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 2wvx_1_D DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL XGSQSTFELS TGNTYPAIAR PWGXNFWTPQ TGKXGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIXP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE XTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANXNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY XFTDTGFWDT FRCLFPLLNL XYPSVNKEXQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCXVGNNS ASILVDAYXK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAXNYK NLFDKESKLX RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLXGGKEX FVTXXDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREX TVXNXGNYAH GNQPIQHXIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVXD RXYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VXGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSXSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDXSNRPNL NRGTKEEDXP YSFSKE 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.045 176.600 -0.925 0.000 0.988 20 K CA 0.000 55.908 56.287 -0.631 0.000 0.838 20 K CB 0.000 32.070 32.500 -0.716 0.000 1.064 21 D N 0.942 120.819 120.400 -0.871 0.000 2.278 21 D HA 0.648 5.288 4.640 -0.000 0.000 0.245 21 D C 0.270 176.066 176.300 -0.839 0.000 1.052 21 D CA -0.341 53.250 54.000 -0.682 0.000 0.834 21 D CB 0.782 41.342 40.800 -0.400 0.000 1.194 21 D HN 0.553 nan 8.370 nan 0.000 0.481 22 W N 2.076 123.241 121.300 -0.224 0.000 2.940 22 W HA 0.019 4.679 4.660 -0.000 0.000 0.297 22 W C 1.806 178.167 176.519 -0.264 0.000 1.149 22 W CA 0.453 57.594 57.345 -0.339 0.000 1.564 22 W CB -0.157 28.992 29.460 -0.519 0.000 1.010 22 W HN 0.561 nan 8.180 nan 0.000 0.578 23 T N -0.729 113.838 114.554 0.022 0.000 2.915 23 T HA -0.275 4.075 4.350 -0.000 0.000 0.269 23 T C 1.724 176.381 174.700 -0.072 0.000 1.071 23 T CA 1.586 63.704 62.100 0.030 0.000 1.132 23 T CB -0.385 68.576 68.868 0.155 0.000 0.878 23 T HN 0.348 nan 8.240 nan 0.000 0.479 24 Q N 0.059 119.721 119.800 -0.231 0.000 2.248 24 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 24 Q C 1.346 177.180 176.000 -0.277 0.000 0.984 24 Q CA 1.543 57.151 55.803 -0.324 0.000 0.875 24 Q CB -0.821 27.593 28.738 -0.541 0.000 0.910 24 Q HN 0.648 nan 8.270 nan 0.000 0.433 25 Y N 0.465 120.783 120.300 0.031 0.000 2.482 25 Y HA 0.256 4.806 4.550 -0.000 0.000 0.270 25 Y C 0.548 176.515 175.900 0.111 0.000 1.152 25 Y CA -0.608 57.569 58.100 0.129 0.000 1.292 25 Y CB 0.657 39.288 38.460 0.284 0.000 1.070 25 Y HN -0.114 nan 8.280 nan 0.000 0.528 26 V N 2.099 122.076 119.914 0.105 0.000 2.461 26 V HA 0.101 4.221 4.120 -0.000 0.000 0.275 26 V C -0.113 175.892 176.094 -0.148 0.000 1.047 26 V CA -0.616 61.654 62.300 -0.050 0.000 0.955 26 V CB 0.924 32.569 31.823 -0.297 0.000 0.988 26 V HN 0.218 nan 8.190 nan 0.000 0.471 27 N N 6.909 125.546 118.700 -0.105 0.000 2.621 27 N HA 0.402 5.142 4.740 -0.000 0.000 0.237 27 N C -1.869 173.569 175.510 -0.120 0.000 0.997 27 N CA -2.138 50.858 53.050 -0.089 0.000 0.918 27 N CB 1.909 40.390 38.487 -0.010 0.000 1.122 27 N HN 0.221 nan 8.380 nan 0.000 0.510 28 P HA -0.006 nan 4.420 nan 0.000 0.228 28 P C 0.094 177.403 177.300 0.014 0.000 1.151 28 P CA 0.838 63.850 63.100 -0.146 0.000 0.770 28 P CB 0.333 31.898 31.700 -0.224 0.000 0.786 32 S N -0.314 115.532 115.700 0.244 0.000 2.522 32 S HA 0.072 4.542 4.470 -0.000 0.000 0.227 32 S C 1.178 175.980 174.600 0.337 0.000 0.986 32 S CA 0.802 59.217 58.200 0.358 0.000 0.929 32 S CB 0.112 63.645 63.200 0.555 0.000 0.769 32 S HN 0.366 nan 8.310 nan 0.000 0.529 33 Q N 1.570 121.502 119.800 0.220 0.000 3.006 33 Q HA 0.454 4.794 4.340 -0.000 0.000 0.260 33 Q C -1.097 175.004 176.000 0.168 0.000 1.356 33 Q CA -0.256 55.658 55.803 0.186 0.000 1.070 33 Q CB -0.084 28.681 28.738 0.044 0.000 1.507 33 Q HN 0.323 nan 8.270 nan 0.000 0.568 34 S N 0.541 116.371 115.700 0.218 0.000 2.541 34 S HA 0.657 5.127 4.470 -0.000 0.000 0.280 34 S C -0.807 173.924 174.600 0.219 0.000 1.112 34 S CA -0.587 57.751 58.200 0.229 0.000 0.925 34 S CB 1.854 65.231 63.200 0.295 0.000 1.067 34 S HN 0.625 nan 8.310 nan 0.000 0.479 35 T N -0.426 114.207 114.554 0.130 0.000 2.887 35 T HA 0.537 4.886 4.350 -0.000 0.000 0.292 35 T C 0.683 175.365 174.700 -0.030 0.000 1.087 35 T CA -0.724 61.349 62.100 -0.046 0.000 1.009 35 T CB 0.619 69.460 68.868 -0.045 0.000 1.203 35 T HN 0.372 nan 8.240 nan 0.000 0.518 36 F N 1.338 121.035 119.950 -0.422 0.000 2.161 36 F HA -0.014 4.512 4.527 -0.000 0.000 0.300 36 F C 1.984 177.760 175.800 -0.040 0.000 1.089 36 F CA 1.728 59.571 58.000 -0.261 0.000 1.282 36 F CB -0.150 38.602 39.000 -0.412 0.000 1.010 36 F HN 0.676 nan 8.300 nan 0.000 0.485 37 E N -0.168 120.072 120.200 0.065 0.000 2.250 37 E HA 0.140 4.490 4.350 -0.000 0.000 0.192 37 E C -0.391 176.233 176.600 0.040 0.000 0.986 37 E CA 0.516 56.949 56.400 0.055 0.000 0.849 37 E CB 0.267 30.028 29.700 0.101 0.000 0.797 37 E HN 0.267 nan 8.360 nan 0.000 0.482 38 L N 0.044 121.289 121.223 0.036 0.000 2.541 38 L HA 0.364 4.703 4.340 -0.000 0.000 0.266 38 L C -0.957 175.962 176.870 0.082 0.000 0.966 38 L CA -0.421 54.461 54.840 0.069 0.000 0.871 38 L CB 1.974 44.065 42.059 0.052 0.000 1.232 38 L HN -0.164 nan 8.230 nan 0.000 0.408 39 S N 1.660 117.431 115.700 0.118 0.000 2.545 39 S HA 0.454 4.924 4.470 -0.000 0.000 0.275 39 S C 0.793 175.477 174.600 0.140 0.000 1.299 39 S CA 0.300 58.584 58.200 0.141 0.000 1.048 39 S CB 0.633 63.944 63.200 0.184 0.000 0.938 39 S HN 0.763 nan 8.310 nan 0.000 0.496 40 T N 1.199 115.841 114.554 0.147 0.000 3.293 40 T HA 0.570 4.920 4.350 -0.000 0.000 0.276 40 T C 1.007 175.846 174.700 0.231 0.000 1.003 40 T CA 0.166 62.358 62.100 0.153 0.000 0.916 40 T CB 0.052 68.989 68.868 0.115 0.000 1.134 40 T HN 1.130 nan 8.240 nan 0.000 0.530 41 G N 1.559 110.461 108.800 0.170 0.000 3.134 41 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.195 41 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.195 41 G C 0.199 175.109 174.900 0.016 0.000 1.054 41 G CA -0.231 44.907 45.100 0.064 0.000 0.828 41 G HN 0.418 nan 8.290 nan 0.000 0.462 42 N N 1.484 120.236 118.700 0.087 0.000 2.725 42 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 42 N C 0.387 175.869 175.510 -0.045 0.000 1.031 42 N CA 1.959 55.012 53.050 0.005 0.000 0.720 42 N CB -1.529 36.915 38.487 -0.072 0.000 0.930 42 N HN 1.407 nan 8.380 nan 0.000 0.543 43 T N -2.494 112.083 114.554 0.038 0.000 2.948 43 T HA 0.762 5.112 4.350 -0.000 0.000 0.285 43 T C -0.019 174.752 174.700 0.119 0.000 1.019 43 T CA -0.767 61.331 62.100 -0.003 0.000 1.013 43 T CB 2.055 70.924 68.868 0.001 0.000 1.117 43 T HN 0.237 nan 8.240 nan 0.000 0.533 44 Y N -1.917 118.429 120.300 0.076 0.000 2.602 44 Y HA 0.776 5.326 4.550 -0.000 0.000 0.342 44 Y C -3.028 172.856 175.900 -0.027 0.000 1.029 44 Y CA -3.635 54.493 58.100 0.046 0.000 1.080 44 Y CB 0.339 38.820 38.460 0.036 0.000 1.284 44 Y HN 0.372 nan 8.280 nan 0.000 0.485 45 P HA 0.247 nan 4.420 nan 0.000 0.277 45 P C -0.782 176.525 177.300 0.013 0.000 1.354 45 P CA 0.053 63.096 63.100 -0.094 0.000 0.891 45 P CB 0.453 31.987 31.700 -0.276 0.000 1.058 46 A N 6.182 128.975 122.820 -0.044 0.000 2.437 46 A HA 0.337 4.657 4.320 -0.000 0.000 0.303 46 A C 0.298 177.829 177.584 -0.087 0.000 1.324 46 A CA -0.400 51.569 52.037 -0.114 0.000 0.983 46 A CB -0.532 18.133 19.000 -0.558 0.000 1.142 46 A HN 0.369 nan 8.150 nan 0.000 0.541 47 I N 2.258 122.819 120.570 -0.014 0.000 2.301 47 I HA 0.577 4.747 4.170 -0.000 0.000 0.292 47 I C 0.535 176.711 176.117 0.099 0.000 1.046 47 I CA 0.080 61.393 61.300 0.021 0.000 1.282 47 I CB -0.278 37.730 38.000 0.013 0.000 1.409 47 I HN 0.696 nan 8.210 nan 0.000 0.484 48 A N 6.999 129.906 122.820 0.144 0.000 2.597 48 A HA 0.696 5.016 4.320 -0.000 0.000 0.292 48 A C -0.463 177.358 177.584 0.395 0.000 1.057 48 A CA -0.894 51.258 52.037 0.192 0.000 0.674 48 A CB 1.624 20.477 19.000 -0.245 0.000 1.278 48 A HN 0.454 nan 8.150 nan 0.000 0.416 49 R N 0.045 120.703 120.500 0.264 0.000 2.637 49 R HA 0.453 4.792 4.340 -0.000 0.000 0.269 49 R C -2.626 173.575 176.300 -0.166 0.000 1.089 49 R CA -2.032 54.091 56.100 0.037 0.000 1.177 49 R CB -0.563 29.739 30.300 0.003 0.000 1.091 49 R HN 0.425 nan 8.270 nan 0.000 0.540 50 P HA -0.100 nan 4.420 nan 0.000 0.262 50 P C -0.267 176.855 177.300 -0.296 0.000 1.182 50 P CA 0.366 62.862 63.100 -1.007 0.000 0.761 50 P CB 0.202 31.084 31.700 -1.363 0.000 0.795 51 W N 0.279 121.591 121.300 0.020 0.000 4.973 51 W HA -0.170 4.490 4.660 -0.000 0.000 0.350 51 W C 0.822 177.447 176.519 0.177 0.000 1.280 51 W CA 0.861 58.291 57.345 0.142 0.000 0.854 51 W CB -2.439 27.129 29.460 0.181 0.000 2.367 51 W HN 0.472 nan 8.180 nan 0.000 1.511 55 F N 0.514 120.303 119.950 -0.268 0.000 2.403 55 F HA 0.593 5.120 4.527 -0.000 0.000 0.326 55 F C 0.151 175.731 175.800 -0.367 0.000 1.081 55 F CA -0.815 57.112 58.000 -0.122 0.000 1.041 55 F CB 0.717 39.692 39.000 -0.041 0.000 1.234 55 F HN 0.325 nan 8.300 nan 0.000 0.503 56 W N 0.160 121.522 121.300 0.103 0.000 2.736 56 W HA 0.577 5.237 4.660 -0.000 0.000 0.335 56 W C -0.290 176.196 176.519 -0.055 0.000 1.059 56 W CA -0.556 56.775 57.345 -0.023 0.000 1.226 56 W CB 2.120 31.544 29.460 -0.060 0.000 1.416 56 W HN 0.390 nan 8.180 nan 0.000 0.505 57 T N 3.838 118.432 114.554 0.068 0.000 2.923 57 T HA 0.472 4.822 4.350 -0.000 0.000 0.311 57 T C -2.835 171.789 174.700 -0.127 0.000 1.183 57 T CA -2.103 59.945 62.100 -0.086 0.000 1.020 57 T CB 1.412 70.222 68.868 -0.098 0.000 1.165 57 T HN 0.079 nan 8.240 nan 0.000 0.482 58 P HA 0.135 nan 4.420 nan 0.000 0.268 58 P C -1.136 176.086 177.300 -0.130 0.000 1.205 58 P CA -0.094 62.810 63.100 -0.326 0.000 0.771 58 P CB 0.480 31.975 31.700 -0.343 0.000 0.858 59 Q N 1.410 121.072 119.800 -0.230 0.000 2.357 59 Q HA 0.261 4.601 4.340 -0.000 0.000 0.266 59 Q C 0.664 176.575 176.000 -0.148 0.000 1.021 59 Q CA -0.359 55.373 55.803 -0.119 0.000 0.784 59 Q CB 1.032 29.698 28.738 -0.119 0.000 1.243 59 Q HN 0.514 nan 8.270 nan 0.000 0.465 60 T N -0.239 114.261 114.554 -0.090 0.000 3.039 60 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 60 T C 0.909 175.550 174.700 -0.098 0.000 1.052 60 T CA 0.411 62.429 62.100 -0.136 0.000 1.125 60 T CB 0.198 68.949 68.868 -0.194 0.000 0.908 60 T HN 0.503 nan 8.240 nan 0.000 0.473 61 G N 1.611 110.382 108.800 -0.048 0.000 2.572 61 G HA2 0.444 4.404 3.960 -0.000 0.000 0.261 61 G HA3 0.444 4.404 3.960 -0.000 0.000 0.261 61 G C -0.204 174.663 174.900 -0.055 0.000 1.197 61 G CA -0.670 44.415 45.100 -0.026 0.000 0.870 61 G HN 0.355 nan 8.290 nan 0.000 0.548 65 D N 1.441 121.864 120.400 0.039 0.000 2.348 65 D HA 0.417 5.057 4.640 -0.000 0.000 0.253 65 D C 1.704 178.055 176.300 0.085 0.000 1.161 65 D CA 0.494 54.552 54.000 0.096 0.000 0.876 65 D CB 1.446 42.305 40.800 0.098 0.000 1.160 65 D HN 0.052 nan 8.370 nan 0.000 0.459 66 G N 3.660 112.506 108.800 0.077 0.000 2.470 66 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 66 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 66 G C 0.648 175.351 174.900 -0.329 0.000 1.121 66 G CA -0.179 44.798 45.100 -0.206 0.000 0.766 66 G HN 0.577 nan 8.290 nan 0.000 0.553 67 W N 2.189 123.432 121.300 -0.095 0.000 2.072 67 W HA 0.219 4.879 4.660 -0.000 0.000 0.413 67 W C 1.330 177.837 176.519 -0.021 0.000 0.865 67 W CA -0.450 56.866 57.345 -0.049 0.000 1.579 67 W CB -0.040 29.387 29.460 -0.054 0.000 1.720 67 W HN 0.510 nan 8.180 nan 0.000 0.301 68 Q N 1.299 121.140 119.800 0.069 0.000 2.331 68 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 68 Q C -0.093 175.977 176.000 0.116 0.000 0.944 68 Q CA 0.908 56.729 55.803 0.030 0.000 0.892 68 Q CB 0.298 28.969 28.738 -0.111 0.000 0.983 68 Q HN 0.404 nan 8.270 nan 0.000 0.482 69 Y N 1.347 121.682 120.300 0.059 0.000 2.396 69 Y HA 0.398 4.948 4.550 -0.000 0.000 0.332 69 Y C -1.376 174.642 175.900 0.198 0.000 1.034 69 Y CA -0.627 57.537 58.100 0.106 0.000 1.057 69 Y CB 2.129 40.654 38.460 0.109 0.000 1.220 69 Y HN 0.094 nan 8.280 nan 0.000 0.440 70 T N 1.903 116.388 114.554 -0.114 0.000 2.876 70 T HA 0.188 4.538 4.350 -0.000 0.000 0.289 70 T C 0.049 174.715 174.700 -0.057 0.000 1.014 70 T CA -0.582 61.561 62.100 0.073 0.000 0.986 70 T CB 1.299 70.236 68.868 0.114 0.000 1.021 70 T HN 0.767 nan 8.240 nan 0.000 0.458 71 Y N 2.677 123.023 120.300 0.078 0.000 2.274 71 Y HA -0.087 4.463 4.550 -0.000 0.000 0.290 71 Y C 2.601 178.600 175.900 0.165 0.000 1.145 71 Y CA 2.186 60.370 58.100 0.139 0.000 1.203 71 Y CB -0.137 38.376 38.460 0.089 0.000 0.984 71 Y HN 0.869 nan 8.280 nan 0.000 0.533 72 T N -1.567 113.074 114.554 0.146 0.000 3.129 72 T HA 0.361 4.711 4.350 -0.000 0.000 0.251 72 T C 0.744 175.387 174.700 -0.095 0.000 1.117 72 T CA 0.142 62.270 62.100 0.046 0.000 1.034 72 T CB -0.554 68.358 68.868 0.073 0.000 0.968 72 T HN 0.332 nan 8.240 nan 0.000 0.526 73 A N 1.732 124.468 122.820 -0.141 0.000 2.425 73 A HA 0.449 4.769 4.320 -0.000 0.000 0.249 73 A C 1.105 178.485 177.584 -0.339 0.000 1.084 73 A CA -0.642 51.269 52.037 -0.209 0.000 0.781 73 A CB 0.207 19.101 19.000 -0.177 0.000 1.019 73 A HN 0.309 nan 8.150 nan 0.000 0.490 74 N N 0.441 118.856 118.700 -0.476 0.000 2.392 74 N HA 0.064 4.804 4.740 -0.000 0.000 0.177 74 N C -0.324 174.788 175.510 -0.664 0.000 1.066 74 N CA 0.810 53.346 53.050 -0.856 0.000 0.895 74 N CB 0.286 37.882 38.487 -1.486 0.000 0.988 74 N HN 0.637 nan 8.380 nan 0.000 0.457 75 K N 0.290 120.512 120.400 -0.296 0.000 2.426 75 K HA 0.501 4.821 4.320 -0.000 0.000 0.251 75 K C -0.785 175.772 176.600 -0.072 0.000 0.941 75 K CA -0.520 55.686 56.287 -0.135 0.000 0.808 75 K CB 2.706 35.036 32.500 -0.283 0.000 1.265 75 K HN -0.167 nan 8.250 nan 0.000 0.432 76 I N 2.770 123.259 120.570 -0.135 0.000 2.412 76 I HA 0.299 4.469 4.170 -0.000 0.000 0.296 76 I C 1.150 177.132 176.117 -0.224 0.000 0.987 76 I CA -0.394 60.724 61.300 -0.303 0.000 1.180 76 I CB 1.351 39.037 38.000 -0.523 0.000 1.340 76 I HN 0.697 nan 8.210 nan 0.000 0.455 77 R N 3.970 124.329 120.500 -0.235 0.000 2.509 77 R HA 0.506 4.846 4.340 -0.000 0.000 0.297 77 R C 0.120 176.314 176.300 -0.177 0.000 0.951 77 R CA -0.236 55.764 56.100 -0.168 0.000 1.103 77 R CB 0.928 31.141 30.300 -0.145 0.000 1.283 77 R HN 0.714 nan 8.270 nan 0.000 0.534 78 G N 0.564 109.191 108.800 -0.288 0.000 2.489 78 G HA2 0.424 4.384 3.960 -0.000 0.000 0.291 78 G HA3 0.424 4.384 3.960 -0.000 0.000 0.291 78 G C -1.897 172.738 174.900 -0.441 0.000 1.487 78 G CA -0.872 44.105 45.100 -0.205 0.000 0.795 78 G HN 0.041 nan 8.290 nan 0.000 0.513 79 F N 1.042 121.060 119.950 0.113 0.000 2.402 79 F HA 0.619 5.145 4.527 -0.000 0.000 0.355 79 F C 0.543 176.489 175.800 0.244 0.000 1.123 79 F CA -0.670 57.467 58.000 0.229 0.000 1.021 79 F CB 2.356 41.640 39.000 0.474 0.000 1.160 79 F HN 0.346 nan 8.300 nan 0.000 0.451 80 K N 3.343 123.840 120.400 0.162 0.000 2.270 80 K HA 0.321 4.641 4.320 -0.000 0.000 0.255 80 K C -0.796 175.346 176.600 -0.764 0.000 0.936 80 K CA -0.721 55.414 56.287 -0.254 0.000 0.809 80 K CB 1.613 33.971 32.500 -0.237 0.000 1.131 80 K HN 0.706 nan 8.250 nan 0.000 0.427 81 Q N 2.483 121.334 119.800 -1.582 0.000 2.296 81 Q HA 0.100 4.440 4.340 -0.000 0.000 0.262 81 Q C -1.094 174.271 176.000 -1.058 0.000 0.981 81 Q CA 0.290 54.954 55.803 -1.899 0.000 0.905 81 Q CB 1.209 28.747 28.738 -2.000 0.000 1.186 81 Q HN 0.651 nan 8.270 nan 0.000 0.399 82 T N 2.202 116.217 114.554 -0.899 0.000 2.906 82 T HA 0.401 4.751 4.350 -0.000 0.000 0.295 82 T C -0.799 173.401 174.700 -0.833 0.000 1.075 82 T CA -0.474 61.230 62.100 -0.661 0.000 1.005 82 T CB 0.983 69.535 68.868 -0.526 0.000 1.136 82 T HN 0.785 nan 8.240 nan 0.000 0.498 83 H N 0.435 119.305 119.070 -0.332 0.000 2.916 83 H HA 0.359 4.915 4.556 -0.000 0.000 0.262 83 H C 0.452 175.783 175.328 0.005 0.000 1.178 83 H CA -0.363 55.491 56.048 -0.323 0.000 1.090 83 H CB 0.640 29.927 29.762 -0.791 0.000 1.657 83 H HN 0.432 nan 8.280 nan 0.000 0.601 84 Q N 3.276 123.157 119.800 0.136 0.000 2.297 84 Q HA 0.057 4.396 4.340 -0.000 0.000 0.267 84 Q C -1.708 174.560 176.000 0.445 0.000 1.006 84 Q CA -1.641 54.302 55.803 0.234 0.000 0.896 84 Q CB 1.155 29.934 28.738 0.068 0.000 1.186 84 Q HN 0.183 nan 8.270 nan 0.000 0.392 85 P HA 0.038 nan 4.420 nan 0.000 0.238 85 P C -0.594 176.693 177.300 -0.022 0.000 1.183 85 P CA 0.443 63.549 63.100 0.010 0.000 0.813 85 P CB 0.574 32.352 31.700 0.130 0.000 0.944 86 S N -2.140 113.579 115.700 0.032 0.000 2.578 86 S HA 0.380 4.849 4.470 -0.000 0.000 0.272 86 S C -2.708 171.730 174.600 -0.270 0.000 1.145 86 S CA -1.062 57.094 58.200 -0.073 0.000 0.835 86 S CB 1.424 64.666 63.200 0.071 0.000 1.104 86 S HN -0.261 nan 8.310 nan 0.000 0.458 87 P HA 0.016 nan 4.420 nan 0.000 0.221 87 P C 0.722 177.570 177.300 -0.753 0.000 1.150 87 P CA 1.014 63.499 63.100 -1.024 0.000 0.800 87 P CB -0.245 30.137 31.700 -2.197 0.000 0.787 88 W N -0.054 121.113 121.300 -0.221 0.000 2.407 88 W HA -0.018 4.642 4.660 -0.000 0.000 0.305 88 W C 2.355 178.788 176.519 -0.144 0.000 1.196 88 W CA -0.045 57.230 57.345 -0.116 0.000 1.311 88 W CB -1.206 28.204 29.460 -0.083 0.000 1.135 88 W HN -0.211 nan 8.180 nan 0.000 0.514 89 I N 0.075 120.631 120.570 -0.023 0.000 2.315 89 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 89 I C 1.371 177.454 176.117 -0.056 0.000 1.117 89 I CA 1.374 62.590 61.300 -0.139 0.000 1.404 89 I CB -1.479 36.343 38.000 -0.296 0.000 1.071 89 I HN 0.232 nan 8.210 nan 0.000 0.419 90 N N 0.691 119.359 118.700 -0.054 0.000 5.833 90 N HA -0.207 4.533 4.740 -0.000 0.000 0.357 90 N C -0.364 175.174 175.510 0.046 0.000 0.922 90 N CA 1.062 54.095 53.050 -0.028 0.000 1.099 90 N CB -0.530 37.953 38.487 -0.006 0.000 0.862 90 N HN 0.203 nan 8.380 nan 0.000 0.427 91 D N -0.933 119.508 120.400 0.069 0.000 2.450 91 D HA 0.740 5.380 4.640 -0.000 0.000 0.238 91 D C -0.949 175.475 176.300 0.206 0.000 1.020 91 D CA 0.013 54.071 54.000 0.096 0.000 1.010 91 D CB 1.063 41.864 40.800 0.001 0.000 1.342 91 D HN 0.450 nan 8.370 nan 0.000 0.530 92 Y N -2.443 117.932 120.300 0.125 0.000 2.624 92 Y HA 0.499 5.048 4.550 -0.000 0.000 0.334 92 Y C 0.214 176.351 175.900 0.394 0.000 1.155 92 Y CA -1.018 57.187 58.100 0.176 0.000 1.046 92 Y CB 0.944 39.393 38.460 -0.019 0.000 1.316 92 Y HN 0.526 nan 8.280 nan 0.000 0.457 93 G N 2.150 111.316 108.800 0.610 0.000 2.333 93 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.296 93 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.296 93 G C -0.836 174.186 174.900 0.203 0.000 1.059 93 G CA 0.344 45.736 45.100 0.486 0.000 1.050 93 G HN 1.030 nan 8.290 nan 0.000 0.508 94 Q N -0.855 118.954 119.800 0.014 0.000 2.321 94 Q HA 0.830 5.170 4.340 -0.000 0.000 0.270 94 Q C -0.380 175.217 176.000 -0.671 0.000 1.032 94 Q CA -1.268 54.285 55.803 -0.416 0.000 0.784 94 Q CB 2.050 30.493 28.738 -0.492 0.000 1.264 94 Q HN 1.043 nan 8.270 nan 0.000 0.448 95 F N -0.826 118.602 119.950 -0.871 0.000 2.711 95 F HA 0.854 5.381 4.527 -0.000 0.000 0.313 95 F C -1.283 174.251 175.800 -0.443 0.000 1.141 95 F CA -0.771 56.787 58.000 -0.736 0.000 0.941 95 F CB 1.467 40.124 39.000 -0.571 0.000 1.349 95 F HN 0.699 nan 8.300 nan 0.000 0.464 96 S N 1.523 117.218 115.700 -0.009 0.000 2.618 96 S HA 0.842 5.312 4.470 -0.000 0.000 0.277 96 S C -1.512 173.204 174.600 0.193 0.000 1.138 96 S CA -0.659 57.562 58.200 0.036 0.000 0.844 96 S CB 2.008 65.305 63.200 0.162 0.000 1.127 96 S HN 1.214 nan 8.310 nan 0.000 0.474 100 I N -1.163 119.304 120.570 -0.173 0.000 3.195 100 I HA 0.913 5.083 4.170 -0.000 0.000 0.313 100 I C -0.852 175.218 176.117 -0.079 0.000 1.237 100 I CA -1.304 59.672 61.300 -0.539 0.000 0.963 100 I CB 2.123 39.847 38.000 -0.460 0.000 1.278 100 I HN 0.288 nan 8.210 nan 0.000 0.460 101 V N -0.426 119.462 119.914 -0.042 0.000 3.130 101 V HA 1.056 5.176 4.120 -0.000 0.000 0.310 101 V C 0.274 176.498 176.094 0.217 0.000 1.158 101 V CA 0.353 62.757 62.300 0.173 0.000 1.029 101 V CB 0.687 32.638 31.823 0.213 0.000 1.057 101 V HN 1.904 nan 8.190 nan 0.000 0.436 102 G N 1.216 110.152 108.800 0.227 0.000 2.936 102 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.237 102 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.237 102 G C -0.373 174.609 174.900 0.137 0.000 1.403 102 G CA 0.119 45.319 45.100 0.166 0.000 1.011 102 G HN 1.071 nan 8.290 nan 0.000 0.568 103 Q N 2.284 122.099 119.800 0.025 0.000 2.259 103 Q HA 0.466 4.806 4.340 -0.000 0.000 0.246 103 Q C -2.311 173.511 176.000 -0.297 0.000 0.920 103 Q CA -1.464 54.271 55.803 -0.114 0.000 0.895 103 Q CB 1.561 30.238 28.738 -0.102 0.000 1.220 103 Q HN 0.454 nan 8.270 nan 0.000 0.439 104 P HA 0.082 nan 4.420 nan 0.000 0.280 104 P C -0.685 176.375 177.300 -0.400 0.000 1.386 104 P CA -0.171 62.349 63.100 -0.966 0.000 0.899 104 P CB 0.259 31.129 31.700 -1.384 0.000 1.098 105 V N 1.331 121.100 119.914 -0.240 0.000 2.540 105 V HA 0.466 4.586 4.120 -0.000 0.000 0.302 105 V C 0.248 176.331 176.094 -0.018 0.000 1.035 105 V CA -0.690 61.554 62.300 -0.094 0.000 0.873 105 V CB 1.719 33.505 31.823 -0.063 0.000 0.992 105 V HN 0.277 nan 8.190 nan 0.000 0.428 106 F N 2.422 122.297 119.950 -0.124 0.000 2.582 106 F HA 0.337 4.863 4.527 -0.000 0.000 0.290 106 F C 1.238 176.983 175.800 -0.091 0.000 1.115 106 F CA 0.229 58.165 58.000 -0.108 0.000 1.445 106 F CB 0.145 39.068 39.000 -0.127 0.000 1.126 106 F HN 0.834 nan 8.300 nan 0.000 0.574 107 D N 1.311 121.685 120.400 -0.043 0.000 2.583 107 D HA -0.134 4.506 4.640 -0.000 0.000 0.232 107 D C 1.343 177.519 176.300 -0.207 0.000 1.128 107 D CA 0.717 54.653 54.000 -0.107 0.000 0.859 107 D CB 0.634 41.413 40.800 -0.036 0.000 1.169 107 D HN 0.616 nan 8.370 nan 0.000 0.481 108 E N 2.183 122.244 120.200 -0.232 0.000 2.347 108 E HA -0.178 4.171 4.350 -0.000 0.000 0.196 108 E C 0.974 177.490 176.600 -0.140 0.000 1.008 108 E CA 0.853 57.119 56.400 -0.223 0.000 0.852 108 E CB 0.035 29.602 29.700 -0.222 0.000 0.783 108 E HN 0.644 nan 8.360 nan 0.000 0.505 109 E N 0.754 120.891 120.200 -0.105 0.000 2.075 109 E HA -0.069 4.280 4.350 -0.000 0.000 0.190 109 E C 2.142 178.710 176.600 -0.053 0.000 0.969 109 E CA 0.631 56.985 56.400 -0.077 0.000 0.815 109 E CB 0.201 29.863 29.700 -0.062 0.000 0.776 109 E HN 0.025 nan 8.360 nan 0.000 0.457 110 K N 1.016 121.389 120.400 -0.045 0.000 2.209 110 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 110 K C 2.056 178.662 176.600 0.010 0.000 1.048 110 K CA 1.529 57.806 56.287 -0.018 0.000 0.940 110 K CB -0.462 32.027 32.500 -0.019 0.000 0.729 110 K HN 0.336 nan 8.250 nan 0.000 0.451 111 R N -0.012 120.481 120.500 -0.012 0.000 2.297 111 R HA 0.296 4.636 4.340 -0.000 0.000 0.197 111 R C 1.014 177.395 176.300 0.136 0.000 0.943 111 R CA 0.503 56.632 56.100 0.048 0.000 1.038 111 R CB -0.130 30.141 30.300 -0.049 0.000 0.957 111 R HN 0.176 nan 8.270 nan 0.000 0.484 112 A N 1.446 124.286 122.820 0.034 0.000 2.406 112 A HA 0.306 4.626 4.320 -0.000 0.000 0.243 112 A C -0.200 177.389 177.584 0.007 0.000 1.082 112 A CA 0.067 52.104 52.037 -0.000 0.000 0.786 112 A CB 0.729 19.686 19.000 -0.072 0.000 1.029 112 A HN 0.377 nan 8.150 nan 0.000 0.495 113 S N 0.065 115.758 115.700 -0.012 0.000 2.538 113 S HA 0.501 4.971 4.470 -0.000 0.000 0.288 113 S C -0.912 173.729 174.600 0.068 0.000 1.108 113 S CA -0.570 57.610 58.200 -0.033 0.000 0.971 113 S CB 0.298 63.450 63.200 -0.081 0.000 1.041 113 S HN 0.583 nan 8.310 nan 0.000 0.483 114 W N 4.274 125.558 121.300 -0.027 0.000 2.364 114 W HA 0.303 4.963 4.660 -0.000 0.000 0.343 114 W C 0.228 176.835 176.519 0.146 0.000 1.237 114 W CA 0.716 58.077 57.345 0.027 0.000 1.319 114 W CB 0.259 29.696 29.460 -0.039 0.000 1.179 114 W HN 0.589 nan 8.180 nan 0.000 0.578 115 F N 0.812 120.859 119.950 0.161 0.000 2.789 115 F HA 0.893 5.420 4.527 -0.000 0.000 0.319 115 F C -1.086 174.769 175.800 0.092 0.000 1.168 115 F CA -1.974 56.097 58.000 0.119 0.000 0.934 115 F CB 0.586 39.608 39.000 0.037 0.000 1.375 115 F HN 0.415 nan 8.300 nan 0.000 0.480 116 A N -0.113 122.582 122.820 -0.209 0.000 2.515 116 A HA 0.558 4.878 4.320 -0.000 0.000 0.296 116 A C -0.165 177.270 177.584 -0.248 0.000 1.094 116 A CA -0.685 51.086 52.037 -0.444 0.000 0.718 116 A CB 0.642 19.583 19.000 -0.098 0.000 1.307 116 A HN 0.970 nan 8.150 nan 0.000 0.408 117 H N 0.607 119.605 119.070 -0.120 0.000 2.457 117 H HA -0.030 4.526 4.556 -0.000 0.000 0.294 117 H C 0.898 176.296 175.328 0.118 0.000 1.064 117 H CA 1.657 57.747 56.048 0.069 0.000 1.330 117 H CB 0.220 29.993 29.762 0.018 0.000 1.395 117 H HN 0.641 nan 8.280 nan 0.000 0.541 118 K N 0.304 120.805 120.400 0.168 0.000 2.504 118 K HA 0.022 4.342 4.320 -0.000 0.000 0.195 118 K C 1.444 178.112 176.600 0.112 0.000 1.036 118 K CA 0.515 56.879 56.287 0.127 0.000 0.984 118 K CB 0.409 32.963 32.500 0.090 0.000 0.788 118 K HN 0.146 nan 8.250 nan 0.000 0.488 119 G N 1.102 109.991 108.800 0.148 0.000 3.805 119 G HA2 0.015 3.975 3.960 -0.000 0.000 0.290 119 G HA3 0.015 3.975 3.960 -0.000 0.000 0.290 119 G C -0.625 174.387 174.900 0.186 0.000 1.077 119 G CA -0.204 44.996 45.100 0.168 0.000 0.852 119 G HN 0.121 nan 8.290 nan 0.000 0.531 120 E N 0.247 120.542 120.200 0.158 0.000 2.293 120 E HA 0.559 4.909 4.350 -0.000 0.000 0.270 120 E C -1.624 174.965 176.600 -0.019 0.000 0.879 120 E CA -0.582 55.859 56.400 0.068 0.000 0.756 120 E CB 2.777 32.642 29.700 0.274 0.000 1.208 120 E HN -0.103 nan 8.360 nan 0.000 0.428 121 V N 2.673 122.458 119.914 -0.214 0.000 2.409 121 V HA 0.601 4.721 4.120 -0.000 0.000 0.290 121 V C -0.643 175.288 176.094 -0.272 0.000 1.017 121 V CA -0.579 61.637 62.300 -0.139 0.000 0.841 121 V CB 1.261 33.069 31.823 -0.026 0.000 1.003 121 V HN 0.733 nan 8.190 nan 0.000 0.426 122 A N 3.904 126.663 122.820 -0.102 0.000 2.273 122 A HA 0.888 5.208 4.320 -0.000 0.000 0.315 122 A C 0.140 177.649 177.584 -0.125 0.000 1.256 122 A CA -0.245 51.781 52.037 -0.017 0.000 0.851 122 A CB 1.089 20.180 19.000 0.151 0.000 1.172 122 A HN 0.902 nan 8.150 nan 0.000 0.508 123 T N -0.340 114.072 114.554 -0.237 0.000 2.887 123 T HA 0.685 5.035 4.350 -0.000 0.000 0.292 123 T C -2.526 171.874 174.700 -0.499 0.000 1.087 123 T CA -1.806 60.025 62.100 -0.449 0.000 1.009 123 T CB 1.716 70.112 68.868 -0.785 0.000 1.203 123 T HN 0.109 nan 8.240 nan 0.000 0.518 124 P HA 0.026 nan 4.420 nan 0.000 0.222 124 P C 0.676 177.903 177.300 -0.121 0.000 1.147 124 P CA 0.833 63.613 63.100 -0.535 0.000 0.790 124 P CB -0.314 30.654 31.700 -1.221 0.000 0.780 125 Y N -4.320 115.977 120.300 -0.005 0.000 2.481 125 Y HA 0.472 5.022 4.550 -0.000 0.000 0.247 125 Y C 0.120 176.121 175.900 0.168 0.000 1.151 125 Y CA -1.133 57.060 58.100 0.154 0.000 1.238 125 Y CB -0.120 38.459 38.460 0.199 0.000 1.179 125 Y HN -0.171 nan 8.280 nan 0.000 0.524 126 Y N 0.538 120.589 120.300 -0.416 0.000 2.424 126 Y HA 0.479 5.029 4.550 -0.000 0.000 0.323 126 Y C -2.411 173.367 175.900 -0.203 0.000 1.174 126 Y CA -2.250 55.691 58.100 -0.265 0.000 1.060 126 Y CB 1.155 39.454 38.460 -0.269 0.000 1.314 126 Y HN 0.052 nan 8.280 nan 0.000 0.439 127 Y N 6.282 126.126 120.300 -0.760 0.000 2.442 127 Y HA 0.632 5.182 4.550 -0.000 0.000 0.344 127 Y C -1.525 173.913 175.900 -0.769 0.000 0.976 127 Y CA -0.864 56.886 58.100 -0.583 0.000 1.040 127 Y CB 1.536 39.824 38.460 -0.287 0.000 1.228 127 Y HN 0.694 nan 8.280 nan 0.000 0.451 128 K N 5.381 125.126 120.400 -1.091 0.000 2.464 128 K HA 0.798 5.118 4.320 -0.000 0.000 0.253 128 K C -2.442 173.833 176.600 -0.542 0.000 0.933 128 K CA -0.837 55.060 56.287 -0.650 0.000 0.801 128 K CB 2.302 34.571 32.500 -0.385 0.000 1.271 128 K HN 0.574 nan 8.250 nan 0.000 0.430 129 V N 4.144 123.969 119.914 -0.148 0.000 3.012 129 V HA 0.414 4.534 4.120 -0.000 0.000 0.307 129 V C -2.076 174.146 176.094 0.213 0.000 1.166 129 V CA -0.728 61.608 62.300 0.060 0.000 0.974 129 V CB 1.901 33.837 31.823 0.188 0.000 1.040 129 V HN 0.802 nan 8.190 nan 0.000 0.428 130 Y N 6.011 126.391 120.300 0.134 0.000 2.353 130 Y HA 0.643 5.193 4.550 -0.000 0.000 0.340 130 Y C -0.480 175.542 175.900 0.205 0.000 0.972 130 Y CA -0.738 57.449 58.100 0.144 0.000 1.157 130 Y CB 1.261 39.789 38.460 0.113 0.000 1.157 130 Y HN 0.581 nan 8.280 nan 0.000 0.495 131 L N 7.753 128.804 121.223 -0.288 0.000 2.282 131 L HA 0.349 4.689 4.340 -0.000 0.000 0.287 131 L C 1.196 177.771 176.870 -0.492 0.000 1.075 131 L CA -0.109 54.625 54.840 -0.177 0.000 0.839 131 L CB 0.812 42.899 42.059 0.047 0.000 1.219 131 L HN 0.936 nan 8.230 nan 0.000 0.434 132 A N 2.657 125.296 122.820 -0.301 0.000 1.930 132 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 132 A C 1.945 179.432 177.584 -0.163 0.000 1.175 132 A CA 1.183 53.060 52.037 -0.266 0.000 0.627 132 A CB -0.139 18.913 19.000 0.087 0.000 0.815 132 A HN 0.795 nan 8.150 nan 0.000 0.443 133 E N -1.090 119.017 120.200 -0.155 0.000 2.427 133 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 133 E C 0.858 177.280 176.600 -0.296 0.000 1.028 133 E CA 0.634 56.907 56.400 -0.212 0.000 0.864 133 E CB -0.052 29.509 29.700 -0.233 0.000 0.813 133 E HN 0.715 nan 8.360 nan 0.000 0.514 134 H N -0.342 118.711 119.070 -0.028 0.000 2.755 134 H HA 0.039 4.595 4.556 -0.000 0.000 0.273 134 H C 0.095 175.422 175.328 -0.002 0.000 1.055 134 H CA 0.245 56.297 56.048 0.007 0.000 1.191 134 H CB 0.473 30.247 29.762 0.021 0.000 1.536 134 H HN 0.064 nan 8.280 nan 0.000 0.529 135 D N 1.005 121.399 120.400 -0.011 0.000 2.686 135 D HA -0.189 4.451 4.640 -0.000 0.000 0.235 135 D C -0.625 175.734 176.300 0.099 0.000 1.160 135 D CA 0.341 54.373 54.000 0.054 0.000 0.645 135 D CB -1.601 39.315 40.800 0.193 0.000 1.039 135 D HN 0.420 nan 8.370 nan 0.000 0.423 136 I N -0.027 120.514 120.570 -0.048 0.000 2.465 136 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 136 I C 0.323 176.464 176.117 0.039 0.000 1.014 136 I CA -1.265 60.024 61.300 -0.019 0.000 1.093 136 I CB 2.084 40.013 38.000 -0.120 0.000 1.267 136 I HN -0.238 nan 8.210 nan 0.000 0.431 137 V N 4.785 124.774 119.914 0.126 0.000 2.465 137 V HA 0.340 4.460 4.120 -0.000 0.000 0.279 137 V C 0.188 176.327 176.094 0.074 0.000 1.045 137 V CA -0.201 62.194 62.300 0.158 0.000 0.938 137 V CB 1.401 33.324 31.823 0.167 0.000 0.986 137 V HN 0.725 nan 8.190 nan 0.000 0.467 138 T N 5.348 119.936 114.554 0.056 0.000 2.797 138 T HA 0.566 4.916 4.350 -0.000 0.000 0.279 138 T C -0.349 174.240 174.700 -0.184 0.000 0.991 138 T CA -0.504 61.559 62.100 -0.062 0.000 0.979 138 T CB 1.475 70.192 68.868 -0.251 0.000 0.943 138 T HN 0.777 nan 8.240 nan 0.000 0.444 142 P HA 0.519 nan 4.420 nan 0.000 0.282 142 P C 0.182 177.517 177.300 0.058 0.000 1.259 142 P CA -0.201 62.873 63.100 -0.043 0.000 0.826 142 P CB 1.529 33.275 31.700 0.076 0.000 1.064 143 T N -2.578 112.018 114.554 0.069 0.000 2.864 143 T HA 0.287 4.637 4.350 -0.000 0.000 0.276 143 T C 1.243 176.025 174.700 0.136 0.000 1.006 143 T CA -0.409 61.745 62.100 0.091 0.000 0.970 143 T CB 0.251 69.160 68.868 0.068 0.000 1.420 143 T HN 0.326 nan 8.240 nan 0.000 0.601 144 E N 0.187 120.457 120.200 0.116 0.000 2.110 144 E HA -0.088 4.261 4.350 -0.000 0.000 0.193 144 E C 2.051 178.750 176.600 0.166 0.000 0.988 144 E CA 1.027 57.505 56.400 0.131 0.000 0.804 144 E CB -0.014 29.732 29.700 0.077 0.000 0.745 144 E HN 0.467 nan 8.360 nan 0.000 0.458 145 R N -1.200 119.392 120.500 0.154 0.000 2.521 145 R HA 0.347 4.687 4.340 -0.000 0.000 0.289 145 R C -0.024 176.415 176.300 0.231 0.000 0.936 145 R CA 0.009 56.216 56.100 0.179 0.000 1.089 145 R CB 1.497 31.866 30.300 0.114 0.000 1.348 145 R HN -0.054 nan 8.270 nan 0.000 0.536 146 A N 0.555 123.491 122.820 0.194 0.000 2.437 146 A HA 0.799 5.118 4.320 -0.000 0.000 0.292 146 A C -1.383 176.226 177.584 0.042 0.000 1.173 146 A CA -0.638 51.493 52.037 0.156 0.000 0.785 146 A CB 2.212 21.270 19.000 0.096 0.000 1.351 146 A HN -0.056 nan 8.150 nan 0.000 0.431 147 V N 0.133 119.980 119.914 -0.112 0.000 2.969 147 V HA 0.617 4.737 4.120 -0.000 0.000 0.304 147 V C -1.987 173.917 176.094 -0.317 0.000 1.192 147 V CA -0.570 61.500 62.300 -0.384 0.000 0.962 147 V CB 1.911 33.112 31.823 -1.037 0.000 1.045 147 V HN 1.191 nan 8.190 nan 0.000 0.428 148 L N 6.052 127.074 121.223 -0.336 0.000 2.282 148 L HA 0.705 5.045 4.340 -0.000 0.000 0.288 148 L C -1.211 175.388 176.870 -0.451 0.000 1.033 148 L CA 0.291 54.973 54.840 -0.263 0.000 0.807 148 L CB 1.100 43.063 42.059 -0.160 0.000 1.209 148 L HN 0.562 nan 8.230 nan 0.000 0.423 149 F N 4.399 124.095 119.950 -0.423 0.000 2.422 149 F HA 0.600 5.127 4.527 -0.000 0.000 0.333 149 F C 0.337 175.767 175.800 -0.617 0.000 1.095 149 F CA -0.339 57.285 58.000 -0.627 0.000 1.038 149 F CB 1.387 39.867 39.000 -0.867 0.000 1.156 149 F HN 0.420 nan 8.300 nan 0.000 0.483 150 R N 3.924 124.151 120.500 -0.454 0.000 2.451 150 R HA 0.485 4.825 4.340 -0.000 0.000 0.307 150 R C -1.953 174.132 176.300 -0.358 0.000 0.965 150 R CA -0.455 55.458 56.100 -0.312 0.000 0.865 150 R CB 0.685 30.907 30.300 -0.130 0.000 1.174 150 R HN 0.559 nan 8.270 nan 0.000 0.455 151 F N 2.168 122.146 119.950 0.045 0.000 2.415 151 F HA 0.332 4.859 4.527 -0.000 0.000 0.348 151 F C 0.365 176.100 175.800 -0.109 0.000 1.119 151 F CA -0.768 57.165 58.000 -0.111 0.000 1.069 151 F CB 2.374 41.258 39.000 -0.194 0.000 1.124 151 F HN 0.275 nan 8.300 nan 0.000 0.472 152 T N 4.538 119.106 114.554 0.024 0.000 2.753 152 T HA 0.403 4.753 4.350 -0.000 0.000 0.297 152 T C -0.548 174.161 174.700 0.016 0.000 0.981 152 T CA -0.345 61.797 62.100 0.070 0.000 0.956 152 T CB -0.004 68.918 68.868 0.090 0.000 0.936 152 T HN 0.168 nan 8.240 nan 0.000 0.463 153 F N 5.252 125.291 119.950 0.149 0.000 2.399 153 F HA 0.488 5.015 4.527 -0.000 0.000 0.328 153 F C -1.606 174.258 175.800 0.106 0.000 1.084 153 F CA -2.120 55.956 58.000 0.128 0.000 1.053 153 F CB 1.258 40.322 39.000 0.107 0.000 1.209 153 F HN 0.325 nan 8.300 nan 0.000 0.502 154 P HA 0.108 nan 4.420 nan 0.000 0.284 154 P C -1.165 176.234 177.300 0.164 0.000 1.292 154 P CA -0.578 62.646 63.100 0.207 0.000 0.800 154 P CB 0.609 32.423 31.700 0.191 0.000 1.188 155 E N 0.629 120.894 120.200 0.109 0.000 2.415 155 E HA 0.071 4.421 4.350 -0.000 0.000 0.260 155 E C -0.270 176.365 176.600 0.059 0.000 1.016 155 E CA 0.520 56.960 56.400 0.066 0.000 0.924 155 E CB -0.274 29.455 29.700 0.049 0.000 0.961 155 E HN 0.265 nan 8.360 nan 0.000 0.459 156 N N 3.422 122.132 118.700 0.017 0.000 2.555 156 N HA 0.035 4.775 4.740 -0.000 0.000 0.265 156 N C -0.935 174.507 175.510 -0.113 0.000 1.135 156 N CA -0.473 52.574 53.050 -0.006 0.000 0.925 156 N CB 1.521 40.032 38.487 0.040 0.000 1.662 156 N HN 0.353 nan 8.380 nan 0.000 0.489 157 D N -0.105 120.185 120.400 -0.184 0.000 2.317 157 D HA 0.005 4.645 4.640 -0.000 0.000 0.211 157 D C -0.216 175.628 176.300 -0.761 0.000 0.966 157 D CA 1.253 54.985 54.000 -0.447 0.000 0.876 157 D CB 0.180 40.659 40.800 -0.535 0.000 0.927 157 D HN 0.407 nan 8.370 nan 0.000 0.519 158 H N 0.066 119.027 119.070 -0.181 0.000 2.418 158 H HA 0.384 4.940 4.556 -0.000 0.000 0.238 158 H C -0.416 174.580 175.328 -0.553 0.000 1.403 158 H CA -0.235 55.583 56.048 -0.383 0.000 1.419 158 H CB 0.308 30.006 29.762 -0.106 0.000 1.463 158 H HN -0.198 nan 8.280 nan 0.000 0.515 159 S N 2.042 117.356 115.700 -0.643 0.000 2.489 159 S HA 0.546 5.016 4.470 -0.000 0.000 0.291 159 S C -0.592 173.395 174.600 -1.022 0.000 1.151 159 S CA -0.483 57.354 58.200 -0.605 0.000 1.082 159 S CB 0.966 63.802 63.200 -0.606 0.000 1.019 159 S HN 0.360 nan 8.310 nan 0.000 0.492 160 Y N 0.052 120.168 120.300 -0.308 0.000 2.609 160 Y HA 0.657 5.207 4.550 -0.000 0.000 0.342 160 Y C -0.423 175.335 175.900 -0.236 0.000 1.058 160 Y CA -1.148 56.707 58.100 -0.409 0.000 1.055 160 Y CB 1.412 39.675 38.460 -0.328 0.000 1.292 160 Y HN 0.306 nan 8.280 nan 0.000 0.476 161 V N 2.348 122.190 119.914 -0.119 0.000 2.531 161 V HA 0.443 4.563 4.120 -0.000 0.000 0.301 161 V C -0.870 175.215 176.094 -0.016 0.000 1.034 161 V CA -0.939 61.322 62.300 -0.064 0.000 0.865 161 V CB 1.732 33.568 31.823 0.021 0.000 0.995 161 V HN 0.534 nan 8.190 nan 0.000 0.424 162 V N 5.496 125.421 119.914 0.018 0.000 2.407 162 V HA 0.446 4.566 4.120 -0.000 0.000 0.278 162 V C -0.059 176.130 176.094 0.159 0.000 1.037 162 V CA -0.481 61.871 62.300 0.088 0.000 0.900 162 V CB 1.666 33.514 31.823 0.042 0.000 0.983 162 V HN 0.601 nan 8.190 nan 0.000 0.459 163 V N 3.959 124.015 119.914 0.236 0.000 2.417 163 V HA 0.447 4.567 4.120 -0.000 0.000 0.291 163 V C -0.478 175.859 176.094 0.405 0.000 1.024 163 V CA -0.441 62.035 62.300 0.292 0.000 0.861 163 V CB 1.801 33.801 31.823 0.295 0.000 0.985 163 V HN 0.904 nan 8.190 nan 0.000 0.436 164 D N 3.852 124.503 120.400 0.418 0.000 2.425 164 D HA 0.547 5.186 4.640 -0.000 0.000 0.240 164 D C 0.427 177.082 176.300 0.591 0.000 1.080 164 D CA -0.388 53.953 54.000 0.568 0.000 0.836 164 D CB 2.224 43.237 40.800 0.355 0.000 1.125 164 D HN 0.552 nan 8.370 nan 0.000 0.525 165 A N 3.803 126.980 122.820 0.594 0.000 2.275 165 A HA 0.341 4.661 4.320 -0.000 0.000 0.212 165 A C 0.244 178.154 177.584 0.543 0.000 1.201 165 A CA -0.066 52.276 52.037 0.508 0.000 0.843 165 A CB -0.484 18.793 19.000 0.461 0.000 0.873 165 A HN 0.530 nan 8.150 nan 0.000 0.492 166 F N -0.679 119.379 119.950 0.179 0.000 2.183 166 F HA -0.163 4.364 4.527 -0.000 0.000 0.318 166 F C 0.427 176.027 175.800 -0.333 0.000 0.966 166 F CA 0.354 58.270 58.000 -0.139 0.000 0.912 166 F CB -0.943 38.056 39.000 -0.003 0.000 4.135 166 F HN 0.567 nan 8.300 nan 0.000 0.137 167 D N -0.459 119.763 120.400 -0.296 0.000 2.560 167 D HA 0.511 5.151 4.640 -0.000 0.000 0.277 167 D C 0.281 176.621 176.300 0.066 0.000 1.194 167 D CA 0.374 54.278 54.000 -0.159 0.000 1.092 167 D CB 0.816 41.491 40.800 -0.208 0.000 1.169 167 D HN 0.534 nan 8.370 nan 0.000 0.607 168 K N -2.048 118.402 120.400 0.083 0.000 3.281 168 K HA 0.101 4.420 4.320 -0.000 0.000 0.295 168 K C 0.396 177.084 176.600 0.147 0.000 1.233 168 K CA 1.049 57.404 56.287 0.113 0.000 0.866 168 K CB -2.394 30.176 32.500 0.116 0.000 1.265 168 K HN 1.779 nan 8.250 nan 0.000 0.482 169 G N -0.958 107.938 108.800 0.158 0.000 3.017 169 G HA2 0.207 4.167 3.960 -0.000 0.000 0.680 169 G HA3 0.207 4.167 3.960 -0.000 0.000 0.680 169 G C -0.288 174.762 174.900 0.251 0.000 1.179 169 G CA 0.100 45.313 45.100 0.189 0.000 1.142 169 G HN 1.430 nan 8.290 nan 0.000 0.489 170 S N 0.977 116.804 115.700 0.212 0.000 2.732 170 S HA 0.917 5.387 4.470 -0.000 0.000 0.293 170 S C -0.926 173.653 174.600 -0.035 0.000 1.159 170 S CA -1.023 57.276 58.200 0.165 0.000 0.847 170 S CB 2.796 66.122 63.200 0.210 0.000 1.169 170 S HN 2.002 nan 8.310 nan 0.000 0.501 171 Y N -0.326 119.684 120.300 -0.483 0.000 2.513 171 Y HA 0.804 5.354 4.550 -0.000 0.000 0.340 171 Y C -1.970 173.710 175.900 -0.366 0.000 1.055 171 Y CA -1.089 56.657 58.100 -0.591 0.000 1.020 171 Y CB 1.387 39.080 38.460 -1.279 0.000 1.301 171 Y HN 0.962 nan 8.280 nan 0.000 0.453 172 I N 5.032 124.998 120.570 -1.007 0.000 2.752 172 I HA 0.524 4.694 4.170 -0.000 0.000 0.295 172 I C -1.944 173.645 176.117 -0.881 0.000 1.219 172 I CA -0.453 60.376 61.300 -0.785 0.000 1.030 172 I CB 2.033 39.864 38.000 -0.282 0.000 1.259 172 I HN 0.674 nan 8.210 nan 0.000 0.423 173 K N 7.505 127.527 120.400 -0.630 0.000 2.535 173 K HA 0.610 4.930 4.320 -0.000 0.000 0.250 173 K C -1.780 174.713 176.600 -0.178 0.000 0.948 173 K CA -0.550 55.514 56.287 -0.372 0.000 0.796 173 K CB 1.443 33.753 32.500 -0.318 0.000 1.216 173 K HN 0.589 nan 8.250 nan 0.000 0.432 174 I N 5.625 126.129 120.570 -0.110 0.000 2.342 174 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 174 I C -0.053 176.087 176.117 0.038 0.000 1.010 174 I CA -0.652 60.640 61.300 -0.014 0.000 1.308 174 I CB 1.125 39.091 38.000 -0.056 0.000 1.400 174 I HN 0.467 nan 8.210 nan 0.000 0.488 175 I N 8.594 129.236 120.570 0.120 0.000 2.503 175 I HA 0.224 4.394 4.170 -0.000 0.000 0.277 175 I C -1.620 174.591 176.117 0.157 0.000 1.078 175 I CA -1.493 59.866 61.300 0.098 0.000 1.184 175 I CB 1.024 39.057 38.000 0.054 0.000 1.353 175 I HN 0.383 nan 8.210 nan 0.000 0.490 176 P HA -0.173 nan 4.420 nan 0.000 0.221 176 P C 1.151 178.439 177.300 -0.020 0.000 1.150 176 P CA 1.200 64.377 63.100 0.130 0.000 0.800 176 P CB 0.099 31.890 31.700 0.151 0.000 0.787 177 E N 0.963 121.165 120.200 0.003 0.000 2.472 177 E HA -0.166 4.184 4.350 -0.000 0.000 0.200 177 E C 0.632 177.217 176.600 -0.025 0.000 1.046 177 E CA 1.030 57.418 56.400 -0.019 0.000 0.871 177 E CB -0.519 29.177 29.700 -0.006 0.000 0.806 177 E HN 0.390 nan 8.360 nan 0.000 0.533 178 E N 0.394 120.587 120.200 -0.011 0.000 2.714 178 E HA 0.117 4.467 4.350 -0.000 0.000 0.219 178 E C -0.582 176.016 176.600 -0.003 0.000 0.979 178 E CA -0.388 56.014 56.400 0.002 0.000 1.092 178 E CB 0.312 30.032 29.700 0.033 0.000 1.049 178 E HN 0.051 nan 8.360 nan 0.000 0.487 179 N N 2.437 121.055 118.700 -0.135 0.000 2.699 179 N HA -0.223 4.516 4.740 -0.000 0.000 0.256 179 N C -0.678 174.993 175.510 0.268 0.000 0.993 179 N CA 1.241 54.081 53.050 -0.351 0.000 0.759 179 N CB -0.840 37.505 38.487 -0.237 0.000 0.906 179 N HN 0.323 nan 8.380 nan 0.000 0.541 180 K N 0.289 120.938 120.400 0.415 0.000 2.426 180 K HA 0.664 4.983 4.320 -0.000 0.000 0.251 180 K C -0.931 175.928 176.600 0.432 0.000 0.941 180 K CA -0.666 55.874 56.287 0.421 0.000 0.808 180 K CB 1.577 34.199 32.500 0.202 0.000 1.265 180 K HN 0.086 nan 8.250 nan 0.000 0.432 181 I N 5.431 126.227 120.570 0.376 0.000 2.498 181 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 181 I C -0.143 176.066 176.117 0.154 0.000 1.032 181 I CA -1.025 60.417 61.300 0.237 0.000 1.073 181 I CB 1.838 40.017 38.000 0.299 0.000 1.251 181 I HN 0.622 nan 8.210 nan 0.000 0.426 182 I N 1.974 122.528 120.570 -0.027 0.000 3.023 182 I HA 1.077 5.246 4.170 -0.000 0.000 0.312 182 I C -0.105 175.763 176.117 -0.413 0.000 1.056 182 I CA -0.512 60.692 61.300 -0.160 0.000 1.033 182 I CB 2.371 40.186 38.000 -0.308 0.000 1.233 182 I HN 0.636 nan 8.210 nan 0.000 0.462 183 G N 1.547 109.923 108.800 -0.706 0.000 2.441 183 G HA2 0.515 4.475 3.960 -0.000 0.000 0.294 183 G HA3 0.515 4.475 3.960 -0.000 0.000 0.294 183 G C -2.159 172.250 174.900 -0.819 0.000 1.393 183 G CA -0.530 44.046 45.100 -0.873 0.000 0.796 183 G HN 1.063 nan 8.290 nan 0.000 0.494 184 Y N -1.731 118.382 120.300 -0.312 0.000 2.562 184 Y HA 0.874 5.424 4.550 -0.000 0.000 0.345 184 Y C -0.340 175.573 175.900 0.021 0.000 1.045 184 Y CA -1.295 56.623 58.100 -0.303 0.000 1.028 184 Y CB 1.728 39.893 38.460 -0.492 0.000 1.297 184 Y HN 0.786 nan 8.280 nan 0.000 0.463 185 T N 0.074 114.815 114.554 0.310 0.000 2.887 185 T HA 0.528 4.877 4.350 -0.000 0.000 0.288 185 T C 0.278 175.095 174.700 0.196 0.000 1.021 185 T CA 0.142 62.428 62.100 0.311 0.000 1.000 185 T CB 1.306 70.355 68.868 0.303 0.000 1.034 185 T HN 1.170 nan 8.240 nan 0.000 0.467 186 T N 0.801 115.521 114.554 0.276 0.000 2.986 186 T HA 0.301 4.651 4.350 -0.000 0.000 0.264 186 T C 0.762 175.728 174.700 0.444 0.000 0.964 186 T CA -0.404 61.899 62.100 0.337 0.000 0.895 186 T CB -0.121 68.901 68.868 0.256 0.000 1.163 186 T HN 0.634 nan 8.240 nan 0.000 0.517 187 R N 3.243 123.946 120.500 0.338 0.000 2.486 187 R HA 0.109 4.449 4.340 -0.000 0.000 0.303 187 R C -0.152 176.318 176.300 0.284 0.000 0.958 187 R CA 0.686 56.953 56.100 0.279 0.000 1.077 187 R CB 0.054 30.526 30.300 0.287 0.000 0.921 187 R HN 0.744 nan 8.270 nan 0.000 0.406 188 N N 1.257 120.065 118.700 0.181 0.000 2.902 188 N HA 0.130 4.870 4.740 -0.000 0.000 0.268 188 N C -1.081 174.456 175.510 0.045 0.000 1.450 188 N CA -0.928 52.180 53.050 0.097 0.000 0.819 188 N CB 1.707 40.115 38.487 -0.132 0.000 1.540 188 N HN 0.314 nan 8.380 nan 0.000 0.545 189 S N -1.096 114.606 115.700 0.004 0.000 2.664 189 S HA 0.492 4.962 4.470 -0.000 0.000 0.245 189 S C 0.495 175.062 174.600 -0.055 0.000 1.019 189 S CA 0.140 58.338 58.200 -0.004 0.000 0.996 189 S CB -0.343 62.867 63.200 0.017 0.000 0.878 189 S HN 1.093 nan 8.310 nan 0.000 0.493 190 G N 0.437 109.179 108.800 -0.096 0.000 2.592 190 G HA2 0.340 4.300 3.960 -0.000 0.000 0.684 190 G HA3 0.340 4.300 3.960 -0.000 0.000 0.684 190 G C 0.392 175.171 174.900 -0.201 0.000 1.291 190 G CA -0.417 44.612 45.100 -0.117 0.000 0.891 190 G HN 1.173 nan 8.290 nan 0.000 0.544 191 G N -2.411 106.280 108.800 -0.181 0.000 2.221 191 G HA2 0.259 4.219 3.960 -0.000 0.000 0.265 191 G HA3 0.259 4.219 3.960 -0.000 0.000 0.265 191 G C 0.898 175.584 174.900 -0.356 0.000 1.041 191 G CA 1.551 46.507 45.100 -0.241 0.000 0.807 191 G HN 2.447 nan 8.290 nan 0.000 0.502 192 V N -3.454 116.279 119.914 -0.302 0.000 2.864 192 V HA 0.943 5.063 4.120 -0.000 0.000 0.314 192 V C -1.826 174.218 176.094 -0.083 0.000 1.073 192 V CA -2.736 59.385 62.300 -0.299 0.000 0.956 192 V CB 1.814 33.303 31.823 -0.556 0.000 1.023 192 V HN 0.067 nan 8.190 nan 0.000 0.435 193 P HA 0.287 nan 4.420 nan 0.000 0.272 193 P C 0.973 178.369 177.300 0.160 0.000 1.230 193 P CA -0.189 62.974 63.100 0.104 0.000 0.788 193 P CB 0.570 32.356 31.700 0.143 0.000 0.949 194 E N 0.248 120.520 120.200 0.120 0.000 2.219 194 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 194 E C 1.254 177.935 176.600 0.135 0.000 0.998 194 E CA 1.647 58.115 56.400 0.112 0.000 0.818 194 E CB -1.076 28.673 29.700 0.080 0.000 0.741 194 E HN 0.681 nan 8.360 nan 0.000 0.477 195 N N 0.026 118.828 118.700 0.170 0.000 2.314 195 N HA -0.004 4.736 4.740 -0.000 0.000 0.200 195 N C -0.002 175.577 175.510 0.116 0.000 1.135 195 N CA -0.379 52.750 53.050 0.131 0.000 0.835 195 N CB -0.829 37.743 38.487 0.142 0.000 0.989 195 N HN 0.291 nan 8.380 nan 0.000 0.478 196 F N 2.327 122.313 119.950 0.060 0.000 2.602 196 F HA 0.176 4.703 4.527 -0.000 0.000 0.385 196 F C 0.033 175.725 175.800 -0.179 0.000 1.063 196 F CA 0.255 58.255 58.000 0.001 0.000 1.233 196 F CB 0.357 39.406 39.000 0.082 0.000 1.067 196 F HN -0.051 nan 8.300 nan 0.000 0.564 197 K N 5.106 124.777 120.400 -1.216 0.000 2.546 197 K HA 0.188 4.508 4.320 -0.000 0.000 0.264 197 K C -1.413 174.388 176.600 -1.332 0.000 0.937 197 K CA -1.075 54.421 56.287 -1.318 0.000 0.833 197 K CB 1.949 33.556 32.500 -1.489 0.000 1.378 197 K HN 0.646 nan 8.250 nan 0.000 0.432 198 N N 2.559 120.679 118.700 -0.966 0.000 2.446 198 N HA 0.237 4.977 4.740 -0.000 0.000 0.265 198 N C -1.401 173.778 175.510 -0.551 0.000 0.975 198 N CA -0.338 52.288 53.050 -0.706 0.000 0.928 198 N CB 0.671 38.915 38.487 -0.405 0.000 1.160 198 N HN 0.411 nan 8.380 nan 0.000 0.495 199 Y N 3.824 123.850 120.300 -0.457 0.000 2.326 199 Y HA 0.340 4.890 4.550 -0.000 0.000 0.337 199 Y C 0.011 175.754 175.900 -0.261 0.000 1.023 199 Y CA -0.719 57.032 58.100 -0.583 0.000 1.143 199 Y CB 0.586 38.459 38.460 -0.978 0.000 1.183 199 Y HN 0.330 nan 8.280 nan 0.000 0.485 200 F N 1.372 121.310 119.950 -0.020 0.000 2.577 200 F HA 0.899 5.426 4.527 -0.000 0.000 0.318 200 F C -1.454 174.441 175.800 0.158 0.000 1.065 200 F CA -1.965 56.019 58.000 -0.026 0.000 0.929 200 F CB 1.234 39.927 39.000 -0.512 0.000 1.237 200 F HN 0.200 nan 8.300 nan 0.000 0.468 201 I N 3.419 124.224 120.570 0.392 0.000 2.533 201 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 201 I C -1.140 175.151 176.117 0.291 0.000 1.056 201 I CA -0.707 60.770 61.300 0.295 0.000 1.057 201 I CB 2.328 40.463 38.000 0.226 0.000 1.240 201 I HN 0.580 nan 8.210 nan 0.000 0.423 202 I N 5.459 126.178 120.570 0.249 0.000 2.410 202 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 202 I C -0.579 175.565 176.117 0.045 0.000 1.009 202 I CA -0.370 61.001 61.300 0.118 0.000 1.111 202 I CB 1.737 39.814 38.000 0.128 0.000 1.262 202 I HN 0.523 nan 8.210 nan 0.000 0.443 203 E N 5.950 126.125 120.200 -0.042 0.000 2.145 203 E HA 0.475 4.825 4.350 -0.000 0.000 0.270 203 E C -1.299 175.268 176.600 -0.055 0.000 0.906 203 E CA -0.600 55.824 56.400 0.039 0.000 0.761 203 E CB 1.792 31.532 29.700 0.066 0.000 1.116 203 E HN 0.272 nan 8.360 nan 0.000 0.408 204 F N 1.741 121.835 119.950 0.239 0.000 2.399 204 F HA 0.136 4.662 4.527 -0.000 0.000 0.328 204 F C 1.428 177.303 175.800 0.126 0.000 1.084 204 F CA -0.696 57.455 58.000 0.253 0.000 1.053 204 F CB 0.855 40.116 39.000 0.435 0.000 1.209 204 F HN 0.448 nan 8.300 nan 0.000 0.502 205 D N 0.132 120.707 120.400 0.291 0.000 2.342 205 D HA 0.030 4.670 4.640 -0.000 0.000 0.221 205 D C -0.077 176.274 176.300 0.086 0.000 1.101 205 D CA -0.002 54.081 54.000 0.139 0.000 0.837 205 D CB 0.037 40.892 40.800 0.091 0.000 0.938 205 D HN 0.420 nan 8.370 nan 0.000 0.508 206 K N 1.042 121.512 120.400 0.116 0.000 2.397 206 K HA 0.411 4.731 4.320 -0.000 0.000 0.253 206 K C -2.939 173.662 176.600 0.002 0.000 0.932 206 K CA -2.062 54.212 56.287 -0.021 0.000 0.795 206 K CB 2.287 34.635 32.500 -0.253 0.000 1.159 206 K HN -0.218 nan 8.250 nan 0.000 0.424 207 P HA 0.097 nan 4.420 nan 0.000 0.272 207 P C -0.819 176.506 177.300 0.042 0.000 1.223 207 P CA -0.118 62.875 63.100 -0.178 0.000 0.784 207 P CB 0.232 31.864 31.700 -0.113 0.000 0.923 208 F N -0.077 119.936 119.950 0.106 0.000 2.384 208 F HA 0.292 4.818 4.527 -0.000 0.000 0.338 208 F C 1.731 177.555 175.800 0.040 0.000 1.103 208 F CA -0.456 57.574 58.000 0.051 0.000 1.157 208 F CB -0.185 38.782 39.000 -0.055 0.000 1.167 208 F HN 0.271 nan 8.300 nan 0.000 0.529 209 T N -1.962 112.730 114.554 0.230 0.000 3.040 209 T HA 0.208 4.558 4.350 -0.000 0.000 0.266 209 T C -0.575 174.222 174.700 0.162 0.000 1.005 209 T CA -0.081 62.107 62.100 0.146 0.000 0.906 209 T CB -0.614 68.315 68.868 0.102 0.000 1.082 209 T HN 0.462 nan 8.240 nan 0.000 0.531 210 Y N 2.398 122.698 120.300 0.002 0.000 2.457 210 Y HA 0.589 5.138 4.550 -0.000 0.000 0.343 210 Y C -1.469 174.382 175.900 -0.082 0.000 0.994 210 Y CA -1.333 56.761 58.100 -0.009 0.000 1.031 210 Y CB 1.587 40.081 38.460 0.057 0.000 1.246 210 Y HN 0.231 nan 8.280 nan 0.000 0.449 211 K N 4.449 124.440 120.400 -0.682 0.000 2.525 211 K HA 0.964 5.284 4.320 -0.000 0.000 0.254 211 K C -2.195 174.008 176.600 -0.662 0.000 0.934 211 K CA -1.036 54.930 56.287 -0.536 0.000 0.802 211 K CB 2.153 34.488 32.500 -0.275 0.000 1.295 211 K HN 0.814 nan 8.250 nan 0.000 0.433 212 A N 1.422 123.982 122.820 -0.433 0.000 2.517 212 A HA 0.608 4.928 4.320 -0.000 0.000 0.297 212 A C -0.620 176.838 177.584 -0.210 0.000 1.050 212 A CA -0.702 51.148 52.037 -0.310 0.000 0.694 212 A CB 1.526 20.375 19.000 -0.252 0.000 1.277 212 A HN 0.830 nan 8.150 nan 0.000 0.400 213 T N -0.964 113.473 114.554 -0.196 0.000 2.881 213 T HA 0.747 5.097 4.350 -0.000 0.000 0.278 213 T C -0.178 174.380 174.700 -0.237 0.000 0.982 213 T CA -0.661 61.320 62.100 -0.198 0.000 0.989 213 T CB 1.325 70.084 68.868 -0.181 0.000 1.058 213 T HN 1.012 nan 8.240 nan 0.000 0.529 214 V N 1.292 121.016 119.914 -0.316 0.000 2.588 214 V HA 0.630 4.750 4.120 -0.000 0.000 0.304 214 V C -0.506 175.370 176.094 -0.363 0.000 1.042 214 V CA -0.777 61.255 62.300 -0.446 0.000 0.877 214 V CB 1.595 32.863 31.823 -0.925 0.000 0.996 214 V HN 1.053 nan 8.190 nan 0.000 0.425 215 E N 5.670 125.705 120.200 -0.274 0.000 2.244 215 E HA 0.206 4.556 4.350 -0.000 0.000 0.260 215 E C 0.074 176.590 176.600 -0.141 0.000 0.884 215 E CA -0.477 55.824 56.400 -0.165 0.000 0.777 215 E CB 1.305 30.940 29.700 -0.108 0.000 1.197 215 E HN 0.936 nan 8.360 nan 0.000 0.416 216 N N 3.606 122.247 118.700 -0.098 0.000 2.722 216 N HA -0.324 4.416 4.740 -0.000 0.000 0.274 216 N C 0.775 176.229 175.510 -0.093 0.000 0.987 216 N CA 0.850 53.865 53.050 -0.059 0.000 0.817 216 N CB -1.409 37.078 38.487 0.001 0.000 0.921 216 N HN 0.891 nan 8.380 nan 0.000 0.565 217 G N -0.100 108.594 108.800 -0.176 0.000 2.241 217 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 217 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 217 G C -0.120 174.703 174.900 -0.128 0.000 0.998 217 G CA 0.271 45.304 45.100 -0.111 0.000 0.621 217 G HN 0.636 nan 8.290 nan 0.000 0.519 218 N N 0.731 119.342 118.700 -0.149 0.000 2.419 218 N HA 0.486 5.226 4.740 -0.000 0.000 0.264 218 N C -0.240 175.175 175.510 -0.158 0.000 1.031 218 N CA -0.342 52.635 53.050 -0.121 0.000 0.951 218 N CB 1.592 40.024 38.487 -0.091 0.000 1.101 218 N HN 0.250 nan 8.380 nan 0.000 0.488 219 L N 2.881 124.027 121.223 -0.128 0.000 2.410 219 L HA 0.098 4.438 4.340 -0.000 0.000 0.273 219 L C 0.061 176.866 176.870 -0.109 0.000 1.152 219 L CA 0.485 55.249 54.840 -0.126 0.000 0.855 219 L CB 0.390 42.403 42.059 -0.076 0.000 1.129 219 L HN 0.333 nan 8.230 nan 0.000 0.463 220 Q N 4.833 124.556 119.800 -0.129 0.000 2.674 220 Q HA 0.204 4.544 4.340 -0.000 0.000 0.249 220 Q C -0.658 175.254 176.000 -0.145 0.000 1.011 220 Q CA -0.280 55.451 55.803 -0.120 0.000 0.734 220 Q CB 1.112 29.780 28.738 -0.117 0.000 1.201 220 Q HN 0.615 nan 8.270 nan 0.000 0.498 221 E N 2.498 122.611 120.200 -0.145 0.000 2.415 221 E HA -0.058 4.292 4.350 -0.000 0.000 0.263 221 E C 0.037 176.522 176.600 -0.191 0.000 0.995 221 E CA 0.236 56.503 56.400 -0.222 0.000 0.915 221 E CB 0.343 29.926 29.700 -0.195 0.000 0.951 221 E HN 0.381 nan 8.360 nan 0.000 0.449 222 N N 1.462 120.023 118.700 -0.232 0.000 2.778 222 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 222 N C -1.126 174.314 175.510 -0.117 0.000 1.069 222 N CA 0.875 53.828 53.050 -0.161 0.000 0.831 222 N CB -1.184 37.228 38.487 -0.125 0.000 1.142 222 N HN 0.180 nan 8.380 nan 0.000 0.573 223 V N 0.816 120.656 119.914 -0.123 0.000 2.383 223 V HA 0.475 4.595 4.120 -0.000 0.000 0.275 223 V C 1.651 177.682 176.094 -0.105 0.000 1.036 223 V CA 0.260 62.502 62.300 -0.097 0.000 0.889 223 V CB 1.398 33.165 31.823 -0.094 0.000 0.985 223 V HN 0.331 nan 8.190 nan 0.000 0.459 224 A N 4.212 126.982 122.820 -0.083 0.000 1.933 224 A HA -0.021 4.298 4.320 -0.000 0.000 0.218 224 A C 0.938 178.455 177.584 -0.112 0.000 1.175 224 A CA 1.169 53.155 52.037 -0.084 0.000 0.628 224 A CB 0.024 18.991 19.000 -0.055 0.000 0.814 224 A HN 0.792 nan 8.150 nan 0.000 0.444 225 E N -0.941 119.196 120.200 -0.104 0.000 2.356 225 E HA 0.439 4.789 4.350 -0.000 0.000 0.275 225 E C -1.620 174.917 176.600 -0.106 0.000 0.904 225 E CA -0.700 55.621 56.400 -0.131 0.000 0.757 225 E CB 1.065 30.741 29.700 -0.040 0.000 1.232 225 E HN 0.265 nan 8.360 nan 0.000 0.442 226 Q N 1.515 121.228 119.800 -0.145 0.000 2.315 226 Q HA 0.383 4.723 4.340 -0.000 0.000 0.273 226 Q C -1.381 174.626 176.000 0.011 0.000 1.053 226 Q CA -0.689 55.071 55.803 -0.071 0.000 0.817 226 Q CB 2.411 31.086 28.738 -0.104 0.000 1.326 226 Q HN 0.480 nan 8.270 nan 0.000 0.423 227 T N 1.719 116.326 114.554 0.088 0.000 2.864 227 T HA 0.585 4.935 4.350 -0.000 0.000 0.310 227 T C -0.426 174.326 174.700 0.086 0.000 1.040 227 T CA -0.254 61.929 62.100 0.139 0.000 0.977 227 T CB 1.186 70.151 68.868 0.162 0.000 0.976 227 T HN 0.559 nan 8.240 nan 0.000 0.459 228 T N 1.032 115.635 114.554 0.082 0.000 2.711 228 T HA 0.281 4.631 4.350 -0.000 0.000 0.302 228 T C 0.531 175.296 174.700 0.108 0.000 1.373 228 T CA -0.409 61.736 62.100 0.074 0.000 1.000 228 T CB 1.792 70.682 68.868 0.036 0.000 1.483 228 T HN 0.460 nan 8.240 nan 0.000 0.499 229 D N 0.076 120.542 120.400 0.109 0.000 2.084 229 D HA -0.093 4.547 4.640 -0.000 0.000 0.194 229 D C 0.675 177.090 176.300 0.192 0.000 0.990 229 D CA 1.626 55.707 54.000 0.134 0.000 0.826 229 D CB -0.004 40.867 40.800 0.118 0.000 0.971 229 D HN 0.555 nan 8.370 nan 0.000 0.453 230 H N -0.685 118.429 119.070 0.073 0.000 2.791 230 H HA 0.587 5.143 4.556 -0.000 0.000 0.272 230 H C -1.202 174.151 175.328 0.042 0.000 1.188 230 H CA -0.927 55.182 56.048 0.101 0.000 1.436 230 H CB 0.625 30.454 29.762 0.113 0.000 1.467 230 H HN 0.176 nan 8.280 nan 0.000 0.500 231 A N 3.285 126.267 122.820 0.270 0.000 2.340 231 A HA 0.696 5.016 4.320 -0.000 0.000 0.268 231 A C 0.339 177.984 177.584 0.102 0.000 1.100 231 A CA 0.272 52.354 52.037 0.075 0.000 0.803 231 A CB 0.856 19.865 19.000 0.016 0.000 1.043 231 A HN 0.769 nan 8.150 nan 0.000 0.488 232 G N -1.264 107.449 108.800 -0.144 0.000 2.649 232 G HA2 0.789 4.748 3.960 -0.000 0.000 0.290 232 G HA3 0.789 4.748 3.960 -0.000 0.000 0.290 232 G C -1.056 173.765 174.900 -0.132 0.000 1.426 232 G CA 0.089 45.130 45.100 -0.099 0.000 0.794 232 G HN 1.780 nan 8.290 nan 0.000 0.483 233 A N -0.381 122.448 122.820 0.015 0.000 2.515 233 A HA 0.837 5.157 4.320 -0.000 0.000 0.298 233 A C -1.260 176.335 177.584 0.018 0.000 1.059 233 A CA -0.554 51.459 52.037 -0.039 0.000 0.698 233 A CB 1.344 20.323 19.000 -0.036 0.000 1.289 233 A HN 0.758 nan 8.150 nan 0.000 0.404 234 I N 2.601 123.149 120.570 -0.037 0.000 2.478 234 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 234 I C -0.849 175.241 176.117 -0.045 0.000 1.042 234 I CA -0.617 60.683 61.300 -0.001 0.000 1.067 234 I CB 1.738 39.758 38.000 0.033 0.000 1.233 234 I HN 0.717 nan 8.210 nan 0.000 0.431 235 I N 3.122 123.560 120.570 -0.222 0.000 2.863 235 I HA 1.074 5.244 4.170 -0.000 0.000 0.311 235 I C 0.153 176.052 176.117 -0.363 0.000 1.026 235 I CA -0.359 60.679 61.300 -0.437 0.000 1.077 235 I CB 1.948 39.184 38.000 -1.273 0.000 1.262 235 I HN 0.555 nan 8.210 nan 0.000 0.461 236 G N 1.547 110.061 108.800 -0.477 0.000 2.559 236 G HA2 0.765 4.725 3.960 -0.000 0.000 0.291 236 G HA3 0.765 4.725 3.960 -0.000 0.000 0.291 236 G C -1.699 172.686 174.900 -0.858 0.000 1.424 236 G CA -0.646 43.871 45.100 -0.972 0.000 0.786 236 G HN 0.959 nan 8.290 nan 0.000 0.485 237 F N -2.105 117.638 119.950 -0.345 0.000 2.858 237 F HA 0.656 5.183 4.527 -0.000 0.000 0.319 237 F C -0.735 174.847 175.800 -0.364 0.000 1.166 237 F CA -1.851 55.995 58.000 -0.256 0.000 0.899 237 F CB 0.790 39.678 39.000 -0.187 0.000 1.332 237 F HN 0.473 nan 8.300 nan 0.000 0.461 238 K N 0.781 121.181 120.400 -0.001 0.000 2.172 238 K HA 0.670 4.989 4.320 -0.000 0.000 0.276 238 K C -0.608 175.926 176.600 -0.110 0.000 1.013 238 K CA -0.547 55.671 56.287 -0.115 0.000 0.913 238 K CB 1.611 34.041 32.500 -0.115 0.000 1.055 238 K HN 0.829 nan 8.250 nan 0.000 0.461 239 T N -0.669 113.810 114.554 -0.126 0.000 2.893 239 T HA 0.430 4.780 4.350 -0.000 0.000 0.291 239 T C -0.162 174.517 174.700 -0.036 0.000 1.028 239 T CA -1.228 60.807 62.100 -0.107 0.000 0.995 239 T CB 1.557 70.356 68.868 -0.116 0.000 1.051 239 T HN 0.708 nan 8.240 nan 0.000 0.470 240 R N 1.202 121.694 120.500 -0.014 0.000 2.553 240 R HA 0.473 4.813 4.340 -0.000 0.000 0.263 240 R C -0.130 176.202 176.300 0.054 0.000 1.066 240 R CA -1.034 55.074 56.100 0.013 0.000 1.135 240 R CB 0.777 31.079 30.300 0.004 0.000 1.148 240 R HN 0.722 nan 8.270 nan 0.000 0.558 241 K N 0.248 120.681 120.400 0.055 0.000 2.472 241 K HA 0.025 4.345 4.320 -0.000 0.000 0.280 241 K C 0.470 177.119 176.600 0.080 0.000 1.028 241 K CA 1.489 57.822 56.287 0.076 0.000 1.045 241 K CB -0.054 32.482 32.500 0.060 0.000 0.902 241 K HN 0.884 nan 8.250 nan 0.000 0.478 242 G N 2.783 111.649 108.800 0.109 0.000 2.179 242 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 242 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 242 G C -0.074 174.890 174.900 0.107 0.000 0.977 242 G CA 0.394 45.554 45.100 0.100 0.000 0.641 242 G HN 0.725 nan 8.290 nan 0.000 0.533 243 E N 0.870 121.145 120.200 0.125 0.000 2.324 243 E HA 0.377 4.727 4.350 -0.000 0.000 0.271 243 E C 0.430 177.133 176.600 0.171 0.000 1.028 243 E CA -0.138 56.326 56.400 0.106 0.000 0.890 243 E CB 0.218 29.951 29.700 0.055 0.000 1.004 243 E HN 0.533 nan 8.360 nan 0.000 0.431 244 Q N 2.416 122.289 119.800 0.123 0.000 2.241 244 Q HA 0.419 4.759 4.340 -0.000 0.000 0.254 244 Q C -1.060 175.037 176.000 0.161 0.000 0.917 244 Q CA -0.812 55.083 55.803 0.153 0.000 0.919 244 Q CB 2.252 31.044 28.738 0.090 0.000 1.237 244 Q HN 0.323 nan 8.270 nan 0.000 0.434 245 V N 3.069 123.153 119.914 0.283 0.000 2.487 245 V HA 0.309 4.429 4.120 -0.000 0.000 0.298 245 V C -0.438 175.844 176.094 0.313 0.000 1.028 245 V CA -0.967 61.515 62.300 0.303 0.000 0.860 245 V CB 1.717 33.804 31.823 0.440 0.000 0.991 245 V HN 0.751 nan 8.190 nan 0.000 0.427 246 N N 2.972 121.794 118.700 0.203 0.000 2.473 246 N HA 0.729 5.468 4.740 -0.000 0.000 0.291 246 N C -0.442 175.145 175.510 0.128 0.000 1.083 246 N CA -0.233 52.874 53.050 0.095 0.000 0.951 246 N CB 2.450 40.961 38.487 0.040 0.000 1.164 246 N HN 0.811 nan 8.380 nan 0.000 0.480 247 A N 2.472 125.294 122.820 0.003 0.000 2.335 247 A HA 0.486 4.805 4.320 -0.000 0.000 0.304 247 A C -0.261 177.267 177.584 -0.092 0.000 1.118 247 A CA -0.711 51.241 52.037 -0.142 0.000 0.757 247 A CB 0.950 19.797 19.000 -0.255 0.000 1.188 247 A HN 0.594 nan 8.150 nan 0.000 0.460 248 R N 1.747 122.197 120.500 -0.084 0.000 2.265 248 R HA 0.660 5.000 4.340 -0.000 0.000 0.319 248 R C -0.917 175.387 176.300 0.006 0.000 1.006 248 R CA 0.022 56.105 56.100 -0.030 0.000 0.880 248 R CB 1.092 31.390 30.300 -0.004 0.000 1.077 248 R HN 0.679 nan 8.270 nan 0.000 0.454 249 I N 1.700 122.298 120.570 0.046 0.000 2.647 249 I HA 0.654 4.824 4.170 -0.000 0.000 0.295 249 I C -0.546 175.699 176.117 0.213 0.000 1.078 249 I CA -0.861 60.536 61.300 0.162 0.000 1.048 249 I CB 2.226 40.349 38.000 0.205 0.000 1.239 249 I HN 0.663 nan 8.210 nan 0.000 0.421 250 A N 3.631 126.627 122.820 0.295 0.000 2.594 250 A HA 0.898 5.218 4.320 -0.000 0.000 0.291 250 A C -0.897 176.891 177.584 0.340 0.000 1.105 250 A CA -0.485 51.729 52.037 0.295 0.000 0.694 250 A CB 2.141 21.252 19.000 0.186 0.000 1.291 250 A HN 0.732 nan 8.150 nan 0.000 0.410 251 S N -0.282 115.585 115.700 0.278 0.000 2.627 251 S HA 0.900 5.370 4.470 -0.000 0.000 0.283 251 S C -0.555 174.043 174.600 -0.004 0.000 1.127 251 S CA -0.007 58.299 58.200 0.177 0.000 0.863 251 S CB 1.674 65.022 63.200 0.246 0.000 1.121 251 S HN 2.072 nan 8.310 nan 0.000 0.479 252 S N -0.306 115.315 115.700 -0.132 0.000 2.564 252 S HA 0.682 5.152 4.470 -0.000 0.000 0.274 252 S C -1.129 173.266 174.600 -0.342 0.000 1.124 252 S CA -0.725 57.367 58.200 -0.181 0.000 0.869 252 S CB 0.848 64.002 63.200 -0.076 0.000 1.105 252 S HN 0.641 nan 8.310 nan 0.000 0.472 253 F N 2.106 121.985 119.950 -0.119 0.000 2.693 253 F HA 0.452 4.979 4.527 -0.000 0.000 0.303 253 F C 1.224 176.903 175.800 -0.200 0.000 1.097 253 F CA -0.011 57.832 58.000 -0.261 0.000 1.330 253 F CB 0.147 38.927 39.000 -0.367 0.000 1.067 253 F HN 0.425 nan 8.300 nan 0.000 0.565 254 I N -1.546 119.048 120.570 0.041 0.000 2.899 254 I HA 0.086 4.256 4.170 -0.000 0.000 0.257 254 I C 0.651 176.562 176.117 -0.344 0.000 1.115 254 I CA 0.385 61.674 61.300 -0.018 0.000 1.451 254 I CB 0.226 38.237 38.000 0.017 0.000 1.251 254 I HN 0.040 nan 8.210 nan 0.000 0.456 255 S N -1.630 113.681 115.700 -0.649 0.000 2.627 255 S HA 0.297 4.767 4.470 -0.000 0.000 0.268 255 S C -0.036 174.070 174.600 -0.823 0.000 1.130 255 S CA -0.707 56.843 58.200 -1.084 0.000 0.819 255 S CB 0.487 63.404 63.200 -0.472 0.000 1.100 255 S HN 0.028 nan 8.310 nan 0.000 0.465 256 F N 1.421 121.025 119.950 -0.577 0.000 2.171 256 F HA 0.062 4.589 4.527 -0.000 0.000 0.300 256 F C 2.676 178.402 175.800 -0.122 0.000 1.090 256 F CA 1.869 59.747 58.000 -0.203 0.000 1.293 256 F CB -0.375 38.566 39.000 -0.098 0.000 1.013 256 F HN 0.941 nan 8.300 nan 0.000 0.486 257 E N -0.012 120.211 120.200 0.039 0.000 2.077 257 E HA -0.300 4.049 4.350 -0.000 0.000 0.193 257 E C 2.195 178.797 176.600 0.004 0.000 0.989 257 E CA 1.266 57.680 56.400 0.023 0.000 0.800 257 E CB -0.142 29.557 29.700 -0.002 0.000 0.746 257 E HN 0.286 nan 8.360 nan 0.000 0.452 258 Q N 0.558 120.330 119.800 -0.046 0.000 2.119 258 Q HA -0.073 4.267 4.340 -0.000 0.000 0.201 258 Q C 1.901 177.904 176.000 0.005 0.000 0.972 258 Q CA 1.968 57.756 55.803 -0.025 0.000 0.847 258 Q CB -0.507 28.201 28.738 -0.050 0.000 0.903 258 Q HN 0.375 nan 8.270 nan 0.000 0.433 259 A N 0.298 123.118 122.820 0.000 0.000 1.902 259 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 259 A C 2.300 179.942 177.584 0.097 0.000 1.181 259 A CA 1.898 53.973 52.037 0.063 0.000 0.623 259 A CB -1.202 17.858 19.000 0.099 0.000 0.818 259 A HN 0.513 nan 8.150 nan 0.000 0.443 260 A N -0.138 122.741 122.820 0.098 0.000 1.940 260 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 260 A C 2.487 180.111 177.584 0.067 0.000 1.176 260 A CA 2.214 54.303 52.037 0.087 0.000 0.631 260 A CB -0.965 18.081 19.000 0.076 0.000 0.814 260 A HN 1.074 nan 8.150 nan 0.000 0.446 261 A N 0.026 122.879 122.820 0.054 0.000 1.898 261 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 261 A C 1.301 178.920 177.584 0.058 0.000 1.181 261 A CA 0.967 53.034 52.037 0.049 0.000 0.620 261 A CB -0.552 18.473 19.000 0.041 0.000 0.819 261 A HN 0.569 nan 8.150 nan 0.000 0.442 265 E N 1.226 121.456 120.200 0.051 0.000 2.204 265 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 265 E C 1.275 177.897 176.600 0.037 0.000 0.990 265 E CA 0.907 57.336 56.400 0.048 0.000 0.821 265 E CB 0.073 29.808 29.700 0.059 0.000 0.750 265 E HN 0.419 nan 8.360 nan 0.000 0.477 266 L N -0.189 121.053 121.223 0.033 0.000 2.341 266 L HA 0.075 4.414 4.340 -0.000 0.000 0.214 266 L C 1.637 178.516 176.870 0.016 0.000 1.115 266 L CA 0.227 55.077 54.840 0.017 0.000 0.820 266 L CB -0.904 41.161 42.059 0.010 0.000 0.944 266 L HN 0.198 nan 8.230 nan 0.000 0.452 267 G N 1.052 109.865 108.800 0.022 0.000 2.602 267 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.317 267 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.317 267 G C 0.633 175.542 174.900 0.015 0.000 1.327 267 G CA 0.360 45.472 45.100 0.020 0.000 0.971 267 G HN 0.246 nan 8.290 nan 0.000 0.540 268 K N 1.440 121.847 120.400 0.012 0.000 2.498 268 K HA 0.207 4.527 4.320 -0.000 0.000 0.207 268 K C 0.037 176.639 176.600 0.003 0.000 1.033 268 K CA -0.226 56.066 56.287 0.009 0.000 1.138 268 K CB 0.133 32.639 32.500 0.010 0.000 0.860 268 K HN 0.451 nan 8.250 nan 0.000 0.490 269 D N 2.474 122.875 120.400 0.002 0.000 2.449 269 D HA -0.057 4.583 4.640 -0.000 0.000 0.236 269 D C 0.613 176.909 176.300 -0.007 0.000 1.149 269 D CA 0.484 54.482 54.000 -0.002 0.000 0.878 269 D CB 0.552 41.351 40.800 -0.001 0.000 1.198 269 D HN 0.247 nan 8.370 nan 0.000 0.446 270 N N 0.897 119.592 118.700 -0.008 0.000 2.476 270 N HA 0.132 4.872 4.740 -0.000 0.000 0.287 270 N C 1.053 176.556 175.510 -0.011 0.000 1.262 270 N CA -0.553 52.490 53.050 -0.011 0.000 0.980 270 N CB 0.527 39.010 38.487 -0.008 0.000 1.163 270 N HN 0.142 nan 8.380 nan 0.000 0.592 271 I N -0.238 120.327 120.570 -0.009 0.000 2.163 271 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 271 I C 1.687 177.815 176.117 0.018 0.000 1.085 271 I CA 1.674 62.983 61.300 0.015 0.000 1.347 271 I CB -1.097 36.927 38.000 0.041 0.000 1.044 271 I HN 0.579 nan 8.210 nan 0.000 0.408 272 E N 0.584 120.776 120.200 -0.013 0.000 2.077 272 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 272 E C 2.235 178.814 176.600 -0.035 0.000 0.989 272 E CA 1.156 57.529 56.400 -0.045 0.000 0.800 272 E CB -0.257 29.413 29.700 -0.050 0.000 0.746 272 E HN 0.522 nan 8.360 nan 0.000 0.452 273 Q N -0.247 119.540 119.800 -0.022 0.000 2.079 273 Q HA -0.032 4.308 4.340 -0.000 0.000 0.200 273 Q C 2.210 178.204 176.000 -0.009 0.000 0.974 273 Q CA 0.951 56.742 55.803 -0.020 0.000 0.840 273 Q CB -0.061 28.669 28.738 -0.015 0.000 0.898 273 Q HN 0.266 nan 8.270 nan 0.000 0.430 274 L N 0.005 121.231 121.223 0.006 0.000 2.109 274 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 274 L C 2.470 179.379 176.870 0.065 0.000 1.086 274 L CA 0.711 55.566 54.840 0.025 0.000 0.760 274 L CB -0.552 41.517 42.059 0.015 0.000 0.910 274 L HN 0.210 nan 8.230 nan 0.000 0.437 275 A N -0.157 122.716 122.820 0.088 0.000 1.908 275 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 275 A C 2.231 179.810 177.584 -0.008 0.000 1.181 275 A CA 2.037 54.183 52.037 0.182 0.000 0.627 275 A CB -0.518 18.567 19.000 0.141 0.000 0.818 275 A HN 0.395 nan 8.150 nan 0.000 0.445 276 Q N 0.067 119.824 119.800 -0.072 0.000 2.079 276 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 276 Q C 1.908 177.836 176.000 -0.119 0.000 0.974 276 Q CA 2.166 57.882 55.803 -0.145 0.000 0.840 276 Q CB -0.279 28.399 28.738 -0.100 0.000 0.898 276 Q HN 0.680 nan 8.270 nan 0.000 0.430 277 K N -1.090 119.280 120.400 -0.049 0.000 2.148 277 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 277 K C 1.953 178.549 176.600 -0.006 0.000 1.050 277 K CA 1.058 57.331 56.287 -0.024 0.000 0.942 277 K CB -0.306 32.194 32.500 0.001 0.000 0.724 277 K HN 0.380 nan 8.250 nan 0.000 0.446 278 G N 1.605 110.428 108.800 0.038 0.000 2.403 278 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 278 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 278 G C 1.408 176.391 174.900 0.138 0.000 1.154 278 G CA 0.440 45.633 45.100 0.155 0.000 0.784 278 G HN 0.196 nan 8.290 nan 0.000 0.538 279 K N 0.375 120.610 120.400 -0.274 0.000 2.032 279 K HA -0.142 4.177 4.320 -0.000 0.000 0.209 279 K C 1.977 178.505 176.600 -0.120 0.000 1.048 279 K CA 1.699 57.669 56.287 -0.529 0.000 0.927 279 K CB -0.122 31.775 32.500 -1.004 0.000 0.712 279 K HN 0.102 nan 8.250 nan 0.000 0.441 280 D N 0.336 120.676 120.400 -0.100 0.000 2.097 280 D HA -0.153 4.486 4.640 -0.000 0.000 0.195 280 D C 1.809 178.121 176.300 0.020 0.000 0.989 280 D CA 1.460 55.445 54.000 -0.024 0.000 0.827 280 D CB -0.333 40.447 40.800 -0.033 0.000 0.966 280 D HN 0.372 nan 8.370 nan 0.000 0.456 281 A N 0.081 122.896 122.820 -0.008 0.000 1.908 281 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 281 A C 2.207 179.713 177.584 -0.129 0.000 1.181 281 A CA 1.293 53.282 52.037 -0.081 0.000 0.627 281 A CB -1.199 17.711 19.000 -0.150 0.000 0.818 281 A HN 0.309 nan 8.150 nan 0.000 0.445 282 W N 0.155 121.474 121.300 0.033 0.000 2.381 282 W HA -0.095 4.565 4.660 -0.000 0.000 0.301 282 W C 2.197 178.766 176.519 0.084 0.000 1.205 282 W CA 0.994 58.372 57.345 0.055 0.000 1.285 282 W CB -0.208 29.311 29.460 0.097 0.000 1.133 282 W HN 0.298 nan 8.180 nan 0.000 0.521 283 N N 0.288 119.178 118.700 0.316 0.000 2.289 283 N HA -0.205 4.535 4.740 -0.000 0.000 0.184 283 N C 1.573 177.233 175.510 0.250 0.000 1.016 283 N CA 1.592 54.855 53.050 0.355 0.000 0.872 283 N CB -0.637 38.047 38.487 0.329 0.000 0.973 283 N HN 0.320 nan 8.380 nan 0.000 0.433 284 Q N 0.978 120.869 119.800 0.152 0.000 2.084 284 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 284 Q C 1.876 177.937 176.000 0.102 0.000 0.978 284 Q CA 1.840 57.703 55.803 0.100 0.000 0.844 284 Q CB 0.054 28.829 28.738 0.063 0.000 0.898 284 Q HN 0.285 nan 8.270 nan 0.000 0.426 285 V N -2.174 117.804 119.914 0.107 0.000 2.500 285 V HA -0.027 4.093 4.120 -0.000 0.000 0.243 285 V C 2.221 178.443 176.094 0.213 0.000 1.039 285 V CA 1.062 63.470 62.300 0.179 0.000 1.053 285 V CB -0.799 31.008 31.823 -0.027 0.000 0.695 285 V HN 0.334 nan 8.190 nan 0.000 0.463 286 L N 1.665 123.001 121.223 0.188 0.000 2.083 286 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 286 L C 2.689 179.407 176.870 -0.254 0.000 1.083 286 L CA 1.726 56.658 54.840 0.153 0.000 0.752 286 L CB -1.146 41.062 42.059 0.248 0.000 0.899 286 L HN 0.521 nan 8.230 nan 0.000 0.433 287 G N -0.566 107.891 108.800 -0.571 0.000 2.776 287 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.209 287 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.209 287 G C 1.483 176.084 174.900 -0.499 0.000 1.145 287 G CA 0.037 44.344 45.100 -1.323 0.000 0.791 287 G HN 0.132 nan 8.290 nan 0.000 0.530 288 K N 0.100 120.398 120.400 -0.169 0.000 2.439 288 K HA 0.127 4.447 4.320 -0.000 0.000 0.197 288 K C 0.594 177.128 176.600 -0.110 0.000 1.041 288 K CA 0.361 56.619 56.287 -0.048 0.000 0.970 288 K CB 0.218 32.689 32.500 -0.048 0.000 0.773 288 K HN 0.373 nan 8.250 nan 0.000 0.479 289 I N 1.713 122.208 120.570 -0.126 0.000 2.476 289 I HA 0.166 4.335 4.170 -0.000 0.000 0.281 289 I C -0.704 175.355 176.117 -0.097 0.000 1.040 289 I CA -0.434 60.802 61.300 -0.106 0.000 1.094 289 I CB 1.751 39.776 38.000 0.040 0.000 1.219 289 I HN -0.150 nan 8.210 nan 0.000 0.450 290 E N 6.135 126.255 120.200 -0.134 0.000 2.109 290 E HA 0.434 4.784 4.350 -0.000 0.000 0.278 290 E C -0.627 175.885 176.600 -0.147 0.000 0.954 290 E CA -0.630 55.763 56.400 -0.012 0.000 0.779 290 E CB 2.577 32.351 29.700 0.123 0.000 1.093 290 E HN 0.454 nan 8.360 nan 0.000 0.401 291 V N 0.637 120.401 119.914 -0.251 0.000 2.630 291 V HA 0.653 4.773 4.120 -0.000 0.000 0.305 291 V C -0.307 175.568 176.094 -0.366 0.000 1.046 291 V CA -0.655 61.285 62.300 -0.600 0.000 0.934 291 V CB 1.562 32.429 31.823 -1.593 0.000 1.003 291 V HN 0.781 nan 8.190 nan 0.000 0.451 292 E N 1.613 121.692 120.200 -0.201 0.000 2.449 292 E HA 0.655 5.005 4.350 -0.000 0.000 0.278 292 E C 0.213 176.950 176.600 0.229 0.000 0.992 292 E CA -0.883 55.547 56.400 0.050 0.000 0.807 292 E CB 1.603 31.316 29.700 0.023 0.000 1.350 292 E HN 1.960 nan 8.360 nan 0.000 0.462 293 G N -0.324 108.652 108.800 0.293 0.000 2.298 293 G HA2 0.029 3.989 3.960 -0.000 0.000 0.287 293 G HA3 0.029 3.989 3.960 -0.000 0.000 0.287 293 G C 0.089 175.137 174.900 0.247 0.000 1.075 293 G CA 0.177 45.408 45.100 0.219 0.000 0.960 293 G HN 0.880 nan 8.290 nan 0.000 0.502 294 G N -0.540 108.392 108.800 0.219 0.000 2.921 294 G HA2 0.816 4.776 3.960 -0.000 0.000 0.291 294 G HA3 0.816 4.776 3.960 -0.000 0.000 0.291 294 G C -0.383 174.261 174.900 -0.427 0.000 1.370 294 G CA -0.055 45.013 45.100 -0.054 0.000 0.847 294 G HN 1.058 nan 8.290 nan 0.000 0.532 295 N N -1.398 117.037 118.700 -0.442 0.000 2.485 295 N HA 0.395 5.135 4.740 -0.000 0.000 0.280 295 N C 0.981 176.199 175.510 -0.487 0.000 1.205 295 N CA -0.861 51.969 53.050 -0.366 0.000 0.959 295 N CB 1.548 39.933 38.487 -0.170 0.000 1.206 295 N HN 0.355 nan 8.380 nan 0.000 0.545 296 L N -0.110 120.998 121.223 -0.193 0.000 2.127 296 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 296 L C 0.915 177.803 176.870 0.030 0.000 1.089 296 L CA 1.879 56.722 54.840 0.005 0.000 0.757 296 L CB -0.942 41.197 42.059 0.134 0.000 0.899 296 L HN 0.600 nan 8.230 nan 0.000 0.434 297 D N -0.717 119.677 120.400 -0.011 0.000 2.123 297 D HA -0.217 4.423 4.640 -0.000 0.000 0.196 297 D C 2.179 178.509 176.300 0.050 0.000 0.992 297 D CA 1.430 55.443 54.000 0.022 0.000 0.833 297 D CB -0.074 40.724 40.800 -0.004 0.000 0.954 297 D HN 0.538 nan 8.370 nan 0.000 0.455 298 Q N -0.774 119.027 119.800 0.001 0.000 2.079 298 Q HA -0.141 4.198 4.340 -0.000 0.000 0.200 298 Q C 2.122 178.341 176.000 0.364 0.000 0.974 298 Q CA 0.832 56.709 55.803 0.124 0.000 0.840 298 Q CB -0.139 28.554 28.738 -0.075 0.000 0.898 298 Q HN 0.366 nan 8.270 nan 0.000 0.430 299 Y N 0.871 121.299 120.300 0.213 0.000 2.128 299 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 299 Y C 2.287 178.306 175.900 0.198 0.000 1.154 299 Y CA 1.077 59.198 58.100 0.035 0.000 1.149 299 Y CB -0.522 37.619 38.460 -0.532 0.000 0.976 299 Y HN 0.040 nan 8.280 nan 0.000 0.505 300 R N -0.736 119.973 120.500 0.348 0.000 2.073 300 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 300 R C 2.212 178.645 176.300 0.223 0.000 1.134 300 R CA 2.004 58.301 56.100 0.328 0.000 0.952 300 R CB -0.821 29.621 30.300 0.237 0.000 0.850 300 R HN 0.270 nan 8.270 nan 0.000 0.433 301 T N 0.999 115.636 114.554 0.139 0.000 2.708 301 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 301 T C 1.429 176.118 174.700 -0.019 0.000 1.037 301 T CA 1.443 63.506 62.100 -0.063 0.000 1.146 301 T CB -0.372 68.349 68.868 -0.245 0.000 0.865 301 T HN 0.171 nan 8.240 nan 0.000 0.435 302 F N 0.839 120.861 119.950 0.120 0.000 2.075 302 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 302 F C 2.028 177.814 175.800 -0.022 0.000 1.113 302 F CA 1.256 59.356 58.000 0.168 0.000 1.218 302 F CB -0.430 38.641 39.000 0.118 0.000 0.984 302 F HN 0.124 nan 8.300 nan 0.000 0.472 303 Y N -0.040 120.465 120.300 0.341 0.000 2.314 303 Y HA -0.108 4.442 4.550 -0.000 0.000 0.293 303 Y C 2.738 178.715 175.900 0.129 0.000 1.129 303 Y CA 1.291 59.523 58.100 0.221 0.000 1.201 303 Y CB -1.036 37.653 38.460 0.380 0.000 0.999 303 Y HN 0.014 nan 8.280 nan 0.000 0.541 304 S N -1.106 114.736 115.700 0.236 0.000 2.368 304 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 304 S C 2.194 176.917 174.600 0.204 0.000 1.030 304 S CA 1.413 59.722 58.200 0.182 0.000 0.999 304 S CB -0.781 62.478 63.200 0.099 0.000 0.844 304 S HN 0.526 nan 8.310 nan 0.000 0.459 305 C N 0.983 120.332 119.300 0.083 0.000 2.440 305 C HA 0.063 4.523 4.460 -0.000 0.000 0.278 305 C C 2.480 177.499 174.990 0.049 0.000 1.295 305 C CA 0.239 59.321 59.018 0.107 0.000 1.738 305 C CB -1.301 26.475 27.740 0.061 0.000 1.987 305 C HN 0.490 nan 8.230 nan 0.000 0.492 306 L N 0.570 121.752 121.223 -0.069 0.000 2.017 306 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 306 L C 2.379 179.316 176.870 0.112 0.000 1.073 306 L CA 2.039 56.855 54.840 -0.040 0.000 0.745 306 L CB -1.449 40.550 42.059 -0.099 0.000 0.894 306 L HN 0.537 nan 8.230 nan 0.000 0.432 307 Y N 0.387 120.704 120.300 0.029 0.000 2.102 307 Y HA -0.297 4.253 4.550 -0.000 0.000 0.280 307 Y C 2.438 178.322 175.900 -0.026 0.000 1.178 307 Y CA 1.993 60.055 58.100 -0.062 0.000 1.146 307 Y CB -0.328 37.951 38.460 -0.302 0.000 0.968 307 Y HN 0.117 nan 8.280 nan 0.000 0.504 308 R N 0.082 120.484 120.500 -0.164 0.000 2.237 308 R HA -0.033 4.307 4.340 -0.000 0.000 0.219 308 R C 2.009 178.280 176.300 -0.048 0.000 1.080 308 R CA 1.078 57.048 56.100 -0.217 0.000 0.995 308 R CB -0.575 29.753 30.300 0.047 0.000 0.875 308 R HN 0.345 nan 8.270 nan 0.000 0.462 309 S N 0.556 116.261 115.700 0.007 0.000 2.593 309 S HA 0.172 4.642 4.470 -0.000 0.000 0.217 309 S C 1.181 175.791 174.600 0.018 0.000 0.966 309 S CA 0.256 58.495 58.200 0.066 0.000 0.914 309 S CB 0.227 63.480 63.200 0.088 0.000 0.776 309 S HN 0.196 nan 8.310 nan 0.000 0.523 310 L N 0.806 121.935 121.223 -0.156 0.000 3.218 310 L HA 0.412 4.752 4.340 -0.000 0.000 0.279 310 L C 0.574 176.911 176.870 -0.888 0.000 1.287 310 L CA 0.134 54.633 54.840 -0.567 0.000 1.024 310 L CB 0.162 41.799 42.059 -0.703 0.000 1.409 310 L HN 0.224 nan 8.230 nan 0.000 0.580 311 L N -1.291 119.706 121.223 -0.377 0.000 2.547 311 L HA 0.335 4.675 4.340 -0.000 0.000 0.218 311 L C -0.154 176.640 176.870 -0.127 0.000 1.048 311 L CA 0.404 55.050 54.840 -0.325 0.000 0.859 311 L CB 0.546 42.328 42.059 -0.462 0.000 1.128 311 L HN 0.054 nan 8.230 nan 0.000 0.483 312 F N 0.682 120.820 119.950 0.314 0.000 2.551 312 F HA 0.487 5.013 4.527 -0.000 0.000 0.316 312 F C -2.227 173.763 175.800 0.317 0.000 1.089 312 F CA -2.498 55.717 58.000 0.357 0.000 0.915 312 F CB 1.155 40.307 39.000 0.253 0.000 1.186 312 F HN -0.267 nan 8.300 nan 0.000 0.456 313 P HA 0.214 nan 4.420 nan 0.000 0.274 313 P C -1.028 176.661 177.300 0.648 0.000 1.231 313 P CA -0.604 62.845 63.100 0.582 0.000 0.790 313 P CB 1.030 33.041 31.700 0.518 0.000 0.951 314 R N 1.126 121.928 120.500 0.505 0.000 2.531 314 R HA 0.355 4.695 4.340 -0.000 0.000 0.273 314 R C -0.079 176.406 176.300 0.309 0.000 1.070 314 R CA -0.812 55.510 56.100 0.371 0.000 1.112 314 R CB 0.540 30.902 30.300 0.103 0.000 1.049 314 R HN 0.289 nan 8.270 nan 0.000 0.508 315 K N 1.429 121.865 120.400 0.059 0.000 2.489 315 K HA -0.062 4.258 4.320 -0.000 0.000 0.278 315 K C -0.519 176.024 176.600 -0.095 0.000 1.000 315 K CA 0.469 56.476 56.287 -0.467 0.000 1.012 315 K CB 0.282 32.489 32.500 -0.489 0.000 0.903 315 K HN 0.528 nan 8.250 nan 0.000 0.485 316 F N 3.714 123.524 119.950 -0.235 0.000 2.814 316 F HA 0.156 4.682 4.527 -0.000 0.000 0.326 316 F C -0.880 175.006 175.800 0.143 0.000 1.159 316 F CA -0.711 57.287 58.000 -0.003 0.000 1.234 316 F CB 0.435 39.445 39.000 0.017 0.000 1.016 316 F HN 0.485 nan 8.300 nan 0.000 0.510 317 Y N -1.083 119.258 120.300 0.069 0.000 2.598 317 Y HA 0.844 5.394 4.550 -0.000 0.000 0.340 317 Y C -0.718 175.242 175.900 0.100 0.000 1.038 317 Y CA -1.375 56.805 58.100 0.133 0.000 1.100 317 Y CB 0.917 39.482 38.460 0.175 0.000 1.281 317 Y HN 0.034 nan 8.280 nan 0.000 0.488 318 E N 1.494 121.870 120.200 0.293 0.000 2.433 318 E HA 0.565 4.915 4.350 -0.000 0.000 0.273 318 E C -1.670 175.070 176.600 0.234 0.000 0.950 318 E CA -1.108 55.388 56.400 0.161 0.000 0.796 318 E CB 2.984 32.745 29.700 0.103 0.000 1.330 318 E HN 0.583 nan 8.360 nan 0.000 0.455 319 L N 2.201 123.521 121.223 0.161 0.000 2.296 319 L HA 0.313 4.653 4.340 -0.000 0.000 0.286 319 L C -0.070 176.856 176.870 0.094 0.000 1.023 319 L CA -0.945 53.984 54.840 0.150 0.000 0.812 319 L CB 0.849 42.996 42.059 0.147 0.000 1.223 319 L HN 0.626 nan 8.230 nan 0.000 0.421 320 D N 2.463 122.908 120.400 0.074 0.000 2.414 320 D HA 0.152 4.792 4.640 -0.000 0.000 0.259 320 D C 1.036 177.362 176.300 0.044 0.000 1.269 320 D CA -0.242 53.787 54.000 0.048 0.000 1.028 320 D CB 0.903 41.722 40.800 0.032 0.000 1.093 320 D HN 0.474 nan 8.370 nan 0.000 0.545 321 A N -0.421 122.419 122.820 0.033 0.000 2.125 321 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 321 A C 1.352 178.955 177.584 0.031 0.000 1.156 321 A CA 0.833 52.888 52.037 0.031 0.000 0.671 321 A CB -0.661 18.352 19.000 0.023 0.000 0.794 321 A HN 0.518 nan 8.150 nan 0.000 0.459 322 N N -0.901 117.817 118.700 0.030 0.000 2.235 322 N HA 0.197 4.936 4.740 -0.000 0.000 0.209 322 N C 1.036 176.568 175.510 0.037 0.000 1.122 322 N CA 0.875 53.942 53.050 0.028 0.000 0.845 322 N CB 0.600 39.099 38.487 0.020 0.000 1.004 322 N HN 0.563 nan 8.380 nan 0.000 0.499 323 G N 0.522 109.351 108.800 0.048 0.000 2.159 323 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.256 323 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.256 323 G C -0.047 174.895 174.900 0.068 0.000 0.977 323 G CA -0.043 45.096 45.100 0.066 0.000 0.652 323 G HN 0.217 nan 8.290 nan 0.000 0.531 324 Q N 0.509 120.335 119.800 0.043 0.000 2.230 324 Q HA 0.480 4.819 4.340 -0.000 0.000 0.248 324 Q C -2.339 173.665 176.000 0.007 0.000 0.915 324 Q CA -2.093 53.714 55.803 0.005 0.000 0.900 324 Q CB 1.715 30.443 28.738 -0.018 0.000 1.229 324 Q HN 0.319 nan 8.270 nan 0.000 0.439 325 P HA 0.278 nan 4.420 nan 0.000 0.281 325 P C -0.502 176.787 177.300 -0.019 0.000 1.252 325 P CA -0.072 62.981 63.100 -0.078 0.000 0.778 325 P CB 0.573 31.889 31.700 -0.639 0.000 0.895 326 I N 0.560 121.211 120.570 0.136 0.000 3.074 326 I HA 0.678 4.848 4.170 -0.000 0.000 0.310 326 I C -0.881 175.400 176.117 0.273 0.000 1.153 326 I CA -1.084 60.288 61.300 0.121 0.000 0.993 326 I CB 2.772 40.800 38.000 0.046 0.000 1.237 326 I HN 0.397 nan 8.210 nan 0.000 0.443 327 H N 1.454 120.624 119.070 0.166 0.000 2.996 327 H HA 0.308 4.864 4.556 -0.000 0.000 0.368 327 H C -2.086 173.387 175.328 0.242 0.000 1.185 327 H CA -0.803 55.383 56.048 0.229 0.000 1.160 327 H CB 1.165 31.110 29.762 0.306 0.000 1.820 327 H HN 0.818 nan 8.280 nan 0.000 0.547 328 Y N 2.297 122.735 120.300 0.231 0.000 2.544 328 Y HA 0.133 4.683 4.550 -0.000 0.000 0.330 328 Y C 0.415 176.580 175.900 0.443 0.000 1.136 328 Y CA 0.260 58.506 58.100 0.244 0.000 1.417 328 Y CB 0.730 39.339 38.460 0.248 0.000 1.229 328 Y HN 0.670 nan 8.280 nan 0.000 0.532 329 S N 8.540 124.112 115.700 -0.214 0.000 2.448 329 S HA 0.254 4.724 4.470 -0.000 0.000 0.279 329 S C -1.719 172.569 174.600 -0.519 0.000 1.195 329 S CA -1.438 56.713 58.200 -0.083 0.000 1.051 329 S CB 0.524 63.721 63.200 -0.005 0.000 0.948 329 S HN 0.668 nan 8.310 nan 0.000 0.493 330 P HA 0.085 nan 4.420 nan 0.000 0.253 330 P C -0.059 176.849 177.300 -0.654 0.000 1.260 330 P CA 0.367 63.159 63.100 -0.513 0.000 0.800 330 P CB -0.108 31.114 31.700 -0.795 0.000 1.162 331 Y N 1.178 121.353 120.300 -0.208 0.000 2.522 331 Y HA 0.082 4.632 4.550 -0.000 0.000 0.277 331 Y C 1.826 177.678 175.900 -0.080 0.000 1.104 331 Y CA 0.896 58.908 58.100 -0.147 0.000 1.260 331 Y CB -0.289 38.091 38.460 -0.134 0.000 1.151 331 Y HN 0.102 nan 8.280 nan 0.000 0.539 332 N N -1.873 116.840 118.700 0.021 0.000 2.082 332 N HA 0.195 4.935 4.740 -0.000 0.000 0.228 332 N C 1.217 176.699 175.510 -0.046 0.000 1.341 332 N CA 0.549 53.604 53.050 0.007 0.000 0.873 332 N CB 0.581 39.086 38.487 0.030 0.000 1.137 332 N HN 0.175 nan 8.380 nan 0.000 0.505 333 G N 0.036 108.721 108.800 -0.192 0.000 2.168 333 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.263 333 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.263 333 G C -0.300 174.565 174.900 -0.059 0.000 0.977 333 G CA 0.699 45.689 45.100 -0.184 0.000 0.659 333 G HN 0.543 nan 8.290 nan 0.000 0.533 334 Q N -0.724 119.027 119.800 -0.082 0.000 2.256 334 Q HA 0.600 4.940 4.340 -0.000 0.000 0.232 334 Q C 0.110 176.094 176.000 -0.027 0.000 0.965 334 Q CA -0.707 55.085 55.803 -0.017 0.000 0.908 334 Q CB 2.058 30.782 28.738 -0.022 0.000 1.209 334 Q HN 0.171 nan 8.270 nan 0.000 0.489 335 V N 2.871 122.791 119.914 0.010 0.000 2.383 335 V HA 0.410 4.530 4.120 -0.000 0.000 0.275 335 V C -0.257 175.768 176.094 -0.114 0.000 1.036 335 V CA -0.324 61.968 62.300 -0.014 0.000 0.889 335 V CB 0.364 32.212 31.823 0.040 0.000 0.985 335 V HN 0.510 nan 8.190 nan 0.000 0.459 336 L N 6.636 127.689 121.223 -0.283 0.000 2.424 336 L HA 0.593 4.933 4.340 -0.000 0.000 0.258 336 L C -2.614 174.048 176.870 -0.348 0.000 0.995 336 L CA -1.958 52.690 54.840 -0.320 0.000 0.821 336 L CB 3.246 45.093 42.059 -0.353 0.000 1.383 336 L HN 0.380 nan 8.230 nan 0.000 0.410 337 P HA 0.391 nan 4.420 nan 0.000 0.275 337 P C -0.049 177.277 177.300 0.043 0.000 1.228 337 P CA 0.300 63.365 63.100 -0.060 0.000 0.786 337 P CB 1.329 33.005 31.700 -0.040 0.000 0.927 338 G N 0.542 109.356 108.800 0.025 0.000 2.462 338 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.685 338 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.685 338 G C -1.283 173.618 174.900 0.002 0.000 1.295 338 G CA -0.940 44.136 45.100 -0.039 0.000 0.941 338 G HN 0.282 nan 8.290 nan 0.000 0.554 342 T N -1.103 113.656 114.554 0.341 0.000 2.637 342 T HA 0.451 4.801 4.350 -0.000 0.000 0.303 342 T C -2.043 172.823 174.700 0.277 0.000 1.288 342 T CA -0.220 61.978 62.100 0.163 0.000 1.040 342 T CB 1.080 69.824 68.868 -0.207 0.000 1.644 342 T HN 0.672 nan 8.240 nan 0.000 0.480 343 D N 0.840 121.381 120.400 0.236 0.000 2.718 343 D HA -0.095 4.545 4.640 -0.000 0.000 0.242 343 D C -0.509 175.966 176.300 0.291 0.000 1.123 343 D CA 1.436 55.669 54.000 0.388 0.000 0.690 343 D CB -1.396 39.744 40.800 0.567 0.000 1.059 343 D HN 0.587 nan 8.370 nan 0.000 0.429 344 T N -1.238 113.304 114.554 -0.020 0.000 2.894 344 T HA 0.626 4.976 4.350 -0.000 0.000 0.309 344 T C -0.397 173.631 174.700 -1.120 0.000 1.208 344 T CA -0.013 61.885 62.100 -0.338 0.000 1.016 344 T CB 1.802 70.728 68.868 0.098 0.000 1.192 344 T HN 0.162 nan 8.240 nan 0.000 0.491 345 G N 2.485 110.355 108.800 -1.550 0.000 2.468 345 G HA2 0.534 4.494 3.960 -0.000 0.000 0.315 345 G HA3 0.534 4.494 3.960 -0.000 0.000 0.315 345 G C 0.427 175.087 174.900 -0.400 0.000 1.203 345 G CA -0.546 43.517 45.100 -1.729 0.000 0.962 345 G HN 0.606 nan 8.290 nan 0.000 0.476 346 F N 1.053 120.910 119.950 -0.155 0.000 2.269 346 F HA 0.043 4.570 4.527 -0.000 0.000 0.301 346 F C 2.046 178.014 175.800 0.279 0.000 1.082 346 F CA -0.120 57.920 58.000 0.067 0.000 1.360 346 F CB -0.448 38.575 39.000 0.038 0.000 1.041 346 F HN 0.751 nan 8.300 nan 0.000 0.512 347 W N 1.763 123.238 121.300 0.291 0.000 2.331 347 W HA -0.224 4.436 4.660 -0.000 0.000 0.291 347 W C 1.891 178.562 176.519 0.253 0.000 1.214 347 W CA 2.029 59.591 57.345 0.361 0.000 1.228 347 W CB -0.220 29.433 29.460 0.321 0.000 1.135 347 W HN -0.068 nan 8.180 nan 0.000 0.537 348 D N -1.168 119.391 120.400 0.265 0.000 2.146 348 D HA -0.129 4.511 4.640 -0.000 0.000 0.209 348 D C 2.157 178.409 176.300 -0.080 0.000 0.973 348 D CA 2.559 56.560 54.000 0.001 0.000 0.860 348 D CB -0.826 40.071 40.800 0.163 0.000 1.015 348 D HN 0.251 nan 8.370 nan 0.000 0.465 349 T N -0.833 113.797 114.554 0.127 0.000 3.100 349 T HA -0.008 4.342 4.350 -0.000 0.000 0.253 349 T C 1.949 176.816 174.700 0.277 0.000 1.118 349 T CA -0.204 62.036 62.100 0.233 0.000 1.058 349 T CB -0.735 68.386 68.868 0.422 0.000 0.953 349 T HN 0.230 nan 8.240 nan 0.000 0.515 350 F N 2.251 122.269 119.950 0.114 0.000 2.216 350 F HA 0.114 4.641 4.527 -0.000 0.000 0.300 350 F C 2.293 178.059 175.800 -0.056 0.000 1.085 350 F CA 0.270 58.256 58.000 -0.023 0.000 1.326 350 F CB -0.383 38.560 39.000 -0.094 0.000 1.027 350 F HN -0.038 nan 8.300 nan 0.000 0.497 351 R N 0.350 120.332 120.500 -0.862 0.000 2.070 351 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 351 R C 2.101 178.209 176.300 -0.320 0.000 1.137 351 R CA 2.172 57.800 56.100 -0.785 0.000 0.945 351 R CB -0.805 29.060 30.300 -0.725 0.000 0.845 351 R HN 0.671 nan 8.270 nan 0.000 0.430 352 C N -2.613 116.611 119.300 -0.126 0.000 4.100 352 C HA 0.356 4.816 4.460 -0.000 0.000 0.393 352 C C 1.963 177.092 174.990 0.231 0.000 1.619 352 C CA -0.859 58.119 59.018 -0.066 0.000 1.976 352 C CB -0.554 27.038 27.740 -0.246 0.000 2.992 352 C HN 0.344 nan 8.230 nan 0.000 0.694 353 L N 0.988 122.337 121.223 0.209 0.000 2.005 353 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 353 L C 2.275 179.247 176.870 0.170 0.000 1.072 353 L CA 2.282 57.245 54.840 0.205 0.000 0.744 353 L CB -1.110 41.047 42.059 0.164 0.000 0.895 353 L HN 0.357 nan 8.230 nan 0.000 0.433 354 F N 0.548 120.585 119.950 0.144 0.000 2.134 354 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 354 F C -0.216 175.665 175.800 0.136 0.000 1.097 354 F CA 1.488 59.554 58.000 0.110 0.000 1.264 354 F CB -1.846 37.169 39.000 0.025 0.000 1.001 354 F HN 0.191 nan 8.300 nan 0.000 0.479 355 P HA -0.221 nan 4.420 nan 0.000 0.216 355 P C 1.890 179.480 177.300 0.484 0.000 1.153 355 P CA 1.234 64.511 63.100 0.296 0.000 0.858 355 P CB -0.066 31.719 31.700 0.143 0.000 0.789 356 L N -1.000 120.538 121.223 0.525 0.000 2.079 356 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 356 L C 2.104 179.142 176.870 0.280 0.000 1.081 356 L CA 1.807 56.828 54.840 0.303 0.000 0.752 356 L CB -1.215 40.909 42.059 0.108 0.000 0.896 356 L HN -0.103 nan 8.230 nan 0.000 0.433 357 L N -0.855 120.542 121.223 0.290 0.000 2.093 357 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 357 L C 2.107 179.136 176.870 0.265 0.000 1.085 357 L CA 1.655 56.680 54.840 0.308 0.000 0.755 357 L CB -0.776 41.362 42.059 0.133 0.000 0.904 357 L HN 0.398 nan 8.230 nan 0.000 0.435 358 N N -0.318 118.535 118.700 0.256 0.000 2.309 358 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 358 N C 0.676 176.415 175.510 0.382 0.000 1.018 358 N CA 0.152 53.347 53.050 0.241 0.000 0.876 358 N CB 0.141 38.709 38.487 0.136 0.000 0.972 358 N HN 0.087 nan 8.380 nan 0.000 0.434 362 P HA -0.200 nan 4.420 nan 0.000 0.218 362 P C 1.664 178.990 177.300 0.045 0.000 1.148 362 P CA 2.259 65.437 63.100 0.131 0.000 0.822 362 P CB 0.215 32.029 31.700 0.189 0.000 0.784 363 S N -0.525 115.198 115.700 0.038 0.000 2.383 363 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 363 S C 2.057 176.598 174.600 -0.099 0.000 1.030 363 S CA 1.519 59.711 58.200 -0.013 0.000 1.002 363 S CB -1.819 61.391 63.200 0.016 0.000 0.829 363 S HN -0.001 nan 8.310 nan 0.000 0.467 364 V N 2.919 122.747 119.914 -0.144 0.000 2.307 364 V HA -0.128 3.991 4.120 -0.000 0.000 0.245 364 V C 2.784 178.642 176.094 -0.392 0.000 1.045 364 V CA 2.043 64.127 62.300 -0.359 0.000 1.024 364 V CB -1.277 30.119 31.823 -0.713 0.000 0.651 364 V HN 0.498 nan 8.190 nan 0.000 0.449 365 N N 0.525 119.074 118.700 -0.251 0.000 2.223 365 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 365 N C 1.712 177.121 175.510 -0.169 0.000 1.016 365 N CA 1.382 54.320 53.050 -0.186 0.000 0.863 365 N CB -0.279 38.199 38.487 -0.014 0.000 0.983 365 N HN 0.395 nan 8.380 nan 0.000 0.429 366 K N 1.252 121.570 120.400 -0.138 0.000 2.044 366 K HA -0.084 4.236 4.320 -0.000 0.000 0.210 366 K C 0.377 176.864 176.600 -0.189 0.000 1.049 366 K CA 1.146 57.362 56.287 -0.117 0.000 0.927 366 K CB -0.400 32.052 32.500 -0.079 0.000 0.713 366 K HN 0.356 nan 8.250 nan 0.000 0.443 370 E N 1.259 121.505 120.200 0.077 0.000 2.110 370 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 370 E C 1.825 178.553 176.600 0.213 0.000 0.988 370 E CA 1.442 57.942 56.400 0.166 0.000 0.804 370 E CB -0.100 29.749 29.700 0.249 0.000 0.745 370 E HN 0.459 nan 8.360 nan 0.000 0.458 371 G N 1.558 110.503 108.800 0.242 0.000 2.440 371 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 371 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 371 G C 1.760 176.797 174.900 0.228 0.000 1.154 371 G CA 0.619 45.885 45.100 0.276 0.000 0.767 371 G HN 0.169 nan 8.290 nan 0.000 0.552 372 L N 0.393 121.749 121.223 0.223 0.000 2.046 372 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 372 L C 2.840 179.962 176.870 0.419 0.000 1.077 372 L CA 0.519 55.535 54.840 0.294 0.000 0.747 372 L CB -0.445 41.711 42.059 0.162 0.000 0.896 372 L HN 0.120 nan 8.230 nan 0.000 0.432 373 I N 0.292 121.071 120.570 0.349 0.000 2.208 373 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 373 I C 2.096 178.336 176.117 0.205 0.000 1.097 373 I CA 1.778 63.275 61.300 0.329 0.000 1.363 373 I CB -1.360 36.777 38.000 0.228 0.000 1.051 373 I HN 0.400 nan 8.210 nan 0.000 0.413 374 N N -0.012 118.788 118.700 0.167 0.000 2.149 374 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 374 N C 1.681 177.210 175.510 0.032 0.000 1.019 374 N CA 1.776 54.897 53.050 0.119 0.000 0.857 374 N CB -0.068 38.505 38.487 0.144 0.000 0.997 374 N HN 0.334 nan 8.380 nan 0.000 0.426 375 T N -0.072 114.480 114.554 -0.003 0.000 2.746 375 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 375 T C 1.588 176.125 174.700 -0.272 0.000 1.039 375 T CA 1.008 62.923 62.100 -0.308 0.000 1.142 375 T CB -0.430 68.284 68.868 -0.257 0.000 0.866 375 T HN 0.336 nan 8.240 nan 0.000 0.444 376 Y N 1.712 121.852 120.300 -0.267 0.000 2.181 376 Y HA -0.038 4.511 4.550 -0.000 0.000 0.288 376 Y C 1.947 177.656 175.900 -0.318 0.000 1.146 376 Y CA 1.037 58.867 58.100 -0.449 0.000 1.164 376 Y CB -0.557 37.341 38.460 -0.937 0.000 0.982 376 Y HN 0.132 nan 8.280 nan 0.000 0.515 377 L N -0.136 120.894 121.223 -0.322 0.000 2.093 377 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 377 L C 2.154 178.868 176.870 -0.261 0.000 1.085 377 L CA 1.757 56.397 54.840 -0.333 0.000 0.755 377 L CB -0.410 41.583 42.059 -0.110 0.000 0.904 377 L HN 0.256 nan 8.230 nan 0.000 0.435 378 E N -0.903 119.196 120.200 -0.168 0.000 2.318 378 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 378 E C 1.933 178.497 176.600 -0.060 0.000 0.998 378 E CA 1.111 57.468 56.400 -0.073 0.000 0.859 378 E CB 0.245 29.969 29.700 0.039 0.000 0.812 378 E HN 0.439 nan 8.360 nan 0.000 0.492 379 S N -1.956 113.669 115.700 -0.125 0.000 2.604 379 S HA 0.295 4.765 4.470 -0.000 0.000 0.235 379 S C 1.565 176.204 174.600 0.064 0.000 1.043 379 S CA 0.340 58.576 58.200 0.060 0.000 0.997 379 S CB 1.073 64.358 63.200 0.142 0.000 0.956 379 S HN 0.283 nan 8.310 nan 0.000 0.535 380 G N 0.464 109.104 108.800 -0.266 0.000 2.199 380 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 380 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 380 G C -0.129 174.431 174.900 -0.567 0.000 0.982 380 G CA 0.388 45.169 45.100 -0.533 0.000 0.632 380 G HN 0.544 nan 8.290 nan 0.000 0.529 381 F N -0.619 119.290 119.950 -0.068 0.000 2.588 381 F HA 0.734 5.261 4.527 -0.000 0.000 0.310 381 F C 0.163 176.033 175.800 0.118 0.000 1.082 381 F CA -1.404 56.659 58.000 0.105 0.000 0.929 381 F CB 1.192 40.240 39.000 0.080 0.000 1.254 381 F HN -0.060 nan 8.300 nan 0.000 0.455 382 F N 3.711 123.900 119.950 0.400 0.000 2.506 382 F HA 0.284 4.811 4.527 -0.000 0.000 0.351 382 F C -1.769 174.237 175.800 0.344 0.000 1.136 382 F CA -1.930 56.236 58.000 0.276 0.000 1.298 382 F CB -0.126 38.957 39.000 0.138 0.000 1.145 382 F HN 0.120 nan 8.300 nan 0.000 0.593 383 P HA 0.169 nan 4.420 nan 0.000 0.276 383 P C -0.420 177.028 177.300 0.246 0.000 1.252 383 P CA -0.157 63.201 63.100 0.430 0.000 0.802 383 P CB 1.759 33.620 31.700 0.267 0.000 1.035 384 E N 0.117 120.389 120.200 0.120 0.000 2.476 384 E HA 0.100 4.450 4.350 -0.000 0.000 0.193 384 E C -0.253 176.236 176.600 -0.185 0.000 0.966 384 E CA 0.752 57.186 56.400 0.055 0.000 1.114 384 E CB -0.154 29.672 29.700 0.210 0.000 1.151 384 E HN 0.482 nan 8.360 nan 0.000 0.487 385 W N 0.903 122.180 121.300 -0.038 0.000 2.417 385 W HA 0.582 5.242 4.660 -0.000 0.000 0.315 385 W C -0.820 175.682 176.519 -0.029 0.000 1.045 385 W CA -0.347 56.972 57.345 -0.043 0.000 1.221 385 W CB 1.537 31.002 29.460 0.009 0.000 1.309 385 W HN 0.010 nan 8.180 nan 0.000 0.453 386 A N 3.220 126.229 122.820 0.314 0.000 2.359 386 A HA 0.688 5.007 4.320 -0.000 0.000 0.303 386 A C -0.850 176.859 177.584 0.208 0.000 1.066 386 A CA -0.529 51.617 52.037 0.183 0.000 0.730 386 A CB 1.805 20.846 19.000 0.068 0.000 1.211 386 A HN 0.312 nan 8.150 nan 0.000 0.439 387 S N 3.927 119.644 115.700 0.030 0.000 2.548 387 S HA 0.452 4.922 4.470 -0.000 0.000 0.168 387 S C -2.425 171.936 174.600 -0.398 0.000 1.068 387 S CA -0.499 57.673 58.200 -0.046 0.000 1.129 387 S CB 1.097 64.407 63.200 0.183 0.000 1.435 387 S HN 0.509 nan 8.310 nan 0.000 0.410 388 P HA 0.225 nan 4.420 nan 0.000 0.226 388 P C 1.028 177.854 177.300 -0.790 0.000 1.161 388 P CA 0.443 63.034 63.100 -0.849 0.000 0.804 388 P CB -0.001 30.911 31.700 -1.313 0.000 0.829 389 G N -0.172 108.157 108.800 -0.786 0.000 2.525 389 G HA2 0.146 4.106 3.960 -0.000 0.000 0.287 389 G HA3 0.146 4.106 3.960 -0.000 0.000 0.287 389 G C -0.450 174.217 174.900 -0.389 0.000 1.350 389 G CA -0.352 44.210 45.100 -0.897 0.000 1.039 389 G HN 0.126 nan 8.290 nan 0.000 0.513 390 H N 0.700 119.712 119.070 -0.098 0.000 2.964 390 H HA 0.186 4.742 4.556 -0.000 0.000 0.328 390 H C 0.383 175.644 175.328 -0.112 0.000 1.030 390 H CA 0.536 56.563 56.048 -0.034 0.000 1.445 390 H CB 0.498 30.177 29.762 -0.139 0.000 1.449 390 H HN 0.152 nan 8.280 nan 0.000 0.581 391 R N 1.458 122.009 120.500 0.084 0.000 2.686 391 R HA 0.309 4.649 4.340 -0.000 0.000 0.286 391 R C 0.264 176.563 176.300 -0.003 0.000 0.969 391 R CA -0.971 55.128 56.100 -0.002 0.000 0.898 391 R CB 2.068 32.343 30.300 -0.043 0.000 1.183 391 R HN 0.769 nan 8.270 nan 0.000 0.456 392 G N 0.832 109.599 108.800 -0.054 0.000 2.444 392 G HA2 0.388 4.348 3.960 -0.000 0.000 0.303 392 G HA3 0.388 4.348 3.960 -0.000 0.000 0.303 392 G C -0.225 174.627 174.900 -0.080 0.000 1.032 392 G CA -0.051 45.022 45.100 -0.046 0.000 1.137 392 G HN 0.542 nan 8.290 nan 0.000 0.430 396 G N 0.793 109.782 108.800 0.314 0.000 2.655 396 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.680 396 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.680 396 G C -0.344 174.814 174.900 0.430 0.000 1.302 396 G CA 0.164 45.508 45.100 0.406 0.000 0.872 396 G HN 2.097 nan 8.290 nan 0.000 0.540 397 N N 0.142 119.064 118.700 0.371 0.000 2.541 397 N HA 0.102 4.842 4.740 -0.000 0.000 0.297 397 N C 0.852 176.401 175.510 0.066 0.000 1.503 397 N CA -0.358 52.805 53.050 0.187 0.000 0.919 397 N CB -0.187 38.322 38.487 0.036 0.000 1.305 397 N HN 0.428 nan 8.380 nan 0.000 0.501 398 N N 0.256 119.017 118.700 0.102 0.000 2.515 398 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 398 N C 1.739 177.133 175.510 -0.194 0.000 1.109 398 N CA 0.458 53.441 53.050 -0.111 0.000 0.903 398 N CB 0.248 38.674 38.487 -0.101 0.000 0.969 398 N HN 0.425 nan 8.380 nan 0.000 0.450 399 S N 0.704 116.374 115.700 -0.049 0.000 2.402 399 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 399 S C 2.137 176.446 174.600 -0.485 0.000 1.030 399 S CA 1.018 59.014 58.200 -0.340 0.000 1.003 399 S CB -0.302 62.915 63.200 0.029 0.000 0.813 399 S HN 0.327 nan 8.310 nan 0.000 0.477 400 A N 1.595 124.198 122.820 -0.362 0.000 1.902 400 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 400 A C 2.466 179.768 177.584 -0.468 0.000 1.181 400 A CA 1.934 53.718 52.037 -0.422 0.000 0.623 400 A CB -1.350 17.427 19.000 -0.372 0.000 0.818 400 A HN 0.611 nan 8.150 nan 0.000 0.443 401 S N -0.493 114.921 115.700 -0.477 0.000 2.355 401 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 401 S C 1.950 176.336 174.600 -0.357 0.000 1.031 401 S CA 1.328 59.284 58.200 -0.407 0.000 0.993 401 S CB -0.451 62.544 63.200 -0.342 0.000 0.859 401 S HN 0.365 nan 8.310 nan 0.000 0.453 402 I N 1.978 122.245 120.570 -0.505 0.000 2.091 402 I HA -0.186 3.983 4.170 -0.000 0.000 0.239 402 I C 2.436 178.248 176.117 -0.508 0.000 1.061 402 I CA 1.442 62.353 61.300 -0.649 0.000 1.317 402 I CB -1.673 35.579 38.000 -1.246 0.000 1.031 402 I HN 0.363 nan 8.210 nan 0.000 0.401 403 L N -0.043 120.844 121.223 -0.561 0.000 2.012 403 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 403 L C 2.633 179.320 176.870 -0.305 0.000 1.073 403 L CA 1.082 55.644 54.840 -0.464 0.000 0.748 403 L CB -0.699 40.988 42.059 -0.620 0.000 0.891 403 L HN 0.053 nan 8.230 nan 0.000 0.431 404 V N -0.464 119.256 119.914 -0.324 0.000 2.453 404 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 404 V C 2.097 178.085 176.094 -0.176 0.000 1.048 404 V CA 1.860 64.006 62.300 -0.257 0.000 1.049 404 V CB -0.416 31.198 31.823 -0.347 0.000 0.672 404 V HN 0.457 nan 8.190 nan 0.000 0.457 405 D N 0.470 120.760 120.400 -0.184 0.000 2.144 405 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 405 D C 2.115 178.340 176.300 -0.124 0.000 0.984 405 D CA 1.502 55.420 54.000 -0.136 0.000 0.834 405 D CB -0.071 40.671 40.800 -0.098 0.000 0.955 405 D HN 0.363 nan 8.370 nan 0.000 0.465 406 A N -0.613 122.141 122.820 -0.111 0.000 1.858 406 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 406 A C 1.282 178.823 177.584 -0.071 0.000 1.190 406 A CA 0.901 52.891 52.037 -0.078 0.000 0.617 406 A CB -1.183 17.772 19.000 -0.076 0.000 0.827 406 A HN 0.446 nan 8.150 nan 0.000 0.443 410 G N 0.793 109.483 108.800 -0.183 0.000 2.157 410 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 410 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 410 G C -0.091 174.734 174.900 -0.124 0.000 0.979 410 G CA 0.232 45.240 45.100 -0.153 0.000 0.650 410 G HN 0.092 nan 8.290 nan 0.000 0.529 411 V N 1.312 121.154 119.914 -0.121 0.000 2.304 411 V HA 0.415 4.535 4.120 -0.000 0.000 0.262 411 V C 0.412 176.441 176.094 -0.108 0.000 1.061 411 V CA -0.082 62.174 62.300 -0.075 0.000 0.872 411 V CB 0.942 32.746 31.823 -0.031 0.000 1.077 411 V HN 0.303 nan 8.190 nan 0.000 0.480 412 K N 3.826 124.154 120.400 -0.120 0.000 2.425 412 K HA 0.521 4.841 4.320 -0.000 0.000 0.259 412 K C -0.142 176.467 176.600 0.016 0.000 0.978 412 K CA -0.627 55.595 56.287 -0.109 0.000 0.883 412 K CB 2.189 34.526 32.500 -0.273 0.000 1.110 412 K HN 0.574 nan 8.250 nan 0.000 0.436 413 V N -0.234 119.729 119.914 0.082 0.000 3.139 413 V HA -0.029 4.091 4.120 -0.000 0.000 0.307 413 V C 0.729 176.875 176.094 0.088 0.000 1.095 413 V CA 0.055 62.404 62.300 0.081 0.000 1.160 413 V CB 0.651 32.528 31.823 0.090 0.000 1.003 413 V HN 0.665 nan 8.190 nan 0.000 0.489 414 D N 0.541 120.989 120.400 0.080 0.000 2.144 414 D HA -0.049 4.591 4.640 -0.000 0.000 0.200 414 D C 0.762 177.103 176.300 0.070 0.000 0.978 414 D CA 1.870 55.912 54.000 0.069 0.000 0.833 414 D CB -0.087 40.752 40.800 0.066 0.000 0.961 414 D HN 0.881 nan 8.370 nan 0.000 0.470 415 D N -0.125 120.321 120.400 0.076 0.000 2.505 415 D HA 0.167 4.807 4.640 -0.000 0.000 0.242 415 D C 1.095 177.433 176.300 0.062 0.000 1.136 415 D CA -0.281 53.758 54.000 0.066 0.000 0.954 415 D CB -0.070 40.772 40.800 0.069 0.000 1.002 415 D HN 0.005 nan 8.370 nan 0.000 0.512 416 I N 1.691 122.292 120.570 0.052 0.000 2.493 416 I HA -0.163 4.007 4.170 -0.000 0.000 0.254 416 I C 2.408 178.524 176.117 -0.001 0.000 1.160 416 I CA 0.623 61.932 61.300 0.016 0.000 1.445 416 I CB 0.055 38.055 38.000 -0.000 0.000 1.086 416 I HN 0.258 nan 8.210 nan 0.000 0.433 417 K N 0.919 121.326 120.400 0.011 0.000 2.002 417 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 417 K C 2.076 178.701 176.600 0.041 0.000 1.048 417 K CA 2.027 58.325 56.287 0.018 0.000 0.930 417 K CB -0.142 32.365 32.500 0.012 0.000 0.714 417 K HN 0.185 nan 8.250 nan 0.000 0.438 418 T N 2.990 117.570 114.554 0.044 0.000 2.746 418 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 418 T C 1.629 176.321 174.700 -0.013 0.000 1.039 418 T CA 1.100 63.229 62.100 0.048 0.000 1.142 418 T CB -0.246 68.680 68.868 0.096 0.000 0.866 418 T HN 0.165 nan 8.240 nan 0.000 0.444 419 L N 0.514 121.762 121.223 0.043 0.000 1.990 419 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 419 L C 2.126 178.987 176.870 -0.015 0.000 1.072 419 L CA 2.112 56.991 54.840 0.064 0.000 0.755 419 L CB -1.419 40.642 42.059 0.004 0.000 0.889 419 L HN 0.305 nan 8.230 nan 0.000 0.432 420 Y N 1.008 121.218 120.300 -0.149 0.000 2.181 420 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 420 Y C 2.655 178.459 175.900 -0.161 0.000 1.146 420 Y CA 2.145 60.135 58.100 -0.183 0.000 1.164 420 Y CB -0.119 38.229 38.460 -0.186 0.000 0.982 420 Y HN 0.384 nan 8.280 nan 0.000 0.515 421 E N -0.824 119.332 120.200 -0.073 0.000 2.085 421 E HA -0.211 4.138 4.350 -0.000 0.000 0.194 421 E C 2.372 178.784 176.600 -0.314 0.000 0.994 421 E CA 1.081 57.402 56.400 -0.132 0.000 0.801 421 E CB -0.547 29.135 29.700 -0.029 0.000 0.743 421 E HN 0.632 nan 8.360 nan 0.000 0.453 422 G N 0.823 109.248 108.800 -0.624 0.000 2.408 422 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 422 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 422 G C 1.544 176.232 174.900 -0.353 0.000 1.150 422 G CA 0.316 44.712 45.100 -1.172 0.000 0.776 422 G HN 0.080 nan 8.290 nan 0.000 0.542 423 L N 0.365 121.480 121.223 -0.181 0.000 2.017 423 L HA -0.063 4.276 4.340 -0.000 0.000 0.208 423 L C 2.811 179.494 176.870 -0.311 0.000 1.073 423 L CA 0.535 55.234 54.840 -0.235 0.000 0.745 423 L CB -0.356 41.430 42.059 -0.455 0.000 0.894 423 L HN 0.103 nan 8.230 nan 0.000 0.432 424 I N -0.543 119.776 120.570 -0.419 0.000 2.226 424 I HA -0.339 3.831 4.170 -0.000 0.000 0.245 424 I C 2.591 178.610 176.117 -0.163 0.000 1.100 424 I CA 1.615 62.748 61.300 -0.279 0.000 1.374 424 I CB -1.592 36.255 38.000 -0.255 0.000 1.057 424 I HN 0.440 nan 8.210 nan 0.000 0.413 425 H N 1.365 120.287 119.070 -0.246 0.000 2.387 425 H HA -0.149 4.406 4.556 -0.000 0.000 0.299 425 H C 2.088 177.271 175.328 -0.241 0.000 1.099 425 H CA 1.912 57.816 56.048 -0.240 0.000 1.315 425 H CB -0.091 29.529 29.762 -0.236 0.000 1.380 425 H HN 0.324 nan 8.280 nan 0.000 0.513 426 G N -0.401 108.342 108.800 -0.095 0.000 2.484 426 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 426 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 426 G C 1.833 176.635 174.900 -0.164 0.000 1.130 426 G CA 1.157 46.233 45.100 -0.038 0.000 0.784 426 G HN 0.611 nan 8.290 nan 0.000 0.543 427 T N -0.857 113.579 114.554 -0.196 0.000 3.055 427 T HA 0.058 4.408 4.350 -0.000 0.000 0.265 427 T C 1.400 175.925 174.700 -0.292 0.000 1.111 427 T CA 1.239 63.231 62.100 -0.180 0.000 1.118 427 T CB -0.062 68.810 68.868 0.006 0.000 0.909 427 T HN 0.578 nan 8.240 nan 0.000 0.501 428 E N 0.388 120.289 120.200 -0.499 0.000 2.968 428 E HA 0.345 4.694 4.350 -0.000 0.000 0.202 428 E C -0.529 175.243 176.600 -1.381 0.000 0.979 428 E CA -0.804 55.053 56.400 -0.905 0.000 1.192 428 E CB 0.261 29.701 29.700 -0.432 0.000 1.059 428 E HN 0.258 nan 8.360 nan 0.000 0.470 429 N N 0.635 118.720 118.700 -1.025 0.000 2.484 429 N HA 0.322 5.062 4.740 -0.000 0.000 0.269 429 N C -1.981 173.525 175.510 -0.007 0.000 1.237 429 N CA -0.553 52.184 53.050 -0.523 0.000 0.838 429 N CB 2.896 41.034 38.487 -0.581 0.000 1.593 429 N HN 0.009 nan 8.380 nan 0.000 0.485 430 V N 1.027 121.071 119.914 0.217 0.000 2.735 430 V HA 0.288 4.408 4.120 -0.000 0.000 0.310 430 V C -0.573 175.559 176.094 0.064 0.000 1.061 430 V CA -0.539 61.866 62.300 0.174 0.000 0.913 430 V CB 1.640 33.575 31.823 0.188 0.000 1.005 430 V HN 0.824 nan 8.190 nan 0.000 0.428 431 H N 8.253 127.011 119.070 -0.520 0.000 2.928 431 H HA 0.265 4.821 4.556 -0.000 0.000 0.338 431 H C -1.610 173.613 175.328 -0.176 0.000 1.047 431 H CA -0.463 55.213 56.048 -0.621 0.000 1.435 431 H CB 1.615 30.813 29.762 -0.940 0.000 1.428 431 H HN 0.494 nan 8.280 nan 0.000 0.590 432 P HA -0.078 nan 4.420 nan 0.000 0.229 432 P C 0.153 177.497 177.300 0.072 0.000 1.160 432 P CA 0.918 63.993 63.100 -0.042 0.000 0.777 432 P CB 0.603 32.249 31.700 -0.090 0.000 0.814 433 E N -0.746 119.622 120.200 0.280 0.000 2.434 433 E HA 0.138 4.487 4.350 -0.000 0.000 0.207 433 E C 0.285 176.963 176.600 0.131 0.000 0.929 433 E CA 0.340 56.869 56.400 0.215 0.000 1.001 433 E CB 0.840 30.681 29.700 0.234 0.000 1.016 433 E HN 0.080 nan 8.360 nan 0.000 0.502 434 V N 3.058 123.042 119.914 0.116 0.000 2.357 434 V HA 0.065 4.185 4.120 -0.000 0.000 0.281 434 V C 1.151 177.202 176.094 -0.072 0.000 1.015 434 V CA -0.085 62.159 62.300 -0.094 0.000 0.827 434 V CB 1.313 32.935 31.823 -0.335 0.000 1.018 434 V HN 0.146 nan 8.190 nan 0.000 0.432 435 S N 2.273 117.964 115.700 -0.015 0.000 2.474 435 S HA -0.119 4.350 4.470 -0.000 0.000 0.235 435 S C 1.710 176.322 174.600 0.019 0.000 0.997 435 S CA 1.127 59.335 58.200 0.012 0.000 0.949 435 S CB -0.183 63.036 63.200 0.030 0.000 0.766 435 S HN 0.885 nan 8.310 nan 0.000 0.517 436 S N 0.130 115.833 115.700 0.005 0.000 2.593 436 S HA 0.164 4.634 4.470 -0.000 0.000 0.217 436 S C 0.397 175.019 174.600 0.036 0.000 0.966 436 S CA -0.330 57.902 58.200 0.054 0.000 0.914 436 S CB -0.411 62.838 63.200 0.082 0.000 0.776 436 S HN 0.396 nan 8.310 nan 0.000 0.523 437 T N 2.523 117.020 114.554 -0.096 0.000 2.771 437 T HA 0.658 5.008 4.350 -0.000 0.000 0.281 437 T C 0.665 175.225 174.700 -0.233 0.000 0.982 437 T CA 0.249 62.219 62.100 -0.218 0.000 0.978 437 T CB 0.942 69.454 68.868 -0.594 0.000 0.930 437 T HN 0.759 nan 8.240 nan 0.000 0.447 438 G N 3.100 111.916 108.800 0.026 0.000 2.642 438 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.231 438 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.231 438 G C -0.717 174.248 174.900 0.108 0.000 1.338 438 G CA -0.800 44.420 45.100 0.200 0.000 0.883 438 G HN 0.777 nan 8.290 nan 0.000 0.570 439 R N -0.271 120.270 120.500 0.068 0.000 2.332 439 R HA 0.387 4.727 4.340 -0.000 0.000 0.306 439 R C 0.073 176.513 176.300 0.233 0.000 1.117 439 R CA -0.820 55.296 56.100 0.026 0.000 1.108 439 R CB 1.029 31.119 30.300 -0.351 0.000 1.126 439 R HN 0.535 nan 8.270 nan 0.000 0.548 440 L N 2.112 123.497 121.223 0.270 0.000 2.559 440 L HA 0.108 4.447 4.340 -0.000 0.000 0.274 440 L C 1.146 178.194 176.870 0.296 0.000 1.205 440 L CA 1.665 56.653 54.840 0.246 0.000 0.907 440 L CB 0.513 42.675 42.059 0.172 0.000 1.153 440 L HN 0.919 nan 8.230 nan 0.000 0.490 441 G N 3.440 112.376 108.800 0.226 0.000 2.136 441 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.242 441 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.242 441 G C 0.518 175.560 174.900 0.237 0.000 0.989 441 G CA 0.735 45.985 45.100 0.251 0.000 0.682 441 G HN 1.125 nan 8.290 nan 0.000 0.522 442 Y N -0.224 120.173 120.300 0.161 0.000 2.274 442 Y HA 0.170 4.720 4.550 -0.000 0.000 0.290 442 Y C 2.159 178.128 175.900 0.115 0.000 1.145 442 Y CA 1.661 59.824 58.100 0.105 0.000 1.203 442 Y CB -0.436 38.011 38.460 -0.022 0.000 0.984 442 Y HN 0.347 nan 8.280 nan 0.000 0.533 443 E N 0.446 120.211 120.200 -0.726 0.000 2.038 443 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 443 E C 1.829 178.259 176.600 -0.283 0.000 1.000 443 E CA 2.151 58.214 56.400 -0.562 0.000 0.803 443 E CB -0.658 28.581 29.700 -0.769 0.000 0.750 443 E HN 0.640 nan 8.360 nan 0.000 0.448 444 Y N -0.973 119.239 120.300 -0.147 0.000 2.181 444 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 444 Y C 2.270 178.114 175.900 -0.094 0.000 1.146 444 Y CA 1.510 59.531 58.100 -0.132 0.000 1.164 444 Y CB -0.618 37.766 38.460 -0.126 0.000 0.982 444 Y HN 0.168 nan 8.280 nan 0.000 0.515 445 Y N 0.943 121.301 120.300 0.097 0.000 2.200 445 Y HA -0.230 4.320 4.550 -0.000 0.000 0.290 445 Y C 1.869 177.803 175.900 0.056 0.000 1.137 445 Y CA 1.889 60.053 58.100 0.107 0.000 1.163 445 Y CB -0.708 37.913 38.460 0.269 0.000 0.988 445 Y HN 0.150 nan 8.280 nan 0.000 0.518 446 N N -0.252 118.526 118.700 0.130 0.000 2.244 446 N HA -0.159 4.581 4.740 -0.000 0.000 0.183 446 N C 1.756 177.216 175.510 -0.084 0.000 1.016 446 N CA 1.046 54.107 53.050 0.017 0.000 0.866 446 N CB -0.107 38.445 38.487 0.108 0.000 0.980 446 N HN 0.313 nan 8.380 nan 0.000 0.430 447 K N 0.774 121.119 120.400 -0.093 0.000 2.128 447 K HA 0.100 4.420 4.320 -0.000 0.000 0.202 447 K C 1.497 178.017 176.600 -0.133 0.000 1.050 447 K CA 0.583 56.804 56.287 -0.111 0.000 0.966 447 K CB 0.323 32.751 32.500 -0.121 0.000 0.759 447 K HN 0.088 nan 8.250 nan 0.000 0.454 448 L N -1.675 119.434 121.223 -0.189 0.000 2.609 448 L HA 0.321 4.661 4.340 -0.000 0.000 0.230 448 L C 1.062 177.810 176.870 -0.204 0.000 1.087 448 L CA 0.383 55.076 54.840 -0.246 0.000 0.874 448 L CB 0.781 42.540 42.059 -0.499 0.000 1.114 448 L HN 0.447 nan 8.230 nan 0.000 0.488 449 G N 0.461 109.108 108.800 -0.254 0.000 2.157 449 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.239 449 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.239 449 G C -0.036 174.852 174.900 -0.020 0.000 0.982 449 G CA 0.240 45.214 45.100 -0.210 0.000 0.650 449 G HN 0.473 nan 8.290 nan 0.000 0.527 450 Y N -3.023 117.251 120.300 -0.042 0.000 2.662 450 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 450 Y C -0.539 175.486 175.900 0.208 0.000 1.185 450 Y CA -1.675 56.513 58.100 0.147 0.000 1.074 450 Y CB 0.765 39.262 38.460 0.061 0.000 1.330 450 Y HN 0.422 nan 8.280 nan 0.000 0.458 451 V N 3.621 123.731 119.914 0.326 0.000 2.408 451 V HA 0.372 4.492 4.120 -0.000 0.000 0.267 451 V C -2.165 174.012 176.094 0.137 0.000 1.047 451 V CA -1.672 60.717 62.300 0.148 0.000 0.937 451 V CB 0.573 32.479 31.823 0.138 0.000 0.999 451 V HN 0.597 nan 8.190 nan 0.000 0.472 452 P HA 0.050 nan 4.420 nan 0.000 0.271 452 P C 0.163 177.483 177.300 0.033 0.000 1.233 452 P CA -0.033 63.128 63.100 0.101 0.000 0.789 452 P CB 0.572 32.197 31.700 -0.124 0.000 0.951 453 Y N 1.498 121.776 120.300 -0.038 0.000 2.475 453 Y HA -0.058 4.492 4.550 -0.000 0.000 0.289 453 Y C 0.825 176.679 175.900 -0.078 0.000 1.121 453 Y CA 1.095 59.149 58.100 -0.076 0.000 1.257 453 Y CB 0.135 38.556 38.460 -0.065 0.000 1.026 453 Y HN 0.260 nan 8.280 nan 0.000 0.555 454 D N -0.155 120.226 120.400 -0.031 0.000 2.670 454 D HA 0.055 4.695 4.640 -0.000 0.000 0.255 454 D C 0.322 176.545 176.300 -0.127 0.000 1.286 454 D CA 0.313 54.266 54.000 -0.079 0.000 0.830 454 D CB -0.472 40.352 40.800 0.039 0.000 1.065 454 D HN 0.227 nan 8.370 nan 0.000 0.486 455 V N -3.039 116.750 119.914 -0.208 0.000 3.085 455 V HA 0.418 4.538 4.120 -0.000 0.000 0.345 455 V C 0.437 176.436 176.094 -0.159 0.000 1.397 455 V CA -0.831 61.330 62.300 -0.231 0.000 1.165 455 V CB -0.529 30.966 31.823 -0.546 0.000 1.153 455 V HN 0.044 nan 8.190 nan 0.000 0.495 456 K N 0.026 120.341 120.400 -0.142 0.000 3.281 456 K HA -0.152 4.167 4.320 -0.000 0.000 0.295 456 K C -0.216 176.331 176.600 -0.088 0.000 1.233 456 K CA 1.258 57.485 56.287 -0.100 0.000 0.866 456 K CB -1.838 30.630 32.500 -0.053 0.000 1.265 456 K HN 0.743 nan 8.250 nan 0.000 0.482 457 I N 1.767 122.265 120.570 -0.121 0.000 2.359 457 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 457 I C 0.277 176.324 176.117 -0.117 0.000 1.018 457 I CA -0.922 60.326 61.300 -0.086 0.000 1.173 457 I CB 1.037 38.997 38.000 -0.065 0.000 1.326 457 I HN 0.077 nan 8.210 nan 0.000 0.462 458 N N 4.867 123.514 118.700 -0.088 0.000 2.415 458 N HA 0.038 4.778 4.740 -0.000 0.000 0.248 458 N C 0.386 175.819 175.510 -0.127 0.000 1.271 458 N CA 0.198 53.185 53.050 -0.106 0.000 0.913 458 N CB 0.448 38.929 38.487 -0.011 0.000 1.129 458 N HN 0.474 nan 8.380 nan 0.000 0.444 459 E N -1.046 119.042 120.200 -0.187 0.000 2.791 459 E HA -0.224 4.125 4.350 -0.000 0.000 0.271 459 E C 0.661 177.134 176.600 -0.211 0.000 1.044 459 E CA 0.680 56.961 56.400 -0.198 0.000 0.814 459 E CB -1.768 27.855 29.700 -0.128 0.000 1.400 459 E HN 0.693 nan 8.360 nan 0.000 0.423 460 N N -0.333 118.245 118.700 -0.203 0.000 2.223 460 N HA -0.168 4.571 4.740 -0.000 0.000 0.185 460 N C 1.727 177.143 175.510 -0.157 0.000 1.016 460 N CA 1.423 54.386 53.050 -0.145 0.000 0.863 460 N CB -0.099 38.332 38.487 -0.093 0.000 0.983 460 N HN 0.309 nan 8.380 nan 0.000 0.429 461 A N 1.318 123.964 122.820 -0.289 0.000 1.930 461 A HA 0.342 4.662 4.320 -0.000 0.000 0.215 461 A C 2.553 180.002 177.584 -0.225 0.000 1.176 461 A CA 1.168 53.045 52.037 -0.267 0.000 0.632 461 A CB -0.721 17.953 19.000 -0.542 0.000 0.819 461 A HN 0.406 nan 8.150 nan 0.000 0.445 462 A N 0.520 123.104 122.820 -0.394 0.000 1.873 462 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 462 A C 2.227 179.692 177.584 -0.198 0.000 1.193 462 A CA 1.760 53.477 52.037 -0.534 0.000 0.629 462 A CB -0.584 18.069 19.000 -0.578 0.000 0.826 462 A HN 0.552 nan 8.150 nan 0.000 0.447 463 R N -1.073 119.271 120.500 -0.260 0.000 2.103 463 R HA -0.118 4.222 4.340 -0.000 0.000 0.242 463 R C 2.268 178.169 176.300 -0.665 0.000 1.142 463 R CA 1.904 57.684 56.100 -0.532 0.000 0.960 463 R CB -0.911 29.049 30.300 -0.566 0.000 0.858 463 R HN 0.557 nan 8.270 nan 0.000 0.439 464 T N 1.483 115.901 114.554 -0.228 0.000 2.821 464 T HA -0.047 4.302 4.350 -0.000 0.000 0.267 464 T C 1.907 176.749 174.700 0.236 0.000 1.046 464 T CA 0.967 63.122 62.100 0.092 0.000 1.139 464 T CB -0.089 68.948 68.868 0.281 0.000 0.871 464 T HN 0.115 nan 8.240 nan 0.000 0.454 465 L N 0.585 121.933 121.223 0.209 0.000 2.056 465 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 465 L C 2.726 179.838 176.870 0.403 0.000 1.078 465 L CA 1.342 56.389 54.840 0.346 0.000 0.749 465 L CB -0.470 41.800 42.059 0.352 0.000 0.901 465 L HN 0.287 nan 8.230 nan 0.000 0.433 466 E N -0.844 119.557 120.200 0.336 0.000 2.107 466 E HA -0.191 4.158 4.350 -0.000 0.000 0.191 466 E C 2.175 178.999 176.600 0.373 0.000 0.982 466 E CA 0.898 57.538 56.400 0.400 0.000 0.809 466 E CB -0.063 29.876 29.700 0.398 0.000 0.756 466 E HN 0.409 nan 8.360 nan 0.000 0.459 467 Y N 0.805 121.189 120.300 0.140 0.000 2.207 467 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 467 Y C 2.414 178.412 175.900 0.163 0.000 1.156 467 Y CA 0.670 58.755 58.100 -0.025 0.000 1.182 467 Y CB -1.115 37.025 38.460 -0.535 0.000 0.979 467 Y HN 0.039 nan 8.280 nan 0.000 0.521 468 A N -0.642 122.491 122.820 0.522 0.000 1.898 468 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 468 A C 2.169 179.946 177.584 0.322 0.000 1.181 468 A CA 1.610 53.976 52.037 0.547 0.000 0.620 468 A CB -1.357 18.045 19.000 0.671 0.000 0.819 468 A HN 0.510 nan 8.150 nan 0.000 0.442 469 Y N 1.394 121.797 120.300 0.173 0.000 2.200 469 Y HA -0.173 4.377 4.550 -0.000 0.000 0.290 469 Y C 1.656 177.543 175.900 -0.021 0.000 1.137 469 Y CA 1.782 59.819 58.100 -0.106 0.000 1.163 469 Y CB -0.319 38.265 38.460 0.207 0.000 0.988 469 Y HN 0.342 nan 8.280 nan 0.000 0.518 470 D N 0.247 120.533 120.400 -0.191 0.000 2.178 470 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 470 D C 1.622 177.776 176.300 -0.244 0.000 0.980 470 D CA 1.584 55.381 54.000 -0.338 0.000 0.842 470 D CB -0.280 40.449 40.800 -0.119 0.000 0.948 470 D HN 0.467 nan 8.370 nan 0.000 0.472 471 D N -0.581 119.808 120.400 -0.018 0.000 2.149 471 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 471 D C 1.838 178.158 176.300 0.033 0.000 0.972 471 D CA 0.317 54.383 54.000 0.111 0.000 0.835 471 D CB -0.383 40.647 40.800 0.383 0.000 0.966 471 D HN 0.328 nan 8.370 nan 0.000 0.476 472 W N 1.322 122.471 121.300 -0.252 0.000 2.342 472 W HA -0.265 4.395 4.660 -0.000 0.000 0.297 472 W C 2.199 178.550 176.519 -0.279 0.000 1.213 472 W CA 1.147 58.293 57.345 -0.333 0.000 1.251 472 W CB -0.382 28.716 29.460 -0.603 0.000 1.136 472 W HN -0.043 nan 8.180 nan 0.000 0.526 473 C N 0.357 119.404 119.300 -0.422 0.000 2.432 473 C HA -0.208 4.252 4.460 -0.000 0.000 0.277 473 C C 2.698 177.323 174.990 -0.609 0.000 1.249 473 C CA 1.336 59.976 59.018 -0.630 0.000 1.725 473 C CB -1.485 25.910 27.740 -0.574 0.000 2.028 473 C HN 0.367 nan 8.230 nan 0.000 0.477 474 I N -0.000 120.249 120.570 -0.535 0.000 2.264 474 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 474 I C 2.481 178.295 176.117 -0.507 0.000 1.111 474 I CA 1.977 62.905 61.300 -0.620 0.000 1.382 474 I CB -0.670 36.747 38.000 -0.971 0.000 1.060 474 I HN 0.454 nan 8.210 nan 0.000 0.418 475 Y N 1.960 121.964 120.300 -0.492 0.000 2.181 475 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 475 Y C 2.730 178.381 175.900 -0.415 0.000 1.146 475 Y CA 1.424 59.340 58.100 -0.307 0.000 1.164 475 Y CB -0.194 38.119 38.460 -0.246 0.000 0.982 475 Y HN -0.063 nan 8.280 nan 0.000 0.515 476 R N 0.219 120.215 120.500 -0.842 0.000 2.080 476 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 476 R C 2.251 178.184 176.300 -0.612 0.000 1.137 476 R CA 1.640 57.203 56.100 -0.894 0.000 0.943 476 R CB -1.210 28.481 30.300 -1.015 0.000 0.846 476 R HN 0.448 nan 8.270 nan 0.000 0.431 477 L N 0.773 121.694 121.223 -0.504 0.000 2.093 477 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 477 L C 2.266 178.928 176.870 -0.347 0.000 1.085 477 L CA 1.853 56.457 54.840 -0.394 0.000 0.755 477 L CB -0.709 41.131 42.059 -0.366 0.000 0.904 477 L HN 0.144 nan 8.230 nan 0.000 0.435 478 A N -0.431 122.219 122.820 -0.283 0.000 1.908 478 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 478 A C 2.461 179.872 177.584 -0.288 0.000 1.181 478 A CA 2.089 53.985 52.037 -0.235 0.000 0.627 478 A CB -0.622 18.353 19.000 -0.041 0.000 0.818 478 A HN 0.523 nan 8.150 nan 0.000 0.445 479 K N -0.291 119.889 120.400 -0.367 0.000 2.062 479 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 479 K C 1.975 178.425 176.600 -0.250 0.000 1.051 479 K CA 1.656 57.750 56.287 -0.322 0.000 0.941 479 K CB -0.144 32.061 32.500 -0.490 0.000 0.719 479 K HN 0.383 nan 8.250 nan 0.000 0.440 480 E N 0.628 120.666 120.200 -0.271 0.000 2.110 480 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 480 E C 1.437 177.934 176.600 -0.172 0.000 0.988 480 E CA 1.026 57.317 56.400 -0.182 0.000 0.804 480 E CB -0.069 29.541 29.700 -0.150 0.000 0.745 480 E HN 0.239 nan 8.360 nan 0.000 0.458 481 L N 0.483 121.553 121.223 -0.256 0.000 2.599 481 L HA 0.173 4.513 4.340 -0.000 0.000 0.230 481 L C 0.286 177.020 176.870 -0.226 0.000 1.141 481 L CA 0.555 55.232 54.840 -0.271 0.000 0.877 481 L CB -0.686 41.114 42.059 -0.431 0.000 1.009 481 L HN 0.079 nan 8.230 nan 0.000 0.447 482 K N -0.120 120.168 120.400 -0.187 0.000 3.096 482 K HA -0.192 4.128 4.320 -0.000 0.000 0.266 482 K C 0.129 176.634 176.600 -0.157 0.000 1.043 482 K CA 0.353 56.555 56.287 -0.141 0.000 0.758 482 K CB -0.996 31.442 32.500 -0.104 0.000 1.260 482 K HN 0.096 nan 8.250 nan 0.000 0.481 483 R N -0.250 120.126 120.500 -0.206 0.000 2.801 483 R HA 0.199 4.538 4.340 -0.000 0.000 0.273 483 R C -1.964 174.286 176.300 -0.084 0.000 1.080 483 R CA -1.925 54.060 56.100 -0.191 0.000 1.197 483 R CB -0.566 29.588 30.300 -0.244 0.000 1.109 483 R HN -0.027 nan 8.270 nan 0.000 0.535 484 P HA -0.054 nan 4.420 nan 0.000 0.264 484 P C 0.607 177.918 177.300 0.017 0.000 1.183 484 P CA 0.160 63.254 63.100 -0.010 0.000 0.763 484 P CB 0.481 32.184 31.700 0.005 0.000 0.807 485 K N 5.010 125.421 120.400 0.019 0.000 2.160 485 K HA -0.227 4.093 4.320 -0.000 0.000 0.206 485 K C 1.608 178.244 176.600 0.060 0.000 1.047 485 K CA 1.751 58.062 56.287 0.040 0.000 0.930 485 K CB -0.136 32.384 32.500 0.034 0.000 0.720 485 K HN 0.348 nan 8.250 nan 0.000 0.450 486 K N 0.896 121.322 120.400 0.044 0.000 2.063 486 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 486 K C 1.769 178.404 176.600 0.058 0.000 1.048 486 K CA 1.726 58.036 56.287 0.039 0.000 0.928 486 K CB 0.010 32.523 32.500 0.021 0.000 0.713 486 K HN 0.257 nan 8.250 nan 0.000 0.442 487 E N 0.527 120.783 120.200 0.094 0.000 2.047 487 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 487 E C 2.114 178.878 176.600 0.274 0.000 0.987 487 E CA 1.395 57.903 56.400 0.181 0.000 0.799 487 E CB -0.121 29.728 29.700 0.248 0.000 0.752 487 E HN 0.341 nan 8.360 nan 0.000 0.449 488 I N 1.069 121.773 120.570 0.224 0.000 2.194 488 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 488 I C 2.387 178.714 176.117 0.350 0.000 1.093 488 I CA 0.976 62.449 61.300 0.289 0.000 1.355 488 I CB -0.260 37.841 38.000 0.168 0.000 1.046 488 I HN 0.014 nan 8.210 nan 0.000 0.413 489 S N 0.680 116.503 115.700 0.204 0.000 2.383 489 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 489 S C 1.893 176.544 174.600 0.085 0.000 1.026 489 S CA 1.052 59.340 58.200 0.146 0.000 0.981 489 S CB -0.358 62.891 63.200 0.081 0.000 0.818 489 S HN 0.316 nan 8.310 nan 0.000 0.472 490 L N 0.783 122.006 121.223 -0.000 0.000 2.046 490 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 490 L C 1.647 178.386 176.870 -0.217 0.000 1.077 490 L CA 1.837 56.569 54.840 -0.180 0.000 0.747 490 L CB -0.654 41.183 42.059 -0.369 0.000 0.896 490 L HN 0.204 nan 8.230 nan 0.000 0.432 491 F N -0.547 119.476 119.950 0.121 0.000 2.416 491 F HA 0.129 4.656 4.527 -0.000 0.000 0.296 491 F C 2.442 178.307 175.800 0.109 0.000 1.099 491 F CA 0.748 58.822 58.000 0.122 0.000 1.427 491 F CB -1.071 37.999 39.000 0.117 0.000 1.079 491 F HN 0.146 nan 8.300 nan 0.000 0.536 492 A N -0.029 122.937 122.820 0.242 0.000 1.972 492 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 492 A C 2.241 179.967 177.584 0.237 0.000 1.169 492 A CA 1.820 53.916 52.037 0.098 0.000 0.635 492 A CB -0.591 18.467 19.000 0.098 0.000 0.810 492 A HN 0.361 nan 8.150 nan 0.000 0.446 493 K N -0.581 119.905 120.400 0.143 0.000 2.076 493 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 493 K C 2.198 178.865 176.600 0.112 0.000 1.051 493 K CA 0.808 57.150 56.287 0.092 0.000 0.949 493 K CB -0.128 32.380 32.500 0.014 0.000 0.726 493 K HN 0.379 nan 8.250 nan 0.000 0.443 494 R N 0.813 121.383 120.500 0.116 0.000 2.115 494 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 494 R C 1.122 177.614 176.300 0.319 0.000 1.111 494 R CA 0.543 56.742 56.100 0.166 0.000 0.976 494 R CB -0.342 30.074 30.300 0.194 0.000 0.870 494 R HN 0.194 nan 8.270 nan 0.000 0.445 498 Y N 1.611 122.066 120.300 0.258 0.000 2.315 498 Y HA 0.075 4.624 4.550 -0.000 0.000 0.288 498 Y C 1.660 177.655 175.900 0.158 0.000 1.154 498 Y CA 1.258 59.489 58.100 0.219 0.000 1.229 498 Y CB -0.462 38.120 38.460 0.205 0.000 0.980 498 Y HN -0.125 nan 8.280 nan 0.000 0.540 499 K N 0.468 120.596 120.400 -0.454 0.000 2.280 499 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 499 K C 1.315 177.907 176.600 -0.013 0.000 1.047 499 K CA 1.068 57.197 56.287 -0.264 0.000 0.942 499 K CB -0.236 32.022 32.500 -0.405 0.000 0.739 499 K HN 0.383 nan 8.250 nan 0.000 0.457 500 N N 0.793 119.488 118.700 -0.007 0.000 2.453 500 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 500 N C 1.093 176.564 175.510 -0.065 0.000 1.041 500 N CA 0.900 53.935 53.050 -0.025 0.000 0.900 500 N CB 0.169 38.689 38.487 0.054 0.000 0.961 500 N HN 0.220 nan 8.380 nan 0.000 0.443 501 L N -0.790 120.492 121.223 0.099 0.000 2.857 501 L HA 0.279 4.619 4.340 -0.000 0.000 0.249 501 L C -0.089 176.914 176.870 0.223 0.000 1.172 501 L CA -0.392 54.550 54.840 0.169 0.000 0.980 501 L CB 0.051 42.176 42.059 0.110 0.000 1.299 501 L HN -0.077 nan 8.230 nan 0.000 0.535 502 F N 2.003 122.008 119.950 0.092 0.000 2.445 502 F HA 0.185 4.712 4.527 -0.000 0.000 0.359 502 F C 0.439 176.136 175.800 -0.173 0.000 1.101 502 F CA -0.737 57.231 58.000 -0.053 0.000 1.177 502 F CB 0.559 39.543 39.000 -0.027 0.000 1.110 502 F HN -0.071 nan 8.300 nan 0.000 0.522 503 D N 5.653 125.361 120.400 -1.154 0.000 2.412 503 D HA 0.181 4.821 4.640 -0.000 0.000 0.224 503 D C 0.658 176.392 176.300 -0.943 0.000 1.093 503 D CA -0.260 53.020 54.000 -1.201 0.000 0.850 503 D CB 1.066 40.961 40.800 -1.508 0.000 1.046 503 D HN 0.590 nan 8.370 nan 0.000 0.507 504 K N 2.124 122.269 120.400 -0.425 0.000 2.147 504 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 504 K C 1.415 177.902 176.600 -0.188 0.000 1.049 504 K CA 1.163 57.362 56.287 -0.147 0.000 0.936 504 K CB 0.249 32.772 32.500 0.038 0.000 0.722 504 K HN 0.560 nan 8.250 nan 0.000 0.446 505 E N 0.357 120.412 120.200 -0.242 0.000 2.038 505 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 505 E C 2.028 178.518 176.600 -0.183 0.000 1.000 505 E CA 1.811 58.108 56.400 -0.173 0.000 0.803 505 E CB -0.115 29.481 29.700 -0.174 0.000 0.750 505 E HN 0.337 nan 8.360 nan 0.000 0.448 506 S N -0.207 115.309 115.700 -0.306 0.000 2.503 506 S HA 0.105 4.575 4.470 -0.000 0.000 0.215 506 S C 0.650 175.036 174.600 -0.356 0.000 1.003 506 S CA 0.007 58.054 58.200 -0.256 0.000 0.910 506 S CB 0.121 63.210 63.200 -0.184 0.000 0.790 506 S HN 0.163 nan 8.310 nan 0.000 0.514 507 K N 0.378 120.471 120.400 -0.512 0.000 3.160 507 K HA -0.121 4.199 4.320 -0.000 0.000 0.280 507 K C -0.546 175.631 176.600 -0.705 0.000 1.154 507 K CA 0.748 56.734 56.287 -0.501 0.000 0.822 507 K CB -2.111 30.339 32.500 -0.083 0.000 1.239 507 K HN 0.480 nan 8.250 nan 0.000 0.489 511 G N 2.654 111.316 108.800 -0.231 0.000 2.414 511 G HA2 0.198 4.158 3.960 -0.000 0.000 0.236 511 G HA3 0.198 4.158 3.960 -0.000 0.000 0.236 511 G C -0.728 174.096 174.900 -0.127 0.000 1.293 511 G CA -0.171 44.818 45.100 -0.185 0.000 0.869 511 G HN 0.573 nan 8.290 nan 0.000 0.556 512 R N 1.709 122.154 120.500 -0.092 0.000 2.532 512 R HA 0.181 4.521 4.340 -0.000 0.000 0.297 512 R C -0.290 175.992 176.300 -0.029 0.000 0.984 512 R CA -0.838 55.102 56.100 -0.266 0.000 0.884 512 R CB 0.830 30.632 30.300 -0.830 0.000 1.182 512 R HN 0.598 nan 8.270 nan 0.000 0.442 513 N N 2.005 120.691 118.700 -0.024 0.000 2.371 513 N HA -0.084 4.656 4.740 -0.000 0.000 0.243 513 N C 0.682 176.275 175.510 0.139 0.000 1.287 513 N CA 0.060 53.160 53.050 0.083 0.000 0.911 513 N CB 0.870 39.383 38.487 0.042 0.000 1.142 513 N HN 0.729 nan 8.380 nan 0.000 0.451 514 E N 0.464 120.718 120.200 0.090 0.000 2.160 514 E HA -0.235 4.114 4.350 -0.000 0.000 0.195 514 E C 0.375 177.021 176.600 0.076 0.000 0.991 514 E CA 1.463 57.902 56.400 0.065 0.000 0.810 514 E CB 0.059 29.764 29.700 0.009 0.000 0.742 514 E HN 0.583 nan 8.360 nan 0.000 0.466 515 D N -1.483 118.945 120.400 0.047 0.000 2.363 515 D HA -0.002 4.638 4.640 -0.000 0.000 0.220 515 D C 1.360 177.666 176.300 0.011 0.000 0.994 515 D CA 1.005 55.019 54.000 0.023 0.000 0.890 515 D CB 0.221 41.024 40.800 0.006 0.000 0.906 515 D HN 0.353 nan 8.370 nan 0.000 0.530 516 G N -0.378 108.432 108.800 0.016 0.000 2.218 516 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 516 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 516 G C 0.476 175.230 174.900 -0.243 0.000 0.994 516 G CA 0.167 45.221 45.100 -0.075 0.000 0.637 516 G HN 0.749 nan 8.290 nan 0.000 0.505 517 T N -0.194 114.260 114.554 -0.166 0.000 2.907 517 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 517 T C 0.259 174.815 174.700 -0.241 0.000 1.017 517 T CA -0.472 61.523 62.100 -0.176 0.000 1.118 517 T CB 1.389 70.215 68.868 -0.070 0.000 0.948 517 T HN 0.242 nan 8.240 nan 0.000 0.531 518 F N 2.550 122.389 119.950 -0.185 0.000 2.471 518 F HA 0.278 4.805 4.527 -0.000 0.000 0.353 518 F C 1.139 176.788 175.800 -0.251 0.000 1.113 518 F CA -0.553 57.288 58.000 -0.267 0.000 1.262 518 F CB 0.707 39.514 39.000 -0.321 0.000 1.146 518 F HN 0.688 nan 8.300 nan 0.000 0.578 519 Q N 1.272 121.001 119.800 -0.118 0.000 2.364 519 Q HA 0.419 4.759 4.340 -0.000 0.000 0.267 519 Q C -0.884 175.023 176.000 -0.156 0.000 0.999 519 Q CA -0.035 55.615 55.803 -0.254 0.000 0.886 519 Q CB 0.899 29.146 28.738 -0.818 0.000 1.243 519 Q HN 0.472 nan 8.270 nan 0.000 0.415 520 S N 2.565 118.219 115.700 -0.076 0.000 2.548 520 S HA 0.641 5.111 4.470 -0.000 0.000 0.286 520 S C -2.380 172.228 174.600 0.013 0.000 1.098 520 S CA -1.201 56.993 58.200 -0.010 0.000 0.930 520 S CB 1.226 64.428 63.200 0.003 0.000 1.070 520 S HN 0.805 nan 8.310 nan 0.000 0.480 521 P HA 0.341 nan 4.420 nan 0.000 0.275 521 P C -1.217 176.129 177.300 0.078 0.000 1.228 521 P CA -0.364 62.762 63.100 0.043 0.000 0.786 521 P CB 0.303 32.022 31.700 0.032 0.000 0.927 522 F N 1.547 121.443 119.950 -0.091 0.000 2.410 522 F HA 0.403 4.929 4.527 -0.000 0.000 0.349 522 F C 0.006 175.770 175.800 -0.060 0.000 1.117 522 F CA -0.879 57.052 58.000 -0.114 0.000 1.104 522 F CB 1.168 40.066 39.000 -0.169 0.000 1.122 522 F HN 0.237 nan 8.300 nan 0.000 0.483 523 S N 8.519 123.899 115.700 -0.534 0.000 2.622 523 S HA 0.412 4.882 4.470 -0.000 0.000 0.283 523 S C -1.837 172.339 174.600 -0.707 0.000 1.197 523 S CA -1.489 56.400 58.200 -0.518 0.000 1.146 523 S CB 0.849 63.957 63.200 -0.154 0.000 1.007 523 S HN 0.520 nan 8.310 nan 0.000 0.478 524 P HA -0.004 nan 4.420 nan 0.000 0.222 524 P C 0.882 178.120 177.300 -0.103 0.000 1.147 524 P CA 0.726 63.452 63.100 -0.624 0.000 0.790 524 P CB 0.092 31.530 31.700 -0.437 0.000 0.780 525 L N -1.190 120.022 121.223 -0.018 0.000 2.592 525 L HA 0.156 4.496 4.340 -0.000 0.000 0.227 525 L C 1.283 178.297 176.870 0.240 0.000 1.127 525 L CA -0.129 54.786 54.840 0.125 0.000 0.884 525 L CB -0.415 41.711 42.059 0.112 0.000 1.065 525 L HN -0.126 nan 8.230 nan 0.000 0.457 526 K N 0.623 121.118 120.400 0.159 0.000 2.349 526 K HA 0.037 4.357 4.320 -0.000 0.000 0.288 526 K C -0.911 175.916 176.600 0.378 0.000 1.058 526 K CA -0.515 55.938 56.287 0.278 0.000 0.953 526 K CB 0.436 33.038 32.500 0.170 0.000 0.997 526 K HN -0.091 nan 8.250 nan 0.000 0.477 527 W N 3.562 125.001 121.300 0.230 0.000 2.251 527 W HA 0.368 5.028 4.660 -0.000 0.000 0.329 527 W C 1.014 177.654 176.519 0.202 0.000 1.234 527 W CA 1.027 58.544 57.345 0.287 0.000 1.228 527 W CB 0.551 30.234 29.460 0.372 0.000 1.135 527 W HN 0.975 nan 8.180 nan 0.000 0.576 528 G N 1.921 110.922 108.800 0.334 0.000 2.598 528 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 528 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 528 G C 0.327 174.936 174.900 -0.484 0.000 1.302 528 G CA 0.755 45.792 45.100 -0.105 0.000 0.903 528 G HN 0.789 nan 8.290 nan 0.000 0.575 529 D N -2.774 116.808 120.400 -1.363 0.000 4.529 529 D HA -0.156 4.484 4.640 -0.000 0.000 0.151 529 D C 2.163 178.203 176.300 -0.434 0.000 0.685 529 D CA 4.029 57.466 54.000 -0.939 0.000 1.198 529 D CB -1.557 39.014 40.800 -0.382 0.000 0.658 529 D HN 1.890 nan 8.370 nan 0.000 0.542 530 A N -0.406 122.256 122.820 -0.264 0.000 2.015 530 A HA 0.211 4.531 4.320 -0.000 0.000 0.219 530 A C 1.160 178.319 177.584 -0.708 0.000 1.163 530 A CA 1.506 53.280 52.037 -0.439 0.000 0.646 530 A CB -0.352 18.338 19.000 -0.517 0.000 0.806 530 A HN 0.251 nan 8.150 nan 0.000 0.448 531 F N -2.285 117.572 119.950 -0.156 0.000 2.613 531 F HA 0.645 5.172 4.527 -0.000 0.000 0.342 531 F C 0.502 176.238 175.800 -0.107 0.000 1.066 531 F CA -0.654 57.230 58.000 -0.194 0.000 1.002 531 F CB 1.350 40.310 39.000 -0.066 0.000 1.319 531 F HN -0.200 nan 8.300 nan 0.000 0.495 532 T N -0.439 114.262 114.554 0.243 0.000 2.912 532 T HA 0.367 4.717 4.350 -0.000 0.000 0.299 532 T C -0.740 174.184 174.700 0.374 0.000 1.052 532 T CA -0.447 61.789 62.100 0.226 0.000 0.996 532 T CB 0.951 69.856 68.868 0.062 0.000 1.070 532 T HN 0.741 nan 8.240 nan 0.000 0.465 533 E N 1.550 121.905 120.200 0.259 0.000 2.252 533 E HA -0.062 4.288 4.350 -0.000 0.000 0.218 533 E C 0.123 176.773 176.600 0.084 0.000 1.253 533 E CA 1.090 57.629 56.400 0.232 0.000 0.705 533 E CB -1.423 28.447 29.700 0.282 0.000 1.172 533 E HN 1.354 nan 8.360 nan 0.000 0.369 534 G N 0.048 108.814 108.800 -0.056 0.000 2.357 534 G HA2 0.214 4.174 3.960 -0.000 0.000 0.289 534 G HA3 0.214 4.174 3.960 -0.000 0.000 0.289 534 G C -1.082 173.568 174.900 -0.417 0.000 1.302 534 G CA -0.293 44.428 45.100 -0.632 0.000 0.936 534 G HN 0.644 nan 8.290 nan 0.000 0.513 535 N N -1.692 116.672 118.700 -0.559 0.000 3.002 535 N HA 0.674 5.414 4.740 -0.000 0.000 0.331 535 N C 1.290 176.332 175.510 -0.780 0.000 1.384 535 N CA 0.385 53.142 53.050 -0.489 0.000 0.780 535 N CB 1.119 39.343 38.487 -0.438 0.000 1.492 535 N HN 0.789 nan 8.380 nan 0.000 0.608 536 S N -1.281 113.956 115.700 -0.772 0.000 2.383 536 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 536 S C 0.942 175.152 174.600 -0.649 0.000 1.030 536 S CA 1.035 58.676 58.200 -0.932 0.000 1.002 536 S CB -0.609 62.407 63.200 -0.306 0.000 0.829 536 S HN 0.557 nan 8.310 nan 0.000 0.467 537 W N 0.919 121.904 121.300 -0.526 0.000 2.421 537 W HA -0.013 4.647 4.660 -0.000 0.000 0.270 537 W C 2.154 178.515 176.519 -0.263 0.000 1.233 537 W CA 1.141 58.246 57.345 -0.400 0.000 1.226 537 W CB -0.247 28.985 29.460 -0.379 0.000 1.121 537 W HN 0.589 nan 8.180 nan 0.000 0.579 538 H N -3.880 115.144 119.070 -0.076 0.000 2.418 538 H HA -0.023 4.533 4.556 -0.000 0.000 0.300 538 H C 1.347 176.610 175.328 -0.109 0.000 1.041 538 H CA 1.157 57.146 56.048 -0.097 0.000 1.364 538 H CB -0.339 29.244 29.762 -0.298 0.000 1.439 538 H HN 0.064 nan 8.280 nan 0.000 0.540 539 Y N 0.701 120.875 120.300 -0.210 0.000 2.519 539 Y HA -0.091 4.459 4.550 -0.000 0.000 0.287 539 Y C 2.178 177.952 175.900 -0.211 0.000 1.128 539 Y CA 0.538 58.539 58.100 -0.164 0.000 1.282 539 Y CB 0.416 38.735 38.460 -0.235 0.000 1.027 539 Y HN 0.125 nan 8.280 nan 0.000 0.551 540 T N -0.842 113.506 114.554 -0.344 0.000 2.881 540 T HA -0.227 4.122 4.350 -0.000 0.000 0.270 540 T C 0.741 175.128 174.700 -0.521 0.000 1.068 540 T CA 1.552 63.337 62.100 -0.525 0.000 1.131 540 T CB -0.423 67.902 68.868 -0.905 0.000 0.871 540 T HN 0.482 nan 8.240 nan 0.000 0.479 541 W N 1.516 122.764 121.300 -0.088 0.000 3.292 541 W HA 0.282 4.942 4.660 -0.000 0.000 0.263 541 W C 1.046 177.485 176.519 -0.134 0.000 1.318 541 W CA -0.515 56.763 57.345 -0.112 0.000 1.663 541 W CB -0.406 28.924 29.460 -0.217 0.000 1.114 541 W HN -0.043 nan 8.180 nan 0.000 0.706 542 S N 1.182 116.845 115.700 -0.061 0.000 4.069 542 S HA 0.221 4.691 4.470 -0.000 0.000 0.192 542 S C 0.209 174.499 174.600 -0.518 0.000 1.441 542 S CA -0.024 57.934 58.200 -0.403 0.000 0.994 542 S CB -0.359 62.884 63.200 0.071 0.000 1.456 542 S HN -0.036 nan 8.310 nan 0.000 0.458 543 V N 2.640 122.162 119.914 -0.653 0.000 2.468 543 V HA 0.219 4.339 4.120 -0.000 0.000 0.256 543 V C 0.380 176.149 176.094 -0.541 0.000 0.998 543 V CA -0.455 61.499 62.300 -0.576 0.000 1.114 543 V CB -0.629 30.741 31.823 -0.756 0.000 1.378 543 V HN 0.610 nan 8.190 nan 0.000 0.573 544 F N 0.672 120.482 119.950 -0.234 0.000 2.126 544 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 544 F C 2.613 178.272 175.800 -0.235 0.000 1.096 544 F CA 2.130 59.944 58.000 -0.310 0.000 1.255 544 F CB -0.482 38.167 39.000 -0.585 0.000 0.997 544 F HN 0.630 nan 8.300 nan 0.000 0.479 545 H N -1.677 117.287 119.070 -0.177 0.000 2.529 545 H HA 0.037 4.592 4.556 -0.000 0.000 0.277 545 H C -0.040 175.161 175.328 -0.213 0.000 0.999 545 H CA 1.329 57.104 56.048 -0.454 0.000 1.256 545 H CB -0.320 28.802 29.762 -1.066 0.000 1.402 545 H HN 0.223 nan 8.280 nan 0.000 0.566 546 D N 0.234 120.286 120.400 -0.580 0.000 2.945 546 D HA 0.224 4.863 4.640 -0.000 0.000 0.340 546 D C -2.038 174.019 176.300 -0.405 0.000 1.240 546 D CA -1.932 51.811 54.000 -0.429 0.000 0.749 546 D CB 0.842 41.406 40.800 -0.394 0.000 1.217 546 D HN 0.039 nan 8.370 nan 0.000 0.514 547 P HA -0.154 nan 4.420 nan 0.000 0.216 547 P C 1.399 178.490 177.300 -0.350 0.000 1.150 547 P CA 0.985 63.824 63.100 -0.435 0.000 0.837 547 P CB 0.466 31.665 31.700 -0.835 0.000 0.786 548 Q N -0.001 119.668 119.800 -0.218 0.000 2.124 548 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 548 Q C 2.165 178.062 176.000 -0.171 0.000 0.977 548 Q CA 2.216 57.908 55.803 -0.183 0.000 0.850 548 Q CB -1.488 27.183 28.738 -0.112 0.000 0.901 548 Q HN 0.173 nan 8.270 nan 0.000 0.429 549 G N 0.404 109.121 108.800 -0.137 0.000 2.418 549 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 549 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 549 G C 1.305 176.165 174.900 -0.067 0.000 1.158 549 G CA 0.905 45.980 45.100 -0.043 0.000 0.771 549 G HN 0.405 nan 8.290 nan 0.000 0.545 550 L N 0.686 121.819 121.223 -0.151 0.000 2.083 550 L HA 0.112 4.451 4.340 -0.000 0.000 0.209 550 L C 2.708 179.510 176.870 -0.114 0.000 1.083 550 L CA 1.190 55.953 54.840 -0.129 0.000 0.752 550 L CB -0.329 41.688 42.059 -0.070 0.000 0.899 550 L HN 0.261 nan 8.230 nan 0.000 0.433 551 I N -0.569 119.855 120.570 -0.244 0.000 2.226 551 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 551 I C 1.989 178.040 176.117 -0.110 0.000 1.100 551 I CA 1.345 62.490 61.300 -0.259 0.000 1.374 551 I CB -0.506 37.219 38.000 -0.459 0.000 1.057 551 I HN 0.277 nan 8.210 nan 0.000 0.413 552 D N 0.940 121.259 120.400 -0.136 0.000 2.097 552 D HA -0.038 4.602 4.640 -0.000 0.000 0.195 552 D C 1.327 177.535 176.300 -0.152 0.000 0.989 552 D CA 0.775 54.709 54.000 -0.111 0.000 0.827 552 D CB -0.338 40.399 40.800 -0.106 0.000 0.966 552 D HN 0.160 nan 8.370 nan 0.000 0.456 556 G N 0.551 109.385 108.800 0.056 0.000 2.555 556 G HA2 0.131 4.091 3.960 -0.000 0.000 0.686 556 G HA3 0.131 4.091 3.960 -0.000 0.000 0.686 556 G C 0.756 175.722 174.900 0.110 0.000 1.275 556 G CA 0.318 45.453 45.100 0.058 0.000 0.871 556 G HN 0.966 nan 8.290 nan 0.000 0.603 557 K N -0.018 120.433 120.400 0.085 0.000 2.147 557 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 557 K C 0.897 177.631 176.600 0.223 0.000 1.049 557 K CA 1.677 58.043 56.287 0.131 0.000 0.936 557 K CB -0.015 32.532 32.500 0.078 0.000 0.722 557 K HN 0.543 nan 8.250 nan 0.000 0.446 561 V N 1.180 121.284 119.914 0.316 0.000 2.427 561 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 561 V C 1.391 177.600 176.094 0.192 0.000 1.051 561 V CA 2.106 64.550 62.300 0.241 0.000 1.048 561 V CB -0.940 31.076 31.823 0.322 0.000 0.666 561 V HN 0.417 nan 8.190 nan 0.000 0.456 566 S N 0.748 116.493 115.700 0.074 0.000 2.423 566 S HA -0.077 4.393 4.470 -0.000 0.000 0.231 566 S C 2.056 176.510 174.600 -0.243 0.000 1.014 566 S CA 1.247 59.416 58.200 -0.051 0.000 0.965 566 S CB -0.454 62.722 63.200 -0.040 0.000 0.785 566 S HN 0.082 nan 8.310 nan 0.000 0.495 567 V N 0.952 120.700 119.914 -0.278 0.000 2.332 567 V HA -0.157 3.962 4.120 -0.000 0.000 0.248 567 V C 2.206 178.010 176.094 -0.484 0.000 1.055 567 V CA 2.056 64.078 62.300 -0.464 0.000 1.038 567 V CB -1.123 30.400 31.823 -0.500 0.000 0.651 567 V HN 0.526 nan 8.190 nan 0.000 0.450 568 F N 0.298 120.090 119.950 -0.264 0.000 2.456 568 F HA 0.163 4.690 4.527 -0.000 0.000 0.298 568 F C 2.248 177.984 175.800 -0.107 0.000 1.104 568 F CA 0.974 58.799 58.000 -0.291 0.000 1.435 568 F CB -0.588 38.027 39.000 -0.641 0.000 1.078 568 F HN 0.094 nan 8.300 nan 0.000 0.546 569 A N -0.009 122.859 122.820 0.080 0.000 2.095 569 A HA 0.218 4.538 4.320 -0.000 0.000 0.212 569 A C 0.977 178.563 177.584 0.005 0.000 1.162 569 A CA 0.501 52.588 52.037 0.083 0.000 0.753 569 A CB -0.856 18.196 19.000 0.088 0.000 0.840 569 A HN 0.053 nan 8.150 nan 0.000 0.468 570 V N -2.338 117.525 119.914 -0.085 0.000 2.953 570 V HA 0.465 4.585 4.120 -0.000 0.000 0.304 570 V C -2.667 173.386 176.094 -0.070 0.000 1.073 570 V CA -2.439 59.794 62.300 -0.113 0.000 1.064 570 V CB 0.531 32.209 31.823 -0.242 0.000 1.047 570 V HN 0.182 nan 8.190 nan 0.000 0.478 571 P HA 0.279 nan 4.420 nan 0.000 0.272 571 P C -2.557 174.739 177.300 -0.006 0.000 1.230 571 P CA -1.845 61.248 63.100 -0.011 0.000 0.788 571 P CB -0.210 31.484 31.700 -0.009 0.000 0.949 572 P HA 0.098 nan 4.420 nan 0.000 0.228 572 P C 0.298 177.711 177.300 0.187 0.000 1.748 572 P CA 0.019 63.193 63.100 0.122 0.000 0.909 572 P CB -0.808 30.973 31.700 0.136 0.000 1.882 573 I N -1.034 119.587 120.570 0.085 0.000 2.696 573 I HA 0.457 4.627 4.170 -0.000 0.000 0.284 573 I C -0.071 176.145 176.117 0.165 0.000 1.129 573 I CA -0.602 60.709 61.300 0.018 0.000 1.410 573 I CB -0.104 37.856 38.000 -0.067 0.000 1.399 573 I HN -0.078 nan 8.210 nan 0.000 0.579 574 F N 1.923 121.907 119.950 0.056 0.000 2.645 574 F HA 0.614 5.141 4.527 -0.000 0.000 0.310 574 F C -1.255 174.594 175.800 0.082 0.000 1.102 574 F CA -1.274 56.797 58.000 0.119 0.000 0.952 574 F CB 1.297 40.295 39.000 -0.003 0.000 1.326 574 F HN 0.409 nan 8.300 nan 0.000 0.456 575 D N 1.654 122.268 120.400 0.357 0.000 2.414 575 D HA 0.205 4.845 4.640 -0.000 0.000 0.232 575 D C -0.349 176.192 176.300 0.403 0.000 1.070 575 D CA -0.447 53.704 54.000 0.252 0.000 0.839 575 D CB 1.146 42.048 40.800 0.171 0.000 1.079 575 D HN 0.685 nan 8.370 nan 0.000 0.521 576 D N 1.467 122.108 120.400 0.402 0.000 2.342 576 D HA -0.012 4.628 4.640 -0.000 0.000 0.221 576 D C 0.940 177.429 176.300 0.316 0.000 1.101 576 D CA -0.185 54.053 54.000 0.397 0.000 0.837 576 D CB 0.097 41.106 40.800 0.348 0.000 0.938 576 D HN 0.147 nan 8.370 nan 0.000 0.508 577 S N 0.086 115.925 115.700 0.231 0.000 2.400 577 S HA -0.289 4.180 4.470 -0.000 0.000 0.234 577 S C 1.463 176.135 174.600 0.120 0.000 1.049 577 S CA 1.149 59.441 58.200 0.153 0.000 1.039 577 S CB -0.754 62.527 63.200 0.135 0.000 0.856 577 S HN 0.474 nan 8.310 nan 0.000 0.465 578 Y N 0.690 120.961 120.300 -0.049 0.000 2.352 578 Y HA -0.122 4.428 4.550 -0.000 0.000 0.292 578 Y C 1.533 177.213 175.900 -0.368 0.000 1.136 578 Y CA 1.016 58.953 58.100 -0.271 0.000 1.227 578 Y CB -0.168 37.997 38.460 -0.491 0.000 0.991 578 Y HN 0.307 nan 8.280 nan 0.000 0.545 579 Y N -1.738 118.638 120.300 0.125 0.000 2.507 579 Y HA 0.303 4.853 4.550 -0.000 0.000 0.263 579 Y C 2.097 178.005 175.900 0.013 0.000 1.093 579 Y CA 0.231 58.353 58.100 0.036 0.000 1.285 579 Y CB -0.127 38.372 38.460 0.066 0.000 1.115 579 Y HN 0.025 nan 8.280 nan 0.000 0.533 580 G N 1.007 109.899 108.800 0.154 0.000 2.180 580 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.263 580 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.263 580 G C 0.055 175.026 174.900 0.118 0.000 0.989 580 G CA 0.837 46.001 45.100 0.107 0.000 0.692 580 G HN 0.531 nan 8.290 nan 0.000 0.526 581 Q N -2.564 117.327 119.800 0.152 0.000 2.756 581 Q HA 0.559 4.899 4.340 -0.000 0.000 0.295 581 Q C -1.061 174.963 176.000 0.040 0.000 0.903 581 Q CA -0.996 54.867 55.803 0.100 0.000 0.768 581 Q CB 1.139 29.928 28.738 0.086 0.000 1.472 581 Q HN 0.463 nan 8.270 nan 0.000 0.416 582 V N 3.318 123.218 119.914 -0.023 0.000 2.313 582 V HA 0.218 4.337 4.120 -0.000 0.000 0.252 582 V C 0.765 176.695 176.094 -0.274 0.000 1.112 582 V CA -0.414 61.761 62.300 -0.209 0.000 0.984 582 V CB -0.990 30.727 31.823 -0.176 0.000 1.157 582 V HN 0.653 nan 8.190 nan 0.000 0.493 583 I N 1.379 121.696 120.570 -0.422 0.000 3.060 583 I HA 0.216 4.385 4.170 -0.000 0.000 0.285 583 I C 1.775 177.617 176.117 -0.459 0.000 1.190 583 I CA -0.138 60.894 61.300 -0.447 0.000 1.363 583 I CB 0.340 37.928 38.000 -0.686 0.000 1.396 583 I HN 0.741 nan 8.210 nan 0.000 0.607 584 H N 1.026 119.864 119.070 -0.388 0.000 2.421 584 H HA -0.070 4.486 4.556 -0.000 0.000 0.298 584 H C 1.449 176.619 175.328 -0.264 0.000 1.087 584 H CA 1.560 57.437 56.048 -0.285 0.000 1.330 584 H CB -0.347 29.282 29.762 -0.222 0.000 1.388 584 H HN 0.740 nan 8.280 nan 0.000 0.526 585 E N 0.870 120.562 120.200 -0.847 0.000 2.110 585 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 585 E C 2.063 178.406 176.600 -0.429 0.000 0.988 585 E CA 1.360 57.460 56.400 -0.500 0.000 0.804 585 E CB -0.088 29.401 29.700 -0.351 0.000 0.745 585 E HN 0.605 nan 8.360 nan 0.000 0.458 586 I N 0.252 120.330 120.570 -0.820 0.000 2.202 586 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 586 I C 2.435 178.191 176.117 -0.602 0.000 1.091 586 I CA 0.817 61.460 61.300 -1.094 0.000 1.368 586 I CB -0.105 36.966 38.000 -1.548 0.000 1.058 586 I HN 0.010 nan 8.210 nan 0.000 0.410 587 R N 1.562 121.789 120.500 -0.456 0.000 2.083 587 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 587 R C 0.899 177.117 176.300 -0.136 0.000 1.137 587 R CA 1.169 57.121 56.100 -0.246 0.000 0.951 587 R CB -0.436 29.774 30.300 -0.150 0.000 0.851 587 R HN 0.358 nan 8.270 nan 0.000 0.434 596 N N -0.111 118.541 118.700 -0.080 0.000 2.449 596 N HA 0.045 4.784 4.740 -0.000 0.000 0.191 596 N C -0.459 175.064 175.510 0.023 0.000 1.161 596 N CA -0.001 53.048 53.050 -0.001 0.000 0.863 596 N CB 0.221 38.630 38.487 -0.129 0.000 0.980 596 N HN 0.333 nan 8.380 nan 0.000 0.458 597 Y N 1.830 121.989 120.300 -0.235 0.000 2.613 597 Y HA 0.269 4.819 4.550 -0.000 0.000 0.354 597 Y C -0.153 175.667 175.900 -0.132 0.000 1.063 597 Y CA -0.876 57.040 58.100 -0.306 0.000 1.384 597 Y CB 0.035 38.151 38.460 -0.573 0.000 1.199 597 Y HN -0.066 nan 8.280 nan 0.000 0.517 598 A N 6.231 128.648 122.820 -0.671 0.000 2.582 598 A HA 0.148 4.468 4.320 -0.000 0.000 0.336 598 A C 1.103 178.276 177.584 -0.685 0.000 1.445 598 A CA -0.464 51.276 52.037 -0.494 0.000 0.997 598 A CB -0.606 18.148 19.000 -0.409 0.000 1.148 598 A HN 1.036 nan 8.150 nan 0.000 0.514 599 H N 2.520 121.185 119.070 -0.675 0.000 2.457 599 H HA -0.168 4.388 4.556 -0.000 0.000 0.297 599 H C 1.827 176.902 175.328 -0.421 0.000 1.092 599 H CA 1.794 57.481 56.048 -0.602 0.000 1.309 599 H CB 0.327 29.940 29.762 -0.248 0.000 1.382 599 H HN 0.707 nan 8.280 nan 0.000 0.535 600 G N -0.031 108.538 108.800 -0.384 0.000 2.572 600 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 600 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 600 G C 0.494 175.230 174.900 -0.274 0.000 1.133 600 G CA -0.302 44.615 45.100 -0.306 0.000 0.791 600 G HN 0.407 nan 8.290 nan 0.000 0.538 601 N N 0.837 119.332 118.700 -0.342 0.000 2.416 601 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 601 N C 0.962 176.297 175.510 -0.292 0.000 1.195 601 N CA -0.403 52.481 53.050 -0.276 0.000 0.943 601 N CB 0.902 39.116 38.487 -0.455 0.000 1.115 601 N HN -0.018 nan 8.380 nan 0.000 0.481 602 Q N 2.753 122.425 119.800 -0.213 0.000 2.112 602 Q HA -0.139 4.201 4.340 -0.000 0.000 0.206 602 Q C -0.803 174.996 176.000 -0.335 0.000 0.987 602 Q CA 1.857 57.444 55.803 -0.361 0.000 0.858 602 Q CB -0.809 27.503 28.738 -0.710 0.000 0.905 602 Q HN 0.589 nan 8.270 nan 0.000 0.420 603 P HA -0.094 nan 4.420 nan 0.000 0.222 603 P C 0.740 177.999 177.300 -0.068 0.000 1.147 603 P CA 1.011 63.927 63.100 -0.307 0.000 0.790 603 P CB 0.091 31.310 31.700 -0.802 0.000 0.780 604 I N -1.087 119.390 120.570 -0.154 0.000 3.883 604 I HA -0.001 4.169 4.170 -0.000 0.000 0.326 604 I C 1.639 177.715 176.117 -0.068 0.000 1.283 604 I CA 0.367 61.584 61.300 -0.137 0.000 1.161 604 I CB -0.002 37.826 38.000 -0.288 0.000 1.012 604 I HN -0.096 nan 8.210 nan 0.000 0.421 605 Q N 0.198 120.007 119.800 0.016 0.000 2.297 605 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 605 Q C 0.660 176.886 176.000 0.377 0.000 0.962 605 Q CA 0.657 56.512 55.803 0.087 0.000 0.879 605 Q CB -0.063 28.637 28.738 -0.063 0.000 0.947 605 Q HN 0.631 nan 8.270 nan 0.000 0.462 609 Y N 2.332 122.714 120.300 0.137 0.000 2.384 609 Y HA -0.067 4.483 4.550 -0.000 0.000 0.289 609 Y C 2.313 178.403 175.900 0.316 0.000 1.152 609 Y CA 1.439 59.680 58.100 0.236 0.000 1.258 609 Y CB -0.239 38.379 38.460 0.262 0.000 0.979 609 Y HN 0.190 nan 8.280 nan 0.000 0.549 610 L N -1.869 119.516 121.223 0.270 0.000 2.275 610 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 610 L C 1.704 178.773 176.870 0.331 0.000 1.119 610 L CA 0.771 55.764 54.840 0.255 0.000 0.790 610 L CB -0.675 41.431 42.059 0.078 0.000 0.919 610 L HN 0.237 nan 8.230 nan 0.000 0.443 611 Y N 0.757 121.183 120.300 0.210 0.000 2.241 611 Y HA -0.305 4.245 4.550 -0.000 0.000 0.286 611 Y C 2.288 178.259 175.900 0.118 0.000 1.166 611 Y CA 1.470 59.648 58.100 0.131 0.000 1.203 611 Y CB -0.547 37.910 38.460 -0.006 0.000 0.977 611 Y HN 0.250 nan 8.280 nan 0.000 0.529 612 D N -1.313 119.291 120.400 0.341 0.000 2.123 612 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 612 D C 1.728 178.129 176.300 0.170 0.000 0.992 612 D CA 1.556 55.687 54.000 0.218 0.000 0.833 612 D CB -0.564 40.368 40.800 0.221 0.000 0.954 612 D HN 0.381 nan 8.370 nan 0.000 0.455 613 Y N 0.005 120.368 120.300 0.105 0.000 2.571 613 Y HA 0.175 4.725 4.550 -0.000 0.000 0.294 613 Y C 1.965 177.838 175.900 -0.044 0.000 1.141 613 Y CA 0.580 58.691 58.100 0.018 0.000 1.308 613 Y CB -0.096 38.337 38.460 -0.045 0.000 1.002 613 Y HN -0.064 nan 8.280 nan 0.000 0.551 614 A N -0.802 122.117 122.820 0.165 0.000 2.465 614 A HA 0.525 4.845 4.320 -0.000 0.000 0.255 614 A C 1.779 179.423 177.584 0.099 0.000 1.274 614 A CA 0.442 52.544 52.037 0.108 0.000 0.920 614 A CB -0.731 18.420 19.000 0.251 0.000 1.033 614 A HN 0.464 nan 8.150 nan 0.000 0.516 615 G N -0.556 108.288 108.800 0.073 0.000 2.147 615 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 615 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 615 G C -0.029 174.809 174.900 -0.102 0.000 1.005 615 G CA 0.396 45.527 45.100 0.052 0.000 0.713 615 G HN 0.604 nan 8.290 nan 0.000 0.515 616 Q N -0.670 118.951 119.800 -0.297 0.000 2.928 616 Q HA 0.209 4.548 4.340 -0.000 0.000 0.353 616 Q C -1.751 173.728 176.000 -0.868 0.000 0.870 616 Q CA -1.591 53.529 55.803 -1.139 0.000 0.963 616 Q CB 1.778 29.884 28.738 -1.052 0.000 1.419 616 Q HN 0.293 nan 8.270 nan 0.000 0.396 617 P HA -0.190 nan 4.420 nan 0.000 0.219 617 P C 0.849 178.152 177.300 0.005 0.000 1.146 617 P CA 1.118 64.192 63.100 -0.045 0.000 0.808 617 P CB -0.141 31.636 31.700 0.129 0.000 0.779 618 W N 1.254 122.614 121.300 0.101 0.000 2.374 618 W HA 0.008 4.667 4.660 -0.000 0.000 0.288 618 W C 1.768 178.377 176.519 0.151 0.000 1.218 618 W CA 0.902 58.341 57.345 0.157 0.000 1.245 618 W CB -1.521 27.936 29.460 -0.003 0.000 1.126 618 W HN -0.139 nan 8.180 nan 0.000 0.545 619 K N 0.678 120.796 120.400 -0.470 0.000 2.103 619 K HA -0.005 4.315 4.320 -0.000 0.000 0.204 619 K C 2.514 178.934 176.600 -0.299 0.000 1.052 619 K CA 1.332 57.311 56.287 -0.513 0.000 0.945 619 K CB -0.498 31.281 32.500 -1.201 0.000 0.722 619 K HN 0.230 nan 8.250 nan 0.000 0.443 620 A N 1.636 124.356 122.820 -0.166 0.000 1.877 620 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 620 A C 2.068 179.639 177.584 -0.022 0.000 1.186 620 A CA 1.452 53.506 52.037 0.029 0.000 0.620 620 A CB -0.533 18.501 19.000 0.057 0.000 0.822 620 A HN 0.296 nan 8.150 nan 0.000 0.443 621 Q N -1.920 117.907 119.800 0.044 0.000 2.061 621 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 621 Q C 2.026 177.987 176.000 -0.064 0.000 0.984 621 Q CA 2.058 57.893 55.803 0.053 0.000 0.846 621 Q CB -0.458 28.410 28.738 0.216 0.000 0.902 621 Q HN 0.844 nan 8.270 nan 0.000 0.421 622 Y N -0.526 119.685 120.300 -0.149 0.000 2.114 622 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 622 Y C 1.599 177.125 175.900 -0.622 0.000 1.143 622 Y CA 1.721 59.562 58.100 -0.431 0.000 1.135 622 Y CB -0.432 37.794 38.460 -0.390 0.000 0.980 622 Y HN 0.138 nan 8.280 nan 0.000 0.499 623 W N 0.119 121.213 121.300 -0.342 0.000 2.418 623 W HA -0.109 4.551 4.660 -0.000 0.000 0.292 623 W C 2.270 178.536 176.519 -0.421 0.000 1.213 623 W CA 0.890 57.944 57.345 -0.485 0.000 1.283 623 W CB -0.314 28.858 29.460 -0.481 0.000 1.119 623 W HN 0.074 nan 8.180 nan 0.000 0.542 624 L N -0.012 121.144 121.223 -0.111 0.000 2.017 624 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 624 L C 2.626 179.398 176.870 -0.163 0.000 1.073 624 L CA 1.271 56.054 54.840 -0.094 0.000 0.745 624 L CB -0.772 41.174 42.059 -0.188 0.000 0.894 624 L HN -0.102 nan 8.230 nan 0.000 0.432 625 R N -0.068 120.218 120.500 -0.357 0.000 2.096 625 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 625 R C 2.320 178.346 176.300 -0.457 0.000 1.127 625 R CA 1.330 57.157 56.100 -0.454 0.000 0.968 625 R CB -0.325 29.554 30.300 -0.701 0.000 0.861 625 R HN 0.312 nan 8.270 nan 0.000 0.440 626 Q N 0.005 119.463 119.800 -0.570 0.000 2.061 626 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 626 Q C 0.851 176.764 176.000 -0.145 0.000 0.984 626 Q CA 1.169 56.721 55.803 -0.419 0.000 0.846 626 Q CB -0.541 27.936 28.738 -0.435 0.000 0.902 626 Q HN 0.211 nan 8.270 nan 0.000 0.421 633 T N -0.697 113.839 114.554 -0.029 0.000 2.906 633 T HA 0.546 4.895 4.350 -0.000 0.000 0.295 633 T C -2.688 171.947 174.700 -0.110 0.000 1.061 633 T CA -2.326 59.743 62.100 -0.050 0.000 1.000 633 T CB 2.955 71.798 68.868 -0.041 0.000 1.103 633 T HN 0.281 nan 8.240 nan 0.000 0.486 634 P HA 0.213 nan 4.420 nan 0.000 0.249 634 P C 0.893 178.150 177.300 -0.071 0.000 1.229 634 P CA 0.063 63.122 63.100 -0.068 0.000 0.788 634 P CB -0.203 31.495 31.700 -0.004 0.000 1.072 635 G N 1.611 110.359 108.800 -0.086 0.000 2.563 635 G HA2 0.233 4.193 3.960 -0.000 0.000 0.283 635 G HA3 0.233 4.193 3.960 -0.000 0.000 0.283 635 G C -1.625 173.188 174.900 -0.145 0.000 1.309 635 G CA -1.144 43.889 45.100 -0.112 0.000 1.022 635 G HN -0.098 nan 8.290 nan 0.000 0.501 636 P HA -0.019 nan 4.420 nan 0.000 0.218 636 P C 0.686 177.921 177.300 -0.109 0.000 1.149 636 P CA 1.208 64.147 63.100 -0.268 0.000 0.817 636 P CB 0.170 31.386 31.700 -0.807 0.000 0.785 637 D N -1.246 119.089 120.400 -0.108 0.000 2.889 637 D HA 0.099 4.739 4.640 -0.000 0.000 0.243 637 D C 1.525 177.812 176.300 -0.022 0.000 1.270 637 D CA -0.340 53.646 54.000 -0.023 0.000 0.838 637 D CB -0.985 39.799 40.800 -0.025 0.000 1.040 637 D HN 0.037 nan 8.370 nan 0.000 0.480 638 G N -0.318 108.450 108.800 -0.055 0.000 2.408 638 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 638 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 638 G C 0.260 175.028 174.900 -0.219 0.000 1.150 638 G CA 0.401 45.399 45.100 -0.171 0.000 0.776 638 G HN 0.301 nan 8.290 nan 0.000 0.542 639 Y N -0.888 119.390 120.300 -0.037 0.000 2.354 639 Y HA 0.310 4.860 4.550 -0.000 0.000 0.322 639 Y C 1.795 177.627 175.900 -0.114 0.000 1.253 639 Y CA -0.805 57.227 58.100 -0.114 0.000 1.272 639 Y CB 0.997 39.423 38.460 -0.057 0.000 1.255 639 Y HN 0.113 nan 8.280 nan 0.000 0.500 640 C N -1.513 117.779 119.300 -0.013 0.000 2.626 640 C HA 0.730 5.190 4.460 -0.000 0.000 0.266 640 C C 0.815 175.818 174.990 0.022 0.000 1.317 640 C CA 0.206 59.215 59.018 -0.014 0.000 1.716 640 C CB -1.527 26.180 27.740 -0.054 0.000 1.819 640 C HN 0.961 nan 8.230 nan 0.000 0.578 641 G N -0.562 108.268 108.800 0.050 0.000 2.428 641 G HA2 0.412 4.372 3.960 -0.000 0.000 0.304 641 G HA3 0.412 4.372 3.960 -0.000 0.000 0.304 641 G C -2.143 172.796 174.900 0.065 0.000 1.303 641 G CA -0.555 44.589 45.100 0.073 0.000 0.825 641 G HN 0.072 nan 8.290 nan 0.000 0.484 642 D N 0.421 120.891 120.400 0.117 0.000 2.506 642 D HA 0.112 4.752 4.640 -0.000 0.000 0.234 642 D C 1.246 177.501 176.300 -0.075 0.000 1.143 642 D CA -0.003 54.049 54.000 0.086 0.000 0.871 642 D CB 1.496 42.435 40.800 0.231 0.000 1.190 642 D HN 0.441 nan 8.370 nan 0.000 0.459 643 E N 1.297 121.363 120.200 -0.224 0.000 2.216 643 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 643 E C -0.457 176.062 176.600 -0.134 0.000 0.988 643 E CA 0.379 56.534 56.400 -0.410 0.000 0.834 643 E CB 0.139 29.447 29.700 -0.653 0.000 0.772 643 E HN 0.385 nan 8.360 nan 0.000 0.479 644 D N 0.735 121.119 120.400 -0.026 0.000 2.737 644 D HA -0.220 4.420 4.640 -0.000 0.000 0.238 644 D C -0.654 175.668 176.300 0.037 0.000 1.157 644 D CA 1.022 55.066 54.000 0.073 0.000 0.694 644 D CB -2.054 38.825 40.800 0.132 0.000 1.021 644 D HN 0.407 nan 8.370 nan 0.000 0.420 645 N N -0.904 117.758 118.700 -0.063 0.000 2.716 645 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 645 N C 1.156 176.726 175.510 0.101 0.000 1.033 645 N CA 1.519 54.503 53.050 -0.110 0.000 0.727 645 N CB -0.975 37.364 38.487 -0.245 0.000 0.950 645 N HN 0.764 nan 8.380 nan 0.000 0.541 646 G N -1.449 107.412 108.800 0.102 0.000 2.232 646 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.226 646 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.226 646 G C 0.689 175.693 174.900 0.173 0.000 0.996 646 G CA 0.710 45.900 45.100 0.151 0.000 0.626 646 G HN 0.489 nan 8.290 nan 0.000 0.509 647 Q N 1.143 121.031 119.800 0.147 0.000 2.016 647 Q HA 0.040 4.380 4.340 -0.000 0.000 0.200 647 Q C 2.450 178.609 176.000 0.265 0.000 0.978 647 Q CA 3.075 58.984 55.803 0.176 0.000 0.833 647 Q CB -0.935 27.854 28.738 0.086 0.000 0.895 647 Q HN 0.455 nan 8.270 nan 0.000 0.427 648 T N 0.086 114.757 114.554 0.195 0.000 2.833 648 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 648 T C 1.907 176.946 174.700 0.565 0.000 1.054 648 T CA 1.268 63.542 62.100 0.290 0.000 1.135 648 T CB -0.272 68.650 68.868 0.090 0.000 0.869 648 T HN 0.255 nan 8.240 nan 0.000 0.466 649 S N 1.341 117.302 115.700 0.435 0.000 2.357 649 S HA 0.074 4.544 4.470 -0.000 0.000 0.221 649 S C 2.588 177.437 174.600 0.416 0.000 1.031 649 S CA 0.821 59.312 58.200 0.484 0.000 0.982 649 S CB -0.463 62.934 63.200 0.329 0.000 0.853 649 S HN 0.581 nan 8.310 nan 0.000 0.458 650 A N 0.123 123.156 122.820 0.356 0.000 2.067 650 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 650 A C 1.747 179.623 177.584 0.486 0.000 1.158 650 A CA 1.058 53.286 52.037 0.318 0.000 0.661 650 A CB -0.933 18.243 19.000 0.293 0.000 0.801 650 A HN 0.729 nan 8.150 nan 0.000 0.452 651 W N -0.825 120.739 121.300 0.439 0.000 2.338 651 W HA -0.259 4.401 4.660 -0.000 0.000 0.304 651 W C 1.966 178.753 176.519 0.446 0.000 1.212 651 W CA 2.016 59.700 57.345 0.565 0.000 1.264 651 W CB -0.330 29.461 29.460 0.551 0.000 1.142 651 W HN 0.466 nan 8.180 nan 0.000 0.512 652 Y N 0.027 120.636 120.300 0.515 0.000 2.263 652 Y HA -0.183 4.367 4.550 -0.000 0.000 0.292 652 Y C 2.221 178.140 175.900 0.031 0.000 1.130 652 Y CA 2.233 60.408 58.100 0.127 0.000 1.179 652 Y CB -0.711 37.587 38.460 -0.269 0.000 0.998 652 Y HN -0.176 nan 8.280 nan 0.000 0.532 653 V N -0.298 119.707 119.914 0.151 0.000 2.261 653 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 653 V C 2.101 178.162 176.094 -0.054 0.000 1.047 653 V CA 2.137 64.388 62.300 -0.083 0.000 1.015 653 V CB -0.924 30.738 31.823 -0.268 0.000 0.642 653 V HN 0.318 nan 8.190 nan 0.000 0.446 654 F N 0.976 120.871 119.950 -0.091 0.000 2.075 654 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 654 F C 2.778 178.374 175.800 -0.340 0.000 1.113 654 F CA 2.018 59.881 58.000 -0.229 0.000 1.218 654 F CB -0.875 38.050 39.000 -0.126 0.000 0.984 654 F HN 0.029 nan 8.300 nan 0.000 0.472 655 S N -0.162 115.441 115.700 -0.162 0.000 2.383 655 S HA -0.213 4.256 4.470 -0.000 0.000 0.229 655 S C 2.268 176.689 174.600 -0.298 0.000 1.030 655 S CA 1.031 59.034 58.200 -0.328 0.000 1.002 655 S CB -0.763 61.913 63.200 -0.874 0.000 0.829 655 S HN 0.387 nan 8.310 nan 0.000 0.467 656 A N 1.177 123.800 122.820 -0.329 0.000 1.969 656 A HA 0.068 4.388 4.320 -0.000 0.000 0.218 656 A C 2.015 179.517 177.584 -0.137 0.000 1.169 656 A CA 0.908 52.781 52.037 -0.273 0.000 0.635 656 A CB -0.564 18.343 19.000 -0.156 0.000 0.810 656 A HN 0.474 nan 8.150 nan 0.000 0.445 657 L N -1.843 119.274 121.223 -0.177 0.000 2.217 657 L HA 0.079 4.419 4.340 -0.000 0.000 0.211 657 L C 1.844 178.554 176.870 -0.267 0.000 1.107 657 L CA 0.913 55.591 54.840 -0.270 0.000 0.783 657 L CB -0.262 41.482 42.059 -0.524 0.000 0.919 657 L HN 0.602 nan 8.230 nan 0.000 0.442 658 G N -0.415 108.233 108.800 -0.253 0.000 2.183 658 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.168 658 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.168 658 G C -0.026 175.001 174.900 0.212 0.000 1.008 658 G CA -0.104 44.996 45.100 0.001 0.000 0.677 658 G HN 0.287 nan 8.290 nan 0.000 0.498 659 F N -2.058 118.014 119.950 0.203 0.000 2.711 659 F HA 0.858 5.385 4.527 -0.000 0.000 0.313 659 F C -1.053 174.837 175.800 0.151 0.000 1.141 659 F CA -2.596 55.542 58.000 0.230 0.000 0.941 659 F CB 1.188 40.307 39.000 0.199 0.000 1.349 659 F HN 0.226 nan 8.300 nan 0.000 0.464 660 Y N 1.193 121.474 120.300 -0.031 0.000 2.482 660 Y HA 0.525 5.075 4.550 -0.000 0.000 0.334 660 Y C -2.899 172.745 175.900 -0.426 0.000 1.091 660 Y CA -2.292 55.453 58.100 -0.591 0.000 1.027 660 Y CB 3.165 40.827 38.460 -1.330 0.000 1.306 660 Y HN 0.452 nan 8.280 nan 0.000 0.446 661 P HA 0.080 nan 4.420 nan 0.000 0.238 661 P C 0.507 177.547 177.300 -0.433 0.000 1.794 661 P CA 0.289 63.000 63.100 -0.649 0.000 1.088 661 P CB 0.647 31.930 31.700 -0.695 0.000 1.923 662 V N 1.118 121.014 119.914 -0.031 0.000 2.324 662 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 662 V C 1.467 177.604 176.094 0.071 0.000 1.060 662 V CA 1.803 64.241 62.300 0.230 0.000 1.042 662 V CB -0.343 31.704 31.823 0.375 0.000 0.650 662 V HN 0.540 nan 8.190 nan 0.000 0.450 663 C N 1.714 121.013 119.300 -0.002 0.000 2.816 663 C HA 0.506 4.965 4.460 -0.000 0.000 0.255 663 C C -2.567 172.420 174.990 -0.006 0.000 1.141 663 C CA -2.279 56.728 59.018 -0.018 0.000 1.554 663 C CB -0.423 27.326 27.740 0.016 0.000 1.778 663 C HN 0.289 nan 8.230 nan 0.000 0.429 664 P HA 0.264 nan 4.420 nan 0.000 0.265 664 P C 0.948 178.361 177.300 0.187 0.000 1.187 664 P CA 2.229 65.352 63.100 0.039 0.000 0.766 664 P CB 0.474 32.232 31.700 0.096 0.000 0.820 665 G N 0.893 109.730 108.800 0.062 0.000 2.254 665 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 665 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 665 G C 0.412 175.373 174.900 0.103 0.000 1.003 665 G CA 0.300 45.455 45.100 0.092 0.000 0.622 665 G HN 0.834 nan 8.290 nan 0.000 0.507 666 T N -0.799 113.807 114.554 0.086 0.000 2.862 666 T HA 0.523 4.873 4.350 -0.000 0.000 0.276 666 T C 0.784 175.376 174.700 -0.179 0.000 0.974 666 T CA 0.594 62.644 62.100 -0.083 0.000 0.966 666 T CB 1.699 70.467 68.868 -0.167 0.000 1.072 666 T HN 0.373 nan 8.240 nan 0.000 0.538 667 D N -1.096 119.204 120.400 -0.167 0.000 2.358 667 D HA 0.096 4.735 4.640 -0.000 0.000 0.224 667 D C -0.016 176.170 176.300 -0.189 0.000 1.123 667 D CA -0.289 53.608 54.000 -0.171 0.000 0.833 667 D CB -0.140 40.626 40.800 -0.056 0.000 0.946 667 D HN 0.706 nan 8.370 nan 0.000 0.505 668 E N -0.064 119.972 120.200 -0.273 0.000 2.204 668 E HA 0.345 4.695 4.350 -0.000 0.000 0.276 668 E C -1.028 175.300 176.600 -0.453 0.000 0.974 668 E CA -0.799 55.492 56.400 -0.182 0.000 0.815 668 E CB 1.340 30.987 29.700 -0.088 0.000 1.119 668 E HN 0.143 nan 8.360 nan 0.000 0.393 669 Y N 0.644 120.996 120.300 0.088 0.000 2.341 669 Y HA 0.289 4.839 4.550 -0.000 0.000 0.338 669 Y C 0.257 176.263 175.900 0.178 0.000 0.965 669 Y CA -0.843 57.305 58.100 0.079 0.000 1.108 669 Y CB 1.046 39.548 38.460 0.070 0.000 1.180 669 Y HN 0.225 nan 8.280 nan 0.000 0.458 673 T N 2.569 117.156 114.554 0.055 0.000 3.172 673 T HA 0.641 4.991 4.350 -0.000 0.000 0.320 673 T C -3.105 171.576 174.700 -0.031 0.000 1.085 673 T CA -0.794 61.324 62.100 0.031 0.000 1.052 673 T CB 2.231 71.110 68.868 0.017 0.000 1.107 673 T HN 0.376 nan 8.240 nan 0.000 0.458 674 P HA 0.248 nan 4.420 nan 0.000 0.275 674 P C 0.429 177.650 177.300 -0.132 0.000 1.228 674 P CA -0.562 62.501 63.100 -0.062 0.000 0.786 674 P CB 1.266 32.961 31.700 -0.008 0.000 0.927 675 L N 2.143 123.223 121.223 -0.239 0.000 2.249 675 L HA 0.275 4.615 4.340 -0.000 0.000 0.207 675 L C 0.528 177.076 176.870 -0.536 0.000 1.090 675 L CA 1.134 55.698 54.840 -0.460 0.000 0.802 675 L CB -0.405 41.200 42.059 -0.757 0.000 0.947 675 L HN 0.183 nan 8.230 nan 0.000 0.453 676 F N -0.750 119.114 119.950 -0.144 0.000 2.450 676 F HA 0.335 4.862 4.527 -0.000 0.000 0.328 676 F C 1.603 177.360 175.800 -0.072 0.000 1.068 676 F CA -0.604 57.328 58.000 -0.112 0.000 1.007 676 F CB 0.725 39.642 39.000 -0.139 0.000 1.251 676 F HN -0.344 nan 8.300 nan 0.000 0.492 677 K N 0.104 120.602 120.400 0.165 0.000 2.211 677 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 677 K C 0.192 176.836 176.600 0.072 0.000 1.050 677 K CA 1.150 57.489 56.287 0.087 0.000 0.945 677 K CB 0.207 32.752 32.500 0.076 0.000 0.732 677 K HN 0.378 nan 8.250 nan 0.000 0.451 678 K N -0.343 120.106 120.400 0.083 0.000 2.543 678 K HA 0.444 4.763 4.320 -0.000 0.000 0.255 678 K C -2.137 174.434 176.600 -0.048 0.000 0.934 678 K CA -0.504 55.794 56.287 0.017 0.000 0.810 678 K CB 2.125 34.630 32.500 0.009 0.000 1.315 678 K HN -0.025 nan 8.250 nan 0.000 0.433 679 A N 2.115 124.886 122.820 -0.082 0.000 2.393 679 A HA 0.665 4.985 4.320 -0.000 0.000 0.306 679 A C -1.196 176.291 177.584 -0.162 0.000 1.050 679 A CA -0.580 51.356 52.037 -0.169 0.000 0.724 679 A CB 1.867 20.763 19.000 -0.174 0.000 1.248 679 A HN 0.526 nan 8.150 nan 0.000 0.424 680 T N 3.039 117.461 114.554 -0.220 0.000 2.812 680 T HA 0.565 4.914 4.350 -0.000 0.000 0.282 680 T C -0.501 173.894 174.700 -0.508 0.000 0.990 680 T CA -0.242 61.663 62.100 -0.324 0.000 0.960 680 T CB 0.688 69.368 68.868 -0.313 0.000 0.948 680 T HN 0.475 nan 8.240 nan 0.000 0.438 681 L N 4.029 124.905 121.223 -0.578 0.000 2.295 681 L HA 0.487 4.827 4.340 -0.000 0.000 0.285 681 L C -0.049 176.198 176.870 -1.039 0.000 1.035 681 L CA -0.993 53.404 54.840 -0.738 0.000 0.806 681 L CB 0.850 42.484 42.059 -0.707 0.000 1.214 681 L HN 0.577 nan 8.230 nan 0.000 0.426 682 H N 3.864 122.583 119.070 -0.585 0.000 2.638 682 H HA 0.339 4.895 4.556 -0.000 0.000 0.303 682 H C -0.537 174.513 175.328 -0.463 0.000 1.034 682 H CA -0.517 55.252 56.048 -0.464 0.000 1.225 682 H CB 0.809 30.426 29.762 -0.241 0.000 1.394 682 H HN 0.284 nan 8.280 nan 0.000 0.477 683 F N 0.788 120.693 119.950 -0.076 0.000 2.380 683 F HA 0.091 4.618 4.527 -0.000 0.000 0.325 683 F C 1.998 177.675 175.800 -0.204 0.000 1.136 683 F CA -0.482 57.386 58.000 -0.219 0.000 1.171 683 F CB 0.838 39.570 39.000 -0.446 0.000 1.230 683 F HN 0.465 nan 8.300 nan 0.000 0.554 684 E N 0.377 120.561 120.200 -0.026 0.000 2.268 684 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 684 E C 1.371 177.927 176.600 -0.073 0.000 0.995 684 E CA 1.160 57.538 56.400 -0.038 0.000 0.836 684 E CB -0.329 29.363 29.700 -0.014 0.000 0.763 684 E HN 0.684 nan 8.360 nan 0.000 0.491 685 N N -0.509 118.090 118.700 -0.168 0.000 2.571 685 N HA -0.051 4.689 4.740 -0.000 0.000 0.189 685 N C 1.246 176.719 175.510 -0.061 0.000 1.154 685 N CA 0.478 53.442 53.050 -0.143 0.000 0.907 685 N CB 0.378 38.716 38.487 -0.250 0.000 0.977 685 N HN 0.131 nan 8.380 nan 0.000 0.449 686 G N 0.007 108.793 108.800 -0.023 0.000 2.195 686 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.246 686 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.246 686 G C -0.221 174.702 174.900 0.039 0.000 0.984 686 G CA -0.167 44.936 45.100 0.005 0.000 0.633 686 G HN 0.417 nan 8.290 nan 0.000 0.525 687 N N 0.486 119.227 118.700 0.069 0.000 2.463 687 N HA 0.709 5.449 4.740 -0.000 0.000 0.270 687 N C -0.261 175.348 175.510 0.165 0.000 1.205 687 N CA 0.269 53.397 53.050 0.130 0.000 0.974 687 N CB 1.443 40.022 38.487 0.153 0.000 1.197 687 N HN 0.219 nan 8.380 nan 0.000 0.504 688 S N 0.181 115.952 115.700 0.118 0.000 2.549 688 S HA 0.558 5.028 4.470 -0.000 0.000 0.280 688 S C -1.225 173.370 174.600 -0.008 0.000 1.109 688 S CA -0.607 57.554 58.200 -0.064 0.000 0.905 688 S CB 1.861 65.049 63.200 -0.020 0.000 1.081 688 S HN 0.418 nan 8.310 nan 0.000 0.477 689 L N 3.021 124.154 121.223 -0.149 0.000 2.356 689 L HA 0.736 5.076 4.340 -0.000 0.000 0.277 689 L C -1.355 175.453 176.870 -0.104 0.000 0.996 689 L CA -0.439 54.402 54.840 0.001 0.000 0.822 689 L CB 1.516 43.677 42.059 0.171 0.000 1.256 689 L HN 0.465 nan 8.230 nan 0.000 0.413 690 V N 6.564 126.448 119.914 -0.050 0.000 2.427 690 V HA 0.446 4.566 4.120 -0.000 0.000 0.286 690 V C 0.101 176.166 176.094 -0.049 0.000 1.034 690 V CA -0.312 61.950 62.300 -0.063 0.000 0.893 690 V CB 1.539 33.343 31.823 -0.031 0.000 0.982 690 V HN 0.592 nan 8.190 nan 0.000 0.452 691 I N 3.978 124.517 120.570 -0.051 0.000 2.371 691 I HA 0.351 4.521 4.170 -0.000 0.000 0.282 691 I C -0.575 175.532 176.117 -0.017 0.000 1.031 691 I CA -0.267 61.014 61.300 -0.032 0.000 1.180 691 I CB 1.240 39.237 38.000 -0.004 0.000 1.336 691 I HN 0.552 nan 8.210 nan 0.000 0.467 692 D N 5.543 125.937 120.400 -0.010 0.000 2.232 692 D HA 0.596 5.236 4.640 -0.000 0.000 0.242 692 D C -0.169 176.138 176.300 0.011 0.000 1.093 692 D CA -0.001 54.002 54.000 0.004 0.000 0.845 692 D CB 1.541 42.346 40.800 0.008 0.000 1.124 692 D HN 0.636 nan 8.370 nan 0.000 0.467 693 A N 4.399 127.230 122.820 0.018 0.000 3.409 693 A HA 0.311 4.631 4.320 -0.000 0.000 0.282 693 A C -2.007 175.588 177.584 0.018 0.000 1.064 693 A CA -0.815 51.233 52.037 0.018 0.000 0.889 693 A CB 0.733 19.744 19.000 0.018 0.000 1.251 693 A HN 0.397 nan 8.150 nan 0.000 0.538 694 P HA -0.104 nan 4.420 nan 0.000 0.226 694 P C 0.586 177.893 177.300 0.012 0.000 1.153 694 P CA 1.117 64.228 63.100 0.018 0.000 0.777 694 P CB 0.228 31.938 31.700 0.017 0.000 0.794 695 N N -0.396 118.308 118.700 0.006 0.000 2.268 695 N HA 0.014 4.754 4.740 -0.000 0.000 0.204 695 N C 0.323 175.829 175.510 -0.008 0.000 1.124 695 N CA -0.274 52.775 53.050 -0.001 0.000 0.838 695 N CB -0.713 37.771 38.487 -0.004 0.000 0.994 695 N HN -0.112 nan 8.380 nan 0.000 0.489 696 N N 0.443 119.140 118.700 -0.005 0.000 2.441 696 N HA 0.042 4.782 4.740 -0.000 0.000 0.251 696 N C -0.536 174.959 175.510 -0.025 0.000 1.242 696 N CA 0.491 53.531 53.050 -0.018 0.000 0.898 696 N CB 0.632 39.106 38.487 -0.021 0.000 1.100 696 N HN 0.377 nan 8.380 nan 0.000 0.443 697 S N -0.128 115.552 115.700 -0.032 0.000 2.655 697 S HA 0.251 4.721 4.470 -0.000 0.000 0.266 697 S C 0.855 175.442 174.600 -0.022 0.000 1.149 697 S CA -0.435 57.746 58.200 -0.032 0.000 0.818 697 S CB 0.316 63.502 63.200 -0.022 0.000 1.130 697 S HN 0.381 nan 8.310 nan 0.000 0.476 698 T N 1.578 116.119 114.554 -0.023 0.000 2.699 698 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 698 T C 1.235 175.984 174.700 0.082 0.000 1.036 698 T CA 2.419 64.515 62.100 -0.006 0.000 1.147 698 T CB -0.579 68.277 68.868 -0.020 0.000 0.862 698 T HN 0.719 nan 8.240 nan 0.000 0.446 699 E N 1.082 121.317 120.200 0.059 0.000 2.190 699 E HA 0.096 4.446 4.350 -0.000 0.000 0.191 699 E C 0.593 177.140 176.600 -0.089 0.000 0.978 699 E CA 0.333 56.772 56.400 0.065 0.000 0.839 699 E CB -0.147 29.558 29.700 0.008 0.000 0.787 699 E HN 0.541 nan 8.360 nan 0.000 0.473 700 N N 1.093 119.746 118.700 -0.079 0.000 2.807 700 N HA 0.107 4.847 4.740 -0.000 0.000 0.259 700 N C -0.586 174.838 175.510 -0.144 0.000 1.149 700 N CA -0.260 52.695 53.050 -0.159 0.000 1.042 700 N CB 0.136 38.578 38.487 -0.076 0.000 1.367 700 N HN 0.165 nan 8.380 nan 0.000 0.516 701 F N -1.572 118.264 119.950 -0.189 0.000 2.682 701 F HA 0.415 4.942 4.527 -0.000 0.000 0.308 701 F C -0.457 175.168 175.800 -0.292 0.000 1.093 701 F CA -0.927 56.905 58.000 -0.281 0.000 1.244 701 F CB -0.281 38.486 39.000 -0.388 0.000 1.052 701 F HN 0.035 nan 8.300 nan 0.000 0.573 702 Y N 1.970 122.151 120.300 -0.199 0.000 2.320 702 Y HA 0.502 5.052 4.550 -0.000 0.000 0.324 702 Y C 0.475 176.366 175.900 -0.015 0.000 1.190 702 Y CA -1.766 56.298 58.100 -0.060 0.000 1.215 702 Y CB 0.972 39.346 38.460 -0.142 0.000 1.221 702 Y HN -0.114 nan 8.280 nan 0.000 0.486 703 I N 3.034 123.736 120.570 0.220 0.000 2.322 703 I HA 0.029 4.198 4.170 -0.000 0.000 0.292 703 I C 0.389 176.578 176.117 0.119 0.000 1.060 703 I CA 0.140 61.525 61.300 0.142 0.000 1.309 703 I CB 0.832 38.920 38.000 0.146 0.000 1.415 703 I HN 0.709 nan 8.210 nan 0.000 0.492 704 D N 3.423 123.865 120.400 0.071 0.000 2.271 704 D HA 0.017 4.657 4.640 -0.000 0.000 0.206 704 D C 0.347 176.669 176.300 0.036 0.000 0.967 704 D CA 0.804 54.823 54.000 0.032 0.000 0.867 704 D CB 0.570 41.371 40.800 0.002 0.000 0.960 704 D HN 0.660 nan 8.370 nan 0.000 0.509 708 F N 2.577 122.513 119.950 -0.023 0.000 2.445 708 F HA 0.539 5.066 4.527 -0.000 0.000 0.348 708 F C 0.418 176.204 175.800 -0.023 0.000 1.125 708 F CA -1.242 56.710 58.000 -0.080 0.000 0.983 708 F CB 0.098 38.979 39.000 -0.197 0.000 1.198 708 F HN 0.982 nan 8.300 nan 0.000 0.436 709 N N 4.037 122.956 118.700 0.365 0.000 2.725 709 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 709 N C 1.048 176.608 175.510 0.084 0.000 1.031 709 N CA 0.739 53.878 53.050 0.148 0.000 0.720 709 N CB -0.908 37.590 38.487 0.019 0.000 0.930 709 N HN 1.169 nan 8.380 nan 0.000 0.543 710 G N -1.234 107.625 108.800 0.098 0.000 2.363 710 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.238 710 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.238 710 G C 0.330 175.273 174.900 0.072 0.000 1.062 710 G CA 0.333 45.474 45.100 0.068 0.000 0.629 710 G HN 1.084 nan 8.290 nan 0.000 0.514 711 A N 0.867 123.735 122.820 0.081 0.000 2.491 711 A HA 0.512 4.832 4.320 -0.000 0.000 0.261 711 A C 0.328 177.991 177.584 0.130 0.000 1.101 711 A CA 0.906 52.993 52.037 0.084 0.000 0.772 711 A CB 0.050 19.088 19.000 0.064 0.000 1.043 711 A HN 0.889 nan 8.150 nan 0.000 0.501 712 D N 1.270 121.730 120.400 0.100 0.000 2.488 712 D HA 0.041 4.681 4.640 -0.000 0.000 0.238 712 D C -0.005 176.389 176.300 0.158 0.000 1.138 712 D CA 0.913 54.979 54.000 0.109 0.000 0.873 712 D CB 0.220 41.059 40.800 0.065 0.000 1.183 712 D HN 0.551 nan 8.370 nan 0.000 0.458 713 H N 2.563 121.665 119.070 0.053 0.000 3.078 713 H HA 0.211 4.767 4.556 -0.000 0.000 0.319 713 H C -0.084 175.261 175.328 0.029 0.000 0.995 713 H CA -0.298 55.778 56.048 0.046 0.000 1.417 713 H CB 1.209 31.022 29.762 0.085 0.000 1.598 713 H HN 0.569 nan 8.280 nan 0.000 0.515 714 T N 0.915 115.372 114.554 -0.161 0.000 3.023 714 T HA 0.219 4.569 4.350 -0.000 0.000 0.253 714 T C 0.614 175.222 174.700 -0.152 0.000 1.038 714 T CA -0.352 61.700 62.100 -0.079 0.000 0.962 714 T CB 0.578 69.426 68.868 -0.033 0.000 1.018 714 T HN 0.333 nan 8.240 nan 0.000 0.521 715 K N 1.962 122.097 120.400 -0.443 0.000 2.355 715 K HA 0.214 4.534 4.320 -0.000 0.000 0.270 715 K C 0.121 176.631 176.600 -0.149 0.000 1.003 715 K CA -0.024 56.033 56.287 -0.383 0.000 0.957 715 K CB 0.350 32.387 32.500 -0.772 0.000 0.939 715 K HN 0.245 nan 8.250 nan 0.000 0.482 716 N N 1.358 120.075 118.700 0.027 0.000 2.362 716 N HA 0.017 4.757 4.740 -0.000 0.000 0.211 716 N C -1.205 174.464 175.510 0.265 0.000 1.170 716 N CA -0.094 53.046 53.050 0.151 0.000 0.828 716 N CB 0.018 38.583 38.487 0.130 0.000 1.034 716 N HN 0.411 nan 8.380 nan 0.000 0.475 717 Y N -2.240 118.150 120.300 0.150 0.000 2.609 717 Y HA 0.608 5.158 4.550 -0.000 0.000 0.336 717 Y C -1.683 174.361 175.900 0.241 0.000 1.129 717 Y CA -1.472 56.728 58.100 0.167 0.000 1.040 717 Y CB 0.983 39.500 38.460 0.094 0.000 1.310 717 Y HN -0.308 nan 8.280 nan 0.000 0.460 718 L N 2.837 124.223 121.223 0.272 0.000 2.354 718 L HA 0.682 5.021 4.340 -0.000 0.000 0.269 718 L C -0.470 176.604 176.870 0.339 0.000 1.005 718 L CA -1.161 53.774 54.840 0.159 0.000 0.819 718 L CB 2.325 44.287 42.059 -0.162 0.000 1.311 718 L HN 0.690 nan 8.230 nan 0.000 0.423 719 R N -0.038 120.644 120.500 0.302 0.000 2.312 719 R HA 0.209 4.549 4.340 -0.000 0.000 0.311 719 R C 0.495 176.927 176.300 0.219 0.000 1.004 719 R CA -0.725 55.541 56.100 0.278 0.000 0.902 719 R CB 1.502 31.944 30.300 0.236 0.000 1.073 719 R HN 0.532 nan 8.270 nan 0.000 0.457 720 H N 2.338 121.485 119.070 0.128 0.000 2.321 720 H HA -0.227 4.329 4.556 -0.000 0.000 0.295 720 H C 0.934 176.117 175.328 -0.241 0.000 1.102 720 H CA 2.515 58.547 56.048 -0.027 0.000 1.266 720 H CB 0.465 30.148 29.762 -0.132 0.000 1.363 720 H HN 0.647 nan 8.280 nan 0.000 0.492 721 E N -0.092 120.070 120.200 -0.063 0.000 2.110 721 E HA -0.128 4.221 4.350 -0.000 0.000 0.193 721 E C 1.945 178.518 176.600 -0.044 0.000 0.988 721 E CA 1.337 57.693 56.400 -0.074 0.000 0.804 721 E CB -0.038 29.671 29.700 0.014 0.000 0.745 721 E HN 0.595 nan 8.360 nan 0.000 0.458 722 D N 0.183 120.587 120.400 0.007 0.000 2.117 722 D HA -0.104 4.535 4.640 -0.000 0.000 0.198 722 D C 1.994 178.377 176.300 0.139 0.000 0.982 722 D CA 0.735 54.757 54.000 0.035 0.000 0.828 722 D CB -0.193 40.649 40.800 0.070 0.000 0.967 722 D HN 0.169 nan 8.370 nan 0.000 0.464 723 L N -0.156 121.115 121.223 0.080 0.000 2.017 723 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 723 L C 2.378 179.213 176.870 -0.058 0.000 1.073 723 L CA 0.776 55.644 54.840 0.047 0.000 0.745 723 L CB -0.457 41.503 42.059 -0.165 0.000 0.894 723 L HN -0.042 nan 8.230 nan 0.000 0.432 724 F N 0.925 120.526 119.950 -0.583 0.000 2.250 724 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 724 F C 2.391 178.058 175.800 -0.223 0.000 1.077 724 F CA 1.086 58.679 58.000 -0.679 0.000 1.348 724 F CB -0.649 38.008 39.000 -0.571 0.000 1.040 724 F HN 0.029 nan 8.300 nan 0.000 0.509 725 K N -0.336 120.108 120.400 0.073 0.000 2.288 725 K HA 0.185 4.504 4.320 -0.000 0.000 0.201 725 K C 1.165 177.834 176.600 0.115 0.000 1.048 725 K CA 0.625 56.952 56.287 0.067 0.000 0.956 725 K CB -0.376 32.138 32.500 0.024 0.000 0.746 725 K HN 0.356 nan 8.250 nan 0.000 0.461 726 G N -0.548 108.374 108.800 0.204 0.000 2.685 726 G HA2 0.166 4.126 3.960 -0.000 0.000 0.387 726 G HA3 0.166 4.126 3.960 -0.000 0.000 0.387 726 G C 0.099 175.133 174.900 0.223 0.000 1.324 726 G CA -0.557 44.693 45.100 0.249 0.000 0.878 726 G HN 0.621 nan 8.290 nan 0.000 0.527 727 G N -2.679 106.229 108.800 0.180 0.000 2.295 727 G HA2 0.567 4.527 3.960 -0.000 0.000 0.195 727 G HA3 0.567 4.527 3.960 -0.000 0.000 0.195 727 G C -0.363 174.625 174.900 0.147 0.000 1.269 727 G CA 0.567 45.769 45.100 0.168 0.000 1.170 727 G HN 2.224 nan 8.290 nan 0.000 0.511 728 T N 0.702 115.359 114.554 0.172 0.000 2.928 728 T HA 0.628 4.978 4.350 -0.000 0.000 0.296 728 T C -0.250 174.502 174.700 0.086 0.000 1.000 728 T CA -0.254 61.902 62.100 0.092 0.000 0.989 728 T CB 1.323 70.233 68.868 0.070 0.000 1.005 728 T HN 0.612 nan 8.240 nan 0.000 0.442 729 I N 2.923 123.460 120.570 -0.054 0.000 2.359 729 I HA 0.479 4.649 4.170 -0.000 0.000 0.294 729 I C 0.113 176.201 176.117 -0.049 0.000 0.987 729 I CA -0.780 60.438 61.300 -0.137 0.000 1.225 729 I CB 1.626 39.420 38.000 -0.343 0.000 1.366 729 I HN 0.312 nan 8.210 nan 0.000 0.466 730 K N 6.183 126.574 120.400 -0.015 0.000 2.323 730 K HA 0.640 4.960 4.320 -0.000 0.000 0.259 730 K C -1.616 174.992 176.600 0.013 0.000 0.947 730 K CA -0.533 55.758 56.287 0.008 0.000 0.819 730 K CB 1.756 34.271 32.500 0.026 0.000 1.109 730 K HN 0.412 nan 8.250 nan 0.000 0.429 731 V N 3.802 123.726 119.914 0.016 0.000 2.409 731 V HA 0.272 4.392 4.120 -0.000 0.000 0.291 731 V C -0.266 175.845 176.094 0.029 0.000 1.020 731 V CA -0.998 61.319 62.300 0.029 0.000 0.848 731 V CB 1.410 33.253 31.823 0.033 0.000 0.990 731 V HN 0.825 nan 8.190 nan 0.000 0.430 735 N N 1.241 119.889 118.700 -0.086 0.000 2.398 735 N HA 0.126 4.865 4.740 -0.000 0.000 0.188 735 N C 0.160 175.647 175.510 -0.039 0.000 1.122 735 N CA -0.057 52.912 53.050 -0.135 0.000 0.866 735 N CB -0.021 38.400 38.487 -0.109 0.000 0.970 735 N HN 0.343 nan 8.380 nan 0.000 0.462 736 R N 0.546 120.997 120.500 -0.082 0.000 2.807 736 R HA 0.597 4.937 4.340 -0.000 0.000 0.276 736 R C -2.712 173.171 176.300 -0.695 0.000 0.979 736 R CA -1.435 54.480 56.100 -0.308 0.000 0.928 736 R CB 1.606 31.765 30.300 -0.235 0.000 1.191 736 R HN 0.250 nan 8.270 nan 0.000 0.471 737 P HA 0.177 nan 4.420 nan 0.000 0.277 737 P C -0.994 175.951 177.300 -0.592 0.000 1.240 737 P CA -0.507 61.922 63.100 -1.119 0.000 0.798 737 P CB 0.698 31.744 31.700 -1.090 0.000 0.979 738 N N 2.395 120.865 118.700 -0.383 0.000 2.527 738 N HA 0.088 4.828 4.740 -0.000 0.000 0.236 738 N C 0.677 175.924 175.510 -0.439 0.000 0.999 738 N CA -0.312 52.557 53.050 -0.302 0.000 0.935 738 N CB -0.074 38.345 38.487 -0.114 0.000 1.132 738 N HN 0.109 nan 8.380 nan 0.000 0.511 739 L N 3.342 124.140 121.223 -0.709 0.000 2.549 739 L HA 0.043 4.382 4.340 -0.000 0.000 0.229 739 L C 1.119 177.685 176.870 -0.507 0.000 1.158 739 L CA 1.065 55.216 54.840 -1.149 0.000 0.842 739 L CB -0.704 40.832 42.059 -0.872 0.000 0.952 739 L HN 0.553 nan 8.230 nan 0.000 0.452 740 N N -1.553 117.017 118.700 -0.217 0.000 2.414 740 N HA 0.066 4.806 4.740 -0.000 0.000 0.177 740 N C 0.764 176.309 175.510 0.059 0.000 1.062 740 N CA -0.183 52.839 53.050 -0.045 0.000 0.890 740 N CB 0.396 38.846 38.487 -0.062 0.000 1.070 740 N HN 0.103 nan 8.380 nan 0.000 0.454 741 R N 0.791 121.337 120.500 0.078 0.000 2.389 741 R HA 0.255 4.594 4.340 -0.000 0.000 0.295 741 R C 0.297 176.711 176.300 0.190 0.000 1.075 741 R CA 0.685 56.854 56.100 0.115 0.000 1.005 741 R CB 0.258 30.619 30.300 0.101 0.000 0.987 741 R HN 0.243 nan 8.270 nan 0.000 0.452 742 G N 2.739 111.619 108.800 0.133 0.000 2.160 742 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 742 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 742 G C 0.455 175.438 174.900 0.139 0.000 1.022 742 G CA 0.638 45.814 45.100 0.125 0.000 0.741 742 G HN 0.762 nan 8.290 nan 0.000 0.508 743 T N -2.982 111.660 114.554 0.146 0.000 3.023 743 T HA 0.409 4.759 4.350 -0.000 0.000 0.253 743 T C 0.947 175.706 174.700 0.098 0.000 1.038 743 T CA 0.447 62.638 62.100 0.150 0.000 0.962 743 T CB 0.593 69.582 68.868 0.202 0.000 1.018 743 T HN 0.499 nan 8.240 nan 0.000 0.521 744 K N 1.498 121.942 120.400 0.074 0.000 2.126 744 K HA 0.266 4.585 4.320 -0.000 0.000 0.257 744 K C 1.154 177.783 176.600 0.049 0.000 1.007 744 K CA -0.678 55.642 56.287 0.054 0.000 0.928 744 K CB 0.990 33.515 32.500 0.041 0.000 1.013 744 K HN -0.094 nan 8.250 nan 0.000 0.473 745 E N 2.187 122.412 120.200 0.041 0.000 2.118 745 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 745 E C 1.182 177.810 176.600 0.046 0.000 0.992 745 E CA 1.569 57.990 56.400 0.036 0.000 0.804 745 E CB 0.279 29.994 29.700 0.026 0.000 0.741 745 E HN 0.574 nan 8.360 nan 0.000 0.458 746 E N 1.041 121.270 120.200 0.048 0.000 2.338 746 E HA -0.077 4.272 4.350 -0.000 0.000 0.197 746 E C 0.394 177.048 176.600 0.091 0.000 1.007 746 E CA 0.375 56.815 56.400 0.066 0.000 0.849 746 E CB -0.281 29.446 29.700 0.045 0.000 0.774 746 E HN 0.210 nan 8.360 nan 0.000 0.506 750 Y N 1.153 121.297 120.300 -0.261 0.000 2.717 750 Y HA 0.437 4.986 4.550 -0.000 0.000 0.330 750 Y C -0.272 175.695 175.900 0.111 0.000 1.217 750 Y CA 1.258 59.330 58.100 -0.047 0.000 1.506 750 Y CB 0.306 38.755 38.460 -0.018 0.000 1.268 750 Y HN 0.243 nan 8.280 nan 0.000 0.561 751 S N 7.320 122.638 115.700 -0.636 0.000 2.547 751 S HA 0.170 4.640 4.470 -0.000 0.000 0.281 751 S C 0.067 174.266 174.600 -0.668 0.000 1.118 751 S CA -0.816 57.079 58.200 -0.508 0.000 0.947 751 S CB 0.994 64.082 63.200 -0.187 0.000 1.053 751 S HN 0.742 nan 8.310 nan 0.000 0.482 752 F N 3.282 122.933 119.950 -0.497 0.000 2.126 752 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 752 F C 2.277 178.033 175.800 -0.074 0.000 1.096 752 F CA 1.769 59.708 58.000 -0.102 0.000 1.255 752 F CB -0.766 38.360 39.000 0.210 0.000 0.997 752 F HN 0.562 nan 8.300 nan 0.000 0.479 753 S N -0.128 115.476 115.700 -0.160 0.000 2.419 753 S HA -0.203 4.267 4.470 -0.000 0.000 0.235 753 S C 1.927 176.410 174.600 -0.195 0.000 1.019 753 S CA 1.417 59.479 58.200 -0.230 0.000 0.982 753 S CB -0.249 62.871 63.200 -0.133 0.000 0.789 753 S HN 0.424 nan 8.310 nan 0.000 0.490 754 K N 0.625 120.919 120.400 -0.175 0.000 2.262 754 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 754 K C 1.050 177.599 176.600 -0.086 0.000 1.049 754 K CA 0.116 56.327 56.287 -0.128 0.000 0.979 754 K CB 0.104 32.526 32.500 -0.130 0.000 0.773 754 K HN 0.238 nan 8.250 nan 0.000 0.474 755 E N 0.000 120.156 120.200 -0.074 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 755 E CA 0.000 56.447 56.400 0.079 0.000 0.976 755 E CB 0.000 29.897 29.700 0.329 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440