 151 G N 2.814 111.661 108.800 0.078 0.000 2.857 151 G HA2 0.199 4.158 3.960 -0.001 0.000 0.217 151 G HA3 0.199 4.158 3.960 -0.001 0.000 0.217 151 G C -0.769 174.244 174.900 0.188 0.000 1.357 151 G CA -0.563 44.615 45.100 0.131 0.000 1.033 151 G HN 0.631 nan 8.290 nan 0.000 0.571 152 E N -0.023 120.260 120.200 0.139 0.000 2.151 152 E HA 0.331 4.680 4.350 -0.001 0.000 0.275 152 E C -0.364 176.310 176.600 0.124 0.000 0.936 152 E CA -0.647 55.841 56.400 0.148 0.000 0.777 152 E CB 1.159 30.954 29.700 0.158 0.000 1.108 152 E HN 0.301 nan 8.360 nan 0.000 0.401 153 K N 3.348 123.819 120.400 0.118 0.000 2.484 153 K HA -0.061 4.259 4.320 -0.001 0.000 0.280 153 K C -0.360 176.296 176.600 0.093 0.000 1.013 153 K CA 0.003 56.345 56.287 0.092 0.000 1.029 153 K CB 0.438 32.990 32.500 0.086 0.000 0.902 153 K HN 0.464 nan 8.250 nan 0.000 0.481 154 D N 3.190 123.645 120.400 0.092 0.000 2.304 154 D HA 0.006 4.646 4.640 -0.001 0.000 0.247 154 D C 0.887 177.226 176.300 0.065 0.000 1.089 154 D CA -0.237 53.820 54.000 0.096 0.000 0.910 154 D CB 1.216 42.082 40.800 0.110 0.000 1.199 154 D HN 0.577 nan 8.370 nan 0.000 0.426 155 K N 2.125 122.560 120.400 0.059 0.000 2.209 155 K HA -0.149 4.171 4.320 -0.001 0.000 0.204 155 K C 0.556 177.175 176.600 0.032 0.000 1.048 155 K CA 0.998 57.311 56.287 0.042 0.000 0.940 155 K CB -0.169 32.352 32.500 0.037 0.000 0.729 155 K HN 0.175 nan 8.250 nan 0.000 0.451 156 N N 1.003 119.722 118.700 0.031 0.000 2.461 156 N HA 0.103 4.842 4.740 -0.001 0.000 0.188 156 N C -0.172 175.348 175.510 0.017 0.000 1.134 156 N CA 0.530 53.591 53.050 0.019 0.000 0.878 156 N CB 0.411 38.905 38.487 0.011 0.000 0.972 156 N HN 0.387 nan 8.380 nan 0.000 0.456 157 A N -0.039 122.795 122.820 0.024 0.000 2.351 157 A HA 0.612 4.931 4.320 -0.001 0.000 0.257 157 A C 1.016 178.612 177.584 0.021 0.000 1.087 157 A CA -0.326 51.724 52.037 0.022 0.000 0.798 157 A CB -0.034 18.985 19.000 0.031 0.000 1.033 157 A HN 0.188 nan 8.150 nan 0.000 0.488 158 G N 0.076 108.887 108.800 0.018 0.000 2.391 158 G HA2 0.284 4.244 3.960 -0.001 0.000 0.234 158 G HA3 0.284 4.244 3.960 -0.001 0.000 0.234 158 G C 0.777 175.691 174.900 0.023 0.000 1.284 158 G CA -0.145 44.966 45.100 0.018 0.000 0.873 158 G HN 0.664 nan 8.290 nan 0.000 0.549 159 I N 1.206 121.789 120.570 0.021 0.000 2.208 159 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 159 I C 2.403 178.536 176.117 0.026 0.000 1.097 159 I CA 1.108 62.422 61.300 0.023 0.000 1.363 159 I CB -0.052 37.960 38.000 0.019 0.000 1.051 159 I HN 0.432 nan 8.210 nan 0.000 0.413 160 L N -0.414 120.823 121.223 0.024 0.000 2.446 160 L HA 0.020 4.360 4.340 -0.001 0.000 0.219 160 L C 0.085 176.973 176.870 0.030 0.000 1.116 160 L CA -0.076 54.779 54.840 0.025 0.000 0.844 160 L CB -0.477 41.595 42.059 0.022 0.000 0.970 160 L HN 0.130 nan 8.230 nan 0.000 0.457 161 D N 1.400 121.817 120.400 0.029 0.000 2.443 161 D HA 0.229 4.869 4.640 -0.001 0.000 0.239 161 D C 0.459 176.784 176.300 0.041 0.000 1.136 161 D CA 0.220 54.238 54.000 0.030 0.000 0.879 161 D CB 0.937 41.752 40.800 0.024 0.000 1.195 161 D HN 0.090 nan 8.370 nan 0.000 0.443 162 A N 1.704 124.550 122.820 0.043 0.000 2.386 162 A HA 0.530 4.850 4.320 -0.001 0.000 0.246 162 A C 0.993 178.605 177.584 0.047 0.000 1.089 162 A CA 0.091 52.166 52.037 0.063 0.000 0.790 162 A CB 0.040 19.077 19.000 0.062 0.000 1.042 162 A HN 0.510 nan 8.150 nan 0.000 0.497 163 G N 0.061 108.908 108.800 0.077 0.000 2.606 163 G HA2 0.486 4.445 3.960 -0.001 0.000 0.252 163 G HA3 0.486 4.445 3.960 -0.001 0.000 0.252 163 G C -2.125 172.644 174.900 -0.219 0.000 1.206 163 G CA -0.678 44.407 45.100 -0.026 0.000 0.861 163 G HN 0.671 nan 8.290 nan 0.000 0.561 164 P HA 0.516 nan 4.420 nan 0.000 0.284 164 P C -0.253 176.872 177.300 -0.291 0.000 1.292 164 P CA -0.380 62.615 63.100 -0.176 0.000 0.800 164 P CB 1.198 32.865 31.700 -0.053 0.000 1.188 165 A N -0.453 122.213 122.820 -0.258 0.000 2.252 165 A HA 0.689 5.009 4.320 -0.001 0.000 0.305 165 A C 0.117 177.641 177.584 -0.101 0.000 1.097 165 A CA -0.142 51.708 52.037 -0.312 0.000 0.849 165 A CB 0.239 18.691 19.000 -0.915 0.000 1.142 165 A HN 0.614 nan 8.150 nan 0.000 0.499 166 T N -2.094 112.483 114.554 0.038 0.000 2.821 166 T HA 0.620 4.970 4.350 -0.001 0.000 0.306 166 T C 0.151 175.024 174.700 0.289 0.000 1.313 166 T CA 1.187 63.375 62.100 0.146 0.000 1.012 166 T CB 0.759 69.697 68.868 0.117 0.000 1.298 166 T HN 2.742 nan 8.240 nan 0.000 0.502 167 G N 1.171 110.122 108.800 0.251 0.000 2.593 167 G HA2 0.300 4.259 3.960 -0.001 0.000 0.237 167 G HA3 0.300 4.259 3.960 -0.001 0.000 0.237 167 G C 0.199 175.319 174.900 0.366 0.000 1.312 167 G CA 0.028 45.326 45.100 0.329 0.000 0.896 167 G HN 1.829 nan 8.290 nan 0.000 0.574 168 A N -1.903 121.170 122.820 0.422 0.000 2.843 168 A HA 0.631 4.950 4.320 -0.001 0.000 0.248 168 A C 1.289 179.033 177.584 0.266 0.000 0.904 168 A CA 1.006 53.208 52.037 0.276 0.000 1.091 168 A CB 0.289 19.355 19.000 0.110 0.000 1.208 168 A HN 1.686 nan 8.150 nan 0.000 0.476 169 L N 0.472 121.787 121.223 0.153 0.000 2.141 169 L HA 0.080 4.420 4.340 -0.001 0.000 0.209 169 L C -1.014 175.829 176.870 -0.044 0.000 1.094 169 L CA 2.171 56.932 54.840 -0.131 0.000 0.763 169 L CB -0.671 40.936 42.059 -0.753 0.000 0.908 169 L HN 0.235 nan 8.230 nan 0.000 0.437 170 P HA -0.197 nan 4.420 nan 0.000 0.226 170 P C 0.327 177.709 177.300 0.136 0.000 1.146 170 P CA 0.837 63.914 63.100 -0.037 0.000 0.773 170 P CB -0.255 31.360 31.700 -0.142 0.000 0.772 171 F N 1.450 121.431 119.950 0.050 0.000 2.677 171 F HA 0.194 4.720 4.527 -0.001 0.000 0.358 171 F C 0.146 176.044 175.800 0.163 0.000 1.266 171 F CA -0.394 57.679 58.000 0.122 0.000 1.262 171 F CB -0.963 38.093 39.000 0.094 0.000 1.684 171 F HN -0.193 nan 8.300 nan 0.000 0.671 172 D N 4.289 124.691 120.400 0.003 0.000 2.964 172 D HA 0.528 5.168 4.640 -0.001 0.000 0.234 172 D C -1.395 174.798 176.300 -0.179 0.000 1.223 172 D CA -0.347 53.639 54.000 -0.024 0.000 0.889 172 D CB 1.470 42.301 40.800 0.051 0.000 1.609 172 D HN 0.360 nan 8.370 nan 0.000 0.523 173 I N 1.545 121.890 120.570 -0.376 0.000 2.882 173 I HA 0.608 4.778 4.170 -0.001 0.000 0.298 173 I C -1.087 174.434 176.117 -0.994 0.000 1.462 173 I CA -0.795 60.160 61.300 -0.575 0.000 1.000 173 I CB 1.882 39.374 38.000 -0.847 0.000 1.340 173 I HN 0.567 nan 8.210 nan 0.000 0.462 174 A N 7.207 129.432 122.820 -0.992 0.000 2.425 174 A HA 0.607 4.927 4.320 -0.001 0.000 0.249 174 A C -2.584 174.584 177.584 -0.692 0.000 1.084 174 A CA -0.902 50.351 52.037 -1.306 0.000 0.781 174 A CB -0.333 17.903 19.000 -1.272 0.000 1.019 174 A HN 0.359 nan 8.150 nan 0.000 0.490 175 P HA 0.412 nan 4.420 nan 0.000 0.279 175 P C -1.083 176.083 177.300 -0.224 0.000 1.252 175 P CA -0.148 62.735 63.100 -0.362 0.000 0.811 175 P CB 0.740 32.255 31.700 -0.308 0.000 1.035 176 F N 0.754 120.491 119.950 -0.356 0.000 2.771 176 F HA 0.325 4.851 4.527 -0.001 0.000 0.365 176 F C -1.007 174.730 175.800 -0.106 0.000 1.169 176 F CA -0.024 57.901 58.000 -0.124 0.000 1.093 176 F CB 1.015 40.065 39.000 0.082 0.000 1.363 176 F HN 0.070 nan 8.300 nan 0.000 0.496 177 T N 6.664 120.962 114.554 -0.427 0.000 2.864 177 T HA 0.585 4.934 4.350 -0.001 0.000 0.299 177 T C -0.961 173.694 174.700 -0.076 0.000 1.011 177 T CA -0.426 61.538 62.100 -0.226 0.000 0.975 177 T CB 0.611 69.267 68.868 -0.353 0.000 0.962 177 T HN 0.428 nan 8.240 nan 0.000 0.448 178 F N 0.784 120.756 119.950 0.036 0.000 2.662 178 F HA 0.830 5.356 4.527 -0.001 0.000 0.312 178 F C -1.688 174.221 175.800 0.182 0.000 1.113 178 F CA -1.721 56.382 58.000 0.172 0.000 0.951 178 F CB 1.213 40.263 39.000 0.083 0.000 1.344 178 F HN 0.280 nan 8.300 nan 0.000 0.462 179 I N 2.975 123.744 120.570 0.331 0.000 2.377 179 I HA 0.529 4.698 4.170 -0.001 0.000 0.293 179 I C -0.994 175.231 176.117 0.181 0.000 0.987 179 I CA -1.320 60.063 61.300 0.138 0.000 1.185 179 I CB 1.862 39.992 38.000 0.215 0.000 1.341 179 I HN 0.616 nan 8.210 nan 0.000 0.455 180 V N 6.175 126.152 119.914 0.105 0.000 2.459 180 V HA 0.367 4.487 4.120 -0.001 0.000 0.295 180 V C -0.710 175.510 176.094 0.211 0.000 1.029 180 V CA -0.413 62.016 62.300 0.215 0.000 0.874 180 V CB 2.015 33.993 31.823 0.259 0.000 0.985 180 V HN 0.869 nan 8.190 nan 0.000 0.438 181 D N 3.059 123.578 120.400 0.199 0.000 2.423 181 D HA 0.205 4.844 4.640 -0.001 0.000 0.255 181 D C 1.106 177.546 176.300 0.233 0.000 1.174 181 D CA 0.330 54.437 54.000 0.178 0.000 1.008 181 D CB 0.918 41.796 40.800 0.130 0.000 1.101 181 D HN 0.599 nan 8.370 nan 0.000 0.516 182 T N -3.276 111.410 114.554 0.220 0.000 3.163 182 T HA -0.034 4.315 4.350 -0.001 0.000 0.260 182 T C 0.688 175.496 174.700 0.180 0.000 1.156 182 T CA 0.321 62.557 62.100 0.227 0.000 1.072 182 T CB -0.229 68.773 68.868 0.224 0.000 0.937 182 T HN 0.356 nan 8.240 nan 0.000 0.528 183 E N 0.767 121.072 120.200 0.174 0.000 2.474 183 E HA 0.254 4.603 4.350 -0.001 0.000 0.195 183 E C 1.643 178.342 176.600 0.165 0.000 1.039 183 E CA 0.417 56.910 56.400 0.154 0.000 0.881 183 E CB 0.063 29.851 29.700 0.146 0.000 0.970 183 E HN 0.688 nan 8.360 nan 0.000 0.486 184 G N 1.766 110.684 108.800 0.197 0.000 2.148 184 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 184 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 184 G C 0.087 175.152 174.900 0.276 0.000 0.981 184 G CA 0.101 45.335 45.100 0.224 0.000 0.670 184 G HN 0.145 nan 8.290 nan 0.000 0.528 185 E N -0.217 120.146 120.200 0.272 0.000 2.283 185 E HA 0.377 4.726 4.350 -0.001 0.000 0.278 185 E C -0.190 176.644 176.600 0.389 0.000 1.027 185 E CA -0.689 55.904 56.400 0.322 0.000 0.843 185 E CB 0.545 30.447 29.700 0.337 0.000 1.062 185 E HN 0.245 nan 8.360 nan 0.000 0.401 186 Y N 2.199 122.595 120.300 0.160 0.000 2.496 186 Y HA 0.023 4.573 4.550 -0.001 0.000 0.334 186 Y C 1.476 177.431 175.900 0.091 0.000 1.080 186 Y CA 0.123 58.341 58.100 0.197 0.000 1.355 186 Y CB 0.405 38.920 38.460 0.092 0.000 1.193 186 Y HN 0.211 nan 8.280 nan 0.000 0.523 187 R N 1.868 122.488 120.500 0.201 0.000 2.476 187 R HA 0.092 4.431 4.340 -0.001 0.000 0.276 187 R C -1.077 175.248 176.300 0.043 0.000 0.941 187 R CA -0.129 55.949 56.100 -0.037 0.000 1.088 187 R CB 0.324 30.530 30.300 -0.156 0.000 1.216 187 R HN 0.775 nan 8.270 nan 0.000 0.533 188 W N 0.026 121.351 121.300 0.042 0.000 3.275 188 W HA 0.401 5.060 4.660 -0.001 0.000 0.306 188 W C -1.984 174.729 176.519 0.323 0.000 1.259 188 W CA -1.254 56.154 57.345 0.106 0.000 1.194 188 W CB 1.026 30.564 29.460 0.131 0.000 1.375 188 W HN -0.070 nan 8.180 nan 0.000 0.564 189 W N 8.172 129.103 121.300 -0.615 0.000 3.211 189 W HA 0.499 5.158 4.660 -0.001 0.000 0.335 189 W C -2.088 173.741 176.519 -1.149 0.000 1.113 189 W CA -1.031 55.943 57.345 -0.618 0.000 1.235 189 W CB 1.593 30.861 29.460 -0.319 0.000 1.365 189 W HN 0.311 nan 8.180 nan 0.000 0.476 190 L N 6.820 127.086 121.223 -1.595 0.000 2.255 190 L HA 0.238 4.577 4.340 -0.001 0.000 0.289 190 L C 0.446 176.546 176.870 -1.284 0.000 1.046 190 L CA 0.183 54.218 54.840 -1.342 0.000 0.816 190 L CB 0.316 41.783 42.059 -0.988 0.000 1.197 190 L HN 0.326 nan 8.230 nan 0.000 0.427 191 D N 3.092 123.003 120.400 -0.816 0.000 2.648 191 D HA -0.130 4.510 4.640 -0.001 0.000 0.229 191 D C 0.869 176.906 176.300 -0.439 0.000 1.119 191 D CA 0.688 54.417 54.000 -0.451 0.000 0.850 191 D CB 0.922 41.581 40.800 -0.234 0.000 1.169 191 D HN 0.682 nan 8.370 nan 0.000 0.489 192 Q N 2.064 121.714 119.800 -0.249 0.000 2.226 192 Q HA -0.152 4.187 4.340 -0.001 0.000 0.204 192 Q C 0.766 176.756 176.000 -0.017 0.000 0.975 192 Q CA 1.099 56.830 55.803 -0.120 0.000 0.866 192 Q CB 0.214 29.033 28.738 0.134 0.000 0.915 192 Q HN 0.514 nan 8.270 nan 0.000 0.440 193 D N -0.461 119.915 120.400 -0.040 0.000 2.363 193 D HA -0.049 4.590 4.640 -0.001 0.000 0.220 193 D C 1.424 177.627 176.300 -0.162 0.000 0.994 193 D CA 0.604 54.580 54.000 -0.040 0.000 0.890 193 D CB -0.053 40.724 40.800 -0.038 0.000 0.906 193 D HN 0.157 nan 8.370 nan 0.000 0.530 194 T N 0.205 114.562 114.554 -0.329 0.000 2.607 194 T HA -0.174 4.175 4.350 -0.001 0.000 0.267 194 T C 1.295 175.612 174.700 -0.638 0.000 1.049 194 T CA 1.198 62.929 62.100 -0.615 0.000 1.162 194 T CB -0.216 68.056 68.868 -0.994 0.000 0.863 194 T HN 0.164 nan 8.240 nan 0.000 0.424 195 F N -1.549 118.258 119.950 -0.238 0.000 2.727 195 F HA 0.435 4.961 4.527 -0.001 0.000 0.302 195 F C 0.282 176.038 175.800 -0.074 0.000 1.107 195 F CA -1.333 56.503 58.000 -0.273 0.000 1.277 195 F CB 0.158 38.872 39.000 -0.476 0.000 1.079 195 F HN 0.099 nan 8.300 nan 0.000 0.594 196 Y N 0.581 120.880 120.300 -0.002 0.000 2.446 196 Y HA 0.538 5.087 4.550 -0.001 0.000 0.345 196 Y C -1.276 174.649 175.900 0.041 0.000 0.984 196 Y CA -1.513 56.591 58.100 0.007 0.000 1.058 196 Y CB 1.383 39.817 38.460 -0.043 0.000 1.220 196 Y HN -0.142 nan 8.280 nan 0.000 0.455 197 D N 3.031 123.109 120.400 -0.537 0.000 2.336 197 D HA 0.253 4.893 4.640 -0.001 0.000 0.248 197 D C 0.353 176.392 176.300 -0.436 0.000 1.326 197 D CA -0.015 53.836 54.000 -0.249 0.000 0.973 197 D CB 1.133 41.855 40.800 -0.129 0.000 1.255 197 D HN 0.862 nan 8.370 nan 0.000 0.558 198 G N 2.279 110.991 108.800 -0.147 0.000 2.712 198 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.212 198 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.212 198 G C 1.368 176.334 174.900 0.110 0.000 1.142 198 G CA 0.125 45.225 45.100 -0.001 0.000 0.789 198 G HN 0.362 nan 8.290 nan 0.000 0.535 199 R N -0.475 120.093 120.500 0.113 0.000 2.140 199 R HA 0.113 4.452 4.340 -0.001 0.000 0.213 199 R C 0.302 176.604 176.300 0.003 0.000 1.059 199 R CA 0.041 56.176 56.100 0.058 0.000 1.000 199 R CB 0.091 30.413 30.300 0.038 0.000 0.910 199 R HN 0.193 nan 8.270 nan 0.000 0.455 200 D N 0.194 120.579 120.400 -0.025 0.000 2.354 200 D HA 0.081 4.721 4.640 -0.001 0.000 0.247 200 D C -0.154 176.115 176.300 -0.052 0.000 1.138 200 D CA 0.007 53.986 54.000 -0.036 0.000 0.958 200 D CB 0.900 41.674 40.800 -0.043 0.000 1.144 200 D HN -0.194 nan 8.370 nan 0.000 0.458 201 R N 0.959 121.437 120.500 -0.038 0.000 2.935 201 R HA 0.185 4.525 4.340 -0.001 0.000 0.354 201 R C -0.781 175.499 176.300 -0.034 0.000 1.206 201 R CA -0.364 55.712 56.100 -0.040 0.000 1.082 201 R CB 0.271 30.556 30.300 -0.024 0.000 1.431 201 R HN 0.168 nan 8.270 nan 0.000 0.582 202 D N 0.398 120.773 120.400 -0.042 0.000 2.396 202 D HA 0.098 4.737 4.640 -0.001 0.000 0.225 202 D C 0.953 177.234 176.300 -0.031 0.000 1.121 202 D CA -0.320 53.667 54.000 -0.022 0.000 0.853 202 D CB 0.697 41.487 40.800 -0.017 0.000 1.043 202 D HN 0.158 nan 8.370 nan 0.000 0.500 203 I N 2.974 123.541 120.570 -0.004 0.000 2.700 203 I HA -0.226 3.943 4.170 -0.001 0.000 0.261 203 I C 1.805 177.965 176.117 0.072 0.000 1.219 203 I CA 0.323 61.628 61.300 0.008 0.000 1.463 203 I CB -0.137 37.862 38.000 -0.000 0.000 1.092 203 I HN 0.412 nan 8.210 nan 0.000 0.452 204 N N 1.331 120.079 118.700 0.080 0.000 2.364 204 N HA -0.136 4.603 4.740 -0.001 0.000 0.183 204 N C 0.936 176.374 175.510 -0.120 0.000 1.022 204 N CA 1.129 54.205 53.050 0.043 0.000 0.883 204 N CB -0.022 38.504 38.487 0.066 0.000 0.965 204 N HN 0.448 nan 8.380 nan 0.000 0.438 205 K N 0.403 120.760 120.400 -0.071 0.000 2.699 205 K HA 0.228 4.548 4.320 -0.001 0.000 0.210 205 K C -0.110 176.377 176.600 -0.190 0.000 1.076 205 K CA -0.238 55.989 56.287 -0.100 0.000 1.109 205 K CB 0.783 33.204 32.500 -0.131 0.000 0.862 205 K HN -0.085 nan 8.250 nan 0.000 0.470 206 R N -0.109 120.355 120.500 -0.061 0.000 2.892 206 R HA 0.677 5.016 4.340 -0.001 0.000 0.265 206 R C 0.336 176.751 176.300 0.192 0.000 1.025 206 R CA -0.506 55.589 56.100 -0.009 0.000 0.982 206 R CB 1.764 32.037 30.300 -0.045 0.000 1.185 206 R HN 0.331 nan 8.270 nan 0.000 0.484 207 G N -0.008 108.954 108.800 0.270 0.000 2.250 207 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.252 207 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.252 207 G C -1.941 173.056 174.900 0.162 0.000 1.325 207 G CA -0.741 44.499 45.100 0.234 0.000 1.091 207 G HN 0.446 nan 8.290 nan 0.000 0.476 208 Y N 0.090 120.368 120.300 -0.038 0.000 2.373 208 Y HA 0.581 5.131 4.550 -0.001 0.000 0.327 208 Y C -0.038 175.781 175.900 -0.134 0.000 1.036 208 Y CA -1.035 56.908 58.100 -0.262 0.000 1.265 208 Y CB 1.307 39.421 38.460 -0.578 0.000 1.108 208 Y HN 0.696 nan 8.280 nan 0.000 0.471 209 L N 6.916 128.279 121.223 0.233 0.000 2.500 209 L HA 0.332 4.671 4.340 -0.001 0.000 0.272 209 L C -1.092 175.990 176.870 0.353 0.000 1.149 209 L CA 1.105 56.101 54.840 0.261 0.000 0.897 209 L CB -0.228 41.933 42.059 0.170 0.000 1.178 209 L HN 0.753 nan 8.230 nan 0.000 0.473 210 M N 3.105 122.830 119.600 0.208 0.000 2.843 210 M HA 0.475 4.954 4.480 -0.001 0.000 0.273 210 M C 0.780 177.219 176.300 0.231 0.000 1.286 210 M CA -0.397 54.996 55.300 0.156 0.000 0.807 210 M CB 1.883 34.327 32.600 -0.260 0.000 1.684 210 M HN 0.495 nan 8.290 nan 0.000 0.458 211 G N 1.584 110.587 108.800 0.340 0.000 2.295 211 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.287 211 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.287 211 G C -0.348 174.714 174.900 0.270 0.000 1.055 211 G CA -0.152 45.135 45.100 0.310 0.000 0.922 211 G HN 0.590 nan 8.290 nan 0.000 0.503 212 I N 0.981 121.727 120.570 0.293 0.000 2.494 212 I HA 0.232 4.401 4.170 -0.001 0.000 0.289 212 I C 0.650 176.901 176.117 0.223 0.000 1.106 212 I CA 0.110 61.572 61.300 0.271 0.000 1.369 212 I CB 0.194 38.343 38.000 0.248 0.000 1.410 212 I HN 0.073 nan 8.210 nan 0.000 0.523 213 R N 5.299 125.917 120.500 0.197 0.000 2.673 213 R HA 0.369 4.709 4.340 -0.001 0.000 0.281 213 R C -0.638 175.661 176.300 -0.003 0.000 0.991 213 R CA -0.954 55.198 56.100 0.087 0.000 0.896 213 R CB 1.899 32.168 30.300 -0.051 0.000 1.201 213 R HN 0.554 nan 8.270 nan 0.000 0.457 214 E N 1.233 121.326 120.200 -0.177 0.000 2.383 214 E HA 0.102 4.452 4.350 -0.001 0.000 0.264 214 E C -0.252 176.077 176.600 -0.451 0.000 1.050 214 E CA -0.013 56.015 56.400 -0.620 0.000 0.896 214 E CB 0.887 30.235 29.700 -0.587 0.000 0.982 214 E HN 0.595 nan 8.360 nan 0.000 0.424 215 T N 0.444 114.689 114.554 -0.514 0.000 2.948 215 T HA 0.353 4.703 4.350 -0.001 0.000 0.285 215 T C -1.991 172.531 174.700 -0.298 0.000 1.019 215 T CA -1.731 60.176 62.100 -0.322 0.000 1.013 215 T CB 1.299 70.015 68.868 -0.254 0.000 1.117 215 T HN 0.246 nan 8.240 nan 0.000 0.533 216 P HA 0.066 nan 4.420 nan 0.000 0.226 216 P C 0.919 178.111 177.300 -0.181 0.000 1.146 216 P CA 0.670 63.663 63.100 -0.177 0.000 0.773 216 P CB 0.044 31.668 31.700 -0.127 0.000 0.772 217 R N -1.875 118.503 120.500 -0.204 0.000 2.334 217 R HA 0.300 4.639 4.340 -0.001 0.000 0.216 217 R C 1.263 177.414 176.300 -0.249 0.000 0.905 217 R CA 0.593 56.582 56.100 -0.186 0.000 1.064 217 R CB -0.209 30.005 30.300 -0.144 0.000 1.046 217 R HN 0.106 nan 8.270 nan 0.000 0.508 218 G N 1.400 109.982 108.800 -0.363 0.000 2.159 218 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.256 218 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.256 218 G C 0.380 174.886 174.900 -0.657 0.000 0.977 218 G CA 0.682 45.486 45.100 -0.492 0.000 0.652 218 G HN 0.460 nan 8.290 nan 0.000 0.531 219 T N -1.946 112.246 114.554 -0.603 0.000 2.910 219 T HA 0.804 5.153 4.350 -0.001 0.000 0.279 219 T C -0.203 173.950 174.700 -0.911 0.000 0.989 219 T CA -0.814 60.965 62.100 -0.536 0.000 0.968 219 T CB 1.907 70.632 68.868 -0.238 0.000 1.135 219 T HN 0.470 nan 8.240 nan 0.000 0.562 220 F N 0.212 119.843 119.950 -0.531 0.000 2.565 220 F HA 0.545 5.072 4.527 -0.001 0.000 0.313 220 F C 0.840 176.419 175.800 -0.367 0.000 1.091 220 F CA -0.987 56.681 58.000 -0.555 0.000 0.915 220 F CB 2.403 40.871 39.000 -0.887 0.000 1.208 220 F HN 0.902 nan 8.300 nan 0.000 0.453 221 T N -0.033 114.542 114.554 0.034 0.000 2.918 221 T HA 0.921 5.271 4.350 -0.001 0.000 0.283 221 T C -0.442 174.428 174.700 0.284 0.000 1.001 221 T CA -0.522 61.698 62.100 0.201 0.000 1.041 221 T CB 1.843 70.810 68.868 0.165 0.000 1.028 221 T HN 1.006 nan 8.240 nan 0.000 0.511 222 A N 0.742 123.788 122.820 0.377 0.000 2.599 222 A HA 0.759 5.078 4.320 -0.001 0.000 0.290 222 A C -0.627 177.170 177.584 0.355 0.000 1.101 222 A CA -0.529 51.716 52.037 0.347 0.000 0.674 222 A CB 1.239 20.472 19.000 0.389 0.000 1.277 222 A HN 1.911 nan 8.150 nan 0.000 0.419 223 V N -1.621 118.462 119.914 0.282 0.000 2.769 223 V HA 0.898 5.018 4.120 -0.001 0.000 0.312 223 V C -0.628 175.626 176.094 0.267 0.000 1.061 223 V CA -0.477 61.992 62.300 0.282 0.000 0.931 223 V CB 1.570 33.515 31.823 0.204 0.000 1.010 223 V HN 1.115 nan 8.190 nan 0.000 0.433 224 Q N 2.185 122.180 119.800 0.324 0.000 2.526 224 Q HA 0.518 4.858 4.340 -0.001 0.000 0.238 224 Q C 0.414 176.607 176.000 0.321 0.000 0.866 224 Q CA 0.442 56.427 55.803 0.302 0.000 0.801 224 Q CB 1.225 30.138 28.738 0.293 0.000 1.380 224 Q HN 1.940 nan 8.270 nan 0.000 0.446 225 G N 3.004 111.975 108.800 0.285 0.000 2.889 225 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.308 225 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.308 225 G C 0.312 175.401 174.900 0.316 0.000 1.248 225 G CA 0.624 45.902 45.100 0.296 0.000 0.982 225 G HN 0.572 nan 8.290 nan 0.000 0.571 226 Q N 1.932 121.951 119.800 0.365 0.000 2.198 226 Q HA 0.291 4.630 4.340 -0.001 0.000 0.209 226 Q C 0.538 176.665 176.000 0.211 0.000 0.848 226 Q CA 0.439 56.437 55.803 0.326 0.000 0.974 226 Q CB 0.491 29.445 28.738 0.361 0.000 1.115 226 Q HN 0.825 nan 8.270 nan 0.000 0.494 227 H N -0.234 118.883 119.070 0.078 0.000 2.797 227 H HA 0.421 4.977 4.556 -0.001 0.000 0.372 227 H C -0.641 174.601 175.328 -0.143 0.000 1.168 227 H CA -0.844 55.114 56.048 -0.150 0.000 1.163 227 H CB 2.185 31.680 29.762 -0.444 0.000 1.778 227 H HN 0.137 nan 8.280 nan 0.000 0.551 228 W N 1.757 122.868 121.300 -0.315 0.000 2.761 228 W HA 0.548 5.207 4.660 -0.001 0.000 0.340 228 W C -2.252 174.029 176.519 -0.396 0.000 1.072 228 W CA -0.965 56.235 57.345 -0.242 0.000 1.215 228 W CB 0.556 29.991 29.460 -0.041 0.000 1.420 228 W HN 0.503 nan 8.180 nan 0.000 0.519 229 Y N 0.594 121.059 120.300 0.275 0.000 2.638 229 Y HA 0.456 5.006 4.550 -0.001 0.000 0.339 229 Y C -0.517 175.562 175.900 0.299 0.000 1.084 229 Y CA -1.278 56.887 58.100 0.108 0.000 1.068 229 Y CB 2.412 40.788 38.460 -0.140 0.000 1.294 229 Y HN 0.506 nan 8.280 nan 0.000 0.480 230 E N 1.794 122.263 120.200 0.449 0.000 2.275 230 E HA 0.567 4.917 4.350 -0.001 0.000 0.270 230 E C -1.965 174.900 176.600 0.441 0.000 0.882 230 E CA -0.649 55.967 56.400 0.360 0.000 0.758 230 E CB 1.656 31.498 29.700 0.235 0.000 1.195 230 E HN 0.493 nan 8.360 nan 0.000 0.419 231 F N 1.372 121.497 119.950 0.291 0.000 2.643 231 F HA 0.655 5.181 4.527 -0.001 0.000 0.314 231 F C -1.072 174.877 175.800 0.247 0.000 1.096 231 F CA -1.024 57.137 58.000 0.268 0.000 0.953 231 F CB 1.104 40.314 39.000 0.349 0.000 1.345 231 F HN 0.292 nan 8.300 nan 0.000 0.468 232 D N 0.968 121.577 120.400 0.349 0.000 2.467 232 D HA 0.286 4.925 4.640 -0.001 0.000 0.245 232 D C 0.546 177.072 176.300 0.376 0.000 1.038 232 D CA -0.859 53.288 54.000 0.244 0.000 1.038 232 D CB 0.969 41.903 40.800 0.224 0.000 1.278 232 D HN 0.544 nan 8.370 nan 0.000 0.564 233 M N -0.253 119.466 119.600 0.198 0.000 2.630 233 M HA 0.026 4.506 4.480 -0.001 0.000 0.254 233 M C 1.019 177.665 176.300 0.576 0.000 1.092 233 M CA 0.672 56.069 55.300 0.162 0.000 1.087 233 M CB -0.523 31.815 32.600 -0.438 0.000 1.453 233 M HN 0.424 nan 8.290 nan 0.000 0.509 234 M N -0.808 119.094 119.600 0.503 0.000 2.561 234 M HA 0.175 4.654 4.480 -0.001 0.000 0.238 234 M C 1.164 177.697 176.300 0.388 0.000 1.131 234 M CA 0.428 55.963 55.300 0.392 0.000 1.046 234 M CB -0.876 31.810 32.600 0.144 0.000 1.532 234 M HN 0.467 nan 8.290 nan 0.000 0.497 235 G N 1.516 110.566 108.800 0.417 0.000 2.147 235 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.244 235 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.244 235 G C 0.086 175.027 174.900 0.069 0.000 1.005 235 G CA 0.252 45.503 45.100 0.252 0.000 0.713 235 G HN 0.553 nan 8.290 nan 0.000 0.515 236 Q N 0.445 120.215 119.800 -0.050 0.000 2.314 236 Q HA 0.485 4.824 4.340 -0.001 0.000 0.257 236 Q C 0.296 176.294 176.000 -0.005 0.000 0.975 236 Q CA -0.595 54.998 55.803 -0.350 0.000 0.933 236 Q CB 0.976 29.257 28.738 -0.762 0.000 1.195 236 Q HN 0.196 nan 8.270 nan 0.000 0.426 237 V N 7.540 127.464 119.914 0.017 0.000 2.381 237 V HA -0.041 4.078 4.120 -0.001 0.000 0.257 237 V C 1.116 177.289 176.094 0.132 0.000 1.057 237 V CA 0.418 62.820 62.300 0.170 0.000 1.013 237 V CB 0.132 32.050 31.823 0.159 0.000 1.069 237 V HN 0.889 nan 8.190 nan 0.000 0.484 238 L N 3.338 124.659 121.223 0.163 0.000 2.202 238 L HA 0.235 4.575 4.340 -0.001 0.000 0.205 238 L C 0.893 177.798 176.870 0.058 0.000 1.083 238 L CA 0.954 55.848 54.840 0.090 0.000 0.790 238 L CB 0.079 42.188 42.059 0.084 0.000 0.942 238 L HN 0.581 nan 8.230 nan 0.000 0.452 239 E N -0.416 119.830 120.200 0.077 0.000 2.288 239 E HA 0.359 4.708 4.350 -0.001 0.000 0.268 239 E C -1.262 175.277 176.600 -0.101 0.000 0.885 239 E CA -0.563 55.773 56.400 -0.107 0.000 0.767 239 E CB 2.494 32.114 29.700 -0.134 0.000 1.220 239 E HN -0.151 nan 8.360 nan 0.000 0.427 240 D N 1.437 121.594 120.400 -0.406 0.000 2.478 240 D HA 0.156 4.796 4.640 -0.001 0.000 0.240 240 D C -1.528 174.358 176.300 -0.690 0.000 1.364 240 D CA -0.392 53.396 54.000 -0.353 0.000 0.987 240 D CB 0.488 41.337 40.800 0.081 0.000 1.328 240 D HN 0.410 nan 8.370 nan 0.000 0.584 241 H N 2.303 120.952 119.070 -0.702 0.000 2.489 241 H HA 0.343 4.899 4.556 -0.001 0.000 0.343 241 H C 0.133 175.115 175.328 -0.577 0.000 1.086 241 H CA -0.488 55.148 56.048 -0.686 0.000 1.198 241 H CB 1.774 30.836 29.762 -1.166 0.000 1.490 241 H HN 0.187 nan 8.280 nan 0.000 0.504 242 K N 2.445 122.633 120.400 -0.353 0.000 2.355 242 K HA 0.170 4.489 4.320 -0.001 0.000 0.270 242 K C 0.412 176.955 176.600 -0.095 0.000 1.003 242 K CA -0.370 55.652 56.287 -0.442 0.000 0.957 242 K CB 0.995 33.305 32.500 -0.316 0.000 0.939 242 K HN 0.312 nan 8.250 nan 0.000 0.482 243 L N 3.771 124.982 121.223 -0.020 0.000 2.461 243 L HA 0.092 4.432 4.340 -0.001 0.000 0.272 243 L C -1.839 175.109 176.870 0.131 0.000 1.197 243 L CA -1.868 53.059 54.840 0.145 0.000 0.836 243 L CB -0.049 42.111 42.059 0.168 0.000 1.105 243 L HN 0.401 nan 8.230 nan 0.000 0.477 244 P HA -0.039 nan 4.420 nan 0.000 0.267 244 P C 0.134 177.540 177.300 0.176 0.000 1.201 244 P CA -0.157 63.057 63.100 0.190 0.000 0.775 244 P CB 0.362 32.217 31.700 0.259 0.000 0.854 245 R N 1.524 122.070 120.500 0.077 0.000 2.193 245 R HA -0.051 4.288 4.340 -0.001 0.000 0.229 245 R C 1.747 177.984 176.300 -0.105 0.000 1.110 245 R CA 1.717 57.812 56.100 -0.009 0.000 0.988 245 R CB -1.302 28.982 30.300 -0.026 0.000 0.871 245 R HN 0.537 nan 8.270 nan 0.000 0.458 246 G N 0.009 108.705 108.800 -0.174 0.000 2.744 246 G HA2 0.057 4.016 3.960 -0.001 0.000 0.211 246 G HA3 0.057 4.016 3.960 -0.001 0.000 0.211 246 G C -0.173 174.174 174.900 -0.921 0.000 1.143 246 G CA -0.064 44.684 45.100 -0.587 0.000 0.788 246 G HN 0.195 nan 8.290 nan 0.000 0.534 247 F N -0.632 119.270 119.950 -0.080 0.000 2.593 247 F HA 0.783 5.309 4.527 -0.001 0.000 0.320 247 F C 0.260 176.013 175.800 -0.079 0.000 1.060 247 F CA -1.012 56.936 58.000 -0.086 0.000 0.940 247 F CB 2.235 41.213 39.000 -0.037 0.000 1.268 247 F HN 0.084 nan 8.300 nan 0.000 0.475 248 A N 0.109 123.006 122.820 0.128 0.000 2.593 248 A HA 0.687 5.006 4.320 -0.001 0.000 0.290 248 A C -1.580 176.112 177.584 0.180 0.000 1.126 248 A CA -0.877 51.219 52.037 0.100 0.000 0.695 248 A CB 0.879 19.794 19.000 -0.141 0.000 1.290 248 A HN 0.781 nan 8.150 nan 0.000 0.414 249 D N -0.739 119.831 120.400 0.282 0.000 2.927 249 D HA -0.084 4.556 4.640 -0.001 0.000 0.236 249 D C 0.130 176.536 176.300 0.177 0.000 1.163 249 D CA 1.508 55.672 54.000 0.272 0.000 0.801 249 D CB -1.260 39.695 40.800 0.259 0.000 0.975 249 D HN 1.264 nan 8.370 nan 0.000 0.413 250 A N 1.348 124.280 122.820 0.186 0.000 2.354 250 A HA 0.622 4.941 4.320 -0.001 0.000 0.281 250 A C 0.969 178.634 177.584 0.135 0.000 1.174 250 A CA 0.469 52.589 52.037 0.139 0.000 0.828 250 A CB 0.681 19.770 19.000 0.148 0.000 1.099 250 A HN 0.409 nan 8.150 nan 0.000 0.516 251 T N -0.759 113.852 114.554 0.094 0.000 2.865 251 T HA 0.641 4.990 4.350 -0.001 0.000 0.294 251 T C 0.375 175.118 174.700 0.072 0.000 1.119 251 T CA 0.078 62.202 62.100 0.041 0.000 1.007 251 T CB 0.911 69.786 68.868 0.010 0.000 1.225 251 T HN 0.959 nan 8.240 nan 0.000 0.515 252 H N -1.416 117.584 119.070 -0.118 0.000 4.880 252 H HA -0.127 4.429 4.556 -0.001 0.000 0.084 252 H C 0.044 175.477 175.328 0.176 0.000 0.577 252 H CA 2.300 58.318 56.048 -0.051 0.000 1.124 252 H CB -1.030 28.727 29.762 -0.007 0.000 0.507 252 H HN 0.928 nan 8.280 nan 0.000 0.707 253 E N -0.043 120.292 120.200 0.226 0.000 2.390 253 E HA 0.605 4.954 4.350 -0.001 0.000 0.280 253 E C -1.408 175.255 176.600 0.106 0.000 0.992 253 E CA -0.102 56.425 56.400 0.212 0.000 0.790 253 E CB 1.847 31.672 29.700 0.208 0.000 1.248 253 E HN 0.341 nan 8.360 nan 0.000 0.447 254 S N 2.888 118.635 115.700 0.079 0.000 2.566 254 S HA 0.743 5.213 4.470 -0.001 0.000 0.273 254 S C -1.555 173.016 174.600 -0.049 0.000 1.157 254 S CA -0.816 57.375 58.200 -0.015 0.000 0.938 254 S CB 1.074 64.291 63.200 0.029 0.000 1.087 254 S HN 0.570 nan 8.310 nan 0.000 0.474 255 I N 1.555 122.051 120.570 -0.124 0.000 2.610 255 I HA 0.490 4.660 4.170 -0.001 0.000 0.289 255 I C -0.581 175.426 176.117 -0.184 0.000 1.163 255 I CA -0.463 60.746 61.300 -0.151 0.000 1.044 255 I CB 2.012 39.908 38.000 -0.173 0.000 1.251 255 I HN 0.974 nan 8.210 nan 0.000 0.424 256 E N 4.718 124.814 120.200 -0.173 0.000 2.338 256 E HA 0.407 4.757 4.350 -0.001 0.000 0.272 256 E C -0.389 176.103 176.600 -0.179 0.000 1.029 256 E CA -0.246 56.049 56.400 -0.176 0.000 0.872 256 E CB 0.755 30.372 29.700 -0.139 0.000 1.015 256 E HN 0.705 nan 8.360 nan 0.000 0.417 257 T N 1.003 115.427 114.554 -0.216 0.000 2.897 257 T HA 0.337 4.686 4.350 -0.001 0.000 0.278 257 T C -1.857 172.751 174.700 -0.152 0.000 0.981 257 T CA -1.619 60.338 62.100 -0.239 0.000 0.973 257 T CB 1.185 69.736 68.868 -0.529 0.000 1.092 257 T HN 0.282 nan 8.240 nan 0.000 0.543 258 P HA 0.040 nan 4.420 nan 0.000 0.225 258 P C 0.750 178.013 177.300 -0.061 0.000 1.148 258 P CA 0.591 63.664 63.100 -0.044 0.000 0.779 258 P CB -0.039 31.676 31.700 0.026 0.000 0.780 259 N N -0.853 117.785 118.700 -0.103 0.000 2.314 259 N HA 0.084 4.823 4.740 -0.001 0.000 0.200 259 N C 1.322 176.778 175.510 -0.090 0.000 1.135 259 N CA 0.912 53.910 53.050 -0.088 0.000 0.835 259 N CB -0.171 38.249 38.487 -0.111 0.000 0.989 259 N HN 0.131 nan 8.380 nan 0.000 0.478 260 G N 0.950 109.693 108.800 -0.094 0.000 2.168 260 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.263 260 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.263 260 G C 0.469 175.317 174.900 -0.086 0.000 0.977 260 G CA 1.071 46.127 45.100 -0.074 0.000 0.659 260 G HN 0.527 nan 8.290 nan 0.000 0.533 261 T N -2.403 112.068 114.554 -0.138 0.000 2.881 261 T HA 0.726 5.076 4.350 -0.001 0.000 0.278 261 T C -0.126 174.438 174.700 -0.226 0.000 0.982 261 T CA -0.330 61.669 62.100 -0.168 0.000 0.989 261 T CB 2.778 71.538 68.868 -0.180 0.000 1.058 261 T HN 0.822 nan 8.240 nan 0.000 0.529 262 V N 1.705 121.435 119.914 -0.307 0.000 2.531 262 V HA 0.428 4.548 4.120 -0.001 0.000 0.301 262 V C -0.311 175.546 176.094 -0.395 0.000 1.034 262 V CA -0.946 61.112 62.300 -0.404 0.000 0.865 262 V CB 1.480 32.897 31.823 -0.677 0.000 0.995 262 V HN 0.805 nan 8.190 nan 0.000 0.424 263 L N 5.902 126.943 121.223 -0.302 0.000 2.307 263 L HA 0.649 4.988 4.340 -0.001 0.000 0.282 263 L C -0.566 176.161 176.870 -0.238 0.000 1.051 263 L CA -0.163 54.534 54.840 -0.239 0.000 0.804 263 L CB 1.199 43.141 42.059 -0.196 0.000 1.197 263 L HN 0.424 nan 8.230 nan 0.000 0.431 264 L N 3.147 124.239 121.223 -0.219 0.000 2.350 264 L HA 0.670 5.009 4.340 -0.001 0.000 0.260 264 L C -0.451 176.355 176.870 -0.107 0.000 1.015 264 L CA -0.936 53.797 54.840 -0.179 0.000 0.821 264 L CB 2.065 43.971 42.059 -0.255 0.000 1.370 264 L HN 0.423 nan 8.230 nan 0.000 0.416 265 R N 1.819 122.288 120.500 -0.052 0.000 2.337 265 R HA 0.690 5.030 4.340 -0.001 0.000 0.319 265 R C -1.165 175.135 176.300 -0.000 0.000 0.954 265 R CA -0.372 55.710 56.100 -0.030 0.000 0.840 265 R CB 1.199 31.487 30.300 -0.019 0.000 1.164 265 R HN 0.555 nan 8.270 nan 0.000 0.472 266 V N 0.550 120.478 119.914 0.022 0.000 3.105 266 V HA 0.957 5.077 4.120 -0.001 0.000 0.311 266 V C 0.044 176.198 176.094 0.099 0.000 1.282 266 V CA -0.828 61.513 62.300 0.069 0.000 1.065 266 V CB 1.651 33.517 31.823 0.072 0.000 1.136 266 V HN 0.609 nan 8.190 nan 0.000 0.469 267 G N -0.232 108.630 108.800 0.103 0.000 2.489 267 G HA2 0.618 4.577 3.960 -0.001 0.000 0.327 267 G HA3 0.618 4.577 3.960 -0.001 0.000 0.327 267 G C -1.347 173.549 174.900 -0.007 0.000 1.189 267 G CA -0.909 44.212 45.100 0.035 0.000 0.962 267 G HN 0.867 nan 8.290 nan 0.000 0.486 268 K N 0.606 120.835 120.400 -0.285 0.000 2.253 268 K HA 0.440 4.760 4.320 -0.001 0.000 0.277 268 K C 0.562 177.001 176.600 -0.269 0.000 1.053 268 K CA -0.373 55.674 56.287 -0.399 0.000 0.892 268 K CB 0.573 32.742 32.500 -0.552 0.000 1.102 268 K HN 0.534 nan 8.250 nan 0.000 0.469 269 S N 3.417 118.921 115.700 -0.326 0.000 2.592 269 S HA 0.180 4.650 4.470 -0.001 0.000 0.271 269 S C -0.222 174.249 174.600 -0.214 0.000 1.326 269 S CA -0.415 57.604 58.200 -0.301 0.000 1.024 269 S CB 0.193 63.154 63.200 -0.398 0.000 0.921 269 S HN 0.757 nan 8.310 nan 0.000 0.527 270 N N -0.851 117.768 118.700 -0.135 0.000 2.727 270 N HA -0.241 4.499 4.740 -0.001 0.000 0.249 270 N C -0.999 174.560 175.510 0.082 0.000 1.048 270 N CA 0.728 53.750 53.050 -0.047 0.000 0.714 270 N CB -1.747 36.646 38.487 -0.157 0.000 0.959 270 N HN 0.734 nan 8.380 nan 0.000 0.544 271 Y N 1.339 121.606 120.300 -0.054 0.000 2.436 271 Y HA 0.163 4.712 4.550 -0.001 0.000 0.336 271 Y C 0.829 176.699 175.900 -0.050 0.000 1.049 271 Y CA -0.674 57.392 58.100 -0.056 0.000 1.294 271 Y CB 0.488 38.900 38.460 -0.080 0.000 1.179 271 Y HN 0.109 nan 8.280 nan 0.000 0.520 272 R N 7.247 127.539 120.500 -0.346 0.000 2.220 272 R HA 0.286 4.625 4.340 -0.001 0.000 0.340 272 R C -0.321 175.705 176.300 -0.457 0.000 1.076 272 R CA -0.451 55.373 56.100 -0.460 0.000 0.920 272 R CB 0.271 30.340 30.300 -0.385 0.000 1.062 272 R HN 0.825 nan 8.270 nan 0.000 0.469 273 R N 2.239 122.600 120.500 -0.232 0.000 2.774 273 R HA -0.016 4.324 4.340 -0.001 0.000 0.269 273 R C 0.683 176.907 176.300 -0.126 0.000 1.068 273 R CA -0.518 55.538 56.100 -0.074 0.000 1.180 273 R CB 0.460 30.737 30.300 -0.039 0.000 1.077 273 R HN 0.639 nan 8.270 nan 0.000 0.513 274 D N 1.275 121.639 120.400 -0.061 0.000 2.158 274 D HA -0.177 4.463 4.640 -0.001 0.000 0.197 274 D C 0.995 177.262 176.300 -0.054 0.000 0.995 274 D CA 1.564 55.528 54.000 -0.059 0.000 0.846 274 D CB -0.230 40.552 40.800 -0.029 0.000 0.941 274 D HN 0.592 nan 8.370 nan 0.000 0.456 275 D N -0.915 119.463 120.400 -0.036 0.000 2.338 275 D HA 0.087 4.727 4.640 -0.001 0.000 0.239 275 D C 1.502 177.769 176.300 -0.054 0.000 1.095 275 D CA 0.780 54.765 54.000 -0.024 0.000 0.888 275 D CB -0.377 40.435 40.800 0.020 0.000 0.899 275 D HN 0.231 nan 8.370 nan 0.000 0.525 276 G N -0.583 108.146 108.800 -0.117 0.000 2.184 276 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.264 276 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.264 276 G C 0.268 175.017 174.900 -0.250 0.000 0.975 276 G CA 0.359 45.349 45.100 -0.183 0.000 0.642 276 G HN 0.425 nan 8.290 nan 0.000 0.536 277 V N 1.099 120.908 119.914 -0.176 0.000 2.614 277 V HA 0.438 4.558 4.120 -0.001 0.000 0.291 277 V C 0.658 176.591 176.094 -0.269 0.000 1.049 277 V CA -0.378 61.838 62.300 -0.140 0.000 1.038 277 V CB 0.987 32.794 31.823 -0.026 0.000 0.980 277 V HN 0.397 nan 8.190 nan 0.000 0.481 278 H N 2.386 121.423 119.070 -0.056 0.000 2.489 278 H HA 0.644 5.200 4.556 -0.001 0.000 0.322 278 H C -0.026 175.251 175.328 -0.086 0.000 1.091 278 H CA -0.365 55.649 56.048 -0.058 0.000 1.291 278 H CB 1.583 31.319 29.762 -0.044 0.000 1.436 278 H HN 0.641 nan 8.280 nan 0.000 0.480 279 V N 0.229 120.155 119.914 0.021 0.000 3.102 279 V HA 0.569 4.689 4.120 -0.001 0.000 0.312 279 V C -0.051 176.025 176.094 -0.030 0.000 1.135 279 V CA -0.988 61.273 62.300 -0.065 0.000 1.022 279 V CB 2.194 33.844 31.823 -0.288 0.000 1.056 279 V HN 0.700 nan 8.190 nan 0.000 0.436 280 T N 2.861 117.383 114.554 -0.054 0.000 2.728 280 T HA 0.490 4.840 4.350 -0.001 0.000 0.296 280 T C 0.492 175.152 174.700 -0.067 0.000 0.940 280 T CA 0.391 62.433 62.100 -0.096 0.000 1.013 280 T CB 0.508 69.282 68.868 -0.156 0.000 0.912 280 T HN 1.265 nan 8.240 nan 0.000 0.484 281 T N 1.387 115.870 114.554 -0.118 0.000 2.813 281 T HA 0.428 4.778 4.350 -0.001 0.000 0.297 281 T C 0.143 174.831 174.700 -0.019 0.000 1.036 281 T CA -0.867 61.173 62.100 -0.100 0.000 1.044 281 T CB 0.349 69.105 68.868 -0.187 0.000 0.993 281 T HN 0.302 nan 8.240 nan 0.000 0.535 282 I N 2.290 122.866 120.570 0.010 0.000 2.328 282 I HA 0.377 4.546 4.170 -0.001 0.000 0.287 282 I C 1.056 177.094 176.117 -0.131 0.000 1.012 282 I CA -0.488 60.789 61.300 -0.038 0.000 1.195 282 I CB 0.535 38.525 38.000 -0.016 0.000 1.350 282 I HN 0.895 nan 8.210 nan 0.000 0.464 283 R N 3.610 124.024 120.500 -0.144 0.000 3.416 283 R HA -0.198 4.141 4.340 -0.001 0.000 0.263 283 R C -0.482 175.665 176.300 -0.255 0.000 1.053 283 R CA 1.053 57.005 56.100 -0.246 0.000 0.705 283 R CB -1.252 28.762 30.300 -0.476 0.000 1.124 283 R HN 0.846 nan 8.270 nan 0.000 0.444 284 D N -2.484 117.872 120.400 -0.073 0.000 2.594 284 D HA 0.116 4.755 4.640 -0.001 0.000 0.256 284 D C -0.331 176.060 176.300 0.151 0.000 1.393 284 D CA -0.244 53.733 54.000 -0.038 0.000 0.797 284 D CB 0.186 40.992 40.800 0.009 0.000 1.110 284 D HN 0.289 nan 8.370 nan 0.000 0.495 285 H N -0.021 119.070 119.070 0.034 0.000 2.637 285 H HA 0.570 5.126 4.556 -0.001 0.000 0.363 285 H C -0.513 174.831 175.328 0.026 0.000 1.131 285 H CA -0.652 55.456 56.048 0.101 0.000 1.183 285 H CB 1.660 31.542 29.762 0.200 0.000 1.637 285 H HN -0.068 nan 8.280 nan 0.000 0.531 286 I N 3.971 124.632 120.570 0.153 0.000 2.378 286 I HA 0.232 4.401 4.170 -0.001 0.000 0.291 286 I C -0.259 175.951 176.117 0.156 0.000 0.992 286 I CA -0.435 60.921 61.300 0.094 0.000 1.154 286 I CB 0.934 38.928 38.000 -0.009 0.000 1.315 286 I HN 0.388 nan 8.210 nan 0.000 0.448 287 L N 5.078 126.280 121.223 -0.034 0.000 2.322 287 L HA 0.480 4.819 4.340 -0.001 0.000 0.279 287 L C 0.284 177.148 176.870 -0.010 0.000 1.036 287 L CA -0.573 54.200 54.840 -0.111 0.000 0.807 287 L CB 1.843 43.704 42.059 -0.330 0.000 1.226 287 L HN 0.593 nan 8.230 nan 0.000 0.433 288 E N 2.609 122.834 120.200 0.041 0.000 2.129 288 E HA 0.494 4.844 4.350 -0.001 0.000 0.268 288 E C -1.267 175.253 176.600 -0.133 0.000 0.900 288 E CA -0.648 55.735 56.400 -0.028 0.000 0.755 288 E CB 1.745 31.502 29.700 0.096 0.000 1.117 288 E HN 0.415 nan 8.360 nan 0.000 0.410 289 V N 1.352 121.134 119.914 -0.221 0.000 2.864 289 V HA 0.588 4.707 4.120 -0.001 0.000 0.314 289 V C -0.428 175.568 176.094 -0.164 0.000 1.073 289 V CA -0.959 61.224 62.300 -0.195 0.000 0.956 289 V CB 1.743 33.425 31.823 -0.235 0.000 1.023 289 V HN 0.735 nan 8.190 nan 0.000 0.435 290 D N 1.886 122.241 120.400 -0.073 0.000 2.466 290 D HA 0.330 4.970 4.640 -0.001 0.000 0.262 290 D C 0.498 176.824 176.300 0.043 0.000 1.177 290 D CA -0.788 53.194 54.000 -0.030 0.000 1.035 290 D CB 0.835 41.620 40.800 -0.024 0.000 1.105 290 D HN 0.530 nan 8.370 nan 0.000 0.551 291 K N -0.505 119.936 120.400 0.070 0.000 2.555 291 K HA 0.043 4.363 4.320 -0.001 0.000 0.193 291 K C 0.898 177.528 176.600 0.051 0.000 1.032 291 K CA 0.233 56.595 56.287 0.125 0.000 1.004 291 K CB -0.074 32.514 32.500 0.148 0.000 0.804 291 K HN 0.262 nan 8.250 nan 0.000 0.496 292 S N -0.084 115.621 115.700 0.007 0.000 2.575 292 S HA 0.088 4.557 4.470 -0.001 0.000 0.215 292 S C 1.238 175.810 174.600 -0.046 0.000 0.966 292 S CA 0.503 58.722 58.200 0.032 0.000 0.911 292 S CB 0.576 63.795 63.200 0.032 0.000 0.780 292 S HN 0.586 nan 8.310 nan 0.000 0.514 293 G N 2.151 110.817 108.800 -0.223 0.000 2.148 293 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.254 293 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.254 293 G C 0.057 174.976 174.900 0.033 0.000 0.981 293 G CA -0.170 44.860 45.100 -0.118 0.000 0.670 293 G HN 0.447 nan 8.290 nan 0.000 0.528 294 R N -0.589 119.917 120.500 0.009 0.000 2.500 294 R HA 0.515 4.854 4.340 -0.001 0.000 0.275 294 R C 0.234 176.529 176.300 -0.009 0.000 1.051 294 R CA -0.652 55.455 56.100 0.012 0.000 1.088 294 R CB 1.431 31.734 30.300 0.006 0.000 1.063 294 R HN 0.058 nan 8.270 nan 0.000 0.511 295 V N 3.113 123.024 119.914 -0.005 0.000 2.408 295 V HA 0.006 4.125 4.120 -0.001 0.000 0.267 295 V C 1.087 177.149 176.094 -0.054 0.000 1.047 295 V CA 0.063 62.340 62.300 -0.039 0.000 0.937 295 V CB 1.380 33.200 31.823 -0.006 0.000 0.999 295 V HN 0.663 nan 8.190 nan 0.000 0.472 296 V N 2.924 122.790 119.914 -0.081 0.000 2.825 296 V HA 0.182 4.301 4.120 -0.001 0.000 0.246 296 V C 0.469 176.484 176.094 -0.132 0.000 1.068 296 V CA 1.119 63.367 62.300 -0.087 0.000 1.088 296 V CB 0.005 31.779 31.823 -0.081 0.000 0.733 296 V HN 0.954 nan 8.190 nan 0.000 0.468 297 D N -2.048 118.248 120.400 -0.175 0.000 2.648 297 D HA 0.422 5.061 4.640 -0.001 0.000 0.244 297 D C -1.788 174.310 176.300 -0.336 0.000 1.244 297 D CA -0.058 53.741 54.000 -0.335 0.000 0.772 297 D CB 2.718 43.176 40.800 -0.570 0.000 1.379 297 D HN -0.101 nan 8.370 nan 0.000 0.428 298 V N 1.783 121.441 119.914 -0.426 0.000 2.841 298 V HA 0.677 4.797 4.120 -0.001 0.000 0.310 298 V C -1.491 174.427 176.094 -0.294 0.000 1.090 298 V CA -0.617 61.558 62.300 -0.209 0.000 0.930 298 V CB 2.194 34.012 31.823 -0.008 0.000 1.014 298 V HN 0.513 nan 8.190 nan 0.000 0.425 299 W N 4.355 125.630 121.300 -0.040 0.000 2.318 299 W HA 0.361 5.021 4.660 -0.000 0.000 0.315 299 W C -0.506 175.934 176.519 -0.133 0.000 1.033 299 W CA -0.516 56.796 57.345 -0.055 0.000 1.275 299 W CB 1.731 31.154 29.460 -0.062 0.000 1.250 299 W HN 0.665 nan 8.180 nan 0.000 0.421 300 D N 3.890 124.290 120.400 0.001 0.000 2.441 300 D HA 0.156 4.795 4.640 -0.001 0.000 0.221 300 D C 0.903 177.158 176.300 -0.076 0.000 1.156 300 D CA 0.033 53.865 54.000 -0.280 0.000 0.896 300 D CB 0.769 41.553 40.800 -0.027 0.000 1.028 300 D HN 0.299 nan 8.370 nan 0.000 0.509 301 L N 2.631 123.820 121.223 -0.057 0.000 2.376 301 L HA -0.076 4.263 4.340 -0.001 0.000 0.219 301 L C 2.453 179.514 176.870 0.319 0.000 1.133 301 L CA 1.061 56.014 54.840 0.188 0.000 0.816 301 L CB -0.512 41.668 42.059 0.202 0.000 0.933 301 L HN 0.459 nan 8.230 nan 0.000 0.449 302 T N -2.951 111.757 114.554 0.257 0.000 2.929 302 T HA -0.129 4.220 4.350 -0.001 0.000 0.271 302 T C 1.619 176.327 174.700 0.014 0.000 1.085 302 T CA 0.822 62.965 62.100 0.071 0.000 1.125 302 T CB -0.048 68.871 68.868 0.085 0.000 0.874 302 T HN 0.160 nan 8.240 nan 0.000 0.494 303 K N 0.079 120.522 120.400 0.073 0.000 2.358 303 K HA 0.437 4.757 4.320 -0.001 0.000 0.200 303 K C 1.619 178.254 176.600 0.057 0.000 1.030 303 K CA 0.051 56.368 56.287 0.052 0.000 1.097 303 K CB 0.387 32.923 32.500 0.060 0.000 0.862 303 K HN 0.467 nan 8.250 nan 0.000 0.534 304 I N -0.031 120.593 120.570 0.091 0.000 2.899 304 I HA 0.029 4.198 4.170 -0.001 0.000 0.257 304 I C 1.130 177.325 176.117 0.130 0.000 1.115 304 I CA 0.288 61.653 61.300 0.108 0.000 1.451 304 I CB 0.176 38.255 38.000 0.132 0.000 1.251 304 I HN -0.102 nan 8.210 nan 0.000 0.456 305 L N 0.024 121.363 121.223 0.193 0.000 2.874 305 L HA 0.319 4.658 4.340 -0.001 0.000 0.229 305 L C -0.352 176.588 176.870 0.117 0.000 1.200 305 L CA -0.512 54.485 54.840 0.263 0.000 0.976 305 L CB 0.288 42.621 42.059 0.456 0.000 1.887 305 L HN -0.010 nan 8.230 nan 0.000 0.543 306 D N -0.555 119.911 120.400 0.110 0.000 2.454 306 D HA 0.277 4.916 4.640 -0.001 0.000 0.247 306 D C -2.209 173.915 176.300 -0.293 0.000 1.129 306 D CA -2.002 51.945 54.000 -0.087 0.000 0.877 306 D CB 1.668 42.466 40.800 -0.004 0.000 1.082 306 D HN 0.030 nan 8.370 nan 0.000 0.537 307 P HA 0.053 nan 4.420 nan 0.000 0.245 307 P C 0.342 177.405 177.300 -0.395 0.000 1.212 307 P CA 0.578 63.057 63.100 -1.035 0.000 0.774 307 P CB 0.175 30.951 31.700 -1.540 0.000 0.999 308 K N -1.076 119.178 120.400 -0.244 0.000 2.355 308 K HA 0.134 4.454 4.320 -0.001 0.000 0.198 308 K C 0.885 177.421 176.600 -0.106 0.000 1.039 308 K CA -0.382 55.825 56.287 -0.133 0.000 1.075 308 K CB 0.406 32.839 32.500 -0.112 0.000 0.870 308 K HN 0.004 nan 8.250 nan 0.000 0.540 309 R N 3.331 123.746 120.500 -0.142 0.000 2.402 309 R HA -0.041 4.298 4.340 -0.001 0.000 0.331 309 R C -0.335 175.883 176.300 -0.138 0.000 1.040 309 R CA 0.252 56.227 56.100 -0.208 0.000 0.980 309 R CB 0.243 30.279 30.300 -0.441 0.000 0.967 309 R HN 0.173 nan 8.270 nan 0.000 0.440 310 D N 3.814 124.149 120.400 -0.108 0.000 2.402 310 D HA 0.035 4.674 4.640 -0.001 0.000 0.216 310 D C 1.114 177.369 176.300 -0.075 0.000 1.128 310 D CA 0.183 54.144 54.000 -0.065 0.000 0.833 310 D CB 0.540 41.317 40.800 -0.039 0.000 0.971 310 D HN 0.461 nan 8.370 nan 0.000 0.503 311 A N 0.654 123.403 122.820 -0.118 0.000 1.892 311 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 311 A C 1.968 179.528 177.584 -0.039 0.000 1.188 311 A CA 1.508 53.493 52.037 -0.086 0.000 0.631 311 A CB -0.540 18.381 19.000 -0.132 0.000 0.822 311 A HN 0.342 nan 8.150 nan 0.000 0.447 312 L N -0.974 120.223 121.223 -0.043 0.000 2.202 312 L HA 0.202 4.541 4.340 -0.001 0.000 0.205 312 L C 2.129 178.974 176.870 -0.042 0.000 1.083 312 L CA 1.141 55.981 54.840 0.001 0.000 0.790 312 L CB -0.537 41.545 42.059 0.039 0.000 0.942 312 L HN 0.340 nan 8.230 nan 0.000 0.452 313 L N -0.120 121.062 121.223 -0.069 0.000 2.081 313 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 313 L C 2.236 179.052 176.870 -0.091 0.000 1.080 313 L CA 1.450 56.217 54.840 -0.123 0.000 0.754 313 L CB -1.034 40.989 42.059 -0.060 0.000 0.893 313 L HN 0.494 nan 8.230 nan 0.000 0.433 314 G N -1.453 107.316 108.800 -0.053 0.000 2.813 314 G HA2 0.077 4.036 3.960 -0.001 0.000 0.209 314 G HA3 0.077 4.036 3.960 -0.001 0.000 0.209 314 G C 1.250 176.132 174.900 -0.029 0.000 1.150 314 G CA 0.540 45.618 45.100 -0.038 0.000 0.785 314 G HN 0.433 nan 8.290 nan 0.000 0.535 315 A N -0.123 122.682 122.820 -0.025 0.000 2.387 315 A HA 0.614 4.934 4.320 -0.001 0.000 0.234 315 A C 0.675 178.254 177.584 -0.009 0.000 1.253 315 A CA -0.336 51.696 52.037 -0.008 0.000 0.894 315 A CB 0.077 19.086 19.000 0.016 0.000 0.963 315 A HN 0.257 nan 8.150 nan 0.000 0.508 316 L N 0.119 121.326 121.223 -0.028 0.000 2.379 316 L HA 0.296 4.635 4.340 -0.001 0.000 0.269 316 L C -0.213 176.659 176.870 0.003 0.000 1.084 316 L CA -0.881 53.947 54.840 -0.019 0.000 0.802 316 L CB 0.940 42.950 42.059 -0.081 0.000 1.175 316 L HN 0.134 nan 8.230 nan 0.000 0.448 317 D N 1.086 121.510 120.400 0.040 0.000 2.343 317 D HA 0.181 4.821 4.640 -0.001 0.000 0.255 317 D C 0.796 177.134 176.300 0.063 0.000 1.187 317 D CA 0.032 54.061 54.000 0.047 0.000 0.875 317 D CB 1.861 42.718 40.800 0.094 0.000 1.136 317 D HN 0.582 nan 8.370 nan 0.000 0.469 318 A N 3.720 126.567 122.820 0.045 0.000 1.997 318 A HA -0.130 4.190 4.320 -0.001 0.000 0.221 318 A C 2.065 179.729 177.584 0.134 0.000 1.172 318 A CA 1.952 54.038 52.037 0.080 0.000 0.645 318 A CB -0.901 18.144 19.000 0.076 0.000 0.813 318 A HN 0.674 nan 8.150 nan 0.000 0.454 319 G N -1.137 107.731 108.800 0.113 0.000 2.448 319 G HA2 0.110 4.069 3.960 -0.001 0.000 0.219 319 G HA3 0.110 4.069 3.960 -0.001 0.000 0.219 319 G C 1.326 176.460 174.900 0.390 0.000 1.127 319 G CA 1.521 46.729 45.100 0.180 0.000 0.766 319 G HN 0.816 nan 8.290 nan 0.000 0.552 320 A N -0.588 122.439 122.820 0.345 0.000 3.272 320 A HA 0.657 4.977 4.320 -0.001 0.000 0.201 320 A C 1.119 178.820 177.584 0.195 0.000 2.039 320 A CA 1.064 53.276 52.037 0.293 0.000 0.955 320 A CB -0.379 18.776 19.000 0.259 0.000 1.292 320 A HN 1.067 nan 8.150 nan 0.000 0.453 329 H N 0.865 119.940 119.070 0.009 0.000 2.591 329 H HA 0.568 5.123 4.556 -0.001 0.000 0.302 329 H C 0.838 176.121 175.328 -0.075 0.000 1.163 329 H CA 0.281 56.317 56.048 -0.020 0.000 1.049 329 H CB 0.012 29.776 29.762 0.002 0.000 1.543 329 H HN 0.674 nan 8.280 nan 0.000 0.523 330 A N -0.649 122.138 122.820 -0.055 0.000 2.351 330 A HA 0.507 4.826 4.320 -0.001 0.000 0.257 330 A C 1.559 179.014 177.584 -0.216 0.000 1.087 330 A CA 0.391 52.237 52.037 -0.318 0.000 0.798 330 A CB 0.072 18.631 19.000 -0.735 0.000 1.033 330 A HN 0.574 nan 8.150 nan 0.000 0.488 331 G N -0.059 108.603 108.800 -0.230 0.000 2.267 331 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.257 331 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.257 331 G C 0.265 175.121 174.900 -0.073 0.000 0.998 331 G CA 0.666 45.692 45.100 -0.123 0.000 0.620 331 G HN 0.958 nan 8.290 nan 0.000 0.529 332 Q N 0.806 120.569 119.800 -0.062 0.000 2.294 332 Q HA 0.429 4.769 4.340 -0.001 0.000 0.257 332 Q C 0.242 176.220 176.000 -0.036 0.000 0.955 332 Q CA -0.263 55.510 55.803 -0.050 0.000 0.936 332 Q CB 1.169 29.869 28.738 -0.064 0.000 1.188 332 Q HN 0.559 nan 8.270 nan 0.000 0.420 333 Q N 1.768 121.546 119.800 -0.036 0.000 2.297 333 Q HA 0.288 4.628 4.340 -0.001 0.000 0.267 333 Q C -0.731 175.250 176.000 -0.030 0.000 1.006 333 Q CA -0.390 55.397 55.803 -0.027 0.000 0.896 333 Q CB 0.735 29.458 28.738 -0.026 0.000 1.186 333 Q HN 0.721 nan 8.270 nan 0.000 0.392 334 A N 4.671 127.477 122.820 -0.024 0.000 2.566 334 A HA 0.005 4.324 4.320 -0.001 0.000 0.245 334 A C -0.222 177.345 177.584 -0.029 0.000 1.056 334 A CA 0.315 52.337 52.037 -0.025 0.000 0.757 334 A CB -0.009 18.974 19.000 -0.028 0.000 0.979 334 A HN 0.756 nan 8.150 nan 0.000 0.508 335 K N 4.391 124.773 120.400 -0.031 0.000 2.292 335 K HA 0.480 4.799 4.320 -0.001 0.000 0.270 335 K C -0.651 175.935 176.600 -0.023 0.000 1.062 335 K CA -0.373 55.897 56.287 -0.029 0.000 0.916 335 K CB 0.225 32.705 32.500 -0.035 0.000 1.166 335 K HN 0.695 nan 8.250 nan 0.000 0.458 336 L N 3.513 124.723 121.223 -0.021 0.000 2.461 336 L HA 0.159 4.498 4.340 -0.001 0.000 0.272 336 L C 0.354 177.213 176.870 -0.018 0.000 1.197 336 L CA 0.103 54.933 54.840 -0.016 0.000 0.836 336 L CB 0.579 42.629 42.059 -0.014 0.000 1.105 336 L HN 0.656 nan 8.230 nan 0.000 0.477 337 E N 3.191 123.380 120.200 -0.019 0.000 2.266 337 E HA 0.266 4.615 4.350 -0.001 0.000 0.268 337 E C -1.783 174.796 176.600 -0.034 0.000 0.879 337 E CA -1.696 54.688 56.400 -0.026 0.000 0.762 337 E CB 1.882 31.565 29.700 -0.028 0.000 1.199 337 E HN 0.357 nan 8.360 nan 0.000 0.422 338 P HA -0.103 nan 4.420 nan 0.000 0.223 338 P C 0.256 177.514 177.300 -0.070 0.000 1.151 338 P CA 1.056 64.130 63.100 -0.042 0.000 0.787 338 P CB 0.351 32.031 31.700 -0.033 0.000 0.788 339 D N -1.557 118.798 120.400 -0.075 0.000 2.559 339 D HA 0.029 4.668 4.640 -0.001 0.000 0.234 339 D C -0.242 175.981 176.300 -0.128 0.000 1.226 339 D CA -0.369 53.567 54.000 -0.106 0.000 0.830 339 D CB -1.018 39.738 40.800 -0.074 0.000 1.028 339 D HN -0.171 nan 8.370 nan 0.000 0.492 340 T N 3.185 117.669 114.554 -0.117 0.000 2.829 340 T HA 0.174 4.523 4.350 -0.001 0.000 0.293 340 T C -2.308 172.275 174.700 -0.195 0.000 0.970 340 T CA -0.492 61.548 62.100 -0.101 0.000 1.168 340 T CB 0.808 69.647 68.868 -0.048 0.000 0.911 340 T HN 0.141 nan 8.240 nan 0.000 0.535 341 P HA 0.181 nan 4.420 nan 0.000 0.271 341 P C -0.104 177.106 177.300 -0.150 0.000 1.218 341 P CA -0.524 62.452 63.100 -0.207 0.000 0.780 341 P CB 0.292 31.945 31.700 -0.080 0.000 0.901 342 F N 1.498 121.466 119.950 0.030 0.000 2.553 342 F HA 0.436 4.963 4.527 -0.001 0.000 0.356 342 F C 1.672 177.500 175.800 0.046 0.000 1.142 342 F CA 1.648 59.673 58.000 0.043 0.000 1.322 342 F CB -0.408 38.616 39.000 0.041 0.000 1.126 342 F HN 0.584 nan 8.300 nan 0.000 0.599 343 G N 1.495 110.462 108.800 0.279 0.000 2.362 343 G HA2 0.065 4.025 3.960 -0.001 0.000 0.288 343 G HA3 0.065 4.025 3.960 -0.001 0.000 0.288 343 G C -1.743 173.266 174.900 0.181 0.000 1.305 343 G CA -1.087 44.133 45.100 0.200 0.000 0.910 343 G HN 0.529 nan 8.290 nan 0.000 0.518 344 D N 1.151 121.656 120.400 0.175 0.000 2.545 344 D HA 0.559 5.199 4.640 -0.001 0.000 0.227 344 D C 0.285 176.673 176.300 0.145 0.000 1.150 344 D CA 1.067 55.150 54.000 0.138 0.000 1.046 344 D CB -0.130 40.746 40.800 0.127 0.000 1.098 344 D HN 1.034 nan 8.370 nan 0.000 0.502 345 A N 3.450 126.358 122.820 0.146 0.000 2.488 345 A HA 0.419 4.738 4.320 -0.001 0.000 0.298 345 A C -0.488 177.179 177.584 0.139 0.000 1.044 345 A CA -0.727 51.389 52.037 0.132 0.000 0.693 345 A CB 0.931 19.995 19.000 0.107 0.000 1.272 345 A HN 0.396 nan 8.150 nan 0.000 0.402 346 L N 1.909 123.205 121.223 0.121 0.000 2.559 346 L HA 0.429 4.768 4.340 -0.001 0.000 0.274 346 L C 0.976 177.897 176.870 0.085 0.000 1.205 346 L CA 1.322 56.222 54.840 0.099 0.000 0.907 346 L CB 0.473 42.549 42.059 0.028 0.000 1.153 346 L HN 1.109 nan 8.230 nan 0.000 0.490 347 G N 2.346 111.215 108.800 0.115 0.000 2.316 347 G HA2 0.359 4.318 3.960 -0.001 0.000 0.296 347 G HA3 0.359 4.318 3.960 -0.001 0.000 0.296 347 G C -1.179 173.825 174.900 0.172 0.000 1.399 347 G CA -0.323 44.839 45.100 0.104 0.000 0.833 347 G HN 0.550 nan 8.290 nan 0.000 0.565 348 V N -1.255 118.733 119.914 0.124 0.000 2.997 348 V HA 0.964 5.083 4.120 -0.001 0.000 0.311 348 V C 1.013 177.174 176.094 0.111 0.000 1.066 348 V CA 0.407 62.780 62.300 0.121 0.000 1.039 348 V CB 0.847 32.687 31.823 0.029 0.000 1.081 348 V HN 2.928 nan 8.190 nan 0.000 0.467 349 G N 2.382 111.172 108.800 -0.016 0.000 2.692 349 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.686 349 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.686 349 G C -3.100 171.786 174.900 -0.024 0.000 1.243 349 G CA -0.538 44.518 45.100 -0.073 0.000 0.782 349 G HN 0.918 nan 8.290 nan 0.000 0.625 350 P HA 0.388 nan 4.420 nan 0.000 0.267 350 P C 1.122 178.383 177.300 -0.066 0.000 1.209 350 P CA 1.993 65.018 63.100 -0.125 0.000 0.763 350 P CB 0.786 32.328 31.700 -0.263 0.000 0.816 351 G N 2.519 111.319 108.800 -0.000 0.000 2.218 351 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.216 351 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.216 351 G C 0.237 175.328 174.900 0.317 0.000 0.994 351 G CA -0.469 44.659 45.100 0.046 0.000 0.637 351 G HN 0.537 nan 8.290 nan 0.000 0.505 352 R N -0.677 120.028 120.500 0.343 0.000 2.939 352 R HA 0.542 4.882 4.340 -0.001 0.000 0.254 352 R C -0.583 175.890 176.300 0.288 0.000 1.123 352 R CA -0.958 55.324 56.100 0.304 0.000 1.020 352 R CB 0.511 30.978 30.300 0.279 0.000 1.206 352 R HN 0.027 nan 8.270 nan 0.000 0.491 353 N N 2.298 121.129 118.700 0.219 0.000 3.245 353 N HA 0.001 4.741 4.740 -0.001 0.000 0.296 353 N C 0.442 176.085 175.510 0.222 0.000 1.254 353 N CA -0.320 52.817 53.050 0.145 0.000 1.190 353 N CB 0.138 38.729 38.487 0.173 0.000 1.460 353 N HN 0.613 nan 8.380 nan 0.000 0.538 354 W N 0.849 122.231 121.300 0.137 0.000 2.658 354 W HA 0.243 4.903 4.660 -0.001 0.000 0.263 354 W C 0.318 176.921 176.519 0.140 0.000 1.274 354 W CA 0.547 57.973 57.345 0.135 0.000 1.343 354 W CB -0.482 29.014 29.460 0.061 0.000 1.106 354 W HN 0.294 nan 8.180 nan 0.000 0.615 355 A N 0.155 122.465 122.820 -0.850 0.000 1.988 355 A HA 0.076 4.395 4.320 -0.001 0.000 0.198 355 A C 0.681 177.912 177.584 -0.589 0.000 1.507 355 A CA 0.571 52.036 52.037 -0.953 0.000 0.901 355 A CB -1.089 16.883 19.000 -1.712 0.000 1.007 355 A HN 0.440 nan 8.150 nan 0.000 0.502 356 H N 0.001 118.624 119.070 -0.745 0.000 2.496 356 H HA -0.121 4.435 4.556 -0.001 0.000 0.323 356 H C -0.770 174.220 175.328 -0.564 0.000 1.054 356 H CA 0.056 55.694 56.048 -0.684 0.000 1.095 356 H CB -1.394 27.781 29.762 -0.979 0.000 1.595 356 H HN 0.186 nan 8.280 nan 0.000 0.388 357 V N 2.627 122.287 119.914 -0.423 0.000 2.585 357 V HA -0.036 4.083 4.120 -0.001 0.000 0.296 357 V C 1.243 177.129 176.094 -0.346 0.000 1.035 357 V CA 1.001 63.119 62.300 -0.302 0.000 1.084 357 V CB 0.991 32.667 31.823 -0.244 0.000 0.953 357 V HN 0.889 nan 8.190 nan 0.000 0.483 358 N N 1.296 119.865 118.700 -0.219 0.000 2.143 358 N HA 0.132 4.872 4.740 -0.001 0.000 0.229 358 N C -0.169 175.383 175.510 0.071 0.000 1.294 358 N CA 0.245 53.185 53.050 -0.183 0.000 0.883 358 N CB 0.923 39.292 38.487 -0.197 0.000 1.148 358 N HN 0.658 nan 8.380 nan 0.000 0.511 359 S N -0.418 115.316 115.700 0.057 0.000 2.565 359 S HA 0.742 5.211 4.470 -0.001 0.000 0.269 359 S C -1.573 173.112 174.600 0.142 0.000 1.153 359 S CA -0.948 57.359 58.200 0.178 0.000 0.835 359 S CB 1.080 64.368 63.200 0.147 0.000 1.122 359 S HN 0.103 nan 8.310 nan 0.000 0.462 360 I N 0.891 121.598 120.570 0.229 0.000 2.722 360 I HA 0.783 4.952 4.170 -0.001 0.000 0.295 360 I C -0.499 175.703 176.117 0.142 0.000 1.161 360 I CA -0.989 60.369 61.300 0.097 0.000 1.032 360 I CB 2.218 40.203 38.000 -0.025 0.000 1.244 360 I HN 1.011 nan 8.210 nan 0.000 0.421 361 A N 4.194 127.065 122.820 0.084 0.000 2.422 361 A HA 0.675 4.995 4.320 -0.001 0.000 0.302 361 A C -1.900 175.703 177.584 0.033 0.000 1.041 361 A CA -0.439 51.638 52.037 0.066 0.000 0.708 361 A CB 1.297 20.404 19.000 0.179 0.000 1.257 361 A HN 0.625 nan 8.150 nan 0.000 0.414 362 Y N 1.890 122.131 120.300 -0.098 0.000 2.328 362 Y HA 0.503 5.053 4.550 -0.001 0.000 0.337 362 Y C -0.470 175.398 175.900 -0.055 0.000 1.008 362 Y CA -0.777 57.264 58.100 -0.098 0.000 1.129 362 Y CB 1.290 39.688 38.460 -0.103 0.000 1.185 362 Y HN 0.639 nan 8.280 nan 0.000 0.476 363 D N 4.948 124.975 120.400 -0.622 0.000 2.428 363 D HA 0.307 4.946 4.640 -0.001 0.000 0.221 363 D C 0.450 176.239 176.300 -0.851 0.000 1.123 363 D CA 0.100 53.786 54.000 -0.523 0.000 0.869 363 D CB 1.248 41.890 40.800 -0.263 0.000 1.032 363 D HN 0.764 nan 8.370 nan 0.000 0.506 364 A N 4.819 127.244 122.820 -0.659 0.000 2.209 364 A HA -0.086 4.234 4.320 -0.001 0.000 0.212 364 A C 1.975 179.450 177.584 -0.182 0.000 1.158 364 A CA 0.694 52.492 52.037 -0.399 0.000 0.742 364 A CB -0.109 18.869 19.000 -0.036 0.000 0.790 364 A HN 0.445 nan 8.150 nan 0.000 0.472 365 K N 0.542 120.844 120.400 -0.163 0.000 2.057 365 K HA -0.116 4.203 4.320 -0.001 0.000 0.206 365 K C 0.424 176.985 176.600 -0.064 0.000 1.050 365 K CA 1.610 57.850 56.287 -0.078 0.000 0.935 365 K CB -0.124 32.343 32.500 -0.055 0.000 0.715 365 K HN 0.736 nan 8.250 nan 0.000 0.439 366 D N -0.913 119.431 120.400 -0.094 0.000 2.563 366 D HA 0.003 4.643 4.640 -0.001 0.000 0.237 366 D C -0.519 175.753 176.300 -0.047 0.000 1.282 366 D CA -0.307 53.663 54.000 -0.050 0.000 0.816 366 D CB -0.173 40.611 40.800 -0.027 0.000 1.066 366 D HN -0.034 nan 8.370 nan 0.000 0.501 367 D N 0.480 120.816 120.400 -0.107 0.000 2.737 367 D HA -0.185 4.454 4.640 -0.001 0.000 0.238 367 D C -0.796 175.544 176.300 0.067 0.000 1.157 367 D CA 1.171 55.186 54.000 0.026 0.000 0.694 367 D CB -1.091 39.800 40.800 0.153 0.000 1.021 367 D HN 0.406 nan 8.370 nan 0.000 0.420 368 S N -0.635 114.992 115.700 -0.122 0.000 2.709 368 S HA 0.848 5.317 4.470 -0.001 0.000 0.302 368 S C 0.217 174.735 174.600 -0.136 0.000 1.127 368 S CA -0.888 57.273 58.200 -0.065 0.000 0.905 368 S CB 1.952 65.089 63.200 -0.106 0.000 1.151 368 S HN 0.632 nan 8.310 nan 0.000 0.510 369 I N -1.285 119.154 120.570 -0.218 0.000 2.509 369 I HA 0.647 4.816 4.170 -0.001 0.000 0.293 369 I C -1.325 174.612 176.117 -0.301 0.000 1.020 369 I CA -1.270 59.857 61.300 -0.289 0.000 1.088 369 I CB 1.333 38.993 38.000 -0.567 0.000 1.267 369 I HN 0.573 nan 8.210 nan 0.000 0.430 370 I N 6.423 126.873 120.570 -0.201 0.000 2.336 370 I HA 0.458 4.627 4.170 -0.001 0.000 0.292 370 I C -0.505 175.540 176.117 -0.119 0.000 0.991 370 I CA -0.495 60.695 61.300 -0.184 0.000 1.227 370 I CB 1.639 39.627 38.000 -0.020 0.000 1.366 370 I HN 0.438 nan 8.210 nan 0.000 0.466 371 L N 4.892 126.024 121.223 -0.153 0.000 2.362 371 L HA 0.450 4.790 4.340 -0.001 0.000 0.271 371 L C -0.031 176.812 176.870 -0.044 0.000 1.002 371 L CA -0.619 54.162 54.840 -0.099 0.000 0.818 371 L CB 2.073 44.040 42.059 -0.153 0.000 1.298 371 L HN 0.498 nan 8.230 nan 0.000 0.420 372 S N 1.387 117.076 115.700 -0.019 0.000 2.410 372 S HA 0.290 4.760 4.470 -0.001 0.000 0.304 372 S C -0.283 174.288 174.600 -0.048 0.000 1.095 372 S CA -0.402 57.792 58.200 -0.010 0.000 1.089 372 S CB 0.906 64.102 63.200 -0.008 0.000 0.968 372 S HN 0.567 nan 8.310 nan 0.000 0.480 373 S N 4.444 120.121 115.700 -0.037 0.000 2.422 373 S HA 0.326 4.796 4.470 -0.001 0.000 0.298 373 S C 1.199 175.779 174.600 -0.033 0.000 1.118 373 S CA -0.749 57.405 58.200 -0.076 0.000 1.083 373 S CB 0.677 63.847 63.200 -0.050 0.000 0.971 373 S HN 0.889 nan 8.310 nan 0.000 0.478 374 R N 3.230 123.674 120.500 -0.093 0.000 2.115 374 R HA -0.028 4.312 4.340 -0.001 0.000 0.230 374 R C 0.700 177.093 176.300 0.154 0.000 1.111 374 R CA 1.511 57.588 56.100 -0.038 0.000 0.976 374 R CB -0.146 30.002 30.300 -0.252 0.000 0.870 374 R HN 0.835 nan 8.270 nan 0.000 0.445 375 H N -1.780 117.265 119.070 -0.042 0.000 2.542 375 H HA 0.194 4.749 4.556 -0.001 0.000 0.283 375 H C 0.813 176.145 175.328 0.007 0.000 1.059 375 H CA -0.372 55.664 56.048 -0.020 0.000 1.162 375 H CB 0.944 30.690 29.762 -0.026 0.000 1.539 375 H HN 0.153 nan 8.280 nan 0.000 0.543 376 Q N -0.541 119.347 119.800 0.146 0.000 2.106 376 Q HA 0.243 4.582 4.340 -0.001 0.000 0.230 376 Q C 0.928 177.088 176.000 0.267 0.000 0.720 376 Q CA 0.712 56.609 55.803 0.156 0.000 0.899 376 Q CB 2.619 31.479 28.738 0.203 0.000 1.232 376 Q HN 0.491 nan 8.270 nan 0.000 0.461 377 G N 0.468 109.378 108.800 0.183 0.000 2.298 377 G HA2 0.030 3.989 3.960 -0.001 0.000 0.309 377 G HA3 0.030 3.989 3.960 -0.001 0.000 0.309 377 G C -1.558 173.417 174.900 0.125 0.000 1.279 377 G CA -0.429 44.769 45.100 0.162 0.000 1.042 377 G HN -0.023 nan 8.290 nan 0.000 0.480 378 V N 0.510 120.501 119.914 0.128 0.000 2.459 378 V HA 0.777 4.897 4.120 -0.001 0.000 0.295 378 V C 0.463 176.624 176.094 0.113 0.000 1.029 378 V CA -0.041 62.336 62.300 0.128 0.000 0.874 378 V CB 1.072 33.011 31.823 0.193 0.000 0.985 378 V HN 1.843 nan 8.190 nan 0.000 0.438 379 V N 1.751 121.594 119.914 -0.118 0.000 2.841 379 V HA 0.705 4.825 4.120 -0.001 0.000 0.310 379 V C -0.775 174.847 176.094 -0.785 0.000 1.090 379 V CA -1.033 61.031 62.300 -0.393 0.000 0.930 379 V CB 1.869 33.573 31.823 -0.199 0.000 1.014 379 V HN 0.876 nan 8.190 nan 0.000 0.425 380 K N 3.706 123.330 120.400 -1.292 0.000 2.185 380 K HA 0.783 5.103 4.320 -0.001 0.000 0.269 380 K C -1.365 174.895 176.600 -0.566 0.000 0.987 380 K CA -0.728 54.936 56.287 -1.038 0.000 0.865 380 K CB 1.512 33.138 32.500 -1.456 0.000 1.090 380 K HN 0.848 nan 8.250 nan 0.000 0.450 381 I N 3.063 123.413 120.570 -0.366 0.000 2.465 381 I HA 0.317 4.486 4.170 -0.001 0.000 0.291 381 I C 0.577 176.649 176.117 -0.074 0.000 1.014 381 I CA -1.060 60.134 61.300 -0.176 0.000 1.093 381 I CB 2.096 40.026 38.000 -0.117 0.000 1.267 381 I HN 0.778 nan 8.210 nan 0.000 0.431 382 G N 2.723 111.540 108.800 0.029 0.000 2.599 382 G HA2 0.177 4.136 3.960 -0.001 0.000 0.264 382 G HA3 0.177 4.136 3.960 -0.001 0.000 0.264 382 G C 0.752 175.829 174.900 0.295 0.000 1.200 382 G CA -0.271 44.888 45.100 0.098 0.000 0.896 382 G HN 0.701 nan 8.290 nan 0.000 0.536 383 R N 0.386 121.044 120.500 0.263 0.000 2.140 383 R HA -0.187 4.152 4.340 -0.001 0.000 0.250 383 R C 1.937 178.300 176.300 0.104 0.000 1.150 383 R CA 2.316 58.567 56.100 0.251 0.000 0.966 383 R CB -0.489 29.904 30.300 0.155 0.000 0.869 383 R HN 0.670 nan 8.270 nan 0.000 0.445 384 D N 0.039 120.488 120.400 0.081 0.000 2.371 384 D HA -0.088 4.551 4.640 -0.001 0.000 0.234 384 D C -0.103 176.220 176.300 0.038 0.000 1.049 384 D CA 0.291 54.310 54.000 0.032 0.000 0.907 384 D CB 0.038 40.855 40.800 0.028 0.000 0.891 384 D HN 0.131 nan 8.370 nan 0.000 0.531 385 K N -1.121 119.340 120.400 0.103 0.000 3.341 385 K HA -0.171 4.149 4.320 -0.001 0.000 0.305 385 K C -0.367 176.292 176.600 0.099 0.000 1.270 385 K CA 0.640 57.004 56.287 0.128 0.000 0.897 385 K CB -2.153 30.361 32.500 0.023 0.000 1.264 385 K HN 0.463 nan 8.250 nan 0.000 0.468 386 Q N 0.348 120.191 119.800 0.072 0.000 2.241 386 Q HA 0.353 4.693 4.340 -0.001 0.000 0.254 386 Q C 0.139 176.146 176.000 0.011 0.000 0.917 386 Q CA -0.661 55.165 55.803 0.038 0.000 0.919 386 Q CB 1.824 30.577 28.738 0.025 0.000 1.237 386 Q HN -0.034 nan 8.270 nan 0.000 0.434 387 V N 4.311 124.221 119.914 -0.005 0.000 2.493 387 V HA -0.076 4.043 4.120 -0.001 0.000 0.292 387 V C 1.270 177.321 176.094 -0.072 0.000 1.016 387 V CA 0.484 62.747 62.300 -0.062 0.000 1.097 387 V CB 0.229 32.022 31.823 -0.050 0.000 0.947 387 V HN 0.604 nan 8.190 nan 0.000 0.479 388 K N 4.832 125.145 120.400 -0.143 0.000 2.168 388 K HA 0.169 4.489 4.320 -0.001 0.000 0.201 388 K C 0.276 176.896 176.600 0.032 0.000 1.049 388 K CA 0.843 57.082 56.287 -0.080 0.000 0.974 388 K CB 0.448 32.873 32.500 -0.125 0.000 0.792 388 K HN 0.871 nan 8.250 nan 0.000 0.463 389 W N -0.319 120.941 121.300 -0.066 0.000 3.137 389 W HA 0.570 5.230 4.660 -0.001 0.000 0.324 389 W C -1.455 174.981 176.519 -0.138 0.000 1.253 389 W CA -0.993 56.294 57.345 -0.097 0.000 1.183 389 W CB 0.511 29.927 29.460 -0.073 0.000 1.424 389 W HN -0.315 nan 8.180 nan 0.000 0.566 390 I N 2.783 123.504 120.570 0.251 0.000 2.465 390 I HA 0.283 4.452 4.170 -0.001 0.000 0.291 390 I C -0.993 175.221 176.117 0.162 0.000 1.014 390 I CA -1.032 60.313 61.300 0.075 0.000 1.093 390 I CB 2.079 39.811 38.000 -0.447 0.000 1.267 390 I HN 0.194 nan 8.210 nan 0.000 0.431 391 L N 6.987 128.354 121.223 0.241 0.000 2.297 391 L HA 0.838 5.178 4.340 -0.001 0.000 0.277 391 L C -0.303 176.626 176.870 0.098 0.000 1.040 391 L CA 0.028 54.952 54.840 0.139 0.000 0.867 391 L CB 0.250 42.337 42.059 0.047 0.000 1.244 391 L HN 0.776 nan 8.230 nan 0.000 0.433 392 A N 5.654 128.446 122.820 -0.047 0.000 2.597 392 A HA 0.788 5.108 4.320 -0.001 0.000 0.292 392 A C -3.009 174.180 177.584 -0.659 0.000 1.057 392 A CA -1.016 50.912 52.037 -0.183 0.000 0.674 392 A CB 0.982 20.090 19.000 0.180 0.000 1.278 392 A HN 0.385 nan 8.150 nan 0.000 0.416 393 P HA 0.073 nan 4.420 nan 0.000 0.267 393 P C 0.967 178.237 177.300 -0.050 0.000 1.200 393 P CA 0.711 63.498 63.100 -0.521 0.000 0.772 393 P CB 0.802 32.430 31.700 -0.121 0.000 0.855 394 S N 1.234 116.929 115.700 -0.008 0.000 2.461 394 S HA -0.071 4.398 4.470 -0.001 0.000 0.228 394 S C 0.883 175.645 174.600 0.270 0.000 1.005 394 S CA 0.181 58.478 58.200 0.162 0.000 0.942 394 S CB -0.384 62.857 63.200 0.069 0.000 0.776 394 S HN 0.462 nan 8.310 nan 0.000 0.514 395 K N 1.246 121.733 120.400 0.144 0.000 2.489 395 K HA 0.298 4.617 4.320 -0.001 0.000 0.278 395 K C 1.245 177.840 176.600 -0.009 0.000 1.000 395 K CA 0.998 57.328 56.287 0.073 0.000 1.012 395 K CB -0.295 32.230 32.500 0.042 0.000 0.903 395 K HN 0.430 nan 8.250 nan 0.000 0.485 396 G N 3.545 112.324 108.800 -0.035 0.000 2.241 396 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.244 396 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.244 396 G C -0.566 174.229 174.900 -0.174 0.000 0.998 396 G CA 0.100 45.106 45.100 -0.155 0.000 0.621 396 G HN 0.690 nan 8.290 nan 0.000 0.519 397 W N 2.382 123.685 121.300 0.005 0.000 2.388 397 W HA 0.626 5.285 4.660 -0.001 0.000 0.308 397 W C 0.708 177.231 176.519 0.007 0.000 1.263 397 W CA -0.620 56.730 57.345 0.008 0.000 1.286 397 W CB 0.531 29.994 29.460 0.004 0.000 1.294 397 W HN 0.180 nan 8.180 nan 0.000 0.493 398 E N 1.504 121.840 120.200 0.227 0.000 2.283 398 E HA 0.253 4.602 4.350 -0.001 0.000 0.267 398 E C -0.116 176.573 176.600 0.148 0.000 1.045 398 E CA -0.869 55.616 56.400 0.141 0.000 0.884 398 E CB 0.982 30.732 29.700 0.082 0.000 1.106 398 E HN -0.043 nan 8.360 nan 0.000 0.408 399 K N 1.559 122.017 120.400 0.096 0.000 2.185 399 K HA 0.136 4.455 4.320 -0.001 0.000 0.271 399 K C -1.736 174.902 176.600 0.064 0.000 1.013 399 K CA -1.095 55.236 56.287 0.074 0.000 0.943 399 K CB 0.682 33.212 32.500 0.049 0.000 0.998 399 K HN 0.494 nan 8.250 nan 0.000 0.468 400 P HA 0.081 nan 4.420 nan 0.000 0.229 400 P C 0.936 178.263 177.300 0.044 0.000 1.160 400 P CA 0.715 63.842 63.100 0.044 0.000 0.777 400 P CB 0.178 31.900 31.700 0.037 0.000 0.814 401 L N -0.597 120.673 121.223 0.078 0.000 2.095 401 L HA -0.016 4.324 4.340 -0.001 0.000 0.204 401 L C 2.508 179.355 176.870 -0.038 0.000 1.080 401 L CA 1.055 55.924 54.840 0.048 0.000 0.759 401 L CB -1.108 41.068 42.059 0.196 0.000 0.914 401 L HN -0.080 nan 8.230 nan 0.000 0.439 402 A N 0.555 123.405 122.820 0.049 0.000 1.958 402 A HA -0.298 4.021 4.320 -0.001 0.000 0.221 402 A C 2.477 180.035 177.584 -0.043 0.000 1.178 402 A CA 2.290 54.332 52.037 0.007 0.000 0.642 402 A CB -0.819 18.234 19.000 0.089 0.000 0.816 402 A HN 0.542 nan 8.150 nan 0.000 0.453 403 S N -1.142 114.548 115.700 -0.016 0.000 2.507 403 S HA -0.067 4.402 4.470 -0.001 0.000 0.235 403 S C 1.474 176.057 174.600 -0.028 0.000 0.988 403 S CA 1.238 59.430 58.200 -0.014 0.000 0.944 403 S CB -0.113 63.089 63.200 0.003 0.000 0.762 403 S HN 0.479 nan 8.310 nan 0.000 0.526 404 K N 0.743 121.106 120.400 -0.062 0.000 2.361 404 K HA 0.353 4.673 4.320 -0.001 0.000 0.194 404 K C 0.329 176.888 176.600 -0.067 0.000 1.032 404 K CA -0.146 56.111 56.287 -0.050 0.000 1.048 404 K CB -0.325 32.134 32.500 -0.069 0.000 0.842 404 K HN 0.440 nan 8.250 nan 0.000 0.526 405 L N 2.371 123.504 121.223 -0.151 0.000 2.559 405 L HA -0.013 4.327 4.340 -0.001 0.000 0.274 405 L C 0.541 177.383 176.870 -0.047 0.000 1.205 405 L CA 0.001 54.749 54.840 -0.154 0.000 0.907 405 L CB -0.026 41.918 42.059 -0.191 0.000 1.153 405 L HN -0.065 nan 8.230 nan 0.000 0.490 406 L N 4.538 125.751 121.223 -0.016 0.000 2.439 406 L HA 0.164 4.503 4.340 -0.001 0.000 0.269 406 L C 0.374 177.245 176.870 0.003 0.000 1.179 406 L CA -0.106 54.712 54.840 -0.036 0.000 0.828 406 L CB 0.357 42.338 42.059 -0.130 0.000 1.106 406 L HN 0.540 nan 8.230 nan 0.000 0.467 407 K N 3.793 124.171 120.400 -0.037 0.000 2.253 407 K HA 0.313 4.633 4.320 -0.001 0.000 0.277 407 K C -2.362 174.156 176.600 -0.136 0.000 1.053 407 K CA -1.770 54.486 56.287 -0.051 0.000 0.892 407 K CB 1.015 33.486 32.500 -0.048 0.000 1.102 407 K HN 0.212 nan 8.250 nan 0.000 0.469 408 P HA -0.083 nan 4.420 nan 0.000 0.263 408 P C -0.767 176.306 177.300 -0.377 0.000 1.195 408 P CA -0.199 62.506 63.100 -0.657 0.000 0.762 408 P CB 0.561 31.544 31.700 -1.195 0.000 0.799 409 V N 0.256 120.017 119.914 -0.255 0.000 3.040 409 V HA 0.684 4.804 4.120 -0.001 0.000 0.312 409 V C -0.302 175.762 176.094 -0.049 0.000 1.115 409 V CA -1.228 61.000 62.300 -0.120 0.000 0.998 409 V CB 2.171 33.954 31.823 -0.065 0.000 1.042 409 V HN 0.434 nan 8.190 nan 0.000 0.433 410 D N 2.415 122.800 120.400 -0.024 0.000 2.478 410 D HA 0.562 5.202 4.640 -0.001 0.000 0.274 410 D C 1.247 177.560 176.300 0.022 0.000 1.234 410 D CA 0.073 54.081 54.000 0.013 0.000 1.069 410 D CB 0.939 41.742 40.800 0.005 0.000 1.113 410 D HN 0.840 nan 8.370 nan 0.000 0.571 411 A N -0.596 122.239 122.820 0.025 0.000 2.070 411 A HA -0.157 4.162 4.320 -0.001 0.000 0.220 411 A C 1.368 178.961 177.584 0.014 0.000 1.159 411 A CA 0.989 53.041 52.037 0.024 0.000 0.656 411 A CB -0.719 18.295 19.000 0.023 0.000 0.800 411 A HN 0.553 nan 8.150 nan 0.000 0.453 412 N N -0.977 117.728 118.700 0.007 0.000 2.280 412 N HA 0.171 4.911 4.740 -0.001 0.000 0.192 412 N C 1.037 176.546 175.510 -0.002 0.000 1.109 412 N CA 0.871 53.923 53.050 0.003 0.000 0.855 412 N CB 0.558 39.045 38.487 0.000 0.000 0.974 412 N HN 0.592 nan 8.380 nan 0.000 0.482 413 G N 1.247 110.045 108.800 -0.004 0.000 2.136 413 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.242 413 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.242 413 G C -0.063 174.825 174.900 -0.020 0.000 0.989 413 G CA -0.053 45.040 45.100 -0.012 0.000 0.682 413 G HN 0.277 nan 8.290 nan 0.000 0.522 414 K N 0.949 121.337 120.400 -0.020 0.000 2.205 414 K HA 0.400 4.719 4.320 -0.001 0.000 0.279 414 K C -2.328 174.248 176.600 -0.041 0.000 1.027 414 K CA -1.887 54.385 56.287 -0.025 0.000 0.932 414 K CB 1.083 33.572 32.500 -0.018 0.000 1.032 414 K HN -0.016 nan 8.250 nan 0.000 0.466 415 P HA -0.065 nan 4.420 nan 0.000 0.263 415 P C -0.524 176.732 177.300 -0.073 0.000 1.175 415 P CA 0.631 63.693 63.100 -0.064 0.000 0.761 415 P CB 0.372 32.045 31.700 -0.045 0.000 0.794 416 I N 1.899 122.397 120.570 -0.120 0.000 2.498 416 I HA 0.233 4.403 4.170 -0.001 0.000 0.301 416 I C 0.559 176.624 176.117 -0.088 0.000 0.984 416 I CA -0.334 60.898 61.300 -0.115 0.000 1.204 416 I CB 1.528 39.411 38.000 -0.196 0.000 1.362 416 I HN 0.147 nan 8.210 nan 0.000 0.471 417 T N 4.462 118.993 114.554 -0.037 0.000 2.749 417 T HA 0.444 4.793 4.350 -0.001 0.000 0.287 417 T C -0.748 173.969 174.700 0.028 0.000 0.970 417 T CA -0.275 61.823 62.100 -0.004 0.000 0.980 417 T CB 0.388 69.258 68.868 0.003 0.000 0.924 417 T HN 0.543 nan 8.240 nan 0.000 0.456 418 c N 4.357 122.996 118.600 0.064 0.000 2.698 418 c HA 0.620 5.189 4.570 -0.001 0.000 0.309 418 c C 0.485 174.650 174.090 0.125 0.000 1.186 418 c CA -1.596 54.814 56.329 0.136 0.000 1.474 418 c CB 1.261 43.934 42.510 0.272 0.000 2.020 418 c HN 1.008 nan 8.230 nan 0.000 0.474 419 N N 1.012 119.784 118.700 0.120 0.000 2.322 419 N HA 0.111 4.851 4.740 -0.001 0.000 0.270 419 N C 0.788 176.367 175.510 0.116 0.000 1.286 419 N CA -0.276 52.831 53.050 0.095 0.000 0.948 419 N CB 0.185 38.712 38.487 0.067 0.000 1.164 419 N HN 0.848 nan 8.380 nan 0.000 0.551 420 E N -1.285 118.969 120.200 0.089 0.000 2.338 420 E HA -0.118 4.232 4.350 -0.001 0.000 0.197 420 E C 0.063 176.725 176.600 0.103 0.000 1.007 420 E CA 0.825 57.276 56.400 0.084 0.000 0.849 420 E CB -0.336 29.405 29.700 0.068 0.000 0.774 420 E HN 0.452 nan 8.360 nan 0.000 0.506 421 N N 0.460 119.242 118.700 0.137 0.000 2.398 421 N HA 0.062 4.802 4.740 -0.001 0.000 0.188 421 N C 1.008 176.726 175.510 0.348 0.000 1.122 421 N CA 0.919 54.090 53.050 0.201 0.000 0.866 421 N CB 1.027 39.618 38.487 0.173 0.000 0.970 421 N HN 0.452 nan 8.380 nan 0.000 0.462 422 G N 0.452 109.456 108.800 0.340 0.000 2.176 422 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.253 422 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.253 422 G C -0.185 175.132 174.900 0.695 0.000 0.979 422 G CA -0.073 45.410 45.100 0.637 0.000 0.641 422 G HN 0.322 nan 8.290 nan 0.000 0.530 423 L N 2.252 123.652 121.223 0.296 0.000 2.369 423 L HA 0.632 4.971 4.340 -0.001 0.000 0.279 423 L C 0.698 177.622 176.870 0.089 0.000 1.108 423 L CA -0.796 54.005 54.840 -0.064 0.000 0.852 423 L CB 0.095 41.981 42.059 -0.288 0.000 1.169 423 L HN 0.265 nan 8.230 nan 0.000 0.452 424 c N 3.839 122.519 118.600 0.134 0.000 2.364 424 c HA 0.440 5.010 4.570 -0.001 0.000 0.356 424 c C 0.408 174.532 174.090 0.057 0.000 1.201 424 c CA -0.868 55.534 56.329 0.121 0.000 2.227 424 c CB 0.791 43.403 42.510 0.171 0.000 2.387 424 c HN 0.733 nan 8.230 nan 0.000 0.546 425 E N 1.972 122.195 120.200 0.038 0.000 2.227 425 E HA 0.184 4.533 4.350 -0.001 0.000 0.282 425 E C -0.369 176.241 176.600 0.018 0.000 1.015 425 E CA -0.069 56.342 56.400 0.019 0.000 0.823 425 E CB 0.479 30.185 29.700 0.011 0.000 1.081 425 E HN 0.660 nan 8.360 nan 0.000 0.396 426 N N 1.316 120.024 118.700 0.013 0.000 2.740 426 N HA -0.185 4.554 4.740 -0.001 0.000 0.248 426 N C -1.134 174.385 175.510 0.015 0.000 1.062 426 N CA 0.952 54.006 53.050 0.007 0.000 0.704 426 N CB -1.183 37.304 38.487 0.001 0.000 0.968 426 N HN 0.294 nan 8.380 nan 0.000 0.547 427 S N -1.231 114.488 115.700 0.032 0.000 2.550 427 S HA 0.321 4.790 4.470 -0.001 0.000 0.270 427 S C 0.050 174.689 174.600 0.065 0.000 1.145 427 S CA -0.640 57.593 58.200 0.055 0.000 0.852 427 S CB 1.383 64.637 63.200 0.089 0.000 1.119 427 S HN 0.045 nan 8.310 nan 0.000 0.465 428 D N 1.063 121.496 120.400 0.054 0.000 2.277 428 D HA 0.069 4.708 4.640 -0.001 0.000 0.208 428 D C 0.417 176.753 176.300 0.061 0.000 0.962 428 D CA 0.453 54.468 54.000 0.025 0.000 0.865 428 D CB -0.050 40.731 40.800 -0.031 0.000 0.939 428 D HN 0.488 nan 8.370 nan 0.000 0.510 429 F N 1.729 121.666 119.950 -0.022 0.000 2.623 429 F HA 0.017 4.543 4.527 -0.001 0.000 0.383 429 F C 0.508 176.316 175.800 0.013 0.000 1.077 429 F CA 0.437 58.421 58.000 -0.028 0.000 1.268 429 F CB 0.449 39.410 39.000 -0.065 0.000 1.053 429 F HN -0.255 nan 8.300 nan 0.000 0.571 430 D N 4.654 124.909 120.400 -0.242 0.000 2.661 430 D HA 0.309 4.948 4.640 -0.001 0.000 0.228 430 D C -0.909 175.292 176.300 -0.165 0.000 1.210 430 D CA -0.457 53.589 54.000 0.078 0.000 0.826 430 D CB 1.112 42.063 40.800 0.251 0.000 1.542 430 D HN 0.194 nan 8.370 nan 0.000 0.447 431 F N 0.101 120.248 119.950 0.329 0.000 2.284 431 F HA 0.369 4.895 4.527 -0.001 0.000 0.297 431 F C 1.525 177.347 175.800 0.037 0.000 1.215 431 F CA -0.136 57.937 58.000 0.122 0.000 1.120 431 F CB 0.595 39.603 39.000 0.014 0.000 1.426 431 F HN 0.183 nan 8.300 nan 0.000 0.514 432 T N -2.110 112.465 114.554 0.036 0.000 2.925 432 T HA 0.641 4.991 4.350 -0.001 0.000 0.285 432 T C -1.444 173.049 174.700 -0.344 0.000 1.021 432 T CA -0.586 61.524 62.100 0.018 0.000 1.042 432 T CB 1.079 70.016 68.868 0.115 0.000 1.037 432 T HN 0.352 nan 8.240 nan 0.000 0.481 433 Y N 0.609 120.967 120.300 0.097 0.000 2.361 433 Y HA 0.415 4.965 4.550 -0.001 0.000 0.328 433 Y C 0.956 176.903 175.900 0.079 0.000 1.044 433 Y CA -0.437 57.706 58.100 0.072 0.000 1.085 433 Y CB 1.877 40.341 38.460 0.007 0.000 1.194 433 Y HN 1.152 nan 8.280 nan 0.000 0.438 434 T N -0.608 114.052 114.554 0.178 0.000 4.146 434 T HA -0.268 4.082 4.350 -0.001 0.000 0.336 434 T C -0.003 174.770 174.700 0.121 0.000 0.762 434 T CA 1.006 63.192 62.100 0.143 0.000 1.914 434 T CB -1.570 67.387 68.868 0.148 0.000 1.897 434 T HN 0.741 nan 8.240 nan 0.000 0.862 438 A N 2.216 124.834 122.820 -0.337 0.000 2.797 438 A HA 0.568 4.888 4.320 -0.001 0.000 0.296 438 A C -0.107 177.583 177.584 0.177 0.000 1.580 438 A CA -0.350 51.668 52.037 -0.031 0.000 1.277 438 A CB -0.395 18.652 19.000 0.079 0.000 1.101 438 A HN 0.625 nan 8.150 nan 0.000 0.562 439 W N 0.979 122.340 121.300 0.101 0.000 2.736 439 W HA 0.555 5.214 4.660 -0.001 0.000 0.355 439 W C -0.217 176.351 176.519 0.082 0.000 1.102 439 W CA -1.692 55.700 57.345 0.079 0.000 1.164 439 W CB 0.821 30.322 29.460 0.069 0.000 1.422 439 W HN 0.312 nan 8.180 nan 0.000 0.572 440 I N 2.771 123.519 120.570 0.296 0.000 2.325 440 I HA 0.076 4.246 4.170 -0.001 0.000 0.291 440 I C 0.883 177.089 176.117 0.148 0.000 1.019 440 I CA -0.191 61.211 61.300 0.170 0.000 1.302 440 I CB 0.553 38.611 38.000 0.096 0.000 1.401 440 I HN 0.253 nan 8.210 nan 0.000 0.485 441 S N 3.285 119.058 115.700 0.122 0.000 2.652 441 S HA 0.137 4.606 4.470 -0.001 0.000 0.270 441 S C 1.262 175.902 174.600 0.065 0.000 1.243 441 S CA -0.264 58.004 58.200 0.114 0.000 0.999 441 S CB 1.571 64.801 63.200 0.050 0.000 0.973 441 S HN 0.736 nan 8.310 nan 0.000 0.544 442 S N 0.851 116.613 115.700 0.105 0.000 2.465 442 S HA -0.131 4.339 4.470 -0.001 0.000 0.241 442 S C 1.197 175.798 174.600 0.001 0.000 1.000 442 S CA 0.954 59.193 58.200 0.066 0.000 0.964 442 S CB -0.602 62.669 63.200 0.119 0.000 0.763 442 S HN 0.785 nan 8.310 nan 0.000 0.512 443 K N 0.781 121.129 120.400 -0.086 0.000 2.444 443 K HA 0.260 4.579 4.320 -0.001 0.000 0.193 443 K C 1.025 177.566 176.600 -0.099 0.000 1.024 443 K CA 0.341 56.525 56.287 -0.172 0.000 1.077 443 K CB -0.219 32.035 32.500 -0.410 0.000 0.833 443 K HN 0.531 nan 8.250 nan 0.000 0.517 444 G N 2.334 111.105 108.800 -0.049 0.000 2.225 444 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.264 444 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.264 444 G C 0.035 174.930 174.900 -0.010 0.000 1.060 444 G CA 0.531 45.620 45.100 -0.019 0.000 0.833 444 G HN 0.374 nan 8.290 nan 0.000 0.498 445 T N -3.060 111.491 114.554 -0.005 0.000 2.888 445 T HA 0.744 5.093 4.350 -0.001 0.000 0.288 445 T C -0.445 174.305 174.700 0.083 0.000 1.063 445 T CA -0.999 61.117 62.100 0.027 0.000 1.010 445 T CB 2.511 71.378 68.868 -0.002 0.000 1.214 445 T HN 1.031 nan 8.240 nan 0.000 0.533 446 L N 2.738 124.038 121.223 0.128 0.000 2.262 446 L HA 0.564 4.903 4.340 -0.001 0.000 0.288 446 L C 0.275 177.274 176.870 0.216 0.000 1.035 446 L CA 0.010 54.962 54.840 0.187 0.000 0.820 446 L CB 0.756 42.929 42.059 0.190 0.000 1.204 446 L HN 1.064 nan 8.230 nan 0.000 0.424 447 T N 3.243 117.911 114.554 0.189 0.000 2.867 447 T HA 0.791 5.140 4.350 -0.001 0.000 0.282 447 T C -0.125 174.648 174.700 0.122 0.000 1.000 447 T CA -0.585 61.609 62.100 0.157 0.000 1.042 447 T CB 1.205 70.156 68.868 0.138 0.000 0.973 447 T HN 0.439 nan 8.240 nan 0.000 0.465 448 I N 1.722 122.360 120.570 0.113 0.000 2.752 448 I HA 0.368 4.537 4.170 -0.001 0.000 0.295 448 I C -1.231 174.931 176.117 0.074 0.000 1.219 448 I CA -1.116 60.233 61.300 0.081 0.000 1.030 448 I CB 2.622 40.731 38.000 0.181 0.000 1.259 448 I HN 0.690 nan 8.210 nan 0.000 0.423 449 F N 4.951 124.843 119.950 -0.096 0.000 2.375 449 F HA 0.258 4.784 4.527 -0.001 0.000 0.362 449 F C 0.381 176.192 175.800 0.019 0.000 1.129 449 F CA -0.244 57.718 58.000 -0.064 0.000 1.154 449 F CB 0.481 39.365 39.000 -0.193 0.000 1.205 449 F HN 0.389 nan 8.300 nan 0.000 0.513 450 D N 5.183 125.525 120.400 -0.098 0.000 2.522 450 D HA 0.094 4.734 4.640 -0.001 0.000 0.218 450 D C 0.812 177.138 176.300 0.043 0.000 1.149 450 D CA -0.008 54.020 54.000 0.048 0.000 0.981 450 D CB 0.036 40.879 40.800 0.071 0.000 1.041 450 D HN 0.572 nan 8.370 nan 0.000 0.518 451 N N 2.055 120.908 118.700 0.256 0.000 2.021 451 N HA -0.104 4.636 4.740 -0.001 0.000 0.198 451 N C 1.576 177.231 175.510 0.241 0.000 1.041 451 N CA 1.998 55.235 53.050 0.311 0.000 0.862 451 N CB -0.194 38.441 38.487 0.246 0.000 1.048 451 N HN 0.577 nan 8.380 nan 0.000 0.427 452 G N -0.664 108.254 108.800 0.196 0.000 2.148 452 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.203 452 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.203 452 G C -0.571 174.384 174.900 0.093 0.000 0.993 452 G CA 0.059 45.196 45.100 0.062 0.000 0.661 452 G HN 0.507 nan 8.290 nan 0.000 0.518 453 D N 0.151 120.691 120.400 0.233 0.000 2.345 453 D HA 0.501 5.140 4.640 -0.001 0.000 0.247 453 D C 1.471 177.827 176.300 0.093 0.000 1.108 453 D CA 1.461 55.578 54.000 0.196 0.000 0.894 453 D CB 0.505 41.454 40.800 0.248 0.000 1.203 453 D HN 1.370 nan 8.370 nan 0.000 0.430 454 G N 3.002 111.817 108.800 0.026 0.000 2.249 454 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.273 454 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.273 454 G C 0.505 175.334 174.900 -0.118 0.000 1.036 454 G CA 0.520 45.617 45.100 -0.004 0.000 0.824 454 G HN 0.717 nan 8.290 nan 0.000 0.504 455 R N -0.288 120.001 120.500 -0.351 0.000 2.585 455 R HA 0.266 4.606 4.340 -0.001 0.000 0.275 455 R C 1.287 177.105 176.300 -0.803 0.000 1.018 455 R CA 0.460 55.968 56.100 -0.986 0.000 1.072 455 R CB -0.164 29.596 30.300 -0.900 0.000 0.953 455 R HN 0.677 nan 8.270 nan 0.000 0.419 456 H N 3.735 122.285 119.070 -0.866 0.000 2.731 456 H HA -0.198 4.357 4.556 -0.001 0.000 0.305 456 H C 0.067 175.382 175.328 -0.021 0.000 1.132 456 H CA 0.644 56.582 56.048 -0.185 0.000 1.148 456 H CB -1.343 28.365 29.762 -0.089 0.000 1.379 456 H HN 0.651 nan 8.280 nan 0.000 0.398 457 L N -1.584 119.686 121.223 0.079 0.000 3.717 457 L HA -0.298 4.041 4.340 -0.001 0.000 0.414 457 L C 0.516 177.416 176.870 0.051 0.000 1.228 457 L CA 1.522 56.426 54.840 0.108 0.000 0.918 457 L CB -1.680 40.464 42.059 0.142 0.000 1.865 457 L HN 0.760 nan 8.230 nan 0.000 0.922 458 E N -2.219 117.989 120.200 0.013 0.000 2.423 458 E HA 0.597 4.946 4.350 -0.001 0.000 0.280 458 E C -1.154 175.434 176.600 -0.020 0.000 1.030 458 E CA -1.226 55.176 56.400 0.003 0.000 0.812 458 E CB 1.149 30.857 29.700 0.015 0.000 1.313 458 E HN 0.027 nan 8.360 nan 0.000 0.456 459 Q N 1.365 121.155 119.800 -0.017 0.000 2.259 459 Q HA 0.370 4.710 4.340 -0.001 0.000 0.249 459 Q C -1.933 174.051 176.000 -0.026 0.000 0.914 459 Q CA -1.695 54.093 55.803 -0.026 0.000 0.904 459 Q CB 1.070 29.794 28.738 -0.023 0.000 1.213 459 Q HN 0.491 nan 8.270 nan 0.000 0.428 460 P HA 0.141 nan 4.420 nan 0.000 0.277 460 P C -0.127 177.156 177.300 -0.027 0.000 1.271 460 P CA -0.080 63.005 63.100 -0.026 0.000 0.795 460 P CB 0.682 32.361 31.700 -0.034 0.000 1.101 461 A N 0.839 123.646 122.820 -0.021 0.000 1.883 461 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 461 A C 1.275 178.839 177.584 -0.035 0.000 1.186 461 A CA 1.395 53.418 52.037 -0.024 0.000 0.624 461 A CB -0.914 18.074 19.000 -0.019 0.000 0.822 461 A HN 0.513 nan 8.150 nan 0.000 0.444 462 L N -2.642 118.555 121.223 -0.044 0.000 2.354 462 L HA 0.349 4.688 4.340 -0.001 0.000 0.264 462 L C -2.027 174.794 176.870 -0.082 0.000 1.008 462 L CA -2.141 52.662 54.840 -0.061 0.000 0.819 462 L CB 2.005 44.026 42.059 -0.064 0.000 1.339 462 L HN -0.092 nan 8.230 nan 0.000 0.420 463 P HA -0.139 nan 4.420 nan 0.000 0.215 463 P C 1.280 178.469 177.300 -0.185 0.000 1.153 463 P CA 1.232 64.262 63.100 -0.118 0.000 0.853 463 P CB 0.037 31.660 31.700 -0.129 0.000 0.788 464 T N -4.643 109.717 114.554 -0.323 0.000 3.215 464 T HA 0.087 4.437 4.350 -0.001 0.000 0.254 464 T C 0.925 175.529 174.700 -0.161 0.000 1.149 464 T CA 0.220 61.984 62.100 -0.560 0.000 1.042 464 T CB -1.147 67.340 68.868 -0.634 0.000 0.966 464 T HN -0.013 nan 8.240 nan 0.000 0.534 465 M N 1.913 121.459 119.600 -0.090 0.000 3.709 465 M HA 0.337 4.816 4.480 -0.001 0.000 0.202 465 M C -0.354 175.943 176.300 -0.006 0.000 1.360 465 M CA 0.155 55.447 55.300 -0.014 0.000 1.600 465 M CB -0.285 32.305 32.600 -0.017 0.000 1.061 465 M HN 0.093 nan 8.290 nan 0.000 0.575 466 K N 0.834 121.228 120.400 -0.009 0.000 2.469 466 K HA 0.650 4.969 4.320 -0.001 0.000 0.254 466 K C -1.497 175.068 176.600 -0.058 0.000 0.939 466 K CA -0.795 55.336 56.287 -0.260 0.000 0.812 466 K CB 2.724 34.717 32.500 -0.845 0.000 1.301 466 K HN 0.232 nan 8.250 nan 0.000 0.433 467 Y N -2.505 117.720 120.300 -0.126 0.000 2.609 467 Y HA 0.604 5.153 4.550 -0.001 0.000 0.336 467 Y C -0.978 175.029 175.900 0.179 0.000 1.129 467 Y CA -1.065 57.077 58.100 0.072 0.000 1.040 467 Y CB 1.383 39.857 38.460 0.023 0.000 1.310 467 Y HN 0.341 nan 8.280 nan 0.000 0.460 468 S N 1.497 117.414 115.700 0.362 0.000 2.664 468 S HA 0.766 5.236 4.470 -0.001 0.000 0.304 468 S C -0.924 173.774 174.600 0.163 0.000 1.099 468 S CA -1.168 57.133 58.200 0.169 0.000 1.003 468 S CB 1.429 64.680 63.200 0.084 0.000 1.092 468 S HN 0.620 nan 8.310 nan 0.000 0.525 469 R N 0.491 120.974 120.500 -0.028 0.000 2.673 469 R HA 0.419 4.759 4.340 -0.001 0.000 0.281 469 R C -1.623 174.714 176.300 0.061 0.000 0.991 469 R CA -0.672 55.452 56.100 0.040 0.000 0.896 469 R CB 1.074 31.417 30.300 0.071 0.000 1.201 469 R HN 0.406 nan 8.270 nan 0.000 0.457 470 F N 1.919 121.855 119.950 -0.024 0.000 2.445 470 F HA 0.331 4.858 4.527 -0.001 0.000 0.359 470 F C 0.528 176.433 175.800 0.176 0.000 1.101 470 F CA -0.917 57.148 58.000 0.109 0.000 1.177 470 F CB 0.947 40.193 39.000 0.410 0.000 1.110 470 F HN 0.074 nan 8.300 nan 0.000 0.522 471 V N 3.975 124.042 119.914 0.254 0.000 2.876 471 V HA 0.583 4.703 4.120 -0.001 0.000 0.312 471 V C -1.109 175.004 176.094 0.031 0.000 1.085 471 V CA -0.494 61.853 62.300 0.078 0.000 0.945 471 V CB 2.222 33.961 31.823 -0.140 0.000 1.017 471 V HN 0.852 nan 8.190 nan 0.000 0.428 472 E N 4.176 124.324 120.200 -0.086 0.000 2.272 472 E HA 0.548 4.897 4.350 -0.001 0.000 0.269 472 E C -2.202 174.245 176.600 -0.255 0.000 0.877 472 E CA -0.510 55.866 56.400 -0.040 0.000 0.755 472 E CB 2.218 31.981 29.700 0.105 0.000 1.192 472 E HN 0.689 nan 8.360 nan 0.000 0.422 473 Y N 1.528 121.851 120.300 0.038 0.000 2.536 473 Y HA 0.360 4.909 4.550 -0.001 0.000 0.347 473 Y C -0.161 175.736 175.900 -0.005 0.000 1.000 473 Y CA -1.005 57.097 58.100 0.003 0.000 1.051 473 Y CB 1.951 40.388 38.460 -0.039 0.000 1.259 473 Y HN 0.359 nan 8.280 nan 0.000 0.468 474 K N 3.252 123.750 120.400 0.164 0.000 2.235 474 K HA 0.657 4.977 4.320 -0.001 0.000 0.266 474 K C -1.644 174.968 176.600 0.021 0.000 0.980 474 K CA -0.275 56.054 56.287 0.070 0.000 0.849 474 K CB 0.680 33.212 32.500 0.053 0.000 1.098 474 K HN 0.734 nan 8.250 nan 0.000 0.445 475 I N 3.266 123.802 120.570 -0.056 0.000 2.406 475 I HA 0.144 4.314 4.170 -0.001 0.000 0.290 475 I C -0.697 175.347 176.117 -0.122 0.000 0.999 475 I CA -0.775 60.422 61.300 -0.171 0.000 1.124 475 I CB 1.760 39.524 38.000 -0.393 0.000 1.289 475 I HN 0.633 nan 8.210 nan 0.000 0.441 476 D N 6.470 126.802 120.400 -0.112 0.000 2.454 476 D HA 0.159 4.799 4.640 -0.001 0.000 0.225 476 D C 0.761 177.014 176.300 -0.079 0.000 1.081 476 D CA -0.110 53.849 54.000 -0.069 0.000 0.864 476 D CB 1.064 41.838 40.800 -0.043 0.000 1.040 476 D HN 0.525 nan 8.370 nan 0.000 0.517 477 E N 2.478 122.647 120.200 -0.051 0.000 2.107 477 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 477 E C 1.525 178.136 176.600 0.017 0.000 0.982 477 E CA 0.575 56.971 56.400 -0.007 0.000 0.809 477 E CB 0.445 30.194 29.700 0.082 0.000 0.756 477 E HN 0.396 nan 8.360 nan 0.000 0.459 478 K N 1.631 122.038 120.400 0.011 0.000 2.026 478 K HA -0.149 4.170 4.320 -0.001 0.000 0.208 478 K C 1.828 178.429 176.600 0.002 0.000 1.048 478 K CA 1.330 57.623 56.287 0.011 0.000 0.929 478 K CB 0.151 32.656 32.500 0.008 0.000 0.713 478 K HN -0.102 nan 8.250 nan 0.000 0.439 479 K N -0.911 119.483 120.400 -0.011 0.000 2.418 479 K HA 0.038 4.358 4.320 -0.001 0.000 0.195 479 K C 0.669 177.255 176.600 -0.023 0.000 1.035 479 K CA 0.664 56.942 56.287 -0.016 0.000 1.003 479 K CB 0.333 32.821 32.500 -0.020 0.000 0.793 479 K HN 0.485 nan 8.250 nan 0.000 0.494 480 G N 2.782 111.563 108.800 -0.030 0.000 2.198 480 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.257 480 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.257 480 G C 0.091 174.950 174.900 -0.068 0.000 1.042 480 G CA 0.683 45.759 45.100 -0.040 0.000 0.791 480 G HN 0.413 nan 8.290 nan 0.000 0.502 481 T N -3.498 111.004 114.554 -0.087 0.000 2.924 481 T HA 0.783 5.132 4.350 -0.001 0.000 0.291 481 T C -0.472 174.163 174.700 -0.107 0.000 1.045 481 T CA -0.439 61.610 62.100 -0.085 0.000 1.015 481 T CB 3.039 71.871 68.868 -0.059 0.000 1.103 481 T HN 1.448 nan 8.240 nan 0.000 0.496 482 V N 1.551 121.422 119.914 -0.072 0.000 2.638 482 V HA 0.616 4.735 4.120 -0.001 0.000 0.306 482 V C -1.220 174.971 176.094 0.162 0.000 1.052 482 V CA -0.604 61.697 62.300 0.002 0.000 0.885 482 V CB 1.692 33.499 31.823 -0.026 0.000 0.999 482 V HN 1.155 nan 8.190 nan 0.000 0.424 483 Q N 4.883 124.818 119.800 0.225 0.000 2.331 483 Q HA 0.463 4.802 4.340 -0.001 0.000 0.267 483 Q C -0.729 175.475 176.000 0.340 0.000 1.006 483 Q CA -0.559 55.412 55.803 0.280 0.000 0.818 483 Q CB 1.815 30.632 28.738 0.132 0.000 1.276 483 Q HN 0.846 nan 8.270 nan 0.000 0.450 484 Q N 3.114 123.112 119.800 0.331 0.000 2.296 484 Q HA 0.175 4.514 4.340 -0.001 0.000 0.263 484 Q C 0.225 176.199 176.000 -0.043 0.000 1.026 484 Q CA -0.122 55.618 55.803 -0.105 0.000 0.912 484 Q CB 0.914 29.419 28.738 -0.389 0.000 1.198 484 Q HN 0.698 nan 8.270 nan 0.000 0.407 485 V N 2.103 121.991 119.914 -0.043 0.000 3.528 485 V HA 0.451 4.570 4.120 -0.001 0.000 0.294 485 V C -0.480 175.709 176.094 0.157 0.000 1.404 485 V CA -0.318 62.020 62.300 0.063 0.000 1.065 485 V CB -0.374 31.510 31.823 0.101 0.000 0.904 485 V HN 0.763 nan 8.190 nan 0.000 0.435 486 W N 1.007 122.206 121.300 -0.168 0.000 3.901 486 W HA 0.564 5.223 4.660 -0.001 0.000 0.274 486 W C -1.378 175.045 176.519 -0.160 0.000 1.278 486 W CA -0.169 57.079 57.345 -0.161 0.000 1.235 486 W CB 1.095 30.474 29.460 -0.134 0.000 1.261 486 W HN 0.399 nan 8.180 nan 0.000 0.546 487 E N 3.146 123.081 120.200 -0.443 0.000 2.445 487 E HA 0.716 5.066 4.350 -0.001 0.000 0.279 487 E C -2.173 174.038 176.600 -0.648 0.000 1.018 487 E CA -1.196 55.001 56.400 -0.339 0.000 0.816 487 E CB 3.369 32.930 29.700 -0.231 0.000 1.356 487 E HN 0.391 nan 8.360 nan 0.000 0.462 488 Y N -0.550 119.469 120.300 -0.468 0.000 2.521 488 Y HA 0.469 5.018 4.550 -0.001 0.000 0.326 488 Y C 0.205 175.874 175.900 -0.384 0.000 1.176 488 Y CA 0.418 58.204 58.100 -0.523 0.000 1.079 488 Y CB 1.899 40.007 38.460 -0.588 0.000 1.341 488 Y HN 0.936 nan 8.280 nan 0.000 0.456 489 G N 4.438 112.556 108.800 -1.137 0.000 2.253 489 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.209 489 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.209 489 G C 1.099 175.736 174.900 -0.439 0.000 0.997 489 G CA 0.343 44.885 45.100 -0.929 0.000 0.640 489 G HN 0.851 nan 8.290 nan 0.000 0.496 490 K N 0.931 121.114 120.400 -0.362 0.000 2.152 490 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 490 K C 1.781 178.068 176.600 -0.522 0.000 1.048 490 K CA 1.990 58.031 56.287 -0.411 0.000 0.933 490 K CB -0.133 32.117 32.500 -0.416 0.000 0.721 490 K HN 0.371 nan 8.250 nan 0.000 0.447 491 E N 0.095 120.012 120.200 -0.471 0.000 2.502 491 E HA 0.019 4.369 4.350 -0.001 0.000 0.194 491 E C 1.178 177.582 176.600 -0.328 0.000 1.062 491 E CA 0.348 56.517 56.400 -0.385 0.000 0.867 491 E CB 0.313 29.794 29.700 -0.365 0.000 0.888 491 E HN 0.274 nan 8.360 nan 0.000 0.510 492 R N -0.022 120.261 120.500 -0.361 0.000 2.334 492 R HA 0.233 4.573 4.340 -0.001 0.000 0.216 492 R C 0.835 177.106 176.300 -0.049 0.000 0.905 492 R CA 0.398 56.322 56.100 -0.293 0.000 1.064 492 R CB 0.341 30.274 30.300 -0.611 0.000 1.046 492 R HN 0.177 nan 8.270 nan 0.000 0.508 493 G N 1.055 109.854 108.800 -0.001 0.000 2.645 493 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.246 493 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.246 493 G C 0.237 175.301 174.900 0.273 0.000 1.322 493 G CA 0.292 45.467 45.100 0.126 0.000 0.898 493 G HN 0.320 nan 8.290 nan 0.000 0.573 494 Y N 0.877 121.269 120.300 0.153 0.000 2.315 494 Y HA -0.077 4.472 4.550 -0.001 0.000 0.288 494 Y C 2.597 178.658 175.900 0.269 0.000 1.154 494 Y CA 2.538 60.768 58.100 0.216 0.000 1.229 494 Y CB -0.008 38.556 38.460 0.173 0.000 0.980 494 Y HN 0.459 nan 8.280 nan 0.000 0.540 495 D N -1.005 119.585 120.400 0.316 0.000 2.378 495 D HA -0.143 4.497 4.640 -0.001 0.000 0.222 495 D C 0.705 177.067 176.300 0.103 0.000 0.980 495 D CA 0.911 55.034 54.000 0.205 0.000 0.907 495 D CB -0.250 40.699 40.800 0.248 0.000 0.899 495 D HN 0.392 nan 8.370 nan 0.000 0.527 496 F N 0.006 119.939 119.950 -0.028 0.000 2.735 496 F HA 0.143 4.669 4.527 -0.001 0.000 0.308 496 F C -0.630 175.191 175.800 0.034 0.000 1.112 496 F CA -0.791 57.187 58.000 -0.036 0.000 1.235 496 F CB 0.203 39.175 39.000 -0.047 0.000 1.027 496 F HN -0.269 nan 8.300 nan 0.000 0.528 497 Y N 1.356 121.587 120.300 -0.114 0.000 2.383 497 Y HA 0.514 5.063 4.550 -0.001 0.000 0.344 497 Y C -0.338 175.428 175.900 -0.222 0.000 0.986 497 Y CA -0.952 57.066 58.100 -0.137 0.000 1.175 497 Y CB 0.770 39.113 38.460 -0.196 0.000 1.152 497 Y HN -0.065 nan 8.280 nan 0.000 0.511 498 S N 9.760 125.189 115.700 -0.452 0.000 2.474 498 S HA 0.223 4.692 4.470 -0.001 0.000 0.320 498 S C -1.838 172.326 174.600 -0.728 0.000 1.067 498 S CA -1.199 56.669 58.200 -0.552 0.000 1.127 498 S CB 1.088 64.077 63.200 -0.351 0.000 0.971 498 S HN 0.629 nan 8.310 nan 0.000 0.472 499 P HA -0.019 nan 4.420 nan 0.000 0.220 499 P C 0.383 177.563 177.300 -0.200 0.000 1.148 499 P CA 0.909 63.641 63.100 -0.614 0.000 0.803 499 P CB -0.168 31.355 31.700 -0.294 0.000 0.782 500 I N -6.387 114.053 120.570 -0.217 0.000 3.239 500 I HA 0.627 4.796 4.170 -0.001 0.000 0.314 500 I C 0.311 176.337 176.117 -0.151 0.000 1.126 500 I CA -0.764 60.475 61.300 -0.101 0.000 0.973 500 I CB 1.493 39.480 38.000 -0.022 0.000 1.252 500 I HN 0.019 nan 8.210 nan 0.000 0.463 501 T N 0.484 115.011 114.554 -0.046 0.000 0.572 501 T HA -0.182 4.167 4.350 -0.001 0.000 0.774 501 T C 0.263 174.719 174.700 -0.406 0.000 0.992 501 T CA 0.437 62.495 62.100 -0.070 0.000 4.077 501 T CB -2.136 66.775 68.868 0.072 0.000 2.303 501 T HN 2.607 nan 8.240 nan 0.000 0.398 502 S N -0.778 114.593 115.700 -0.547 0.000 3.913 502 S HA 0.320 4.789 4.470 -0.001 0.000 0.694 502 S C -0.729 173.404 174.600 -0.778 0.000 1.028 502 S CA -0.165 57.508 58.200 -0.879 0.000 1.147 502 S CB -1.052 61.018 63.200 -1.885 0.000 0.491 502 S HN 2.194 nan 8.310 nan 0.000 0.680 503 I N 1.442 121.589 120.570 -0.706 0.000 2.828 503 I HA 0.724 4.894 4.170 -0.001 0.000 0.295 503 I C -1.578 174.339 176.117 -0.332 0.000 1.459 503 I CA -0.932 60.103 61.300 -0.441 0.000 1.015 503 I CB 1.751 39.580 38.000 -0.285 0.000 1.345 503 I HN 1.026 nan 8.210 nan 0.000 0.449 504 I N 2.649 123.047 120.570 -0.287 0.000 3.108 504 I HA 0.779 4.949 4.170 -0.001 0.000 0.312 504 I C -1.250 174.867 176.117 -0.000 0.000 1.095 504 I CA -0.512 60.620 61.300 -0.282 0.000 1.000 504 I CB 2.348 40.117 38.000 -0.384 0.000 1.229 504 I HN 0.745 nan 8.210 nan 0.000 0.454 505 E N 2.158 122.451 120.200 0.156 0.000 2.406 505 E HA 0.197 4.546 4.350 -0.001 0.000 0.297 505 E C -2.137 174.617 176.600 0.256 0.000 0.917 505 E CA -0.648 55.944 56.400 0.320 0.000 0.795 505 E CB 1.790 31.775 29.700 0.476 0.000 1.285 505 E HN 0.660 nan 8.360 nan 0.000 0.400 506 Y N 3.741 124.093 120.300 0.087 0.000 2.526 506 Y HA 0.095 4.644 4.550 -0.001 0.000 0.330 506 Y C -0.500 175.410 175.900 0.016 0.000 1.156 506 Y CA 0.401 58.497 58.100 -0.006 0.000 1.419 506 Y CB 0.746 39.136 38.460 -0.118 0.000 1.250 506 Y HN 0.379 nan 8.280 nan 0.000 0.540 507 Q N 6.222 125.514 119.800 -0.846 0.000 2.425 507 Q HA 0.393 4.733 4.340 -0.001 0.000 0.254 507 Q C 0.591 175.986 176.000 -1.007 0.000 1.032 507 Q CA 0.097 55.510 55.803 -0.649 0.000 0.798 507 Q CB 1.565 30.151 28.738 -0.254 0.000 1.210 507 Q HN 0.942 nan 8.270 nan 0.000 0.491 508 A N 3.163 125.554 122.820 -0.715 0.000 2.015 508 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 508 A C 1.464 178.939 177.584 -0.182 0.000 1.163 508 A CA 1.781 53.622 52.037 -0.327 0.000 0.646 508 A CB -0.086 18.913 19.000 -0.002 0.000 0.806 508 A HN 0.687 nan 8.150 nan 0.000 0.448 509 D N -0.518 119.775 120.400 -0.179 0.000 2.178 509 D HA -0.155 4.485 4.640 -0.001 0.000 0.202 509 D C 1.513 177.753 176.300 -0.100 0.000 0.974 509 D CA 1.201 55.129 54.000 -0.119 0.000 0.841 509 D CB -0.345 40.378 40.800 -0.128 0.000 0.953 509 D HN 0.501 nan 8.370 nan 0.000 0.478 510 R N -1.099 119.343 120.500 -0.097 0.000 2.572 510 R HA 0.143 4.483 4.340 -0.001 0.000 0.370 510 R C -0.273 176.075 176.300 0.079 0.000 1.005 510 R CA -0.188 55.895 56.100 -0.027 0.000 1.146 510 R CB -0.027 30.206 30.300 -0.113 0.000 1.390 510 R HN -0.052 nan 8.270 nan 0.000 0.553 511 N N 1.892 120.583 118.700 -0.015 0.000 2.725 511 N HA -0.155 4.584 4.740 -0.001 0.000 0.251 511 N C -1.067 174.538 175.510 0.158 0.000 1.031 511 N CA 1.262 54.347 53.050 0.059 0.000 0.720 511 N CB -0.659 37.928 38.487 0.167 0.000 0.930 511 N HN 0.429 nan 8.380 nan 0.000 0.543 512 T N -2.858 111.713 114.554 0.027 0.000 2.942 512 T HA 0.645 4.994 4.350 -0.001 0.000 0.289 512 T C 0.163 174.917 174.700 0.090 0.000 1.044 512 T CA -1.031 61.158 62.100 0.150 0.000 1.023 512 T CB 1.730 70.733 68.868 0.225 0.000 1.123 512 T HN 0.171 nan 8.240 nan 0.000 0.512 513 M N 2.958 122.668 119.600 0.183 0.000 2.088 513 M HA 0.555 5.035 4.480 -0.001 0.000 0.346 513 M C -1.201 175.256 176.300 0.262 0.000 1.111 513 M CA -1.709 53.696 55.300 0.174 0.000 1.017 513 M CB 0.006 32.645 32.600 0.065 0.000 1.568 513 M HN 0.677 nan 8.290 nan 0.000 0.445 514 F N 4.163 124.172 119.950 0.099 0.000 2.389 514 F HA 0.760 5.286 4.527 -0.001 0.000 0.337 514 F C 0.182 175.997 175.800 0.024 0.000 1.112 514 F CA -0.057 58.014 58.000 0.118 0.000 1.192 514 F CB 0.762 39.838 39.000 0.126 0.000 1.185 514 F HN 0.618 nan 8.300 nan 0.000 0.552 515 G N 4.304 112.500 108.800 -1.006 0.000 2.718 515 G HA2 0.509 4.468 3.960 -0.001 0.000 0.295 515 G HA3 0.509 4.468 3.960 -0.001 0.000 0.295 515 G C -2.505 171.950 174.900 -0.742 0.000 1.421 515 G CA -0.648 43.880 45.100 -0.954 0.000 0.902 515 G HN 0.655 nan 8.290 nan 0.000 0.501 516 F N 1.915 121.469 119.950 -0.660 0.000 2.659 516 F HA 0.639 5.165 4.527 -0.001 0.000 0.342 516 F C 0.275 175.844 175.800 -0.385 0.000 1.168 516 F CA -0.851 56.898 58.000 -0.419 0.000 1.003 516 F CB 1.786 40.577 39.000 -0.349 0.000 1.267 516 F HN 0.679 nan 8.300 nan 0.000 0.463 517 G N 2.826 111.195 108.800 -0.718 0.000 2.327 517 G HA2 0.426 4.386 3.960 -0.001 0.000 0.302 517 G HA3 0.426 4.386 3.960 -0.001 0.000 0.302 517 G C 0.660 174.951 174.900 -1.014 0.000 1.113 517 G CA -0.161 44.510 45.100 -0.714 0.000 0.921 517 G HN 1.006 nan 8.290 nan 0.000 0.425 518 G N 0.661 108.969 108.800 -0.819 0.000 2.838 518 G HA2 0.200 4.159 3.960 -0.001 0.000 0.210 518 G HA3 0.200 4.159 3.960 -0.001 0.000 0.210 518 G C 1.017 175.779 174.900 -0.231 0.000 1.153 518 G CA 0.735 45.508 45.100 -0.545 0.000 0.778 518 G HN 0.974 nan 8.290 nan 0.000 0.539 519 S N -0.164 115.339 115.700 -0.329 0.000 2.977 519 S HA 0.397 4.866 4.470 -0.001 0.000 0.250 519 S C 0.122 174.512 174.600 -0.351 0.000 1.005 519 S CA -0.582 57.448 58.200 -0.284 0.000 1.081 519 S CB -0.257 62.759 63.200 -0.307 0.000 1.018 519 S HN 0.115 nan 8.310 nan 0.000 0.539 520 I N 2.830 123.187 120.570 -0.354 0.000 2.683 520 I HA 0.084 4.254 4.170 -0.001 0.000 0.286 520 I C 0.942 176.881 176.117 -0.295 0.000 1.175 520 I CA 0.359 61.406 61.300 -0.421 0.000 1.429 520 I CB -0.311 37.407 38.000 -0.470 0.000 1.371 520 I HN 0.614 nan 8.210 nan 0.000 0.569 521 H N 2.654 121.637 119.070 -0.145 0.000 2.899 521 H HA -0.194 4.362 4.556 -0.001 0.000 0.282 521 H C 1.185 176.472 175.328 -0.068 0.000 1.198 521 H CA 0.146 56.178 56.048 -0.027 0.000 1.140 521 H CB -0.969 28.816 29.762 0.039 0.000 1.317 521 H HN 0.589 nan 8.280 nan 0.000 0.375 522 L N -0.346 120.781 121.223 -0.160 0.000 2.081 522 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 522 L C 1.647 178.407 176.870 -0.183 0.000 1.080 522 L CA 1.954 56.611 54.840 -0.304 0.000 0.754 522 L CB -0.338 41.328 42.059 -0.654 0.000 0.893 522 L HN 0.297 nan 8.230 nan 0.000 0.433 523 F N -0.874 119.175 119.950 0.164 0.000 2.797 523 F HA 0.141 4.668 4.527 -0.001 0.000 0.302 523 F C 0.602 176.494 175.800 0.154 0.000 1.130 523 F CA -0.711 57.392 58.000 0.173 0.000 1.387 523 F CB -0.688 38.452 39.000 0.234 0.000 1.107 523 F HN 0.029 nan 8.300 nan 0.000 0.577 524 D N 1.268 121.845 120.400 0.295 0.000 2.441 524 D HA 0.073 4.713 4.640 -0.001 0.000 0.243 524 D C 0.183 176.568 176.300 0.142 0.000 1.257 524 D CA 0.192 54.304 54.000 0.186 0.000 1.027 524 D CB 0.277 41.138 40.800 0.101 0.000 1.084 524 D HN -0.185 nan 8.370 nan 0.000 0.514 525 V N 2.084 122.084 119.914 0.143 0.000 2.583 525 V HA 0.147 4.266 4.120 -0.001 0.000 0.302 525 V C 1.771 177.913 176.094 0.081 0.000 1.033 525 V CA 1.495 63.861 62.300 0.110 0.000 1.194 525 V CB 0.249 32.128 31.823 0.093 0.000 0.879 525 V HN 0.923 nan 8.190 nan 0.000 0.482 526 G N 3.528 112.374 108.800 0.077 0.000 2.175 526 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.244 526 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.244 526 G C 0.074 175.008 174.900 0.057 0.000 0.982 526 G CA -0.069 45.068 45.100 0.061 0.000 0.641 526 G HN 0.612 nan 8.290 nan 0.000 0.527 527 Q N 0.881 120.720 119.800 0.064 0.000 2.235 527 Q HA 0.509 4.848 4.340 -0.001 0.000 0.256 527 Q C -2.263 173.775 176.000 0.064 0.000 0.951 527 Q CA -2.241 53.597 55.803 0.059 0.000 0.890 527 Q CB 1.840 30.609 28.738 0.052 0.000 1.279 527 Q HN 0.282 nan 8.270 nan 0.000 0.444 528 P HA -0.002 nan 4.420 nan 0.000 0.268 528 P C -0.505 176.838 177.300 0.071 0.000 1.208 528 P CA 0.079 63.210 63.100 0.051 0.000 0.777 528 P CB 0.472 32.207 31.700 0.058 0.000 0.875 529 T N 1.230 115.803 114.554 0.032 0.000 2.909 529 T HA 0.296 4.645 4.350 -0.001 0.000 0.286 529 T C 0.132 174.926 174.700 0.157 0.000 1.002 529 T CA -0.413 61.703 62.100 0.028 0.000 1.074 529 T CB 0.748 69.546 68.868 -0.117 0.000 0.984 529 T HN 0.082 nan 8.240 nan 0.000 0.495 530 V N 2.285 122.256 119.914 0.096 0.000 2.394 530 V HA 0.618 4.737 4.120 -0.001 0.000 0.282 530 V C 0.724 176.784 176.094 -0.057 0.000 1.031 530 V CA -0.679 61.654 62.300 0.054 0.000 0.881 530 V CB 1.480 33.276 31.823 -0.045 0.000 0.982 530 V HN 1.055 nan 8.190 nan 0.000 0.451 531 G N 3.932 112.586 108.800 -0.244 0.000 2.415 531 G HA2 0.483 4.442 3.960 -0.001 0.000 0.317 531 G HA3 0.483 4.442 3.960 -0.001 0.000 0.317 531 G C -0.507 174.113 174.900 -0.465 0.000 1.152 531 G CA -0.508 44.193 45.100 -0.665 0.000 0.956 531 G HN 0.631 nan 8.290 nan 0.000 0.458 532 K N 3.921 123.962 120.400 -0.598 0.000 2.316 532 K HA 0.410 4.730 4.320 -0.001 0.000 0.267 532 K C -0.313 176.213 176.600 -0.123 0.000 1.025 532 K CA -0.642 55.500 56.287 -0.241 0.000 0.896 532 K CB 0.697 33.094 32.500 -0.171 0.000 1.124 532 K HN 0.348 nan 8.250 nan 0.000 0.451 533 L N 4.100 125.363 121.223 0.067 0.000 2.319 533 L HA 0.289 4.629 4.340 -0.001 0.000 0.280 533 L C -0.248 176.636 176.870 0.023 0.000 1.099 533 L CA -0.222 54.664 54.840 0.076 0.000 0.828 533 L CB 0.948 42.955 42.059 -0.087 0.000 1.150 533 L HN 0.718 nan 8.230 nan 0.000 0.442 534 N N 1.969 120.700 118.700 0.053 0.000 2.235 534 N HA 0.396 5.135 4.740 -0.001 0.000 0.293 534 N C -1.530 174.106 175.510 0.210 0.000 1.083 534 N CA -0.776 52.363 53.050 0.148 0.000 0.801 534 N CB 2.129 40.809 38.487 0.322 0.000 1.559 534 N HN 0.520 nan 8.380 nan 0.000 0.472 535 E N 2.029 122.333 120.200 0.173 0.000 2.218 535 E HA 0.405 4.754 4.350 -0.001 0.000 0.263 535 E C -0.983 175.633 176.600 0.028 0.000 0.879 535 E CA -0.655 55.859 56.400 0.190 0.000 0.762 535 E CB 1.962 31.790 29.700 0.213 0.000 1.166 535 E HN 0.293 nan 8.360 nan 0.000 0.415 536 I N 2.401 123.010 120.570 0.065 0.000 2.406 536 I HA 0.132 4.301 4.170 -0.001 0.000 0.290 536 I C 0.208 176.393 176.117 0.112 0.000 0.999 536 I CA -0.750 60.526 61.300 -0.039 0.000 1.124 536 I CB 1.412 39.272 38.000 -0.233 0.000 1.289 536 I HN 0.563 nan 8.210 nan 0.000 0.441 537 D N 4.719 125.169 120.400 0.083 0.000 2.434 537 D HA -0.143 4.496 4.640 -0.001 0.000 0.252 537 D C 0.722 177.212 176.300 0.316 0.000 1.185 537 D CA 0.312 54.419 54.000 0.180 0.000 0.886 537 D CB 0.888 41.763 40.800 0.126 0.000 1.148 537 D HN 0.516 nan 8.370 nan 0.000 0.483 538 Y N 4.863 125.305 120.300 0.236 0.000 2.224 538 Y HA -0.179 4.371 4.550 -0.001 0.000 0.289 538 Y C 2.359 178.512 175.900 0.421 0.000 1.146 538 Y CA 1.705 59.978 58.100 0.290 0.000 1.182 538 Y CB 0.202 38.733 38.460 0.119 0.000 0.983 538 Y HN 0.445 nan 8.280 nan 0.000 0.524 539 K N -1.012 119.591 120.400 0.338 0.000 2.044 539 K HA -0.097 4.223 4.320 -0.001 0.000 0.204 539 K C 1.967 178.646 176.600 0.131 0.000 1.049 539 K CA 1.720 58.140 56.287 0.221 0.000 0.945 539 K CB -0.159 32.464 32.500 0.205 0.000 0.724 539 K HN 0.414 nan 8.250 nan 0.000 0.440 540 T N -2.218 112.409 114.554 0.123 0.000 3.022 540 T HA 0.165 4.515 4.350 -0.001 0.000 0.250 540 T C 0.319 175.039 174.700 0.033 0.000 1.060 540 T CA -0.205 61.933 62.100 0.064 0.000 1.013 540 T CB 0.292 69.197 68.868 0.061 0.000 0.982 540 T HN 0.116 nan 8.240 nan 0.000 0.508 541 K N 0.720 121.157 120.400 0.060 0.000 3.407 541 K HA -0.178 4.141 4.320 -0.001 0.000 0.312 541 K C 0.063 176.656 176.600 -0.013 0.000 1.302 541 K CA 0.989 57.283 56.287 0.012 0.000 0.931 541 K CB -2.061 30.414 32.500 -0.042 0.000 1.257 541 K HN 0.845 nan 8.250 nan 0.000 0.454 542 E N 1.367 121.568 120.200 0.001 0.000 2.384 542 E HA 0.151 4.501 4.350 -0.001 0.000 0.266 542 E C -0.321 176.240 176.600 -0.065 0.000 1.012 542 E CA -0.248 56.141 56.400 -0.019 0.000 0.901 542 E CB 0.757 30.457 29.700 -0.001 0.000 0.967 542 E HN 0.028 nan 8.360 nan 0.000 0.435 543 V N 6.811 126.684 119.914 -0.068 0.000 2.403 543 V HA -0.026 4.093 4.120 -0.001 0.000 0.265 543 V C 1.017 177.032 176.094 -0.131 0.000 1.034 543 V CA 0.051 62.295 62.300 -0.093 0.000 1.036 543 V CB 0.545 32.342 31.823 -0.043 0.000 1.032 543 V HN 0.668 nan 8.190 nan 0.000 0.478 544 K N 3.816 124.069 120.400 -0.245 0.000 2.166 544 K HA 0.203 4.522 4.320 -0.001 0.000 0.201 544 K C 0.220 176.609 176.600 -0.352 0.000 1.052 544 K CA 0.704 56.703 56.287 -0.479 0.000 0.969 544 K CB 0.374 32.173 32.500 -1.168 0.000 0.761 544 K HN 0.477 nan 8.250 nan 0.000 0.459 545 V N 1.213 121.012 119.914 -0.191 0.000 2.709 545 V HA 0.351 4.471 4.120 -0.001 0.000 0.308 545 V C -1.154 174.948 176.094 0.014 0.000 1.062 545 V CA -0.990 61.298 62.300 -0.021 0.000 0.901 545 V CB 2.380 34.268 31.823 0.108 0.000 1.003 545 V HN 0.142 nan 8.190 nan 0.000 0.425 546 E N 3.942 124.164 120.200 0.036 0.000 2.287 546 E HA 0.704 5.053 4.350 -0.001 0.000 0.274 546 E C -1.878 174.754 176.600 0.053 0.000 0.896 546 E CA -0.418 56.013 56.400 0.052 0.000 0.788 546 E CB 1.679 31.417 29.700 0.064 0.000 1.244 546 E HN 0.690 nan 8.360 nan 0.000 0.408 547 I N 3.052 123.645 120.570 0.039 0.000 2.569 547 I HA 0.359 4.528 4.170 -0.001 0.000 0.290 547 I C -1.004 175.148 176.117 0.058 0.000 1.088 547 I CA -1.063 60.270 61.300 0.057 0.000 1.047 547 I CB 2.103 40.138 38.000 0.059 0.000 1.237 547 I HN 0.433 nan 8.210 nan 0.000 0.421 548 D N 4.787 125.229 120.400 0.070 0.000 2.163 548 D HA 0.517 5.156 4.640 -0.001 0.000 0.248 548 D C -0.626 175.723 176.300 0.082 0.000 1.035 548 D CA -0.133 53.900 54.000 0.054 0.000 0.872 548 D CB 2.593 43.427 40.800 0.057 0.000 1.183 548 D HN 0.030 nan 8.370 nan 0.000 0.445 549 V N 2.793 122.737 119.914 0.050 0.000 2.459 549 V HA 0.409 4.529 4.120 -0.001 0.000 0.295 549 V C -0.467 175.668 176.094 0.068 0.000 1.029 549 V CA -0.790 61.557 62.300 0.080 0.000 0.874 549 V CB 1.577 33.438 31.823 0.063 0.000 0.985 549 V HN 0.306 nan 8.190 nan 0.000 0.438 550 L N 4.122 125.428 121.223 0.138 0.000 2.313 550 L HA 0.542 4.882 4.340 -0.001 0.000 0.283 550 L C 0.628 177.589 176.870 0.152 0.000 1.013 550 L CA 0.213 55.149 54.840 0.159 0.000 0.816 550 L CB 2.048 44.168 42.059 0.102 0.000 1.236 550 L HN 0.846 nan 8.230 nan 0.000 0.419 551 S N 0.330 116.118 115.700 0.146 0.000 2.584 551 S HA 0.091 4.561 4.470 -0.001 0.000 0.270 551 S C 0.677 175.229 174.600 -0.081 0.000 1.346 551 S CA -0.150 58.033 58.200 -0.028 0.000 1.018 551 S CB 0.558 63.632 63.200 -0.211 0.000 0.899 551 S HN 0.728 nan 8.310 nan 0.000 0.542 552 D N 0.082 120.383 120.400 -0.166 0.000 2.339 552 D HA 0.111 4.750 4.640 -0.001 0.000 0.217 552 D C -0.028 176.237 176.300 -0.058 0.000 1.050 552 D CA 0.134 54.067 54.000 -0.112 0.000 0.856 552 D CB 0.072 40.783 40.800 -0.148 0.000 0.922 552 D HN 0.527 nan 8.370 nan 0.000 0.518 553 K N 0.543 120.897 120.400 -0.076 0.000 2.477 553 K HA 0.469 4.788 4.320 -0.001 0.000 0.255 553 K C -2.950 173.649 176.600 -0.001 0.000 0.952 553 K CA -2.126 54.159 56.287 -0.004 0.000 0.826 553 K CB 2.546 35.077 32.500 0.051 0.000 1.331 553 K HN -0.213 nan 8.250 nan 0.000 0.437 554 P HA 0.073 nan 4.420 nan 0.000 0.271 554 P C -1.067 176.300 177.300 0.112 0.000 1.218 554 P CA -0.059 63.083 63.100 0.071 0.000 0.780 554 P CB 0.125 31.875 31.700 0.084 0.000 0.901 555 N N -0.838 117.907 118.700 0.074 0.000 2.714 555 N HA -0.237 4.503 4.740 -0.001 0.000 0.253 555 N C -0.439 175.163 175.510 0.153 0.000 1.024 555 N CA 0.537 53.646 53.050 0.097 0.000 0.726 555 N CB -1.384 37.188 38.487 0.142 0.000 0.908 555 N HN 0.552 nan 8.380 nan 0.000 0.542 556 Q N 0.715 120.480 119.800 -0.059 0.000 2.397 556 Q HA 0.284 4.623 4.340 -0.001 0.000 0.260 556 Q C -0.685 175.090 176.000 -0.376 0.000 1.002 556 Q CA -0.414 55.193 55.803 -0.327 0.000 0.716 556 Q CB 1.243 29.586 28.738 -0.658 0.000 1.258 556 Q HN 0.273 nan 8.270 nan 0.000 0.477 557 T N 2.239 116.656 114.554 -0.229 0.000 2.856 557 T HA 0.141 4.490 4.350 -0.001 0.000 0.306 557 T C -0.216 174.341 174.700 -0.239 0.000 1.062 557 T CA 0.021 61.994 62.100 -0.211 0.000 1.083 557 T CB 0.320 69.164 68.868 -0.039 0.000 0.984 557 T HN 0.506 nan 8.240 nan 0.000 0.542 558 H N 1.862 120.998 119.070 0.110 0.000 2.544 558 H HA 0.270 4.826 4.556 -0.001 0.000 0.342 558 H C -0.086 175.450 175.328 0.347 0.000 1.185 558 H CA -0.492 55.715 56.048 0.266 0.000 1.264 558 H CB 1.078 31.061 29.762 0.367 0.000 1.607 558 H HN 0.735 nan 8.280 nan 0.000 0.550 559 Y N 0.570 121.128 120.300 0.429 0.000 2.624 559 Y HA 0.300 4.850 4.550 -0.001 0.000 0.260 559 Y C 0.230 176.292 175.900 0.271 0.000 1.090 559 Y CA 0.455 58.727 58.100 0.288 0.000 1.347 559 Y CB 0.855 39.496 38.460 0.302 0.000 1.349 559 Y HN 0.432 nan 8.280 nan 0.000 0.502 560 R N -0.517 119.954 120.500 -0.049 0.000 2.795 560 R HA 0.740 5.079 4.340 -0.001 0.000 0.268 560 R C -1.696 174.334 176.300 -0.451 0.000 1.041 560 R CA -0.627 55.340 56.100 -0.222 0.000 0.927 560 R CB 1.900 32.021 30.300 -0.299 0.000 1.235 560 R HN 0.215 nan 8.270 nan 0.000 0.463 561 A N 0.903 123.461 122.820 -0.438 0.000 2.587 561 A HA 0.776 5.095 4.320 -0.001 0.000 0.293 561 A C -1.909 175.718 177.584 0.071 0.000 1.087 561 A CA -0.549 51.252 52.037 -0.395 0.000 0.692 561 A CB 1.478 20.027 19.000 -0.751 0.000 1.291 561 A HN 0.315 nan 8.150 nan 0.000 0.407 562 L N 0.334 121.566 121.223 0.014 0.000 2.401 562 L HA 0.545 4.884 4.340 -0.001 0.000 0.266 562 L C -0.439 176.289 176.870 -0.236 0.000 0.991 562 L CA -0.198 54.632 54.840 -0.017 0.000 0.818 562 L CB 1.943 43.977 42.059 -0.042 0.000 1.321 562 L HN 0.699 nan 8.230 nan 0.000 0.413 563 L N 4.108 125.030 121.223 -0.503 0.000 2.283 563 L HA 0.511 4.851 4.340 -0.001 0.000 0.287 563 L C -0.389 176.271 176.870 -0.351 0.000 1.073 563 L CA -0.617 53.887 54.840 -0.561 0.000 0.822 563 L CB 0.646 42.264 42.059 -0.735 0.000 1.186 563 L HN 0.560 nan 8.230 nan 0.000 0.436 564 V N 2.781 122.491 119.914 -0.341 0.000 2.612 564 V HA 0.622 4.741 4.120 -0.001 0.000 0.301 564 V C -0.237 175.685 176.094 -0.287 0.000 1.046 564 V CA -0.821 61.316 62.300 -0.273 0.000 0.946 564 V CB 1.730 33.379 31.823 -0.290 0.000 1.003 564 V HN 0.747 nan 8.190 nan 0.000 0.459 565 R N 3.343 123.679 120.500 -0.272 0.000 2.422 565 R HA 0.392 4.731 4.340 -0.001 0.000 0.307 565 R C -2.318 173.801 176.300 -0.302 0.000 1.004 565 R CA -1.608 54.343 56.100 -0.249 0.000 0.882 565 R CB 2.034 32.207 30.300 -0.212 0.000 1.164 565 R HN 0.501 nan 8.270 nan 0.000 0.489 566 P HA -0.273 nan 4.420 nan 0.000 0.218 566 P C 1.116 178.248 177.300 -0.279 0.000 1.146 566 P CA 1.184 64.047 63.100 -0.395 0.000 0.820 566 P CB 0.310 31.963 31.700 -0.078 0.000 0.778 567 Q N -0.473 119.257 119.800 -0.116 0.000 2.488 567 Q HA -0.117 4.222 4.340 -0.001 0.000 0.211 567 Q C 1.304 177.239 176.000 -0.109 0.000 0.967 567 Q CA 1.292 57.077 55.803 -0.030 0.000 0.926 567 Q CB -0.510 28.227 28.738 -0.002 0.000 0.992 567 Q HN 0.408 nan 8.270 nan 0.000 0.506 568 Q N -0.547 119.118 119.800 -0.225 0.000 2.281 568 Q HA 0.275 4.615 4.340 -0.001 0.000 0.215 568 Q C 1.797 177.569 176.000 -0.380 0.000 0.867 568 Q CA -0.081 55.569 55.803 -0.256 0.000 0.940 568 Q CB 0.364 28.943 28.738 -0.264 0.000 1.111 568 Q HN 0.342 nan 8.270 nan 0.000 0.513 569 M N -0.220 119.027 119.600 -0.587 0.000 2.200 569 M HA -0.002 4.477 4.480 -0.001 0.000 0.265 569 M C -0.302 175.406 176.300 -0.988 0.000 1.066 569 M CA 1.241 55.955 55.300 -0.976 0.000 1.127 569 M CB 0.450 32.092 32.600 -1.597 0.000 1.379 569 M HN 0.034 nan 8.290 nan 0.000 0.420 570 F N 1.558 121.424 119.950 -0.141 0.000 2.453 570 F HA 0.313 4.840 4.527 -0.001 0.000 0.358 570 F C 0.443 176.243 175.800 0.001 0.000 1.129 570 F CA -1.598 56.397 58.000 -0.009 0.000 1.200 570 F CB -0.005 39.035 39.000 0.067 0.000 1.431 570 F HN -0.046 nan 8.300 nan 0.000 0.503 571 K N 0.000 120.442 120.400 0.070 0.000 2.780 571 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 571 K CA 0.000 56.304 56.287 0.028 0.000 0.838 571 K CB 0.000 32.475 32.500 -0.041 0.000 1.064 571 K HN 0.000 nan 8.250 nan 0.000 0.543