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 1n5m_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXGNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL S 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.021 0.000 1.382 1 E CA 0.000 56.417 56.400 0.028 0.000 0.976 1 E CB 0.000 29.720 29.700 0.033 0.000 0.812 2 G N -0.175 108.638 108.800 0.021 0.000 2.541 2 G HA2 -0.180 3.786 3.960 0.009 0.000 0.201 2 G HA3 -0.180 3.786 3.960 0.009 0.000 0.201 2 G C 1.013 175.923 174.900 0.017 0.000 1.026 2 G CA 0.238 45.348 45.100 0.017 0.000 0.687 2 G HN 0.281 nan 8.290 nan 0.000 0.492 3 R N 1.169 121.679 120.500 0.017 0.000 2.335 3 R HA 0.279 4.625 4.340 0.009 0.000 0.210 3 R C 0.524 176.835 176.300 0.018 0.000 0.892 3 R CA 1.032 57.142 56.100 0.015 0.000 1.048 3 R CB 0.356 30.663 30.300 0.011 0.000 1.067 3 R HN 0.663 nan 8.270 nan 0.000 0.524 4 E N 0.273 120.486 120.200 0.022 0.000 2.302 4 E HA 0.106 4.461 4.350 0.009 0.000 0.255 4 E C -0.431 176.191 176.600 0.037 0.000 1.099 4 E CA -0.792 55.623 56.400 0.026 0.000 0.929 4 E CB 0.404 30.120 29.700 0.026 0.000 1.203 4 E HN -0.239 nan 8.360 nan 0.000 0.459 5 D N 1.752 122.181 120.400 0.048 0.000 2.368 5 D HA -0.012 4.633 4.640 0.009 0.000 0.268 5 D C -1.296 175.049 176.300 0.075 0.000 1.298 5 D CA -1.694 52.351 54.000 0.074 0.000 0.938 5 D CB 0.636 41.499 40.800 0.105 0.000 1.101 5 D HN 0.182 nan 8.370 nan 0.000 0.509 6 P HA -0.176 nan 4.420 nan 0.000 0.221 6 P C 0.599 177.925 177.300 0.043 0.000 1.145 6 P CA 1.051 64.177 63.100 0.043 0.000 0.795 6 P CB 0.300 32.015 31.700 0.025 0.000 0.775 7 Q N -0.739 119.089 119.800 0.046 0.000 2.365 7 Q HA 0.170 4.515 4.340 0.009 0.000 0.203 7 Q C 1.554 177.625 176.000 0.118 0.000 0.929 7 Q CA 0.226 56.034 55.803 0.008 0.000 0.948 7 Q CB -0.069 28.568 28.738 -0.168 0.000 1.043 7 Q HN 0.359 nan 8.270 nan 0.000 0.505 8 L N 0.285 121.608 121.223 0.166 0.000 2.808 8 L HA 0.272 4.617 4.340 0.009 0.000 0.246 8 L C -0.274 176.785 176.870 0.314 0.000 1.153 8 L CA -0.067 54.913 54.840 0.234 0.000 0.956 8 L CB 0.560 42.680 42.059 0.102 0.000 1.270 8 L HN 0.118 nan 8.230 nan 0.000 0.528 9 L N 0.654 122.002 121.223 0.208 0.000 2.287 9 L HA 0.592 4.938 4.340 0.009 0.000 0.287 9 L C -0.640 176.278 176.870 0.081 0.000 1.022 9 L CA -0.492 54.446 54.840 0.162 0.000 0.814 9 L CB 1.862 43.977 42.059 0.093 0.000 1.217 9 L HN -0.243 nan 8.230 nan 0.000 0.420 10 V N 3.110 123.049 119.914 0.041 0.000 3.007 10 V HA 0.530 4.655 4.120 0.009 0.000 0.311 10 V C -0.589 175.431 176.094 -0.122 0.000 1.120 10 V CA -0.769 61.420 62.300 -0.186 0.000 0.980 10 V CB 2.917 34.370 31.823 -0.616 0.000 1.033 10 V HN 0.754 nan 8.190 nan 0.000 0.429 11 R N 2.045 122.435 120.500 -0.183 0.000 2.562 11 R HA 0.850 5.196 4.340 0.009 0.000 0.298 11 R C -1.107 175.101 176.300 -0.155 0.000 0.961 11 R CA -0.348 55.688 56.100 -0.106 0.000 0.881 11 R CB 1.942 32.184 30.300 -0.097 0.000 1.159 11 R HN 0.701 nan 8.270 nan 0.000 0.450 12 V N 1.599 121.479 119.914 -0.056 0.000 3.158 12 V HA 0.509 4.634 4.120 0.009 0.000 0.315 12 V C 1.130 177.152 176.094 -0.120 0.000 1.148 12 V CA -1.052 61.208 62.300 -0.066 0.000 1.042 12 V CB 1.682 33.612 31.823 0.178 0.000 1.101 12 V HN 0.856 nan 8.190 nan 0.000 0.448 13 R N 1.758 122.169 120.500 -0.149 0.000 2.153 13 R HA -0.096 4.250 4.340 0.009 0.000 0.252 13 R C 1.774 177.946 176.300 -0.212 0.000 1.158 13 R CA 2.575 58.584 56.100 -0.152 0.000 0.975 13 R CB -1.190 29.037 30.300 -0.121 0.000 0.871 13 R HN 1.072 nan 8.270 nan 0.000 0.450 14 G N -2.175 106.459 108.800 -0.277 0.000 2.777 14 G HA2 0.389 4.354 3.960 0.009 0.000 0.211 14 G HA3 0.389 4.354 3.960 0.009 0.000 0.211 14 G C 0.333 174.329 174.900 -1.506 0.000 1.149 14 G CA 0.383 45.051 45.100 -0.720 0.000 0.785 14 G HN 0.744 nan 8.290 nan 0.000 0.536 15 G N -1.187 107.014 108.800 -0.998 0.000 2.350 15 G HA2 0.197 4.163 3.960 0.009 0.000 0.282 15 G HA3 0.197 4.163 3.960 0.009 0.000 0.282 15 G C -1.299 173.534 174.900 -0.112 0.000 1.314 15 G CA -0.975 43.629 45.100 -0.828 0.000 0.915 15 G HN 0.243 nan 8.290 nan 0.000 0.499 16 Q N -0.485 119.411 119.800 0.160 0.000 2.259 16 Q HA 0.691 5.036 4.340 0.009 0.000 0.249 16 Q C -0.402 175.884 176.000 0.477 0.000 0.914 16 Q CA -0.159 55.804 55.803 0.266 0.000 0.904 16 Q CB 1.596 30.438 28.738 0.173 0.000 1.213 16 Q HN 0.445 nan 8.270 nan 0.000 0.428 17 L N 1.472 122.905 121.223 0.349 0.000 2.354 17 L HA 0.640 4.985 4.340 0.009 0.000 0.264 17 L C -0.533 176.525 176.870 0.313 0.000 1.008 17 L CA -0.855 54.200 54.840 0.358 0.000 0.819 17 L CB 2.177 44.502 42.059 0.443 0.000 1.339 17 L HN 0.458 nan 8.230 nan 0.000 0.420 18 R N 0.559 121.216 120.500 0.262 0.000 2.451 18 R HA 0.625 4.971 4.340 0.009 0.000 0.307 18 R C -0.305 176.068 176.300 0.122 0.000 0.965 18 R CA -0.329 55.891 56.100 0.201 0.000 0.865 18 R CB 1.676 32.035 30.300 0.099 0.000 1.174 18 R HN 0.828 nan 8.270 nan 0.000 0.455 19 G N 3.342 112.145 108.800 0.005 0.000 2.531 19 G HA2 0.441 4.406 3.960 0.009 0.000 0.281 19 G HA3 0.441 4.406 3.960 0.009 0.000 0.281 19 G C -0.874 173.797 174.900 -0.380 0.000 1.382 19 G CA -0.675 44.083 45.100 -0.570 0.000 1.045 19 G HN 0.584 nan 8.290 nan 0.000 0.533 20 I N -1.017 119.281 120.570 -0.453 0.000 2.730 20 I HA 0.496 4.671 4.170 0.009 0.000 0.298 20 I C -0.299 175.671 176.117 -0.246 0.000 1.089 20 I CA -1.131 60.006 61.300 -0.272 0.000 1.041 20 I CB 2.161 40.014 38.000 -0.245 0.000 1.235 20 I HN 0.358 nan 8.210 nan 0.000 0.423 21 R N 7.539 127.929 120.500 -0.184 0.000 2.216 21 R HA 0.493 4.838 4.340 0.009 0.000 0.332 21 R C -1.613 174.562 176.300 -0.208 0.000 1.056 21 R CA -0.362 55.598 56.100 -0.234 0.000 0.901 21 R CB 0.488 30.587 30.300 -0.335 0.000 1.039 21 R HN 0.620 nan 8.270 nan 0.000 0.456 22 L N 3.775 124.898 121.223 -0.166 0.000 2.331 22 L HA 0.442 4.788 4.340 0.009 0.000 0.275 22 L C 0.143 176.938 176.870 -0.125 0.000 1.022 22 L CA -0.798 53.970 54.840 -0.120 0.000 0.812 22 L CB 1.800 43.827 42.059 -0.053 0.000 1.257 22 L HN 0.456 nan 8.230 nan 0.000 0.435 23 K N 2.030 122.365 120.400 -0.108 0.000 2.234 23 K HA 0.678 5.003 4.320 0.009 0.000 0.282 23 K C -0.905 175.639 176.600 -0.094 0.000 1.039 23 K CA -0.303 55.928 56.287 -0.093 0.000 0.928 23 K CB 1.342 33.801 32.500 -0.069 0.000 1.039 23 K HN 0.707 nan 8.250 nan 0.000 0.470 24 A N 5.266 128.039 122.820 -0.079 0.000 2.380 24 A HA 0.468 4.794 4.320 0.009 0.000 0.315 24 A C -2.175 175.420 177.584 0.018 0.000 1.101 24 A CA -1.880 50.107 52.037 -0.084 0.000 0.771 24 A CB 1.275 20.201 19.000 -0.124 0.000 1.287 24 A HN 0.656 nan 8.150 nan 0.000 0.436 25 P HA -0.201 nan 4.420 nan 0.000 0.219 25 P C 1.302 178.636 177.300 0.057 0.000 1.158 25 P CA 2.435 65.592 63.100 0.095 0.000 0.895 25 P CB 0.270 32.053 31.700 0.140 0.000 0.792 26 G N -2.603 106.233 108.800 0.059 0.000 3.189 26 G HA2 0.466 4.431 3.960 0.009 0.000 0.225 26 G HA3 0.466 4.431 3.960 0.009 0.000 0.225 26 G C 0.449 175.368 174.900 0.032 0.000 1.159 26 G CA 0.426 45.551 45.100 0.042 0.000 0.763 26 G HN 0.623 nan 8.290 nan 0.000 0.549 27 G N -0.407 108.405 108.800 0.020 0.000 2.356 27 G HA2 0.362 4.328 3.960 0.009 0.000 0.300 27 G HA3 0.362 4.328 3.960 0.009 0.000 0.300 27 G C -3.408 171.484 174.900 -0.013 0.000 1.331 27 G CA -0.707 44.400 45.100 0.012 0.000 0.905 27 G HN 0.049 nan 8.290 nan 0.000 0.587 28 P HA 0.569 nan 4.420 nan 0.000 0.276 28 P C -0.123 177.174 177.300 -0.005 0.000 1.244 28 P CA -0.273 62.757 63.100 -0.116 0.000 0.801 28 P CB 1.774 33.269 31.700 -0.342 0.000 1.006 29 V N -2.045 117.861 119.914 -0.014 0.000 3.078 29 V HA 0.653 4.778 4.120 0.009 0.000 0.311 29 V C -0.437 175.743 176.094 0.143 0.000 1.138 29 V CA -0.929 61.450 62.300 0.131 0.000 1.007 29 V CB 1.703 33.599 31.823 0.123 0.000 1.045 29 V HN 0.465 nan 8.190 nan 0.000 0.432 30 S N 1.587 117.444 115.700 0.262 0.000 2.508 30 S HA 0.875 5.350 4.470 0.009 0.000 0.284 30 S C 0.002 174.617 174.600 0.025 0.000 1.192 30 S CA -0.004 58.302 58.200 0.177 0.000 1.070 30 S CB 1.301 64.730 63.200 0.381 0.000 1.004 30 S HN 1.607 nan 8.310 nan 0.000 0.493 31 A N 2.570 125.195 122.820 -0.325 0.000 2.356 31 A HA 0.800 5.125 4.320 0.009 0.000 0.310 31 A C -1.275 175.856 177.584 -0.755 0.000 1.075 31 A CA -0.640 51.105 52.037 -0.487 0.000 0.746 31 A CB 0.494 19.207 19.000 -0.478 0.000 1.221 31 A HN 0.680 nan 8.150 nan 0.000 0.443 32 F N 2.815 122.584 119.950 -0.301 0.000 2.430 32 F HA 0.488 5.020 4.527 0.008 0.000 0.362 32 F C -0.234 175.373 175.800 -0.322 0.000 1.103 32 F CA -0.303 57.599 58.000 -0.164 0.000 1.045 32 F CB 1.328 40.371 39.000 0.072 0.000 1.276 32 F HN 0.360 nan 8.300 nan 0.000 0.444 33 L N 1.961 123.017 121.223 -0.278 0.000 2.325 33 L HA 0.755 5.101 4.340 0.009 0.000 0.278 33 L C 0.920 177.680 176.870 -0.183 0.000 1.023 33 L CA -1.064 53.563 54.840 -0.355 0.000 0.811 33 L CB 1.733 43.372 42.059 -0.701 0.000 1.249 33 L HN 0.793 nan 8.230 nan 0.000 0.431 34 G N 2.673 111.426 108.800 -0.078 0.000 2.198 34 G HA2 -0.249 3.716 3.960 0.009 0.000 0.257 34 G HA3 -0.249 3.716 3.960 0.009 0.000 0.257 34 G C -0.086 174.861 174.900 0.080 0.000 1.042 34 G CA -0.351 44.718 45.100 -0.051 0.000 0.791 34 G HN 0.480 nan 8.290 nan 0.000 0.502 35 I N 2.271 122.897 120.570 0.093 0.000 2.452 35 I HA 0.208 4.383 4.170 0.009 0.000 0.287 35 I C -1.406 174.790 176.117 0.132 0.000 1.079 35 I CA -1.973 59.374 61.300 0.079 0.000 1.387 35 I CB 0.893 38.891 38.000 -0.003 0.000 1.404 35 I HN -0.020 nan 8.210 nan 0.000 0.522 36 P HA 0.033 nan 4.420 nan 0.000 0.276 36 P C -0.245 177.023 177.300 -0.053 0.000 1.235 36 P CA 0.021 63.005 63.100 -0.193 0.000 0.772 36 P CB 0.522 32.105 31.700 -0.196 0.000 0.871 37 F N 1.030 120.845 119.950 -0.226 0.000 2.706 37 F HA 0.734 5.267 4.527 0.009 0.000 0.313 37 F C 0.012 175.812 175.800 -0.001 0.000 1.096 37 F CA -0.792 57.142 58.000 -0.110 0.000 1.219 37 F CB 0.236 39.063 39.000 -0.289 0.000 1.051 37 F HN 0.341 nan 8.300 nan 0.000 0.568 38 A N -0.025 122.521 122.820 -0.456 0.000 2.609 38 A HA 0.588 4.913 4.320 0.009 0.000 0.291 38 A C -0.961 176.463 177.584 -0.266 0.000 1.096 38 A CA -0.784 51.071 52.037 -0.303 0.000 0.684 38 A CB 1.035 19.763 19.000 -0.453 0.000 1.282 38 A HN 0.050 nan 8.150 nan 0.000 0.412 39 E N 1.066 121.186 120.200 -0.135 0.000 2.373 39 E HA 0.284 4.639 4.350 0.009 0.000 0.267 39 E C -2.328 174.175 176.600 -0.161 0.000 1.032 39 E CA -1.391 54.946 56.400 -0.106 0.000 0.889 39 E CB 0.147 29.822 29.700 -0.043 0.000 0.984 39 E HN 0.253 nan 8.360 nan 0.000 0.425 40 P HA -0.015 nan 4.420 nan 0.000 0.261 40 P C -2.201 175.032 177.300 -0.112 0.000 1.183 40 P CA -0.592 62.422 63.100 -0.143 0.000 0.761 40 P CB -0.001 31.650 31.700 -0.080 0.000 0.785 41 P HA 0.024 nan 4.420 nan 0.000 0.218 41 P C -0.260 176.978 177.300 -0.102 0.000 1.793 41 P CA 0.005 63.047 63.100 -0.098 0.000 0.941 41 P CB -0.054 31.591 31.700 -0.093 0.000 1.919 42 V N -2.654 117.207 119.914 -0.089 0.000 3.096 42 V HA 0.872 4.997 4.120 0.009 0.000 0.319 42 V C 1.088 177.136 176.094 -0.077 0.000 1.082 42 V CA 0.232 62.478 62.300 -0.091 0.000 1.022 42 V CB 0.630 32.410 31.823 -0.072 0.000 1.103 42 V HN 0.527 nan 8.190 nan 0.000 0.455 43 G N 2.340 111.094 108.800 -0.077 0.000 2.629 43 G HA2 -0.370 3.595 3.960 0.009 0.000 0.313 43 G HA3 -0.370 3.595 3.960 0.009 0.000 0.313 43 G C 1.244 176.112 174.900 -0.053 0.000 1.217 43 G CA 1.865 46.932 45.100 -0.055 0.000 0.994 43 G HN 2.373 nan 8.290 nan 0.000 0.549 44 S N 0.487 116.169 115.700 -0.029 0.000 2.555 44 S HA 0.078 4.553 4.470 0.009 0.000 0.230 44 S C 1.890 176.480 174.600 -0.018 0.000 0.978 44 S CA 1.545 59.738 58.200 -0.012 0.000 0.934 44 S CB 0.051 63.252 63.200 0.001 0.000 0.766 44 S HN 0.584 nan 8.310 nan 0.000 0.533 45 R N 1.242 121.716 120.500 -0.042 0.000 2.300 45 R HA 0.265 4.611 4.340 0.009 0.000 0.199 45 R C 0.798 177.047 176.300 -0.086 0.000 0.920 45 R CA -0.082 55.991 56.100 -0.044 0.000 1.046 45 R CB -0.654 29.619 30.300 -0.045 0.000 0.984 45 R HN 0.516 nan 8.270 nan 0.000 0.493 46 R N 0.804 121.202 120.500 -0.171 0.000 2.538 46 R HA -0.103 4.242 4.340 0.009 0.000 0.282 46 R C -0.263 175.793 176.300 -0.406 0.000 1.009 46 R CA 0.472 56.328 56.100 -0.406 0.000 1.063 46 R CB 0.040 29.960 30.300 -0.633 0.000 0.945 46 R HN 0.075 nan 8.270 nan 0.000 0.414 47 F N -0.552 119.403 119.950 0.007 0.000 2.619 47 F HA -0.269 4.264 4.527 0.009 0.000 0.425 47 F C -0.081 175.702 175.800 -0.028 0.000 0.575 47 F CA 0.413 58.392 58.000 -0.034 0.000 1.289 47 F CB -1.430 37.541 39.000 -0.049 0.000 1.859 47 F HN 0.441 nan 8.300 nan 0.000 0.280 48 M N 0.999 120.658 119.600 0.098 0.000 2.342 48 M HA 0.430 4.915 4.480 0.009 0.000 0.332 48 M C -1.907 174.417 176.300 0.040 0.000 1.166 48 M CA -2.166 53.173 55.300 0.066 0.000 1.086 48 M CB 0.270 32.895 32.600 0.041 0.000 1.541 48 M HN -0.340 nan 8.290 nan 0.000 0.462 49 P HA 0.121 nan 4.420 nan 0.000 0.267 49 P C -2.369 174.956 177.300 0.042 0.000 1.200 49 P CA -0.469 62.660 63.100 0.050 0.000 0.772 49 P CB -0.339 31.399 31.700 0.065 0.000 0.855 50 P HA 0.161 nan 4.420 nan 0.000 0.274 50 P C -0.743 176.588 177.300 0.051 0.000 1.231 50 P CA 0.023 63.144 63.100 0.036 0.000 0.790 50 P CB 1.013 32.749 31.700 0.060 0.000 0.951 51 E N 2.707 122.923 120.200 0.026 0.000 2.191 51 E HA 0.397 4.753 4.350 0.009 0.000 0.274 51 E C -2.309 174.321 176.600 0.051 0.000 0.948 51 E CA -2.361 54.063 56.400 0.041 0.000 0.802 51 E CB 0.650 30.365 29.700 0.024 0.000 1.137 51 E HN 0.349 nan 8.360 nan 0.000 0.397 52 P HA -0.072 nan 4.420 nan 0.000 0.266 52 P C -0.753 176.606 177.300 0.099 0.000 1.195 52 P CA -0.104 63.070 63.100 0.123 0.000 0.768 52 P CB 0.429 32.206 31.700 0.128 0.000 0.838 53 K N 3.753 124.231 120.400 0.130 0.000 2.451 53 K HA 0.040 4.365 4.320 0.009 0.000 0.280 53 K C -0.019 176.677 176.600 0.160 0.000 1.020 53 K CA 0.460 56.828 56.287 0.134 0.000 1.008 53 K CB 0.177 32.800 32.500 0.206 0.000 0.917 53 K HN 0.282 nan 8.250 nan 0.000 0.478 54 R N 5.186 125.767 120.500 0.135 0.000 2.490 54 R HA 0.208 4.553 4.340 0.009 0.000 0.280 54 R C -2.013 174.373 176.300 0.142 0.000 1.077 54 R CA -1.792 54.372 56.100 0.107 0.000 1.065 54 R CB 0.150 30.499 30.300 0.082 0.000 1.003 54 R HN 0.582 nan 8.270 nan 0.000 0.470 55 P HA -0.113 nan 4.420 nan 0.000 0.266 55 P C -1.089 176.214 177.300 0.005 0.000 1.193 55 P CA 0.252 63.272 63.100 -0.135 0.000 0.770 55 P CB 0.311 31.905 31.700 -0.177 0.000 0.836 56 W N 0.938 122.273 121.300 0.060 0.000 2.736 56 W HA 0.706 5.371 4.660 0.009 0.000 0.355 56 W C -0.757 175.789 176.519 0.045 0.000 1.102 56 W CA -0.938 56.438 57.345 0.052 0.000 1.164 56 W CB 0.035 29.534 29.460 0.065 0.000 1.422 56 W HN 0.349 nan 8.180 nan 0.000 0.572 57 S N 1.090 116.941 115.700 0.252 0.000 2.651 57 S HA 0.874 5.349 4.470 0.009 0.000 0.291 57 S C 0.319 175.067 174.600 0.248 0.000 1.141 57 S CA -0.113 58.176 58.200 0.148 0.000 1.027 57 S CB 0.996 64.254 63.200 0.096 0.000 1.043 57 S HN 2.118 nan 8.310 nan 0.000 0.530 58 G N -0.112 108.791 108.800 0.172 0.000 2.741 58 G HA2 -0.103 3.862 3.960 0.009 0.000 0.222 58 G HA3 -0.103 3.862 3.960 0.009 0.000 0.222 58 G C -0.822 174.237 174.900 0.266 0.000 1.364 58 G CA -0.447 44.760 45.100 0.178 0.000 0.866 58 G HN 1.585 nan 8.290 nan 0.000 0.555 59 V N 0.943 120.977 119.914 0.201 0.000 2.364 59 V HA 0.511 4.636 4.120 0.009 0.000 0.272 59 V C 0.988 177.179 176.094 0.162 0.000 1.036 59 V CA -0.289 62.141 62.300 0.216 0.000 0.880 59 V CB 1.151 33.057 31.823 0.139 0.000 0.991 59 V HN 0.806 nan 8.190 nan 0.000 0.460 60 L N 4.681 126.009 121.223 0.175 0.000 2.367 60 L HA 0.297 4.642 4.340 0.009 0.000 0.275 60 L C 0.638 177.487 176.870 -0.034 0.000 1.129 60 L CA 0.060 54.831 54.840 -0.115 0.000 0.839 60 L CB 0.631 42.325 42.059 -0.609 0.000 1.133 60 L HN 0.701 nan 8.230 nan 0.000 0.453 61 D N 4.923 125.279 120.400 -0.073 0.000 2.339 61 D HA 0.159 4.804 4.640 0.009 0.000 0.256 61 D C -0.400 175.852 176.300 -0.080 0.000 1.214 61 D CA -0.021 53.947 54.000 -0.054 0.000 0.877 61 D CB 1.413 42.172 40.800 -0.068 0.000 1.111 61 D HN 0.672 nan 8.370 nan 0.000 0.478 62 A N 3.253 126.051 122.820 -0.038 0.000 3.154 62 A HA 0.193 4.519 4.320 0.009 0.000 0.310 62 A C 0.985 178.478 177.584 -0.152 0.000 1.093 62 A CA -0.466 51.540 52.037 -0.052 0.000 1.006 62 A CB -0.101 18.972 19.000 0.121 0.000 1.084 62 A HN 0.566 nan 8.150 nan 0.000 0.549 63 T N -3.149 111.296 114.554 -0.182 0.000 3.054 63 T HA 0.267 4.622 4.350 0.009 0.000 0.255 63 T C 0.658 175.187 174.700 -0.285 0.000 1.035 63 T CA 0.761 62.720 62.100 -0.234 0.000 0.941 63 T CB -0.229 68.537 68.868 -0.170 0.000 1.026 63 T HN 0.707 nan 8.240 nan 0.000 0.533 64 T N -0.591 113.793 114.554 -0.284 0.000 2.900 64 T HA 0.691 5.047 4.350 0.009 0.000 0.303 64 T C -0.777 173.745 174.700 -0.297 0.000 1.142 64 T CA -0.908 61.013 62.100 -0.300 0.000 1.007 64 T CB 1.032 69.799 68.868 -0.168 0.000 1.156 64 T HN -0.006 nan 8.240 nan 0.000 0.490 65 F N 1.881 121.755 119.950 -0.127 0.000 2.553 65 F HA 0.336 4.868 4.527 0.009 0.000 0.356 65 F C 1.462 177.151 175.800 -0.186 0.000 1.142 65 F CA -0.094 57.831 58.000 -0.125 0.000 1.322 65 F CB 0.463 39.419 39.000 -0.072 0.000 1.126 65 F HN 0.481 nan 8.300 nan 0.000 0.599 66 Q N 1.122 120.917 119.800 -0.009 0.000 2.199 66 Q HA 0.248 4.593 4.340 0.009 0.000 0.205 66 Q C -0.201 175.716 176.000 -0.139 0.000 1.001 66 Q CA -0.816 54.820 55.803 -0.277 0.000 1.019 66 Q CB 0.624 28.865 28.738 -0.828 0.000 1.132 66 Q HN 0.525 nan 8.270 nan 0.000 0.530 67 N N -0.256 118.336 118.700 -0.179 0.000 2.344 67 N HA 0.010 4.755 4.740 0.009 0.000 0.236 67 N C -0.464 175.031 175.510 -0.024 0.000 1.279 67 N CA 0.167 53.171 53.050 -0.077 0.000 0.882 67 N CB 0.343 38.804 38.487 -0.044 0.000 1.110 67 N HN 0.167 nan 8.380 nan 0.000 0.436 68 V N 1.153 121.028 119.914 -0.065 0.000 2.644 68 V HA 0.131 4.257 4.120 0.009 0.000 0.295 68 V C 0.514 176.565 176.094 -0.073 0.000 1.053 68 V CA -0.853 61.401 62.300 -0.078 0.000 0.987 68 V CB 1.368 33.109 31.823 -0.138 0.000 1.006 68 V HN 0.715 nan 8.190 nan 0.000 0.472 69 c N 3.802 122.378 118.600 -0.041 0.000 2.642 69 c HA 0.124 4.699 4.570 0.009 0.000 0.420 69 c C 0.486 174.531 174.090 -0.075 0.000 1.349 69 c CA -0.606 55.702 56.329 -0.034 0.000 1.821 69 c CB -1.088 41.434 42.510 0.021 0.000 2.637 69 c HN 0.748 nan 8.230 nan 0.000 0.605 70 Y N 4.005 124.168 120.300 -0.228 0.000 2.805 70 Y HA 0.146 4.701 4.550 0.009 0.000 0.331 70 Y C 0.887 176.799 175.900 0.020 0.000 1.241 70 Y CA 1.153 59.109 58.100 -0.240 0.000 1.546 70 Y CB 0.102 38.168 38.460 -0.657 0.000 1.248 70 Y HN 0.746 nan 8.280 nan 0.000 0.559 71 Q N 4.048 123.875 119.800 0.045 0.000 2.575 71 Q HA 0.221 4.566 4.340 0.009 0.000 0.290 71 Q C -1.834 174.350 176.000 0.306 0.000 0.963 71 Q CA -1.240 54.742 55.803 0.297 0.000 0.783 71 Q CB 1.244 30.111 28.738 0.215 0.000 1.467 71 Q HN 0.631 nan 8.270 nan 0.000 0.402 72 Y N 1.129 121.646 120.300 0.360 0.000 2.511 72 Y HA 0.349 4.904 4.550 0.009 0.000 0.332 72 Y C -0.931 175.144 175.900 0.292 0.000 1.177 72 Y CA 0.247 58.568 58.100 0.367 0.000 1.422 72 Y CB 0.901 39.687 38.460 0.543 0.000 1.271 72 Y HN 0.441 nan 8.280 nan 0.000 0.550 73 V N 6.565 126.292 119.914 -0.313 0.000 2.435 73 V HA 0.113 4.238 4.120 0.009 0.000 0.290 73 V C -0.518 175.393 176.094 -0.305 0.000 1.030 73 V CA -0.963 61.231 62.300 -0.176 0.000 0.881 73 V CB 1.569 33.304 31.823 -0.146 0.000 0.983 73 V HN 0.787 nan 8.190 nan 0.000 0.445 74 D N 2.742 123.183 120.400 0.068 0.000 2.348 74 D HA 0.255 4.901 4.640 0.009 0.000 0.253 74 D C 0.808 177.174 176.300 0.111 0.000 1.161 74 D CA 0.260 54.385 54.000 0.209 0.000 0.876 74 D CB 1.337 42.383 40.800 0.410 0.000 1.160 74 D HN 0.617 nan 8.370 nan 0.000 0.459 75 T N 3.452 118.055 114.554 0.081 0.000 3.010 75 T HA -0.013 4.342 4.350 0.009 0.000 0.257 75 T C 1.604 176.292 174.700 -0.018 0.000 1.020 75 T CA -0.410 61.705 62.100 0.025 0.000 0.938 75 T CB -0.010 68.847 68.868 -0.019 0.000 1.049 75 T HN 0.283 nan 8.240 nan 0.000 0.522 76 L N 1.282 122.479 121.223 -0.045 0.000 2.030 76 L HA -0.161 4.185 4.340 0.009 0.000 0.222 76 L C -0.168 176.325 176.870 -0.628 0.000 1.082 76 L CA 1.961 56.563 54.840 -0.396 0.000 0.785 76 L CB -0.437 41.253 42.059 -0.615 0.000 0.895 76 L HN 0.352 nan 8.230 nan 0.000 0.439 77 Y N -0.816 119.507 120.300 0.038 0.000 2.662 77 Y HA 0.415 4.971 4.550 0.009 0.000 0.358 77 Y C -2.191 173.760 175.900 0.085 0.000 1.041 77 Y CA -3.385 54.724 58.100 0.016 0.000 1.184 77 Y CB -0.138 38.299 38.460 -0.038 0.000 1.114 77 Y HN 0.069 nan 8.280 nan 0.000 0.650 78 P HA 0.039 nan 4.420 nan 0.000 0.258 78 P C 1.038 178.405 177.300 0.112 0.000 1.172 78 P CA 1.883 65.046 63.100 0.104 0.000 0.762 78 P CB 0.516 32.246 31.700 0.050 0.000 0.764 79 G N 2.665 111.520 108.800 0.093 0.000 2.184 79 G HA2 -0.299 3.666 3.960 0.009 0.000 0.264 79 G HA3 -0.299 3.666 3.960 0.009 0.000 0.264 79 G C -0.008 174.949 174.900 0.094 0.000 0.975 79 G CA -0.373 44.765 45.100 0.062 0.000 0.642 79 G HN 0.548 nan 8.290 nan 0.000 0.536 80 F N 2.054 121.979 119.950 -0.042 0.000 2.445 80 F HA 0.594 5.126 4.527 0.008 0.000 0.359 80 F C 1.300 177.022 175.800 -0.130 0.000 1.101 80 F CA -0.498 57.430 58.000 -0.120 0.000 1.177 80 F CB 0.829 39.735 39.000 -0.156 0.000 1.110 80 F HN 0.204 nan 8.300 nan 0.000 0.522 81 E N 3.633 123.458 120.200 -0.624 0.000 2.114 81 E HA -0.209 4.146 4.350 0.009 0.000 0.199 81 E C 2.232 178.325 176.600 -0.845 0.000 1.008 81 E CA 1.828 57.846 56.400 -0.636 0.000 0.810 81 E CB -0.306 29.077 29.700 -0.530 0.000 0.739 81 E HN 1.034 nan 8.360 nan 0.000 0.456 82 G N -0.436 107.252 108.800 -1.853 0.000 2.469 82 G HA2 -0.336 3.630 3.960 0.009 0.000 0.220 82 G HA3 -0.336 3.630 3.960 0.009 0.000 0.220 82 G C 1.670 176.566 174.900 -0.005 0.000 1.136 82 G CA 1.734 46.057 45.100 -1.294 0.000 0.759 82 G HN 0.465 nan 8.290 nan 0.000 0.562 83 T N -2.584 111.974 114.554 0.007 0.000 3.015 83 T HA 0.207 4.562 4.350 0.009 0.000 0.250 83 T C 1.838 176.719 174.700 0.301 0.000 1.057 83 T CA 0.611 63.031 62.100 0.533 0.000 1.066 83 T CB 0.264 69.503 68.868 0.619 0.000 0.959 83 T HN 0.137 nan 8.240 nan 0.000 0.488 84 E N 2.297 122.514 120.200 0.029 0.000 2.152 84 E HA -0.017 4.338 4.350 0.009 0.000 0.192 84 E C 2.214 178.730 176.600 -0.139 0.000 0.983 84 E CA 1.126 57.506 56.400 -0.033 0.000 0.818 84 E CB -0.421 29.226 29.700 -0.089 0.000 0.758 84 E HN 0.785 nan 8.360 nan 0.000 0.467 85 M N -2.152 117.266 119.600 -0.303 0.000 2.446 85 M HA -0.070 4.415 4.480 0.009 0.000 0.263 85 M C 1.134 177.047 176.300 -0.644 0.000 1.066 85 M CA 1.397 56.364 55.300 -0.556 0.000 1.087 85 M CB -0.513 31.611 32.600 -0.793 0.000 1.406 85 M HN 0.000 nan 8.290 nan 0.000 0.459 86 W N 0.720 121.955 121.300 -0.108 0.000 3.177 86 W HA 0.307 4.972 4.660 0.008 0.000 0.309 86 W C 0.353 176.807 176.519 -0.109 0.000 1.224 86 W CA -0.916 56.354 57.345 -0.124 0.000 1.718 86 W CB -0.031 29.410 29.460 -0.033 0.000 1.078 86 W HN 0.080 nan 8.180 nan 0.000 0.618 87 N N 1.591 120.338 118.700 0.077 0.000 2.513 87 N HA 0.163 4.908 4.740 0.009 0.000 0.274 87 N C -2.427 173.039 175.510 -0.072 0.000 1.189 87 N CA -1.433 51.633 53.050 0.026 0.000 0.975 87 N CB 0.067 38.573 38.487 0.031 0.000 1.157 87 N HN -0.364 nan 8.380 nan 0.000 0.465 88 P HA -0.014 nan 4.420 nan 0.000 0.263 88 P C 0.241 177.459 177.300 -0.136 0.000 1.175 88 P CA 0.252 63.272 63.100 -0.133 0.000 0.761 88 P CB 0.289 31.908 31.700 -0.134 0.000 0.794 89 N N 2.235 120.837 118.700 -0.162 0.000 2.235 89 N HA 0.102 4.847 4.740 0.009 0.000 0.231 89 N C 0.029 175.466 175.510 -0.122 0.000 1.177 89 N CA -0.088 52.873 53.050 -0.148 0.000 0.874 89 N CB 0.491 38.866 38.487 -0.186 0.000 1.097 89 N HN 0.159 nan 8.380 nan 0.000 0.518 90 R N 0.143 120.571 120.500 -0.120 0.000 2.764 90 R HA 0.246 4.591 4.340 0.009 0.000 0.270 90 R C -0.780 175.458 176.300 -0.105 0.000 1.014 90 R CA -0.643 55.401 56.100 -0.093 0.000 0.904 90 R CB 1.232 31.486 30.300 -0.078 0.000 1.236 90 R HN 0.301 nan 8.270 nan 0.000 0.466 91 E N 1.662 121.807 120.200 -0.091 0.000 2.502 91 E HA -0.010 4.346 4.350 0.009 0.000 0.261 91 E C -0.491 176.031 176.600 -0.129 0.000 0.974 91 E CA 0.051 56.392 56.400 -0.099 0.000 0.936 91 E CB 0.531 30.187 29.700 -0.073 0.000 0.926 91 E HN 0.274 nan 8.360 nan 0.000 0.459 92 L N 3.524 124.634 121.223 -0.190 0.000 2.349 92 L HA 0.287 4.632 4.340 0.009 0.000 0.275 92 L C 0.310 177.085 176.870 -0.158 0.000 1.115 92 L CA -0.098 54.556 54.840 -0.310 0.000 0.820 92 L CB 1.198 42.847 42.059 -0.684 0.000 1.135 92 L HN 0.449 nan 8.230 nan 0.000 0.445 93 S N 1.056 116.718 115.700 -0.064 0.000 2.552 93 S HA 0.207 4.682 4.470 0.009 0.000 0.272 93 S C 0.155 174.763 174.600 0.013 0.000 1.150 93 S CA -0.652 57.588 58.200 0.067 0.000 0.849 93 S CB 1.667 64.879 63.200 0.019 0.000 1.113 93 S HN 0.743 nan 8.310 nan 0.000 0.458 94 E N 0.779 120.948 120.200 -0.051 0.000 2.358 94 E HA -0.026 4.330 4.350 0.009 0.000 0.195 94 E C -0.397 176.148 176.600 -0.091 0.000 1.010 94 E CA 0.358 56.652 56.400 -0.176 0.000 0.856 94 E CB 0.146 29.692 29.700 -0.257 0.000 0.795 94 E HN 0.512 nan 8.360 nan 0.000 0.504 95 D N 0.446 120.829 120.400 -0.028 0.000 2.494 95 D HA 0.006 4.651 4.640 0.009 0.000 0.217 95 D C 0.090 176.472 176.300 0.136 0.000 1.153 95 D CA -0.344 53.667 54.000 0.019 0.000 0.954 95 D CB 0.054 40.886 40.800 0.052 0.000 1.034 95 D HN 0.129 nan 8.370 nan 0.000 0.518 96 c N 2.451 121.095 118.600 0.073 0.000 3.911 96 c HA 0.375 4.950 4.570 0.009 0.000 0.318 96 c C 0.696 174.846 174.090 0.101 0.000 1.643 96 c CA -0.636 55.803 56.329 0.183 0.000 1.845 96 c CB -1.215 41.340 42.510 0.075 0.000 2.981 96 c HN 0.442 nan 8.230 nan 0.000 0.656 97 L N 2.559 123.591 121.223 -0.320 0.000 2.382 97 L HA 0.364 4.709 4.340 0.009 0.000 0.259 97 L C -0.864 175.398 176.870 -1.013 0.000 1.291 97 L CA 0.601 55.046 54.840 -0.659 0.000 1.176 97 L CB -0.777 40.752 42.059 -0.884 0.000 1.373 97 L HN 0.397 nan 8.230 nan 0.000 0.426 98 Y N 1.867 122.150 120.300 -0.027 0.000 2.570 98 Y HA 0.663 5.218 4.550 0.009 0.000 0.345 98 Y C -0.035 176.072 175.900 0.344 0.000 1.014 98 Y CA -1.189 56.978 58.100 0.111 0.000 1.063 98 Y CB 2.015 40.489 38.460 0.023 0.000 1.272 98 Y HN 0.196 nan 8.280 nan 0.000 0.477 99 L N -0.327 121.087 121.223 0.319 0.000 2.303 99 L HA 0.768 5.113 4.340 0.009 0.000 0.256 99 L C -1.345 175.523 176.870 -0.003 0.000 1.034 99 L CA -1.208 53.690 54.840 0.097 0.000 0.832 99 L CB 1.790 43.711 42.059 -0.230 0.000 1.403 99 L HN 0.495 nan 8.230 nan 0.000 0.419 100 N N -0.080 118.612 118.700 -0.014 0.000 2.240 100 N HA 0.743 5.488 4.740 0.009 0.000 0.302 100 N C -1.558 173.838 175.510 -0.189 0.000 1.106 100 N CA -0.452 52.500 53.050 -0.162 0.000 0.778 100 N CB 2.946 41.316 38.487 -0.196 0.000 1.431 100 N HN 0.491 nan 8.380 nan 0.000 0.479 101 V N 1.290 121.021 119.914 -0.305 0.000 2.577 101 V HA 0.470 4.595 4.120 0.009 0.000 0.303 101 V C -0.877 175.151 176.094 -0.111 0.000 1.042 101 V CA -0.753 61.461 62.300 -0.143 0.000 0.872 101 V CB 2.326 33.929 31.823 -0.367 0.000 0.998 101 V HN 0.565 nan 8.190 nan 0.000 0.423 102 W N 2.885 124.271 121.300 0.143 0.000 2.632 102 W HA 0.714 5.380 4.660 0.010 0.000 0.328 102 W C 0.092 176.712 176.519 0.169 0.000 1.044 102 W CA -0.413 57.022 57.345 0.149 0.000 1.225 102 W CB 2.492 32.018 29.460 0.111 0.000 1.396 102 W HN 0.677 nan 8.180 nan 0.000 0.499 103 T N 0.170 114.974 114.554 0.417 0.000 2.843 103 T HA 0.509 4.864 4.350 0.009 0.000 0.302 103 T C -2.919 171.955 174.700 0.291 0.000 1.232 103 T CA -2.271 60.027 62.100 0.330 0.000 1.009 103 T CB 2.313 71.396 68.868 0.358 0.000 1.254 103 T HN -0.109 nan 8.240 nan 0.000 0.504 104 P HA 0.252 nan 4.420 nan 0.000 0.271 104 P C -1.588 175.860 177.300 0.247 0.000 1.233 104 P CA -0.153 63.066 63.100 0.197 0.000 0.789 104 P CB 0.114 31.899 31.700 0.141 0.000 0.951 105 Y N 2.306 122.662 120.300 0.093 0.000 2.329 105 Y HA 0.417 4.972 4.550 0.008 0.000 0.328 105 Y C -2.238 173.698 175.900 0.061 0.000 0.992 105 Y CA -2.385 55.764 58.100 0.082 0.000 1.151 105 Y CB 1.202 39.698 38.460 0.061 0.000 1.150 105 Y HN 0.330 nan 8.280 nan 0.000 0.450 106 P HA 0.232 nan 4.420 nan 0.000 0.274 106 P C -0.843 176.406 177.300 -0.086 0.000 1.256 106 P CA -0.415 62.453 63.100 -0.388 0.000 0.795 106 P CB 1.160 32.669 31.700 -0.319 0.000 1.038 107 R N 0.956 121.426 120.500 -0.050 0.000 2.698 107 R HA 0.119 4.464 4.340 0.009 0.000 0.266 107 R C -1.583 174.742 176.300 0.041 0.000 1.026 107 R CA -0.943 55.193 56.100 0.061 0.000 1.102 107 R CB -0.776 29.576 30.300 0.086 0.000 0.978 107 R HN 0.488 nan 8.270 nan 0.000 0.436 108 P HA -0.110 nan 4.420 nan 0.000 0.265 108 P C -0.174 177.143 177.300 0.028 0.000 1.187 108 P CA 0.325 63.455 63.100 0.051 0.000 0.766 108 P CB 0.706 32.446 31.700 0.068 0.000 0.820 109 A N 3.610 126.440 122.820 0.017 0.000 1.855 109 A HA -0.023 4.302 4.320 0.009 0.000 0.215 109 A C 1.164 178.751 177.584 0.005 0.000 1.191 109 A CA 1.606 53.647 52.037 0.006 0.000 0.613 109 A CB -0.894 18.108 19.000 0.004 0.000 0.829 109 A HN 0.718 nan 8.150 nan 0.000 0.442 110 S N -0.934 114.771 115.700 0.010 0.000 2.621 110 S HA 0.610 5.085 4.470 0.009 0.000 0.302 110 S C -3.094 171.514 174.600 0.013 0.000 1.093 110 S CA -1.893 56.311 58.200 0.006 0.000 1.017 110 S CB 1.040 64.241 63.200 0.001 0.000 1.077 110 S HN 0.032 nan 8.310 nan 0.000 0.517 111 P HA 0.110 nan 4.420 nan 0.000 0.258 111 P C -0.639 176.671 177.300 0.017 0.000 1.172 111 P CA 0.516 63.625 63.100 0.014 0.000 0.762 111 P CB -0.084 31.616 31.700 -0.000 0.000 0.764 112 T N 5.714 120.290 114.554 0.037 0.000 2.824 112 T HA 0.395 4.750 4.350 0.009 0.000 0.280 112 T C -2.387 172.337 174.700 0.039 0.000 0.995 112 T CA -1.944 60.179 62.100 0.038 0.000 1.009 112 T CB 0.859 69.764 68.868 0.061 0.000 0.955 112 T HN 0.118 nan 8.240 nan 0.000 0.452 113 P HA 0.133 nan 4.420 nan 0.000 0.264 113 P C -0.848 176.485 177.300 0.055 0.000 1.183 113 P CA -0.185 62.926 63.100 0.018 0.000 0.763 113 P CB 0.379 32.072 31.700 -0.012 0.000 0.807 114 V N 5.163 125.126 119.914 0.082 0.000 2.472 114 V HA 0.309 4.434 4.120 0.009 0.000 0.290 114 V C 0.343 176.518 176.094 0.134 0.000 1.037 114 V CA -0.481 61.893 62.300 0.123 0.000 0.908 114 V CB 1.184 33.096 31.823 0.149 0.000 0.985 114 V HN 0.360 nan 8.190 nan 0.000 0.454 115 L N 5.684 127.002 121.223 0.159 0.000 2.296 115 L HA 0.593 4.938 4.340 0.009 0.000 0.286 115 L C -0.638 176.470 176.870 0.397 0.000 1.023 115 L CA -0.305 54.652 54.840 0.195 0.000 0.812 115 L CB 1.638 43.715 42.059 0.030 0.000 1.223 115 L HN 0.496 nan 8.230 nan 0.000 0.421 116 I N 3.107 123.948 120.570 0.451 0.000 2.355 116 I HA 0.207 4.382 4.170 0.009 0.000 0.288 116 I C -0.587 175.809 176.117 0.464 0.000 0.999 116 I CA -0.414 61.123 61.300 0.394 0.000 1.163 116 I CB 1.406 39.517 38.000 0.184 0.000 1.316 116 I HN 0.633 nan 8.210 nan 0.000 0.454 117 W N 8.587 129.980 121.300 0.154 0.000 2.316 117 W HA 0.546 5.210 4.660 0.007 0.000 0.311 117 W C -1.485 174.917 176.519 -0.195 0.000 1.217 117 W CA -0.562 56.623 57.345 -0.266 0.000 1.199 117 W CB 1.132 30.443 29.460 -0.248 0.000 1.202 117 W HN 0.351 nan 8.180 nan 0.000 0.528 118 I N 9.214 129.131 120.570 -1.088 0.000 2.420 118 I HA 0.061 4.236 4.170 0.009 0.000 0.282 118 I C -0.236 175.056 176.117 -1.375 0.000 1.019 118 I CA -1.106 59.626 61.300 -0.948 0.000 1.130 118 I CB 0.716 38.331 38.000 -0.642 0.000 1.262 118 I HN 0.308 nan 8.210 nan 0.000 0.454 119 Y N 4.732 124.508 120.300 -0.874 0.000 2.426 119 Y HA 0.648 5.203 4.550 0.008 0.000 0.344 119 Y C 0.734 176.449 175.900 -0.307 0.000 1.256 119 Y CA -0.755 56.969 58.100 -0.627 0.000 1.451 119 Y CB -0.040 38.298 38.460 -0.204 0.000 1.342 119 Y HN 0.504 nan 8.280 nan 0.000 0.600 120 G N -0.913 107.900 108.800 0.023 0.000 2.583 120 G HA2 0.501 4.466 3.960 0.009 0.000 0.280 120 G HA3 0.501 4.466 3.960 0.009 0.000 0.280 120 G C 0.208 175.069 174.900 -0.065 0.000 1.376 120 G CA -0.946 44.093 45.100 -0.102 0.000 1.043 120 G HN 1.730 nan 8.290 nan 0.000 0.538 121 G N -2.725 105.874 108.800 -0.334 0.000 2.223 121 G HA2 0.409 4.374 3.960 0.009 0.000 0.200 121 G HA3 0.409 4.374 3.960 0.009 0.000 0.200 121 G C 1.015 175.418 174.900 -0.829 0.000 1.061 121 G CA 0.684 45.479 45.100 -0.508 0.000 0.790 121 G HN 2.315 nan 8.290 nan 0.000 0.498 122 G N -0.512 107.762 108.800 -0.876 0.000 2.233 122 G HA2 -0.130 3.835 3.960 0.009 0.000 0.270 122 G HA3 -0.130 3.835 3.960 0.009 0.000 0.270 122 G C 0.930 175.460 174.900 -0.616 0.000 1.011 122 G CA 0.851 45.133 45.100 -1.365 0.000 0.762 122 G HN 1.779 nan 8.290 nan 0.000 0.511 123 F N -3.447 116.339 119.950 -0.274 0.000 2.871 123 F HA -0.303 4.229 4.527 0.009 0.000 0.326 123 F C 1.426 177.301 175.800 0.126 0.000 0.675 123 F CA 2.154 60.123 58.000 -0.052 0.000 1.188 123 F CB -2.029 36.800 39.000 -0.284 0.000 1.567 123 F HN 0.950 nan 8.300 nan 0.000 0.325 124 Y N -1.066 119.315 120.300 0.136 0.000 2.527 124 Y HA 0.672 5.227 4.550 0.009 0.000 0.247 124 Y C 0.528 176.553 175.900 0.208 0.000 1.138 124 Y CA 0.211 58.429 58.100 0.196 0.000 1.228 124 Y CB -0.013 38.509 38.460 0.104 0.000 1.252 124 Y HN 0.086 nan 8.280 nan 0.000 0.531 125 S N -0.937 114.527 115.700 -0.394 0.000 2.727 125 S HA 0.885 5.361 4.470 0.009 0.000 0.278 125 S C -0.159 174.295 174.600 -0.244 0.000 1.186 125 S CA -0.523 57.514 58.200 -0.271 0.000 0.836 125 S CB 1.456 64.420 63.200 -0.394 0.000 1.186 125 S HN 1.371 nan 8.310 nan 0.000 0.499 126 G N -0.702 107.920 108.800 -0.297 0.000 2.440 126 G HA2 0.552 4.517 3.960 0.009 0.000 0.684 126 G HA3 0.552 4.517 3.960 0.009 0.000 0.684 126 G C -0.681 173.597 174.900 -1.037 0.000 1.309 126 G CA -0.243 44.496 45.100 -0.601 0.000 0.931 126 G HN 2.265 nan 8.290 nan 0.000 0.612 127 A N -1.191 120.837 122.820 -1.320 0.000 2.594 127 A HA 0.986 5.311 4.320 0.009 0.000 0.296 127 A C 0.529 177.912 177.584 -0.335 0.000 1.056 127 A CA 0.683 52.248 52.037 -0.786 0.000 0.693 127 A CB 0.835 19.620 19.000 -0.358 0.000 1.278 127 A HN 2.589 nan 8.150 nan 0.000 0.408 128 A N 0.462 123.340 122.820 0.096 0.000 2.208 128 A HA 0.275 4.600 4.320 0.009 0.000 0.209 128 A C 1.662 179.314 177.584 0.113 0.000 1.161 128 A CA 1.712 53.970 52.037 0.369 0.000 0.782 128 A CB -0.537 18.745 19.000 0.469 0.000 0.816 128 A HN 1.826 nan 8.150 nan 0.000 0.477 129 S N -0.434 115.099 115.700 -0.280 0.000 2.575 129 S HA 0.320 4.795 4.470 0.009 0.000 0.215 129 S C 0.490 174.652 174.600 -0.730 0.000 0.966 129 S CA -0.458 57.127 58.200 -1.026 0.000 0.911 129 S CB -0.597 61.913 63.200 -1.149 0.000 0.780 129 S HN 0.385 nan 8.310 nan 0.000 0.514 130 L N 2.096 123.064 121.223 -0.424 0.000 2.461 130 L HA 0.168 4.514 4.340 0.009 0.000 0.272 130 L C 1.222 177.771 176.870 -0.534 0.000 1.197 130 L CA -0.479 54.049 54.840 -0.520 0.000 0.836 130 L CB 0.202 41.827 42.059 -0.723 0.000 1.105 130 L HN 0.065 nan 8.230 nan 0.000 0.477 131 D N 1.027 121.146 120.400 -0.469 0.000 2.149 131 D HA -0.136 4.509 4.640 0.009 0.000 0.198 131 D C 1.994 178.004 176.300 -0.484 0.000 0.990 131 D CA 1.264 55.045 54.000 -0.365 0.000 0.839 131 D CB -0.005 40.625 40.800 -0.283 0.000 0.948 131 D HN 0.517 nan 8.370 nan 0.000 0.460 132 V N -1.142 118.332 119.914 -0.734 0.000 3.026 132 V HA -0.171 3.954 4.120 0.009 0.000 0.265 132 V C 1.060 176.562 176.094 -0.986 0.000 1.121 132 V CA 1.088 62.910 62.300 -0.796 0.000 1.142 132 V CB -1.193 30.078 31.823 -0.920 0.000 0.730 132 V HN 0.090 nan 8.190 nan 0.000 0.503 133 Y N -0.194 119.544 120.300 -0.938 0.000 2.555 133 Y HA 0.441 4.996 4.550 0.008 0.000 0.259 133 Y C 0.872 176.158 175.900 -1.024 0.000 1.179 133 Y CA -1.985 55.183 58.100 -1.554 0.000 1.230 133 Y CB -0.626 37.300 38.460 -0.891 0.000 1.146 133 Y HN 0.211 nan 8.280 nan 0.000 0.526 134 D N 1.050 121.136 120.400 -0.523 0.000 2.451 134 D HA 0.002 4.647 4.640 0.009 0.000 0.254 134 D C 1.361 177.287 176.300 -0.623 0.000 1.204 134 D CA 0.607 54.349 54.000 -0.430 0.000 0.896 134 D CB 1.282 41.974 40.800 -0.179 0.000 1.136 134 D HN 0.500 nan 8.370 nan 0.000 0.499 135 G N 3.972 111.786 108.800 -1.644 0.000 2.920 135 G HA2 -0.157 3.808 3.960 0.009 0.000 0.208 135 G HA3 -0.157 3.808 3.960 0.009 0.000 0.208 135 G C 1.528 175.882 174.900 -0.910 0.000 1.159 135 G CA 0.188 44.575 45.100 -1.189 0.000 0.784 135 G HN 0.619 nan 8.290 nan 0.000 0.535 136 R N -0.660 119.242 120.500 -0.996 0.000 2.096 136 R HA -0.024 4.321 4.340 0.009 0.000 0.235 136 R C 1.680 177.685 176.300 -0.493 0.000 1.127 136 R CA 1.280 57.019 56.100 -0.602 0.000 0.968 136 R CB -0.667 29.270 30.300 -0.605 0.000 0.861 136 R HN 0.296 nan 8.270 nan 0.000 0.440 137 F N 1.480 121.347 119.950 -0.139 0.000 2.128 137 F HA 0.043 4.575 4.527 0.009 0.000 0.295 137 F C 2.289 178.035 175.800 -0.089 0.000 1.100 137 F CA 0.770 58.710 58.000 -0.100 0.000 1.260 137 F CB -0.613 38.316 39.000 -0.118 0.000 1.009 137 F HN -0.126 nan 8.300 nan 0.000 0.476 138 L N -0.202 121.046 121.223 0.042 0.000 2.083 138 L HA -0.197 4.148 4.340 0.009 0.000 0.209 138 L C 2.710 179.586 176.870 0.010 0.000 1.083 138 L CA 1.141 55.972 54.840 -0.015 0.000 0.752 138 L CB -0.932 41.069 42.059 -0.096 0.000 0.899 138 L HN 0.178 nan 8.230 nan 0.000 0.433 139 A N -0.935 121.893 122.820 0.014 0.000 1.877 139 A HA -0.250 4.075 4.320 0.009 0.000 0.216 139 A C 2.289 179.916 177.584 0.071 0.000 1.186 139 A CA 1.635 53.719 52.037 0.078 0.000 0.620 139 A CB -0.519 18.567 19.000 0.143 0.000 0.822 139 A HN 0.381 nan 8.150 nan 0.000 0.443 140 Q N -0.166 119.658 119.800 0.041 0.000 2.020 140 Q HA -0.076 4.270 4.340 0.009 0.000 0.198 140 Q C 2.232 178.264 176.000 0.053 0.000 0.974 140 Q CA 2.034 57.867 55.803 0.050 0.000 0.829 140 Q CB -0.377 28.376 28.738 0.025 0.000 0.894 140 Q HN 0.401 nan 8.270 nan 0.000 0.433 141 V N 1.338 121.284 119.914 0.053 0.000 2.407 141 V HA -0.120 4.005 4.120 0.009 0.000 0.245 141 V C 1.749 177.860 176.094 0.027 0.000 1.041 141 V CA 1.585 63.910 62.300 0.042 0.000 1.040 141 V CB -0.194 31.654 31.823 0.042 0.000 0.671 141 V HN 0.254 nan 8.190 nan 0.000 0.455 142 E N -0.260 119.954 120.200 0.023 0.000 2.481 142 E HA 0.196 4.552 4.350 0.009 0.000 0.198 142 E C 1.696 178.313 176.600 0.029 0.000 1.027 142 E CA 0.715 57.124 56.400 0.016 0.000 0.900 142 E CB 0.473 30.173 29.700 0.000 0.000 0.993 142 E HN 0.595 nan 8.360 nan 0.000 0.482 143 G N 1.785 110.612 108.800 0.045 0.000 2.179 143 G HA2 -0.327 3.639 3.960 0.009 0.000 0.257 143 G HA3 -0.327 3.639 3.960 0.009 0.000 0.257 143 G C 0.543 175.484 174.900 0.069 0.000 1.010 143 G CA 0.428 45.564 45.100 0.061 0.000 0.736 143 G HN 0.485 nan 8.290 nan 0.000 0.513 144 A N -0.943 121.915 122.820 0.064 0.000 2.386 144 A HA 0.685 5.010 4.320 0.009 0.000 0.248 144 A C 0.482 178.141 177.584 0.126 0.000 1.082 144 A CA 0.178 52.259 52.037 0.073 0.000 0.789 144 A CB 1.181 20.205 19.000 0.040 0.000 1.025 144 A HN 1.108 nan 8.150 nan 0.000 0.490 145 V N 2.768 122.764 119.914 0.136 0.000 2.350 145 V HA 0.358 4.483 4.120 0.009 0.000 0.276 145 V C -0.216 176.006 176.094 0.213 0.000 1.028 145 V CA -0.105 62.305 62.300 0.184 0.000 0.860 145 V CB 0.784 32.705 31.823 0.164 0.000 0.990 145 V HN 0.721 nan 8.190 nan 0.000 0.453 146 L N 6.475 127.877 121.223 0.299 0.000 2.329 146 L HA 0.766 5.111 4.340 0.009 0.000 0.279 146 L C -0.819 176.330 176.870 0.466 0.000 1.014 146 L CA -0.242 54.827 54.840 0.381 0.000 0.814 146 L CB 1.869 44.157 42.059 0.382 0.000 1.257 146 L HN 0.420 nan 8.230 nan 0.000 0.424 147 V N 3.059 123.226 119.914 0.422 0.000 2.656 147 V HA 0.696 4.821 4.120 0.009 0.000 0.307 147 V C -0.577 175.758 176.094 0.402 0.000 1.051 147 V CA -0.453 62.052 62.300 0.341 0.000 0.893 147 V CB 2.002 33.953 31.823 0.213 0.000 0.999 147 V HN 0.844 nan 8.190 nan 0.000 0.426 148 S N 5.280 121.211 115.700 0.386 0.000 2.547 148 S HA 0.867 5.342 4.470 0.009 0.000 0.281 148 S C -0.838 173.915 174.600 0.255 0.000 1.118 148 S CA -0.808 57.633 58.200 0.401 0.000 0.947 148 S CB 2.189 65.760 63.200 0.617 0.000 1.053 148 S HN 0.873 nan 8.310 nan 0.000 0.482 149 M N 1.483 121.193 119.600 0.183 0.000 2.662 149 M HA 0.657 5.143 4.480 0.009 0.000 0.310 149 M C -1.664 174.849 176.300 0.355 0.000 1.204 149 M CA -0.518 54.881 55.300 0.165 0.000 0.891 149 M CB 1.243 33.754 32.600 -0.148 0.000 1.732 149 M HN 0.546 nan 8.290 nan 0.000 0.467 150 N N 2.270 121.245 118.700 0.458 0.000 2.524 150 N HA 0.622 5.368 4.740 0.009 0.000 0.283 150 N C -1.456 174.329 175.510 0.459 0.000 1.142 150 N CA 0.101 53.433 53.050 0.471 0.000 0.984 150 N CB 0.711 39.410 38.487 0.354 0.000 1.155 150 N HN 0.715 nan 8.380 nan 0.000 0.467 151 Y N -2.025 118.445 120.300 0.283 0.000 2.534 151 Y HA 0.553 5.109 4.550 0.009 0.000 0.345 151 Y C -0.131 175.903 175.900 0.224 0.000 1.031 151 Y CA -1.312 56.910 58.100 0.202 0.000 1.022 151 Y CB 0.883 39.397 38.460 0.089 0.000 1.292 151 Y HN 0.198 nan 8.280 nan 0.000 0.459 152 R N 1.887 122.524 120.500 0.228 0.000 2.570 152 R HA 0.485 4.830 4.340 0.009 0.000 0.277 152 R C -0.267 176.189 176.300 0.260 0.000 1.039 152 R CA -0.111 56.086 56.100 0.163 0.000 1.065 152 R CB 0.782 31.147 30.300 0.109 0.000 0.964 152 R HN 0.720 nan 8.270 nan 0.000 0.428 153 V N -0.362 119.744 119.914 0.320 0.000 3.158 153 V HA 0.882 5.007 4.120 0.009 0.000 0.315 153 V C 0.746 177.159 176.094 0.532 0.000 1.148 153 V CA -0.154 62.446 62.300 0.501 0.000 1.042 153 V CB 1.182 33.197 31.823 0.321 0.000 1.101 153 V HN 0.969 nan 8.190 nan 0.000 0.448 154 G N 1.679 110.819 108.800 0.567 0.000 2.564 154 G HA2 -0.293 3.673 3.960 0.009 0.000 0.273 154 G HA3 -0.293 3.673 3.960 0.009 0.000 0.273 154 G C 1.030 176.049 174.900 0.197 0.000 1.242 154 G CA 1.531 46.877 45.100 0.409 0.000 0.951 154 G HN 2.360 nan 8.290 nan 0.000 0.564 155 T N -1.805 112.567 114.554 -0.304 0.000 2.746 155 T HA -0.061 4.294 4.350 0.009 0.000 0.267 155 T C 2.163 176.688 174.700 -0.292 0.000 1.039 155 T CA 2.568 64.253 62.100 -0.692 0.000 1.142 155 T CB -0.428 67.871 68.868 -0.949 0.000 0.866 155 T HN 0.614 nan 8.240 nan 0.000 0.444 156 F N 2.298 122.302 119.950 0.089 0.000 2.202 156 F HA 0.181 4.713 4.527 0.009 0.000 0.301 156 F C 2.687 178.484 175.800 -0.005 0.000 1.082 156 F CA 0.897 58.904 58.000 0.012 0.000 1.313 156 F CB -0.932 38.046 39.000 -0.036 0.000 1.024 156 F HN 0.408 nan 8.300 nan 0.000 0.495 157 G N -2.496 106.363 108.800 0.098 0.000 2.833 157 G HA2 0.080 4.045 3.960 0.009 0.000 0.210 157 G HA3 0.080 4.045 3.960 0.009 0.000 0.210 157 G C 0.838 175.228 174.900 -0.849 0.000 1.139 157 G CA 0.127 45.044 45.100 -0.306 0.000 0.771 157 G HN 0.341 nan 8.290 nan 0.000 0.535 158 F N -0.513 119.521 119.950 0.141 0.000 2.915 158 F HA 0.430 4.963 4.527 0.009 0.000 0.347 158 F C 0.494 176.375 175.800 0.135 0.000 1.104 158 F CA -0.959 57.106 58.000 0.109 0.000 1.126 158 F CB 0.393 39.460 39.000 0.112 0.000 1.145 158 F HN -0.080 nan 8.300 nan 0.000 0.541 159 L N 2.018 123.304 121.223 0.105 0.000 2.499 159 L HA 0.554 4.899 4.340 0.009 0.000 0.273 159 L C -0.068 176.776 176.870 -0.042 0.000 1.195 159 L CA 0.056 54.881 54.840 -0.025 0.000 0.882 159 L CB 0.503 42.232 42.059 -0.549 0.000 1.133 159 L HN 0.116 nan 8.230 nan 0.000 0.483 160 A N 6.033 128.867 122.820 0.022 0.000 2.515 160 A HA 0.686 5.011 4.320 0.009 0.000 0.298 160 A C -1.222 176.339 177.584 -0.038 0.000 1.059 160 A CA -0.607 51.417 52.037 -0.022 0.000 0.698 160 A CB 1.448 20.467 19.000 0.033 0.000 1.289 160 A HN 0.700 nan 8.150 nan 0.000 0.404 161 L N 2.427 123.617 121.223 -0.056 0.000 2.445 161 L HA 0.310 4.655 4.340 0.009 0.000 0.252 161 L C -2.532 174.325 176.870 -0.022 0.000 1.105 161 L CA -1.812 53.001 54.840 -0.045 0.000 0.943 161 L CB 1.587 43.606 42.059 -0.066 0.000 1.277 161 L HN 0.408 nan 8.230 nan 0.000 0.465 162 P HA -0.012 nan 4.420 nan 0.000 0.260 162 P C 0.979 178.279 177.300 -0.000 0.000 1.172 162 P CA 1.088 64.188 63.100 -0.000 0.000 0.760 162 P CB 0.756 32.456 31.700 0.000 0.000 0.773 163 G N 1.954 110.758 108.800 0.007 0.000 2.258 163 G HA2 -0.258 3.707 3.960 0.009 0.000 0.233 163 G HA3 -0.258 3.707 3.960 0.009 0.000 0.233 163 G C 0.507 175.411 174.900 0.006 0.000 1.006 163 G CA 0.241 45.346 45.100 0.007 0.000 0.620 163 G HN 0.814 nan 8.290 nan 0.000 0.511 164 S N 0.006 115.707 115.700 0.002 0.000 2.608 164 S HA 0.547 5.022 4.470 0.009 0.000 0.261 164 S C 1.279 175.886 174.600 0.012 0.000 1.314 164 S CA 0.667 58.868 58.200 0.002 0.000 0.992 164 S CB 1.774 64.968 63.200 -0.009 0.000 0.935 164 S HN 0.661 nan 8.310 nan 0.000 0.564 165 R N 0.109 120.619 120.500 0.016 0.000 2.156 165 R HA 0.088 4.433 4.340 0.009 0.000 0.207 165 R C 1.150 177.471 176.300 0.035 0.000 1.040 165 R CA 0.822 56.937 56.100 0.025 0.000 1.013 165 R CB -0.210 30.104 30.300 0.023 0.000 0.931 165 R HN 0.800 nan 8.270 nan 0.000 0.465 166 E N -0.073 120.148 120.200 0.035 0.000 2.435 166 E HA 0.118 4.473 4.350 0.009 0.000 0.195 166 E C -0.143 176.506 176.600 0.080 0.000 1.029 166 E CA 0.694 57.129 56.400 0.059 0.000 0.865 166 E CB 1.045 30.779 29.700 0.057 0.000 0.833 166 E HN 0.305 nan 8.360 nan 0.000 0.510 167 A N 1.047 123.886 122.820 0.031 0.000 3.422 167 A HA 0.252 4.578 4.320 0.009 0.000 0.271 167 A C -2.158 175.425 177.584 -0.002 0.000 1.104 167 A CA -0.859 51.181 52.037 0.004 0.000 0.899 167 A CB 0.471 19.379 19.000 -0.152 0.000 1.309 167 A HN -0.074 nan 8.150 nan 0.000 0.580 168 P HA 0.132 nan 4.420 nan 0.000 0.226 168 P C 0.905 178.221 177.300 0.027 0.000 1.153 168 P CA 1.823 64.939 63.100 0.028 0.000 0.777 168 P CB 0.185 31.911 31.700 0.042 0.000 0.794 169 G N 0.724 109.536 108.800 0.021 0.000 2.699 169 G HA2 -0.168 3.797 3.960 0.009 0.000 0.686 169 G HA3 -0.168 3.797 3.960 0.009 0.000 0.686 169 G C -0.144 174.753 174.900 -0.006 0.000 1.301 169 G CA -0.326 44.787 45.100 0.023 0.000 0.816 169 G HN 0.137 nan 8.290 nan 0.000 0.595 170 N N -2.245 116.445 118.700 -0.017 0.000 2.708 170 N HA -0.286 4.459 4.740 0.009 0.000 0.251 170 N C 1.898 177.260 175.510 -0.246 0.000 1.123 170 N CA 2.311 55.289 53.050 -0.120 0.000 0.739 170 N CB -1.661 36.718 38.487 -0.180 0.000 1.113 170 N HN 1.918 nan 8.380 nan 0.000 0.561 171 V N -2.818 116.947 119.914 -0.248 0.000 2.594 171 V HA -0.008 4.118 4.120 0.009 0.000 0.253 171 V C 2.289 178.255 176.094 -0.213 0.000 1.069 171 V CA 2.205 64.409 62.300 -0.161 0.000 1.082 171 V CB -0.833 30.946 31.823 -0.073 0.000 0.680 171 V HN 0.281 nan 8.190 nan 0.000 0.469 172 G N 0.399 108.876 108.800 -0.539 0.000 2.422 172 G HA2 -0.108 3.857 3.960 0.009 0.000 0.218 172 G HA3 -0.108 3.857 3.960 0.009 0.000 0.218 172 G C 1.532 176.411 174.900 -0.036 0.000 1.140 172 G CA 1.049 45.981 45.100 -0.281 0.000 0.775 172 G HN 0.535 nan 8.290 nan 0.000 0.545 173 L N -0.142 120.994 121.223 -0.146 0.000 2.156 173 L HA 0.095 4.441 4.340 0.009 0.000 0.208 173 L C 2.782 179.658 176.870 0.009 0.000 1.095 173 L CA 0.340 55.050 54.840 -0.216 0.000 0.770 173 L CB -0.266 41.305 42.059 -0.812 0.000 0.914 173 L HN 0.180 nan 8.230 nan 0.000 0.439 174 L N -0.592 120.649 121.223 0.031 0.000 2.141 174 L HA -0.181 4.164 4.340 0.009 0.000 0.209 174 L C 2.141 179.130 176.870 0.199 0.000 1.094 174 L CA 0.779 55.734 54.840 0.192 0.000 0.763 174 L CB -0.561 41.589 42.059 0.151 0.000 0.908 174 L HN 0.275 nan 8.230 nan 0.000 0.437 175 D N 0.023 120.528 120.400 0.175 0.000 2.097 175 D HA -0.199 4.446 4.640 0.009 0.000 0.195 175 D C 2.266 178.731 176.300 0.276 0.000 0.989 175 D CA 1.196 55.377 54.000 0.302 0.000 0.827 175 D CB -0.160 40.834 40.800 0.323 0.000 0.966 175 D HN 0.393 nan 8.370 nan 0.000 0.456 176 Q N 0.144 120.032 119.800 0.147 0.000 2.084 176 Q HA -0.123 4.222 4.340 0.009 0.000 0.202 176 Q C 2.285 178.276 176.000 -0.015 0.000 0.978 176 Q CA 1.007 56.812 55.803 0.003 0.000 0.844 176 Q CB -0.061 28.662 28.738 -0.025 0.000 0.898 176 Q HN 0.194 nan 8.270 nan 0.000 0.426 177 R N 0.612 121.209 120.500 0.161 0.000 2.081 177 R HA -0.176 4.169 4.340 0.009 0.000 0.235 177 R C 2.177 178.539 176.300 0.104 0.000 1.131 177 R CA 1.045 57.230 56.100 0.143 0.000 0.960 177 R CB -0.230 30.265 30.300 0.324 0.000 0.856 177 R HN 0.226 nan 8.270 nan 0.000 0.436 178 L N 0.746 122.065 121.223 0.159 0.000 2.083 178 L HA -0.041 4.304 4.340 0.009 0.000 0.209 178 L C 2.236 179.171 176.870 0.108 0.000 1.083 178 L CA 2.094 57.058 54.840 0.206 0.000 0.752 178 L CB -0.599 41.672 42.059 0.353 0.000 0.899 178 L HN 0.271 nan 8.230 nan 0.000 0.433 179 A N -0.789 121.909 122.820 -0.204 0.000 1.969 179 A HA -0.097 4.228 4.320 0.009 0.000 0.218 179 A C 2.204 179.739 177.584 -0.081 0.000 1.169 179 A CA 1.566 53.310 52.037 -0.488 0.000 0.635 179 A CB -0.712 17.723 19.000 -0.942 0.000 0.810 179 A HN 0.488 nan 8.150 nan 0.000 0.445 180 L N -0.841 120.345 121.223 -0.062 0.000 2.093 180 L HA -0.238 4.107 4.340 0.009 0.000 0.208 180 L C 2.789 179.712 176.870 0.090 0.000 1.085 180 L CA 1.474 56.316 54.840 0.002 0.000 0.755 180 L CB -0.741 41.277 42.059 -0.067 0.000 0.904 180 L HN 0.512 nan 8.230 nan 0.000 0.435 181 Q N -1.100 118.765 119.800 0.109 0.000 2.123 181 Q HA -0.238 4.108 4.340 0.009 0.000 0.199 181 Q C 2.041 178.139 176.000 0.163 0.000 0.966 181 Q CA 1.699 57.575 55.803 0.122 0.000 0.845 181 Q CB -0.267 28.546 28.738 0.125 0.000 0.907 181 Q HN 0.552 nan 8.270 nan 0.000 0.439 182 W N 0.896 122.214 121.300 0.030 0.000 2.338 182 W HA -0.218 4.447 4.660 0.008 0.000 0.304 182 W C 1.826 178.377 176.519 0.055 0.000 1.212 182 W CA 1.277 58.658 57.345 0.061 0.000 1.264 182 W CB -0.034 29.465 29.460 0.064 0.000 1.142 182 W HN -0.163 nan 8.180 nan 0.000 0.512 183 V N 0.855 120.996 119.914 0.378 0.000 2.358 183 V HA -0.326 3.799 4.120 0.009 0.000 0.246 183 V C 2.560 178.681 176.094 0.045 0.000 1.047 183 V CA 1.987 64.433 62.300 0.242 0.000 1.035 183 V CB -0.976 30.996 31.823 0.249 0.000 0.658 183 V HN 0.189 nan 8.190 nan 0.000 0.452 184 Q N -0.119 119.714 119.800 0.054 0.000 2.061 184 Q HA -0.269 4.076 4.340 0.009 0.000 0.204 184 Q C 2.266 178.240 176.000 -0.043 0.000 0.984 184 Q CA 2.188 58.007 55.803 0.026 0.000 0.846 184 Q CB -0.306 28.456 28.738 0.039 0.000 0.902 184 Q HN 0.791 nan 8.270 nan 0.000 0.421 185 E N -0.337 119.801 120.200 -0.103 0.000 2.158 185 E HA -0.080 4.275 4.350 0.009 0.000 0.191 185 E C 1.101 177.541 176.600 -0.266 0.000 0.982 185 E CA 0.690 56.991 56.400 -0.166 0.000 0.823 185 E CB 0.299 29.899 29.700 -0.167 0.000 0.766 185 E HN 0.294 nan 8.360 nan 0.000 0.468 186 N N -0.086 118.345 118.700 -0.448 0.000 2.227 186 N HA -0.006 4.739 4.740 0.009 0.000 0.196 186 N C 1.431 176.815 175.510 -0.211 0.000 1.142 186 N CA 0.033 52.772 53.050 -0.519 0.000 0.887 186 N CB 0.380 38.131 38.487 -1.227 0.000 1.022 186 N HN 0.130 nan 8.380 nan 0.000 0.500 187 I N 2.356 122.872 120.570 -0.090 0.000 2.454 187 I HA -0.112 4.063 4.170 0.009 0.000 0.254 187 I C 2.156 178.378 176.117 0.174 0.000 1.156 187 I CA 0.534 61.925 61.300 0.152 0.000 1.433 187 I CB -0.267 37.811 38.000 0.130 0.000 1.082 187 I HN 0.049 nan 8.210 nan 0.000 0.432 188 A N 0.234 123.080 122.820 0.044 0.000 1.972 188 A HA -0.123 4.202 4.320 0.009 0.000 0.219 188 A C 2.456 180.026 177.584 -0.023 0.000 1.169 188 A CA 1.552 53.598 52.037 0.014 0.000 0.635 188 A CB -1.064 17.920 19.000 -0.028 0.000 0.810 188 A HN 0.463 nan 8.150 nan 0.000 0.446 189 A N -1.660 121.102 122.820 -0.098 0.000 2.125 189 A HA 0.096 4.421 4.320 0.009 0.000 0.219 189 A C 1.484 178.818 177.584 -0.417 0.000 1.156 189 A CA 1.149 53.009 52.037 -0.294 0.000 0.671 189 A CB -0.619 18.101 19.000 -0.465 0.000 0.794 189 A HN 0.506 nan 8.150 nan 0.000 0.459 190 F N -1.659 118.234 119.950 -0.095 0.000 2.678 190 F HA 0.394 4.926 4.527 0.009 0.000 0.305 190 F C 1.735 177.532 175.800 -0.006 0.000 1.090 190 F CA 0.502 58.456 58.000 -0.075 0.000 1.272 190 F CB 0.440 39.404 39.000 -0.059 0.000 1.060 190 F HN 0.308 nan 8.300 nan 0.000 0.576 191 G N 0.277 109.156 108.800 0.131 0.000 2.159 191 G HA2 -0.154 3.811 3.960 0.009 0.000 0.227 191 G HA3 -0.154 3.811 3.960 0.009 0.000 0.227 191 G C 0.573 175.536 174.900 0.105 0.000 0.986 191 G CA -0.324 44.832 45.100 0.093 0.000 0.651 191 G HN 0.701 nan 8.290 nan 0.000 0.523 192 G N -0.464 108.419 108.800 0.138 0.000 2.448 192 G HA2 0.490 4.455 3.960 0.009 0.000 0.285 192 G HA3 0.490 4.455 3.960 0.009 0.000 0.285 192 G C -0.779 174.167 174.900 0.076 0.000 1.176 192 G CA 0.268 45.438 45.100 0.117 0.000 0.852 192 G HN 0.232 nan 8.290 nan 0.000 0.530 193 D N 1.350 121.785 120.400 0.058 0.000 2.396 193 D HA 0.279 4.925 4.640 0.009 0.000 0.225 193 D C -1.144 175.181 176.300 0.042 0.000 1.121 193 D CA -2.417 51.600 54.000 0.028 0.000 0.853 193 D CB 1.940 42.739 40.800 -0.002 0.000 1.043 193 D HN 0.060 nan 8.370 nan 0.000 0.500 194 P HA -0.091 nan 4.420 nan 0.000 0.230 194 P C 1.154 178.523 177.300 0.115 0.000 1.158 194 P CA 0.443 63.595 63.100 0.087 0.000 0.769 194 P CB 0.241 31.975 31.700 0.057 0.000 0.807 195 M N -0.935 118.656 119.600 -0.014 0.000 2.595 195 M HA 0.091 4.576 4.480 0.009 0.000 0.248 195 M C 0.874 176.814 176.300 -0.600 0.000 1.119 195 M CA 0.560 55.738 55.300 -0.202 0.000 1.079 195 M CB -0.894 31.609 32.600 -0.162 0.000 1.472 195 M HN -0.142 nan 8.290 nan 0.000 0.501 196 S N 0.940 116.489 115.700 -0.251 0.000 2.279 196 S HA 0.488 4.963 4.470 0.009 0.000 0.176 196 S C -1.066 173.598 174.600 0.107 0.000 1.554 196 S CA -0.423 57.666 58.200 -0.184 0.000 1.242 196 S CB 0.345 63.467 63.200 -0.131 0.000 1.163 196 S HN -0.037 nan 8.310 nan 0.000 0.449 197 V N 3.981 124.145 119.914 0.417 0.000 2.409 197 V HA 0.554 4.679 4.120 0.009 0.000 0.291 197 V C 0.000 176.283 176.094 0.314 0.000 1.020 197 V CA -0.472 62.026 62.300 0.331 0.000 0.848 197 V CB 1.932 33.946 31.823 0.319 0.000 0.990 197 V HN 0.710 nan 8.190 nan 0.000 0.430 198 T N 6.490 121.172 114.554 0.213 0.000 2.792 198 T HA 0.595 4.951 4.350 0.009 0.000 0.280 198 T C -0.289 174.548 174.700 0.228 0.000 0.990 198 T CA -0.350 61.873 62.100 0.205 0.000 0.960 198 T CB 0.924 69.858 68.868 0.110 0.000 0.939 198 T HN 0.344 nan 8.240 nan 0.000 0.439 199 L N 4.913 126.243 121.223 0.178 0.000 2.326 199 L HA 0.689 5.035 4.340 0.009 0.000 0.278 199 L C -0.497 176.577 176.870 0.340 0.000 1.092 199 L CA -0.845 54.074 54.840 0.131 0.000 0.810 199 L CB 0.409 42.330 42.059 -0.230 0.000 1.153 199 L HN 0.637 nan 8.230 nan 0.000 0.439 200 F N 0.631 120.643 119.950 0.104 0.000 2.591 200 F HA 0.952 5.484 4.527 0.008 0.000 0.309 200 F C -0.330 175.473 175.800 0.005 0.000 1.098 200 F CA -1.299 56.817 58.000 0.193 0.000 0.937 200 F CB 1.593 40.848 39.000 0.425 0.000 1.250 200 F HN 0.466 nan 8.300 nan 0.000 0.447 201 G N 1.307 109.989 108.800 -0.195 0.000 2.623 201 G HA2 0.505 4.471 3.960 0.009 0.000 0.290 201 G HA3 0.505 4.471 3.960 0.009 0.000 0.290 201 G C -2.524 172.141 174.900 -0.392 0.000 1.437 201 G CA -0.789 43.765 45.100 -0.910 0.000 0.798 201 G HN 0.859 nan 8.290 nan 0.000 0.488 202 E N 0.149 120.073 120.200 -0.460 0.000 2.288 202 E HA 0.634 4.989 4.350 0.009 0.000 0.268 202 E C 0.645 177.171 176.600 -0.124 0.000 0.885 202 E CA 0.275 56.630 56.400 -0.074 0.000 0.767 202 E CB 2.225 32.025 29.700 0.167 0.000 1.220 202 E HN 0.903 nan 8.360 nan 0.000 0.427 203 S N 2.682 118.375 115.700 -0.013 0.000 4.114 203 S HA -0.399 4.076 4.470 0.009 0.000 0.618 203 S C 1.496 176.171 174.600 0.125 0.000 1.937 203 S CA 2.358 60.627 58.200 0.115 0.000 4.228 203 S CB -1.626 61.576 63.200 0.003 0.000 0.216 203 S HN 1.001 nan 8.310 nan 0.000 0.528 204 A N 1.104 123.847 122.820 -0.128 0.000 2.024 204 A HA 0.140 4.465 4.320 0.009 0.000 0.220 204 A C 2.494 179.800 177.584 -0.462 0.000 1.164 204 A CA 2.472 54.225 52.037 -0.473 0.000 0.643 204 A CB -1.586 16.704 19.000 -1.184 0.000 0.806 204 A HN 1.591 nan 8.150 nan 0.000 0.451 205 G N -0.601 107.985 108.800 -0.357 0.000 2.402 205 G HA2 0.035 4.000 3.960 0.009 0.000 0.216 205 G HA3 0.035 4.000 3.960 0.009 0.000 0.216 205 G C 1.723 176.433 174.900 -0.318 0.000 1.162 205 G CA 1.281 46.120 45.100 -0.435 0.000 0.777 205 G HN 0.762 nan 8.290 nan 0.000 0.539 206 A N 1.187 123.895 122.820 -0.186 0.000 1.898 206 A HA 0.326 4.651 4.320 0.009 0.000 0.216 206 A C 2.814 180.368 177.584 -0.050 0.000 1.181 206 A CA 2.115 54.107 52.037 -0.075 0.000 0.620 206 A CB -0.789 18.228 19.000 0.029 0.000 0.819 206 A HN 0.749 nan 8.150 nan 0.000 0.442 207 A N -0.460 122.352 122.820 -0.013 0.000 1.908 207 A HA -0.091 4.234 4.320 0.009 0.000 0.218 207 A C 2.443 180.014 177.584 -0.022 0.000 1.181 207 A CA 2.127 54.147 52.037 -0.028 0.000 0.627 207 A CB -0.884 18.118 19.000 0.003 0.000 0.818 207 A HN 0.446 nan 8.150 nan 0.000 0.445 208 S N -0.476 115.205 115.700 -0.031 0.000 2.356 208 S HA -0.147 4.328 4.470 0.009 0.000 0.223 208 S C 1.915 176.454 174.600 -0.100 0.000 1.032 208 S CA 1.455 59.599 58.200 -0.093 0.000 1.005 208 S CB -0.551 62.532 63.200 -0.196 0.000 0.867 208 S HN 0.350 nan 8.310 nan 0.000 0.449 209 V N 1.668 121.538 119.914 -0.074 0.000 2.332 209 V HA -0.200 3.925 4.120 0.009 0.000 0.248 209 V C 2.599 178.676 176.094 -0.028 0.000 1.055 209 V CA 2.032 64.303 62.300 -0.047 0.000 1.038 209 V CB -1.483 30.288 31.823 -0.087 0.000 0.651 209 V HN 0.609 nan 8.190 nan 0.000 0.450 210 G N -1.121 107.655 108.800 -0.041 0.000 2.422 210 G HA2 -0.266 3.700 3.960 0.009 0.000 0.218 210 G HA3 -0.266 3.700 3.960 0.009 0.000 0.218 210 G C 1.608 176.506 174.900 -0.003 0.000 1.146 210 G CA 0.987 46.068 45.100 -0.032 0.000 0.769 210 G HN 0.454 nan 8.290 nan 0.000 0.547 211 M N -0.495 119.085 119.600 -0.034 0.000 2.319 211 M HA 0.046 4.531 4.480 0.009 0.000 0.265 211 M C 2.182 178.541 176.300 0.098 0.000 1.068 211 M CA 0.942 56.255 55.300 0.023 0.000 1.118 211 M CB -0.128 32.447 32.600 -0.041 0.000 1.395 211 M HN 0.325 nan 8.290 nan 0.000 0.435 212 H N -0.268 118.908 119.070 0.176 0.000 2.428 212 H HA 0.003 4.564 4.556 0.008 0.000 0.296 212 H C 1.932 177.440 175.328 0.300 0.000 1.062 212 H CA 1.264 57.428 56.048 0.194 0.000 1.350 212 H CB 0.075 29.821 29.762 -0.026 0.000 1.403 212 H HN 0.302 nan 8.280 nan 0.000 0.533 213 I N 0.327 121.120 120.570 0.372 0.000 2.394 213 I HA -0.210 3.965 4.170 0.009 0.000 0.251 213 I C 1.230 177.512 176.117 0.276 0.000 1.136 213 I CA 1.114 62.661 61.300 0.411 0.000 1.425 213 I CB 0.021 38.162 38.000 0.235 0.000 1.079 213 I HN 0.265 nan 8.210 nan 0.000 0.425 214 L N -0.852 120.484 121.223 0.189 0.000 2.592 214 L HA 0.103 4.448 4.340 0.009 0.000 0.227 214 L C 0.913 177.828 176.870 0.076 0.000 1.127 214 L CA 0.054 54.989 54.840 0.159 0.000 0.884 214 L CB -0.049 42.081 42.059 0.118 0.000 1.065 214 L HN 0.005 nan 8.230 nan 0.000 0.457 215 S N 0.210 115.924 115.700 0.023 0.000 2.498 215 S HA 0.258 4.733 4.470 0.009 0.000 0.324 215 S C 1.093 175.624 174.600 -0.115 0.000 1.071 215 S CA -0.621 57.473 58.200 -0.177 0.000 1.113 215 S CB 0.973 63.790 63.200 -0.639 0.000 0.976 215 S HN 0.062 nan 8.310 nan 0.000 0.462 216 L N 6.362 127.524 121.223 -0.102 0.000 1.991 216 L HA -0.058 4.287 4.340 0.009 0.000 0.221 216 L C -0.718 176.110 176.870 -0.070 0.000 1.079 216 L CA 2.476 57.273 54.840 -0.071 0.000 0.778 216 L CB -2.392 39.626 42.059 -0.068 0.000 0.893 216 L HN 0.523 nan 8.230 nan 0.000 0.437 217 P HA -0.092 nan 4.420 nan 0.000 0.219 217 P C 1.762 179.057 177.300 -0.009 0.000 1.146 217 P CA 1.226 64.290 63.100 -0.060 0.000 0.808 217 P CB 0.092 31.744 31.700 -0.080 0.000 0.779 218 S N -1.154 114.561 115.700 0.024 0.000 2.446 218 S HA 0.006 4.481 4.470 0.009 0.000 0.225 218 S C 1.817 176.541 174.600 0.206 0.000 1.016 218 S CA 0.396 58.713 58.200 0.194 0.000 0.943 218 S CB -0.376 63.075 63.200 0.418 0.000 0.786 218 S HN 0.055 nan 8.310 nan 0.000 0.508 219 R N 2.218 122.742 120.500 0.041 0.000 2.139 219 R HA -0.038 4.307 4.340 0.009 0.000 0.243 219 R C 2.229 178.312 176.300 -0.361 0.000 1.145 219 R CA 1.510 57.468 56.100 -0.236 0.000 0.976 219 R CB -1.294 28.912 30.300 -0.156 0.000 0.866 219 R HN 0.584 nan 8.270 nan 0.000 0.449 220 S N -0.161 115.435 115.700 -0.174 0.000 2.603 220 S HA 0.085 4.561 4.470 0.009 0.000 0.220 220 S C 1.656 176.171 174.600 -0.142 0.000 0.967 220 S CA 0.175 58.280 58.200 -0.159 0.000 0.920 220 S CB -0.143 63.013 63.200 -0.074 0.000 0.773 220 S HN 0.216 nan 8.310 nan 0.000 0.529 221 L N 0.390 121.561 121.223 -0.086 0.000 2.640 221 L HA 0.483 4.829 4.340 0.009 0.000 0.230 221 L C 0.012 176.921 176.870 0.065 0.000 1.123 221 L CA -0.349 54.508 54.840 0.028 0.000 0.900 221 L CB -0.107 42.019 42.059 0.112 0.000 1.146 221 L HN 0.496 nan 8.230 nan 0.000 0.484 222 F N -4.188 115.562 119.950 -0.334 0.000 2.741 222 F HA 0.458 4.990 4.527 0.008 0.000 0.313 222 F C 0.222 175.611 175.800 -0.685 0.000 1.153 222 F CA -1.108 56.645 58.000 -0.411 0.000 0.931 222 F CB 0.865 39.786 39.000 -0.131 0.000 1.335 222 F HN -0.140 nan 8.300 nan 0.000 0.460 223 H N -1.136 117.994 119.070 0.100 0.000 2.927 223 H HA 0.524 5.085 4.556 0.008 0.000 0.255 223 H C -0.196 175.170 175.328 0.064 0.000 0.974 223 H CA -0.142 55.889 56.048 -0.029 0.000 1.199 223 H CB 0.631 30.376 29.762 -0.028 0.000 1.447 223 H HN 0.394 nan 8.280 nan 0.000 0.467 224 R N 0.064 120.748 120.500 0.306 0.000 2.799 224 R HA 0.808 5.154 4.340 0.009 0.000 0.270 224 R C -1.506 175.039 176.300 0.407 0.000 1.010 224 R CA -0.881 55.377 56.100 0.262 0.000 0.916 224 R CB 2.608 32.874 30.300 -0.057 0.000 1.228 224 R HN 0.170 nan 8.270 nan 0.000 0.469 225 A N 1.020 124.099 122.820 0.431 0.000 2.515 225 A HA 0.673 4.998 4.320 0.009 0.000 0.298 225 A C -1.451 176.285 177.584 0.252 0.000 1.059 225 A CA -0.611 51.611 52.037 0.309 0.000 0.698 225 A CB 1.907 21.044 19.000 0.229 0.000 1.289 225 A HN 0.307 nan 8.150 nan 0.000 0.404 226 V N 2.142 122.170 119.914 0.191 0.000 2.444 226 V HA 0.487 4.612 4.120 0.009 0.000 0.294 226 V C -1.120 175.070 176.094 0.160 0.000 1.022 226 V CA -0.298 62.060 62.300 0.097 0.000 0.850 226 V CB 1.168 33.069 31.823 0.130 0.000 0.992 226 V HN 0.674 nan 8.190 nan 0.000 0.426 227 L N 5.282 126.564 121.223 0.098 0.000 2.295 227 L HA 0.509 4.854 4.340 0.009 0.000 0.281 227 L C 0.079 177.043 176.870 0.158 0.000 1.018 227 L CA 0.061 54.956 54.840 0.093 0.000 0.841 227 L CB 1.445 43.513 42.059 0.014 0.000 1.218 227 L HN 0.625 nan 8.230 nan 0.000 0.424 228 Q N 2.029 121.974 119.800 0.243 0.000 2.331 228 Q HA 0.411 4.756 4.340 0.009 0.000 0.257 228 Q C 0.191 176.311 176.000 0.200 0.000 0.957 228 Q CA -0.500 55.499 55.803 0.327 0.000 0.923 228 Q CB 1.172 30.193 28.738 0.472 0.000 1.212 228 Q HN 0.622 nan 8.270 nan 0.000 0.443 229 S N 1.108 116.917 115.700 0.182 0.000 3.559 229 S HA -0.168 4.307 4.470 0.009 0.000 0.369 229 S C 0.052 174.837 174.600 0.309 0.000 0.987 229 S CA 0.518 58.852 58.200 0.223 0.000 1.187 229 S CB -1.214 62.108 63.200 0.204 0.000 0.914 229 S HN 0.986 nan 8.310 nan 0.000 0.480 230 G N -0.425 108.515 108.800 0.234 0.000 2.616 230 G HA2 0.670 4.635 3.960 0.009 0.000 0.294 230 G HA3 0.670 4.635 3.960 0.009 0.000 0.294 230 G C -0.916 174.046 174.900 0.103 0.000 1.489 230 G CA 0.174 45.463 45.100 0.316 0.000 0.836 230 G HN 1.013 nan 8.290 nan 0.000 0.527 231 T N -1.438 113.109 114.554 -0.010 0.000 2.853 231 T HA 0.727 5.082 4.350 0.009 0.000 0.311 231 T C -2.414 172.129 174.700 -0.261 0.000 1.307 231 T CA -1.185 60.836 62.100 -0.132 0.000 1.019 231 T CB 2.995 71.774 68.868 -0.149 0.000 1.264 231 T HN 0.308 nan 8.240 nan 0.000 0.497 232 P HA 0.003 nan 4.420 nan 0.000 0.222 232 P C 0.209 177.344 177.300 -0.275 0.000 1.153 232 P CA 0.583 63.550 63.100 -0.222 0.000 0.798 232 P CB 0.011 31.635 31.700 -0.127 0.000 0.796 233 N N 0.572 119.125 118.700 -0.246 0.000 2.413 233 N HA 0.349 5.094 4.740 0.009 0.000 0.266 233 N C 0.666 175.966 175.510 -0.350 0.000 1.238 233 N CA 0.366 53.273 53.050 -0.238 0.000 0.972 233 N CB 0.569 38.960 38.487 -0.161 0.000 1.210 233 N HN 0.164 nan 8.380 nan 0.000 0.547 234 G N -0.874 107.738 108.800 -0.315 0.000 2.479 234 G HA2 -0.098 3.867 3.960 0.009 0.000 0.686 234 G HA3 -0.098 3.867 3.960 0.009 0.000 0.686 234 G C -2.237 172.416 174.900 -0.410 0.000 1.295 234 G CA -0.238 44.622 45.100 -0.400 0.000 0.922 234 G HN 0.548 nan 8.290 nan 0.000 0.582 235 P HA 0.101 nan 4.420 nan 0.000 0.236 235 P C 1.292 178.517 177.300 -0.126 0.000 1.177 235 P CA 1.993 64.938 63.100 -0.259 0.000 0.773 235 P CB -0.047 31.454 31.700 -0.331 0.000 0.878 236 W N -2.046 119.152 121.300 -0.171 0.000 2.773 236 W HA 0.552 5.217 4.660 0.007 0.000 0.297 236 W C 1.105 177.693 176.519 0.115 0.000 1.050 236 W CA 0.424 57.752 57.345 -0.029 0.000 1.467 236 W CB -0.717 28.764 29.460 0.034 0.000 0.977 236 W HN -0.166 nan 8.180 nan 0.000 0.573 237 A N 2.116 124.555 122.820 -0.634 0.000 2.066 237 A HA 0.095 4.420 4.320 0.009 0.000 0.218 237 A C 1.148 178.574 177.584 -0.265 0.000 1.157 237 A CA 1.985 53.736 52.037 -0.477 0.000 0.670 237 A CB -0.832 17.659 19.000 -0.849 0.000 0.804 237 A HN 0.268 nan 8.150 nan 0.000 0.453 238 T N -3.396 111.019 114.554 -0.232 0.000 2.864 238 T HA 0.603 4.958 4.350 0.009 0.000 0.299 238 T C -0.701 173.918 174.700 -0.134 0.000 1.166 238 T CA -0.130 61.850 62.100 -0.201 0.000 1.007 238 T CB 1.472 70.231 68.868 -0.181 0.000 1.219 238 T HN 0.910 nan 8.240 nan 0.000 0.506 239 V N -1.088 118.755 119.914 -0.118 0.000 3.040 239 V HA 0.915 5.040 4.120 0.009 0.000 0.312 239 V C 0.311 176.362 176.094 -0.072 0.000 1.115 239 V CA -0.849 61.398 62.300 -0.089 0.000 0.998 239 V CB 1.362 33.130 31.823 -0.093 0.000 1.042 239 V HN 1.381 nan 8.190 nan 0.000 0.433 240 S N 1.834 117.499 115.700 -0.059 0.000 2.600 240 S HA 0.580 5.055 4.470 0.009 0.000 0.265 240 S C 1.408 175.986 174.600 -0.036 0.000 1.325 240 S CA 0.104 58.277 58.200 -0.044 0.000 1.002 240 S CB 1.200 64.376 63.200 -0.039 0.000 0.921 240 S HN 1.942 nan 8.310 nan 0.000 0.554 241 A N 1.943 124.748 122.820 -0.025 0.000 1.908 241 A HA 0.105 4.430 4.320 0.009 0.000 0.218 241 A C 2.232 179.804 177.584 -0.020 0.000 1.181 241 A CA 1.772 53.798 52.037 -0.017 0.000 0.627 241 A CB -1.873 17.121 19.000 -0.010 0.000 0.818 241 A HN 1.169 nan 8.150 nan 0.000 0.445 242 G N -0.440 108.346 108.800 -0.023 0.000 2.440 242 G HA2 -0.268 3.697 3.960 0.009 0.000 0.218 242 G HA3 -0.268 3.697 3.960 0.009 0.000 0.218 242 G C 1.474 176.356 174.900 -0.030 0.000 1.154 242 G CA 1.431 46.517 45.100 -0.023 0.000 0.767 242 G HN 0.595 nan 8.290 nan 0.000 0.552 243 E N 0.903 121.080 120.200 -0.040 0.000 2.107 243 E HA 0.118 4.473 4.350 0.009 0.000 0.191 243 E C 2.632 179.193 176.600 -0.066 0.000 0.982 243 E CA 1.336 57.703 56.400 -0.054 0.000 0.809 243 E CB -0.510 29.152 29.700 -0.064 0.000 0.756 243 E HN 0.277 nan 8.360 nan 0.000 0.459 244 A N 1.043 123.831 122.820 -0.052 0.000 1.877 244 A HA -0.194 4.131 4.320 0.009 0.000 0.216 244 A C 2.303 179.882 177.584 -0.009 0.000 1.186 244 A CA 1.813 53.828 52.037 -0.035 0.000 0.620 244 A CB -0.666 18.332 19.000 -0.003 0.000 0.822 244 A HN 0.293 nan 8.150 nan 0.000 0.443 245 R N -0.559 119.933 120.500 -0.013 0.000 2.083 245 R HA -0.160 4.185 4.340 0.009 0.000 0.237 245 R C 2.459 178.753 176.300 -0.010 0.000 1.137 245 R CA 1.718 57.812 56.100 -0.011 0.000 0.951 245 R CB -0.354 29.937 30.300 -0.016 0.000 0.851 245 R HN 0.516 nan 8.270 nan 0.000 0.434 246 R N 0.411 120.899 120.500 -0.019 0.000 2.083 246 R HA -0.156 4.189 4.340 0.009 0.000 0.237 246 R C 2.313 178.604 176.300 -0.015 0.000 1.137 246 R CA 2.029 58.118 56.100 -0.019 0.000 0.951 246 R CB -0.136 30.147 30.300 -0.029 0.000 0.851 246 R HN 0.299 nan 8.270 nan 0.000 0.434 247 R N -0.330 120.146 120.500 -0.040 0.000 2.081 247 R HA -0.072 4.274 4.340 0.009 0.000 0.235 247 R C 2.357 178.725 176.300 0.113 0.000 1.131 247 R CA 1.310 57.378 56.100 -0.052 0.000 0.960 247 R CB -0.340 29.783 30.300 -0.296 0.000 0.856 247 R HN 0.256 nan 8.270 nan 0.000 0.436 248 A N 0.903 123.814 122.820 0.150 0.000 1.877 248 A HA -0.197 4.128 4.320 0.009 0.000 0.216 248 A C 2.333 179.939 177.584 0.036 0.000 1.186 248 A CA 2.148 54.272 52.037 0.145 0.000 0.620 248 A CB -0.998 18.022 19.000 0.033 0.000 0.822 248 A HN 0.514 nan 8.150 nan 0.000 0.443 249 T N -2.119 112.443 114.554 0.014 0.000 2.857 249 T HA -0.091 4.264 4.350 0.009 0.000 0.266 249 T C 1.776 176.483 174.700 0.011 0.000 1.048 249 T CA 1.437 63.534 62.100 -0.004 0.000 1.139 249 T CB -0.422 68.440 68.868 -0.010 0.000 0.874 249 T HN 0.233 nan 8.240 nan 0.000 0.455 250 L N 0.722 121.964 121.223 0.031 0.000 2.056 250 L HA 0.249 4.594 4.340 0.009 0.000 0.207 250 L C 2.343 179.249 176.870 0.061 0.000 1.078 250 L CA 1.507 56.372 54.840 0.041 0.000 0.749 250 L CB -1.084 41.003 42.059 0.046 0.000 0.901 250 L HN 0.377 nan 8.230 nan 0.000 0.433 251 L N -0.228 121.055 121.223 0.100 0.000 2.046 251 L HA -0.115 4.230 4.340 0.009 0.000 0.208 251 L C 2.530 179.407 176.870 0.011 0.000 1.077 251 L CA 1.940 56.842 54.840 0.102 0.000 0.747 251 L CB -0.767 41.389 42.059 0.162 0.000 0.896 251 L HN 0.290 nan 8.230 nan 0.000 0.432 252 A N -0.232 122.579 122.820 -0.015 0.000 1.892 252 A HA -0.281 4.044 4.320 0.009 0.000 0.218 252 A C 2.427 179.990 177.584 -0.035 0.000 1.188 252 A CA 2.119 54.133 52.037 -0.040 0.000 0.631 252 A CB -0.680 18.292 19.000 -0.048 0.000 0.822 252 A HN 0.515 nan 8.150 nan 0.000 0.447 253 R N -0.761 119.726 120.500 -0.021 0.000 2.083 253 R HA -0.087 4.258 4.340 0.009 0.000 0.237 253 R C 2.054 178.327 176.300 -0.045 0.000 1.137 253 R CA 1.615 57.702 56.100 -0.022 0.000 0.951 253 R CB -0.562 29.735 30.300 -0.005 0.000 0.851 253 R HN 0.556 nan 8.270 nan 0.000 0.434 254 L N 0.698 121.890 121.223 -0.052 0.000 2.261 254 L HA -0.117 4.228 4.340 0.009 0.000 0.216 254 L C 1.818 178.496 176.870 -0.320 0.000 1.114 254 L CA 0.754 55.513 54.840 -0.135 0.000 0.777 254 L CB -0.192 41.833 42.059 -0.058 0.000 0.910 254 L HN 0.183 nan 8.230 nan 0.000 0.440 255 V N -4.073 115.712 119.914 -0.216 0.000 3.214 255 V HA 0.547 4.672 4.120 0.009 0.000 0.330 255 V C 1.012 177.057 176.094 -0.081 0.000 1.403 255 V CA 0.122 62.309 62.300 -0.188 0.000 1.143 255 V CB -0.161 31.593 31.823 -0.114 0.000 1.098 255 V HN 0.381 nan 8.190 nan 0.000 0.463 256 G N -0.250 108.511 108.800 -0.065 0.000 2.171 256 G HA2 -0.208 3.757 3.960 0.009 0.000 0.238 256 G HA3 -0.208 3.757 3.960 0.009 0.000 0.238 256 G C -0.072 174.816 174.900 -0.020 0.000 1.039 256 G CA 0.000 45.081 45.100 -0.032 0.000 0.759 256 G HN 0.771 nan 8.290 nan 0.000 0.501 257 c N 0.905 119.491 118.600 -0.023 0.000 2.634 257 c HA 0.859 5.434 4.570 0.009 0.000 0.313 257 c C -1.436 172.643 174.090 -0.017 0.000 1.198 257 c CA -1.113 55.206 56.329 -0.016 0.000 1.605 257 c CB 2.259 44.759 42.510 -0.017 0.000 2.196 257 c HN 0.471 nan 8.230 nan 0.000 0.486 265 N N -0.914 117.782 118.700 -0.006 0.000 2.380 265 N HA 0.313 5.058 4.740 0.009 0.000 0.290 265 N C -0.315 175.189 175.510 -0.011 0.000 1.236 265 N CA -0.432 52.614 53.050 -0.007 0.000 0.780 265 N CB 2.106 40.590 38.487 -0.003 0.000 1.438 265 N HN 0.252 nan 8.380 nan 0.000 0.491 266 D N 0.635 121.028 120.400 -0.013 0.000 2.116 266 D HA -0.130 4.516 4.640 0.009 0.000 0.193 266 D C 1.302 177.594 176.300 -0.015 0.000 0.998 266 D CA 2.076 56.064 54.000 -0.020 0.000 0.836 266 D CB -0.578 40.211 40.800 -0.020 0.000 0.951 266 D HN 0.700 nan 8.370 nan 0.000 0.449 267 T N 1.217 115.769 114.554 -0.003 0.000 2.653 267 T HA -0.192 4.163 4.350 0.009 0.000 0.268 267 T C 1.801 176.506 174.700 0.008 0.000 1.035 267 T CA 1.549 63.653 62.100 0.006 0.000 1.154 267 T CB -0.297 68.576 68.868 0.009 0.000 0.862 267 T HN 0.352 nan 8.240 nan 0.000 0.441 268 E N 0.573 120.775 120.200 0.003 0.000 2.072 268 E HA -0.016 4.339 4.350 0.009 0.000 0.191 268 E C 2.275 178.876 176.600 0.002 0.000 0.985 268 E CA 0.665 57.068 56.400 0.005 0.000 0.801 268 E CB -0.283 29.418 29.700 0.002 0.000 0.750 268 E HN 0.372 nan 8.360 nan 0.000 0.452 269 L N 1.018 122.235 121.223 -0.010 0.000 1.994 269 L HA -0.210 4.135 4.340 0.009 0.000 0.208 269 L C 2.311 179.168 176.870 -0.022 0.000 1.071 269 L CA 1.361 56.188 54.840 -0.022 0.000 0.745 269 L CB -0.127 41.909 42.059 -0.038 0.000 0.892 269 L HN 0.113 nan 8.230 nan 0.000 0.431 270 I N 0.048 120.603 120.570 -0.025 0.000 2.226 270 I HA -0.278 3.897 4.170 0.009 0.000 0.245 270 I C 2.760 178.925 176.117 0.081 0.000 1.100 270 I CA 1.153 62.454 61.300 0.001 0.000 1.374 270 I CB -0.570 37.432 38.000 0.003 0.000 1.057 270 I HN 0.341 nan 8.210 nan 0.000 0.413 271 A N -0.375 122.478 122.820 0.054 0.000 1.933 271 A HA -0.292 4.033 4.320 0.009 0.000 0.218 271 A C 2.519 180.135 177.584 0.054 0.000 1.175 271 A CA 1.976 54.047 52.037 0.056 0.000 0.628 271 A CB -1.303 17.718 19.000 0.034 0.000 0.814 271 A HN 0.639 nan 8.150 nan 0.000 0.444 272 c N -0.704 117.920 118.600 0.039 0.000 2.466 272 c HA 0.075 4.651 4.570 0.009 0.000 0.278 272 c C 2.565 176.686 174.090 0.052 0.000 1.288 272 c CA 0.934 57.283 56.329 0.033 0.000 1.722 272 c CB -1.515 41.004 42.510 0.015 0.000 2.017 272 c HN 0.586 nan 8.230 nan 0.000 0.488 273 L N 0.503 121.769 121.223 0.072 0.000 2.079 273 L HA -0.137 4.208 4.340 0.009 0.000 0.210 273 L C 2.937 179.921 176.870 0.190 0.000 1.081 273 L CA 1.597 56.514 54.840 0.127 0.000 0.752 273 L CB -0.660 41.477 42.059 0.130 0.000 0.896 273 L HN 0.368 nan 8.230 nan 0.000 0.433 274 R N -0.569 120.046 120.500 0.192 0.000 2.241 274 R HA -0.112 4.233 4.340 0.009 0.000 0.224 274 R C 2.061 178.383 176.300 0.037 0.000 1.101 274 R CA 1.604 57.762 56.100 0.096 0.000 0.995 274 R CB -0.348 29.998 30.300 0.077 0.000 0.870 274 R HN 0.523 nan 8.270 nan 0.000 0.463 275 T N -1.922 112.658 114.554 0.043 0.000 3.065 275 T HA 0.127 4.482 4.350 0.009 0.000 0.252 275 T C 0.877 175.590 174.700 0.021 0.000 1.099 275 T CA -0.211 61.903 62.100 0.023 0.000 1.063 275 T CB 0.200 69.081 68.868 0.022 0.000 0.948 275 T HN -0.138 nan 8.240 nan 0.000 0.506 276 R N 2.771 123.291 120.500 0.034 0.000 2.438 276 R HA 0.389 4.734 4.340 0.009 0.000 0.287 276 R C -2.699 173.613 176.300 0.019 0.000 1.077 276 R CA -2.564 53.556 56.100 0.032 0.000 1.034 276 R CB -0.225 30.102 30.300 0.045 0.000 0.993 276 R HN 0.252 nan 8.270 nan 0.000 0.459 277 P HA -0.001 nan 4.420 nan 0.000 0.266 277 P C 0.255 177.529 177.300 -0.043 0.000 1.195 277 P CA 0.192 63.278 63.100 -0.022 0.000 0.768 277 P CB 0.603 32.303 31.700 0.001 0.000 0.838 278 A N 2.754 125.470 122.820 -0.175 0.000 1.908 278 A HA -0.280 4.045 4.320 0.009 0.000 0.218 278 A C 2.158 179.641 177.584 -0.169 0.000 1.181 278 A CA 1.906 53.794 52.037 -0.248 0.000 0.627 278 A CB -1.224 17.160 19.000 -1.027 0.000 0.818 278 A HN 0.549 nan 8.150 nan 0.000 0.445 279 Q N 0.104 119.793 119.800 -0.185 0.000 2.170 279 Q HA -0.176 4.169 4.340 0.009 0.000 0.203 279 Q C 1.216 177.315 176.000 0.166 0.000 0.976 279 Q CA 2.013 57.884 55.803 0.113 0.000 0.858 279 Q CB -0.358 28.480 28.738 0.166 0.000 0.907 279 Q HN 0.641 nan 8.270 nan 0.000 0.433 280 D N -0.563 119.917 120.400 0.134 0.000 2.144 280 D HA -0.125 4.521 4.640 0.009 0.000 0.199 280 D C 1.697 178.148 176.300 0.252 0.000 0.984 280 D CA 0.937 55.060 54.000 0.206 0.000 0.834 280 D CB -0.087 40.808 40.800 0.157 0.000 0.955 280 D HN 0.320 nan 8.370 nan 0.000 0.465 281 L N 0.048 121.363 121.223 0.155 0.000 2.056 281 L HA -0.107 4.238 4.340 0.009 0.000 0.207 281 L C 2.478 179.419 176.870 0.117 0.000 1.078 281 L CA 0.590 55.474 54.840 0.073 0.000 0.749 281 L CB -0.536 41.452 42.059 -0.119 0.000 0.901 281 L HN -0.046 nan 8.230 nan 0.000 0.433 282 V N 0.059 120.111 119.914 0.230 0.000 2.343 282 V HA -0.291 3.835 4.120 0.009 0.000 0.247 282 V C 2.060 178.312 176.094 0.264 0.000 1.051 282 V CA 1.922 64.415 62.300 0.322 0.000 1.036 282 V CB -0.560 31.562 31.823 0.499 0.000 0.654 282 V HN 0.423 nan 8.190 nan 0.000 0.451 283 D N -1.035 119.476 120.400 0.186 0.000 2.265 283 D HA -0.137 4.508 4.640 0.009 0.000 0.208 283 D C 1.776 177.875 176.300 -0.334 0.000 0.977 283 D CA 1.258 55.258 54.000 0.001 0.000 0.871 283 D CB -0.199 40.568 40.800 -0.055 0.000 0.925 283 D HN 0.578 nan 8.370 nan 0.000 0.485 284 H N -0.586 118.486 119.070 0.005 0.000 2.755 284 H HA 0.085 4.646 4.556 0.009 0.000 0.273 284 H C 1.620 176.856 175.328 -0.153 0.000 1.055 284 H CA 0.129 56.086 56.048 -0.151 0.000 1.191 284 H CB 0.653 30.462 29.762 0.078 0.000 1.536 284 H HN 0.399 nan 8.280 nan 0.000 0.529 285 E N 0.969 121.161 120.200 -0.013 0.000 2.153 285 E HA -0.187 4.168 4.350 0.009 0.000 0.194 285 E C 0.941 177.435 176.600 -0.178 0.000 0.988 285 E CA 0.976 57.371 56.400 -0.009 0.000 0.811 285 E CB -0.204 29.454 29.700 -0.070 0.000 0.746 285 E HN 0.363 nan 8.360 nan 0.000 0.466 286 W N 0.567 121.775 121.300 -0.153 0.000 2.800 286 W HA 0.091 4.756 4.660 0.008 0.000 0.249 286 W C 1.596 178.125 176.519 0.018 0.000 1.294 286 W CA 0.685 57.951 57.345 -0.132 0.000 1.402 286 W CB -0.059 29.270 29.460 -0.218 0.000 1.126 286 W HN 0.265 nan 8.180 nan 0.000 0.652 287 H N -0.560 118.643 119.070 0.221 0.000 2.556 287 H HA -0.029 4.532 4.556 0.009 0.000 0.268 287 H C 1.947 177.338 175.328 0.105 0.000 0.996 287 H CA 0.885 57.033 56.048 0.166 0.000 1.157 287 H CB 0.096 29.975 29.762 0.195 0.000 1.355 287 H HN 0.146 nan 8.280 nan 0.000 0.597 288 V N -1.633 118.376 119.914 0.159 0.000 3.647 288 V HA 0.159 4.284 4.120 0.009 0.000 0.279 288 V C 0.600 176.682 176.094 -0.019 0.000 1.314 288 V CA -0.119 62.213 62.300 0.054 0.000 1.125 288 V CB -0.412 31.410 31.823 -0.001 0.000 0.907 288 V HN 0.122 nan 8.190 nan 0.000 0.434 289 L N 2.472 123.696 121.223 0.002 0.000 2.485 289 L HA 0.219 4.564 4.340 0.009 0.000 0.275 289 L C -0.290 176.580 176.870 0.001 0.000 1.207 289 L CA -0.859 53.969 54.840 -0.020 0.000 0.855 289 L CB 0.693 42.769 42.059 0.027 0.000 1.114 289 L HN 0.161 nan 8.230 nan 0.000 0.485 290 P HA -0.061 nan 4.420 nan 0.000 0.225 290 P C -0.155 177.146 177.300 0.002 0.000 1.156 290 P CA 0.951 64.046 63.100 -0.009 0.000 0.787 290 P CB 0.566 32.253 31.700 -0.021 0.000 0.802 291 Q N -1.169 118.634 119.800 0.005 0.000 2.544 291 Q HA 0.336 4.682 4.340 0.009 0.000 0.291 291 Q C -0.690 175.320 176.000 0.018 0.000 1.068 291 Q CA -0.751 55.058 55.803 0.009 0.000 0.785 291 Q CB 1.500 30.239 28.738 0.003 0.000 1.481 291 Q HN -0.066 nan 8.270 nan 0.000 0.430 292 E N 0.914 121.124 120.200 0.017 0.000 2.324 292 E HA 0.367 4.723 4.350 0.009 0.000 0.271 292 E C -1.004 175.604 176.600 0.012 0.000 1.028 292 E CA 0.093 56.505 56.400 0.019 0.000 0.890 292 E CB 0.390 30.099 29.700 0.016 0.000 1.004 292 E HN 0.595 nan 8.360 nan 0.000 0.431 293 S N 3.839 119.547 115.700 0.012 0.000 2.643 293 S HA 0.645 5.120 4.470 0.009 0.000 0.270 293 S C -0.550 174.047 174.600 -0.004 0.000 1.166 293 S CA -1.005 57.195 58.200 0.000 0.000 0.815 293 S CB 0.703 63.897 63.200 -0.011 0.000 1.139 293 S HN 0.556 nan 8.310 nan 0.000 0.472 294 I N -3.206 117.359 120.570 -0.008 0.000 2.934 294 I HA 0.788 4.963 4.170 0.009 0.000 0.306 294 I C -0.350 175.741 176.117 -0.044 0.000 1.110 294 I CA -1.177 60.129 61.300 0.010 0.000 1.019 294 I CB 1.414 39.464 38.000 0.084 0.000 1.227 294 I HN 0.789 nan 8.210 nan 0.000 0.434 295 F N 1.691 121.440 119.950 -0.334 0.000 3.091 295 F HA -0.183 4.350 4.527 0.009 0.000 0.288 295 F C -0.344 174.864 175.800 -0.987 0.000 0.907 295 F CA 0.650 58.177 58.000 -0.788 0.000 1.028 295 F CB -0.606 37.844 39.000 -0.915 0.000 1.022 295 F HN 0.597 nan 8.300 nan 0.000 0.665 296 R N 0.447 120.444 120.500 -0.839 0.000 2.621 296 R HA 0.612 4.957 4.340 0.009 0.000 0.284 296 R C -1.078 174.739 176.300 -0.805 0.000 0.998 296 R CA -0.558 55.138 56.100 -0.673 0.000 0.895 296 R CB 1.347 31.518 30.300 -0.215 0.000 1.195 296 R HN -0.002 nan 8.270 nan 0.000 0.450 297 F N -0.480 119.551 119.950 0.136 0.000 2.540 297 F HA 0.347 4.879 4.527 0.008 0.000 0.317 297 F C 1.565 177.261 175.800 -0.173 0.000 1.104 297 F CA -0.794 57.198 58.000 -0.013 0.000 0.913 297 F CB 1.885 40.995 39.000 0.183 0.000 1.170 297 F HN 0.361 nan 8.300 nan 0.000 0.450 298 S N 1.072 116.612 115.700 -0.266 0.000 2.353 298 S HA -0.101 4.374 4.470 0.009 0.000 0.222 298 S C 0.109 174.253 174.600 -0.761 0.000 1.035 298 S CA 1.398 59.272 58.200 -0.542 0.000 1.025 298 S CB -0.255 62.557 63.200 -0.648 0.000 0.902 298 S HN 0.368 nan 8.310 nan 0.000 0.440 299 F N 1.312 121.253 119.950 -0.014 0.000 2.382 299 F HA 0.543 5.076 4.527 0.009 0.000 0.361 299 F C 0.010 175.816 175.800 0.010 0.000 1.109 299 F CA -0.900 57.130 58.000 0.050 0.000 1.031 299 F CB 1.264 40.322 39.000 0.097 0.000 1.234 299 F HN -0.082 nan 8.300 nan 0.000 0.445 300 V N 0.762 120.627 119.914 -0.082 0.000 3.167 300 V HA 0.755 4.880 4.120 0.009 0.000 0.310 300 V C -2.910 172.826 176.094 -0.596 0.000 1.207 300 V CA -3.376 58.534 62.300 -0.649 0.000 1.059 300 V CB 1.965 33.572 31.823 -0.359 0.000 1.079 300 V HN 0.247 nan 8.190 nan 0.000 0.446 301 P HA 0.127 nan 4.420 nan 0.000 0.263 301 P C -0.753 176.418 177.300 -0.214 0.000 1.175 301 P CA 0.579 63.416 63.100 -0.439 0.000 0.761 301 P CB 0.513 31.865 31.700 -0.581 0.000 0.794 302 V N 5.090 124.954 119.914 -0.082 0.000 2.581 302 V HA 0.242 4.367 4.120 0.009 0.000 0.303 302 V C -0.310 175.765 176.094 -0.031 0.000 1.041 302 V CA -0.856 61.415 62.300 -0.049 0.000 0.907 302 V CB 2.097 33.918 31.823 -0.002 0.000 0.994 302 V HN 0.124 nan 8.190 nan 0.000 0.442 303 V N 7.481 127.375 119.914 -0.033 0.000 2.341 303 V HA 0.150 4.276 4.120 0.009 0.000 0.248 303 V C 0.917 177.015 176.094 0.007 0.000 1.107 303 V CA 0.381 62.675 62.300 -0.010 0.000 1.069 303 V CB 0.034 31.842 31.823 -0.024 0.000 1.177 303 V HN 1.062 nan 8.190 nan 0.000 0.492 304 D N 2.686 123.105 120.400 0.031 0.000 2.348 304 D HA 0.094 4.740 4.640 0.009 0.000 0.211 304 D C 1.596 177.918 176.300 0.037 0.000 0.998 304 D CA 0.800 54.822 54.000 0.037 0.000 0.873 304 D CB 0.326 41.162 40.800 0.060 0.000 0.925 304 D HN 0.667 nan 8.370 nan 0.000 0.524 305 G N 0.557 109.379 108.800 0.037 0.000 2.184 305 G HA2 -0.334 3.632 3.960 0.009 0.000 0.264 305 G HA3 -0.334 3.632 3.960 0.009 0.000 0.264 305 G C 0.483 175.404 174.900 0.034 0.000 0.975 305 G CA 0.746 45.862 45.100 0.027 0.000 0.642 305 G HN 0.556 nan 8.290 nan 0.000 0.536 306 D N -1.451 118.984 120.400 0.059 0.000 3.040 306 D HA 0.260 4.906 4.640 0.009 0.000 0.221 306 D C 1.780 178.128 176.300 0.080 0.000 1.515 306 D CA 0.423 54.461 54.000 0.063 0.000 1.379 306 D CB -0.620 40.227 40.800 0.079 0.000 0.992 306 D HN 0.088 nan 8.370 nan 0.000 0.234 307 F N 1.135 121.091 119.950 0.011 0.000 2.091 307 F HA 0.128 4.660 4.527 0.008 0.000 0.299 307 F C 0.631 176.431 175.800 -0.001 0.000 1.103 307 F CA 1.228 59.235 58.000 0.011 0.000 1.228 307 F CB 0.123 39.127 39.000 0.007 0.000 0.984 307 F HN -0.001 nan 8.300 nan 0.000 0.477 308 L N 0.921 122.301 121.223 0.262 0.000 2.301 308 L HA 0.171 4.516 4.340 0.009 0.000 0.278 308 L C 1.449 178.360 176.870 0.068 0.000 1.022 308 L CA -0.152 54.779 54.840 0.151 0.000 0.854 308 L CB 1.269 43.406 42.059 0.130 0.000 1.226 308 L HN 0.119 nan 8.230 nan 0.000 0.429 309 S N 0.956 116.675 115.700 0.033 0.000 2.399 309 S HA -0.072 4.403 4.470 0.009 0.000 0.231 309 S C 0.554 175.162 174.600 0.013 0.000 1.022 309 S CA 0.780 58.989 58.200 0.015 0.000 0.983 309 S CB 0.197 63.396 63.200 -0.001 0.000 0.803 309 S HN 0.699 nan 8.310 nan 0.000 0.480 310 D N -0.059 120.350 120.400 0.015 0.000 2.752 310 D HA 0.329 4.975 4.640 0.009 0.000 0.313 310 D C -0.838 175.463 176.300 0.003 0.000 1.225 310 D CA 0.061 54.065 54.000 0.006 0.000 0.976 310 D CB 1.504 42.306 40.800 0.004 0.000 1.443 310 D HN 0.274 nan 8.370 nan 0.000 0.515 311 T N -1.055 113.493 114.554 -0.009 0.000 2.926 311 T HA 0.266 4.621 4.350 0.009 0.000 0.307 311 T C -1.852 172.836 174.700 -0.020 0.000 1.059 311 T CA -0.804 61.281 62.100 -0.025 0.000 1.122 311 T CB 1.146 69.993 68.868 -0.036 0.000 0.972 311 T HN 0.089 nan 8.240 nan 0.000 0.545 312 P HA -0.106 nan 4.420 nan 0.000 0.217 312 P C 1.684 178.967 177.300 -0.027 0.000 1.148 312 P CA 0.767 63.845 63.100 -0.036 0.000 0.828 312 P CB 0.109 31.758 31.700 -0.086 0.000 0.783 313 E N -0.434 119.741 120.200 -0.042 0.000 2.038 313 E HA -0.178 4.178 4.350 0.009 0.000 0.195 313 E C 2.087 178.687 176.600 0.000 0.000 1.000 313 E CA 1.698 58.080 56.400 -0.029 0.000 0.803 313 E CB -0.947 28.729 29.700 -0.039 0.000 0.750 313 E HN 0.116 nan 8.360 nan 0.000 0.448 314 A N 0.965 123.785 122.820 0.001 0.000 1.902 314 A HA -0.134 4.191 4.320 0.009 0.000 0.217 314 A C 2.437 180.042 177.584 0.035 0.000 1.181 314 A CA 1.183 53.227 52.037 0.012 0.000 0.623 314 A CB -0.699 18.302 19.000 0.003 0.000 0.818 314 A HN 0.213 nan 8.150 nan 0.000 0.443 315 L N -0.145 121.106 121.223 0.047 0.000 2.093 315 L HA -0.149 4.196 4.340 0.009 0.000 0.208 315 L C 2.546 179.530 176.870 0.190 0.000 1.085 315 L CA 1.553 56.448 54.840 0.093 0.000 0.755 315 L CB -0.637 41.477 42.059 0.091 0.000 0.904 315 L HN 0.677 nan 8.230 nan 0.000 0.435 316 I N -3.428 117.236 120.570 0.156 0.000 2.617 316 I HA -0.071 4.104 4.170 0.009 0.000 0.256 316 I C 1.945 178.196 176.117 0.223 0.000 1.167 316 I CA 1.017 62.448 61.300 0.218 0.000 1.469 316 I CB -0.388 37.632 38.000 0.034 0.000 1.098 316 I HN 0.126 nan 8.210 nan 0.000 0.436 317 N N 1.446 120.218 118.700 0.119 0.000 2.270 317 N HA -0.091 4.654 4.740 0.009 0.000 0.181 317 N C 1.738 177.293 175.510 0.074 0.000 1.016 317 N CA 2.024 55.126 53.050 0.086 0.000 0.870 317 N CB -0.268 38.246 38.487 0.045 0.000 0.979 317 N HN 0.655 nan 8.380 nan 0.000 0.431 318 T N -3.340 111.249 114.554 0.058 0.000 3.132 318 T HA 0.378 4.733 4.350 0.009 0.000 0.274 318 T C 0.766 175.425 174.700 -0.069 0.000 1.011 318 T CA -0.581 61.519 62.100 0.001 0.000 0.899 318 T CB 0.097 68.960 68.868 -0.008 0.000 1.089 318 T HN 0.032 nan 8.240 nan 0.000 0.543 319 G N 0.576 109.324 108.800 -0.087 0.000 2.504 319 G HA2 0.477 4.443 3.960 0.009 0.000 0.288 319 G HA3 0.477 4.443 3.960 0.009 0.000 0.288 319 G C -1.316 173.083 174.900 -0.835 0.000 1.182 319 G CA -0.564 44.246 45.100 -0.484 0.000 0.894 319 G HN 0.345 nan 8.290 nan 0.000 0.521 320 D N -0.372 119.483 120.400 -0.908 0.000 2.381 320 D HA 0.430 5.075 4.640 0.009 0.000 0.235 320 D C -0.540 175.286 176.300 -0.791 0.000 1.068 320 D CA -0.636 52.989 54.000 -0.625 0.000 0.832 320 D CB 0.668 41.284 40.800 -0.307 0.000 1.101 320 D HN 0.085 nan 8.370 nan 0.000 0.515 321 F N 1.734 121.689 119.950 0.008 0.000 2.850 321 F HA 0.291 4.823 4.527 0.008 0.000 0.306 321 F C 0.812 176.621 175.800 0.015 0.000 1.162 321 F CA -0.616 57.393 58.000 0.014 0.000 1.327 321 F CB -0.202 38.815 39.000 0.028 0.000 0.953 321 F HN 0.220 nan 8.300 nan 0.000 0.507 322 Q N 0.463 120.306 119.800 0.070 0.000 2.394 322 Q HA 0.087 4.432 4.340 0.009 0.000 0.248 322 Q C 0.377 176.411 176.000 0.058 0.000 0.992 322 Q CA 0.370 56.207 55.803 0.057 0.000 0.888 322 Q CB 0.400 29.145 28.738 0.012 0.000 1.257 322 Q HN 0.266 nan 8.270 nan 0.000 0.462 323 D N -0.180 120.252 120.400 0.054 0.000 3.076 323 D HA -0.195 4.451 4.640 0.009 0.000 0.218 323 D C -0.967 175.370 176.300 0.061 0.000 1.156 323 D CA 0.683 54.709 54.000 0.043 0.000 0.921 323 D CB -0.748 40.062 40.800 0.018 0.000 1.113 323 D HN 0.214 nan 8.370 nan 0.000 0.418 324 L N 0.942 122.226 121.223 0.103 0.000 2.341 324 L HA 0.428 4.774 4.340 0.009 0.000 0.278 324 L C -0.647 176.311 176.870 0.147 0.000 1.005 324 L CA -0.251 54.667 54.840 0.129 0.000 0.818 324 L CB 1.784 43.956 42.059 0.188 0.000 1.259 324 L HN -0.148 nan 8.230 nan 0.000 0.418 325 Q N 3.735 123.640 119.800 0.174 0.000 2.333 325 Q HA 0.783 5.128 4.340 0.009 0.000 0.267 325 Q C -1.375 174.890 176.000 0.442 0.000 1.012 325 Q CA -0.539 55.427 55.803 0.271 0.000 0.824 325 Q CB 2.716 31.576 28.738 0.204 0.000 1.290 325 Q HN 0.502 nan 8.270 nan 0.000 0.449 326 V N 2.748 122.884 119.914 0.369 0.000 2.709 326 V HA 0.466 4.591 4.120 0.009 0.000 0.308 326 V C -1.087 174.950 176.094 -0.095 0.000 1.062 326 V CA -0.827 61.593 62.300 0.199 0.000 0.901 326 V CB 2.189 34.051 31.823 0.066 0.000 1.003 326 V HN 0.682 nan 8.190 nan 0.000 0.425 327 L N 5.862 126.820 121.223 -0.442 0.000 2.313 327 L HA 0.874 5.219 4.340 0.009 0.000 0.283 327 L C -0.917 175.821 176.870 -0.221 0.000 1.013 327 L CA -0.541 53.940 54.840 -0.598 0.000 0.816 327 L CB 1.704 42.955 42.059 -1.346 0.000 1.236 327 L HN 0.678 nan 8.230 nan 0.000 0.419 328 V N 1.406 121.255 119.914 -0.108 0.000 2.925 328 V HA 1.076 5.201 4.120 0.009 0.000 0.311 328 V C -0.447 175.405 176.094 -0.404 0.000 1.104 328 V CA -0.048 62.170 62.300 -0.136 0.000 0.954 328 V CB 1.550 33.273 31.823 -0.166 0.000 1.022 328 V HN 0.896 nan 8.190 nan 0.000 0.427 329 G N 1.055 109.495 108.800 -0.600 0.000 2.495 329 G HA2 0.806 4.771 3.960 0.009 0.000 0.294 329 G HA3 0.806 4.771 3.960 0.009 0.000 0.294 329 G C -1.202 173.425 174.900 -0.456 0.000 1.397 329 G CA 0.022 44.384 45.100 -1.229 0.000 0.790 329 G HN 2.086 nan 8.290 nan 0.000 0.486 330 V N -2.264 117.519 119.914 -0.218 0.000 3.130 330 V HA 0.919 5.044 4.120 0.009 0.000 0.310 330 V C 0.351 176.641 176.094 0.327 0.000 1.158 330 V CA -0.481 61.886 62.300 0.112 0.000 1.029 330 V CB 1.121 32.982 31.823 0.064 0.000 1.057 330 V HN 1.719 nan 8.190 nan 0.000 0.436 331 V N -0.301 119.823 119.914 0.350 0.000 3.234 331 V HA 0.562 4.687 4.120 0.009 0.000 0.317 331 V C 1.430 177.724 176.094 0.334 0.000 1.081 331 V CA 0.028 62.587 62.300 0.431 0.000 1.037 331 V CB 1.113 33.180 31.823 0.408 0.000 1.148 331 V HN 1.070 nan 8.190 nan 0.000 0.453 332 K N -0.081 120.513 120.400 0.323 0.000 2.097 332 K HA -0.074 4.251 4.320 0.009 0.000 0.206 332 K C 0.057 176.787 176.600 0.215 0.000 1.049 332 K CA 2.000 58.430 56.287 0.239 0.000 0.933 332 K CB -0.043 32.575 32.500 0.198 0.000 0.717 332 K HN 0.955 nan 8.250 nan 0.000 0.442 333 D N 0.740 121.274 120.400 0.224 0.000 2.607 333 D HA 0.060 4.705 4.640 0.009 0.000 0.318 333 D C 0.084 176.525 176.300 0.235 0.000 1.212 333 D CA -0.196 53.925 54.000 0.203 0.000 0.861 333 D CB 1.328 42.222 40.800 0.157 0.000 1.064 333 D HN 0.037 nan 8.370 nan 0.000 0.500 334 E N 0.616 120.971 120.200 0.258 0.000 2.118 334 E HA -0.144 4.211 4.350 0.009 0.000 0.195 334 E C 2.116 178.917 176.600 0.336 0.000 0.992 334 E CA 1.000 57.590 56.400 0.317 0.000 0.804 334 E CB -0.027 29.831 29.700 0.263 0.000 0.741 334 E HN 0.534 nan 8.360 nan 0.000 0.458 335 G N 1.000 109.959 108.800 0.266 0.000 2.551 335 G HA2 -0.173 3.792 3.960 0.009 0.000 0.216 335 G HA3 -0.173 3.792 3.960 0.009 0.000 0.216 335 G C 1.712 176.790 174.900 0.297 0.000 1.137 335 G CA 0.852 46.133 45.100 0.301 0.000 0.798 335 G HN 0.371 nan 8.290 nan 0.000 0.536 336 S N 0.246 116.070 115.700 0.205 0.000 2.374 336 S HA -0.305 4.170 4.470 0.009 0.000 0.227 336 S C 2.131 176.722 174.600 -0.015 0.000 1.037 336 S CA 1.521 59.790 58.200 0.116 0.000 1.024 336 S CB -0.820 62.352 63.200 -0.046 0.000 0.861 336 S HN 0.414 nan 8.310 nan 0.000 0.456 337 Y N 1.740 121.898 120.300 -0.238 0.000 2.193 337 Y HA -0.130 4.426 4.550 0.009 0.000 0.285 337 Y C 1.750 177.414 175.900 -0.392 0.000 1.166 337 Y CA 1.762 59.559 58.100 -0.505 0.000 1.181 337 Y CB -0.543 37.517 38.460 -0.668 0.000 0.976 337 Y HN 0.313 nan 8.280 nan 0.000 0.520 338 F N -0.981 119.001 119.950 0.054 0.000 2.558 338 F HA -0.074 4.458 4.527 0.008 0.000 0.298 338 F C 1.857 177.657 175.800 -0.000 0.000 1.119 338 F CA 0.577 58.591 58.000 0.022 0.000 1.451 338 F CB -0.367 38.608 39.000 -0.041 0.000 1.091 338 F HN 0.007 nan 8.300 nan 0.000 0.563 339 L N -0.875 120.382 121.223 0.058 0.000 2.109 339 L HA -0.117 4.228 4.340 0.009 0.000 0.207 339 L C 2.119 178.993 176.870 0.007 0.000 1.086 339 L CA 0.596 55.344 54.840 -0.153 0.000 0.760 339 L CB -0.748 40.955 42.059 -0.595 0.000 0.910 339 L HN -0.034 nan 8.230 nan 0.000 0.437 340 V N -1.727 118.253 119.914 0.110 0.000 3.141 340 V HA -0.224 3.901 4.120 0.009 0.000 0.265 340 V C 1.326 177.390 176.094 -0.050 0.000 1.126 340 V CA 1.114 63.493 62.300 0.130 0.000 1.141 340 V CB -0.860 31.061 31.823 0.164 0.000 0.743 340 V HN 0.362 nan 8.190 nan 0.000 0.492 341 Y N 0.692 120.966 120.300 -0.044 0.000 2.537 341 Y HA 0.484 5.039 4.550 0.008 0.000 0.303 341 Y C 1.614 177.476 175.900 -0.064 0.000 1.176 341 Y CA 0.537 58.587 58.100 -0.083 0.000 1.273 341 Y CB 0.494 38.880 38.460 -0.124 0.000 1.110 341 Y HN 0.276 nan 8.280 nan 0.000 0.518 342 G N -1.275 107.573 108.800 0.081 0.000 4.362 342 G HA2 -0.033 3.933 3.960 0.009 0.000 0.220 342 G HA3 -0.033 3.933 3.960 0.009 0.000 0.220 342 G C -0.920 174.016 174.900 0.060 0.000 0.795 342 G CA -0.453 44.680 45.100 0.056 0.000 0.920 342 G HN -0.036 nan 8.290 nan 0.000 0.715 343 V N 2.320 122.286 119.914 0.086 0.000 2.347 343 V HA 0.457 4.582 4.120 0.009 0.000 0.280 343 V C -2.118 174.130 176.094 0.256 0.000 1.021 343 V CA -1.831 60.550 62.300 0.136 0.000 0.847 343 V CB 1.681 33.530 31.823 0.042 0.000 0.990 343 V HN 0.042 nan 8.190 nan 0.000 0.444 344 P HA 0.301 nan 4.420 nan 0.000 0.265 344 P C 0.987 178.367 177.300 0.133 0.000 1.193 344 P CA 1.197 64.371 63.100 0.122 0.000 0.765 344 P CB 0.766 32.506 31.700 0.067 0.000 0.823 345 G N 1.387 110.205 108.800 0.031 0.000 2.278 345 G HA2 -0.197 3.768 3.960 0.009 0.000 0.210 345 G HA3 -0.197 3.768 3.960 0.009 0.000 0.210 345 G C -0.171 174.515 174.900 -0.357 0.000 1.000 345 G CA -0.607 44.387 45.100 -0.177 0.000 0.635 345 G HN 0.390 nan 8.290 nan 0.000 0.495 346 F N 1.655 121.572 119.950 -0.055 0.000 2.399 346 F HA 0.812 5.344 4.527 0.008 0.000 0.334 346 F C 0.689 176.519 175.800 0.050 0.000 1.097 346 F CA -0.029 57.937 58.000 -0.057 0.000 1.076 346 F CB 2.155 41.163 39.000 0.013 0.000 1.162 346 F HN 0.164 nan 8.300 nan 0.000 0.495 347 S N 0.922 116.786 115.700 0.273 0.000 2.547 347 S HA 0.275 4.750 4.470 0.009 0.000 0.270 347 S C 0.118 174.975 174.600 0.428 0.000 1.150 347 S CA -0.891 57.488 58.200 0.298 0.000 0.850 347 S CB 1.327 64.613 63.200 0.144 0.000 1.118 347 S HN 0.754 nan 8.310 nan 0.000 0.461 348 K N 1.045 121.614 120.400 0.281 0.000 2.418 348 K HA 0.176 4.501 4.320 0.009 0.000 0.195 348 K C 0.009 176.629 176.600 0.033 0.000 1.035 348 K CA 0.829 57.215 56.287 0.165 0.000 1.003 348 K CB -0.032 32.336 32.500 -0.221 0.000 0.793 348 K HN 0.411 nan 8.250 nan 0.000 0.494 349 D N 1.001 121.408 120.400 0.011 0.000 2.350 349 D HA 0.001 4.646 4.640 0.009 0.000 0.213 349 D C -0.207 176.109 176.300 0.028 0.000 1.031 349 D CA 0.338 54.319 54.000 -0.033 0.000 0.861 349 D CB 0.138 40.895 40.800 -0.071 0.000 0.926 349 D HN 0.481 nan 8.370 nan 0.000 0.520 350 N N -0.879 117.868 118.700 0.077 0.000 2.831 350 N HA 0.101 4.846 4.740 0.009 0.000 0.276 350 N C 0.362 175.892 175.510 0.033 0.000 1.416 350 N CA -0.546 52.520 53.050 0.027 0.000 0.799 350 N CB 0.889 39.352 38.487 -0.040 0.000 1.554 350 N HN -0.423 nan 8.380 nan 0.000 0.541 351 E N -0.372 119.792 120.200 -0.058 0.000 2.516 351 E HA 0.004 4.359 4.350 0.009 0.000 0.199 351 E C -0.393 175.870 176.600 -0.560 0.000 1.069 351 E CA 0.255 56.567 56.400 -0.147 0.000 0.876 351 E CB -0.602 29.059 29.700 -0.066 0.000 0.843 351 E HN 0.597 nan 8.360 nan 0.000 0.530 352 S N 0.129 115.488 115.700 -0.568 0.000 3.614 352 S HA -0.200 4.275 4.470 0.009 0.000 0.360 352 S C 0.339 174.487 174.600 -0.753 0.000 1.023 352 S CA 0.181 57.896 58.200 -0.809 0.000 1.114 352 S CB -1.747 60.653 63.200 -1.333 0.000 0.907 352 S HN 0.307 nan 8.310 nan 0.000 0.470 353 L N 1.694 122.641 121.223 -0.460 0.000 2.456 353 L HA 0.362 4.707 4.340 0.009 0.000 0.277 353 L C 0.730 177.392 176.870 -0.345 0.000 1.124 353 L CA -0.028 54.608 54.840 -0.340 0.000 0.880 353 L CB -0.002 41.929 42.059 -0.213 0.000 1.192 353 L HN 0.439 nan 8.230 nan 0.000 0.463 354 I N 0.302 120.657 120.570 -0.358 0.000 2.822 354 I HA 0.646 4.822 4.170 0.009 0.000 0.312 354 I C 0.540 176.570 176.117 -0.144 0.000 1.011 354 I CA -0.616 60.514 61.300 -0.284 0.000 1.105 354 I CB 1.855 39.644 38.000 -0.351 0.000 1.291 354 I HN 0.519 nan 8.210 nan 0.000 0.474 355 S N 2.113 117.763 115.700 -0.084 0.000 2.669 355 S HA 0.389 4.864 4.470 0.009 0.000 0.270 355 S C 0.905 175.520 174.600 0.026 0.000 1.225 355 S CA -0.557 57.623 58.200 -0.033 0.000 0.991 355 S CB 1.561 64.749 63.200 -0.020 0.000 0.987 355 S HN 0.868 nan 8.310 nan 0.000 0.552 356 R N 0.385 120.906 120.500 0.035 0.000 2.096 356 R HA -0.063 4.282 4.340 0.009 0.000 0.235 356 R C 2.304 178.700 176.300 0.159 0.000 1.127 356 R CA 1.428 57.587 56.100 0.099 0.000 0.968 356 R CB -1.054 29.282 30.300 0.061 0.000 0.861 356 R HN 0.838 nan 8.270 nan 0.000 0.440 357 A N 0.668 123.543 122.820 0.092 0.000 1.883 357 A HA -0.232 4.094 4.320 0.009 0.000 0.217 357 A C 2.038 179.674 177.584 0.087 0.000 1.186 357 A CA 1.583 53.666 52.037 0.078 0.000 0.624 357 A CB -0.520 18.507 19.000 0.045 0.000 0.822 357 A HN 0.500 nan 8.150 nan 0.000 0.444 358 Q N -1.917 117.935 119.800 0.087 0.000 2.167 358 Q HA -0.121 4.225 4.340 0.009 0.000 0.202 358 Q C 1.875 177.981 176.000 0.177 0.000 0.970 358 Q CA 1.471 57.332 55.803 0.097 0.000 0.855 358 Q CB -0.275 28.491 28.738 0.046 0.000 0.911 358 Q HN 0.806 nan 8.270 nan 0.000 0.438 359 F N 1.011 120.986 119.950 0.043 0.000 2.102 359 F HA -0.202 4.330 4.527 0.008 0.000 0.298 359 F C 1.739 177.572 175.800 0.056 0.000 1.105 359 F CA 1.064 59.101 58.000 0.062 0.000 1.239 359 F CB 0.053 39.071 39.000 0.029 0.000 0.991 359 F HN -0.038 nan 8.300 nan 0.000 0.474 360 L N 0.212 121.422 121.223 -0.021 0.000 2.046 360 L HA -0.216 4.129 4.340 0.009 0.000 0.208 360 L C 2.856 179.656 176.870 -0.116 0.000 1.077 360 L CA 1.204 55.963 54.840 -0.136 0.000 0.747 360 L CB -1.422 40.643 42.059 0.009 0.000 0.896 360 L HN 0.290 nan 8.230 nan 0.000 0.432 361 A N 0.515 123.314 122.820 -0.034 0.000 1.898 361 A HA -0.094 4.231 4.320 0.009 0.000 0.216 361 A C 2.425 179.990 177.584 -0.033 0.000 1.181 361 A CA 1.614 53.641 52.037 -0.016 0.000 0.620 361 A CB -1.167 17.846 19.000 0.021 0.000 0.819 361 A HN 0.434 nan 8.150 nan 0.000 0.442 362 G N -0.475 108.309 108.800 -0.026 0.000 2.442 362 G HA2 -0.137 3.828 3.960 0.009 0.000 0.219 362 G HA3 -0.137 3.828 3.960 0.009 0.000 0.219 362 G C 1.495 176.326 174.900 -0.116 0.000 1.141 362 G CA 1.249 46.335 45.100 -0.024 0.000 0.763 362 G HN 0.317 nan 8.290 nan 0.000 0.554 363 V N 0.978 120.746 119.914 -0.242 0.000 2.343 363 V HA -0.154 3.972 4.120 0.009 0.000 0.247 363 V C 2.997 179.019 176.094 -0.120 0.000 1.051 363 V CA 1.745 63.901 62.300 -0.241 0.000 1.036 363 V CB -0.391 31.209 31.823 -0.372 0.000 0.654 363 V HN 0.227 nan 8.190 nan 0.000 0.451 364 R N -0.128 120.317 120.500 -0.091 0.000 2.096 364 R HA -0.000 4.345 4.340 0.009 0.000 0.235 364 R C 2.044 178.324 176.300 -0.034 0.000 1.127 364 R CA 1.409 57.480 56.100 -0.048 0.000 0.968 364 R CB -0.851 29.430 30.300 -0.031 0.000 0.861 364 R HN 0.487 nan 8.270 nan 0.000 0.440 365 I N -0.489 120.061 120.570 -0.033 0.000 2.406 365 I HA -0.070 4.106 4.170 0.009 0.000 0.249 365 I C 2.228 178.334 176.117 -0.018 0.000 1.122 365 I CA 1.366 62.656 61.300 -0.017 0.000 1.431 365 I CB -0.416 37.581 38.000 -0.005 0.000 1.087 365 I HN 0.184 nan 8.210 nan 0.000 0.424 366 G N 0.188 108.966 108.800 -0.036 0.000 2.551 366 G HA2 0.018 3.983 3.960 0.009 0.000 0.216 366 G HA3 0.018 3.983 3.960 0.009 0.000 0.216 366 G C 0.793 175.679 174.900 -0.024 0.000 1.137 366 G CA 0.317 45.400 45.100 -0.029 0.000 0.798 366 G HN 0.236 nan 8.290 nan 0.000 0.536 367 V N 2.094 121.975 119.914 -0.055 0.000 2.405 367 V HA 0.208 4.334 4.120 0.009 0.000 0.253 367 V C -1.327 174.748 176.094 -0.032 0.000 0.963 367 V CA -1.045 61.192 62.300 -0.105 0.000 1.003 367 V CB 1.496 33.239 31.823 -0.135 0.000 1.251 367 V HN 0.071 nan 8.190 nan 0.000 0.520 368 P HA -0.172 nan 4.420 nan 0.000 0.219 368 P C 0.969 178.273 177.300 0.006 0.000 1.146 368 P CA 1.196 64.298 63.100 0.004 0.000 0.808 368 P CB 0.570 32.274 31.700 0.006 0.000 0.779 369 Q N -0.591 119.221 119.800 0.020 0.000 2.403 369 Q HA 0.291 4.637 4.340 0.009 0.000 0.203 369 Q C 0.792 176.794 176.000 0.003 0.000 0.932 369 Q CA -0.075 55.737 55.803 0.014 0.000 0.945 369 Q CB -0.365 28.391 28.738 0.031 0.000 1.045 369 Q HN 0.205 nan 8.270 nan 0.000 0.511 370 A N 0.668 123.486 122.820 -0.004 0.000 2.401 370 A HA 0.464 4.789 4.320 0.009 0.000 0.259 370 A C 0.434 178.013 177.584 -0.008 0.000 1.103 370 A CA -0.330 51.701 52.037 -0.009 0.000 0.789 370 A CB 0.259 19.254 19.000 -0.008 0.000 1.035 370 A HN 0.340 nan 8.150 nan 0.000 0.491 371 S N 1.689 117.383 115.700 -0.011 0.000 2.634 371 S HA 0.159 4.635 4.470 0.009 0.000 0.261 371 S C 0.391 174.994 174.600 0.005 0.000 1.271 371 S CA 0.000 58.197 58.200 -0.006 0.000 0.985 371 S CB 0.436 63.629 63.200 -0.012 0.000 0.968 371 S HN 0.627 nan 8.310 nan 0.000 0.568 372 D N 0.056 120.461 120.400 0.009 0.000 2.117 372 D HA -0.083 4.563 4.640 0.009 0.000 0.197 372 D C 1.783 178.103 176.300 0.033 0.000 0.987 372 D CA 0.917 54.928 54.000 0.019 0.000 0.829 372 D CB -0.488 40.324 40.800 0.019 0.000 0.961 372 D HN 0.409 nan 8.370 nan 0.000 0.460 373 L N 0.943 122.186 121.223 0.033 0.000 2.017 373 L HA -0.083 4.262 4.340 0.009 0.000 0.208 373 L C 2.138 179.052 176.870 0.074 0.000 1.073 373 L CA 1.816 56.688 54.840 0.053 0.000 0.745 373 L CB -0.764 41.321 42.059 0.044 0.000 0.894 373 L HN -0.022 nan 8.230 nan 0.000 0.432 374 A N -0.743 122.102 122.820 0.042 0.000 1.930 374 A HA -0.055 4.270 4.320 0.009 0.000 0.217 374 A C 2.423 180.055 177.584 0.081 0.000 1.175 374 A CA 1.594 53.658 52.037 0.046 0.000 0.627 374 A CB -1.050 17.935 19.000 -0.026 0.000 0.815 374 A HN 0.558 nan 8.150 nan 0.000 0.443 375 A N -0.499 122.353 122.820 0.053 0.000 1.930 375 A HA -0.119 4.207 4.320 0.009 0.000 0.217 375 A C 1.985 179.614 177.584 0.076 0.000 1.175 375 A CA 2.036 54.100 52.037 0.045 0.000 0.627 375 A CB -0.387 18.620 19.000 0.012 0.000 0.815 375 A HN 0.440 nan 8.150 nan 0.000 0.443 376 E N 0.223 120.479 120.200 0.094 0.000 2.106 376 E HA 0.003 4.358 4.350 0.009 0.000 0.192 376 E C 2.078 178.780 176.600 0.170 0.000 0.984 376 E CA 1.271 57.745 56.400 0.124 0.000 0.806 376 E CB -0.508 29.257 29.700 0.109 0.000 0.750 376 E HN 0.458 nan 8.360 nan 0.000 0.458 377 A N 0.022 122.960 122.820 0.196 0.000 1.908 377 A HA -0.161 4.164 4.320 0.009 0.000 0.218 377 A C 2.498 180.214 177.584 0.220 0.000 1.181 377 A CA 1.711 53.907 52.037 0.266 0.000 0.627 377 A CB -0.770 18.494 19.000 0.440 0.000 0.818 377 A HN 0.183 nan 8.150 nan 0.000 0.445 378 V N -0.564 119.497 119.914 0.244 0.000 2.295 378 V HA -0.228 3.897 4.120 0.009 0.000 0.246 378 V C 2.572 178.839 176.094 0.289 0.000 1.049 378 V CA 1.972 64.398 62.300 0.211 0.000 1.024 378 V CB -0.783 31.145 31.823 0.175 0.000 0.648 378 V HN 0.368 nan 8.190 nan 0.000 0.447 379 V N -0.097 119.950 119.914 0.222 0.000 2.332 379 V HA -0.267 3.858 4.120 0.009 0.000 0.248 379 V C 2.284 178.613 176.094 0.391 0.000 1.055 379 V CA 2.054 64.545 62.300 0.318 0.000 1.038 379 V CB -0.508 31.441 31.823 0.210 0.000 0.651 379 V HN 0.457 nan 8.190 nan 0.000 0.450 380 L N -0.863 120.571 121.223 0.352 0.000 2.093 380 L HA -0.182 4.163 4.340 0.009 0.000 0.208 380 L C 2.518 179.603 176.870 0.359 0.000 1.085 380 L CA 1.864 56.985 54.840 0.469 0.000 0.755 380 L CB -0.755 41.496 42.059 0.321 0.000 0.904 380 L HN 0.435 nan 8.230 nan 0.000 0.435 381 H N -0.936 118.153 119.070 0.033 0.000 2.395 381 H HA -0.144 4.417 4.556 0.007 0.000 0.299 381 H C 1.752 176.967 175.328 -0.189 0.000 1.070 381 H CA 1.706 57.618 56.048 -0.228 0.000 1.356 381 H CB 0.115 29.399 29.762 -0.797 0.000 1.401 381 H HN 0.225 nan 8.280 nan 0.000 0.524 382 Y N -0.274 120.082 120.300 0.094 0.000 2.500 382 Y HA 0.133 4.689 4.550 0.010 0.000 0.270 382 Y C 0.810 176.756 175.900 0.076 0.000 1.134 382 Y CA 0.347 58.533 58.100 0.143 0.000 1.293 382 Y CB 0.257 38.924 38.460 0.345 0.000 1.063 382 Y HN 0.015 nan 8.280 nan 0.000 0.534 383 T N 1.498 116.086 114.554 0.057 0.000 2.916 383 T HA -0.047 4.308 4.350 0.009 0.000 0.303 383 T C -0.238 174.157 174.700 -0.508 0.000 1.025 383 T CA -0.241 61.651 62.100 -0.347 0.000 1.142 383 T CB 0.284 68.603 68.868 -0.916 0.000 0.947 383 T HN 0.072 nan 8.240 nan 0.000 0.544 384 D N 2.195 122.292 120.400 -0.506 0.000 2.393 384 D HA 0.080 4.726 4.640 0.009 0.000 0.232 384 D C 0.111 176.114 176.300 -0.494 0.000 1.192 384 D CA -0.774 52.874 54.000 -0.586 0.000 0.882 384 D CB 0.290 40.474 40.800 -1.028 0.000 1.038 384 D HN 0.600 nan 8.370 nan 0.000 0.499 385 W N 3.213 124.446 121.300 -0.112 0.000 2.721 385 W HA 0.035 4.699 4.660 0.007 0.000 0.245 385 W C 1.921 178.365 176.519 -0.125 0.000 1.276 385 W CA -0.222 57.069 57.345 -0.091 0.000 1.342 385 W CB 0.002 29.416 29.460 -0.077 0.000 1.135 385 W HN 0.428 nan 8.180 nan 0.000 0.654 386 L N -1.160 120.038 121.223 -0.041 0.000 2.162 386 L HA -0.048 4.297 4.340 0.009 0.000 0.205 386 L C 0.182 176.739 176.870 -0.522 0.000 1.086 386 L CA 1.062 55.756 54.840 -0.244 0.000 0.778 386 L CB -0.185 41.728 42.059 -0.244 0.000 0.928 386 L HN 0.007 nan 8.230 nan 0.000 0.446 387 H N -1.498 117.490 119.070 -0.137 0.000 2.379 387 H HA 0.157 4.718 4.556 0.008 0.000 0.229 387 H C -1.831 173.387 175.328 -0.183 0.000 1.423 387 H CA -1.519 54.450 56.048 -0.131 0.000 1.375 387 H CB 0.133 29.820 29.762 -0.125 0.000 1.592 387 H HN -0.025 nan 8.280 nan 0.000 0.507 388 P HA -0.160 nan 4.420 nan 0.000 0.223 388 P C 0.493 177.709 177.300 -0.140 0.000 1.144 388 P CA 1.205 64.162 63.100 -0.239 0.000 0.783 388 P CB 0.720 32.279 31.700 -0.235 0.000 0.771 389 E N -0.443 119.722 120.200 -0.057 0.000 2.526 389 E HA 0.061 4.417 4.350 0.009 0.000 0.208 389 E C -0.053 176.529 176.600 -0.031 0.000 0.997 389 E CA -0.131 56.246 56.400 -0.040 0.000 0.961 389 E CB -0.204 29.488 29.700 -0.014 0.000 1.030 389 E HN 0.282 nan 8.360 nan 0.000 0.483 390 D N 2.974 123.368 120.400 -0.009 0.000 2.412 390 D HA -0.016 4.629 4.640 0.009 0.000 0.257 390 D C -1.169 175.103 176.300 -0.046 0.000 1.217 390 D CA -1.329 52.666 54.000 -0.010 0.000 0.897 390 D CB 1.254 42.058 40.800 0.006 0.000 1.132 390 D HN -0.121 nan 8.370 nan 0.000 0.493 391 P HA -0.151 nan 4.420 nan 0.000 0.218 391 P C 1.107 178.333 177.300 -0.124 0.000 1.149 391 P CA 1.023 64.058 63.100 -0.110 0.000 0.817 391 P CB 0.190 31.820 31.700 -0.116 0.000 0.785 392 T N -1.026 113.477 114.554 -0.084 0.000 2.777 392 T HA -0.166 4.190 4.350 0.009 0.000 0.266 392 T C 1.841 176.510 174.700 -0.051 0.000 1.040 392 T CA 1.668 63.729 62.100 -0.065 0.000 1.141 392 T CB -1.011 67.837 68.868 -0.033 0.000 0.868 392 T HN 0.288 nan 8.240 nan 0.000 0.444 393 H N 0.981 119.986 119.070 -0.108 0.000 2.389 393 H HA 0.121 4.682 4.556 0.008 0.000 0.299 393 H C 1.977 177.212 175.328 -0.156 0.000 1.081 393 H CA 1.199 57.179 56.048 -0.113 0.000 1.345 393 H CB -0.539 29.137 29.762 -0.144 0.000 1.393 393 H HN 0.247 nan 8.280 nan 0.000 0.520 394 L N 0.041 121.038 121.223 -0.377 0.000 2.046 394 L HA -0.158 4.187 4.340 0.009 0.000 0.208 394 L C 2.916 179.639 176.870 -0.246 0.000 1.077 394 L CA 1.503 56.035 54.840 -0.513 0.000 0.747 394 L CB -0.480 41.371 42.059 -0.347 0.000 0.896 394 L HN 0.289 nan 8.230 nan 0.000 0.432 395 R N 0.588 121.012 120.500 -0.127 0.000 2.070 395 R HA -0.186 4.160 4.340 0.009 0.000 0.233 395 R C 1.711 178.099 176.300 0.147 0.000 1.137 395 R CA 2.201 58.326 56.100 0.042 0.000 0.945 395 R CB -0.467 29.737 30.300 -0.159 0.000 0.845 395 R HN 0.325 nan 8.270 nan 0.000 0.430 396 D N 0.526 120.947 120.400 0.035 0.000 2.144 396 D HA -0.108 4.537 4.640 0.009 0.000 0.199 396 D C 1.730 178.061 176.300 0.051 0.000 0.984 396 D CA 1.525 55.579 54.000 0.090 0.000 0.834 396 D CB -0.248 40.590 40.800 0.064 0.000 0.955 396 D HN 0.405 nan 8.370 nan 0.000 0.465 397 A N 0.484 123.215 122.820 -0.147 0.000 1.969 397 A HA -0.118 4.207 4.320 0.009 0.000 0.218 397 A C 2.104 179.801 177.584 0.189 0.000 1.169 397 A CA 1.257 53.280 52.037 -0.023 0.000 0.635 397 A CB -0.391 18.400 19.000 -0.347 0.000 0.810 397 A HN 0.139 nan 8.150 nan 0.000 0.445 398 M N -0.135 119.622 119.600 0.260 0.000 2.132 398 M HA -0.072 4.413 4.480 0.009 0.000 0.263 398 M C 2.277 178.642 176.300 0.109 0.000 1.065 398 M CA 2.132 57.614 55.300 0.303 0.000 1.122 398 M CB -0.626 32.211 32.600 0.396 0.000 1.365 398 M HN 0.373 nan 8.290 nan 0.000 0.411 399 S N -0.218 115.570 115.700 0.146 0.000 2.359 399 S HA -0.118 4.357 4.470 0.009 0.000 0.224 399 S C 2.067 176.748 174.600 0.135 0.000 1.035 399 S CA 1.680 59.972 58.200 0.153 0.000 1.018 399 S CB -0.664 62.691 63.200 0.259 0.000 0.876 399 S HN 0.638 nan 8.310 nan 0.000 0.448 400 A N 0.760 123.679 122.820 0.165 0.000 1.933 400 A HA 0.004 4.329 4.320 0.009 0.000 0.218 400 A C 2.361 180.010 177.584 0.108 0.000 1.175 400 A CA 1.734 53.901 52.037 0.217 0.000 0.628 400 A CB -1.075 18.155 19.000 0.383 0.000 0.814 400 A HN 0.460 nan 8.150 nan 0.000 0.444 401 V N -0.385 119.445 119.914 -0.139 0.000 2.255 401 V HA -0.262 3.864 4.120 0.009 0.000 0.247 401 V C 2.595 178.599 176.094 -0.150 0.000 1.051 401 V CA 2.190 64.291 62.300 -0.332 0.000 1.018 401 V CB -0.774 30.840 31.823 -0.349 0.000 0.641 401 V HN 0.388 nan 8.190 nan 0.000 0.445 402 V N 0.650 120.514 119.914 -0.084 0.000 2.343 402 V HA -0.164 3.961 4.120 0.009 0.000 0.247 402 V C 2.603 178.614 176.094 -0.139 0.000 1.051 402 V CA 2.183 64.433 62.300 -0.084 0.000 1.036 402 V CB -1.357 30.471 31.823 0.009 0.000 0.654 402 V HN 0.620 nan 8.190 nan 0.000 0.451 403 G N -0.437 108.345 108.800 -0.030 0.000 2.402 403 G HA2 -0.220 3.745 3.960 0.009 0.000 0.216 403 G HA3 -0.220 3.745 3.960 0.009 0.000 0.216 403 G C 1.224 176.059 174.900 -0.108 0.000 1.162 403 G CA 0.976 46.067 45.100 -0.015 0.000 0.777 403 G HN 0.503 nan 8.290 nan 0.000 0.539 404 D N -0.263 120.077 120.400 -0.100 0.000 2.097 404 D HA -0.069 4.576 4.640 0.009 0.000 0.197 404 D C 2.093 178.060 176.300 -0.556 0.000 0.984 404 D CA 1.222 55.121 54.000 -0.168 0.000 0.826 404 D CB -0.501 40.369 40.800 0.118 0.000 0.973 404 D HN 0.400 nan 8.370 nan 0.000 0.460 405 H N 1.031 119.483 119.070 -1.030 0.000 2.321 405 H HA -0.007 4.554 4.556 0.008 0.000 0.300 405 H C 1.499 176.417 175.328 -0.683 0.000 1.087 405 H CA 1.811 57.094 56.048 -1.275 0.000 1.319 405 H CB 0.018 28.997 29.762 -1.305 0.000 1.379 405 H HN -0.003 nan 8.280 nan 0.000 0.501 406 N N -0.793 117.448 118.700 -0.766 0.000 2.368 406 N HA -0.011 4.734 4.740 0.009 0.000 0.176 406 N C 1.369 176.602 175.510 -0.462 0.000 1.021 406 N CA 1.157 53.686 53.050 -0.868 0.000 0.888 406 N CB 0.874 38.253 38.487 -1.847 0.000 0.995 406 N HN 0.287 nan 8.380 nan 0.000 0.437 407 V N -0.370 119.350 119.914 -0.324 0.000 3.278 407 V HA 0.056 4.181 4.120 0.009 0.000 0.215 407 V C 2.209 178.263 176.094 -0.066 0.000 1.287 407 V CA 0.216 62.471 62.300 -0.076 0.000 1.302 407 V CB -0.150 31.715 31.823 0.071 0.000 1.228 407 V HN -0.166 nan 8.190 nan 0.000 0.523 408 V N 0.103 119.979 119.914 -0.064 0.000 2.255 408 V HA -0.308 3.818 4.120 0.009 0.000 0.247 408 V C 2.503 178.560 176.094 -0.062 0.000 1.051 408 V CA 2.642 64.917 62.300 -0.042 0.000 1.018 408 V CB -0.802 31.027 31.823 0.011 0.000 0.641 408 V HN 0.669 nan 8.190 nan 0.000 0.445 409 c N -0.579 117.972 118.600 -0.081 0.000 2.450 409 c HA 0.015 4.590 4.570 0.009 0.000 0.279 409 c C 0.493 174.545 174.090 -0.064 0.000 1.335 409 c CA 0.768 57.080 56.329 -0.028 0.000 1.749 409 c CB -1.679 40.848 42.510 0.029 0.000 1.963 409 c HN 0.452 nan 8.230 nan 0.000 0.501 410 P HA -0.042 nan 4.420 nan 0.000 0.219 410 P C 1.777 179.008 177.300 -0.116 0.000 1.150 410 P CA 1.213 64.232 63.100 -0.134 0.000 0.814 410 P CB -0.084 31.502 31.700 -0.191 0.000 0.787 411 V N 0.061 119.910 119.914 -0.109 0.000 2.358 411 V HA -0.228 3.897 4.120 0.009 0.000 0.246 411 V C 2.395 178.390 176.094 -0.165 0.000 1.047 411 V CA 2.196 64.418 62.300 -0.131 0.000 1.035 411 V CB -1.604 30.142 31.823 -0.128 0.000 0.658 411 V HN 0.083 nan 8.190 nan 0.000 0.452 412 A N -0.331 122.409 122.820 -0.134 0.000 1.883 412 A HA -0.331 3.994 4.320 0.009 0.000 0.217 412 A C 2.192 179.735 177.584 -0.067 0.000 1.186 412 A CA 2.326 54.291 52.037 -0.120 0.000 0.624 412 A CB -0.587 18.396 19.000 -0.029 0.000 0.822 412 A HN 0.584 nan 8.150 nan 0.000 0.444 413 Q N -0.670 119.105 119.800 -0.041 0.000 2.061 413 Q HA -0.175 4.171 4.340 0.009 0.000 0.204 413 Q C 1.895 177.870 176.000 -0.043 0.000 0.984 413 Q CA 1.992 57.784 55.803 -0.019 0.000 0.846 413 Q CB -0.442 28.281 28.738 -0.025 0.000 0.902 413 Q HN 0.531 nan 8.270 nan 0.000 0.421 414 L N 0.148 121.317 121.223 -0.090 0.000 2.017 414 L HA -0.025 4.321 4.340 0.009 0.000 0.208 414 L C 2.184 178.982 176.870 -0.119 0.000 1.073 414 L CA 2.230 57.002 54.840 -0.113 0.000 0.745 414 L CB -1.036 40.939 42.059 -0.140 0.000 0.894 414 L HN 0.296 nan 8.230 nan 0.000 0.432 415 A N -0.473 122.243 122.820 -0.173 0.000 1.908 415 A HA -0.100 4.225 4.320 0.009 0.000 0.218 415 A C 2.335 179.923 177.584 0.006 0.000 1.181 415 A CA 1.674 53.573 52.037 -0.230 0.000 0.627 415 A CB -1.637 16.966 19.000 -0.661 0.000 0.818 415 A HN 0.544 nan 8.150 nan 0.000 0.445 416 G N -0.549 108.305 108.800 0.091 0.000 2.421 416 G HA2 -0.204 3.762 3.960 0.009 0.000 0.216 416 G HA3 -0.204 3.762 3.960 0.009 0.000 0.216 416 G C 1.644 176.623 174.900 0.132 0.000 1.171 416 G CA 0.774 46.008 45.100 0.223 0.000 0.775 416 G HN 0.437 nan 8.290 nan 0.000 0.543 417 R N 0.221 120.765 120.500 0.073 0.000 2.115 417 R HA 0.146 4.492 4.340 0.009 0.000 0.230 417 R C 2.592 178.958 176.300 0.109 0.000 1.111 417 R CA 0.355 56.505 56.100 0.084 0.000 0.976 417 R CB -1.031 29.308 30.300 0.064 0.000 0.870 417 R HN 0.388 nan 8.270 nan 0.000 0.445 418 L N 0.406 121.645 121.223 0.026 0.000 2.056 418 L HA -0.093 4.253 4.340 0.009 0.000 0.207 418 L C 2.643 179.583 176.870 0.117 0.000 1.078 418 L CA 1.337 56.177 54.840 -0.000 0.000 0.749 418 L CB -0.670 41.298 42.059 -0.151 0.000 0.901 418 L HN 0.144 nan 8.230 nan 0.000 0.433 419 A N 0.087 122.977 122.820 0.117 0.000 1.877 419 A HA -0.178 4.147 4.320 0.009 0.000 0.216 419 A C 2.506 180.155 177.584 0.107 0.000 1.186 419 A CA 1.756 53.867 52.037 0.124 0.000 0.620 419 A CB -0.756 18.347 19.000 0.171 0.000 0.822 419 A HN 0.400 nan 8.150 nan 0.000 0.443 420 A N -1.433 121.453 122.820 0.110 0.000 1.972 420 A HA -0.134 4.191 4.320 0.009 0.000 0.219 420 A C 1.905 179.549 177.584 0.100 0.000 1.169 420 A CA 1.800 53.891 52.037 0.089 0.000 0.635 420 A CB -0.338 18.712 19.000 0.084 0.000 0.810 420 A HN 0.464 nan 8.150 nan 0.000 0.446 421 Q N -1.337 118.558 119.800 0.159 0.000 2.282 421 Q HA 0.340 4.686 4.340 0.009 0.000 0.205 421 Q C 1.030 177.121 176.000 0.153 0.000 0.915 421 Q CA 0.750 56.656 55.803 0.171 0.000 0.949 421 Q CB -0.028 28.915 28.738 0.342 0.000 1.035 421 Q HN 0.891 nan 8.270 nan 0.000 0.484 422 G N -1.475 107.401 108.800 0.127 0.000 2.175 422 G HA2 -0.238 3.727 3.960 0.009 0.000 0.244 422 G HA3 -0.238 3.727 3.960 0.009 0.000 0.244 422 G C 0.267 175.239 174.900 0.121 0.000 0.982 422 G CA -0.047 45.112 45.100 0.100 0.000 0.641 422 G HN 0.589 nan 8.290 nan 0.000 0.527 423 A N -0.345 122.572 122.820 0.163 0.000 2.304 423 A HA 0.815 5.141 4.320 0.009 0.000 0.271 423 A C 0.548 178.182 177.584 0.083 0.000 1.091 423 A CA 0.275 52.397 52.037 0.141 0.000 0.812 423 A CB 0.527 19.612 19.000 0.142 0.000 1.056 423 A HN 0.926 nan 8.150 nan 0.000 0.489 424 R N 1.175 121.722 120.500 0.078 0.000 2.196 424 R HA 0.496 4.841 4.340 0.009 0.000 0.340 424 R C -1.445 174.859 176.300 0.006 0.000 1.043 424 R CA 0.104 56.218 56.100 0.024 0.000 0.883 424 R CB 0.252 30.598 30.300 0.076 0.000 1.078 424 R HN 0.411 nan 8.270 nan 0.000 0.462 425 V N 5.987 125.842 119.914 -0.100 0.000 2.555 425 V HA 0.450 4.575 4.120 0.009 0.000 0.302 425 V C -0.966 174.980 176.094 -0.246 0.000 1.038 425 V CA -0.744 61.510 62.300 -0.077 0.000 0.887 425 V CB 1.439 33.283 31.823 0.036 0.000 0.991 425 V HN 0.645 nan 8.190 nan 0.000 0.434 426 Y N 2.063 122.333 120.300 -0.050 0.000 2.409 426 Y HA 0.793 5.348 4.550 0.007 0.000 0.343 426 Y C 0.301 176.293 175.900 0.153 0.000 0.973 426 Y CA -0.554 57.527 58.100 -0.031 0.000 1.064 426 Y CB 2.236 40.319 38.460 -0.629 0.000 1.207 426 Y HN 0.762 nan 8.280 nan 0.000 0.452 427 A N 3.095 126.295 122.820 0.633 0.000 2.401 427 A HA 0.869 5.195 4.320 0.009 0.000 0.310 427 A C -1.862 176.062 177.584 0.567 0.000 1.075 427 A CA -0.681 51.589 52.037 0.387 0.000 0.746 427 A CB 1.101 20.160 19.000 0.098 0.000 1.277 427 A HN 0.748 nan 8.150 nan 0.000 0.425 428 Y N -0.545 119.971 120.300 0.361 0.000 2.625 428 Y HA 0.799 5.353 4.550 0.006 0.000 0.338 428 Y C -1.238 174.823 175.900 0.270 0.000 1.123 428 Y CA -1.742 56.521 58.100 0.271 0.000 1.046 428 Y CB 1.300 39.891 38.460 0.218 0.000 1.299 428 Y HN 0.751 nan 8.280 nan 0.000 0.464 429 I N 2.835 123.734 120.570 0.547 0.000 2.499 429 I HA 0.479 4.655 4.170 0.009 0.000 0.288 429 I C -1.962 174.501 176.117 0.576 0.000 1.048 429 I CA -0.987 60.592 61.300 0.465 0.000 1.062 429 I CB 1.196 39.400 38.000 0.340 0.000 1.238 429 I HN 0.733 nan 8.210 nan 0.000 0.426 430 F N 7.337 127.575 119.950 0.479 0.000 2.411 430 F HA 0.405 4.938 4.527 0.009 0.000 0.355 430 F C 0.581 176.537 175.800 0.260 0.000 1.117 430 F CA 0.125 58.341 58.000 0.359 0.000 1.139 430 F CB 0.958 40.181 39.000 0.371 0.000 1.120 430 F HN 0.555 nan 8.300 nan 0.000 0.493 431 E N 2.993 123.094 120.200 -0.164 0.000 2.630 431 E HA -0.016 4.339 4.350 0.009 0.000 0.218 431 E C -0.774 175.723 176.600 -0.171 0.000 0.977 431 E CA -0.174 56.186 56.400 -0.068 0.000 1.038 431 E CB 0.282 29.970 29.700 -0.020 0.000 1.051 431 E HN 0.515 nan 8.360 nan 0.000 0.487 432 H N 1.783 120.500 119.070 -0.588 0.000 2.562 432 H HA 0.214 4.774 4.556 0.008 0.000 0.314 432 H C -0.339 174.948 175.328 -0.068 0.000 1.079 432 H CA -0.519 55.265 56.048 -0.441 0.000 1.349 432 H CB 0.561 29.846 29.762 -0.795 0.000 1.432 432 H HN -0.129 nan 8.280 nan 0.000 0.479 433 R N 4.274 124.438 120.500 -0.560 0.000 2.221 433 R HA 0.503 4.848 4.340 0.009 0.000 0.327 433 R C -0.641 175.385 176.300 -0.456 0.000 1.033 433 R CA -0.638 55.292 56.100 -0.283 0.000 0.887 433 R CB 0.408 30.627 30.300 -0.135 0.000 1.057 433 R HN 0.783 nan 8.270 nan 0.000 0.455 434 A N 3.167 126.022 122.820 0.059 0.000 2.540 434 A HA 0.008 4.333 4.320 0.009 0.000 0.239 434 A C 1.339 179.009 177.584 0.144 0.000 1.061 434 A CA 0.490 52.748 52.037 0.367 0.000 0.758 434 A CB 0.318 19.678 19.000 0.601 0.000 0.991 434 A HN 1.025 nan 8.150 nan 0.000 0.502 435 S N 1.358 117.173 115.700 0.192 0.000 2.442 435 S HA -0.151 4.324 4.470 0.009 0.000 0.236 435 S C 1.347 175.932 174.600 -0.024 0.000 1.007 435 S CA 1.604 59.848 58.200 0.073 0.000 0.965 435 S CB -0.760 62.505 63.200 0.109 0.000 0.773 435 S HN 1.292 nan 8.310 nan 0.000 0.504 436 T N -0.900 113.600 114.554 -0.089 0.000 3.107 436 T HA 0.348 4.703 4.350 0.009 0.000 0.249 436 T C 0.357 174.996 174.700 -0.102 0.000 1.096 436 T CA -0.564 61.421 62.100 -0.192 0.000 1.012 436 T CB -0.470 68.118 68.868 -0.467 0.000 0.977 436 T HN 0.234 nan 8.240 nan 0.000 0.527 437 L N 4.135 125.346 121.223 -0.021 0.000 2.499 437 L HA 0.255 4.600 4.340 0.009 0.000 0.273 437 L C 1.506 178.340 176.870 -0.060 0.000 1.195 437 L CA 0.766 55.596 54.840 -0.016 0.000 0.882 437 L CB 0.775 42.835 42.059 0.001 0.000 1.133 437 L HN 0.444 nan 8.230 nan 0.000 0.483 438 T N -0.279 114.198 114.554 -0.128 0.000 3.086 438 T HA 0.119 4.475 4.350 0.009 0.000 0.250 438 T C 0.319 174.983 174.700 -0.059 0.000 1.074 438 T CA -0.444 61.573 62.100 -0.137 0.000 0.988 438 T CB -0.323 68.377 68.868 -0.279 0.000 0.988 438 T HN 0.413 nan 8.240 nan 0.000 0.530 439 W N 3.266 124.569 121.300 0.004 0.000 2.215 439 W HA 0.459 5.125 4.660 0.009 0.000 0.342 439 W C -1.974 174.458 176.519 -0.145 0.000 1.237 439 W CA -2.320 55.003 57.345 -0.036 0.000 1.283 439 W CB 0.243 29.607 29.460 -0.161 0.000 1.131 439 W HN -0.073 nan 8.180 nan 0.000 0.606 440 P HA -0.025 nan 4.420 nan 0.000 0.270 440 P C 0.470 177.700 177.300 -0.116 0.000 1.223 440 P CA 0.203 63.282 63.100 -0.036 0.000 0.785 440 P CB 0.927 32.632 31.700 0.007 0.000 0.923 441 L N 0.317 121.533 121.223 -0.012 0.000 2.131 441 L HA -0.110 4.235 4.340 0.009 0.000 0.210 441 L C 2.629 179.517 176.870 0.030 0.000 1.092 441 L CA 1.211 56.056 54.840 0.009 0.000 0.759 441 L CB -0.974 41.122 42.059 0.060 0.000 0.903 441 L HN 0.606 nan 8.230 nan 0.000 0.435 442 W N -0.092 121.250 121.300 0.070 0.000 2.421 442 W HA -0.169 4.496 4.660 0.008 0.000 0.270 442 W C 1.682 178.258 176.519 0.095 0.000 1.233 442 W CA 0.581 57.972 57.345 0.076 0.000 1.226 442 W CB -0.805 28.700 29.460 0.075 0.000 1.121 442 W HN 0.198 nan 8.180 nan 0.000 0.579 443 M N 1.377 120.563 119.600 -0.691 0.000 2.619 443 M HA 0.117 4.602 4.480 0.009 0.000 0.251 443 M C 1.836 178.015 176.300 -0.200 0.000 1.106 443 M CA 1.397 56.296 55.300 -0.667 0.000 1.086 443 M CB -0.703 31.376 32.600 -0.869 0.000 1.465 443 M HN 0.187 nan 8.290 nan 0.000 0.506 444 G N 0.756 109.507 108.800 -0.081 0.000 2.622 444 G HA2 -0.299 3.666 3.960 0.009 0.000 0.307 444 G HA3 -0.299 3.666 3.960 0.009 0.000 0.307 444 G C -0.086 174.825 174.900 0.019 0.000 1.226 444 G CA -0.062 45.044 45.100 0.010 0.000 0.997 444 G HN 0.243 nan 8.290 nan 0.000 0.551 445 V N 3.866 123.837 119.914 0.094 0.000 2.259 445 V HA 0.451 4.576 4.120 0.009 0.000 0.267 445 V C -1.802 174.422 176.094 0.217 0.000 1.051 445 V CA -0.786 61.623 62.300 0.183 0.000 0.830 445 V CB 1.147 33.132 31.823 0.269 0.000 1.080 445 V HN 0.534 nan 8.190 nan 0.000 0.467 446 P HA 0.136 nan 4.420 nan 0.000 0.274 446 P C -0.186 177.338 177.300 0.374 0.000 1.237 446 P CA -0.408 62.812 63.100 0.199 0.000 0.793 446 P CB 0.365 32.052 31.700 -0.021 0.000 0.977 447 H N 0.866 120.019 119.070 0.137 0.000 3.125 447 H HA 0.226 4.786 4.556 0.008 0.000 0.310 447 H C 1.604 176.853 175.328 -0.133 0.000 0.980 447 H CA 2.370 58.441 56.048 0.039 0.000 1.422 447 H CB -0.661 29.107 29.762 0.011 0.000 1.432 447 H HN 0.762 nan 8.280 nan 0.000 0.577 448 G N 3.445 112.051 108.800 -0.323 0.000 2.217 448 G HA2 -0.325 3.640 3.960 0.009 0.000 0.246 448 G HA3 -0.325 3.640 3.960 0.009 0.000 0.246 448 G C 0.597 175.363 174.900 -0.224 0.000 0.990 448 G CA 0.389 45.247 45.100 -0.403 0.000 0.627 448 G HN 0.646 nan 8.290 nan 0.000 0.522 449 Y N 1.573 121.971 120.300 0.162 0.000 2.462 449 Y HA 0.239 4.794 4.550 0.008 0.000 0.293 449 Y C 2.329 178.353 175.900 0.205 0.000 1.195 449 Y CA 0.998 59.256 58.100 0.263 0.000 1.276 449 Y CB 0.385 39.036 38.460 0.319 0.000 1.082 449 Y HN 0.523 nan 8.280 nan 0.000 0.514 450 E N 0.076 120.225 120.200 -0.085 0.000 2.364 450 E HA -0.044 4.312 4.350 0.009 0.000 0.196 450 E C 1.619 178.083 176.600 -0.226 0.000 0.990 450 E CA 0.564 56.546 56.400 -0.696 0.000 0.886 450 E CB -0.437 28.442 29.700 -1.367 0.000 0.866 450 E HN 0.523 nan 8.360 nan 0.000 0.493 451 I N 2.908 123.447 120.570 -0.052 0.000 2.151 451 I HA -0.323 3.852 4.170 0.009 0.000 0.243 451 I C 2.672 178.783 176.117 -0.011 0.000 1.080 451 I CA 2.215 63.533 61.300 0.030 0.000 1.339 451 I CB -0.575 37.515 38.000 0.150 0.000 1.039 451 I HN 0.201 nan 8.210 nan 0.000 0.409 452 E N 0.983 121.122 120.200 -0.101 0.000 2.209 452 E HA -0.242 4.113 4.350 0.009 0.000 0.196 452 E C 2.015 178.366 176.600 -0.415 0.000 0.993 452 E CA 1.544 57.779 56.400 -0.274 0.000 0.819 452 E CB -0.534 28.985 29.700 -0.302 0.000 0.745 452 E HN 0.465 nan 8.360 nan 0.000 0.477 453 F N 1.240 121.089 119.950 -0.169 0.000 2.187 453 F HA 0.002 4.536 4.527 0.011 0.000 0.295 453 F C 2.355 177.939 175.800 -0.360 0.000 1.091 453 F CA 0.494 58.343 58.000 -0.252 0.000 1.308 453 F CB -0.083 38.847 39.000 -0.116 0.000 1.030 453 F HN -0.046 nan 8.300 nan 0.000 0.487 454 I N -0.803 119.618 120.570 -0.248 0.000 2.286 454 I HA -0.288 3.887 4.170 0.009 0.000 0.248 454 I C 2.020 177.908 176.117 -0.382 0.000 1.115 454 I CA 1.745 62.736 61.300 -0.515 0.000 1.392 454 I CB -1.346 36.241 38.000 -0.687 0.000 1.065 454 I HN 0.091 nan 8.210 nan 0.000 0.418 455 F N 1.007 120.776 119.950 -0.303 0.000 2.748 455 F HA 0.188 4.721 4.527 0.009 0.000 0.299 455 F C 1.883 177.563 175.800 -0.200 0.000 1.154 455 F CA 0.813 58.680 58.000 -0.221 0.000 1.446 455 F CB -0.365 38.489 39.000 -0.242 0.000 1.112 455 F HN 0.294 nan 8.300 nan 0.000 0.584 456 G N 0.050 108.719 108.800 -0.218 0.000 2.147 456 G HA2 -0.310 3.655 3.960 0.009 0.000 0.244 456 G HA3 -0.310 3.655 3.960 0.009 0.000 0.244 456 G C 0.990 175.330 174.900 -0.933 0.000 1.005 456 G CA 0.336 45.185 45.100 -0.418 0.000 0.713 456 G HN 0.311 nan 8.290 nan 0.000 0.515 457 L N 0.322 121.036 121.223 -0.848 0.000 2.127 457 L HA 0.036 4.381 4.340 0.009 0.000 0.211 457 L C 0.464 176.742 176.870 -0.988 0.000 1.089 457 L CA 2.634 56.885 54.840 -0.982 0.000 0.757 457 L CB -0.908 40.818 42.059 -0.555 0.000 0.899 457 L HN 0.209 nan 8.230 nan 0.000 0.434 458 P HA -0.151 nan 4.420 nan 0.000 0.221 458 P C 1.609 178.618 177.300 -0.485 0.000 1.145 458 P CA 0.839 63.312 63.100 -1.045 0.000 0.795 458 P CB 0.066 31.203 31.700 -0.939 0.000 0.775 459 L N -1.087 119.800 121.223 -0.560 0.000 2.362 459 L HA -0.060 4.286 4.340 0.009 0.000 0.219 459 L C 0.881 177.609 176.870 -0.236 0.000 1.134 459 L CA 1.232 55.864 54.840 -0.346 0.000 0.807 459 L CB -1.315 40.554 42.059 -0.318 0.000 0.927 459 L HN -0.030 nan 8.230 nan 0.000 0.447 460 D N -0.418 119.784 120.400 -0.329 0.000 2.352 460 D HA 0.084 4.729 4.640 0.009 0.000 0.245 460 D C -1.566 174.729 176.300 -0.008 0.000 1.224 460 D CA -2.124 51.837 54.000 -0.065 0.000 0.879 460 D CB 1.412 42.209 40.800 -0.004 0.000 1.057 460 D HN -0.045 nan 8.370 nan 0.000 0.491 461 P HA -0.232 nan 4.420 nan 0.000 0.217 461 P C 1.310 178.625 177.300 0.024 0.000 1.162 461 P CA 1.738 64.852 63.100 0.023 0.000 0.901 461 P CB -0.024 31.689 31.700 0.022 0.000 0.793 462 S N -1.384 114.329 115.700 0.021 0.000 2.528 462 S HA -0.102 4.373 4.470 0.009 0.000 0.244 462 S C 1.640 176.238 174.600 -0.002 0.000 0.982 462 S CA 0.895 59.100 58.200 0.008 0.000 0.953 462 S CB -1.428 61.776 63.200 0.008 0.000 0.754 462 S HN 0.112 nan 8.310 nan 0.000 0.529 463 L N 0.268 121.505 121.223 0.022 0.000 2.567 463 L HA 0.202 4.547 4.340 0.009 0.000 0.225 463 L C 0.256 177.078 176.870 -0.081 0.000 1.119 463 L CA -0.031 54.812 54.840 0.006 0.000 0.871 463 L CB -0.604 41.540 42.059 0.141 0.000 1.036 463 L HN 0.233 nan 8.230 nan 0.000 0.459 464 N N -1.571 117.114 118.700 -0.024 0.000 2.818 464 N HA -0.220 4.526 4.740 0.009 0.000 0.250 464 N C -0.448 175.011 175.510 -0.085 0.000 1.108 464 N CA 0.803 53.815 53.050 -0.063 0.000 0.745 464 N CB -1.884 36.536 38.487 -0.111 0.000 1.104 464 N HN 0.288 nan 8.380 nan 0.000 0.557 465 Y N 0.916 121.200 120.300 -0.027 0.000 2.299 465 Y HA 0.232 4.787 4.550 0.008 0.000 0.335 465 Y C 1.955 177.877 175.900 0.037 0.000 1.287 465 Y CA 0.264 58.374 58.100 0.016 0.000 1.424 465 Y CB 0.528 38.981 38.460 -0.012 0.000 1.326 465 Y HN 0.096 nan 8.280 nan 0.000 0.567 466 T N -2.885 111.817 114.554 0.246 0.000 2.828 466 T HA 0.058 4.413 4.350 0.009 0.000 0.290 466 T C 1.106 175.889 174.700 0.140 0.000 1.019 466 T CA -0.381 61.811 62.100 0.154 0.000 1.031 466 T CB 0.930 69.880 68.868 0.137 0.000 1.001 466 T HN 0.707 nan 8.240 nan 0.000 0.531 467 T N 1.044 115.649 114.554 0.086 0.000 2.788 467 T HA -0.080 4.275 4.350 0.009 0.000 0.268 467 T C 1.780 176.519 174.700 0.065 0.000 1.044 467 T CA 1.745 63.883 62.100 0.063 0.000 1.139 467 T CB -0.407 68.485 68.868 0.040 0.000 0.867 467 T HN 0.734 nan 8.240 nan 0.000 0.454 468 E N 1.145 121.383 120.200 0.062 0.000 2.106 468 E HA -0.070 4.285 4.350 0.009 0.000 0.192 468 E C 2.234 178.885 176.600 0.085 0.000 0.984 468 E CA 0.933 57.355 56.400 0.038 0.000 0.806 468 E CB -0.163 29.530 29.700 -0.011 0.000 0.750 468 E HN 0.565 nan 8.360 nan 0.000 0.458 469 E N 0.158 120.459 120.200 0.168 0.000 2.153 469 E HA -0.166 4.189 4.350 0.009 0.000 0.194 469 E C 2.122 178.887 176.600 0.276 0.000 0.988 469 E CA 0.637 57.248 56.400 0.352 0.000 0.811 469 E CB -0.029 30.024 29.700 0.588 0.000 0.746 469 E HN 0.085 nan 8.360 nan 0.000 0.466 470 R N 0.441 121.019 120.500 0.130 0.000 2.073 470 R HA -0.155 4.190 4.340 0.009 0.000 0.234 470 R C 2.146 178.464 176.300 0.030 0.000 1.134 470 R CA 1.188 57.300 56.100 0.021 0.000 0.952 470 R CB -0.112 30.194 30.300 0.010 0.000 0.850 470 R HN 0.065 nan 8.270 nan 0.000 0.433 471 I N 0.009 120.616 120.570 0.062 0.000 2.286 471 I HA -0.240 3.935 4.170 0.009 0.000 0.248 471 I C 1.961 178.135 176.117 0.095 0.000 1.115 471 I CA 1.032 62.363 61.300 0.051 0.000 1.392 471 I CB -0.445 37.582 38.000 0.046 0.000 1.065 471 I HN 0.161 nan 8.210 nan 0.000 0.418 472 F N 1.619 121.544 119.950 -0.041 0.000 2.102 472 F HA -0.218 4.313 4.527 0.007 0.000 0.298 472 F C 2.435 178.240 175.800 0.009 0.000 1.105 472 F CA 1.321 59.288 58.000 -0.054 0.000 1.239 472 F CB -0.856 38.056 39.000 -0.147 0.000 0.991 472 F HN 0.058 nan 8.300 nan 0.000 0.474 473 A N 0.119 122.913 122.820 -0.043 0.000 1.908 473 A HA -0.267 4.059 4.320 0.009 0.000 0.218 473 A C 2.170 179.632 177.584 -0.204 0.000 1.181 473 A CA 1.979 53.918 52.037 -0.164 0.000 0.627 473 A CB -0.972 17.932 19.000 -0.160 0.000 0.818 473 A HN 0.618 nan 8.150 nan 0.000 0.445 474 Q N -0.880 118.840 119.800 -0.134 0.000 2.084 474 Q HA -0.173 4.172 4.340 0.009 0.000 0.202 474 Q C 2.392 178.294 176.000 -0.162 0.000 0.978 474 Q CA 1.512 57.242 55.803 -0.122 0.000 0.844 474 Q CB -0.189 28.504 28.738 -0.075 0.000 0.898 474 Q HN 0.623 nan 8.270 nan 0.000 0.426 475 R N 0.312 120.703 120.500 -0.181 0.000 2.083 475 R HA -0.133 4.212 4.340 0.009 0.000 0.237 475 R C 2.347 178.385 176.300 -0.437 0.000 1.137 475 R CA 1.239 57.152 56.100 -0.311 0.000 0.951 475 R CB -0.379 29.812 30.300 -0.181 0.000 0.851 475 R HN 0.243 nan 8.270 nan 0.000 0.434 476 L N 0.111 121.166 121.223 -0.281 0.000 2.017 476 L HA -0.198 4.147 4.340 0.009 0.000 0.208 476 L C 2.581 179.419 176.870 -0.052 0.000 1.073 476 L CA 1.433 56.206 54.840 -0.111 0.000 0.745 476 L CB -0.414 41.412 42.059 -0.388 0.000 0.894 476 L HN 0.220 nan 8.230 nan 0.000 0.432 477 M N -0.750 118.753 119.600 -0.162 0.000 2.149 477 M HA -0.204 4.281 4.480 0.009 0.000 0.261 477 M C 2.327 178.627 176.300 -0.000 0.000 1.064 477 M CA 1.535 56.773 55.300 -0.103 0.000 1.102 477 M CB -0.363 32.161 32.600 -0.125 0.000 1.369 477 M HN 0.073 nan 8.290 nan 0.000 0.408 478 K N 0.013 120.374 120.400 -0.065 0.000 2.002 478 K HA -0.140 4.185 4.320 0.009 0.000 0.209 478 K C 1.881 178.525 176.600 0.074 0.000 1.048 478 K CA 1.776 58.030 56.287 -0.055 0.000 0.930 478 K CB -0.634 31.760 32.500 -0.176 0.000 0.714 478 K HN 0.341 nan 8.250 nan 0.000 0.438 479 Y N -0.327 120.099 120.300 0.211 0.000 2.128 479 Y HA -0.231 4.325 4.550 0.011 0.000 0.284 479 Y C 2.480 178.513 175.900 0.221 0.000 1.154 479 Y CA 0.803 59.057 58.100 0.256 0.000 1.149 479 Y CB -0.779 37.978 38.460 0.496 0.000 0.976 479 Y HN 0.235 nan 8.280 nan 0.000 0.505 480 W N 0.505 121.878 121.300 0.122 0.000 2.379 480 W HA -0.207 4.458 4.660 0.007 0.000 0.307 480 W C 2.502 179.013 176.519 -0.013 0.000 1.200 480 W CA 2.120 59.474 57.345 0.015 0.000 1.297 480 W CB -0.593 28.797 29.460 -0.115 0.000 1.140 480 W HN 0.226 nan 8.180 nan 0.000 0.507 481 T N -2.069 112.582 114.554 0.161 0.000 2.904 481 T HA -0.139 4.217 4.350 0.009 0.000 0.267 481 T C 1.410 176.126 174.700 0.027 0.000 1.059 481 T CA 1.150 63.277 62.100 0.045 0.000 1.137 481 T CB -0.555 68.321 68.868 0.014 0.000 0.879 481 T HN -0.073 nan 8.240 nan 0.000 0.467 482 N N 0.883 119.618 118.700 0.058 0.000 2.142 482 N HA 0.012 4.757 4.740 0.009 0.000 0.186 482 N C 1.387 176.878 175.510 -0.033 0.000 1.023 482 N CA 0.974 54.035 53.050 0.018 0.000 0.852 482 N CB -0.655 37.863 38.487 0.052 0.000 0.998 482 N HN 0.469 nan 8.380 nan 0.000 0.424 483 F N 1.795 121.650 119.950 -0.158 0.000 2.134 483 F HA -0.076 4.456 4.527 0.009 0.000 0.299 483 F C 2.177 177.885 175.800 -0.153 0.000 1.097 483 F CA 1.289 59.142 58.000 -0.244 0.000 1.264 483 F CB -0.433 38.326 39.000 -0.402 0.000 1.001 483 F HN 0.027 nan 8.300 nan 0.000 0.479 484 A N 0.571 123.281 122.820 -0.183 0.000 1.902 484 A HA -0.178 4.147 4.320 0.009 0.000 0.217 484 A C 2.367 179.827 177.584 -0.207 0.000 1.181 484 A CA 1.727 53.643 52.037 -0.202 0.000 0.623 484 A CB -0.696 18.259 19.000 -0.076 0.000 0.818 484 A HN 0.453 nan 8.150 nan 0.000 0.443 485 R N -1.131 119.280 120.500 -0.148 0.000 2.075 485 R HA -0.073 4.273 4.340 0.009 0.000 0.232 485 R C 1.975 178.185 176.300 -0.150 0.000 1.126 485 R CA 1.854 57.884 56.100 -0.117 0.000 0.963 485 R CB -0.217 30.042 30.300 -0.068 0.000 0.858 485 R HN 0.732 nan 8.270 nan 0.000 0.435 486 T N -5.552 108.886 114.554 -0.195 0.000 2.986 486 T HA 0.252 4.607 4.350 0.009 0.000 0.264 486 T C 1.136 175.693 174.700 -0.238 0.000 0.964 486 T CA 0.362 62.358 62.100 -0.174 0.000 0.895 486 T CB 1.395 70.201 68.868 -0.103 0.000 1.163 486 T HN 0.325 nan 8.240 nan 0.000 0.517 487 G N 1.300 109.812 108.800 -0.479 0.000 2.143 487 G HA2 -0.150 3.815 3.960 0.009 0.000 0.249 487 G HA3 -0.150 3.815 3.960 0.009 0.000 0.249 487 G C -0.395 174.410 174.900 -0.158 0.000 0.981 487 G CA 0.151 44.901 45.100 -0.583 0.000 0.665 487 G HN 0.796 nan 8.290 nan 0.000 0.528 488 D N -0.635 119.667 120.400 -0.164 0.000 2.736 488 D HA 0.415 5.061 4.640 0.009 0.000 0.243 488 D C -1.339 174.803 176.300 -0.263 0.000 1.304 488 D CA -1.423 52.443 54.000 -0.223 0.000 0.934 488 D CB 2.130 42.893 40.800 -0.062 0.000 1.382 488 D HN -0.001 nan 8.370 nan 0.000 0.571 489 P HA -0.069 nan 4.420 nan 0.000 0.226 489 P C 0.062 177.380 177.300 0.030 0.000 1.153 489 P CA 0.174 63.093 63.100 -0.301 0.000 0.777 489 P CB 0.426 31.613 31.700 -0.855 0.000 0.794 490 N N 1.531 120.213 118.700 -0.030 0.000 2.508 490 N HA 0.012 4.758 4.740 0.009 0.000 0.264 490 N C 0.128 175.704 175.510 0.111 0.000 1.216 490 N CA 0.361 53.490 53.050 0.132 0.000 0.943 490 N CB 0.549 39.105 38.487 0.114 0.000 1.113 490 N HN 0.084 nan 8.380 nan 0.000 0.447 491 D N 1.711 122.193 120.400 0.137 0.000 2.343 491 D HA 0.085 4.730 4.640 0.009 0.000 0.255 491 D C -1.384 174.956 176.300 0.066 0.000 1.187 491 D CA -1.492 52.559 54.000 0.084 0.000 0.875 491 D CB 1.358 42.205 40.800 0.077 0.000 1.136 491 D HN 0.238 nan 8.370 nan 0.000 0.469 492 P HA -0.153 nan 4.420 nan 0.000 0.216 492 P C 0.864 178.187 177.300 0.039 0.000 1.150 492 P CA 1.296 64.418 63.100 0.037 0.000 0.843 492 P CB 0.426 32.139 31.700 0.022 0.000 0.787 493 R N -0.399 120.123 120.500 0.037 0.000 2.027 493 R HA 0.021 4.366 4.340 0.009 0.000 0.191 493 R C 1.034 177.360 176.300 0.044 0.000 1.221 493 R CA 0.125 56.246 56.100 0.035 0.000 1.133 493 R CB -1.615 28.702 30.300 0.029 0.000 0.770 493 R HN 0.028 nan 8.270 nan 0.000 0.515 494 D N 1.508 121.936 120.400 0.045 0.000 6.160 494 D HA -0.115 4.530 4.640 0.009 0.000 0.233 494 D C -0.093 176.247 176.300 0.066 0.000 1.525 494 D CA 0.265 54.297 54.000 0.053 0.000 0.966 494 D CB 0.261 41.094 40.800 0.056 0.000 1.453 494 D HN 0.289 nan 8.370 nan 0.000 0.842 495 S N 2.371 118.105 115.700 0.057 0.000 2.436 495 S HA -0.113 4.362 4.470 0.009 0.000 0.228 495 S C 2.253 176.891 174.600 0.063 0.000 1.014 495 S CA 1.099 59.336 58.200 0.061 0.000 0.950 495 S CB 0.208 63.438 63.200 0.050 0.000 0.784 495 S HN 0.712 nan 8.310 nan 0.000 0.504 496 K N 2.169 122.603 120.400 0.056 0.000 1.988 496 K HA -0.034 4.291 4.320 0.009 0.000 0.221 496 K C 1.221 177.860 176.600 0.064 0.000 1.053 496 K CA 1.714 58.033 56.287 0.053 0.000 0.959 496 K CB -1.566 30.960 32.500 0.044 0.000 0.728 496 K HN 0.414 nan 8.250 nan 0.000 0.447 497 S N 2.119 117.865 115.700 0.077 0.000 2.558 497 S HA 0.212 4.688 4.470 0.009 0.000 0.291 497 S C -2.056 172.609 174.600 0.109 0.000 1.306 497 S CA -0.562 57.697 58.200 0.097 0.000 1.056 497 S CB 0.678 63.954 63.200 0.128 0.000 0.836 497 S HN 0.584 nan 8.310 nan 0.000 0.504 498 P HA 0.043 nan 4.420 nan 0.000 0.269 498 P C -0.614 176.773 177.300 0.144 0.000 1.215 498 P CA -0.276 62.883 63.100 0.098 0.000 0.780 498 P CB 0.463 32.203 31.700 0.067 0.000 0.898 499 Q N 0.347 120.236 119.800 0.148 0.000 2.260 499 Q HA 0.178 4.523 4.340 0.009 0.000 0.242 499 Q C -0.539 175.623 176.000 0.270 0.000 0.932 499 Q CA 0.026 55.954 55.803 0.207 0.000 0.891 499 Q CB 0.974 29.821 28.738 0.180 0.000 1.222 499 Q HN 0.586 nan 8.270 nan 0.000 0.453 500 W N 5.870 127.231 121.300 0.101 0.000 2.311 500 W HA 0.337 5.002 4.660 0.009 0.000 0.317 500 W C -2.529 174.135 176.519 0.241 0.000 1.065 500 W CA -2.504 54.910 57.345 0.115 0.000 1.364 500 W CB 0.560 30.024 29.460 0.007 0.000 1.233 500 W HN 0.377 nan 8.180 nan 0.000 0.409 501 P HA 0.324 nan 4.420 nan 0.000 0.281 501 P C -2.653 174.844 177.300 0.329 0.000 1.249 501 P CA -1.787 61.539 63.100 0.376 0.000 0.810 501 P CB 1.388 33.218 31.700 0.218 0.000 1.008 502 P HA 0.068 nan 4.420 nan 0.000 0.269 502 P C -0.726 176.559 177.300 -0.026 0.000 1.215 502 P CA 0.285 63.174 63.100 -0.352 0.000 0.780 502 P CB 0.056 31.549 31.700 -0.346 0.000 0.898 503 Y N 2.224 122.459 120.300 -0.107 0.000 2.313 503 Y HA 0.466 5.024 4.550 0.013 0.000 0.332 503 Y C 0.069 175.962 175.900 -0.012 0.000 1.071 503 Y CA 0.217 58.329 58.100 0.020 0.000 1.169 503 Y CB 0.584 39.080 38.460 0.061 0.000 1.192 503 Y HN 0.398 nan 8.280 nan 0.000 0.487 504 T N 0.185 114.409 114.554 -0.550 0.000 2.896 504 T HA 0.236 4.591 4.350 0.009 0.000 0.297 504 T C 0.822 175.236 174.700 -0.475 0.000 1.108 504 T CA -0.210 61.687 62.100 -0.338 0.000 1.004 504 T CB 1.219 69.987 68.868 -0.166 0.000 1.159 504 T HN 0.680 nan 8.240 nan 0.000 0.499 505 T N -0.455 113.982 114.554 -0.196 0.000 2.788 505 T HA -0.031 4.325 4.350 0.009 0.000 0.268 505 T C 2.238 176.872 174.700 -0.111 0.000 1.044 505 T CA 1.088 63.120 62.100 -0.112 0.000 1.139 505 T CB -0.843 68.021 68.868 -0.005 0.000 0.867 505 T HN 0.886 nan 8.240 nan 0.000 0.454 506 A N 2.044 124.804 122.820 -0.100 0.000 1.832 506 A HA 0.422 4.747 4.320 0.009 0.000 0.214 506 A C 2.739 180.277 177.584 -0.077 0.000 1.200 506 A CA 1.823 53.821 52.037 -0.065 0.000 0.610 506 A CB -1.321 17.651 19.000 -0.046 0.000 0.842 506 A HN 0.760 nan 8.150 nan 0.000 0.444 507 A N -2.214 120.539 122.820 -0.112 0.000 2.095 507 A HA 0.240 4.565 4.320 0.009 0.000 0.212 507 A C 0.967 178.482 177.584 -0.115 0.000 1.162 507 A CA 0.879 52.865 52.037 -0.086 0.000 0.753 507 A CB -0.316 18.650 19.000 -0.058 0.000 0.840 507 A HN 0.591 nan 8.150 nan 0.000 0.468 508 Q N -0.259 119.352 119.800 -0.314 0.000 2.453 508 Q HA -0.231 4.114 4.340 0.009 0.000 0.294 508 Q C -0.705 175.323 176.000 0.045 0.000 1.295 508 Q CA 0.747 56.313 55.803 -0.394 0.000 0.853 508 Q CB -1.792 26.928 28.738 -0.031 0.000 1.193 508 Q HN 0.848 nan 8.270 nan 0.000 0.461 509 Q N 0.222 120.041 119.800 0.032 0.000 2.299 509 Q HA 0.541 4.886 4.340 0.009 0.000 0.246 509 Q C -0.334 175.955 176.000 0.481 0.000 0.935 509 Q CA -0.061 55.865 55.803 0.205 0.000 0.887 509 Q CB 0.664 29.462 28.738 0.100 0.000 1.223 509 Q HN 0.350 nan 8.270 nan 0.000 0.439 510 Y N -2.270 118.161 120.300 0.219 0.000 2.656 510 Y HA 0.671 5.232 4.550 0.019 0.000 0.334 510 Y C -1.268 174.644 175.900 0.019 0.000 1.179 510 Y CA -1.508 56.715 58.100 0.206 0.000 1.050 510 Y CB 0.469 39.051 38.460 0.203 0.000 1.308 510 Y HN 0.394 nan 8.280 nan 0.000 0.456 511 V N -0.408 119.425 119.914 -0.134 0.000 2.919 511 V HA 0.890 5.015 4.120 0.009 0.000 0.316 511 V C -0.264 175.736 176.094 -0.157 0.000 1.077 511 V CA -0.550 61.524 62.300 -0.377 0.000 0.977 511 V CB 1.397 32.741 31.823 -0.799 0.000 1.039 511 V HN 1.229 nan 8.190 nan 0.000 0.441 512 S N 2.898 118.505 115.700 -0.155 0.000 2.480 512 S HA 0.737 5.212 4.470 0.009 0.000 0.286 512 S C -0.582 173.987 174.600 -0.052 0.000 1.180 512 S CA -0.667 57.519 58.200 -0.022 0.000 1.075 512 S CB 0.706 63.883 63.200 -0.038 0.000 0.996 512 S HN 0.754 nan 8.310 nan 0.000 0.487 513 L N 4.749 125.989 121.223 0.029 0.000 2.276 513 L HA 0.558 4.904 4.340 0.009 0.000 0.286 513 L C 0.308 177.119 176.870 -0.099 0.000 1.024 513 L CA -0.345 54.539 54.840 0.074 0.000 0.826 513 L CB 0.224 42.414 42.059 0.218 0.000 1.211 513 L HN 0.952 nan 8.230 nan 0.000 0.422 514 N N 2.507 121.081 118.700 -0.211 0.000 3.364 514 N HA 0.282 5.027 4.740 0.009 0.000 0.294 514 N C 0.373 175.329 175.510 -0.923 0.000 1.562 514 N CA -0.966 51.672 53.050 -0.686 0.000 0.862 514 N CB 1.294 39.553 38.487 -0.381 0.000 1.691 514 N HN 0.207 nan 8.380 nan 0.000 0.572 515 L N -0.278 120.387 121.223 -0.929 0.000 2.265 515 L HA -0.011 4.334 4.340 0.009 0.000 0.215 515 L C 0.905 177.595 176.870 -0.301 0.000 1.117 515 L CA 1.185 55.617 54.840 -0.680 0.000 0.782 515 L CB -0.560 41.187 42.059 -0.521 0.000 0.914 515 L HN 0.368 nan 8.230 nan 0.000 0.441 516 K N 0.024 120.289 120.400 -0.224 0.000 2.107 516 K HA 0.284 4.610 4.320 0.009 0.000 0.251 516 K C -2.157 174.411 176.600 -0.054 0.000 1.012 516 K CA -1.888 54.333 56.287 -0.110 0.000 0.920 516 K CB 0.183 32.629 32.500 -0.091 0.000 1.033 516 K HN -0.211 nan 8.250 nan 0.000 0.478 517 P HA -0.004 nan 4.420 nan 0.000 0.269 517 P C -0.424 176.887 177.300 0.019 0.000 1.215 517 P CA -0.109 63.009 63.100 0.030 0.000 0.780 517 P CB 0.396 32.113 31.700 0.029 0.000 0.898 518 L N 1.731 122.985 121.223 0.052 0.000 2.653 518 L HA -0.087 4.258 4.340 0.009 0.000 0.288 518 L C 1.055 177.896 176.870 -0.047 0.000 1.243 518 L CA 1.007 55.836 54.840 -0.018 0.000 0.906 518 L CB -0.229 41.819 42.059 -0.019 0.000 1.154 518 L HN 0.510 nan 8.230 nan 0.000 0.498 519 E N 3.031 123.173 120.200 -0.096 0.000 2.210 519 E HA 0.418 4.773 4.350 0.009 0.000 0.266 519 E C -1.414 175.091 176.600 -0.159 0.000 0.883 519 E CA -0.772 55.570 56.400 -0.096 0.000 0.761 519 E CB 2.048 31.698 29.700 -0.084 0.000 1.156 519 E HN 0.297 nan 8.360 nan 0.000 0.412 520 V N 4.864 124.696 119.914 -0.137 0.000 2.465 520 V HA 0.443 4.568 4.120 0.009 0.000 0.279 520 V C 0.306 176.256 176.094 -0.239 0.000 1.045 520 V CA -0.251 61.940 62.300 -0.181 0.000 0.938 520 V CB 1.119 32.894 31.823 -0.079 0.000 0.986 520 V HN 0.695 nan 8.190 nan 0.000 0.467 521 R N 3.731 123.957 120.500 -0.458 0.000 2.912 521 R HA 0.743 5.088 4.340 0.009 0.000 0.262 521 R C -0.886 175.207 176.300 -0.345 0.000 1.057 521 R CA -1.051 54.768 56.100 -0.468 0.000 0.981 521 R CB 2.451 32.331 30.300 -0.700 0.000 1.201 521 R HN 0.582 nan 8.270 nan 0.000 0.484 522 R N -0.128 120.348 120.500 -0.039 0.000 2.621 522 R HA 0.477 4.823 4.340 0.009 0.000 0.292 522 R C -0.762 175.728 176.300 0.317 0.000 0.969 522 R CA -0.572 55.620 56.100 0.152 0.000 0.887 522 R CB 2.215 32.561 30.300 0.076 0.000 1.180 522 R HN 0.892 nan 8.270 nan 0.000 0.450 523 G N 2.222 111.243 108.800 0.369 0.000 3.429 523 G HA2 -0.222 3.743 3.960 0.009 0.000 0.605 523 G HA3 -0.222 3.743 3.960 0.009 0.000 0.605 523 G C -0.931 174.149 174.900 0.300 0.000 0.973 523 G CA -0.782 44.496 45.100 0.297 0.000 0.774 523 G HN 0.410 nan 8.290 nan 0.000 0.422 524 L N 4.249 125.555 121.223 0.139 0.000 2.401 524 L HA 0.525 4.870 4.340 0.009 0.000 0.283 524 L C 1.572 178.456 176.870 0.023 0.000 1.151 524 L CA -0.354 54.410 54.840 -0.127 0.000 0.942 524 L CB -0.308 41.582 42.059 -0.283 0.000 1.283 524 L HN 0.680 nan 8.230 nan 0.000 0.442 525 R N 2.928 123.481 120.500 0.088 0.000 3.405 525 R HA -0.290 4.055 4.340 0.009 0.000 0.258 525 R C 1.355 177.751 176.300 0.160 0.000 1.030 525 R CA 0.722 56.907 56.100 0.142 0.000 0.691 525 R CB -2.262 28.130 30.300 0.153 0.000 1.093 525 R HN 0.809 nan 8.270 nan 0.000 0.448 526 A N 0.518 123.429 122.820 0.152 0.000 1.884 526 A HA -0.318 4.008 4.320 0.009 0.000 0.219 526 A C 2.091 179.769 177.584 0.156 0.000 1.197 526 A CA 1.938 54.066 52.037 0.151 0.000 0.637 526 A CB -0.237 18.847 19.000 0.140 0.000 0.827 526 A HN 0.417 nan 8.150 nan 0.000 0.450 527 Q N -0.846 119.045 119.800 0.151 0.000 2.020 527 Q HA -0.104 4.242 4.340 0.009 0.000 0.202 527 Q C 2.286 178.406 176.000 0.200 0.000 0.982 527 Q CA 2.469 58.364 55.803 0.154 0.000 0.838 527 Q CB -1.032 27.785 28.738 0.131 0.000 0.899 527 Q HN 0.648 nan 8.270 nan 0.000 0.423 528 T N -0.631 114.069 114.554 0.243 0.000 2.746 528 T HA -0.149 4.206 4.350 0.009 0.000 0.267 528 T C 1.907 176.845 174.700 0.397 0.000 1.039 528 T CA 1.354 63.639 62.100 0.308 0.000 1.142 528 T CB -0.513 68.577 68.868 0.369 0.000 0.866 528 T HN 0.349 nan 8.240 nan 0.000 0.444 529 c N 1.535 120.346 118.600 0.351 0.000 2.432 529 c HA 0.230 4.805 4.570 0.009 0.000 0.282 529 c C 3.105 177.360 174.090 0.276 0.000 1.388 529 c CA 0.010 56.554 56.329 0.359 0.000 1.777 529 c CB -1.444 41.203 42.510 0.230 0.000 1.882 529 c HN 0.642 nan 8.230 nan 0.000 0.520 530 A N 0.070 123.020 122.820 0.216 0.000 1.930 530 A HA -0.136 4.189 4.320 0.009 0.000 0.217 530 A C 1.833 179.518 177.584 0.167 0.000 1.175 530 A CA 1.359 53.496 52.037 0.166 0.000 0.627 530 A CB -0.711 18.373 19.000 0.140 0.000 0.815 530 A HN 0.544 nan 8.150 nan 0.000 0.443 531 F N -0.559 119.379 119.950 -0.019 0.000 2.051 531 F HA -0.186 4.345 4.527 0.007 0.000 0.296 531 F C 1.979 177.731 175.800 -0.080 0.000 1.122 531 F CA 1.863 59.768 58.000 -0.158 0.000 1.201 531 F CB -0.669 37.959 39.000 -0.620 0.000 0.978 531 F HN 0.368 nan 8.300 nan 0.000 0.472 532 W N 0.815 122.080 121.300 -0.060 0.000 2.355 532 W HA -0.174 4.490 4.660 0.006 0.000 0.309 532 W C 2.229 178.680 176.519 -0.114 0.000 1.206 532 W CA 1.198 58.458 57.345 -0.142 0.000 1.284 532 W CB -0.709 28.809 29.460 0.097 0.000 1.145 532 W HN 0.008 nan 8.180 nan 0.000 0.502 533 N N -0.368 118.453 118.700 0.201 0.000 2.416 533 N HA 0.022 4.767 4.740 0.009 0.000 0.177 533 N C 1.460 176.996 175.510 0.044 0.000 1.036 533 N CA 0.930 54.042 53.050 0.104 0.000 0.901 533 N CB -0.206 38.344 38.487 0.105 0.000 0.976 533 N HN 0.268 nan 8.380 nan 0.000 0.444 534 R N -1.359 119.167 120.500 0.043 0.000 2.194 534 R HA 0.236 4.581 4.340 0.009 0.000 0.194 534 R C 1.421 177.735 176.300 0.023 0.000 0.985 534 R CA -0.046 56.079 56.100 0.041 0.000 1.104 534 R CB -0.164 30.186 30.300 0.083 0.000 1.092 534 R HN 0.028 nan 8.270 nan 0.000 0.555 535 F N 1.566 121.432 119.950 -0.140 0.000 2.147 535 F HA 0.098 4.630 4.527 0.009 0.000 0.291 535 F C 1.815 177.457 175.800 -0.263 0.000 1.093 535 F CA 1.064 58.957 58.000 -0.178 0.000 1.263 535 F CB -0.236 38.670 39.000 -0.157 0.000 1.036 535 F HN -0.150 nan 8.300 nan 0.000 0.481 536 L N 0.509 121.354 121.223 -0.631 0.000 2.051 536 L HA -0.214 4.131 4.340 0.009 0.000 0.214 536 L C -0.482 176.124 176.870 -0.441 0.000 1.076 536 L CA 1.834 56.285 54.840 -0.649 0.000 0.758 536 L CB -1.964 39.772 42.059 -0.538 0.000 0.890 536 L HN 0.171 nan 8.230 nan 0.000 0.433 537 P HA -0.166 nan 4.420 nan 0.000 0.216 537 P C 1.378 178.541 177.300 -0.229 0.000 1.153 537 P CA 1.238 64.223 63.100 -0.192 0.000 0.848 537 P CB -0.002 31.630 31.700 -0.113 0.000 0.787 538 K N -0.855 119.371 120.400 -0.289 0.000 2.280 538 K HA -0.073 4.252 4.320 0.009 0.000 0.202 538 K C 1.046 177.445 176.600 -0.334 0.000 1.047 538 K CA 0.576 56.709 56.287 -0.256 0.000 0.942 538 K CB -0.589 31.795 32.500 -0.194 0.000 0.739 538 K HN 0.082 nan 8.250 nan 0.000 0.457 539 L N 2.366 123.273 121.223 -0.527 0.000 2.855 539 L HA 0.021 4.366 4.340 0.009 0.000 0.245 539 L C 0.736 177.461 176.870 -0.242 0.000 1.276 539 L CA 0.367 54.944 54.840 -0.439 0.000 1.118 539 L CB -0.344 41.356 42.059 -0.600 0.000 1.444 539 L HN 0.007 nan 8.230 nan 0.000 0.440 540 L N -3.264 117.847 121.223 -0.187 0.000 2.599 540 L HA 0.335 4.680 4.340 0.009 0.000 0.230 540 L C 0.868 177.688 176.870 -0.083 0.000 1.141 540 L CA 0.285 55.054 54.840 -0.119 0.000 0.877 540 L CB -1.230 40.769 42.059 -0.101 0.000 1.009 540 L HN 0.132 nan 8.230 nan 0.000 0.447 541 S N 0.000 115.651 115.700 -0.081 0.000 2.498 541 S HA 0.000 4.475 4.470 0.009 0.000 0.327 541 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 541 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517