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 2ww1_1_A DATA FIRST_RESID 20 DATA SEQUENCE KDWTQYVNPL MGSQSTFELS TGNTYPAIAR PWGMNFWTPQ TGKMGDGWQY DATA SEQUENCE TYTANKIRGF KQTHQPSPWI NDYGQFSIMP IVGQPVFDEE KRASWFAHKG DATA SEQUENCE EVATPYYYKV YLAEHDIVTE MTPTERAVLF RFTFPENDHS YVVVDAFDKG DATA SEQUENCE SYIKIIPEEN KIIGYTTRNS GGVPENFKNY FIIEFDKPFT YKATVENGNL DATA SEQUENCE QENVAEQTTD HAGAIIGFKT RKGEQVNARI ASSFISFEQA AANMNELGKD DATA SEQUENCE NIEQLAQKGK DAWNQVLGKI EVEGGNLDQY RTFYSCLYRS LLFPRKFYEL DATA SEQUENCE DANGQPIHYS PYNGQVLPGY MFTDTGFWDT FRCLFPLLNL MYPSVNKEMQ DATA SEQUENCE EGLINTYLES GFFPEWASPG HRGCMVGNNS ASILVDAYMK GVKVDDIKTL DATA SEQUENCE YEGLIHGTEN VHPEVSSTGR LGYEYYNKLG YVPYDVKINE NAARTLEYAY DATA SEQUENCE DDWCIYRLAK ELKRPKKEIS LFAKRAMNYK NLFDKESKLM RGRNEDGTFQ DATA SEQUENCE SPFSPLKWGD AFTEGNSWHY TWSVFHDPQG LIDLMGGKEM FVTMMDSVFA DATA SEQUENCE VPPIFDDSYY GQVIHEIREM TVMNMGNYAH GNQPIQHMIY LYDYAGQPWK DATA SEQUENCE AQYWLRQVMD RMYTPGPDGY CGDEDNGQTS AWYVFSALGF YPVCPGTDEY DATA SEQUENCE VMGTPLFKKA TLHFENGNSL VIDAPNNSTE NFYIDSMSFN GADHTKNYLR DATA SEQUENCE HEDLFKGGTI KVDMSNRPNL NRGTKEEDMP YSFSKEL 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 0.000 176.117 176.600 -0.805 0.000 0.988 20 K CA 0.000 55.934 56.287 -0.588 0.000 0.838 20 K CB 0.000 32.066 32.500 -0.724 0.000 1.064 21 D N 1.021 120.945 120.400 -0.793 0.000 2.278 21 D HA 0.614 5.164 4.640 -0.150 0.000 0.245 21 D C 0.201 176.014 176.300 -0.810 0.000 1.052 21 D CA -0.375 53.249 54.000 -0.626 0.000 0.834 21 D CB 0.732 41.303 40.800 -0.382 0.000 1.194 21 D HN 0.549 nan 8.370 nan 0.000 0.481 22 W N 1.999 123.168 121.300 -0.219 0.000 2.993 22 W HA -0.010 4.562 4.660 -0.147 0.000 0.290 22 W C 1.876 178.252 176.519 -0.238 0.000 1.203 22 W CA 0.604 57.755 57.345 -0.324 0.000 1.582 22 W CB -0.370 28.821 29.460 -0.450 0.000 1.033 22 W HN 0.558 nan 8.180 nan 0.000 0.594 23 T N -0.469 114.114 114.554 0.049 0.000 2.849 23 T HA -0.307 3.953 4.350 -0.150 0.000 0.270 23 T C 1.674 176.336 174.700 -0.064 0.000 1.066 23 T CA 1.747 63.873 62.100 0.044 0.000 1.130 23 T CB -0.468 68.510 68.868 0.183 0.000 0.864 23 T HN 0.384 nan 8.240 nan 0.000 0.481 24 Q N -0.187 119.478 119.800 -0.224 0.000 2.368 24 Q HA -0.153 4.097 4.340 -0.150 0.000 0.210 24 Q C 1.291 177.140 176.000 -0.252 0.000 0.982 24 Q CA 1.305 56.927 55.803 -0.301 0.000 0.884 24 Q CB -0.654 27.789 28.738 -0.491 0.000 0.933 24 Q HN 0.647 nan 8.270 nan 0.000 0.460 25 Y N 0.347 120.668 120.300 0.035 0.000 2.478 25 Y HA 0.253 4.714 4.550 -0.149 0.000 0.261 25 Y C 0.638 176.604 175.900 0.109 0.000 1.127 25 Y CA -0.718 57.459 58.100 0.128 0.000 1.288 25 Y CB 0.678 39.301 38.460 0.272 0.000 1.084 25 Y HN -0.121 nan 8.280 nan 0.000 0.530 26 V N 2.187 122.173 119.914 0.121 0.000 2.508 26 V HA 0.067 4.097 4.120 -0.150 0.000 0.281 26 V C -0.063 175.955 176.094 -0.127 0.000 1.041 26 V CA -0.482 61.789 62.300 -0.047 0.000 1.016 26 V CB 0.783 32.401 31.823 -0.341 0.000 0.984 26 V HN 0.222 nan 8.190 nan 0.000 0.478 27 N N 6.800 125.452 118.700 -0.080 0.000 2.558 27 N HA 0.412 5.062 4.740 -0.150 0.000 0.242 27 N C -2.016 173.447 175.510 -0.078 0.000 0.979 27 N CA -2.223 50.786 53.050 -0.069 0.000 0.931 27 N CB 2.070 40.559 38.487 0.003 0.000 1.122 27 N HN 0.211 nan 8.380 nan 0.000 0.508 28 P HA 0.032 nan 4.420 nan 0.000 0.234 28 P C 0.911 178.238 177.300 0.044 0.000 1.167 28 P CA 0.723 63.779 63.100 -0.073 0.000 0.763 28 P CB 0.346 31.939 31.700 -0.178 0.000 0.835 29 L N -2.131 119.127 121.223 0.057 0.000 2.492 29 L HA 0.150 4.401 4.340 -0.150 0.000 0.223 29 L C 1.408 178.344 176.870 0.111 0.000 1.132 29 L CA -0.068 54.848 54.840 0.127 0.000 0.850 29 L CB -0.542 41.624 42.059 0.179 0.000 0.966 29 L HN 0.097 nan 8.230 nan 0.000 0.454 30 M N 0.957 120.610 119.600 0.090 0.000 2.356 30 M HA 0.162 4.552 4.480 -0.150 0.000 0.348 30 M C 1.010 177.439 176.300 0.215 0.000 1.595 30 M CA 1.272 56.623 55.300 0.084 0.000 1.095 30 M CB 0.153 32.784 32.600 0.051 0.000 1.963 30 M HN 0.261 nan 8.290 nan 0.000 0.459 31 G N 2.221 111.142 108.800 0.202 0.000 2.176 31 G HA2 -0.276 3.595 3.960 -0.150 0.000 0.232 31 G HA3 -0.276 3.595 3.960 -0.150 0.000 0.232 31 G C 0.586 175.618 174.900 0.221 0.000 0.986 31 G CA 0.514 45.784 45.100 0.283 0.000 0.643 31 G HN 0.915 nan 8.290 nan 0.000 0.522 32 S N -0.843 114.995 115.700 0.231 0.000 2.496 32 S HA 0.185 4.565 4.470 -0.150 0.000 0.224 32 S C 1.174 175.965 174.600 0.319 0.000 0.996 32 S CA 1.161 59.568 58.200 0.345 0.000 0.927 32 S CB 0.193 63.719 63.200 0.544 0.000 0.774 32 S HN 0.573 nan 8.310 nan 0.000 0.524 33 Q N 1.858 121.782 119.800 0.207 0.000 3.247 33 Q HA 0.400 4.650 4.340 -0.150 0.000 0.326 33 Q C -1.051 175.041 176.000 0.153 0.000 1.402 33 Q CA -0.266 55.643 55.803 0.176 0.000 0.994 33 Q CB -0.129 28.642 28.738 0.053 0.000 1.647 33 Q HN 0.348 nan 8.270 nan 0.000 0.523 34 S N 0.081 115.901 115.700 0.200 0.000 2.568 34 S HA 0.692 5.072 4.470 -0.150 0.000 0.293 34 S C -0.611 174.088 174.600 0.165 0.000 1.089 34 S CA -0.645 57.676 58.200 0.203 0.000 0.945 34 S CB 1.925 65.296 63.200 0.286 0.000 1.077 34 S HN 0.581 nan 8.310 nan 0.000 0.485 35 T N -1.129 113.469 114.554 0.073 0.000 2.883 35 T HA 0.525 4.785 4.350 -0.150 0.000 0.296 35 T C 0.604 175.229 174.700 -0.124 0.000 1.117 35 T CA -0.747 61.271 62.100 -0.137 0.000 1.006 35 T CB 0.597 69.406 68.868 -0.099 0.000 1.191 35 T HN 0.347 nan 8.240 nan 0.000 0.508 36 F N 1.652 121.269 119.950 -0.555 0.000 2.115 36 F HA -0.083 4.358 4.527 -0.143 0.000 0.300 36 F C 1.961 177.772 175.800 0.020 0.000 1.092 36 F CA 1.987 59.807 58.000 -0.300 0.000 1.245 36 F CB -0.251 38.482 39.000 -0.444 0.000 0.995 36 F HN 0.714 nan 8.300 nan 0.000 0.481 37 E N -0.090 120.126 120.200 0.027 0.000 2.216 37 E HA 0.103 4.363 4.350 -0.150 0.000 0.192 37 E C -0.291 176.311 176.600 0.003 0.000 0.988 37 E CA 0.649 57.050 56.400 0.003 0.000 0.834 37 E CB 0.141 29.881 29.700 0.067 0.000 0.772 37 E HN 0.305 nan 8.360 nan 0.000 0.479 38 L N -0.043 121.186 121.223 0.011 0.000 2.611 38 L HA 0.312 4.562 4.340 -0.150 0.000 0.263 38 L C -1.070 175.830 176.870 0.050 0.000 0.969 38 L CA -0.356 54.508 54.840 0.041 0.000 0.894 38 L CB 1.950 44.026 42.059 0.029 0.000 1.229 38 L HN -0.165 nan 8.230 nan 0.000 0.416 39 S N 1.508 117.245 115.700 0.062 0.000 2.513 39 S HA 0.466 4.846 4.470 -0.150 0.000 0.276 39 S C 0.844 175.510 174.600 0.110 0.000 1.254 39 S CA 0.281 58.530 58.200 0.082 0.000 1.053 39 S CB 0.738 63.975 63.200 0.063 0.000 0.958 39 S HN 0.744 nan 8.310 nan 0.000 0.491 40 T N 1.309 115.939 114.554 0.126 0.000 3.248 40 T HA 0.557 4.817 4.350 -0.150 0.000 0.271 40 T C 1.070 175.905 174.700 0.225 0.000 1.005 40 T CA 0.202 62.386 62.100 0.140 0.000 0.902 40 T CB 0.073 69.003 68.868 0.103 0.000 1.102 40 T HN 1.138 nan 8.240 nan 0.000 0.548 41 G N 1.519 110.416 108.800 0.163 0.000 3.345 41 G HA2 -0.159 3.711 3.960 -0.150 0.000 0.199 41 G HA3 -0.159 3.711 3.960 -0.150 0.000 0.199 41 G C 0.211 175.121 174.900 0.017 0.000 1.057 41 G CA -0.217 44.920 45.100 0.062 0.000 0.865 41 G HN 0.383 nan 8.290 nan 0.000 0.449 42 N N 1.508 120.259 118.700 0.087 0.000 2.725 42 N HA -0.149 4.501 4.740 -0.150 0.000 0.251 42 N C 0.424 175.924 175.510 -0.017 0.000 1.031 42 N CA 1.937 55.003 53.050 0.026 0.000 0.720 42 N CB -1.533 36.929 38.487 -0.042 0.000 0.930 42 N HN 1.372 nan 8.380 nan 0.000 0.543 43 T N -2.406 112.179 114.554 0.051 0.000 2.948 43 T HA 0.753 5.014 4.350 -0.150 0.000 0.285 43 T C -0.016 174.766 174.700 0.136 0.000 1.019 43 T CA -0.729 61.376 62.100 0.008 0.000 1.013 43 T CB 1.997 70.863 68.868 -0.003 0.000 1.117 43 T HN 0.238 nan 8.240 nan 0.000 0.533 44 Y N -2.229 118.123 120.300 0.085 0.000 2.602 44 Y HA 0.752 5.214 4.550 -0.148 0.000 0.342 44 Y C -3.150 172.736 175.900 -0.024 0.000 1.029 44 Y CA -3.629 54.506 58.100 0.059 0.000 1.080 44 Y CB 0.349 38.839 38.460 0.050 0.000 1.284 44 Y HN 0.365 nan 8.280 nan 0.000 0.485 45 P HA 0.257 nan 4.420 nan 0.000 0.273 45 P C -0.827 176.467 177.300 -0.011 0.000 1.319 45 P CA 0.107 63.147 63.100 -0.101 0.000 0.885 45 P CB 0.327 31.852 31.700 -0.292 0.000 1.015 46 A N 5.884 128.667 122.820 -0.062 0.000 2.415 46 A HA 0.351 4.581 4.320 -0.150 0.000 0.309 46 A C 0.183 177.702 177.584 -0.108 0.000 1.356 46 A CA -0.426 51.529 52.037 -0.136 0.000 0.998 46 A CB -0.428 18.246 19.000 -0.543 0.000 1.145 46 A HN 0.357 nan 8.150 nan 0.000 0.545 47 I N 2.275 122.829 120.570 -0.027 0.000 2.291 47 I HA 0.571 4.652 4.170 -0.150 0.000 0.292 47 I C 0.548 176.727 176.117 0.103 0.000 1.064 47 I CA 0.126 61.439 61.300 0.021 0.000 1.269 47 I CB -0.374 37.642 38.000 0.028 0.000 1.418 47 I HN 0.699 nan 8.210 nan 0.000 0.485 48 A N 7.041 129.952 122.820 0.152 0.000 2.586 48 A HA 0.709 4.940 4.320 -0.150 0.000 0.291 48 A C -0.477 177.364 177.584 0.428 0.000 1.062 48 A CA -0.887 51.287 52.037 0.229 0.000 0.666 48 A CB 1.603 20.539 19.000 -0.106 0.000 1.281 48 A HN 0.450 nan 8.150 nan 0.000 0.421 49 R N -0.039 120.639 120.500 0.297 0.000 2.577 49 R HA 0.468 4.718 4.340 -0.150 0.000 0.269 49 R C -2.628 173.612 176.300 -0.100 0.000 1.084 49 R CA -2.042 54.105 56.100 0.079 0.000 1.163 49 R CB -0.513 29.816 30.300 0.047 0.000 1.100 49 R HN 0.420 nan 8.270 nan 0.000 0.547 50 P HA -0.101 nan 4.420 nan 0.000 0.262 50 P C -0.231 176.945 177.300 -0.207 0.000 1.182 50 P CA 0.355 62.906 63.100 -0.915 0.000 0.761 50 P CB 0.210 31.151 31.700 -1.265 0.000 0.795 51 W N 0.174 121.518 121.300 0.074 0.000 4.650 51 W HA -0.163 4.404 4.660 -0.156 0.000 0.335 51 W C 0.712 177.354 176.519 0.206 0.000 1.222 51 W CA 0.918 58.375 57.345 0.186 0.000 0.807 51 W CB -2.458 27.140 29.460 0.229 0.000 2.290 51 W HN 0.479 nan 8.180 nan 0.000 1.514 52 G N 0.794 109.864 108.800 0.450 0.000 2.414 52 G HA2 0.189 4.059 3.960 -0.150 0.000 0.236 52 G HA3 0.189 4.059 3.960 -0.150 0.000 0.236 52 G C 0.833 175.868 174.900 0.225 0.000 1.293 52 G CA 0.256 45.578 45.100 0.371 0.000 0.869 52 G HN 0.261 nan 8.290 nan 0.000 0.556 53 M N 1.537 121.227 119.600 0.150 0.000 2.117 53 M HA -0.028 4.362 4.480 -0.150 0.000 0.262 53 M C 0.145 176.576 176.300 0.218 0.000 1.065 53 M CA 1.133 56.520 55.300 0.147 0.000 1.114 53 M CB 0.013 32.672 32.600 0.097 0.000 1.361 53 M HN 0.417 nan 8.290 nan 0.000 0.408 54 N N 0.133 118.955 118.700 0.204 0.000 2.372 54 N HA 0.283 4.934 4.740 -0.150 0.000 0.285 54 N C -1.593 174.028 175.510 0.183 0.000 1.008 54 N CA -0.306 52.788 53.050 0.075 0.000 0.880 54 N CB 1.228 39.812 38.487 0.162 0.000 1.239 54 N HN -0.012 nan 8.380 nan 0.000 0.484 55 F N 0.692 120.484 119.950 -0.264 0.000 2.397 55 F HA 0.477 4.912 4.527 -0.153 0.000 0.331 55 F C 0.070 175.658 175.800 -0.355 0.000 1.090 55 F CA -1.203 56.723 58.000 -0.122 0.000 1.065 55 F CB 0.694 39.677 39.000 -0.029 0.000 1.184 55 F HN 0.300 nan 8.300 nan 0.000 0.499 56 W N 0.502 121.871 121.300 0.114 0.000 2.736 56 W HA 0.573 5.144 4.660 -0.149 0.000 0.335 56 W C -0.283 176.210 176.519 -0.043 0.000 1.059 56 W CA -0.545 56.796 57.345 -0.007 0.000 1.226 56 W CB 2.168 31.608 29.460 -0.034 0.000 1.416 56 W HN 0.396 nan 8.180 nan 0.000 0.505 57 T N 4.008 118.622 114.554 0.100 0.000 2.982 57 T HA 0.439 4.699 4.350 -0.150 0.000 0.321 57 T C -2.870 171.745 174.700 -0.141 0.000 1.229 57 T CA -2.048 60.010 62.100 -0.070 0.000 1.044 57 T CB 1.407 70.237 68.868 -0.064 0.000 1.184 57 T HN 0.081 nan 8.240 nan 0.000 0.477 58 P HA 0.124 nan 4.420 nan 0.000 0.268 58 P C -1.095 176.112 177.300 -0.156 0.000 1.205 58 P CA -0.057 62.796 63.100 -0.412 0.000 0.771 58 P CB 0.462 31.880 31.700 -0.471 0.000 0.858 59 Q N 1.755 121.412 119.800 -0.238 0.000 2.348 59 Q HA 0.269 4.519 4.340 -0.150 0.000 0.265 59 Q C 0.672 176.590 176.000 -0.136 0.000 0.998 59 Q CA -0.366 55.368 55.803 -0.113 0.000 0.831 59 Q CB 0.990 29.664 28.738 -0.106 0.000 1.251 59 Q HN 0.520 nan 8.270 nan 0.000 0.456 60 T N -0.243 114.263 114.554 -0.080 0.000 3.040 60 T HA 0.250 4.510 4.350 -0.150 0.000 0.252 60 T C 0.864 175.503 174.700 -0.101 0.000 1.064 60 T CA 0.376 62.397 62.100 -0.132 0.000 1.110 60 T CB 0.263 69.011 68.868 -0.200 0.000 0.921 60 T HN 0.500 nan 8.240 nan 0.000 0.480 61 G N 1.294 110.062 108.800 -0.055 0.000 2.507 61 G HA2 0.479 4.349 3.960 -0.150 0.000 0.271 61 G HA3 0.479 4.349 3.960 -0.150 0.000 0.271 61 G C -0.624 174.241 174.900 -0.059 0.000 1.189 61 G CA -0.853 44.227 45.100 -0.034 0.000 0.859 61 G HN 0.411 nan 8.290 nan 0.000 0.542 62 K N 0.529 120.892 120.400 -0.062 0.000 2.258 62 K HA 0.115 4.345 4.320 -0.150 0.000 0.264 62 K C 0.748 177.288 176.600 -0.100 0.000 1.007 62 K CA -0.328 55.904 56.287 -0.091 0.000 0.941 62 K CB 1.074 33.523 32.500 -0.084 0.000 0.966 62 K HN 0.546 nan 8.250 nan 0.000 0.480 63 M N 1.597 121.086 119.600 -0.186 0.000 2.290 63 M HA -0.095 4.295 4.480 -0.150 0.000 0.356 63 M C 0.740 176.956 176.300 -0.140 0.000 1.448 63 M CA 1.979 57.112 55.300 -0.278 0.000 0.993 63 M CB -0.231 32.005 32.600 -0.606 0.000 1.934 63 M HN 0.991 nan 8.290 nan 0.000 0.461 64 G N 3.148 111.923 108.800 -0.043 0.000 2.258 64 G HA2 -0.225 3.645 3.960 -0.150 0.000 0.233 64 G HA3 -0.225 3.645 3.960 -0.150 0.000 0.233 64 G C -0.118 174.790 174.900 0.015 0.000 1.006 64 G CA 0.174 45.275 45.100 0.000 0.000 0.620 64 G HN 0.778 nan 8.290 nan 0.000 0.511 65 D N 1.143 121.551 120.400 0.015 0.000 2.308 65 D HA 0.458 5.008 4.640 -0.150 0.000 0.251 65 D C 1.670 177.995 176.300 0.042 0.000 1.127 65 D CA 0.545 54.583 54.000 0.062 0.000 0.876 65 D CB 0.990 41.836 40.800 0.077 0.000 1.176 65 D HN 0.179 nan 8.370 nan 0.000 0.446 66 G N 3.503 112.319 108.800 0.027 0.000 2.448 66 G HA2 -0.204 3.666 3.960 -0.150 0.000 0.219 66 G HA3 -0.204 3.666 3.960 -0.150 0.000 0.219 66 G C 0.697 175.381 174.900 -0.362 0.000 1.127 66 G CA -0.104 44.840 45.100 -0.261 0.000 0.766 66 G HN 0.596 nan 8.290 nan 0.000 0.552 67 W N 2.316 123.551 121.300 -0.108 0.000 1.664 67 W HA 0.218 4.787 4.660 -0.151 0.000 0.428 67 W C 1.400 177.897 176.519 -0.036 0.000 0.726 67 W CA -0.451 56.855 57.345 -0.065 0.000 1.774 67 W CB -0.114 29.305 29.460 -0.070 0.000 1.801 67 W HN 0.544 nan 8.180 nan 0.000 0.243 68 Q N 0.744 120.572 119.800 0.047 0.000 2.245 68 Q HA -0.150 4.100 4.340 -0.150 0.000 0.201 68 Q C 0.027 176.092 176.000 0.109 0.000 0.955 68 Q CA 1.163 56.978 55.803 0.021 0.000 0.870 68 Q CB 0.105 28.779 28.738 -0.106 0.000 0.945 68 Q HN 0.353 nan 8.270 nan 0.000 0.461 69 Y N 1.467 121.801 120.300 0.058 0.000 2.354 69 Y HA 0.373 4.832 4.550 -0.151 0.000 0.330 69 Y C -1.317 174.702 175.900 0.198 0.000 1.011 69 Y CA -0.660 57.506 58.100 0.110 0.000 1.099 69 Y CB 2.076 40.610 38.460 0.124 0.000 1.179 69 Y HN 0.092 nan 8.280 nan 0.000 0.442 70 T N 1.945 116.410 114.554 -0.148 0.000 2.861 70 T HA 0.188 4.448 4.350 -0.150 0.000 0.287 70 T C 0.238 174.885 174.700 -0.089 0.000 1.003 70 T CA -0.560 61.560 62.100 0.034 0.000 0.977 70 T CB 1.173 70.090 68.868 0.082 0.000 0.996 70 T HN 0.753 nan 8.240 nan 0.000 0.448 71 Y N 2.935 123.267 120.300 0.053 0.000 2.207 71 Y HA -0.162 4.299 4.550 -0.148 0.000 0.287 71 Y C 2.738 178.733 175.900 0.158 0.000 1.156 71 Y CA 2.480 60.659 58.100 0.132 0.000 1.182 71 Y CB -0.219 38.287 38.460 0.077 0.000 0.979 71 Y HN 0.890 nan 8.280 nan 0.000 0.521 72 T N -1.527 113.098 114.554 0.118 0.000 3.118 72 T HA 0.252 4.513 4.350 -0.150 0.000 0.260 72 T C 0.887 175.517 174.700 -0.117 0.000 1.139 72 T CA 0.189 62.301 62.100 0.021 0.000 1.085 72 T CB -0.695 68.201 68.868 0.047 0.000 0.934 72 T HN 0.362 nan 8.240 nan 0.000 0.518 73 A N 1.981 124.705 122.820 -0.159 0.000 2.483 73 A HA 0.347 4.577 4.320 -0.150 0.000 0.238 73 A C 1.192 178.563 177.584 -0.356 0.000 1.070 73 A CA -0.469 51.431 52.037 -0.228 0.000 0.770 73 A CB 0.145 19.023 19.000 -0.204 0.000 1.008 73 A HN 0.369 nan 8.150 nan 0.000 0.497 74 N N 0.451 118.860 118.700 -0.485 0.000 2.415 74 N HA 0.046 4.696 4.740 -0.150 0.000 0.176 74 N C -0.188 174.945 175.510 -0.628 0.000 1.042 74 N CA 0.937 53.484 53.050 -0.839 0.000 0.902 74 N CB 0.190 37.756 38.487 -1.535 0.000 0.986 74 N HN 0.642 nan 8.380 nan 0.000 0.447 75 K N 0.341 120.553 120.400 -0.313 0.000 2.426 75 K HA 0.500 4.730 4.320 -0.150 0.000 0.251 75 K C -0.799 175.768 176.600 -0.055 0.000 0.941 75 K CA -0.543 55.659 56.287 -0.142 0.000 0.808 75 K CB 2.694 35.017 32.500 -0.296 0.000 1.265 75 K HN -0.167 nan 8.250 nan 0.000 0.432 76 I N 3.122 123.634 120.570 -0.098 0.000 2.377 76 I HA 0.270 4.350 4.170 -0.150 0.000 0.293 76 I C 1.312 177.309 176.117 -0.201 0.000 0.987 76 I CA -0.433 60.710 61.300 -0.262 0.000 1.185 76 I CB 1.224 38.931 38.000 -0.487 0.000 1.341 76 I HN 0.650 nan 8.210 nan 0.000 0.455 77 R N 4.284 124.661 120.500 -0.206 0.000 2.437 77 R HA 0.482 4.732 4.340 -0.150 0.000 0.257 77 R C 0.184 176.400 176.300 -0.140 0.000 0.927 77 R CA -0.106 55.908 56.100 -0.144 0.000 1.078 77 R CB 0.948 31.168 30.300 -0.133 0.000 1.161 77 R HN 0.725 nan 8.270 nan 0.000 0.529 78 G N 0.628 109.285 108.800 -0.238 0.000 2.368 78 G HA2 0.417 4.287 3.960 -0.150 0.000 0.293 78 G HA3 0.417 4.287 3.960 -0.150 0.000 0.293 78 G C -1.939 172.718 174.900 -0.405 0.000 1.467 78 G CA -0.901 44.104 45.100 -0.157 0.000 0.804 78 G HN 0.032 nan 8.290 nan 0.000 0.535 79 F N 0.954 120.966 119.950 0.104 0.000 2.402 79 F HA 0.632 5.070 4.527 -0.150 0.000 0.355 79 F C 0.500 176.440 175.800 0.233 0.000 1.123 79 F CA -0.705 57.423 58.000 0.214 0.000 1.021 79 F CB 2.418 41.681 39.000 0.438 0.000 1.160 79 F HN 0.356 nan 8.300 nan 0.000 0.451 80 K N 3.314 123.815 120.400 0.168 0.000 2.270 80 K HA 0.327 4.558 4.320 -0.150 0.000 0.255 80 K C -0.787 175.364 176.600 -0.749 0.000 0.936 80 K CA -0.705 55.434 56.287 -0.246 0.000 0.809 80 K CB 1.611 33.974 32.500 -0.229 0.000 1.131 80 K HN 0.733 nan 8.250 nan 0.000 0.427 81 Q N 2.509 121.398 119.800 -1.519 0.000 2.286 81 Q HA 0.128 4.378 4.340 -0.150 0.000 0.257 81 Q C -1.129 174.241 176.000 -1.051 0.000 0.941 81 Q CA 0.175 54.856 55.803 -1.870 0.000 0.912 81 Q CB 1.311 28.894 28.738 -1.925 0.000 1.192 81 Q HN 0.657 nan 8.270 nan 0.000 0.410 82 T N 2.117 116.128 114.554 -0.904 0.000 2.896 82 T HA 0.404 4.664 4.350 -0.150 0.000 0.297 82 T C -0.833 173.366 174.700 -0.835 0.000 1.108 82 T CA -0.457 61.238 62.100 -0.675 0.000 1.004 82 T CB 1.048 69.599 68.868 -0.530 0.000 1.159 82 T HN 0.807 nan 8.240 nan 0.000 0.499 83 H N 0.358 119.219 119.070 -0.349 0.000 3.078 83 H HA 0.359 4.824 4.556 -0.151 0.000 0.263 83 H C 0.527 175.807 175.328 -0.081 0.000 1.177 83 H CA -0.371 55.462 56.048 -0.359 0.000 1.128 83 H CB 0.630 29.909 29.762 -0.804 0.000 1.623 83 H HN 0.458 nan 8.280 nan 0.000 0.592 84 Q N 3.692 123.527 119.800 0.057 0.000 2.255 84 Q HA 0.017 4.267 4.340 -0.150 0.000 0.280 84 Q C -1.619 174.641 176.000 0.434 0.000 1.068 84 Q CA -1.377 54.526 55.803 0.166 0.000 0.911 84 Q CB 1.044 29.780 28.738 -0.003 0.000 1.157 84 Q HN 0.201 nan 8.270 nan 0.000 0.380 85 P HA 0.013 nan 4.420 nan 0.000 0.228 85 P C -0.535 176.773 177.300 0.013 0.000 1.166 85 P CA 0.533 63.687 63.100 0.089 0.000 0.812 85 P CB 0.519 32.331 31.700 0.186 0.000 0.857 86 S N -2.400 113.323 115.700 0.037 0.000 2.595 86 S HA 0.384 4.764 4.470 -0.150 0.000 0.270 86 S C -2.691 171.744 174.600 -0.275 0.000 1.145 86 S CA -1.077 57.080 58.200 -0.072 0.000 0.825 86 S CB 1.395 64.628 63.200 0.055 0.000 1.107 86 S HN -0.244 nan 8.310 nan 0.000 0.461 87 P HA 0.015 nan 4.420 nan 0.000 0.221 87 P C 0.730 177.519 177.300 -0.851 0.000 1.150 87 P CA 1.017 63.486 63.100 -1.051 0.000 0.800 87 P CB -0.231 30.166 31.700 -2.172 0.000 0.787 88 W N -0.076 121.077 121.300 -0.246 0.000 2.409 88 W HA -0.019 4.552 4.660 -0.148 0.000 0.299 88 W C 2.324 178.745 176.519 -0.162 0.000 1.203 88 W CA -0.038 57.230 57.345 -0.128 0.000 1.298 88 W CB -1.046 28.363 29.460 -0.085 0.000 1.127 88 W HN -0.196 nan 8.180 nan 0.000 0.528 89 I N -0.141 120.397 120.570 -0.053 0.000 2.500 89 I HA -0.126 3.955 4.170 -0.150 0.000 0.252 89 I C 1.297 177.365 176.117 -0.080 0.000 1.142 89 I CA 1.143 62.349 61.300 -0.157 0.000 1.451 89 I CB -1.439 36.370 38.000 -0.319 0.000 1.093 89 I HN 0.195 nan 8.210 nan 0.000 0.430 90 N N 0.852 119.497 118.700 -0.090 0.000 5.833 90 N HA -0.207 4.443 4.740 -0.150 0.000 0.357 90 N C -0.380 175.137 175.510 0.011 0.000 0.922 90 N CA 1.041 54.053 53.050 -0.063 0.000 1.099 90 N CB -0.478 37.988 38.487 -0.036 0.000 0.862 90 N HN 0.190 nan 8.380 nan 0.000 0.427 91 D N -0.946 119.475 120.400 0.034 0.000 2.450 91 D HA 0.763 5.314 4.640 -0.150 0.000 0.238 91 D C -0.920 175.480 176.300 0.167 0.000 1.020 91 D CA 0.042 54.067 54.000 0.042 0.000 1.010 91 D CB 1.079 41.855 40.800 -0.039 0.000 1.342 91 D HN 0.458 nan 8.370 nan 0.000 0.530 92 Y N -2.841 117.528 120.300 0.115 0.000 2.677 92 Y HA 0.475 4.934 4.550 -0.152 0.000 0.334 92 Y C 0.248 176.386 175.900 0.397 0.000 1.196 92 Y CA -0.969 57.228 58.100 0.163 0.000 1.059 92 Y CB 0.816 39.249 38.460 -0.045 0.000 1.315 92 Y HN 0.524 nan 8.280 nan 0.000 0.455 93 G N 2.010 111.248 108.800 0.730 0.000 2.350 93 G HA2 -0.141 3.730 3.960 -0.150 0.000 0.298 93 G HA3 -0.141 3.730 3.960 -0.150 0.000 0.298 93 G C -0.767 174.305 174.900 0.286 0.000 1.037 93 G CA 0.417 45.904 45.100 0.645 0.000 1.074 93 G HN 0.975 nan 8.290 nan 0.000 0.511 94 Q N -0.845 118.987 119.800 0.054 0.000 2.340 94 Q HA 0.842 5.092 4.340 -0.150 0.000 0.268 94 Q C -0.319 175.286 176.000 -0.659 0.000 1.031 94 Q CA -1.229 54.334 55.803 -0.400 0.000 0.804 94 Q CB 2.107 30.554 28.738 -0.485 0.000 1.286 94 Q HN 1.055 nan 8.270 nan 0.000 0.448 95 F N -1.017 118.402 119.950 -0.885 0.000 2.713 95 F HA 0.810 5.248 4.527 -0.149 0.000 0.311 95 F C -1.422 174.101 175.800 -0.462 0.000 1.141 95 F CA -0.743 56.800 58.000 -0.761 0.000 0.939 95 F CB 1.450 40.109 39.000 -0.568 0.000 1.325 95 F HN 0.715 nan 8.300 nan 0.000 0.453 96 S N 1.764 117.445 115.700 -0.030 0.000 2.618 96 S HA 0.845 5.225 4.470 -0.150 0.000 0.277 96 S C -1.714 172.996 174.600 0.182 0.000 1.138 96 S CA -0.747 57.473 58.200 0.034 0.000 0.844 96 S CB 2.033 65.338 63.200 0.175 0.000 1.127 96 S HN 1.192 nan 8.310 nan 0.000 0.474 97 I N 1.228 121.896 120.570 0.162 0.000 2.647 97 I HA 0.761 4.841 4.170 -0.150 0.000 0.295 97 I C -1.858 174.347 176.117 0.147 0.000 1.078 97 I CA -1.131 60.237 61.300 0.113 0.000 1.048 97 I CB 2.119 40.096 38.000 -0.037 0.000 1.239 97 I HN 0.902 nan 8.210 nan 0.000 0.421 98 M N 10.510 130.148 119.600 0.064 0.000 2.238 98 M HA 0.565 4.955 4.480 -0.150 0.000 0.278 98 M C -2.910 173.325 176.300 -0.109 0.000 1.040 98 M CA -1.863 53.478 55.300 0.069 0.000 0.969 98 M CB 2.311 34.940 32.600 0.048 0.000 1.694 98 M HN 0.131 nan 8.290 nan 0.000 0.472 99 P HA 0.616 nan 4.420 nan 0.000 0.282 99 P C -1.176 176.000 177.300 -0.207 0.000 1.249 99 P CA -0.294 62.611 63.100 -0.325 0.000 0.806 99 P CB 0.776 32.071 31.700 -0.675 0.000 0.984 100 I N -0.304 120.152 120.570 -0.191 0.000 3.181 100 I HA 0.775 4.856 4.170 -0.150 0.000 0.311 100 I C -0.934 175.104 176.117 -0.132 0.000 1.287 100 I CA -1.491 59.460 61.300 -0.582 0.000 0.958 100 I CB 2.222 39.905 38.000 -0.529 0.000 1.294 100 I HN 0.229 nan 8.210 nan 0.000 0.467 101 V N -0.184 119.644 119.914 -0.144 0.000 3.102 101 V HA 1.055 5.085 4.120 -0.150 0.000 0.312 101 V C 0.287 176.458 176.094 0.128 0.000 1.135 101 V CA 0.419 62.770 62.300 0.084 0.000 1.022 101 V CB 0.785 32.694 31.823 0.145 0.000 1.056 101 V HN 2.019 nan 8.190 nan 0.000 0.436 102 G N 1.425 110.331 108.800 0.175 0.000 3.035 102 G HA2 -0.116 3.755 3.960 -0.150 0.000 0.242 102 G HA3 -0.116 3.755 3.960 -0.150 0.000 0.242 102 G C -0.345 174.627 174.900 0.120 0.000 1.524 102 G CA 0.189 45.376 45.100 0.145 0.000 1.038 102 G HN 1.090 nan 8.290 nan 0.000 0.561 103 Q N 2.568 122.368 119.800 -0.001 0.000 2.235 103 Q HA 0.474 4.724 4.340 -0.150 0.000 0.250 103 Q C -2.234 173.559 176.000 -0.346 0.000 0.909 103 Q CA -1.614 54.102 55.803 -0.145 0.000 0.910 103 Q CB 1.531 30.200 28.738 -0.116 0.000 1.223 103 Q HN 0.500 nan 8.270 nan 0.000 0.432 104 P HA 0.071 nan 4.420 nan 0.000 0.275 104 P C -0.651 176.395 177.300 -0.423 0.000 1.276 104 P CA -0.090 62.411 63.100 -0.998 0.000 0.782 104 P CB 0.402 31.297 31.700 -1.342 0.000 0.851 105 V N 1.231 120.980 119.914 -0.275 0.000 2.735 105 V HA 0.450 4.481 4.120 -0.150 0.000 0.310 105 V C 0.209 176.282 176.094 -0.034 0.000 1.061 105 V CA -0.707 61.524 62.300 -0.115 0.000 0.913 105 V CB 1.801 33.575 31.823 -0.082 0.000 1.005 105 V HN 0.345 nan 8.190 nan 0.000 0.428 106 F N 1.778 121.649 119.950 -0.132 0.000 2.622 106 F HA 0.369 4.807 4.527 -0.149 0.000 0.288 106 F C 1.206 176.951 175.800 -0.091 0.000 1.120 106 F CA 0.155 58.086 58.000 -0.114 0.000 1.423 106 F CB 0.197 39.117 39.000 -0.134 0.000 1.127 106 F HN 0.825 nan 8.300 nan 0.000 0.588 107 D N 1.426 121.802 120.400 -0.039 0.000 2.583 107 D HA -0.131 4.419 4.640 -0.150 0.000 0.232 107 D C 1.420 177.610 176.300 -0.182 0.000 1.128 107 D CA 0.751 54.695 54.000 -0.094 0.000 0.859 107 D CB 0.612 41.393 40.800 -0.033 0.000 1.169 107 D HN 0.614 nan 8.370 nan 0.000 0.481 108 E N 2.528 122.606 120.200 -0.204 0.000 2.268 108 E HA -0.223 4.037 4.350 -0.150 0.000 0.195 108 E C 0.850 177.372 176.600 -0.130 0.000 0.995 108 E CA 1.011 57.291 56.400 -0.200 0.000 0.836 108 E CB -0.009 29.571 29.700 -0.200 0.000 0.763 108 E HN 0.662 nan 8.360 nan 0.000 0.491 109 E N 0.826 120.968 120.200 -0.097 0.000 2.102 109 E HA -0.046 4.214 4.350 -0.150 0.000 0.190 109 E C 1.892 178.460 176.600 -0.052 0.000 0.971 109 E CA 0.583 56.938 56.400 -0.074 0.000 0.821 109 E CB 0.085 29.748 29.700 -0.062 0.000 0.777 109 E HN 0.067 nan 8.360 nan 0.000 0.460 110 K N 1.174 121.548 120.400 -0.044 0.000 2.148 110 K HA -0.106 4.125 4.320 -0.150 0.000 0.204 110 K C 2.098 178.705 176.600 0.012 0.000 1.050 110 K CA 1.010 57.286 56.287 -0.017 0.000 0.942 110 K CB -0.010 32.477 32.500 -0.021 0.000 0.724 110 K HN 0.070 nan 8.250 nan 0.000 0.446 111 R N -0.166 120.328 120.500 -0.011 0.000 2.275 111 R HA 0.257 4.508 4.340 -0.150 0.000 0.199 111 R C 0.364 176.739 176.300 0.125 0.000 0.989 111 R CA 0.282 56.411 56.100 0.048 0.000 1.016 111 R CB -0.006 30.265 30.300 -0.049 0.000 0.918 111 R HN -0.036 nan 8.270 nan 0.000 0.473 112 A N 1.425 124.258 122.820 0.022 0.000 2.445 112 A HA 0.297 4.528 4.320 -0.150 0.000 0.242 112 A C -0.278 177.280 177.584 -0.043 0.000 1.075 112 A CA -0.039 51.986 52.037 -0.021 0.000 0.777 112 A CB 0.796 19.747 19.000 -0.080 0.000 1.013 112 A HN 0.333 nan 8.150 nan 0.000 0.493 113 S N 0.744 116.404 115.700 -0.066 0.000 2.557 113 S HA 0.485 4.865 4.470 -0.150 0.000 0.291 113 S C -0.819 173.809 174.600 0.046 0.000 1.116 113 S CA -0.544 57.602 58.200 -0.090 0.000 0.992 113 S CB 0.236 63.317 63.200 -0.197 0.000 1.028 113 S HN 0.575 nan 8.310 nan 0.000 0.484 114 W N 4.567 125.843 121.300 -0.041 0.000 2.253 114 W HA 0.311 4.882 4.660 -0.149 0.000 0.348 114 W C 0.238 176.836 176.519 0.133 0.000 1.267 114 W CA 0.671 58.025 57.345 0.016 0.000 1.298 114 W CB 0.316 29.750 29.460 -0.044 0.000 1.181 114 W HN 0.603 nan 8.180 nan 0.000 0.585 115 F N 0.574 120.635 119.950 0.185 0.000 2.779 115 F HA 0.860 5.297 4.527 -0.151 0.000 0.316 115 F C -1.231 174.623 175.800 0.091 0.000 1.164 115 F CA -1.924 56.148 58.000 0.120 0.000 0.924 115 F CB 0.563 39.590 39.000 0.045 0.000 1.348 115 F HN 0.416 nan 8.300 nan 0.000 0.467 116 A N 0.079 122.786 122.820 -0.189 0.000 2.498 116 A HA 0.548 4.778 4.320 -0.150 0.000 0.298 116 A C -0.049 177.395 177.584 -0.233 0.000 1.075 116 A CA -0.713 51.078 52.037 -0.409 0.000 0.714 116 A CB 0.614 19.561 19.000 -0.088 0.000 1.299 116 A HN 0.977 nan 8.150 nan 0.000 0.407 117 H N 0.948 119.941 119.070 -0.129 0.000 2.457 117 H HA -0.079 4.388 4.556 -0.149 0.000 0.297 117 H C 0.973 176.377 175.328 0.127 0.000 1.092 117 H CA 1.833 57.934 56.048 0.088 0.000 1.309 117 H CB 0.177 29.972 29.762 0.055 0.000 1.382 117 H HN 0.678 nan 8.280 nan 0.000 0.535 118 K N 0.220 120.722 120.400 0.169 0.000 2.439 118 K HA -0.003 4.227 4.320 -0.150 0.000 0.197 118 K C 1.694 178.361 176.600 0.112 0.000 1.041 118 K CA 0.634 56.997 56.287 0.127 0.000 0.970 118 K CB 0.319 32.870 32.500 0.086 0.000 0.773 118 K HN 0.177 nan 8.250 nan 0.000 0.479 119 G N 0.832 109.721 108.800 0.148 0.000 3.605 119 G HA2 -0.007 3.863 3.960 -0.150 0.000 0.277 119 G HA3 -0.007 3.863 3.960 -0.150 0.000 0.277 119 G C -0.550 174.462 174.900 0.187 0.000 1.093 119 G CA -0.218 44.985 45.100 0.170 0.000 0.821 119 G HN 0.125 nan 8.290 nan 0.000 0.532 120 E N 0.385 120.682 120.200 0.162 0.000 2.234 120 E HA 0.523 4.783 4.350 -0.150 0.000 0.266 120 E C -1.595 174.996 176.600 -0.016 0.000 0.877 120 E CA -0.521 55.923 56.400 0.072 0.000 0.758 120 E CB 2.660 32.534 29.700 0.290 0.000 1.170 120 E HN -0.104 nan 8.360 nan 0.000 0.415 121 V N 2.732 122.519 119.914 -0.212 0.000 2.407 121 V HA 0.648 4.679 4.120 -0.150 0.000 0.291 121 V C -0.538 175.385 176.094 -0.286 0.000 1.018 121 V CA -0.611 61.601 62.300 -0.147 0.000 0.842 121 V CB 1.279 33.077 31.823 -0.041 0.000 0.996 121 V HN 0.737 nan 8.190 nan 0.000 0.426 122 A N 3.809 126.560 122.820 -0.115 0.000 2.304 122 A HA 0.918 5.148 4.320 -0.150 0.000 0.314 122 A C 0.041 177.542 177.584 -0.139 0.000 1.187 122 A CA -0.280 51.730 52.037 -0.046 0.000 0.810 122 A CB 1.374 20.459 19.000 0.143 0.000 1.183 122 A HN 0.934 nan 8.150 nan 0.000 0.487 123 T N -0.421 113.983 114.554 -0.251 0.000 2.887 123 T HA 0.690 4.950 4.350 -0.150 0.000 0.292 123 T C -2.557 171.835 174.700 -0.514 0.000 1.087 123 T CA -1.774 60.042 62.100 -0.474 0.000 1.009 123 T CB 1.751 70.124 68.868 -0.825 0.000 1.203 123 T HN 0.118 nan 8.240 nan 0.000 0.518 124 P HA 0.014 nan 4.420 nan 0.000 0.222 124 P C 0.730 177.947 177.300 -0.137 0.000 1.147 124 P CA 0.897 63.651 63.100 -0.577 0.000 0.790 124 P CB -0.346 30.586 31.700 -1.279 0.000 0.780 125 Y N -4.245 116.047 120.300 -0.013 0.000 2.467 125 Y HA 0.471 4.931 4.550 -0.150 0.000 0.250 125 Y C 0.151 176.151 175.900 0.168 0.000 1.155 125 Y CA -1.113 57.078 58.100 0.152 0.000 1.249 125 Y CB -0.104 38.474 38.460 0.196 0.000 1.146 125 Y HN -0.172 nan 8.280 nan 0.000 0.524 126 Y N 0.535 120.635 120.300 -0.333 0.000 2.424 126 Y HA 0.466 4.926 4.550 -0.150 0.000 0.323 126 Y C -2.406 173.389 175.900 -0.175 0.000 1.174 126 Y CA -2.269 55.705 58.100 -0.210 0.000 1.060 126 Y CB 1.043 39.383 38.460 -0.199 0.000 1.314 126 Y HN 0.059 nan 8.280 nan 0.000 0.439 127 Y N 6.294 126.166 120.300 -0.714 0.000 2.442 127 Y HA 0.658 5.118 4.550 -0.150 0.000 0.344 127 Y C -1.494 173.957 175.900 -0.748 0.000 0.976 127 Y CA -0.858 56.907 58.100 -0.558 0.000 1.040 127 Y CB 1.572 39.874 38.460 -0.264 0.000 1.228 127 Y HN 0.703 nan 8.280 nan 0.000 0.451 128 K N 5.207 124.960 120.400 -1.078 0.000 2.464 128 K HA 0.797 5.027 4.320 -0.150 0.000 0.253 128 K C -2.459 173.769 176.600 -0.620 0.000 0.933 128 K CA -0.836 55.050 56.287 -0.669 0.000 0.801 128 K CB 2.354 34.609 32.500 -0.408 0.000 1.271 128 K HN 0.583 nan 8.250 nan 0.000 0.430 129 V N 3.871 123.678 119.914 -0.177 0.000 3.048 129 V HA 0.423 4.453 4.120 -0.150 0.000 0.303 129 V C -2.076 174.135 176.094 0.196 0.000 1.214 129 V CA -0.729 61.594 62.300 0.039 0.000 0.984 129 V CB 1.897 33.819 31.823 0.165 0.000 1.054 129 V HN 0.809 nan 8.190 nan 0.000 0.430 130 Y N 5.881 126.253 120.300 0.120 0.000 2.367 130 Y HA 0.645 5.105 4.550 -0.150 0.000 0.342 130 Y C -0.390 175.623 175.900 0.187 0.000 0.979 130 Y CA -0.693 57.486 58.100 0.133 0.000 1.161 130 Y CB 1.168 39.691 38.460 0.105 0.000 1.155 130 Y HN 0.579 nan 8.280 nan 0.000 0.503 131 L N 7.697 128.731 121.223 -0.314 0.000 2.282 131 L HA 0.375 4.625 4.340 -0.150 0.000 0.287 131 L C 1.218 177.776 176.870 -0.521 0.000 1.075 131 L CA -0.175 54.529 54.840 -0.227 0.000 0.839 131 L CB 0.865 42.917 42.059 -0.012 0.000 1.219 131 L HN 0.906 nan 8.230 nan 0.000 0.434 132 A N 2.594 125.232 122.820 -0.304 0.000 2.015 132 A HA -0.119 4.111 4.320 -0.150 0.000 0.219 132 A C 1.953 179.459 177.584 -0.130 0.000 1.163 132 A CA 1.228 53.151 52.037 -0.190 0.000 0.646 132 A CB -0.156 18.902 19.000 0.097 0.000 0.806 132 A HN 0.819 nan 8.150 nan 0.000 0.448 133 E N -1.295 118.798 120.200 -0.179 0.000 2.371 133 E HA -0.070 4.190 4.350 -0.150 0.000 0.194 133 E C 0.946 177.426 176.600 -0.199 0.000 1.012 133 E CA 0.638 56.917 56.400 -0.202 0.000 0.860 133 E CB -0.035 29.522 29.700 -0.239 0.000 0.811 133 E HN 0.718 nan 8.360 nan 0.000 0.502 134 H N -0.202 118.856 119.070 -0.021 0.000 2.705 134 H HA 0.052 4.518 4.556 -0.150 0.000 0.269 134 H C 0.090 175.418 175.328 -0.000 0.000 0.998 134 H CA 0.330 56.383 56.048 0.009 0.000 1.193 134 H CB 0.470 30.242 29.762 0.017 0.000 1.485 134 H HN 0.059 nan 8.280 nan 0.000 0.521 135 D N 0.712 121.105 120.400 -0.011 0.000 2.699 135 D HA -0.179 4.371 4.640 -0.150 0.000 0.239 135 D C -0.728 175.602 176.300 0.050 0.000 1.136 135 D CA 0.290 54.303 54.000 0.021 0.000 0.668 135 D CB -1.657 39.247 40.800 0.173 0.000 1.060 135 D HN 0.392 nan 8.370 nan 0.000 0.429 136 I N -0.199 120.312 120.570 -0.097 0.000 2.509 136 I HA 0.389 4.469 4.170 -0.150 0.000 0.293 136 I C 0.276 176.388 176.117 -0.008 0.000 1.020 136 I CA -1.235 60.038 61.300 -0.043 0.000 1.088 136 I CB 2.150 40.086 38.000 -0.106 0.000 1.267 136 I HN -0.210 nan 8.210 nan 0.000 0.430 137 V N 4.516 124.484 119.914 0.089 0.000 2.439 137 V HA 0.386 4.417 4.120 -0.150 0.000 0.282 137 V C 0.030 176.169 176.094 0.074 0.000 1.039 137 V CA -0.252 62.133 62.300 0.141 0.000 0.913 137 V CB 1.575 33.496 31.823 0.163 0.000 0.983 137 V HN 0.731 nan 8.190 nan 0.000 0.460 138 T N 5.301 119.894 114.554 0.064 0.000 2.779 138 T HA 0.526 4.786 4.350 -0.150 0.000 0.280 138 T C -0.493 174.104 174.700 -0.171 0.000 0.987 138 T CA -0.551 61.521 62.100 -0.048 0.000 0.966 138 T CB 1.077 69.825 68.868 -0.201 0.000 0.933 138 T HN 0.750 nan 8.240 nan 0.000 0.442 139 E N 3.037 123.072 120.200 -0.275 0.000 2.256 139 E HA 0.720 4.980 4.350 -0.150 0.000 0.267 139 E C -0.486 175.799 176.600 -0.526 0.000 0.892 139 E CA -0.959 55.215 56.400 -0.377 0.000 0.775 139 E CB 2.227 31.791 29.700 -0.227 0.000 1.207 139 E HN 0.634 nan 8.360 nan 0.000 0.420 140 M N -0.601 118.644 119.600 -0.593 0.000 2.421 140 M HA 0.573 4.963 4.480 -0.150 0.000 0.287 140 M C -1.305 174.728 176.300 -0.445 0.000 1.183 140 M CA -0.825 54.008 55.300 -0.779 0.000 0.916 140 M CB 2.237 34.051 32.600 -1.310 0.000 1.701 140 M HN 0.384 nan 8.290 nan 0.000 0.470 141 T N 0.410 114.744 114.554 -0.366 0.000 2.965 141 T HA 0.701 4.961 4.350 -0.150 0.000 0.306 141 T C -3.120 171.490 174.700 -0.150 0.000 0.991 141 T CA -1.320 60.709 62.100 -0.118 0.000 1.001 141 T CB 1.506 70.393 68.868 0.031 0.000 0.984 141 T HN 0.588 nan 8.240 nan 0.000 0.446 142 P HA 0.443 nan 4.420 nan 0.000 0.285 142 P C 0.088 177.434 177.300 0.078 0.000 1.269 142 P CA -0.284 62.806 63.100 -0.017 0.000 0.844 142 P CB 1.598 33.367 31.700 0.114 0.000 1.094 143 T N -2.608 111.999 114.554 0.088 0.000 2.855 143 T HA 0.292 4.552 4.350 -0.150 0.000 0.275 143 T C 1.247 176.040 174.700 0.154 0.000 1.022 143 T CA -0.405 61.760 62.100 0.108 0.000 0.977 143 T CB 0.237 69.153 68.868 0.080 0.000 1.559 143 T HN 0.317 nan 8.240 nan 0.000 0.600 144 E N 0.312 120.591 120.200 0.131 0.000 2.077 144 E HA -0.099 4.161 4.350 -0.150 0.000 0.193 144 E C 1.947 178.649 176.600 0.170 0.000 0.989 144 E CA 1.069 57.556 56.400 0.144 0.000 0.800 144 E CB -0.018 29.735 29.700 0.089 0.000 0.746 144 E HN 0.468 nan 8.360 nan 0.000 0.452 145 R N -1.300 119.294 120.500 0.156 0.000 2.531 145 R HA 0.347 4.597 4.340 -0.150 0.000 0.316 145 R C -0.071 176.367 176.300 0.230 0.000 0.955 145 R CA -0.042 56.164 56.100 0.177 0.000 1.120 145 R CB 1.571 31.935 30.300 0.107 0.000 1.361 145 R HN -0.056 nan 8.270 nan 0.000 0.534 146 A N 0.485 123.427 122.820 0.204 0.000 2.437 146 A HA 0.831 5.062 4.320 -0.150 0.000 0.292 146 A C -1.357 176.276 177.584 0.083 0.000 1.173 146 A CA -0.676 51.467 52.037 0.178 0.000 0.785 146 A CB 2.181 21.248 19.000 0.111 0.000 1.351 146 A HN -0.054 nan 8.150 nan 0.000 0.431 147 V N -0.197 119.678 119.914 -0.065 0.000 3.077 147 V HA 0.627 4.658 4.120 -0.150 0.000 0.299 147 V C -2.114 173.808 176.094 -0.286 0.000 1.276 147 V CA -0.536 61.571 62.300 -0.322 0.000 0.993 147 V CB 1.970 33.243 31.823 -0.916 0.000 1.076 147 V HN 1.268 nan 8.190 nan 0.000 0.434 148 L N 5.520 126.549 121.223 -0.323 0.000 2.296 148 L HA 0.740 4.990 4.340 -0.150 0.000 0.286 148 L C -1.294 175.309 176.870 -0.445 0.000 1.023 148 L CA 0.210 54.898 54.840 -0.253 0.000 0.812 148 L CB 1.290 43.257 42.059 -0.153 0.000 1.223 148 L HN 0.580 nan 8.230 nan 0.000 0.421 149 F N 4.213 123.916 119.950 -0.411 0.000 2.422 149 F HA 0.629 5.066 4.527 -0.150 0.000 0.333 149 F C 0.233 175.663 175.800 -0.617 0.000 1.095 149 F CA -0.359 57.270 58.000 -0.617 0.000 1.038 149 F CB 1.503 40.015 39.000 -0.815 0.000 1.156 149 F HN 0.421 nan 8.300 nan 0.000 0.483 150 R N 3.725 123.927 120.500 -0.497 0.000 2.483 150 R HA 0.487 4.737 4.340 -0.150 0.000 0.303 150 R C -2.026 174.010 176.300 -0.440 0.000 0.987 150 R CA -0.461 55.423 56.100 -0.361 0.000 0.881 150 R CB 0.696 30.904 30.300 -0.152 0.000 1.177 150 R HN 0.547 nan 8.270 nan 0.000 0.451 151 F N 2.213 122.188 119.950 0.041 0.000 2.415 151 F HA 0.335 4.772 4.527 -0.150 0.000 0.348 151 F C 0.395 176.127 175.800 -0.113 0.000 1.119 151 F CA -0.756 57.173 58.000 -0.118 0.000 1.069 151 F CB 2.319 41.190 39.000 -0.215 0.000 1.124 151 F HN 0.274 nan 8.300 nan 0.000 0.472 152 T N 4.609 119.170 114.554 0.012 0.000 2.801 152 T HA 0.391 4.651 4.350 -0.150 0.000 0.306 152 T C -0.482 174.219 174.700 0.002 0.000 1.020 152 T CA -0.363 61.774 62.100 0.062 0.000 0.948 152 T CB -0.123 68.796 68.868 0.084 0.000 0.962 152 T HN 0.166 nan 8.240 nan 0.000 0.465 153 F N 5.227 125.278 119.950 0.169 0.000 2.377 153 F HA 0.439 4.877 4.527 -0.149 0.000 0.328 153 F C -1.552 174.317 175.800 0.116 0.000 1.094 153 F CA -2.217 55.870 58.000 0.145 0.000 1.093 153 F CB 0.901 39.986 39.000 0.142 0.000 1.214 153 F HN 0.317 nan 8.300 nan 0.000 0.518 154 P HA 0.039 nan 4.420 nan 0.000 0.276 154 P C -1.009 176.393 177.300 0.171 0.000 1.261 154 P CA -0.558 62.669 63.100 0.212 0.000 0.800 154 P CB 0.617 32.432 31.700 0.191 0.000 1.066 155 E N 1.506 121.772 120.200 0.110 0.000 2.351 155 E HA 0.048 4.308 4.350 -0.150 0.000 0.266 155 E C -0.551 176.075 176.600 0.044 0.000 1.031 155 E CA 0.123 56.561 56.400 0.063 0.000 0.911 155 E CB -0.138 29.588 29.700 0.044 0.000 0.986 155 E HN 0.305 nan 8.360 nan 0.000 0.446 156 N N 3.680 122.379 118.700 -0.001 0.000 2.647 156 N HA 0.010 4.660 4.740 -0.150 0.000 0.259 156 N C -0.886 174.535 175.510 -0.148 0.000 1.098 156 N CA -0.469 52.554 53.050 -0.044 0.000 0.984 156 N CB 1.556 40.041 38.487 -0.003 0.000 1.683 156 N HN 0.431 nan 8.380 nan 0.000 0.501 157 D N -0.001 120.250 120.400 -0.248 0.000 2.312 157 D HA -0.020 4.530 4.640 -0.150 0.000 0.211 157 D C -0.259 175.615 176.300 -0.712 0.000 0.964 157 D CA 1.303 55.020 54.000 -0.472 0.000 0.877 157 D CB 0.175 40.616 40.800 -0.598 0.000 0.924 157 D HN 0.394 nan 8.370 nan 0.000 0.515 158 H N -0.003 118.936 119.070 -0.217 0.000 2.675 158 H HA 0.405 4.871 4.556 -0.150 0.000 0.258 158 H C -0.475 174.481 175.328 -0.620 0.000 1.271 158 H CA -0.273 55.504 56.048 -0.453 0.000 1.462 158 H CB 0.543 30.184 29.762 -0.202 0.000 1.467 158 H HN -0.217 nan 8.280 nan 0.000 0.501 159 S N 2.369 117.625 115.700 -0.739 0.000 2.501 159 S HA 0.637 5.018 4.470 -0.150 0.000 0.301 159 S C -0.754 173.147 174.600 -1.166 0.000 1.096 159 S CA -0.512 57.257 58.200 -0.717 0.000 1.063 159 S CB 1.181 63.947 63.200 -0.723 0.000 1.042 159 S HN 0.375 nan 8.310 nan 0.000 0.494 160 Y N -0.185 119.859 120.300 -0.427 0.000 2.609 160 Y HA 0.643 5.104 4.550 -0.150 0.000 0.342 160 Y C -0.565 175.154 175.900 -0.302 0.000 1.058 160 Y CA -1.150 56.648 58.100 -0.504 0.000 1.055 160 Y CB 1.340 39.559 38.460 -0.403 0.000 1.292 160 Y HN 0.304 nan 8.280 nan 0.000 0.476 161 V N 2.364 122.183 119.914 -0.158 0.000 2.531 161 V HA 0.452 4.482 4.120 -0.150 0.000 0.301 161 V C -0.818 175.250 176.094 -0.043 0.000 1.034 161 V CA -0.910 61.333 62.300 -0.096 0.000 0.865 161 V CB 1.623 33.448 31.823 0.003 0.000 0.995 161 V HN 0.543 nan 8.190 nan 0.000 0.424 162 V N 5.582 125.487 119.914 -0.015 0.000 2.439 162 V HA 0.451 4.481 4.120 -0.150 0.000 0.282 162 V C -0.065 176.106 176.094 0.128 0.000 1.039 162 V CA -0.446 61.888 62.300 0.056 0.000 0.913 162 V CB 1.759 33.585 31.823 0.005 0.000 0.983 162 V HN 0.613 nan 8.190 nan 0.000 0.460 163 V N 3.961 124.003 119.914 0.214 0.000 2.384 163 V HA 0.454 4.485 4.120 -0.150 0.000 0.287 163 V C -0.549 175.778 176.094 0.388 0.000 1.020 163 V CA -0.470 61.993 62.300 0.270 0.000 0.850 163 V CB 1.836 33.822 31.823 0.271 0.000 0.987 163 V HN 0.901 nan 8.190 nan 0.000 0.436 164 D N 3.838 124.475 120.400 0.394 0.000 2.471 164 D HA 0.552 5.102 4.640 -0.150 0.000 0.245 164 D C 0.452 177.108 176.300 0.593 0.000 1.116 164 D CA -0.374 53.955 54.000 0.548 0.000 0.853 164 D CB 2.203 43.210 40.800 0.345 0.000 1.123 164 D HN 0.550 nan 8.370 nan 0.000 0.540 165 A N 3.766 126.942 122.820 0.594 0.000 2.275 165 A HA 0.335 4.565 4.320 -0.150 0.000 0.212 165 A C 0.277 178.220 177.584 0.599 0.000 1.201 165 A CA -0.056 52.294 52.037 0.522 0.000 0.843 165 A CB -0.523 18.754 19.000 0.462 0.000 0.873 165 A HN 0.539 nan 8.150 nan 0.000 0.492 166 F N -0.722 119.387 119.950 0.264 0.000 2.183 166 F HA -0.168 4.269 4.527 -0.150 0.000 0.318 166 F C 0.445 176.102 175.800 -0.238 0.000 0.966 166 F CA 0.402 58.368 58.000 -0.056 0.000 0.912 166 F CB -0.868 38.156 39.000 0.039 0.000 4.135 166 F HN 0.567 nan 8.300 nan 0.000 0.137 167 D N 0.567 120.800 120.400 -0.277 0.000 2.560 167 D HA 0.408 4.958 4.640 -0.150 0.000 0.277 167 D C 0.053 176.390 176.300 0.061 0.000 1.194 167 D CA 0.223 54.124 54.000 -0.164 0.000 1.092 167 D CB 0.478 41.128 40.800 -0.250 0.000 1.169 167 D HN 0.517 nan 8.370 nan 0.000 0.607 168 K N -1.313 119.131 120.400 0.073 0.000 3.281 168 K HA -0.047 4.183 4.320 -0.150 0.000 0.295 168 K C 0.349 177.035 176.600 0.142 0.000 1.233 168 K CA 0.991 57.342 56.287 0.106 0.000 0.866 168 K CB -2.303 30.266 32.500 0.115 0.000 1.265 168 K HN 1.345 nan 8.250 nan 0.000 0.482 169 G N 0.162 109.056 108.800 0.155 0.000 3.380 169 G HA2 0.063 3.933 3.960 -0.150 0.000 0.685 169 G HA3 0.063 3.933 3.960 -0.150 0.000 0.685 169 G C -0.274 174.768 174.900 0.236 0.000 1.136 169 G CA 0.048 45.259 45.100 0.184 0.000 1.011 169 G HN 0.919 nan 8.290 nan 0.000 0.471 170 S N 1.123 116.940 115.700 0.195 0.000 2.688 170 S HA 0.893 5.273 4.470 -0.150 0.000 0.275 170 S C -1.043 173.508 174.600 -0.080 0.000 1.175 170 S CA -0.821 57.455 58.200 0.128 0.000 0.818 170 S CB 2.679 66.003 63.200 0.207 0.000 1.157 170 S HN 2.101 nan 8.310 nan 0.000 0.482 171 Y N -0.145 119.840 120.300 -0.526 0.000 2.534 171 Y HA 0.829 5.289 4.550 -0.150 0.000 0.345 171 Y C -1.893 173.796 175.900 -0.351 0.000 1.031 171 Y CA -1.024 56.716 58.100 -0.601 0.000 1.022 171 Y CB 1.508 39.205 38.460 -1.272 0.000 1.292 171 Y HN 0.991 nan 8.280 nan 0.000 0.459 172 I N 4.809 124.814 120.570 -0.942 0.000 2.752 172 I HA 0.536 4.616 4.170 -0.150 0.000 0.295 172 I C -1.954 173.656 176.117 -0.846 0.000 1.219 172 I CA -0.492 60.391 61.300 -0.694 0.000 1.030 172 I CB 2.153 40.001 38.000 -0.253 0.000 1.259 172 I HN 0.670 nan 8.210 nan 0.000 0.423 173 K N 7.428 127.491 120.400 -0.562 0.000 2.553 173 K HA 0.615 4.845 4.320 -0.150 0.000 0.250 173 K C -1.929 174.583 176.600 -0.147 0.000 0.953 173 K CA -0.500 55.578 56.287 -0.347 0.000 0.800 173 K CB 1.342 33.653 32.500 -0.314 0.000 1.243 173 K HN 0.583 nan 8.250 nan 0.000 0.435 174 I N 5.611 126.131 120.570 -0.083 0.000 2.365 174 I HA 0.313 4.393 4.170 -0.150 0.000 0.291 174 I C -0.131 176.029 176.117 0.073 0.000 1.004 174 I CA -0.755 60.559 61.300 0.024 0.000 1.311 174 I CB 1.121 39.115 38.000 -0.010 0.000 1.401 174 I HN 0.501 nan 8.210 nan 0.000 0.491 175 I N 8.116 128.782 120.570 0.160 0.000 2.555 175 I HA 0.234 4.314 4.170 -0.150 0.000 0.275 175 I C -1.803 174.400 176.117 0.144 0.000 1.082 175 I CA -1.507 59.860 61.300 0.112 0.000 1.167 175 I CB 1.058 39.094 38.000 0.060 0.000 1.312 175 I HN 0.347 nan 8.210 nan 0.000 0.493 176 P HA -0.218 nan 4.420 nan 0.000 0.216 176 P C 1.256 178.493 177.300 -0.104 0.000 1.150 176 P CA 1.261 64.381 63.100 0.033 0.000 0.837 176 P CB 0.090 31.839 31.700 0.081 0.000 0.786 177 E N 0.461 120.636 120.200 -0.041 0.000 2.516 177 E HA -0.141 4.119 4.350 -0.150 0.000 0.199 177 E C 0.620 177.190 176.600 -0.050 0.000 1.069 177 E CA 0.918 57.288 56.400 -0.050 0.000 0.876 177 E CB -0.536 29.149 29.700 -0.024 0.000 0.843 177 E HN 0.376 nan 8.360 nan 0.000 0.530 178 E N 0.391 120.563 120.200 -0.047 0.000 2.714 178 E HA 0.113 4.373 4.350 -0.150 0.000 0.219 178 E C -0.597 175.986 176.600 -0.029 0.000 0.979 178 E CA -0.380 56.007 56.400 -0.020 0.000 1.092 178 E CB 0.262 29.973 29.700 0.019 0.000 1.049 178 E HN 0.050 nan 8.360 nan 0.000 0.487 179 N N 2.370 120.958 118.700 -0.188 0.000 2.714 179 N HA -0.215 4.435 4.740 -0.150 0.000 0.252 179 N C -0.766 174.882 175.510 0.231 0.000 1.014 179 N CA 1.236 54.069 53.050 -0.361 0.000 0.735 179 N CB -0.864 37.527 38.487 -0.160 0.000 0.924 179 N HN 0.281 nan 8.380 nan 0.000 0.540 180 K N 0.285 120.919 120.400 0.390 0.000 2.464 180 K HA 0.633 4.864 4.320 -0.150 0.000 0.253 180 K C -1.053 175.823 176.600 0.460 0.000 0.933 180 K CA -0.656 55.897 56.287 0.443 0.000 0.801 180 K CB 1.520 34.145 32.500 0.207 0.000 1.271 180 K HN 0.088 nan 8.250 nan 0.000 0.430 181 I N 5.780 126.593 120.570 0.405 0.000 2.498 181 I HA 0.429 4.509 4.170 -0.150 0.000 0.290 181 I C -0.118 176.105 176.117 0.176 0.000 1.032 181 I CA -1.045 60.410 61.300 0.260 0.000 1.073 181 I CB 1.778 39.964 38.000 0.310 0.000 1.251 181 I HN 0.601 nan 8.210 nan 0.000 0.426 182 I N 1.970 122.544 120.570 0.006 0.000 2.957 182 I HA 1.071 5.151 4.170 -0.150 0.000 0.310 182 I C -0.151 175.760 176.117 -0.343 0.000 1.063 182 I CA -0.470 60.752 61.300 -0.130 0.000 1.033 182 I CB 2.378 40.197 38.000 -0.303 0.000 1.230 182 I HN 0.644 nan 8.210 nan 0.000 0.447 183 G N 1.908 110.293 108.800 -0.691 0.000 2.441 183 G HA2 0.514 4.385 3.960 -0.150 0.000 0.294 183 G HA3 0.514 4.385 3.960 -0.150 0.000 0.294 183 G C -2.171 172.231 174.900 -0.830 0.000 1.393 183 G CA -0.565 44.073 45.100 -0.770 0.000 0.796 183 G HN 1.037 nan 8.290 nan 0.000 0.494 184 Y N -1.646 118.475 120.300 -0.299 0.000 2.553 184 Y HA 0.870 5.330 4.550 -0.150 0.000 0.347 184 Y C -0.313 175.607 175.900 0.032 0.000 1.019 184 Y CA -1.294 56.621 58.100 -0.308 0.000 1.032 184 Y CB 1.837 39.977 38.460 -0.533 0.000 1.284 184 Y HN 0.736 nan 8.280 nan 0.000 0.466 185 T N 0.310 115.056 114.554 0.319 0.000 2.887 185 T HA 0.502 4.762 4.350 -0.150 0.000 0.288 185 T C 0.344 175.197 174.700 0.255 0.000 1.021 185 T CA 0.148 62.449 62.100 0.335 0.000 1.000 185 T CB 1.233 70.302 68.868 0.336 0.000 1.034 185 T HN 1.116 nan 8.240 nan 0.000 0.467 186 T N 1.017 115.762 114.554 0.319 0.000 2.975 186 T HA 0.300 4.561 4.350 -0.150 0.000 0.261 186 T C 0.807 175.777 174.700 0.449 0.000 0.984 186 T CA -0.396 61.934 62.100 0.383 0.000 0.911 186 T CB -0.101 68.941 68.868 0.290 0.000 1.127 186 T HN 0.619 nan 8.240 nan 0.000 0.514 187 R N 3.255 123.963 120.500 0.347 0.000 2.504 187 R HA 0.103 4.353 4.340 -0.150 0.000 0.291 187 R C -0.165 176.301 176.300 0.277 0.000 0.974 187 R CA 0.657 56.924 56.100 0.279 0.000 1.077 187 R CB 0.089 30.561 30.300 0.286 0.000 0.926 187 R HN 0.730 nan 8.270 nan 0.000 0.407 188 N N 1.258 120.059 118.700 0.168 0.000 2.902 188 N HA 0.143 4.793 4.740 -0.150 0.000 0.268 188 N C -1.083 174.454 175.510 0.045 0.000 1.450 188 N CA -0.912 52.190 53.050 0.086 0.000 0.819 188 N CB 1.678 40.069 38.487 -0.159 0.000 1.540 188 N HN 0.345 nan 8.380 nan 0.000 0.545 189 S N -1.158 114.547 115.700 0.009 0.000 2.664 189 S HA 0.512 4.892 4.470 -0.150 0.000 0.245 189 S C 0.537 175.108 174.600 -0.049 0.000 1.019 189 S CA 0.076 58.275 58.200 -0.002 0.000 0.996 189 S CB -0.218 62.992 63.200 0.016 0.000 0.878 189 S HN 1.122 nan 8.310 nan 0.000 0.493 190 G N 0.492 109.237 108.800 -0.093 0.000 2.525 190 G HA2 0.362 4.232 3.960 -0.150 0.000 0.685 190 G HA3 0.362 4.232 3.960 -0.150 0.000 0.685 190 G C 0.365 175.151 174.900 -0.191 0.000 1.290 190 G CA -0.393 44.641 45.100 -0.111 0.000 0.915 190 G HN 1.204 nan 8.290 nan 0.000 0.548 191 G N -2.374 106.325 108.800 -0.168 0.000 2.221 191 G HA2 0.275 4.145 3.960 -0.150 0.000 0.265 191 G HA3 0.275 4.145 3.960 -0.150 0.000 0.265 191 G C 0.871 175.563 174.900 -0.346 0.000 1.041 191 G CA 1.570 46.536 45.100 -0.225 0.000 0.807 191 G HN 2.455 nan 8.290 nan 0.000 0.502 192 V N -3.626 116.115 119.914 -0.289 0.000 2.914 192 V HA 0.952 4.982 4.120 -0.150 0.000 0.314 192 V C -1.990 174.053 176.094 -0.086 0.000 1.084 192 V CA -2.617 59.509 62.300 -0.291 0.000 0.963 192 V CB 1.905 33.428 31.823 -0.501 0.000 1.025 192 V HN 0.075 nan 8.190 nan 0.000 0.432 193 P HA 0.385 nan 4.420 nan 0.000 0.274 193 P C 0.557 177.946 177.300 0.149 0.000 1.246 193 P CA -0.311 62.841 63.100 0.087 0.000 0.795 193 P CB 0.626 32.391 31.700 0.108 0.000 1.006 194 E N 0.678 120.947 120.200 0.115 0.000 2.209 194 E HA -0.196 4.064 4.350 -0.150 0.000 0.196 194 E C 0.958 177.635 176.600 0.128 0.000 0.993 194 E CA 1.119 57.583 56.400 0.108 0.000 0.819 194 E CB -0.281 29.464 29.700 0.075 0.000 0.745 194 E HN 0.487 nan 8.360 nan 0.000 0.477 195 N N 0.509 119.305 118.700 0.160 0.000 2.314 195 N HA -0.089 4.562 4.740 -0.150 0.000 0.200 195 N C -0.101 175.472 175.510 0.105 0.000 1.135 195 N CA -0.243 52.877 53.050 0.117 0.000 0.835 195 N CB -0.511 38.052 38.487 0.126 0.000 0.989 195 N HN 0.004 nan 8.380 nan 0.000 0.478 196 F N 2.462 122.447 119.950 0.058 0.000 2.602 196 F HA 0.163 4.601 4.527 -0.148 0.000 0.385 196 F C 0.002 175.701 175.800 -0.167 0.000 1.063 196 F CA 0.244 58.243 58.000 -0.002 0.000 1.233 196 F CB 0.383 39.425 39.000 0.070 0.000 1.067 196 F HN -0.044 nan 8.300 nan 0.000 0.564 197 K N 5.238 124.895 120.400 -1.238 0.000 2.542 197 K HA 0.177 4.408 4.320 -0.150 0.000 0.259 197 K C -1.474 174.356 176.600 -1.285 0.000 0.932 197 K CA -1.055 54.475 56.287 -1.262 0.000 0.820 197 K CB 1.913 33.563 32.500 -1.416 0.000 1.345 197 K HN 0.638 nan 8.250 nan 0.000 0.432 198 N N 2.664 120.829 118.700 -0.891 0.000 2.446 198 N HA 0.228 4.878 4.740 -0.150 0.000 0.265 198 N C -1.359 173.858 175.510 -0.488 0.000 0.975 198 N CA -0.348 52.333 53.050 -0.615 0.000 0.928 198 N CB 0.660 38.976 38.487 -0.286 0.000 1.160 198 N HN 0.416 nan 8.380 nan 0.000 0.495 199 Y N 3.858 123.913 120.300 -0.409 0.000 2.327 199 Y HA 0.322 4.782 4.550 -0.150 0.000 0.336 199 Y C 0.094 175.890 175.900 -0.174 0.000 1.035 199 Y CA -0.646 57.166 58.100 -0.480 0.000 1.165 199 Y CB 0.476 38.414 38.460 -0.870 0.000 1.181 199 Y HN 0.320 nan 8.280 nan 0.000 0.494 200 F N 1.284 121.274 119.950 0.068 0.000 2.588 200 F HA 0.904 5.341 4.527 -0.150 0.000 0.314 200 F C -1.444 174.458 175.800 0.170 0.000 1.069 200 F CA -1.988 56.022 58.000 0.016 0.000 0.931 200 F CB 1.266 39.977 39.000 -0.481 0.000 1.260 200 F HN 0.214 nan 8.300 nan 0.000 0.465 201 I N 3.230 124.038 120.570 0.397 0.000 2.619 201 I HA 0.488 4.568 4.170 -0.150 0.000 0.292 201 I C -1.146 175.147 176.117 0.292 0.000 1.100 201 I CA -0.744 60.730 61.300 0.290 0.000 1.043 201 I CB 2.440 40.572 38.000 0.219 0.000 1.239 201 I HN 0.584 nan 8.210 nan 0.000 0.420 202 I N 5.168 125.886 120.570 0.246 0.000 2.478 202 I HA 0.361 4.441 4.170 -0.150 0.000 0.287 202 I C -0.752 175.409 176.117 0.073 0.000 1.042 202 I CA -0.480 60.900 61.300 0.132 0.000 1.067 202 I CB 1.976 40.067 38.000 0.151 0.000 1.233 202 I HN 0.514 nan 8.210 nan 0.000 0.431 203 E N 5.759 125.938 120.200 -0.034 0.000 2.165 203 E HA 0.500 4.760 4.350 -0.150 0.000 0.266 203 E C -1.360 175.206 176.600 -0.057 0.000 0.889 203 E CA -0.583 55.846 56.400 0.047 0.000 0.756 203 E CB 2.019 31.757 29.700 0.065 0.000 1.131 203 E HN 0.275 nan 8.360 nan 0.000 0.411 204 F N 1.633 121.723 119.950 0.234 0.000 2.399 204 F HA 0.142 4.579 4.527 -0.149 0.000 0.328 204 F C 1.347 177.222 175.800 0.125 0.000 1.084 204 F CA -0.761 57.386 58.000 0.246 0.000 1.053 204 F CB 0.909 40.161 39.000 0.419 0.000 1.209 204 F HN 0.432 nan 8.300 nan 0.000 0.502 205 D N 0.306 120.873 120.400 0.279 0.000 2.395 205 D HA 0.058 4.608 4.640 -0.150 0.000 0.226 205 D C -0.196 176.152 176.300 0.079 0.000 1.146 205 D CA -0.003 54.078 54.000 0.135 0.000 0.830 205 D CB 0.005 40.857 40.800 0.087 0.000 0.958 205 D HN 0.421 nan 8.370 nan 0.000 0.501 206 K N 0.531 120.993 120.400 0.105 0.000 2.501 206 K HA 0.434 4.664 4.320 -0.150 0.000 0.252 206 K C -3.092 173.492 176.600 -0.027 0.000 0.934 206 K CA -2.031 54.223 56.287 -0.056 0.000 0.797 206 K CB 2.250 34.560 32.500 -0.316 0.000 1.270 206 K HN -0.252 nan 8.250 nan 0.000 0.431 207 P HA 0.083 nan 4.420 nan 0.000 0.268 207 P C -0.962 176.407 177.300 0.115 0.000 1.205 207 P CA -0.129 62.895 63.100 -0.126 0.000 0.771 207 P CB 0.200 31.856 31.700 -0.074 0.000 0.858 208 F N 0.640 120.654 119.950 0.107 0.000 2.445 208 F HA 0.183 4.621 4.527 -0.150 0.000 0.359 208 F C 1.826 177.673 175.800 0.077 0.000 1.101 208 F CA -0.087 57.970 58.000 0.096 0.000 1.177 208 F CB -0.431 38.574 39.000 0.007 0.000 1.110 208 F HN 0.207 nan 8.300 nan 0.000 0.522 209 T N 2.289 117.017 114.554 0.289 0.000 3.044 209 T HA 0.016 4.276 4.350 -0.150 0.000 0.250 209 T C -0.769 174.051 174.700 0.200 0.000 1.081 209 T CA 0.596 62.807 62.100 0.186 0.000 1.040 209 T CB -0.316 68.641 68.868 0.149 0.000 0.962 209 T HN 0.462 nan 8.240 nan 0.000 0.506 210 Y N 2.187 122.513 120.300 0.044 0.000 2.492 210 Y HA 0.554 5.014 4.550 -0.150 0.000 0.346 210 Y C -1.493 174.384 175.900 -0.039 0.000 0.997 210 Y CA -1.478 56.633 58.100 0.018 0.000 1.025 210 Y CB 1.179 39.674 38.460 0.058 0.000 1.263 210 Y HN -0.030 nan 8.280 nan 0.000 0.454 211 K N 4.115 124.130 120.400 -0.641 0.000 2.557 211 K HA 0.948 5.178 4.320 -0.150 0.000 0.257 211 K C -2.203 174.037 176.600 -0.599 0.000 0.933 211 K CA -1.014 54.992 56.287 -0.468 0.000 0.820 211 K CB 2.019 34.393 32.500 -0.209 0.000 1.330 211 K HN 0.903 nan 8.250 nan 0.000 0.432 212 A N 1.201 123.795 122.820 -0.377 0.000 2.566 212 A HA 0.648 4.879 4.320 -0.150 0.000 0.297 212 A C -0.795 176.672 177.584 -0.196 0.000 1.059 212 A CA -0.667 51.198 52.037 -0.285 0.000 0.691 212 A CB 1.583 20.433 19.000 -0.250 0.000 1.282 212 A HN 0.834 nan 8.150 nan 0.000 0.401 213 T N -0.970 113.470 114.554 -0.190 0.000 2.944 213 T HA 0.773 5.033 4.350 -0.150 0.000 0.284 213 T C -0.216 174.338 174.700 -0.243 0.000 1.010 213 T CA -0.683 61.297 62.100 -0.199 0.000 1.025 213 T CB 1.405 70.162 68.868 -0.184 0.000 1.079 213 T HN 1.012 nan 8.240 nan 0.000 0.516 214 V N 1.346 121.058 119.914 -0.336 0.000 2.680 214 V HA 0.706 4.737 4.120 -0.150 0.000 0.309 214 V C -0.407 175.461 176.094 -0.376 0.000 1.052 214 V CA -0.781 61.245 62.300 -0.457 0.000 0.908 214 V CB 1.651 32.915 31.823 -0.932 0.000 1.001 214 V HN 1.056 nan 8.190 nan 0.000 0.431 215 E N 3.540 123.565 120.200 -0.292 0.000 2.302 215 E HA 0.275 4.535 4.350 -0.150 0.000 0.263 215 E C -0.366 176.146 176.600 -0.147 0.000 0.897 215 E CA -0.565 55.725 56.400 -0.182 0.000 0.809 215 E CB 1.082 30.709 29.700 -0.121 0.000 1.270 215 E HN 0.807 nan 8.360 nan 0.000 0.410 216 N N 3.461 122.094 118.700 -0.112 0.000 2.714 216 N HA -0.299 4.351 4.740 -0.150 0.000 0.252 216 N C 0.790 176.253 175.510 -0.078 0.000 1.014 216 N CA 0.910 53.927 53.050 -0.054 0.000 0.735 216 N CB -0.919 37.562 38.487 -0.011 0.000 0.924 216 N HN 0.912 nan 8.380 nan 0.000 0.540 217 G N -1.414 107.295 108.800 -0.152 0.000 2.253 217 G HA2 -0.335 3.535 3.960 -0.150 0.000 0.251 217 G HA3 -0.335 3.535 3.960 -0.150 0.000 0.251 217 G C -0.075 174.755 174.900 -0.117 0.000 0.998 217 G CA 0.195 45.236 45.100 -0.097 0.000 0.621 217 G HN 0.475 nan 8.290 nan 0.000 0.524 218 N N 0.651 119.268 118.700 -0.138 0.000 2.444 218 N HA 0.482 5.133 4.740 -0.150 0.000 0.271 218 N C -0.387 175.030 175.510 -0.155 0.000 1.069 218 N CA -0.378 52.601 53.050 -0.118 0.000 0.965 218 N CB 1.717 40.151 38.487 -0.089 0.000 1.092 218 N HN 0.197 nan 8.380 nan 0.000 0.476 219 L N 2.673 123.822 121.223 -0.123 0.000 2.313 219 L HA 0.153 4.403 4.340 -0.150 0.000 0.282 219 L C 0.033 176.837 176.870 -0.109 0.000 1.092 219 L CA 0.218 54.984 54.840 -0.123 0.000 0.831 219 L CB 0.162 42.174 42.059 -0.079 0.000 1.159 219 L HN 0.379 nan 8.230 nan 0.000 0.442 220 Q N 4.781 124.502 119.800 -0.132 0.000 2.508 220 Q HA 0.234 4.484 4.340 -0.150 0.000 0.247 220 Q C -0.575 175.336 176.000 -0.149 0.000 1.047 220 Q CA -0.376 55.354 55.803 -0.121 0.000 0.783 220 Q CB 1.331 29.999 28.738 -0.117 0.000 1.172 220 Q HN 0.561 nan 8.270 nan 0.000 0.515 221 E N 2.625 122.733 120.200 -0.153 0.000 2.415 221 E HA -0.084 4.176 4.350 -0.150 0.000 0.263 221 E C -0.051 176.432 176.600 -0.195 0.000 0.995 221 E CA 0.232 56.491 56.400 -0.235 0.000 0.915 221 E CB 0.315 29.883 29.700 -0.220 0.000 0.951 221 E HN 0.461 nan 8.360 nan 0.000 0.449 222 N N 1.455 120.019 118.700 -0.227 0.000 2.800 222 N HA -0.174 4.476 4.740 -0.150 0.000 0.250 222 N C -1.159 174.283 175.510 -0.112 0.000 1.078 222 N CA 0.816 53.775 53.050 -0.153 0.000 0.804 222 N CB -1.251 37.164 38.487 -0.121 0.000 1.135 222 N HN 0.167 nan 8.380 nan 0.000 0.565 223 V N 0.771 120.612 119.914 -0.121 0.000 2.364 223 V HA 0.506 4.537 4.120 -0.150 0.000 0.272 223 V C 1.574 177.606 176.094 -0.103 0.000 1.036 223 V CA 0.255 62.497 62.300 -0.097 0.000 0.880 223 V CB 1.400 33.166 31.823 -0.095 0.000 0.991 223 V HN 0.337 nan 8.190 nan 0.000 0.460 224 A N 4.203 126.975 122.820 -0.080 0.000 2.014 224 A HA 0.064 4.294 4.320 -0.150 0.000 0.218 224 A C 0.882 178.400 177.584 -0.111 0.000 1.163 224 A CA 0.900 52.890 52.037 -0.079 0.000 0.652 224 A CB 0.052 19.023 19.000 -0.048 0.000 0.808 224 A HN 0.782 nan 8.150 nan 0.000 0.449 225 E N -0.593 119.540 120.200 -0.112 0.000 2.331 225 E HA 0.422 4.682 4.350 -0.150 0.000 0.275 225 E C -1.643 174.880 176.600 -0.129 0.000 0.895 225 E CA -0.659 55.654 56.400 -0.145 0.000 0.753 225 E CB 1.067 30.734 29.700 -0.054 0.000 1.216 225 E HN 0.248 nan 8.360 nan 0.000 0.434 226 Q N 1.583 121.273 119.800 -0.183 0.000 2.315 226 Q HA 0.391 4.642 4.340 -0.150 0.000 0.273 226 Q C -1.372 174.609 176.000 -0.031 0.000 1.053 226 Q CA -0.694 55.049 55.803 -0.100 0.000 0.817 226 Q CB 2.452 31.115 28.738 -0.125 0.000 1.326 226 Q HN 0.485 nan 8.270 nan 0.000 0.423 227 T N 1.651 116.245 114.554 0.067 0.000 2.934 227 T HA 0.581 4.841 4.350 -0.150 0.000 0.328 227 T C -0.394 174.354 174.700 0.080 0.000 1.068 227 T CA -0.265 61.914 62.100 0.132 0.000 1.018 227 T CB 1.177 70.154 68.868 0.182 0.000 1.009 227 T HN 0.575 nan 8.240 nan 0.000 0.471 228 T N 0.689 115.286 114.554 0.072 0.000 2.665 228 T HA 0.236 4.496 4.350 -0.150 0.000 0.303 228 T C 0.116 174.876 174.700 0.100 0.000 1.334 228 T CA -0.543 61.597 62.100 0.068 0.000 1.011 228 T CB 1.420 70.306 68.868 0.030 0.000 1.573 228 T HN 0.337 nan 8.240 nan 0.000 0.492 229 D N 0.107 120.568 120.400 0.102 0.000 2.092 229 D HA -0.086 4.464 4.640 -0.150 0.000 0.193 229 D C 0.541 176.954 176.300 0.188 0.000 0.994 229 D CA 1.610 55.687 54.000 0.128 0.000 0.828 229 D CB -0.019 40.847 40.800 0.110 0.000 0.963 229 D HN 0.566 nan 8.370 nan 0.000 0.450 230 H N -0.453 118.656 119.070 0.064 0.000 2.854 230 H HA 0.506 4.972 4.556 -0.149 0.000 0.275 230 H C -1.042 174.305 175.328 0.033 0.000 1.198 230 H CA -0.702 55.401 56.048 0.091 0.000 1.489 230 H CB 0.677 30.498 29.762 0.099 0.000 1.519 230 H HN -0.018 nan 8.280 nan 0.000 0.503 231 A N 3.301 126.271 122.820 0.250 0.000 2.302 231 A HA 0.749 4.979 4.320 -0.150 0.000 0.285 231 A C 0.290 177.906 177.584 0.052 0.000 1.105 231 A CA 0.239 52.304 52.037 0.047 0.000 0.816 231 A CB 0.979 19.982 19.000 0.006 0.000 1.067 231 A HN 0.787 nan 8.150 nan 0.000 0.489 232 G N -1.553 107.142 108.800 -0.175 0.000 2.608 232 G HA2 0.784 4.654 3.960 -0.150 0.000 0.291 232 G HA3 0.784 4.654 3.960 -0.150 0.000 0.291 232 G C -1.082 173.722 174.900 -0.159 0.000 1.425 232 G CA 0.154 45.165 45.100 -0.148 0.000 0.787 232 G HN 1.921 nan 8.290 nan 0.000 0.484 233 A N -0.537 122.287 122.820 0.005 0.000 2.594 233 A HA 0.822 5.052 4.320 -0.150 0.000 0.295 233 A C -1.449 176.152 177.584 0.029 0.000 1.071 233 A CA -0.538 51.476 52.037 -0.040 0.000 0.685 233 A CB 1.278 20.256 19.000 -0.037 0.000 1.285 233 A HN 0.907 nan 8.150 nan 0.000 0.405 234 I N 2.200 122.753 120.570 -0.030 0.000 2.478 234 I HA 0.453 4.534 4.170 -0.150 0.000 0.287 234 I C -0.959 175.129 176.117 -0.048 0.000 1.042 234 I CA -0.627 60.668 61.300 -0.009 0.000 1.067 234 I CB 1.804 39.814 38.000 0.016 0.000 1.233 234 I HN 0.690 nan 8.210 nan 0.000 0.431 235 I N 2.923 123.361 120.570 -0.221 0.000 2.797 235 I HA 1.068 5.148 4.170 -0.150 0.000 0.307 235 I C 0.094 175.987 176.117 -0.373 0.000 1.033 235 I CA -0.350 60.709 61.300 -0.402 0.000 1.071 235 I CB 1.965 39.239 38.000 -1.210 0.000 1.255 235 I HN 0.545 nan 8.210 nan 0.000 0.445 236 G N 2.101 110.672 108.800 -0.382 0.000 2.649 236 G HA2 0.853 4.723 3.960 -0.150 0.000 0.290 236 G HA3 0.853 4.723 3.960 -0.150 0.000 0.290 236 G C -1.484 172.959 174.900 -0.762 0.000 1.426 236 G CA -0.773 43.804 45.100 -0.873 0.000 0.794 236 G HN 1.011 nan 8.290 nan 0.000 0.483 237 F N -2.277 117.483 119.950 -0.316 0.000 2.944 237 F HA 0.633 5.070 4.527 -0.150 0.000 0.324 237 F C -0.696 174.903 175.800 -0.335 0.000 1.151 237 F CA -1.506 56.358 58.000 -0.227 0.000 0.883 237 F CB 1.706 40.611 39.000 -0.159 0.000 1.341 237 F HN 0.590 nan 8.300 nan 0.000 0.456 238 K N 1.309 121.743 120.400 0.056 0.000 2.143 238 K HA 0.666 4.897 4.320 -0.150 0.000 0.272 238 K C -1.058 175.505 176.600 -0.061 0.000 1.001 238 K CA 0.027 56.270 56.287 -0.074 0.000 0.915 238 K CB 1.590 34.036 32.500 -0.090 0.000 1.047 238 K HN 0.880 nan 8.250 nan 0.000 0.458 239 T N 1.116 115.617 114.554 -0.088 0.000 2.893 239 T HA 0.457 4.717 4.350 -0.150 0.000 0.293 239 T C -0.200 174.490 174.700 -0.016 0.000 1.027 239 T CA -1.141 60.919 62.100 -0.066 0.000 0.988 239 T CB 1.373 70.203 68.868 -0.064 0.000 1.043 239 T HN 0.770 nan 8.240 nan 0.000 0.461 240 R N 1.394 121.896 120.500 0.003 0.000 2.549 240 R HA 0.493 4.743 4.340 -0.150 0.000 0.259 240 R C -0.098 176.241 176.300 0.064 0.000 1.095 240 R CA -1.123 54.991 56.100 0.023 0.000 1.148 240 R CB 0.799 31.106 30.300 0.011 0.000 1.181 240 R HN 0.732 nan 8.270 nan 0.000 0.571 241 K N 0.026 120.462 120.400 0.061 0.000 2.447 241 K HA 0.058 4.288 4.320 -0.150 0.000 0.281 241 K C 0.419 177.073 176.600 0.089 0.000 1.031 241 K CA 1.186 57.522 56.287 0.082 0.000 1.019 241 K CB 0.029 32.567 32.500 0.063 0.000 0.918 241 K HN 0.867 nan 8.250 nan 0.000 0.476 242 G N 2.802 111.673 108.800 0.119 0.000 2.148 242 G HA2 -0.324 3.546 3.960 -0.150 0.000 0.254 242 G HA3 -0.324 3.546 3.960 -0.150 0.000 0.254 242 G C -0.086 174.885 174.900 0.119 0.000 0.981 242 G CA 0.538 45.705 45.100 0.111 0.000 0.670 242 G HN 0.756 nan 8.290 nan 0.000 0.528 243 E N 0.618 120.905 120.200 0.144 0.000 2.344 243 E HA 0.385 4.645 4.350 -0.150 0.000 0.270 243 E C 0.429 177.151 176.600 0.204 0.000 1.021 243 E CA -0.230 56.249 56.400 0.132 0.000 0.887 243 E CB 0.250 30.002 29.700 0.086 0.000 0.997 243 E HN 0.527 nan 8.360 nan 0.000 0.429 244 Q N 2.470 122.359 119.800 0.147 0.000 2.271 244 Q HA 0.419 4.670 4.340 -0.150 0.000 0.258 244 Q C -1.052 175.056 176.000 0.182 0.000 0.936 244 Q CA -0.840 55.066 55.803 0.171 0.000 0.909 244 Q CB 2.289 31.086 28.738 0.099 0.000 1.253 244 Q HN 0.319 nan 8.270 nan 0.000 0.440 245 V N 3.046 123.143 119.914 0.305 0.000 2.487 245 V HA 0.329 4.359 4.120 -0.150 0.000 0.298 245 V C -0.412 175.875 176.094 0.321 0.000 1.028 245 V CA -0.928 61.570 62.300 0.330 0.000 0.860 245 V CB 1.764 33.892 31.823 0.509 0.000 0.991 245 V HN 0.748 nan 8.190 nan 0.000 0.427 246 N N 2.914 121.745 118.700 0.218 0.000 2.399 246 N HA 0.740 5.390 4.740 -0.150 0.000 0.295 246 N C -0.524 175.057 175.510 0.118 0.000 1.048 246 N CA -0.262 52.847 53.050 0.099 0.000 0.886 246 N CB 2.454 40.966 38.487 0.042 0.000 1.185 246 N HN 0.806 nan 8.380 nan 0.000 0.487 247 A N 2.519 125.336 122.820 -0.005 0.000 2.332 247 A HA 0.481 4.711 4.320 -0.150 0.000 0.300 247 A C -0.268 177.257 177.584 -0.098 0.000 1.153 247 A CA -0.713 51.226 52.037 -0.164 0.000 0.764 247 A CB 0.850 19.689 19.000 -0.269 0.000 1.174 247 A HN 0.587 nan 8.150 nan 0.000 0.467 248 R N 1.789 122.234 120.500 -0.091 0.000 2.254 248 R HA 0.654 4.904 4.340 -0.150 0.000 0.318 248 R C -0.889 175.418 176.300 0.011 0.000 1.031 248 R CA 0.081 56.165 56.100 -0.028 0.000 0.905 248 R CB 1.017 31.316 30.300 -0.001 0.000 1.050 248 R HN 0.677 nan 8.270 nan 0.000 0.456 249 I N 1.590 122.193 120.570 0.054 0.000 2.647 249 I HA 0.666 4.746 4.170 -0.150 0.000 0.295 249 I C -0.556 175.695 176.117 0.222 0.000 1.078 249 I CA -0.911 60.490 61.300 0.169 0.000 1.048 249 I CB 2.260 40.393 38.000 0.222 0.000 1.239 249 I HN 0.657 nan 8.210 nan 0.000 0.421 250 A N 3.549 126.550 122.820 0.301 0.000 2.587 250 A HA 0.902 5.132 4.320 -0.150 0.000 0.293 250 A C -0.817 176.976 177.584 0.349 0.000 1.087 250 A CA -0.429 51.788 52.037 0.300 0.000 0.692 250 A CB 2.145 21.261 19.000 0.192 0.000 1.291 250 A HN 0.763 nan 8.150 nan 0.000 0.407 251 S N -0.220 115.653 115.700 0.287 0.000 2.720 251 S HA 0.926 5.306 4.470 -0.150 0.000 0.287 251 S C -0.530 174.071 174.600 0.000 0.000 1.168 251 S CA 0.075 58.391 58.200 0.193 0.000 0.832 251 S CB 1.546 64.906 63.200 0.267 0.000 1.166 251 S HN 2.295 nan 8.310 nan 0.000 0.493 252 S N -0.749 114.856 115.700 -0.158 0.000 2.547 252 S HA 0.625 5.005 4.470 -0.150 0.000 0.270 252 S C -1.350 173.023 174.600 -0.379 0.000 1.150 252 S CA -0.719 57.351 58.200 -0.216 0.000 0.850 252 S CB 0.696 63.847 63.200 -0.082 0.000 1.118 252 S HN 0.639 nan 8.310 nan 0.000 0.461 253 F N 2.321 122.205 119.950 -0.110 0.000 2.693 253 F HA 0.469 4.907 4.527 -0.149 0.000 0.303 253 F C 1.256 176.935 175.800 -0.200 0.000 1.097 253 F CA -0.015 57.841 58.000 -0.240 0.000 1.330 253 F CB 0.177 38.994 39.000 -0.305 0.000 1.067 253 F HN 0.431 nan 8.300 nan 0.000 0.565 254 I N -1.613 118.961 120.570 0.007 0.000 3.136 254 I HA 0.098 4.179 4.170 -0.150 0.000 0.262 254 I C 0.623 176.489 176.117 -0.418 0.000 1.132 254 I CA 0.383 61.642 61.300 -0.069 0.000 1.450 254 I CB 0.366 38.358 38.000 -0.015 0.000 1.315 254 I HN 0.063 nan 8.210 nan 0.000 0.460 255 S N -1.699 113.601 115.700 -0.667 0.000 2.656 255 S HA 0.242 4.622 4.470 -0.150 0.000 0.265 255 S C -0.037 174.104 174.600 -0.765 0.000 1.110 255 S CA -0.722 56.781 58.200 -1.161 0.000 0.821 255 S CB 0.239 63.099 63.200 -0.568 0.000 1.099 255 S HN 0.002 nan 8.310 nan 0.000 0.471 256 F N 1.519 121.158 119.950 -0.519 0.000 2.134 256 F HA 0.107 4.544 4.527 -0.149 0.000 0.299 256 F C 3.177 178.908 175.800 -0.114 0.000 1.097 256 F CA 2.237 60.130 58.000 -0.179 0.000 1.264 256 F CB -1.096 37.851 39.000 -0.088 0.000 1.001 256 F HN 0.938 nan 8.300 nan 0.000 0.479 257 E N -0.044 120.184 120.200 0.047 0.000 2.085 257 E HA -0.285 3.975 4.350 -0.150 0.000 0.194 257 E C 1.957 178.561 176.600 0.006 0.000 0.994 257 E CA 1.603 58.018 56.400 0.025 0.000 0.801 257 E CB -1.064 28.634 29.700 -0.004 0.000 0.743 257 E HN 0.428 nan 8.360 nan 0.000 0.453 258 Q N -0.347 119.427 119.800 -0.043 0.000 2.172 258 Q HA 0.168 4.419 4.340 -0.150 0.000 0.200 258 Q C 2.220 178.225 176.000 0.007 0.000 0.964 258 Q CA 1.782 57.570 55.803 -0.024 0.000 0.855 258 Q CB -0.404 28.303 28.738 -0.052 0.000 0.918 258 Q HN 0.547 nan 8.270 nan 0.000 0.444 259 A N 0.254 123.082 122.820 0.013 0.000 1.902 259 A HA -0.032 4.198 4.320 -0.150 0.000 0.217 259 A C 2.289 179.933 177.584 0.100 0.000 1.181 259 A CA 1.736 53.818 52.037 0.074 0.000 0.623 259 A CB -1.166 17.913 19.000 0.130 0.000 0.818 259 A HN 0.499 nan 8.150 nan 0.000 0.443 260 A N -0.077 122.802 122.820 0.098 0.000 1.908 260 A HA 0.124 4.354 4.320 -0.150 0.000 0.218 260 A C 2.495 180.119 177.584 0.067 0.000 1.181 260 A CA 2.187 54.276 52.037 0.087 0.000 0.627 260 A CB -1.011 18.034 19.000 0.074 0.000 0.818 260 A HN 1.084 nan 8.150 nan 0.000 0.445 261 A N 0.117 122.969 122.820 0.054 0.000 1.930 261 A HA -0.172 4.058 4.320 -0.150 0.000 0.217 261 A C 1.855 179.472 177.584 0.056 0.000 1.175 261 A CA 1.731 53.797 52.037 0.048 0.000 0.627 261 A CB -0.596 18.427 19.000 0.039 0.000 0.815 261 A HN 0.543 nan 8.150 nan 0.000 0.443 262 N N -0.737 118.000 118.700 0.062 0.000 2.223 262 N HA -0.154 4.496 4.740 -0.150 0.000 0.185 262 N C 1.499 177.057 175.510 0.080 0.000 1.016 262 N CA 1.632 54.724 53.050 0.071 0.000 0.863 262 N CB -0.492 38.040 38.487 0.076 0.000 0.983 262 N HN 0.498 nan 8.380 nan 0.000 0.429 263 M N 1.367 121.018 119.600 0.086 0.000 2.143 263 M HA -0.148 4.242 4.480 -0.150 0.000 0.258 263 M C 0.960 177.298 176.300 0.062 0.000 1.071 263 M CA 1.578 56.927 55.300 0.082 0.000 1.088 263 M CB -0.578 32.072 32.600 0.083 0.000 1.360 263 M HN 0.157 nan 8.290 nan 0.000 0.404 264 N N -0.440 118.294 118.700 0.056 0.000 2.520 264 N HA -0.139 4.511 4.740 -0.150 0.000 0.185 264 N C 1.179 176.717 175.510 0.046 0.000 1.068 264 N CA 0.930 54.008 53.050 0.047 0.000 0.911 264 N CB -0.141 38.372 38.487 0.044 0.000 0.961 264 N HN 0.564 nan 8.380 nan 0.000 0.446 265 E N 0.760 120.992 120.200 0.053 0.000 2.171 265 E HA -0.172 4.088 4.350 -0.150 0.000 0.197 265 E C 1.452 178.077 176.600 0.042 0.000 0.997 265 E CA 0.762 57.193 56.400 0.052 0.000 0.810 265 E CB -0.077 29.661 29.700 0.063 0.000 0.738 265 E HN 0.480 nan 8.360 nan 0.000 0.467 266 L N -0.022 121.224 121.223 0.038 0.000 2.376 266 L HA 0.011 4.261 4.340 -0.150 0.000 0.219 266 L C 1.652 178.534 176.870 0.020 0.000 1.133 266 L CA 0.285 55.138 54.840 0.023 0.000 0.816 266 L CB -1.037 41.032 42.059 0.016 0.000 0.933 266 L HN 0.225 nan 8.230 nan 0.000 0.449 267 G N 0.953 109.768 108.800 0.025 0.000 2.652 267 G HA2 -0.367 3.503 3.960 -0.150 0.000 0.318 267 G HA3 -0.367 3.503 3.960 -0.150 0.000 0.318 267 G C 0.695 175.605 174.900 0.017 0.000 1.295 267 G CA 0.428 45.540 45.100 0.021 0.000 0.999 267 G HN 0.249 nan 8.290 nan 0.000 0.548 268 K N 1.630 122.037 120.400 0.012 0.000 2.514 268 K HA 0.212 4.442 4.320 -0.150 0.000 0.207 268 K C -0.025 176.578 176.600 0.004 0.000 1.035 268 K CA -0.131 56.161 56.287 0.009 0.000 1.113 268 K CB 0.253 32.759 32.500 0.009 0.000 0.846 268 K HN 0.473 nan 8.250 nan 0.000 0.491 269 D N 2.263 122.665 120.400 0.003 0.000 2.382 269 D HA -0.015 4.536 4.640 -0.150 0.000 0.240 269 D C 0.572 176.868 176.300 -0.007 0.000 1.146 269 D CA 0.185 54.184 54.000 -0.002 0.000 0.897 269 D CB 0.655 41.454 40.800 -0.002 0.000 1.197 269 D HN 0.201 nan 8.370 nan 0.000 0.432 270 N N 0.491 119.185 118.700 -0.009 0.000 2.448 270 N HA 0.123 4.773 4.740 -0.150 0.000 0.274 270 N C 1.108 176.610 175.510 -0.014 0.000 1.239 270 N CA -0.586 52.456 53.050 -0.012 0.000 0.982 270 N CB 0.692 39.174 38.487 -0.009 0.000 1.199 270 N HN 0.141 nan 8.380 nan 0.000 0.576 271 I N -0.248 120.314 120.570 -0.013 0.000 2.151 271 I HA -0.234 3.847 4.170 -0.150 0.000 0.243 271 I C 1.681 177.805 176.117 0.011 0.000 1.080 271 I CA 1.714 63.018 61.300 0.007 0.000 1.339 271 I CB -1.102 36.918 38.000 0.033 0.000 1.039 271 I HN 0.587 nan 8.210 nan 0.000 0.409 272 E N 0.599 120.789 120.200 -0.017 0.000 2.077 272 E HA -0.218 4.042 4.350 -0.150 0.000 0.193 272 E C 2.238 178.812 176.600 -0.045 0.000 0.989 272 E CA 1.128 57.498 56.400 -0.051 0.000 0.800 272 E CB -0.257 29.411 29.700 -0.054 0.000 0.746 272 E HN 0.539 nan 8.360 nan 0.000 0.452 273 Q N -0.220 119.563 119.800 -0.029 0.000 2.083 273 Q HA -0.032 4.218 4.340 -0.150 0.000 0.198 273 Q C 2.240 178.230 176.000 -0.016 0.000 0.969 273 Q CA 0.893 56.681 55.803 -0.026 0.000 0.838 273 Q CB -0.080 28.647 28.738 -0.018 0.000 0.900 273 Q HN 0.271 nan 8.270 nan 0.000 0.436 274 L N 0.153 121.376 121.223 -0.000 0.000 2.093 274 L HA -0.133 4.117 4.340 -0.150 0.000 0.208 274 L C 2.469 179.369 176.870 0.049 0.000 1.085 274 L CA 0.768 55.619 54.840 0.019 0.000 0.755 274 L CB -0.509 41.557 42.059 0.013 0.000 0.904 274 L HN 0.220 nan 8.230 nan 0.000 0.435 275 A N -0.345 122.513 122.820 0.064 0.000 1.902 275 A HA -0.284 3.946 4.320 -0.150 0.000 0.217 275 A C 2.208 179.758 177.584 -0.057 0.000 1.181 275 A CA 1.873 53.993 52.037 0.138 0.000 0.623 275 A CB -0.485 18.577 19.000 0.104 0.000 0.818 275 A HN 0.387 nan 8.150 nan 0.000 0.443 276 Q N 0.144 119.883 119.800 -0.101 0.000 2.084 276 Q HA -0.123 4.127 4.340 -0.150 0.000 0.202 276 Q C 1.911 177.829 176.000 -0.136 0.000 0.978 276 Q CA 2.156 57.860 55.803 -0.165 0.000 0.844 276 Q CB -0.283 28.386 28.738 -0.115 0.000 0.898 276 Q HN 0.673 nan 8.270 nan 0.000 0.426 277 K N -1.039 119.324 120.400 -0.062 0.000 2.097 277 K HA -0.068 4.163 4.320 -0.150 0.000 0.206 277 K C 1.985 178.580 176.600 -0.009 0.000 1.049 277 K CA 1.113 57.383 56.287 -0.028 0.000 0.933 277 K CB -0.404 32.096 32.500 0.000 0.000 0.717 277 K HN 0.395 nan 8.250 nan 0.000 0.442 278 G N 1.711 110.530 108.800 0.032 0.000 2.408 278 G HA2 -0.269 3.601 3.960 -0.150 0.000 0.217 278 G HA3 -0.269 3.601 3.960 -0.150 0.000 0.217 278 G C 1.423 176.394 174.900 0.118 0.000 1.150 278 G CA 0.631 45.821 45.100 0.150 0.000 0.776 278 G HN 0.224 nan 8.290 nan 0.000 0.542 279 K N 0.352 120.573 120.400 -0.299 0.000 2.026 279 K HA -0.129 4.101 4.320 -0.150 0.000 0.208 279 K C 1.993 178.522 176.600 -0.119 0.000 1.048 279 K CA 1.632 57.601 56.287 -0.530 0.000 0.929 279 K CB -0.148 31.753 32.500 -0.998 0.000 0.713 279 K HN 0.098 nan 8.250 nan 0.000 0.439 280 D N 0.499 120.838 120.400 -0.102 0.000 2.123 280 D HA -0.161 4.389 4.640 -0.150 0.000 0.196 280 D C 1.799 178.116 176.300 0.029 0.000 0.992 280 D CA 1.491 55.477 54.000 -0.023 0.000 0.833 280 D CB -0.316 40.465 40.800 -0.031 0.000 0.954 280 D HN 0.384 nan 8.370 nan 0.000 0.455 281 A N -0.142 122.683 122.820 0.008 0.000 1.933 281 A HA -0.153 4.077 4.320 -0.150 0.000 0.218 281 A C 2.162 179.701 177.584 -0.075 0.000 1.175 281 A CA 1.139 53.147 52.037 -0.049 0.000 0.628 281 A CB -1.094 17.837 19.000 -0.115 0.000 0.814 281 A HN 0.301 nan 8.150 nan 0.000 0.444 282 W N -0.037 121.297 121.300 0.056 0.000 2.409 282 W HA -0.032 4.536 4.660 -0.153 0.000 0.299 282 W C 2.190 178.781 176.519 0.120 0.000 1.203 282 W CA 1.208 58.603 57.345 0.083 0.000 1.298 282 W CB -0.320 29.210 29.460 0.117 0.000 1.127 282 W HN 0.418 nan 8.180 nan 0.000 0.528 283 N N -0.022 118.883 118.700 0.341 0.000 2.223 283 N HA -0.266 4.385 4.740 -0.150 0.000 0.185 283 N C 1.642 177.331 175.510 0.298 0.000 1.016 283 N CA 1.310 54.583 53.050 0.370 0.000 0.863 283 N CB -0.240 38.420 38.487 0.287 0.000 0.983 283 N HN 0.105 nan 8.380 nan 0.000 0.429 284 Q N 1.174 121.088 119.800 0.189 0.000 2.084 284 Q HA -0.124 4.126 4.340 -0.150 0.000 0.202 284 Q C 1.860 177.959 176.000 0.166 0.000 0.978 284 Q CA 1.719 57.610 55.803 0.146 0.000 0.844 284 Q CB -0.070 28.726 28.738 0.097 0.000 0.898 284 Q HN 0.374 nan 8.270 nan 0.000 0.426 285 V N -2.148 117.871 119.914 0.174 0.000 2.500 285 V HA -0.006 4.025 4.120 -0.150 0.000 0.243 285 V C 2.258 178.525 176.094 0.290 0.000 1.039 285 V CA 1.101 63.556 62.300 0.259 0.000 1.053 285 V CB -0.830 31.025 31.823 0.054 0.000 0.695 285 V HN 0.312 nan 8.190 nan 0.000 0.463 286 L N 1.731 123.106 121.223 0.254 0.000 2.046 286 L HA 0.013 4.264 4.340 -0.150 0.000 0.208 286 L C 2.725 179.496 176.870 -0.164 0.000 1.077 286 L CA 1.776 56.740 54.840 0.206 0.000 0.747 286 L CB -1.206 41.041 42.059 0.312 0.000 0.896 286 L HN 0.510 nan 8.230 nan 0.000 0.432 287 G N -0.526 108.054 108.800 -0.365 0.000 2.625 287 G HA2 -0.155 3.715 3.960 -0.150 0.000 0.214 287 G HA3 -0.155 3.715 3.960 -0.150 0.000 0.214 287 G C 1.545 176.230 174.900 -0.358 0.000 1.132 287 G CA 0.106 44.616 45.100 -0.983 0.000 0.782 287 G HN 0.128 nan 8.290 nan 0.000 0.538 288 K N 0.010 120.352 120.400 -0.097 0.000 2.283 288 K HA 0.110 4.340 4.320 -0.150 0.000 0.202 288 K C 0.647 177.189 176.600 -0.097 0.000 1.048 288 K CA 0.370 56.646 56.287 -0.018 0.000 0.948 288 K CB 0.143 32.623 32.500 -0.034 0.000 0.742 288 K HN 0.372 nan 8.250 nan 0.000 0.458 289 I N 1.736 122.236 120.570 -0.116 0.000 2.411 289 I HA 0.164 4.244 4.170 -0.150 0.000 0.284 289 I C -0.640 175.386 176.117 -0.152 0.000 1.012 289 I CA -0.458 60.773 61.300 -0.114 0.000 1.119 289 I CB 1.764 39.792 38.000 0.047 0.000 1.261 289 I HN -0.151 nan 8.210 nan 0.000 0.448 290 E N 6.327 126.416 120.200 -0.184 0.000 2.133 290 E HA 0.480 4.741 4.350 -0.150 0.000 0.274 290 E C -0.812 175.675 176.600 -0.189 0.000 0.930 290 E CA -0.723 55.619 56.400 -0.096 0.000 0.770 290 E CB 2.641 32.372 29.700 0.051 0.000 1.104 290 E HN 0.451 nan 8.360 nan 0.000 0.403 291 V N 0.157 119.893 119.914 -0.297 0.000 2.628 291 V HA 0.639 4.670 4.120 -0.150 0.000 0.306 291 V C -0.425 175.422 176.094 -0.412 0.000 1.045 291 V CA -0.651 61.272 62.300 -0.627 0.000 0.905 291 V CB 1.787 32.634 31.823 -1.625 0.000 0.997 291 V HN 0.644 nan 8.190 nan 0.000 0.436 292 E N 1.869 121.945 120.200 -0.206 0.000 2.429 292 E HA 0.690 4.950 4.350 -0.150 0.000 0.276 292 E C 0.294 177.025 176.600 0.217 0.000 0.953 292 E CA -0.694 55.734 56.400 0.046 0.000 0.787 292 E CB 1.940 31.662 29.700 0.037 0.000 1.307 292 E HN 1.602 nan 8.360 nan 0.000 0.458 293 G N 0.426 109.392 108.800 0.276 0.000 2.225 293 G HA2 -0.154 3.717 3.960 -0.150 0.000 0.264 293 G HA3 -0.154 3.717 3.960 -0.150 0.000 0.264 293 G C 0.155 175.195 174.900 0.234 0.000 1.060 293 G CA 0.126 45.354 45.100 0.214 0.000 0.833 293 G HN 0.707 nan 8.290 nan 0.000 0.498 294 G N -0.559 108.389 108.800 0.247 0.000 3.108 294 G HA2 0.771 4.641 3.960 -0.150 0.000 0.268 294 G HA3 0.771 4.641 3.960 -0.150 0.000 0.268 294 G C -0.160 174.508 174.900 -0.386 0.000 1.361 294 G CA -0.079 45.006 45.100 -0.026 0.000 1.047 294 G HN 0.979 nan 8.290 nan 0.000 0.540 295 N N -1.538 116.921 118.700 -0.401 0.000 2.502 295 N HA 0.340 4.990 4.740 -0.150 0.000 0.280 295 N C 0.977 176.206 175.510 -0.467 0.000 1.223 295 N CA -0.863 51.986 53.050 -0.335 0.000 0.966 295 N CB 1.341 39.738 38.487 -0.150 0.000 1.203 295 N HN 0.292 nan 8.380 nan 0.000 0.565 296 L N -0.112 121.005 121.223 -0.176 0.000 2.079 296 L HA -0.106 4.145 4.340 -0.150 0.000 0.210 296 L C 0.997 177.885 176.870 0.031 0.000 1.081 296 L CA 1.865 56.709 54.840 0.007 0.000 0.752 296 L CB -0.931 41.205 42.059 0.128 0.000 0.896 296 L HN 0.595 nan 8.230 nan 0.000 0.433 297 D N -0.771 119.625 120.400 -0.006 0.000 2.104 297 D HA -0.227 4.323 4.640 -0.150 0.000 0.194 297 D C 2.172 178.501 176.300 0.048 0.000 0.994 297 D CA 1.477 55.490 54.000 0.022 0.000 0.830 297 D CB -0.091 40.707 40.800 -0.003 0.000 0.959 297 D HN 0.525 nan 8.370 nan 0.000 0.452 298 Q N -0.703 119.100 119.800 0.004 0.000 2.046 298 Q HA -0.160 4.090 4.340 -0.150 0.000 0.200 298 Q C 2.226 178.440 176.000 0.357 0.000 0.975 298 Q CA 0.941 56.823 55.803 0.132 0.000 0.836 298 Q CB -0.223 28.506 28.738 -0.015 0.000 0.896 298 Q HN 0.358 nan 8.270 nan 0.000 0.428 299 Y N 0.924 121.340 120.300 0.195 0.000 2.114 299 Y HA -0.240 4.219 4.550 -0.151 0.000 0.282 299 Y C 2.316 178.304 175.900 0.146 0.000 1.165 299 Y CA 1.223 59.317 58.100 -0.010 0.000 1.148 299 Y CB -0.610 37.490 38.460 -0.600 0.000 0.972 299 Y HN 0.059 nan 8.280 nan 0.000 0.504 300 R N -0.846 119.842 120.500 0.314 0.000 2.081 300 R HA -0.120 4.130 4.340 -0.150 0.000 0.235 300 R C 2.218 178.649 176.300 0.218 0.000 1.131 300 R CA 1.898 58.187 56.100 0.314 0.000 0.960 300 R CB -0.677 29.761 30.300 0.230 0.000 0.856 300 R HN 0.275 nan 8.270 nan 0.000 0.436 301 T N 0.749 115.384 114.554 0.135 0.000 2.746 301 T HA -0.163 4.097 4.350 -0.150 0.000 0.267 301 T C 1.383 176.076 174.700 -0.011 0.000 1.039 301 T CA 1.321 63.387 62.100 -0.056 0.000 1.142 301 T CB -0.294 68.439 68.868 -0.225 0.000 0.866 301 T HN 0.184 nan 8.240 nan 0.000 0.444 302 F N 0.651 120.671 119.950 0.117 0.000 2.113 302 F HA -0.056 4.382 4.527 -0.147 0.000 0.297 302 F C 1.911 177.676 175.800 -0.058 0.000 1.103 302 F CA 1.085 59.171 58.000 0.143 0.000 1.248 302 F CB -0.272 38.798 39.000 0.117 0.000 0.999 302 F HN 0.117 nan 8.300 nan 0.000 0.475 303 Y N -0.156 120.348 120.300 0.340 0.000 2.395 303 Y HA -0.080 4.382 4.550 -0.146 0.000 0.293 303 Y C 2.688 178.687 175.900 0.165 0.000 1.123 303 Y CA 1.180 59.426 58.100 0.244 0.000 1.227 303 Y CB -0.980 37.714 38.460 0.390 0.000 1.012 303 Y HN -0.006 nan 8.280 nan 0.000 0.552 304 S N -0.969 114.888 115.700 0.263 0.000 2.355 304 S HA -0.201 4.179 4.470 -0.150 0.000 0.222 304 S C 2.228 176.974 174.600 0.244 0.000 1.031 304 S CA 1.383 59.719 58.200 0.227 0.000 0.993 304 S CB -0.835 62.450 63.200 0.142 0.000 0.859 304 S HN 0.525 nan 8.310 nan 0.000 0.453 305 C N 1.142 120.512 119.300 0.116 0.000 2.413 305 C HA -0.016 4.354 4.460 -0.150 0.000 0.276 305 C C 2.532 177.555 174.990 0.056 0.000 1.248 305 C CA 0.545 59.638 59.018 0.125 0.000 1.742 305 C CB -1.326 26.448 27.740 0.056 0.000 2.017 305 C HN 0.512 nan 8.230 nan 0.000 0.481 306 L N 0.391 121.583 121.223 -0.052 0.000 2.027 306 L HA -0.122 4.128 4.340 -0.150 0.000 0.206 306 L C 2.360 179.295 176.870 0.107 0.000 1.074 306 L CA 1.988 56.802 54.840 -0.043 0.000 0.745 306 L CB -1.408 40.595 42.059 -0.093 0.000 0.898 306 L HN 0.538 nan 8.230 nan 0.000 0.433 307 Y N 0.458 120.779 120.300 0.036 0.000 2.102 307 Y HA -0.289 4.173 4.550 -0.146 0.000 0.280 307 Y C 2.434 178.320 175.900 -0.022 0.000 1.178 307 Y CA 1.957 60.029 58.100 -0.048 0.000 1.146 307 Y CB -0.340 37.973 38.460 -0.244 0.000 0.968 307 Y HN 0.123 nan 8.280 nan 0.000 0.504 308 R N 0.022 120.366 120.500 -0.259 0.000 2.189 308 R HA -0.027 4.223 4.340 -0.150 0.000 0.223 308 R C 2.067 178.319 176.300 -0.079 0.000 1.092 308 R CA 1.080 57.008 56.100 -0.287 0.000 0.989 308 R CB -0.652 29.633 30.300 -0.025 0.000 0.876 308 R HN 0.343 nan 8.270 nan 0.000 0.457 309 S N 0.603 116.291 115.700 -0.020 0.000 2.603 309 S HA 0.160 4.541 4.470 -0.150 0.000 0.220 309 S C 1.199 175.792 174.600 -0.011 0.000 0.967 309 S CA 0.312 58.534 58.200 0.036 0.000 0.920 309 S CB 0.205 63.437 63.200 0.053 0.000 0.773 309 S HN 0.198 nan 8.310 nan 0.000 0.529 310 L N 0.745 121.863 121.223 -0.174 0.000 3.218 310 L HA 0.414 4.665 4.340 -0.150 0.000 0.279 310 L C 0.547 176.889 176.870 -0.881 0.000 1.287 310 L CA 0.125 54.601 54.840 -0.606 0.000 1.024 310 L CB 0.164 41.782 42.059 -0.736 0.000 1.409 310 L HN 0.212 nan 8.230 nan 0.000 0.580 311 L N -1.285 119.729 121.223 -0.348 0.000 2.624 311 L HA 0.349 4.599 4.340 -0.150 0.000 0.222 311 L C -0.143 176.674 176.870 -0.089 0.000 1.046 311 L CA 0.412 55.091 54.840 -0.268 0.000 0.872 311 L CB 0.546 42.367 42.059 -0.398 0.000 1.190 311 L HN 0.052 nan 8.230 nan 0.000 0.487 312 F N 0.381 120.522 119.950 0.317 0.000 2.563 312 F HA 0.477 4.918 4.527 -0.144 0.000 0.316 312 F C -2.233 173.766 175.800 0.332 0.000 1.076 312 F CA -2.586 55.634 58.000 0.368 0.000 0.921 312 F CB 1.078 40.235 39.000 0.262 0.000 1.209 312 F HN -0.281 nan 8.300 nan 0.000 0.462 313 P HA 0.120 nan 4.420 nan 0.000 0.271 313 P C -0.863 176.855 177.300 0.697 0.000 1.216 313 P CA -0.406 63.067 63.100 0.622 0.000 0.776 313 P CB 0.824 32.869 31.700 0.575 0.000 0.881 314 R N 2.047 122.862 120.500 0.526 0.000 2.615 314 R HA 0.307 4.557 4.340 -0.150 0.000 0.270 314 R C -0.089 176.404 176.300 0.323 0.000 1.081 314 R CA -0.678 55.652 56.100 0.384 0.000 1.154 314 R CB 0.477 30.830 30.300 0.087 0.000 1.063 314 R HN 0.299 nan 8.270 nan 0.000 0.519 315 K N 1.284 121.718 120.400 0.056 0.000 2.448 315 K HA -0.025 4.205 4.320 -0.150 0.000 0.278 315 K C -0.523 176.022 176.600 -0.091 0.000 1.009 315 K CA 0.329 56.334 56.287 -0.471 0.000 0.995 315 K CB 0.335 32.559 32.500 -0.459 0.000 0.917 315 K HN 0.523 nan 8.250 nan 0.000 0.481 316 F N 3.725 123.547 119.950 -0.214 0.000 2.814 316 F HA 0.170 4.608 4.527 -0.148 0.000 0.326 316 F C -0.947 174.939 175.800 0.144 0.000 1.159 316 F CA -0.670 57.333 58.000 0.005 0.000 1.234 316 F CB 0.440 39.446 39.000 0.010 0.000 1.016 316 F HN 0.493 nan 8.300 nan 0.000 0.510 317 Y N -1.240 119.087 120.300 0.045 0.000 2.630 317 Y HA 0.850 5.309 4.550 -0.151 0.000 0.337 317 Y C -0.813 175.141 175.900 0.090 0.000 1.051 317 Y CA -1.335 56.838 58.100 0.121 0.000 1.121 317 Y CB 0.989 39.547 38.460 0.163 0.000 1.299 317 Y HN 0.020 nan 8.280 nan 0.000 0.498 318 E N 1.205 121.539 120.200 0.222 0.000 2.416 318 E HA 0.448 4.708 4.350 -0.150 0.000 0.273 318 E C -1.782 174.935 176.600 0.196 0.000 0.935 318 E CA -1.216 55.248 56.400 0.106 0.000 0.784 318 E CB 2.413 32.159 29.700 0.076 0.000 1.301 318 E HN 0.365 nan 8.360 nan 0.000 0.454 319 L N 2.813 124.117 121.223 0.135 0.000 2.282 319 L HA 0.258 4.508 4.340 -0.150 0.000 0.288 319 L C 0.095 177.017 176.870 0.086 0.000 1.033 319 L CA -0.393 54.528 54.840 0.135 0.000 0.807 319 L CB 0.386 42.523 42.059 0.130 0.000 1.209 319 L HN 0.671 nan 8.230 nan 0.000 0.423 320 D N 2.380 122.823 120.400 0.071 0.000 2.414 320 D HA 0.179 4.730 4.640 -0.150 0.000 0.259 320 D C 1.052 177.377 176.300 0.042 0.000 1.269 320 D CA -0.090 53.937 54.000 0.045 0.000 1.028 320 D CB 0.742 41.560 40.800 0.030 0.000 1.093 320 D HN 0.443 nan 8.370 nan 0.000 0.545 321 A N -0.141 122.697 122.820 0.030 0.000 2.076 321 A HA -0.191 4.039 4.320 -0.150 0.000 0.220 321 A C 1.536 179.139 177.584 0.031 0.000 1.160 321 A CA 1.089 53.143 52.037 0.029 0.000 0.653 321 A CB -0.678 18.335 19.000 0.021 0.000 0.801 321 A HN 0.557 nan 8.150 nan 0.000 0.455 322 N N -0.921 117.797 118.700 0.030 0.000 2.322 322 N HA 0.165 4.816 4.740 -0.150 0.000 0.194 322 N C 1.061 176.595 175.510 0.040 0.000 1.126 322 N CA 0.933 54.001 53.050 0.030 0.000 0.845 322 N CB 0.466 38.966 38.487 0.023 0.000 0.976 322 N HN 0.608 nan 8.380 nan 0.000 0.475 323 G N 0.629 109.460 108.800 0.050 0.000 2.143 323 G HA2 -0.233 3.637 3.960 -0.150 0.000 0.249 323 G HA3 -0.233 3.637 3.960 -0.150 0.000 0.249 323 G C -0.133 174.810 174.900 0.072 0.000 0.981 323 G CA -0.095 45.045 45.100 0.068 0.000 0.665 323 G HN 0.206 nan 8.290 nan 0.000 0.528 324 Q N 0.474 120.304 119.800 0.050 0.000 2.230 324 Q HA 0.456 4.707 4.340 -0.150 0.000 0.253 324 Q C -2.316 173.698 176.000 0.024 0.000 0.919 324 Q CA -2.266 53.550 55.803 0.021 0.000 0.908 324 Q CB 1.712 30.448 28.738 -0.004 0.000 1.245 324 Q HN 0.314 nan 8.270 nan 0.000 0.437 325 P HA 0.164 nan 4.420 nan 0.000 0.271 325 P C -0.455 176.844 177.300 -0.002 0.000 1.226 325 P CA 0.140 63.221 63.100 -0.031 0.000 0.765 325 P CB 0.363 31.726 31.700 -0.562 0.000 0.835 326 I N 1.148 121.795 120.570 0.128 0.000 3.042 326 I HA 0.686 4.766 4.170 -0.150 0.000 0.310 326 I C -0.575 175.682 176.117 0.234 0.000 1.117 326 I CA -1.105 60.251 61.300 0.093 0.000 1.003 326 I CB 2.715 40.734 38.000 0.032 0.000 1.228 326 I HN 0.402 nan 8.210 nan 0.000 0.443 327 H N 1.548 120.712 119.070 0.157 0.000 2.996 327 H HA 0.315 4.782 4.556 -0.148 0.000 0.368 327 H C -2.127 173.346 175.328 0.241 0.000 1.185 327 H CA -0.782 55.400 56.048 0.224 0.000 1.160 327 H CB 1.293 31.232 29.762 0.295 0.000 1.820 327 H HN 0.817 nan 8.280 nan 0.000 0.547 328 Y N 2.259 122.705 120.300 0.243 0.000 2.425 328 Y HA 0.176 4.636 4.550 -0.150 0.000 0.331 328 Y C 0.276 176.426 175.900 0.418 0.000 1.157 328 Y CA 0.171 58.415 58.100 0.241 0.000 1.372 328 Y CB 0.938 39.548 38.460 0.252 0.000 1.253 328 Y HN 0.661 nan 8.280 nan 0.000 0.536 329 S N 8.360 123.901 115.700 -0.265 0.000 2.416 329 S HA 0.287 4.667 4.470 -0.150 0.000 0.287 329 S C -1.734 172.535 174.600 -0.551 0.000 1.139 329 S CA -1.586 56.535 58.200 -0.132 0.000 1.058 329 S CB 0.550 63.748 63.200 -0.003 0.000 0.967 329 S HN 0.669 nan 8.310 nan 0.000 0.495 330 P HA 0.025 nan 4.420 nan 0.000 0.242 330 P C -0.012 176.885 177.300 -0.672 0.000 1.197 330 P CA 0.545 63.297 63.100 -0.580 0.000 0.765 330 P CB -0.097 31.071 31.700 -0.888 0.000 0.936 331 Y N 1.271 121.438 120.300 -0.221 0.000 2.464 331 Y HA 0.063 4.522 4.550 -0.152 0.000 0.288 331 Y C 2.033 177.880 175.900 -0.089 0.000 1.133 331 Y CA 1.091 59.101 58.100 -0.151 0.000 1.223 331 Y CB -0.583 37.801 38.460 -0.126 0.000 1.187 331 Y HN 0.083 nan 8.280 nan 0.000 0.539 332 N N -1.297 117.423 118.700 0.033 0.000 2.159 332 N HA 0.195 4.845 4.740 -0.150 0.000 0.217 332 N C 1.267 176.744 175.510 -0.055 0.000 1.223 332 N CA 0.608 53.661 53.050 0.006 0.000 0.896 332 N CB 0.644 39.146 38.487 0.025 0.000 1.064 332 N HN 0.257 nan 8.380 nan 0.000 0.518 333 G N -0.034 108.646 108.800 -0.200 0.000 2.168 333 G HA2 -0.332 3.539 3.960 -0.150 0.000 0.263 333 G HA3 -0.332 3.539 3.960 -0.150 0.000 0.263 333 G C -0.304 174.541 174.900 -0.091 0.000 0.977 333 G CA 0.601 45.572 45.100 -0.215 0.000 0.659 333 G HN 0.534 nan 8.290 nan 0.000 0.533 334 Q N -0.881 118.856 119.800 -0.106 0.000 2.212 334 Q HA 0.622 4.872 4.340 -0.150 0.000 0.238 334 Q C 0.005 175.986 176.000 -0.031 0.000 0.955 334 Q CA -0.779 55.009 55.803 -0.026 0.000 0.906 334 Q CB 2.211 30.933 28.738 -0.027 0.000 1.215 334 Q HN 0.148 nan 8.270 nan 0.000 0.478 335 V N 2.956 122.876 119.914 0.010 0.000 2.383 335 V HA 0.410 4.440 4.120 -0.150 0.000 0.275 335 V C -0.307 175.717 176.094 -0.118 0.000 1.036 335 V CA -0.278 62.013 62.300 -0.015 0.000 0.889 335 V CB 0.531 32.377 31.823 0.040 0.000 0.985 335 V HN 0.519 nan 8.190 nan 0.000 0.459 336 L N 6.733 127.778 121.223 -0.298 0.000 2.376 336 L HA 0.630 4.880 4.340 -0.150 0.000 0.258 336 L C -2.534 174.119 176.870 -0.361 0.000 1.013 336 L CA -2.016 52.637 54.840 -0.312 0.000 0.822 336 L CB 3.188 45.075 42.059 -0.287 0.000 1.388 336 L HN 0.380 nan 8.230 nan 0.000 0.413 337 P HA 0.377 nan 4.420 nan 0.000 0.274 337 P C -0.075 177.238 177.300 0.020 0.000 1.237 337 P CA 0.255 63.312 63.100 -0.072 0.000 0.793 337 P CB 1.195 32.869 31.700 -0.043 0.000 0.977 338 G N 0.218 109.010 108.800 -0.013 0.000 2.592 338 G HA2 -0.096 3.774 3.960 -0.150 0.000 0.684 338 G HA3 -0.096 3.774 3.960 -0.150 0.000 0.684 338 G C -1.467 173.402 174.900 -0.053 0.000 1.291 338 G CA -0.926 44.129 45.100 -0.076 0.000 0.891 338 G HN 0.308 nan 8.290 nan 0.000 0.544 339 Y N -0.785 119.529 120.300 0.022 0.000 2.301 339 Y HA 0.731 5.192 4.550 -0.148 0.000 0.328 339 Y C 0.937 176.810 175.900 -0.044 0.000 1.242 339 Y CA 0.208 58.245 58.100 -0.105 0.000 1.323 339 Y CB 1.621 40.054 38.460 -0.046 0.000 1.266 339 Y HN 0.834 nan 8.280 nan 0.000 0.527 340 M N 2.836 122.585 119.600 0.249 0.000 2.365 340 M HA 0.547 4.938 4.480 -0.150 0.000 0.288 340 M C -2.450 174.069 176.300 0.365 0.000 1.152 340 M CA -0.826 54.581 55.300 0.180 0.000 0.948 340 M CB 1.135 33.598 32.600 -0.229 0.000 1.729 340 M HN 0.390 nan 8.290 nan 0.000 0.487 341 F N 0.955 121.071 119.950 0.276 0.000 2.603 341 F HA 0.917 5.355 4.527 -0.148 0.000 0.317 341 F C 0.216 176.135 175.800 0.198 0.000 1.066 341 F CA -0.322 57.861 58.000 0.306 0.000 0.941 341 F CB 2.599 41.776 39.000 0.295 0.000 1.291 341 F HN 0.669 nan 8.300 nan 0.000 0.472 342 T N -0.888 113.893 114.554 0.379 0.000 2.661 342 T HA 0.360 4.620 4.350 -0.150 0.000 0.305 342 T C -2.195 172.689 174.700 0.306 0.000 1.441 342 T CA -0.532 61.684 62.100 0.193 0.000 0.999 342 T CB 0.916 69.679 68.868 -0.174 0.000 1.650 342 T HN 0.618 nan 8.240 nan 0.000 0.489 343 D N 0.944 121.505 120.400 0.269 0.000 2.872 343 D HA -0.083 4.467 4.640 -0.150 0.000 0.248 343 D C -0.581 175.929 176.300 0.351 0.000 1.104 343 D CA 1.417 55.672 54.000 0.426 0.000 0.784 343 D CB -1.388 39.758 40.800 0.576 0.000 1.036 343 D HN 0.632 nan 8.370 nan 0.000 0.426 344 T N -1.142 113.442 114.554 0.049 0.000 2.942 344 T HA 0.599 4.859 4.350 -0.150 0.000 0.327 344 T C -0.608 173.387 174.700 -1.174 0.000 1.360 344 T CA 0.003 61.894 62.100 -0.349 0.000 1.055 344 T CB 1.729 70.641 68.868 0.073 0.000 1.261 344 T HN 0.239 nan 8.240 nan 0.000 0.485 345 G N 2.375 110.111 108.800 -1.773 0.000 2.437 345 G HA2 0.550 4.420 3.960 -0.150 0.000 0.315 345 G HA3 0.550 4.420 3.960 -0.150 0.000 0.315 345 G C 0.396 174.993 174.900 -0.505 0.000 1.210 345 G CA -0.561 43.365 45.100 -1.955 0.000 0.943 345 G HN 0.592 nan 8.290 nan 0.000 0.471 346 F N 1.025 120.874 119.950 -0.169 0.000 2.269 346 F HA 0.055 4.485 4.527 -0.162 0.000 0.301 346 F C 2.031 178.011 175.800 0.299 0.000 1.082 346 F CA -0.163 57.885 58.000 0.080 0.000 1.360 346 F CB -0.387 38.641 39.000 0.047 0.000 1.041 346 F HN 0.759 nan 8.300 nan 0.000 0.512 347 W N 1.743 123.225 121.300 0.302 0.000 2.325 347 W HA -0.237 4.454 4.660 0.051 0.000 0.299 347 W C 1.907 178.595 176.519 0.281 0.000 1.215 347 W CA 2.068 59.643 57.345 0.383 0.000 1.244 347 W CB -0.193 29.466 29.460 0.332 0.000 1.140 347 W HN -0.073 nan 8.180 nan 0.000 0.523 348 D N -1.180 119.429 120.400 0.348 0.000 2.106 348 D HA -0.131 4.420 4.640 -0.150 0.000 0.203 348 D C 2.138 178.433 176.300 -0.008 0.000 0.977 348 D CA 2.578 56.644 54.000 0.111 0.000 0.844 348 D CB -0.876 40.057 40.800 0.222 0.000 1.002 348 D HN 0.258 nan 8.370 nan 0.000 0.461 349 T N -0.853 113.803 114.554 0.171 0.000 3.081 349 T HA 0.005 4.265 4.350 -0.150 0.000 0.250 349 T C 1.896 176.787 174.700 0.319 0.000 1.100 349 T CA -0.246 62.015 62.100 0.268 0.000 1.038 349 T CB -0.697 68.441 68.868 0.451 0.000 0.962 349 T HN 0.217 nan 8.240 nan 0.000 0.516 350 F N 2.185 122.233 119.950 0.164 0.000 2.293 350 F HA 0.189 4.687 4.527 -0.048 0.000 0.300 350 F C 2.181 177.971 175.800 -0.017 0.000 1.086 350 F CA 0.050 58.062 58.000 0.020 0.000 1.375 350 F CB -0.398 38.552 39.000 -0.083 0.000 1.045 350 F HN -0.042 nan 8.300 nan 0.000 0.516 351 R N 0.482 120.504 120.500 -0.797 0.000 2.070 351 R HA -0.096 4.154 4.340 -0.150 0.000 0.232 351 R C 2.013 178.147 176.300 -0.275 0.000 1.138 351 R CA 2.144 57.810 56.100 -0.724 0.000 0.936 351 R CB -0.828 29.084 30.300 -0.647 0.000 0.839 351 R HN 0.656 nan 8.270 nan 0.000 0.429 352 C N -2.744 116.510 119.300 -0.077 0.000 4.259 352 C HA 0.367 4.737 4.460 -0.150 0.000 0.404 352 C C 1.904 177.049 174.990 0.259 0.000 1.673 352 C CA -0.892 58.114 59.018 -0.021 0.000 2.002 352 C CB -0.594 27.035 27.740 -0.185 0.000 3.094 352 C HN 0.352 nan 8.230 nan 0.000 0.681 353 L N 1.114 122.468 121.223 0.219 0.000 1.976 353 L HA 0.076 4.326 4.340 -0.150 0.000 0.209 353 L C 2.254 179.211 176.870 0.145 0.000 1.071 353 L CA 2.331 57.284 54.840 0.188 0.000 0.746 353 L CB -1.118 41.022 42.059 0.134 0.000 0.890 353 L HN 0.359 nan 8.230 nan 0.000 0.432 354 F N 0.485 120.533 119.950 0.164 0.000 2.186 354 F HA -0.078 4.351 4.527 -0.163 0.000 0.299 354 F C -0.280 175.613 175.800 0.155 0.000 1.090 354 F CA 1.357 59.437 58.000 0.132 0.000 1.307 354 F CB -1.790 37.238 39.000 0.047 0.000 1.019 354 F HN 0.206 nan 8.300 nan 0.000 0.489 355 P HA -0.192 nan 4.420 nan 0.000 0.216 355 P C 1.885 179.482 177.300 0.495 0.000 1.150 355 P CA 1.110 64.403 63.100 0.321 0.000 0.837 355 P CB -0.025 31.786 31.700 0.186 0.000 0.786 356 L N -0.965 120.567 121.223 0.515 0.000 2.083 356 L HA -0.131 4.119 4.340 -0.150 0.000 0.209 356 L C 2.090 179.158 176.870 0.329 0.000 1.083 356 L CA 1.728 56.761 54.840 0.321 0.000 0.752 356 L CB -1.307 40.816 42.059 0.106 0.000 0.899 356 L HN -0.111 nan 8.230 nan 0.000 0.433 357 L N -0.681 120.730 121.223 0.313 0.000 2.046 357 L HA -0.233 4.017 4.340 -0.150 0.000 0.208 357 L C 2.124 179.178 176.870 0.306 0.000 1.077 357 L CA 1.888 56.927 54.840 0.333 0.000 0.747 357 L CB -0.781 41.370 42.059 0.154 0.000 0.896 357 L HN 0.404 nan 8.230 nan 0.000 0.432 358 N N -0.340 118.530 118.700 0.283 0.000 2.309 358 N HA -0.175 4.476 4.740 -0.150 0.000 0.182 358 N C 1.681 177.420 175.510 0.383 0.000 1.018 358 N CA 0.508 53.711 53.050 0.255 0.000 0.876 358 N CB 0.058 38.632 38.487 0.146 0.000 0.972 358 N HN 0.147 nan 8.380 nan 0.000 0.434 359 L N 0.031 121.510 121.223 0.426 0.000 2.084 359 L HA 0.097 4.348 4.340 -0.150 0.000 0.202 359 L C 1.564 178.698 176.870 0.439 0.000 1.074 359 L CA 1.593 56.715 54.840 0.469 0.000 0.757 359 L CB -0.033 42.272 42.059 0.409 0.000 0.918 359 L HN 0.121 nan 8.230 nan 0.000 0.444 360 M N -2.180 117.522 119.600 0.170 0.000 2.491 360 M HA 0.178 4.568 4.480 -0.150 0.000 0.259 360 M C -0.024 175.914 176.300 -0.604 0.000 1.163 360 M CA 0.576 55.730 55.300 -0.244 0.000 1.109 360 M CB -0.051 32.207 32.600 -0.571 0.000 1.353 360 M HN 0.158 nan 8.290 nan 0.000 0.500 361 Y N -0.038 120.391 120.300 0.215 0.000 2.614 361 Y HA 0.303 4.761 4.550 -0.153 0.000 0.296 361 Y C -1.627 174.318 175.900 0.076 0.000 0.942 361 Y CA -1.896 56.291 58.100 0.145 0.000 1.111 361 Y CB -0.384 38.180 38.460 0.173 0.000 1.182 361 Y HN 0.056 nan 8.280 nan 0.000 0.624 362 P HA -0.210 nan 4.420 nan 0.000 0.216 362 P C 1.615 178.948 177.300 0.055 0.000 1.150 362 P CA 2.073 65.260 63.100 0.145 0.000 0.837 362 P CB 0.222 32.043 31.700 0.202 0.000 0.786 363 S N -0.908 114.820 115.700 0.047 0.000 2.419 363 S HA -0.078 4.302 4.470 -0.150 0.000 0.233 363 S C 2.030 176.579 174.600 -0.085 0.000 1.016 363 S CA 1.152 59.349 58.200 -0.006 0.000 0.974 363 S CB -1.642 61.570 63.200 0.019 0.000 0.786 363 S HN -0.003 nan 8.310 nan 0.000 0.492 364 V N 2.627 122.469 119.914 -0.120 0.000 2.407 364 V HA -0.050 3.980 4.120 -0.150 0.000 0.245 364 V C 2.694 178.560 176.094 -0.379 0.000 1.041 364 V CA 1.815 63.913 62.300 -0.335 0.000 1.040 364 V CB -1.129 30.316 31.823 -0.631 0.000 0.671 364 V HN 0.507 nan 8.190 nan 0.000 0.455 365 N N 0.612 119.179 118.700 -0.221 0.000 2.364 365 N HA -0.185 4.465 4.740 -0.150 0.000 0.183 365 N C 1.664 177.080 175.510 -0.157 0.000 1.022 365 N CA 1.195 54.149 53.050 -0.159 0.000 0.883 365 N CB -0.198 38.302 38.487 0.020 0.000 0.965 365 N HN 0.396 nan 8.380 nan 0.000 0.438 366 K N 1.246 121.563 120.400 -0.139 0.000 2.026 366 K HA -0.078 4.152 4.320 -0.150 0.000 0.208 366 K C 1.601 178.088 176.600 -0.188 0.000 1.048 366 K CA 1.571 57.786 56.287 -0.120 0.000 0.929 366 K CB -0.277 32.173 32.500 -0.084 0.000 0.713 366 K HN 0.303 nan 8.250 nan 0.000 0.439 367 E N -0.094 119.910 120.200 -0.327 0.000 2.077 367 E HA -0.194 4.066 4.350 -0.150 0.000 0.193 367 E C 2.125 178.538 176.600 -0.312 0.000 0.989 367 E CA 1.712 57.810 56.400 -0.504 0.000 0.800 367 E CB -0.208 29.122 29.700 -0.618 0.000 0.746 367 E HN 0.364 nan 8.360 nan 0.000 0.452 368 M N 0.651 119.896 119.600 -0.592 0.000 2.086 368 M HA -0.208 4.182 4.480 -0.150 0.000 0.261 368 M C 2.327 178.558 176.300 -0.114 0.000 1.067 368 M CA 1.325 56.269 55.300 -0.592 0.000 1.116 368 M CB -0.184 32.066 32.600 -0.582 0.000 1.348 368 M HN -0.000 nan 8.290 nan 0.000 0.407 369 Q N 0.365 120.110 119.800 -0.092 0.000 2.124 369 Q HA -0.154 4.096 4.340 -0.150 0.000 0.202 369 Q C 1.919 177.952 176.000 0.054 0.000 0.977 369 Q CA 1.271 57.055 55.803 -0.032 0.000 0.850 369 Q CB -0.544 28.162 28.738 -0.053 0.000 0.901 369 Q HN 0.537 nan 8.270 nan 0.000 0.429 370 E N 0.068 120.311 120.200 0.071 0.000 2.077 370 E HA -0.116 4.144 4.350 -0.150 0.000 0.193 370 E C 2.069 178.800 176.600 0.217 0.000 0.989 370 E CA 1.187 57.683 56.400 0.161 0.000 0.800 370 E CB -0.429 29.410 29.700 0.232 0.000 0.746 370 E HN 0.492 nan 8.360 nan 0.000 0.452 371 G N 1.378 110.330 108.800 0.254 0.000 2.440 371 G HA2 -0.231 3.639 3.960 -0.150 0.000 0.218 371 G HA3 -0.231 3.639 3.960 -0.150 0.000 0.218 371 G C 1.742 176.792 174.900 0.250 0.000 1.154 371 G CA 0.652 45.931 45.100 0.298 0.000 0.767 371 G HN 0.179 nan 8.290 nan 0.000 0.552 372 L N 0.331 121.700 121.223 0.244 0.000 2.093 372 L HA -0.013 4.238 4.340 -0.150 0.000 0.208 372 L C 2.779 179.891 176.870 0.403 0.000 1.085 372 L CA 0.186 55.216 54.840 0.317 0.000 0.755 372 L CB -0.390 41.812 42.059 0.237 0.000 0.904 372 L HN 0.092 nan 8.230 nan 0.000 0.435 373 I N 0.542 121.310 120.570 0.330 0.000 2.163 373 I HA -0.318 3.762 4.170 -0.150 0.000 0.243 373 I C 2.068 178.304 176.117 0.198 0.000 1.085 373 I CA 1.830 63.309 61.300 0.299 0.000 1.347 373 I CB -1.300 36.823 38.000 0.206 0.000 1.044 373 I HN 0.395 nan 8.210 nan 0.000 0.408 374 N N -0.234 118.570 118.700 0.173 0.000 2.223 374 N HA -0.142 4.508 4.740 -0.150 0.000 0.185 374 N C 1.672 177.219 175.510 0.061 0.000 1.016 374 N CA 1.580 54.711 53.050 0.135 0.000 0.863 374 N CB -0.019 38.565 38.487 0.163 0.000 0.983 374 N HN 0.326 nan 8.380 nan 0.000 0.429 375 T N -0.053 114.523 114.554 0.037 0.000 2.708 375 T HA -0.202 4.058 4.350 -0.150 0.000 0.266 375 T C 1.563 176.103 174.700 -0.267 0.000 1.037 375 T CA 1.080 63.035 62.100 -0.242 0.000 1.146 375 T CB -0.430 68.327 68.868 -0.185 0.000 0.865 375 T HN 0.336 nan 8.240 nan 0.000 0.435 376 Y N 1.623 121.757 120.300 -0.277 0.000 2.181 376 Y HA -0.042 4.418 4.550 -0.150 0.000 0.288 376 Y C 1.994 177.705 175.900 -0.316 0.000 1.146 376 Y CA 1.099 58.925 58.100 -0.456 0.000 1.164 376 Y CB -0.504 37.387 38.460 -0.947 0.000 0.982 376 Y HN 0.123 nan 8.280 nan 0.000 0.515 377 L N -0.086 121.010 121.223 -0.211 0.000 2.083 377 L HA -0.198 4.053 4.340 -0.150 0.000 0.209 377 L C 2.111 178.851 176.870 -0.216 0.000 1.083 377 L CA 1.809 56.515 54.840 -0.223 0.000 0.752 377 L CB -0.431 41.604 42.059 -0.040 0.000 0.899 377 L HN 0.277 nan 8.230 nan 0.000 0.433 378 E N -0.933 119.180 120.200 -0.146 0.000 2.318 378 E HA -0.087 4.173 4.350 -0.150 0.000 0.193 378 E C 1.928 178.479 176.600 -0.080 0.000 0.998 378 E CA 1.085 57.445 56.400 -0.066 0.000 0.859 378 E CB 0.226 29.962 29.700 0.059 0.000 0.812 378 E HN 0.442 nan 8.360 nan 0.000 0.492 379 S N -1.875 113.720 115.700 -0.175 0.000 2.604 379 S HA 0.303 4.683 4.470 -0.150 0.000 0.235 379 S C 1.560 176.149 174.600 -0.018 0.000 1.043 379 S CA 0.348 58.536 58.200 -0.020 0.000 0.997 379 S CB 1.039 64.254 63.200 0.025 0.000 0.956 379 S HN 0.287 nan 8.310 nan 0.000 0.535 380 G N 0.442 109.019 108.800 -0.371 0.000 2.225 380 G HA2 -0.206 3.664 3.960 -0.150 0.000 0.254 380 G HA3 -0.206 3.664 3.960 -0.150 0.000 0.254 380 G C -0.130 174.323 174.900 -0.745 0.000 0.988 380 G CA 0.378 45.079 45.100 -0.665 0.000 0.625 380 G HN 0.543 nan 8.290 nan 0.000 0.527 381 F N -0.586 119.237 119.950 -0.211 0.000 2.588 381 F HA 0.745 5.181 4.527 -0.150 0.000 0.310 381 F C 0.132 175.994 175.800 0.105 0.000 1.082 381 F CA -1.419 56.618 58.000 0.062 0.000 0.929 381 F CB 1.193 40.206 39.000 0.022 0.000 1.254 381 F HN -0.058 nan 8.300 nan 0.000 0.455 382 F N 3.618 123.841 119.950 0.454 0.000 2.459 382 F HA 0.314 4.753 4.527 -0.147 0.000 0.346 382 F C -1.760 174.253 175.800 0.355 0.000 1.128 382 F CA -1.924 56.262 58.000 0.311 0.000 1.268 382 F CB -0.065 39.037 39.000 0.170 0.000 1.161 382 F HN 0.126 nan 8.300 nan 0.000 0.583 383 P HA 0.160 nan 4.420 nan 0.000 0.276 383 P C -0.479 177.003 177.300 0.305 0.000 1.252 383 P CA -0.112 63.258 63.100 0.452 0.000 0.802 383 P CB 1.719 33.588 31.700 0.283 0.000 1.035 384 E N -0.012 120.290 120.200 0.171 0.000 3.249 384 E HA 0.096 4.356 4.350 -0.150 0.000 0.184 384 E C -0.224 176.308 176.600 -0.113 0.000 1.163 384 E CA 0.623 57.091 56.400 0.113 0.000 1.353 384 E CB -0.197 29.649 29.700 0.243 0.000 1.466 384 E HN 0.461 nan 8.360 nan 0.000 0.502 385 W N 1.123 122.434 121.300 0.018 0.000 2.391 385 W HA 0.584 5.151 4.660 -0.155 0.000 0.311 385 W C -0.630 175.887 176.519 -0.003 0.000 1.087 385 W CA -0.301 57.038 57.345 -0.010 0.000 1.209 385 W CB 1.532 31.011 29.460 0.032 0.000 1.273 385 W HN 0.059 nan 8.180 nan 0.000 0.482 386 A N 3.040 126.067 122.820 0.346 0.000 2.374 386 A HA 0.714 4.944 4.320 -0.150 0.000 0.305 386 A C -0.804 176.922 177.584 0.236 0.000 1.053 386 A CA -0.560 51.597 52.037 0.199 0.000 0.726 386 A CB 1.890 20.936 19.000 0.078 0.000 1.229 386 A HN 0.359 nan 8.150 nan 0.000 0.431 387 S N 3.559 119.283 115.700 0.041 0.000 2.666 387 S HA 0.400 4.780 4.470 -0.150 0.000 0.165 387 S C -2.556 171.860 174.600 -0.307 0.000 0.865 387 S CA -0.359 57.847 58.200 0.010 0.000 1.038 387 S CB 1.005 64.338 63.200 0.221 0.000 1.507 387 S HN 0.467 nan 8.310 nan 0.000 0.422 388 P HA 0.234 nan 4.420 nan 0.000 0.226 388 P C 1.029 177.854 177.300 -0.791 0.000 1.161 388 P CA 0.546 63.150 63.100 -0.828 0.000 0.804 388 P CB 0.035 30.930 31.700 -1.343 0.000 0.829 389 G N -0.505 107.840 108.800 -0.758 0.000 2.583 389 G HA2 0.200 4.070 3.960 -0.150 0.000 0.280 389 G HA3 0.200 4.070 3.960 -0.150 0.000 0.280 389 G C -0.538 174.163 174.900 -0.331 0.000 1.376 389 G CA -0.403 44.184 45.100 -0.855 0.000 1.043 389 G HN 0.083 nan 8.290 nan 0.000 0.538 390 H N 0.848 119.920 119.070 0.004 0.000 2.964 390 H HA 0.208 4.674 4.556 -0.151 0.000 0.328 390 H C 0.285 175.561 175.328 -0.086 0.000 1.030 390 H CA 0.540 56.580 56.048 -0.012 0.000 1.445 390 H CB 0.487 30.148 29.762 -0.169 0.000 1.449 390 H HN 0.130 nan 8.280 nan 0.000 0.581 391 R N 1.497 122.062 120.500 0.108 0.000 2.686 391 R HA 0.313 4.563 4.340 -0.150 0.000 0.286 391 R C 0.231 176.546 176.300 0.025 0.000 0.969 391 R CA -0.965 55.146 56.100 0.018 0.000 0.898 391 R CB 2.163 32.445 30.300 -0.029 0.000 1.183 391 R HN 0.770 nan 8.270 nan 0.000 0.456 392 G N 0.725 109.506 108.800 -0.031 0.000 2.391 392 G HA2 0.384 4.255 3.960 -0.150 0.000 0.305 392 G HA3 0.384 4.255 3.960 -0.150 0.000 0.305 392 G C -0.527 174.341 174.900 -0.054 0.000 1.072 392 G CA -0.090 44.998 45.100 -0.021 0.000 1.016 392 G HN 0.508 nan 8.290 nan 0.000 0.418 393 C N 5.448 124.739 119.300 -0.015 0.000 3.146 393 C HA 0.609 4.980 4.460 -0.150 0.000 0.405 393 C C -0.168 174.876 174.990 0.089 0.000 1.012 393 C CA -0.597 58.369 59.018 -0.087 0.000 1.217 393 C CB 0.213 27.685 27.740 -0.448 0.000 1.599 393 C HN 1.056 nan 8.230 nan 0.000 0.567 394 M N 3.051 122.624 119.600 -0.046 0.000 7.319 394 M HA -0.123 4.267 4.480 -0.150 0.000 0.129 394 M C -0.082 176.186 176.300 -0.053 0.000 0.480 394 M CA 1.707 56.891 55.300 -0.193 0.000 1.311 394 M CB -2.188 30.272 32.600 -0.233 0.000 0.421 394 M HN 1.855 nan 8.290 nan 0.000 0.500 395 V N -3.183 116.716 119.914 -0.024 0.000 3.181 395 V HA 1.036 5.066 4.120 -0.150 0.000 0.307 395 V C 0.156 176.497 176.094 0.411 0.000 1.310 395 V CA 0.633 63.034 62.300 0.168 0.000 1.067 395 V CB 1.232 33.111 31.823 0.094 0.000 1.081 395 V HN 2.710 nan 8.190 nan 0.000 0.453 396 G N 0.676 109.693 108.800 0.362 0.000 2.707 396 G HA2 -0.142 3.728 3.960 -0.150 0.000 0.686 396 G HA3 -0.142 3.728 3.960 -0.150 0.000 0.686 396 G C -0.388 174.777 174.900 0.441 0.000 1.315 396 G CA 0.091 45.456 45.100 0.441 0.000 0.832 396 G HN 1.693 nan 8.290 nan 0.000 0.573 397 N N -0.126 118.795 118.700 0.368 0.000 2.535 397 N HA 0.126 4.776 4.740 -0.150 0.000 0.294 397 N C 1.087 176.617 175.510 0.033 0.000 1.408 397 N CA 0.077 53.223 53.050 0.159 0.000 0.927 397 N CB -0.165 38.313 38.487 -0.016 0.000 1.276 397 N HN 0.502 nan 8.380 nan 0.000 0.505 398 N N -0.496 118.238 118.700 0.057 0.000 2.550 398 N HA -0.120 4.530 4.740 -0.150 0.000 0.186 398 N C 1.878 177.246 175.510 -0.237 0.000 1.110 398 N CA 0.507 53.444 53.050 -0.189 0.000 0.912 398 N CB 0.259 38.596 38.487 -0.250 0.000 0.968 398 N HN 0.314 nan 8.380 nan 0.000 0.448 399 S N 0.604 116.259 115.700 -0.075 0.000 2.407 399 S HA -0.251 4.129 4.470 -0.150 0.000 0.235 399 S C 2.123 176.430 174.600 -0.489 0.000 1.036 399 S CA 1.048 59.056 58.200 -0.321 0.000 1.013 399 S CB -0.512 62.710 63.200 0.037 0.000 0.820 399 S HN 0.382 nan 8.310 nan 0.000 0.476 400 A N 1.505 124.096 122.820 -0.382 0.000 1.933 400 A HA -0.039 4.191 4.320 -0.150 0.000 0.218 400 A C 2.475 179.776 177.584 -0.472 0.000 1.175 400 A CA 1.957 53.732 52.037 -0.438 0.000 0.628 400 A CB -1.384 17.384 19.000 -0.386 0.000 0.814 400 A HN 0.631 nan 8.150 nan 0.000 0.444 401 S N -0.364 115.045 115.700 -0.484 0.000 2.356 401 S HA -0.129 4.251 4.470 -0.150 0.000 0.223 401 S C 1.957 176.347 174.600 -0.350 0.000 1.032 401 S CA 1.415 59.371 58.200 -0.407 0.000 1.005 401 S CB -0.463 62.509 63.200 -0.380 0.000 0.867 401 S HN 0.412 nan 8.310 nan 0.000 0.449 402 I N 1.532 121.801 120.570 -0.501 0.000 2.127 402 I HA -0.181 3.899 4.170 -0.150 0.000 0.241 402 I C 2.403 178.218 176.117 -0.503 0.000 1.075 402 I CA 1.361 62.283 61.300 -0.630 0.000 1.334 402 I CB -1.368 35.892 38.000 -1.233 0.000 1.040 402 I HN 0.360 nan 8.210 nan 0.000 0.405 403 L N 0.008 120.905 121.223 -0.543 0.000 2.017 403 L HA -0.176 4.074 4.340 -0.150 0.000 0.208 403 L C 2.638 179.331 176.870 -0.296 0.000 1.073 403 L CA 0.964 55.535 54.840 -0.449 0.000 0.745 403 L CB -0.658 41.041 42.059 -0.601 0.000 0.894 403 L HN 0.018 nan 8.230 nan 0.000 0.432 404 V N -0.379 119.344 119.914 -0.318 0.000 2.379 404 V HA -0.270 3.760 4.120 -0.150 0.000 0.245 404 V C 2.151 178.148 176.094 -0.162 0.000 1.044 404 V CA 1.931 64.078 62.300 -0.254 0.000 1.036 404 V CB -0.455 31.162 31.823 -0.343 0.000 0.664 404 V HN 0.454 nan 8.190 nan 0.000 0.453 405 D N 0.517 120.815 120.400 -0.170 0.000 2.104 405 D HA -0.179 4.372 4.640 -0.150 0.000 0.194 405 D C 2.134 178.365 176.300 -0.114 0.000 0.994 405 D CA 1.706 55.632 54.000 -0.123 0.000 0.830 405 D CB -0.158 40.591 40.800 -0.085 0.000 0.959 405 D HN 0.354 nan 8.370 nan 0.000 0.452 406 A N -0.643 122.116 122.820 -0.102 0.000 1.865 406 A HA -0.210 4.020 4.320 -0.150 0.000 0.217 406 A C 2.309 179.852 177.584 -0.068 0.000 1.191 406 A CA 1.748 53.741 52.037 -0.072 0.000 0.623 406 A CB -1.476 17.482 19.000 -0.071 0.000 0.826 406 A HN 0.517 nan 8.150 nan 0.000 0.444 407 Y N -0.064 120.136 120.300 -0.165 0.000 2.128 407 Y HA -0.232 4.227 4.550 -0.152 0.000 0.284 407 Y C 2.326 178.134 175.900 -0.153 0.000 1.154 407 Y CA 2.243 60.253 58.100 -0.151 0.000 1.149 407 Y CB -0.154 38.205 38.460 -0.169 0.000 0.976 407 Y HN 0.223 nan 8.280 nan 0.000 0.505 408 M N -0.155 119.448 119.600 0.004 0.000 2.374 408 M HA -0.126 4.265 4.480 -0.150 0.000 0.264 408 M C 1.374 177.553 176.300 -0.202 0.000 1.067 408 M CA 1.479 56.726 55.300 -0.087 0.000 1.103 408 M CB -0.708 31.827 32.600 -0.107 0.000 1.402 408 M HN 0.176 nan 8.290 nan 0.000 0.444 409 K N -0.358 119.895 120.400 -0.245 0.000 2.410 409 K HA 0.270 4.501 4.320 -0.150 0.000 0.200 409 K C 0.869 177.357 176.600 -0.188 0.000 1.023 409 K CA 0.327 56.402 56.287 -0.354 0.000 1.149 409 K CB 0.136 32.332 32.500 -0.507 0.000 0.859 409 K HN 0.467 nan 8.250 nan 0.000 0.514 410 G N 0.440 109.123 108.800 -0.194 0.000 2.157 410 G HA2 -0.218 3.652 3.960 -0.150 0.000 0.248 410 G HA3 -0.218 3.652 3.960 -0.150 0.000 0.248 410 G C -0.010 174.818 174.900 -0.119 0.000 0.979 410 G CA -0.066 44.945 45.100 -0.148 0.000 0.650 410 G HN 0.137 nan 8.290 nan 0.000 0.529 411 V N 1.707 121.548 119.914 -0.121 0.000 2.284 411 V HA 0.392 4.422 4.120 -0.150 0.000 0.260 411 V C 0.404 176.433 176.094 -0.108 0.000 1.084 411 V CA -0.090 62.165 62.300 -0.076 0.000 0.894 411 V CB 0.834 32.640 31.823 -0.029 0.000 1.119 411 V HN 0.303 nan 8.190 nan 0.000 0.484 412 K N 3.731 124.059 120.400 -0.120 0.000 2.339 412 K HA 0.542 4.773 4.320 -0.150 0.000 0.264 412 K C -0.189 176.412 176.600 0.001 0.000 0.986 412 K CA -0.680 55.545 56.287 -0.102 0.000 0.866 412 K CB 2.340 34.697 32.500 -0.237 0.000 1.103 412 K HN 0.538 nan 8.250 nan 0.000 0.441 413 V N -0.178 119.772 119.914 0.061 0.000 2.999 413 V HA -0.023 4.008 4.120 -0.150 0.000 0.307 413 V C 0.763 176.901 176.094 0.072 0.000 1.084 413 V CA -0.037 62.303 62.300 0.067 0.000 1.155 413 V CB 0.649 32.519 31.823 0.078 0.000 0.975 413 V HN 0.674 nan 8.190 nan 0.000 0.490 414 D N 1.104 121.544 120.400 0.066 0.000 2.097 414 D HA -0.106 4.444 4.640 -0.150 0.000 0.195 414 D C 0.921 177.257 176.300 0.060 0.000 0.989 414 D CA 2.014 56.049 54.000 0.058 0.000 0.827 414 D CB -0.166 40.668 40.800 0.057 0.000 0.966 414 D HN 0.891 nan 8.370 nan 0.000 0.456 415 D N 0.514 120.953 120.400 0.066 0.000 2.564 415 D HA 0.055 4.605 4.640 -0.150 0.000 0.226 415 D C 1.505 177.835 176.300 0.050 0.000 1.149 415 D CA -0.263 53.770 54.000 0.056 0.000 0.994 415 D CB -0.315 40.521 40.800 0.061 0.000 1.029 415 D HN 0.232 nan 8.370 nan 0.000 0.517 416 I N -0.556 120.039 120.570 0.043 0.000 2.928 416 I HA -0.005 4.075 4.170 -0.150 0.000 0.266 416 I C 1.938 178.052 176.117 -0.005 0.000 1.234 416 I CA 0.184 61.493 61.300 0.014 0.000 1.483 416 I CB 0.013 38.024 38.000 0.018 0.000 1.097 416 I HN 0.046 nan 8.210 nan 0.000 0.455 417 K N 1.794 122.197 120.400 0.005 0.000 2.026 417 K HA -0.138 4.092 4.320 -0.150 0.000 0.208 417 K C 1.951 178.561 176.600 0.016 0.000 1.048 417 K CA 2.250 58.544 56.287 0.012 0.000 0.929 417 K CB -0.194 32.310 32.500 0.008 0.000 0.713 417 K HN 0.302 nan 8.250 nan 0.000 0.439 418 T N 2.121 116.680 114.554 0.009 0.000 2.821 418 T HA -0.127 4.133 4.350 -0.150 0.000 0.267 418 T C 1.653 176.296 174.700 -0.094 0.000 1.046 418 T CA 1.113 63.198 62.100 -0.025 0.000 1.139 418 T CB -0.231 68.660 68.868 0.038 0.000 0.871 418 T HN 0.194 nan 8.240 nan 0.000 0.454 419 L N 0.594 121.819 121.223 0.004 0.000 1.990 419 L HA -0.123 4.128 4.340 -0.150 0.000 0.213 419 L C 2.091 178.933 176.870 -0.047 0.000 1.072 419 L CA 1.892 56.752 54.840 0.034 0.000 0.755 419 L CB -1.179 40.863 42.059 -0.029 0.000 0.889 419 L HN 0.278 nan 8.230 nan 0.000 0.432 420 Y N 0.543 120.734 120.300 -0.181 0.000 2.200 420 Y HA -0.192 4.268 4.550 -0.150 0.000 0.290 420 Y C 2.531 178.319 175.900 -0.186 0.000 1.137 420 Y CA 2.137 60.109 58.100 -0.214 0.000 1.163 420 Y CB -0.170 38.163 38.460 -0.212 0.000 0.988 420 Y HN 0.417 nan 8.280 nan 0.000 0.518 421 E N -0.841 119.267 120.200 -0.153 0.000 2.110 421 E HA -0.163 4.098 4.350 -0.150 0.000 0.193 421 E C 2.404 178.797 176.600 -0.345 0.000 0.988 421 E CA 0.924 57.202 56.400 -0.203 0.000 0.804 421 E CB -0.526 29.119 29.700 -0.091 0.000 0.745 421 E HN 0.622 nan 8.360 nan 0.000 0.458 422 G N 1.212 109.635 108.800 -0.628 0.000 2.440 422 G HA2 -0.250 3.620 3.960 -0.150 0.000 0.218 422 G HA3 -0.250 3.620 3.960 -0.150 0.000 0.218 422 G C 1.563 176.334 174.900 -0.215 0.000 1.154 422 G CA 0.559 45.062 45.100 -0.996 0.000 0.767 422 G HN 0.084 nan 8.290 nan 0.000 0.552 423 L N 0.352 121.487 121.223 -0.146 0.000 1.994 423 L HA -0.086 4.164 4.340 -0.150 0.000 0.208 423 L C 2.846 179.535 176.870 -0.301 0.000 1.071 423 L CA 0.612 55.306 54.840 -0.244 0.000 0.745 423 L CB -0.398 41.383 42.059 -0.462 0.000 0.892 423 L HN 0.109 nan 8.230 nan 0.000 0.431 424 I N -0.674 119.647 120.570 -0.415 0.000 2.179 424 I HA -0.345 3.735 4.170 -0.150 0.000 0.242 424 I C 2.579 178.602 176.117 -0.157 0.000 1.088 424 I CA 1.655 62.787 61.300 -0.280 0.000 1.357 424 I CB -1.628 36.203 38.000 -0.282 0.000 1.051 424 I HN 0.450 nan 8.210 nan 0.000 0.409 425 H N 1.366 120.299 119.070 -0.228 0.000 2.353 425 H HA -0.173 4.293 4.556 -0.150 0.000 0.298 425 H C 2.121 177.318 175.328 -0.218 0.000 1.103 425 H CA 2.002 57.919 56.048 -0.218 0.000 1.293 425 H CB -0.068 29.575 29.762 -0.198 0.000 1.372 425 H HN 0.340 nan 8.280 nan 0.000 0.501 426 G N -0.505 108.216 108.800 -0.132 0.000 2.471 426 G HA2 -0.224 3.646 3.960 -0.150 0.000 0.219 426 G HA3 -0.224 3.646 3.960 -0.150 0.000 0.219 426 G C 1.806 176.592 174.900 -0.190 0.000 1.125 426 G CA 1.163 46.217 45.100 -0.078 0.000 0.775 426 G HN 0.609 nan 8.290 nan 0.000 0.548 427 T N -1.053 113.375 114.554 -0.210 0.000 3.088 427 T HA 0.082 4.343 4.350 -0.150 0.000 0.259 427 T C 1.323 175.840 174.700 -0.304 0.000 1.122 427 T CA 1.205 63.194 62.100 -0.185 0.000 1.095 427 T CB -0.042 68.831 68.868 0.008 0.000 0.930 427 T HN 0.568 nan 8.240 nan 0.000 0.508 428 E N 0.187 120.068 120.200 -0.533 0.000 3.029 428 E HA 0.288 4.548 4.350 -0.150 0.000 0.196 428 E C -0.654 175.121 176.600 -1.374 0.000 0.973 428 E CA -0.753 55.069 56.400 -0.963 0.000 1.242 428 E CB 0.262 29.678 29.700 -0.474 0.000 1.056 428 E HN 0.298 nan 8.360 nan 0.000 0.469 429 N N 0.692 118.795 118.700 -0.994 0.000 2.416 429 N HA 0.382 5.032 4.740 -0.150 0.000 0.276 429 N C -1.818 173.674 175.510 -0.030 0.000 1.261 429 N CA -0.565 52.168 53.050 -0.528 0.000 0.790 429 N CB 2.979 41.163 38.487 -0.504 0.000 1.554 429 N HN 0.013 nan 8.380 nan 0.000 0.481 430 V N 0.452 120.492 119.914 0.211 0.000 2.823 430 V HA 0.322 4.353 4.120 -0.150 0.000 0.312 430 V C -0.761 175.354 176.094 0.034 0.000 1.072 430 V CA -0.564 61.837 62.300 0.168 0.000 0.937 430 V CB 1.842 33.778 31.823 0.189 0.000 1.013 430 V HN 0.827 nan 8.190 nan 0.000 0.430 431 H N 7.670 126.442 119.070 -0.497 0.000 2.803 431 H HA 0.358 4.825 4.556 -0.148 0.000 0.330 431 H C -1.620 173.587 175.328 -0.201 0.000 1.057 431 H CA -0.800 54.854 56.048 -0.656 0.000 1.458 431 H CB 1.737 30.929 29.762 -0.951 0.000 1.470 431 H HN 0.510 nan 8.280 nan 0.000 0.560 432 P HA -0.140 nan 4.420 nan 0.000 0.222 432 P C 0.256 177.583 177.300 0.045 0.000 1.147 432 P CA 1.126 64.187 63.100 -0.065 0.000 0.790 432 P CB 0.565 32.206 31.700 -0.099 0.000 0.780 433 E N -0.898 119.430 120.200 0.213 0.000 2.413 433 E HA 0.136 4.396 4.350 -0.150 0.000 0.203 433 E C 0.314 177.000 176.600 0.145 0.000 0.957 433 E CA 0.259 56.776 56.400 0.195 0.000 0.950 433 E CB 0.730 30.555 29.700 0.208 0.000 0.957 433 E HN 0.103 nan 8.360 nan 0.000 0.497 434 V N 2.987 122.997 119.914 0.159 0.000 2.340 434 V HA 0.070 4.100 4.120 -0.150 0.000 0.277 434 V C 1.121 177.180 176.094 -0.058 0.000 1.017 434 V CA -0.049 62.206 62.300 -0.075 0.000 0.820 434 V CB 1.246 32.859 31.823 -0.351 0.000 1.028 434 V HN 0.140 nan 8.190 nan 0.000 0.436 435 S N 2.045 117.742 115.700 -0.004 0.000 2.515 435 S HA -0.101 4.279 4.470 -0.150 0.000 0.231 435 S C 1.722 176.343 174.600 0.034 0.000 0.987 435 S CA 0.981 59.194 58.200 0.022 0.000 0.936 435 S CB -0.112 63.110 63.200 0.037 0.000 0.766 435 S HN 0.874 nan 8.310 nan 0.000 0.528 436 S N 0.039 115.753 115.700 0.025 0.000 2.575 436 S HA 0.173 4.553 4.470 -0.150 0.000 0.215 436 S C 0.384 175.016 174.600 0.055 0.000 0.966 436 S CA -0.376 57.869 58.200 0.075 0.000 0.911 436 S CB -0.376 62.889 63.200 0.108 0.000 0.780 436 S HN 0.363 nan 8.310 nan 0.000 0.514 437 T N 2.567 117.074 114.554 -0.078 0.000 2.749 437 T HA 0.658 4.919 4.350 -0.150 0.000 0.287 437 T C 0.620 175.184 174.700 -0.227 0.000 0.970 437 T CA 0.295 62.274 62.100 -0.202 0.000 0.980 437 T CB 0.823 69.352 68.868 -0.564 0.000 0.924 437 T HN 0.821 nan 8.240 nan 0.000 0.456 438 G N 3.280 112.093 108.800 0.023 0.000 2.615 438 G HA2 -0.177 3.693 3.960 -0.150 0.000 0.218 438 G HA3 -0.177 3.693 3.960 -0.150 0.000 0.218 438 G C -0.807 174.153 174.900 0.101 0.000 1.339 438 G CA -0.898 44.308 45.100 0.176 0.000 0.884 438 G HN 0.746 nan 8.290 nan 0.000 0.559 439 R N -0.164 120.379 120.500 0.071 0.000 2.335 439 R HA 0.389 4.639 4.340 -0.150 0.000 0.302 439 R C 0.031 176.478 176.300 0.245 0.000 1.147 439 R CA -0.812 55.314 56.100 0.043 0.000 1.111 439 R CB 1.079 31.201 30.300 -0.298 0.000 1.122 439 R HN 0.544 nan 8.270 nan 0.000 0.557 440 L N 1.838 123.218 121.223 0.262 0.000 2.578 440 L HA 0.080 4.330 4.340 -0.150 0.000 0.279 440 L C 1.198 178.231 176.870 0.272 0.000 1.227 440 L CA 1.759 56.736 54.840 0.227 0.000 0.900 440 L CB 0.432 42.589 42.059 0.164 0.000 1.144 440 L HN 0.921 nan 8.230 nan 0.000 0.496 441 G N 3.414 112.325 108.800 0.186 0.000 2.148 441 G HA2 -0.401 3.469 3.960 -0.150 0.000 0.254 441 G HA3 -0.401 3.469 3.960 -0.150 0.000 0.254 441 G C 0.572 175.580 174.900 0.180 0.000 0.981 441 G CA 0.828 46.052 45.100 0.206 0.000 0.670 441 G HN 1.157 nan 8.290 nan 0.000 0.528 442 Y N 0.188 120.562 120.300 0.124 0.000 2.256 442 Y HA 0.091 4.550 4.550 -0.151 0.000 0.288 442 Y C 2.163 178.113 175.900 0.085 0.000 1.155 442 Y CA 1.831 59.976 58.100 0.075 0.000 1.203 442 Y CB -0.469 37.965 38.460 -0.043 0.000 0.980 442 Y HN 0.366 nan 8.280 nan 0.000 0.530 443 E N 0.340 120.092 120.200 -0.748 0.000 2.051 443 E HA -0.174 4.087 4.350 -0.150 0.000 0.192 443 E C 1.797 178.225 176.600 -0.287 0.000 0.991 443 E CA 1.957 58.032 56.400 -0.541 0.000 0.799 443 E CB -0.717 28.535 29.700 -0.747 0.000 0.748 443 E HN 0.625 nan 8.360 nan 0.000 0.449 444 Y N -0.686 119.531 120.300 -0.138 0.000 2.145 444 Y HA -0.217 4.243 4.550 -0.150 0.000 0.286 444 Y C 2.301 178.151 175.900 -0.083 0.000 1.145 444 Y CA 1.406 59.429 58.100 -0.129 0.000 1.148 444 Y CB -0.774 37.605 38.460 -0.136 0.000 0.981 444 Y HN 0.143 nan 8.280 nan 0.000 0.507 445 Y N 1.052 121.406 120.300 0.090 0.000 2.145 445 Y HA -0.271 4.191 4.550 -0.148 0.000 0.286 445 Y C 1.937 177.872 175.900 0.059 0.000 1.145 445 Y CA 2.036 60.200 58.100 0.107 0.000 1.148 445 Y CB -0.780 37.834 38.460 0.257 0.000 0.981 445 Y HN 0.165 nan 8.280 nan 0.000 0.507 446 N N -0.170 118.623 118.700 0.156 0.000 2.223 446 N HA -0.192 4.458 4.740 -0.150 0.000 0.185 446 N C 1.833 177.298 175.510 -0.075 0.000 1.016 446 N CA 1.213 54.278 53.050 0.026 0.000 0.863 446 N CB -0.163 38.391 38.487 0.113 0.000 0.983 446 N HN 0.351 nan 8.380 nan 0.000 0.429 447 K N 1.102 121.458 120.400 -0.075 0.000 2.067 447 K HA 0.032 4.262 4.320 -0.150 0.000 0.203 447 K C 1.591 178.123 176.600 -0.114 0.000 1.048 447 K CA 0.743 56.975 56.287 -0.092 0.000 0.954 447 K CB 0.203 32.645 32.500 -0.096 0.000 0.737 447 K HN 0.093 nan 8.250 nan 0.000 0.444 448 L N -1.238 119.886 121.223 -0.164 0.000 2.515 448 L HA 0.293 4.543 4.340 -0.150 0.000 0.223 448 L C 1.173 177.947 176.870 -0.159 0.000 1.079 448 L CA 0.440 55.149 54.840 -0.218 0.000 0.857 448 L CB 0.685 42.451 42.059 -0.488 0.000 1.050 448 L HN 0.598 nan 8.230 nan 0.000 0.476 449 G N 0.094 108.764 108.800 -0.217 0.000 2.176 449 G HA2 -0.292 3.579 3.960 -0.150 0.000 0.232 449 G HA3 -0.292 3.579 3.960 -0.150 0.000 0.232 449 G C -0.015 174.881 174.900 -0.007 0.000 0.986 449 G CA 0.186 45.177 45.100 -0.181 0.000 0.643 449 G HN 0.423 nan 8.290 nan 0.000 0.522 450 Y N -2.593 117.673 120.300 -0.056 0.000 2.677 450 Y HA 0.662 5.121 4.550 -0.151 0.000 0.334 450 Y C -0.461 175.569 175.900 0.216 0.000 1.196 450 Y CA -1.729 56.452 58.100 0.134 0.000 1.059 450 Y CB 0.844 39.331 38.460 0.045 0.000 1.315 450 Y HN 0.390 nan 8.280 nan 0.000 0.455 451 V N 3.388 123.510 119.914 0.346 0.000 2.408 451 V HA 0.373 4.403 4.120 -0.150 0.000 0.267 451 V C -2.174 173.998 176.094 0.131 0.000 1.047 451 V CA -1.705 60.692 62.300 0.163 0.000 0.937 451 V CB 0.627 32.532 31.823 0.137 0.000 0.999 451 V HN 0.603 nan 8.190 nan 0.000 0.472 452 P HA 0.058 nan 4.420 nan 0.000 0.271 452 P C 0.041 177.337 177.300 -0.007 0.000 1.233 452 P CA -0.018 63.095 63.100 0.021 0.000 0.789 452 P CB 0.567 32.121 31.700 -0.243 0.000 0.951 453 Y N 1.181 121.434 120.300 -0.077 0.000 2.517 453 Y HA 0.019 4.478 4.550 -0.153 0.000 0.281 453 Y C 0.610 176.449 175.900 -0.101 0.000 1.125 453 Y CA 0.740 58.778 58.100 -0.102 0.000 1.283 453 Y CB 0.242 38.650 38.460 -0.087 0.000 1.042 453 Y HN 0.241 nan 8.280 nan 0.000 0.547 454 D N 0.162 120.527 120.400 -0.059 0.000 2.891 454 D HA 0.079 4.629 4.640 -0.150 0.000 0.312 454 D C 0.087 176.302 176.300 -0.142 0.000 1.354 454 D CA 0.212 54.156 54.000 -0.095 0.000 0.838 454 D CB -0.250 40.568 40.800 0.030 0.000 1.117 454 D HN 0.187 nan 8.370 nan 0.000 0.473 455 V N -3.051 116.736 119.914 -0.210 0.000 3.078 455 V HA 0.449 4.479 4.120 -0.150 0.000 0.344 455 V C 0.347 176.363 176.094 -0.131 0.000 1.409 455 V CA -0.829 61.346 62.300 -0.210 0.000 1.146 455 V CB -0.454 31.081 31.823 -0.480 0.000 1.126 455 V HN 0.093 nan 8.190 nan 0.000 0.513 456 K N 0.329 120.650 120.400 -0.130 0.000 3.230 456 K HA -0.132 4.098 4.320 -0.150 0.000 0.285 456 K C -0.227 176.328 176.600 -0.074 0.000 1.196 456 K CA 1.317 57.550 56.287 -0.090 0.000 0.838 456 K CB -1.768 30.706 32.500 -0.044 0.000 1.262 456 K HN 0.759 nan 8.250 nan 0.000 0.492 457 I N 1.719 122.225 120.570 -0.107 0.000 2.428 457 I HA 0.163 4.243 4.170 -0.150 0.000 0.279 457 I C 0.222 176.270 176.117 -0.115 0.000 1.040 457 I CA -0.955 60.302 61.300 -0.071 0.000 1.171 457 I CB 0.933 38.913 38.000 -0.034 0.000 1.312 457 I HN 0.087 nan 8.210 nan 0.000 0.470 458 N N 5.523 124.169 118.700 -0.091 0.000 2.381 458 N HA 0.027 4.677 4.740 -0.150 0.000 0.241 458 N C 0.507 175.931 175.510 -0.143 0.000 1.279 458 N CA 0.316 53.294 53.050 -0.119 0.000 0.896 458 N CB 0.360 38.842 38.487 -0.008 0.000 1.118 458 N HN 0.514 nan 8.380 nan 0.000 0.438 459 E N -1.129 118.937 120.200 -0.224 0.000 2.586 459 E HA -0.284 3.976 4.350 -0.150 0.000 0.259 459 E C 0.408 176.865 176.600 -0.238 0.000 1.107 459 E CA 0.422 56.681 56.400 -0.235 0.000 0.754 459 E CB -1.876 27.739 29.700 -0.143 0.000 1.335 459 E HN 0.715 nan 8.360 nan 0.000 0.411 460 N N 0.604 119.166 118.700 -0.231 0.000 2.166 460 N HA -0.163 4.487 4.740 -0.150 0.000 0.186 460 N C 1.814 177.216 175.510 -0.181 0.000 1.019 460 N CA 1.486 54.436 53.050 -0.167 0.000 0.856 460 N CB -0.140 38.279 38.487 -0.113 0.000 0.993 460 N HN 0.304 nan 8.380 nan 0.000 0.426 461 A N 1.338 123.970 122.820 -0.313 0.000 1.897 461 A HA 0.290 4.520 4.320 -0.150 0.000 0.215 461 A C 2.553 179.980 177.584 -0.261 0.000 1.181 461 A CA 1.362 53.214 52.037 -0.309 0.000 0.620 461 A CB -0.748 17.869 19.000 -0.638 0.000 0.821 461 A HN 0.436 nan 8.150 nan 0.000 0.443 462 A N 0.275 122.837 122.820 -0.430 0.000 1.877 462 A HA -0.179 4.051 4.320 -0.150 0.000 0.216 462 A C 2.229 179.694 177.584 -0.199 0.000 1.186 462 A CA 1.553 53.264 52.037 -0.542 0.000 0.620 462 A CB -0.503 18.089 19.000 -0.680 0.000 0.822 462 A HN 0.551 nan 8.150 nan 0.000 0.443 463 R N -0.910 119.430 120.500 -0.268 0.000 2.083 463 R HA -0.109 4.141 4.340 -0.150 0.000 0.237 463 R C 2.283 178.148 176.300 -0.726 0.000 1.137 463 R CA 1.893 57.656 56.100 -0.562 0.000 0.951 463 R CB -0.960 28.981 30.300 -0.597 0.000 0.851 463 R HN 0.524 nan 8.270 nan 0.000 0.434 464 T N 1.722 116.111 114.554 -0.275 0.000 2.708 464 T HA -0.091 4.169 4.350 -0.150 0.000 0.266 464 T C 1.933 176.770 174.700 0.228 0.000 1.037 464 T CA 1.117 63.261 62.100 0.074 0.000 1.146 464 T CB -0.166 68.848 68.868 0.243 0.000 0.865 464 T HN 0.121 nan 8.240 nan 0.000 0.435 465 L N 0.523 121.870 121.223 0.207 0.000 2.046 465 L HA -0.088 4.162 4.340 -0.150 0.000 0.208 465 L C 2.735 179.852 176.870 0.411 0.000 1.077 465 L CA 1.442 56.491 54.840 0.347 0.000 0.747 465 L CB -0.489 41.788 42.059 0.364 0.000 0.896 465 L HN 0.322 nan 8.230 nan 0.000 0.432 466 E N -1.008 119.401 120.200 0.348 0.000 2.107 466 E HA -0.180 4.080 4.350 -0.150 0.000 0.191 466 E C 2.189 179.017 176.600 0.380 0.000 0.982 466 E CA 0.780 57.427 56.400 0.412 0.000 0.809 466 E CB -0.033 29.909 29.700 0.402 0.000 0.756 466 E HN 0.389 nan 8.360 nan 0.000 0.459 467 Y N 0.836 121.215 120.300 0.131 0.000 2.165 467 Y HA -0.195 4.266 4.550 -0.148 0.000 0.286 467 Y C 2.410 178.403 175.900 0.155 0.000 1.155 467 Y CA 0.750 58.834 58.100 -0.026 0.000 1.164 467 Y CB -1.189 36.971 38.460 -0.499 0.000 0.978 467 Y HN 0.044 nan 8.280 nan 0.000 0.513 468 A N -0.510 122.616 122.820 0.509 0.000 1.877 468 A HA -0.261 3.970 4.320 -0.150 0.000 0.216 468 A C 2.188 179.922 177.584 0.250 0.000 1.186 468 A CA 1.716 54.055 52.037 0.504 0.000 0.620 468 A CB -1.440 17.938 19.000 0.630 0.000 0.822 468 A HN 0.509 nan 8.150 nan 0.000 0.443 469 Y N 1.468 121.837 120.300 0.114 0.000 2.181 469 Y HA -0.200 4.273 4.550 -0.128 0.000 0.288 469 Y C 1.742 177.614 175.900 -0.047 0.000 1.146 469 Y CA 1.860 59.867 58.100 -0.154 0.000 1.164 469 Y CB -0.376 38.196 38.460 0.186 0.000 0.982 469 Y HN 0.359 nan 8.280 nan 0.000 0.515 470 D N 0.294 120.543 120.400 -0.252 0.000 2.149 470 D HA -0.190 4.361 4.640 -0.150 0.000 0.198 470 D C 1.666 177.821 176.300 -0.242 0.000 0.990 470 D CA 1.686 55.473 54.000 -0.356 0.000 0.839 470 D CB -0.347 40.367 40.800 -0.143 0.000 0.948 470 D HN 0.477 nan 8.370 nan 0.000 0.460 471 D N -0.584 119.800 120.400 -0.027 0.000 2.183 471 D HA -0.111 4.439 4.640 -0.150 0.000 0.203 471 D C 1.859 178.176 176.300 0.028 0.000 0.969 471 D CA 0.316 54.382 54.000 0.110 0.000 0.842 471 D CB -0.367 40.640 40.800 0.345 0.000 0.957 471 D HN 0.353 nan 8.370 nan 0.000 0.484 472 W N 1.348 122.484 121.300 -0.273 0.000 2.358 472 W HA -0.257 4.315 4.660 -0.146 0.000 0.303 472 W C 2.215 178.579 176.519 -0.258 0.000 1.208 472 W CA 1.158 58.296 57.345 -0.346 0.000 1.274 472 W CB -0.393 28.716 29.460 -0.585 0.000 1.138 472 W HN -0.052 nan 8.180 nan 0.000 0.515 473 C N 0.411 119.477 119.300 -0.390 0.000 2.413 473 C HA -0.215 4.155 4.460 -0.150 0.000 0.276 473 C C 2.693 177.331 174.990 -0.586 0.000 1.236 473 C CA 1.308 59.966 59.018 -0.599 0.000 1.735 473 C CB -1.513 25.911 27.740 -0.527 0.000 2.031 473 C HN 0.376 nan 8.230 nan 0.000 0.474 474 I N -0.123 120.145 120.570 -0.502 0.000 2.226 474 I HA -0.243 3.837 4.170 -0.150 0.000 0.245 474 I C 2.502 178.320 176.117 -0.498 0.000 1.100 474 I CA 1.860 62.809 61.300 -0.585 0.000 1.374 474 I CB -0.633 36.836 38.000 -0.886 0.000 1.057 474 I HN 0.427 nan 8.210 nan 0.000 0.413 475 Y N 2.033 122.048 120.300 -0.475 0.000 2.151 475 Y HA -0.275 4.184 4.550 -0.151 0.000 0.284 475 Y C 2.693 178.346 175.900 -0.411 0.000 1.166 475 Y CA 1.543 59.455 58.100 -0.314 0.000 1.163 475 Y CB -0.204 38.095 38.460 -0.268 0.000 0.974 475 Y HN -0.040 nan 8.280 nan 0.000 0.511 476 R N 0.051 120.096 120.500 -0.758 0.000 2.081 476 R HA -0.154 4.096 4.340 -0.150 0.000 0.235 476 R C 2.240 178.189 176.300 -0.584 0.000 1.131 476 R CA 1.525 57.140 56.100 -0.809 0.000 0.960 476 R CB -1.122 28.622 30.300 -0.927 0.000 0.856 476 R HN 0.449 nan 8.270 nan 0.000 0.436 477 L N 0.755 121.676 121.223 -0.503 0.000 2.072 477 L HA 0.009 4.260 4.340 -0.150 0.000 0.205 477 L C 2.256 178.894 176.870 -0.386 0.000 1.079 477 L CA 1.841 56.429 54.840 -0.420 0.000 0.752 477 L CB -0.734 41.082 42.059 -0.405 0.000 0.906 477 L HN 0.116 nan 8.230 nan 0.000 0.436 478 A N -0.379 122.241 122.820 -0.333 0.000 1.908 478 A HA -0.299 3.931 4.320 -0.150 0.000 0.218 478 A C 2.450 179.842 177.584 -0.321 0.000 1.181 478 A CA 2.154 54.020 52.037 -0.285 0.000 0.627 478 A CB -0.644 18.292 19.000 -0.106 0.000 0.818 478 A HN 0.510 nan 8.150 nan 0.000 0.445 479 K N -0.368 119.781 120.400 -0.418 0.000 2.026 479 K HA -0.218 4.012 4.320 -0.150 0.000 0.208 479 K C 2.049 178.489 176.600 -0.266 0.000 1.048 479 K CA 1.768 57.833 56.287 -0.371 0.000 0.929 479 K CB -0.166 31.992 32.500 -0.571 0.000 0.713 479 K HN 0.416 nan 8.250 nan 0.000 0.439 480 E N 0.336 120.368 120.200 -0.280 0.000 2.118 480 E HA -0.172 4.088 4.350 -0.150 0.000 0.195 480 E C 1.435 177.935 176.600 -0.167 0.000 0.992 480 E CA 1.138 57.427 56.400 -0.185 0.000 0.804 480 E CB -0.091 29.516 29.700 -0.155 0.000 0.741 480 E HN 0.231 nan 8.360 nan 0.000 0.458 481 L N 0.456 121.531 121.223 -0.247 0.000 2.599 481 L HA 0.173 4.424 4.340 -0.150 0.000 0.230 481 L C 0.282 177.021 176.870 -0.218 0.000 1.141 481 L CA 0.703 55.389 54.840 -0.257 0.000 0.877 481 L CB -0.588 41.218 42.059 -0.422 0.000 1.009 481 L HN 0.084 nan 8.230 nan 0.000 0.447 482 K N -0.221 120.066 120.400 -0.188 0.000 3.096 482 K HA -0.203 4.027 4.320 -0.150 0.000 0.266 482 K C 0.105 176.617 176.600 -0.147 0.000 1.043 482 K CA 0.294 56.497 56.287 -0.140 0.000 0.758 482 K CB -0.950 31.491 32.500 -0.100 0.000 1.260 482 K HN 0.091 nan 8.250 nan 0.000 0.481 483 R N -0.214 120.169 120.500 -0.194 0.000 2.905 483 R HA 0.074 4.324 4.340 -0.150 0.000 0.273 483 R C -1.982 174.275 176.300 -0.073 0.000 1.033 483 R CA -1.607 54.394 56.100 -0.166 0.000 1.182 483 R CB -0.676 29.509 30.300 -0.192 0.000 1.097 483 R HN 0.016 nan 8.270 nan 0.000 0.504 484 P HA 0.037 nan 4.420 nan 0.000 0.266 484 P C 0.292 177.604 177.300 0.019 0.000 1.195 484 P CA 0.116 63.212 63.100 -0.006 0.000 0.768 484 P CB 0.431 32.136 31.700 0.008 0.000 0.838 485 K N 2.581 122.993 120.400 0.021 0.000 2.152 485 K HA -0.221 4.009 4.320 -0.150 0.000 0.206 485 K C 1.741 178.377 176.600 0.060 0.000 1.048 485 K CA 1.705 58.017 56.287 0.041 0.000 0.933 485 K CB -0.134 32.386 32.500 0.034 0.000 0.721 485 K HN 0.539 nan 8.250 nan 0.000 0.447 486 K N 1.373 121.801 120.400 0.046 0.000 2.217 486 K HA -0.108 4.122 4.320 -0.150 0.000 0.202 486 K C 1.548 178.184 176.600 0.060 0.000 1.051 486 K CA 1.207 57.520 56.287 0.043 0.000 0.952 486 K CB 0.109 32.623 32.500 0.022 0.000 0.736 486 K HN 0.108 nan 8.250 nan 0.000 0.453 487 E N 1.078 121.334 120.200 0.094 0.000 2.028 487 E HA -0.132 4.128 4.350 -0.150 0.000 0.191 487 E C 2.063 178.823 176.600 0.267 0.000 0.988 487 E CA 1.502 58.009 56.400 0.179 0.000 0.799 487 E CB -0.140 29.694 29.700 0.223 0.000 0.755 487 E HN 0.338 nan 8.360 nan 0.000 0.447 488 I N 0.917 121.611 120.570 0.206 0.000 2.194 488 I HA -0.304 3.776 4.170 -0.150 0.000 0.246 488 I C 2.430 178.743 176.117 0.327 0.000 1.093 488 I CA 0.938 62.386 61.300 0.246 0.000 1.355 488 I CB -0.249 37.830 38.000 0.131 0.000 1.046 488 I HN 0.017 nan 8.210 nan 0.000 0.413 489 S N 0.599 116.421 115.700 0.204 0.000 2.383 489 S HA -0.134 4.247 4.470 -0.150 0.000 0.227 489 S C 1.873 176.533 174.600 0.102 0.000 1.026 489 S CA 0.965 59.263 58.200 0.162 0.000 0.981 489 S CB -0.300 62.956 63.200 0.093 0.000 0.818 489 S HN 0.290 nan 8.310 nan 0.000 0.472 490 L N 0.788 122.021 121.223 0.016 0.000 2.046 490 L HA 0.005 4.255 4.340 -0.150 0.000 0.208 490 L C 1.658 178.393 176.870 -0.225 0.000 1.077 490 L CA 1.867 56.599 54.840 -0.180 0.000 0.747 490 L CB -0.683 41.146 42.059 -0.383 0.000 0.896 490 L HN 0.230 nan 8.230 nan 0.000 0.432 491 F N -0.639 119.382 119.950 0.119 0.000 2.293 491 F HA 0.079 4.516 4.527 -0.151 0.000 0.297 491 F C 2.451 178.315 175.800 0.106 0.000 1.089 491 F CA 0.819 58.888 58.000 0.115 0.000 1.377 491 F CB -1.146 37.915 39.000 0.101 0.000 1.051 491 F HN 0.140 nan 8.300 nan 0.000 0.511 492 A N 0.303 123.293 122.820 0.284 0.000 1.908 492 A HA -0.242 3.988 4.320 -0.150 0.000 0.218 492 A C 2.347 180.076 177.584 0.242 0.000 1.181 492 A CA 1.927 54.055 52.037 0.150 0.000 0.627 492 A CB -0.691 18.456 19.000 0.245 0.000 0.818 492 A HN 0.326 nan 8.150 nan 0.000 0.445 493 K N -0.327 120.164 120.400 0.153 0.000 2.025 493 K HA -0.130 4.100 4.320 -0.150 0.000 0.207 493 K C 2.203 178.863 176.600 0.101 0.000 1.049 493 K CA 1.320 57.667 56.287 0.100 0.000 0.933 493 K CB -0.249 32.266 32.500 0.026 0.000 0.714 493 K HN 0.440 nan 8.250 nan 0.000 0.438 494 R N 0.109 120.660 120.500 0.085 0.000 2.120 494 R HA -0.064 4.186 4.340 -0.150 0.000 0.234 494 R C 2.298 178.754 176.300 0.260 0.000 1.123 494 R CA 0.995 57.167 56.100 0.121 0.000 0.975 494 R CB -0.330 30.056 30.300 0.143 0.000 0.866 494 R HN 0.266 nan 8.270 nan 0.000 0.446 495 A N 0.613 123.600 122.820 0.278 0.000 2.131 495 A HA -0.114 4.116 4.320 -0.150 0.000 0.220 495 A C 1.735 179.669 177.584 0.584 0.000 1.158 495 A CA 1.164 53.422 52.037 0.368 0.000 0.665 495 A CB -0.103 18.995 19.000 0.164 0.000 0.795 495 A HN 0.113 nan 8.150 nan 0.000 0.460 496 M N -0.050 119.770 119.600 0.366 0.000 2.431 496 M HA 0.122 4.513 4.480 -0.150 0.000 0.237 496 M C 0.722 176.962 176.300 -0.099 0.000 1.130 496 M CA 0.077 55.456 55.300 0.132 0.000 1.002 496 M CB -0.976 31.658 32.600 0.056 0.000 1.524 496 M HN 0.272 nan 8.290 nan 0.000 0.482 497 N N 0.598 119.373 118.700 0.124 0.000 2.443 497 N HA -0.166 4.484 4.740 -0.150 0.000 0.184 497 N C 1.487 177.080 175.510 0.139 0.000 1.037 497 N CA 0.912 54.020 53.050 0.096 0.000 0.896 497 N CB -0.367 38.205 38.487 0.141 0.000 0.959 497 N HN 0.605 nan 8.380 nan 0.000 0.442 498 Y N 0.513 120.960 120.300 0.245 0.000 2.274 498 Y HA -0.012 4.453 4.550 -0.142 0.000 0.290 498 Y C 1.720 177.709 175.900 0.149 0.000 1.145 498 Y CA 0.963 59.189 58.100 0.210 0.000 1.203 498 Y CB -0.574 38.008 38.460 0.203 0.000 0.984 498 Y HN -0.123 nan 8.280 nan 0.000 0.533 499 K N 0.550 120.635 120.400 -0.524 0.000 2.281 499 K HA -0.145 4.085 4.320 -0.150 0.000 0.203 499 K C 1.271 177.861 176.600 -0.016 0.000 1.046 499 K CA 1.245 57.377 56.287 -0.260 0.000 0.938 499 K CB -0.285 31.990 32.500 -0.375 0.000 0.737 499 K HN 0.402 nan 8.250 nan 0.000 0.458 500 N N 0.687 119.374 118.700 -0.021 0.000 2.512 500 N HA -0.056 4.594 4.740 -0.150 0.000 0.183 500 N C 1.097 176.553 175.510 -0.090 0.000 1.073 500 N CA 0.851 53.869 53.050 -0.054 0.000 0.911 500 N CB 0.204 38.684 38.487 -0.012 0.000 0.964 500 N HN 0.231 nan 8.380 nan 0.000 0.447 501 L N -0.823 120.448 121.223 0.080 0.000 2.808 501 L HA 0.274 4.524 4.340 -0.150 0.000 0.246 501 L C -0.042 176.951 176.870 0.205 0.000 1.153 501 L CA -0.369 54.560 54.840 0.149 0.000 0.956 501 L CB 0.088 42.212 42.059 0.108 0.000 1.270 501 L HN -0.072 nan 8.230 nan 0.000 0.528 502 F N 2.221 122.214 119.950 0.071 0.000 2.472 502 F HA 0.157 4.591 4.527 -0.154 0.000 0.364 502 F C 0.479 176.174 175.800 -0.175 0.000 1.090 502 F CA -0.757 57.211 58.000 -0.054 0.000 1.188 502 F CB 0.479 39.468 39.000 -0.019 0.000 1.105 502 F HN -0.079 nan 8.300 nan 0.000 0.536 503 D N 6.009 125.672 120.400 -1.227 0.000 2.428 503 D HA 0.153 4.703 4.640 -0.150 0.000 0.221 503 D C 0.838 176.488 176.300 -1.082 0.000 1.123 503 D CA -0.173 53.090 54.000 -1.229 0.000 0.869 503 D CB 0.904 40.830 40.800 -1.456 0.000 1.032 503 D HN 0.616 nan 8.370 nan 0.000 0.506 504 K N 2.220 122.276 120.400 -0.572 0.000 2.113 504 K HA -0.220 4.011 4.320 -0.150 0.000 0.208 504 K C 1.521 177.982 176.600 -0.231 0.000 1.047 504 K CA 1.194 57.346 56.287 -0.226 0.000 0.928 504 K CB 0.213 32.715 32.500 0.003 0.000 0.716 504 K HN 0.563 nan 8.250 nan 0.000 0.446 505 E N 0.417 120.451 120.200 -0.277 0.000 2.051 505 E HA -0.165 4.095 4.350 -0.150 0.000 0.192 505 E C 1.700 178.181 176.600 -0.198 0.000 0.991 505 E CA 1.710 57.995 56.400 -0.193 0.000 0.799 505 E CB 0.137 29.729 29.700 -0.180 0.000 0.748 505 E HN 0.323 nan 8.360 nan 0.000 0.449 506 S N -0.605 114.910 115.700 -0.309 0.000 2.503 506 S HA 0.113 4.494 4.470 -0.150 0.000 0.217 506 S C 0.573 174.981 174.600 -0.321 0.000 0.999 506 S CA 0.226 58.278 58.200 -0.247 0.000 0.914 506 S CB 0.144 63.240 63.200 -0.174 0.000 0.782 506 S HN 0.265 nan 8.310 nan 0.000 0.520 507 K N 0.377 120.498 120.400 -0.464 0.000 3.192 507 K HA -0.112 4.118 4.320 -0.150 0.000 0.278 507 K C -0.904 175.397 176.600 -0.500 0.000 1.164 507 K CA 0.547 56.604 56.287 -0.382 0.000 0.816 507 K CB -2.109 30.366 32.500 -0.041 0.000 1.256 507 K HN 0.464 nan 8.250 nan 0.000 0.497 508 L N 0.026 120.794 121.223 -0.757 0.000 2.327 508 L HA 0.527 4.777 4.340 -0.150 0.000 0.258 508 L C 0.299 176.810 176.870 -0.598 0.000 1.024 508 L CA -1.437 53.016 54.840 -0.645 0.000 0.825 508 L CB 1.409 43.086 42.059 -0.637 0.000 1.386 508 L HN -0.085 nan 8.230 nan 0.000 0.417 509 M N 1.778 121.174 119.600 -0.341 0.000 2.238 509 M HA 0.308 4.698 4.480 -0.150 0.000 0.347 509 M C -0.313 175.906 176.300 -0.135 0.000 1.173 509 M CA 0.485 55.703 55.300 -0.137 0.000 1.147 509 M CB 0.448 33.102 32.600 0.091 0.000 1.547 509 M HN 0.488 nan 8.290 nan 0.000 0.455 510 R N 0.277 120.652 120.500 -0.208 0.000 2.584 510 R HA 0.514 4.764 4.340 -0.150 0.000 0.276 510 R C -0.267 175.951 176.300 -0.136 0.000 1.046 510 R CA -0.450 55.413 56.100 -0.395 0.000 0.906 510 R CB 1.547 31.157 30.300 -1.150 0.000 1.215 510 R HN 0.918 nan 8.270 nan 0.000 0.449 511 G N 2.852 111.526 108.800 -0.211 0.000 2.321 511 G HA2 0.019 3.889 3.960 -0.150 0.000 0.237 511 G HA3 0.019 3.889 3.960 -0.150 0.000 0.237 511 G C -0.625 174.192 174.900 -0.138 0.000 1.282 511 G CA -0.071 44.919 45.100 -0.184 0.000 0.886 511 G HN 0.553 nan 8.290 nan 0.000 0.528 512 R N 1.922 122.358 120.500 -0.106 0.000 2.513 512 R HA 0.192 4.442 4.340 -0.150 0.000 0.301 512 R C -0.274 176.011 176.300 -0.026 0.000 0.968 512 R CA -0.884 55.049 56.100 -0.277 0.000 0.872 512 R CB 0.800 30.617 30.300 -0.804 0.000 1.177 512 R HN 0.575 nan 8.270 nan 0.000 0.444 513 N N 2.024 120.696 118.700 -0.047 0.000 2.415 513 N HA -0.091 4.560 4.740 -0.150 0.000 0.248 513 N C 0.726 176.295 175.510 0.099 0.000 1.271 513 N CA 0.139 53.218 53.050 0.048 0.000 0.913 513 N CB 0.859 39.349 38.487 0.006 0.000 1.129 513 N HN 0.721 nan 8.380 nan 0.000 0.444 514 E N 0.599 120.820 120.200 0.035 0.000 2.118 514 E HA -0.251 4.009 4.350 -0.150 0.000 0.195 514 E C 0.460 177.076 176.600 0.027 0.000 0.992 514 E CA 1.460 57.852 56.400 -0.013 0.000 0.804 514 E CB 0.047 29.695 29.700 -0.087 0.000 0.741 514 E HN 0.621 nan 8.360 nan 0.000 0.458 515 D N -1.363 119.044 120.400 0.012 0.000 2.350 515 D HA -0.053 4.497 4.640 -0.150 0.000 0.216 515 D C 1.346 177.644 176.300 -0.004 0.000 0.968 515 D CA 1.208 55.209 54.000 0.002 0.000 0.894 515 D CB 0.096 40.890 40.800 -0.009 0.000 0.909 515 D HN 0.385 nan 8.370 nan 0.000 0.520 516 G N -0.573 108.228 108.800 0.000 0.000 2.238 516 G HA2 -0.230 3.640 3.960 -0.150 0.000 0.217 516 G HA3 -0.230 3.640 3.960 -0.150 0.000 0.217 516 G C 0.485 175.231 174.900 -0.256 0.000 0.996 516 G CA 0.244 45.292 45.100 -0.087 0.000 0.632 516 G HN 0.801 nan 8.290 nan 0.000 0.503 517 T N -0.202 114.243 114.554 -0.181 0.000 2.907 517 T HA 0.618 4.878 4.350 -0.150 0.000 0.298 517 T C 0.332 174.872 174.700 -0.265 0.000 1.017 517 T CA -0.500 61.487 62.100 -0.189 0.000 1.118 517 T CB 1.340 70.159 68.868 -0.081 0.000 0.948 517 T HN 0.262 nan 8.240 nan 0.000 0.531 518 F N 2.471 122.308 119.950 -0.189 0.000 2.506 518 F HA 0.274 4.711 4.527 -0.151 0.000 0.351 518 F C 1.160 176.808 175.800 -0.252 0.000 1.136 518 F CA -0.427 57.412 58.000 -0.268 0.000 1.298 518 F CB 0.628 39.434 39.000 -0.324 0.000 1.145 518 F HN 0.692 nan 8.300 nan 0.000 0.593 519 Q N 1.141 120.865 119.800 -0.126 0.000 2.364 519 Q HA 0.463 4.713 4.340 -0.150 0.000 0.267 519 Q C -0.974 174.936 176.000 -0.151 0.000 0.999 519 Q CA -0.166 55.487 55.803 -0.250 0.000 0.886 519 Q CB 0.950 29.228 28.738 -0.768 0.000 1.243 519 Q HN 0.471 nan 8.270 nan 0.000 0.415 520 S N 2.348 118.003 115.700 -0.074 0.000 2.548 520 S HA 0.670 5.051 4.470 -0.150 0.000 0.286 520 S C -2.386 172.221 174.600 0.012 0.000 1.098 520 S CA -1.218 56.975 58.200 -0.011 0.000 0.930 520 S CB 1.203 64.404 63.200 0.002 0.000 1.070 520 S HN 0.800 nan 8.310 nan 0.000 0.480 521 P HA 0.338 nan 4.420 nan 0.000 0.275 521 P C -1.140 176.208 177.300 0.080 0.000 1.227 521 P CA -0.384 62.741 63.100 0.042 0.000 0.781 521 P CB 0.259 31.976 31.700 0.028 0.000 0.906 522 F N 2.095 121.988 119.950 -0.094 0.000 2.438 522 F HA 0.350 4.785 4.527 -0.154 0.000 0.356 522 F C 0.235 175.993 175.800 -0.070 0.000 1.099 522 F CA -0.771 57.158 58.000 -0.118 0.000 1.185 522 F CB 0.840 39.738 39.000 -0.171 0.000 1.115 522 F HN 0.261 nan 8.300 nan 0.000 0.526 523 S N 8.442 123.844 115.700 -0.496 0.000 2.653 523 S HA 0.423 4.803 4.470 -0.150 0.000 0.272 523 S C -1.921 172.296 174.600 -0.638 0.000 1.221 523 S CA -1.398 56.508 58.200 -0.489 0.000 1.149 523 S CB 0.796 63.919 63.200 -0.128 0.000 1.029 523 S HN 0.465 nan 8.310 nan 0.000 0.481 524 P HA -0.031 nan 4.420 nan 0.000 0.219 524 P C 0.834 178.055 177.300 -0.131 0.000 1.146 524 P CA 0.958 63.701 63.100 -0.596 0.000 0.808 524 P CB 0.085 31.545 31.700 -0.400 0.000 0.779 525 L N -1.643 119.568 121.223 -0.021 0.000 2.607 525 L HA 0.150 4.400 4.340 -0.150 0.000 0.228 525 L C 1.247 178.274 176.870 0.263 0.000 1.123 525 L CA -0.159 54.765 54.840 0.140 0.000 0.890 525 L CB -0.281 41.861 42.059 0.138 0.000 1.103 525 L HN -0.128 nan 8.230 nan 0.000 0.468 526 K N 0.711 121.215 120.400 0.173 0.000 2.349 526 K HA 0.033 4.263 4.320 -0.150 0.000 0.288 526 K C -0.965 175.860 176.600 0.376 0.000 1.058 526 K CA -0.510 55.952 56.287 0.291 0.000 0.953 526 K CB 0.442 33.056 32.500 0.191 0.000 0.997 526 K HN -0.092 nan 8.250 nan 0.000 0.477 527 W N 3.399 124.851 121.300 0.253 0.000 2.251 527 W HA 0.346 4.923 4.660 -0.139 0.000 0.329 527 W C 1.030 177.688 176.519 0.232 0.000 1.234 527 W CA 1.229 58.769 57.345 0.324 0.000 1.228 527 W CB 0.662 30.381 29.460 0.432 0.000 1.135 527 W HN 0.993 nan 8.180 nan 0.000 0.576 528 G N 1.892 110.906 108.800 0.357 0.000 2.562 528 G HA2 -0.240 3.630 3.960 -0.150 0.000 0.250 528 G HA3 -0.240 3.630 3.960 -0.150 0.000 0.250 528 G C 0.381 174.959 174.900 -0.536 0.000 1.269 528 G CA 0.878 45.866 45.100 -0.187 0.000 0.919 528 G HN 0.792 nan 8.290 nan 0.000 0.574 529 D N -2.809 116.689 120.400 -1.504 0.000 4.566 529 D HA -0.178 4.372 4.640 -0.150 0.000 0.168 529 D C 2.150 178.155 176.300 -0.492 0.000 0.658 529 D CA 4.145 57.605 54.000 -0.899 0.000 1.285 529 D CB -1.570 39.047 40.800 -0.305 0.000 0.770 529 D HN 1.851 nan 8.370 nan 0.000 0.517 530 A N -0.432 122.209 122.820 -0.299 0.000 1.968 530 A HA 0.257 4.487 4.320 -0.150 0.000 0.217 530 A C 1.173 178.294 177.584 -0.773 0.000 1.169 530 A CA 1.347 53.091 52.037 -0.488 0.000 0.638 530 A CB -0.296 18.370 19.000 -0.556 0.000 0.812 530 A HN 0.249 nan 8.150 nan 0.000 0.446 531 F N -1.381 118.464 119.950 -0.176 0.000 2.572 531 F HA 0.545 4.982 4.527 -0.150 0.000 0.342 531 F C 0.412 176.143 175.800 -0.115 0.000 1.064 531 F CA -0.690 57.179 58.000 -0.218 0.000 1.008 531 F CB 1.186 40.131 39.000 -0.092 0.000 1.303 531 F HN -0.317 nan 8.300 nan 0.000 0.492 532 T N 1.029 115.729 114.554 0.243 0.000 2.792 532 T HA 0.266 4.526 4.350 -0.150 0.000 0.280 532 T C -0.549 174.428 174.700 0.461 0.000 0.990 532 T CA -0.622 61.652 62.100 0.291 0.000 0.960 532 T CB 1.032 70.061 68.868 0.269 0.000 0.939 532 T HN 0.557 nan 8.240 nan 0.000 0.439 533 E N 0.768 121.173 120.200 0.343 0.000 2.440 533 E HA -0.196 4.064 4.350 -0.150 0.000 0.246 533 E C 0.367 177.052 176.600 0.141 0.000 1.165 533 E CA 1.198 57.783 56.400 0.307 0.000 0.726 533 E CB -1.453 28.418 29.700 0.285 0.000 1.271 533 E HN 1.111 nan 8.360 nan 0.000 0.397 534 G N -0.240 108.570 108.800 0.016 0.000 2.317 534 G HA2 0.328 4.198 3.960 -0.150 0.000 0.293 534 G HA3 0.328 4.198 3.960 -0.150 0.000 0.293 534 G C -0.866 173.780 174.900 -0.423 0.000 1.287 534 G CA -0.167 44.545 45.100 -0.647 0.000 0.850 534 G HN 0.158 nan 8.290 nan 0.000 0.515 535 N N -1.663 116.676 118.700 -0.601 0.000 2.989 535 N HA 0.622 5.272 4.740 -0.150 0.000 0.338 535 N C 1.311 176.329 175.510 -0.820 0.000 1.369 535 N CA 0.349 53.077 53.050 -0.536 0.000 0.794 535 N CB 0.985 39.187 38.487 -0.474 0.000 1.359 535 N HN 0.607 nan 8.380 nan 0.000 0.609 536 S N -1.432 113.737 115.700 -0.886 0.000 2.368 536 S HA -0.066 4.314 4.470 -0.150 0.000 0.224 536 S C 1.076 175.229 174.600 -0.745 0.000 1.029 536 S CA 0.859 58.414 58.200 -1.075 0.000 0.988 536 S CB -0.633 62.240 63.200 -0.544 0.000 0.838 536 S HN 0.542 nan 8.310 nan 0.000 0.462 537 W N 1.136 122.087 121.300 -0.581 0.000 2.364 537 W HA -0.061 4.502 4.660 -0.162 0.000 0.281 537 W C 2.204 178.530 176.519 -0.321 0.000 1.219 537 W CA 1.354 58.432 57.345 -0.444 0.000 1.220 537 W CB -0.393 28.832 29.460 -0.391 0.000 1.127 537 W HN 0.591 nan 8.180 nan 0.000 0.556 538 H N -3.783 115.221 119.070 -0.109 0.000 2.384 538 H HA -0.049 4.425 4.556 -0.138 0.000 0.300 538 H C 1.374 176.616 175.328 -0.145 0.000 1.057 538 H CA 1.292 57.269 56.048 -0.118 0.000 1.370 538 H CB -0.394 29.196 29.762 -0.286 0.000 1.417 538 H HN 0.093 nan 8.280 nan 0.000 0.527 539 Y N 0.545 120.704 120.300 -0.236 0.000 2.517 539 Y HA -0.067 4.442 4.550 -0.069 0.000 0.281 539 Y C 2.171 177.930 175.900 -0.235 0.000 1.125 539 Y CA 0.474 58.484 58.100 -0.151 0.000 1.283 539 Y CB 0.438 38.836 38.460 -0.104 0.000 1.042 539 Y HN 0.113 nan 8.280 nan 0.000 0.547 540 T N -0.799 113.506 114.554 -0.414 0.000 2.849 540 T HA -0.230 4.031 4.350 -0.150 0.000 0.270 540 T C 0.893 175.265 174.700 -0.546 0.000 1.066 540 T CA 1.637 63.395 62.100 -0.571 0.000 1.130 540 T CB -0.412 67.881 68.868 -0.958 0.000 0.864 540 T HN 0.502 nan 8.240 nan 0.000 0.481 541 W N 1.307 122.545 121.300 -0.104 0.000 3.180 541 W HA 0.236 4.790 4.660 -0.176 0.000 0.254 541 W C 1.187 177.611 176.519 -0.158 0.000 1.318 541 W CA -0.513 56.750 57.345 -0.136 0.000 1.608 541 W CB -0.285 29.031 29.460 -0.241 0.000 1.124 541 W HN -0.048 nan 8.180 nan 0.000 0.694 542 S N 1.297 116.957 115.700 -0.066 0.000 4.085 542 S HA 0.177 4.558 4.470 -0.150 0.000 0.189 542 S C 0.255 174.571 174.600 -0.472 0.000 1.392 542 S CA 0.095 58.047 58.200 -0.414 0.000 0.972 542 S CB -0.489 62.724 63.200 0.022 0.000 1.482 542 S HN -0.041 nan 8.310 nan 0.000 0.446 543 V N 2.620 122.177 119.914 -0.594 0.000 2.572 543 V HA 0.207 4.237 4.120 -0.150 0.000 0.274 543 V C 0.427 176.203 176.094 -0.529 0.000 1.075 543 V CA -0.466 61.515 62.300 -0.531 0.000 1.237 543 V CB -0.759 30.631 31.823 -0.722 0.000 1.517 543 V HN 0.604 nan 8.190 nan 0.000 0.616 544 F N 0.561 120.357 119.950 -0.258 0.000 2.154 544 F HA -0.204 4.185 4.527 -0.231 0.000 0.301 544 F C 2.554 178.178 175.800 -0.294 0.000 1.087 544 F CA 2.049 59.830 58.000 -0.366 0.000 1.274 544 F CB -0.626 37.986 39.000 -0.646 0.000 1.009 544 F HN 0.620 nan 8.300 nan 0.000 0.485 545 H N -1.947 116.991 119.070 -0.220 0.000 2.548 545 H HA 0.107 4.569 4.556 -0.156 0.000 0.268 545 H C -0.111 175.048 175.328 -0.281 0.000 0.975 545 H CA 1.111 56.856 56.048 -0.504 0.000 1.195 545 H CB -0.279 28.833 29.762 -1.083 0.000 1.397 545 H HN 0.220 nan 8.280 nan 0.000 0.572 546 D N 0.423 120.402 120.400 -0.701 0.000 2.849 546 D HA 0.226 4.776 4.640 -0.150 0.000 0.314 546 D C -2.062 173.949 176.300 -0.482 0.000 1.210 546 D CA -1.937 51.752 54.000 -0.518 0.000 0.756 546 D CB 0.941 41.454 40.800 -0.478 0.000 1.222 546 D HN 0.023 nan 8.370 nan 0.000 0.521 547 P HA -0.141 nan 4.420 nan 0.000 0.218 547 P C 1.367 178.431 177.300 -0.393 0.000 1.149 547 P CA 0.885 63.691 63.100 -0.490 0.000 0.817 547 P CB 0.478 31.655 31.700 -0.872 0.000 0.785 548 Q N 0.174 119.816 119.800 -0.263 0.000 2.124 548 Q HA -0.079 4.171 4.340 -0.150 0.000 0.202 548 Q C 2.160 178.043 176.000 -0.196 0.000 0.977 548 Q CA 2.239 57.917 55.803 -0.210 0.000 0.850 548 Q CB -1.564 27.094 28.738 -0.134 0.000 0.901 548 Q HN 0.171 nan 8.270 nan 0.000 0.429 549 G N 0.506 109.206 108.800 -0.166 0.000 2.418 549 G HA2 -0.236 3.634 3.960 -0.150 0.000 0.217 549 G HA3 -0.236 3.634 3.960 -0.150 0.000 0.217 549 G C 1.308 176.156 174.900 -0.087 0.000 1.158 549 G CA 0.911 45.974 45.100 -0.063 0.000 0.771 549 G HN 0.416 nan 8.290 nan 0.000 0.545 550 L N 0.659 121.774 121.223 -0.181 0.000 2.093 550 L HA 0.153 4.403 4.340 -0.150 0.000 0.208 550 L C 2.644 179.438 176.870 -0.127 0.000 1.085 550 L CA 1.176 55.921 54.840 -0.158 0.000 0.755 550 L CB -0.404 41.589 42.059 -0.109 0.000 0.904 550 L HN 0.253 nan 8.230 nan 0.000 0.435 551 I N -0.361 120.054 120.570 -0.259 0.000 2.179 551 I HA -0.310 3.771 4.170 -0.150 0.000 0.242 551 I C 2.038 178.092 176.117 -0.105 0.000 1.088 551 I CA 1.420 62.561 61.300 -0.265 0.000 1.357 551 I CB -0.491 37.203 38.000 -0.509 0.000 1.051 551 I HN 0.279 nan 8.210 nan 0.000 0.409 552 D N 0.848 121.170 120.400 -0.130 0.000 2.104 552 D HA -0.180 4.370 4.640 -0.150 0.000 0.194 552 D C 2.315 178.540 176.300 -0.126 0.000 0.994 552 D CA 1.286 55.228 54.000 -0.098 0.000 0.830 552 D CB -0.457 40.287 40.800 -0.094 0.000 0.959 552 D HN 0.278 nan 8.370 nan 0.000 0.452 553 L N 0.015 121.093 121.223 -0.241 0.000 2.081 553 L HA -0.157 4.094 4.340 -0.150 0.000 0.212 553 L C 2.418 179.076 176.870 -0.353 0.000 1.080 553 L CA 0.982 55.532 54.840 -0.485 0.000 0.754 553 L CB -0.309 41.113 42.059 -1.062 0.000 0.893 553 L HN 0.065 nan 8.230 nan 0.000 0.433 554 M N -1.112 118.393 119.600 -0.159 0.000 2.659 554 M HA 0.063 4.453 4.480 -0.150 0.000 0.243 554 M C 1.243 177.616 176.300 0.123 0.000 1.111 554 M CA 0.925 56.297 55.300 0.119 0.000 1.070 554 M CB 0.098 32.838 32.600 0.235 0.000 1.525 554 M HN 0.471 nan 8.290 nan 0.000 0.517 555 G N 0.809 109.644 108.800 0.059 0.000 2.134 555 G HA2 -0.010 3.861 3.960 -0.150 0.000 0.209 555 G HA3 -0.010 3.861 3.960 -0.150 0.000 0.209 555 G C 0.305 175.243 174.900 0.064 0.000 0.993 555 G CA -0.139 44.998 45.100 0.061 0.000 0.669 555 G HN 0.911 nan 8.290 nan 0.000 0.519 556 G N -0.732 108.104 108.800 0.062 0.000 2.440 556 G HA2 0.376 4.246 3.960 -0.150 0.000 0.684 556 G HA3 0.376 4.246 3.960 -0.150 0.000 0.684 556 G C 0.638 175.603 174.900 0.108 0.000 1.309 556 G CA 0.434 45.568 45.100 0.056 0.000 0.931 556 G HN 1.339 nan 8.290 nan 0.000 0.612 557 K N -0.193 120.257 120.400 0.083 0.000 2.147 557 K HA -0.084 4.146 4.320 -0.150 0.000 0.205 557 K C 2.008 178.738 176.600 0.217 0.000 1.049 557 K CA 2.105 58.469 56.287 0.128 0.000 0.936 557 K CB -0.111 32.432 32.500 0.072 0.000 0.722 557 K HN 0.743 nan 8.250 nan 0.000 0.446 558 E N 1.428 121.728 120.200 0.167 0.000 2.106 558 E HA -0.163 4.097 4.350 -0.150 0.000 0.192 558 E C 2.096 178.809 176.600 0.187 0.000 0.984 558 E CA 1.097 57.599 56.400 0.169 0.000 0.806 558 E CB -0.222 29.555 29.700 0.129 0.000 0.750 558 E HN 0.343 nan 8.360 nan 0.000 0.458 559 M N -0.236 119.475 119.600 0.185 0.000 2.254 559 M HA 0.020 4.410 4.480 -0.150 0.000 0.265 559 M C 2.032 178.474 176.300 0.238 0.000 1.066 559 M CA 1.084 56.494 55.300 0.184 0.000 1.123 559 M CB -0.236 32.458 32.600 0.155 0.000 1.388 559 M HN 0.166 nan 8.290 nan 0.000 0.425 560 F N 0.911 120.934 119.950 0.121 0.000 2.046 560 F HA -0.237 4.197 4.527 -0.155 0.000 0.297 560 F C 2.128 178.027 175.800 0.165 0.000 1.123 560 F CA 1.704 59.793 58.000 0.149 0.000 1.199 560 F CB -0.278 38.786 39.000 0.106 0.000 0.972 560 F HN -0.226 nan 8.300 nan 0.000 0.474 561 V N -0.078 120.027 119.914 0.319 0.000 2.332 561 V HA -0.364 3.667 4.120 -0.150 0.000 0.248 561 V C 2.305 178.505 176.094 0.177 0.000 1.055 561 V CA 2.430 64.873 62.300 0.239 0.000 1.038 561 V CB -1.155 30.848 31.823 0.301 0.000 0.651 561 V HN 0.477 nan 8.190 nan 0.000 0.450 562 T N -0.327 114.330 114.554 0.172 0.000 2.684 562 T HA -0.205 4.055 4.350 -0.150 0.000 0.267 562 T C 1.963 176.757 174.700 0.157 0.000 1.036 562 T CA 1.644 63.839 62.100 0.157 0.000 1.148 562 T CB -0.279 68.676 68.868 0.146 0.000 0.863 562 T HN 0.207 nan 8.240 nan 0.000 0.436 563 M N 0.503 120.200 119.600 0.161 0.000 2.086 563 M HA 0.007 4.397 4.480 -0.150 0.000 0.261 563 M C 2.400 178.863 176.300 0.272 0.000 1.067 563 M CA 1.568 57.027 55.300 0.264 0.000 1.116 563 M CB -1.069 31.670 32.600 0.232 0.000 1.348 563 M HN 0.321 nan 8.290 nan 0.000 0.407 564 M N -0.098 119.503 119.600 0.002 0.000 2.086 564 M HA -0.232 4.158 4.480 -0.150 0.000 0.261 564 M C 1.581 177.858 176.300 -0.038 0.000 1.067 564 M CA 1.586 56.696 55.300 -0.318 0.000 1.116 564 M CB -0.774 31.354 32.600 -0.787 0.000 1.348 564 M HN 0.172 nan 8.290 nan 0.000 0.407 565 D N 0.349 120.846 120.400 0.163 0.000 2.149 565 D HA -0.133 4.417 4.640 -0.150 0.000 0.198 565 D C 2.118 178.507 176.300 0.148 0.000 0.990 565 D CA 1.879 56.041 54.000 0.269 0.000 0.839 565 D CB -0.317 40.630 40.800 0.245 0.000 0.948 565 D HN 0.407 nan 8.370 nan 0.000 0.460 566 S N -0.178 115.556 115.700 0.056 0.000 2.428 566 S HA -0.088 4.292 4.470 -0.150 0.000 0.230 566 S C 2.180 176.611 174.600 -0.281 0.000 1.014 566 S CA 0.603 58.760 58.200 -0.072 0.000 0.957 566 S CB -0.477 62.688 63.200 -0.058 0.000 0.784 566 S HN 0.085 nan 8.310 nan 0.000 0.499 567 V N 1.023 120.748 119.914 -0.315 0.000 2.324 567 V HA -0.177 3.853 4.120 -0.150 0.000 0.250 567 V C 2.203 177.986 176.094 -0.519 0.000 1.060 567 V CA 2.135 64.137 62.300 -0.496 0.000 1.042 567 V CB -1.103 30.404 31.823 -0.526 0.000 0.650 567 V HN 0.538 nan 8.190 nan 0.000 0.450 568 F N 0.280 120.059 119.950 -0.284 0.000 2.367 568 F HA 0.156 4.592 4.527 -0.151 0.000 0.298 568 F C 2.278 178.001 175.800 -0.128 0.000 1.094 568 F CA 1.005 58.811 58.000 -0.322 0.000 1.409 568 F CB -0.644 37.912 39.000 -0.739 0.000 1.064 568 F HN 0.090 nan 8.300 nan 0.000 0.528 569 A N 0.083 122.935 122.820 0.053 0.000 2.132 569 A HA 0.218 4.448 4.320 -0.150 0.000 0.213 569 A C 0.996 178.574 177.584 -0.011 0.000 1.154 569 A CA 0.529 52.604 52.037 0.064 0.000 0.753 569 A CB -0.936 18.108 19.000 0.072 0.000 0.826 569 A HN 0.069 nan 8.150 nan 0.000 0.469 570 V N -3.194 116.657 119.914 -0.105 0.000 3.036 570 V HA 0.488 4.518 4.120 -0.150 0.000 0.308 570 V C -2.833 173.213 176.094 -0.080 0.000 1.070 570 V CA -2.552 59.669 62.300 -0.133 0.000 1.056 570 V CB 0.255 31.909 31.823 -0.282 0.000 1.084 570 V HN 0.088 nan 8.190 nan 0.000 0.471 571 P HA 0.265 nan 4.420 nan 0.000 0.272 571 P C -2.525 174.770 177.300 -0.008 0.000 1.230 571 P CA -1.401 61.688 63.100 -0.019 0.000 0.788 571 P CB -0.174 31.514 31.700 -0.020 0.000 0.949 572 P HA 0.090 nan 4.420 nan 0.000 0.214 572 P C -0.010 177.403 177.300 0.188 0.000 1.807 572 P CA -0.033 63.140 63.100 0.123 0.000 0.921 572 P CB -0.514 31.271 31.700 0.141 0.000 1.835 573 I N -0.933 119.692 120.570 0.091 0.000 2.823 573 I HA 0.502 4.582 4.170 -0.150 0.000 0.290 573 I C -0.223 175.995 176.117 0.168 0.000 1.091 573 I CA -0.551 60.760 61.300 0.019 0.000 1.365 573 I CB -0.267 37.685 38.000 -0.081 0.000 1.427 573 I HN -0.045 nan 8.210 nan 0.000 0.583 574 F N 1.060 121.054 119.950 0.073 0.000 2.686 574 F HA 0.657 5.096 4.527 -0.146 0.000 0.311 574 F C -1.386 174.476 175.800 0.104 0.000 1.128 574 F CA -1.208 56.878 58.000 0.143 0.000 0.946 574 F CB 1.211 40.226 39.000 0.026 0.000 1.336 574 F HN 0.460 nan 8.300 nan 0.000 0.457 575 D N 1.346 121.984 120.400 0.397 0.000 2.481 575 D HA 0.228 4.778 4.640 -0.150 0.000 0.246 575 D C -0.574 175.983 176.300 0.430 0.000 1.109 575 D CA -0.418 53.752 54.000 0.284 0.000 0.845 575 D CB 1.442 42.355 40.800 0.188 0.000 1.160 575 D HN 0.709 nan 8.370 nan 0.000 0.534 576 D N 1.393 122.038 120.400 0.407 0.000 2.368 576 D HA -0.044 4.506 4.640 -0.150 0.000 0.218 576 D C 1.025 177.508 176.300 0.306 0.000 1.112 576 D CA -0.120 54.106 54.000 0.377 0.000 0.834 576 D CB -0.048 40.918 40.800 0.276 0.000 0.953 576 D HN 0.204 nan 8.370 nan 0.000 0.505 577 S N -0.226 115.616 115.700 0.237 0.000 2.387 577 S HA -0.295 4.085 4.470 -0.150 0.000 0.230 577 S C 1.886 176.569 174.600 0.139 0.000 1.035 577 S CA 0.720 59.017 58.200 0.162 0.000 1.014 577 S CB -1.060 62.219 63.200 0.130 0.000 0.836 577 S HN 0.400 nan 8.310 nan 0.000 0.466 578 Y N 1.806 122.108 120.300 0.004 0.000 2.207 578 Y HA -0.181 4.280 4.550 -0.149 0.000 0.287 578 Y C 1.765 177.511 175.900 -0.256 0.000 1.156 578 Y CA 1.273 59.267 58.100 -0.176 0.000 1.182 578 Y CB -0.442 37.821 38.460 -0.328 0.000 0.979 578 Y HN 0.283 nan 8.280 nan 0.000 0.521 579 Y N -1.140 119.197 120.300 0.061 0.000 2.503 579 Y HA 0.259 4.717 4.550 -0.153 0.000 0.278 579 Y C 2.133 178.007 175.900 -0.042 0.000 1.111 579 Y CA 0.495 58.566 58.100 -0.049 0.000 1.270 579 Y CB -0.198 38.275 38.460 0.020 0.000 1.063 579 Y HN 0.113 nan 8.280 nan 0.000 0.548 580 G N 0.737 109.616 108.800 0.132 0.000 2.143 580 G HA2 -0.241 3.629 3.960 -0.150 0.000 0.248 580 G HA3 -0.241 3.629 3.960 -0.150 0.000 0.248 580 G C -0.108 174.853 174.900 0.102 0.000 0.991 580 G CA 0.489 45.643 45.100 0.089 0.000 0.689 580 G HN 0.527 nan 8.290 nan 0.000 0.522 581 Q N -2.792 117.083 119.800 0.124 0.000 2.776 581 Q HA 0.513 4.763 4.340 -0.150 0.000 0.289 581 Q C -0.872 175.130 176.000 0.003 0.000 0.912 581 Q CA -1.058 54.792 55.803 0.079 0.000 0.789 581 Q CB 1.006 29.797 28.738 0.089 0.000 1.498 581 Q HN 0.510 nan 8.270 nan 0.000 0.408 582 V N 3.020 122.904 119.914 -0.051 0.000 2.287 582 V HA 0.173 4.203 4.120 -0.150 0.000 0.246 582 V C 0.736 176.653 176.094 -0.295 0.000 1.165 582 V CA -0.245 61.916 62.300 -0.232 0.000 1.088 582 V CB -1.364 30.343 31.823 -0.193 0.000 1.242 582 V HN 0.639 nan 8.190 nan 0.000 0.497 583 I N 1.139 121.451 120.570 -0.429 0.000 2.993 583 I HA 0.169 4.249 4.170 -0.150 0.000 0.286 583 I C 1.810 177.606 176.117 -0.534 0.000 1.215 583 I CA -0.158 60.840 61.300 -0.505 0.000 1.393 583 I CB 0.255 37.815 38.000 -0.734 0.000 1.371 583 I HN 0.732 nan 8.210 nan 0.000 0.602 584 H N 1.534 120.347 119.070 -0.428 0.000 2.422 584 H HA -0.134 4.330 4.556 -0.152 0.000 0.298 584 H C 1.457 176.618 175.328 -0.278 0.000 1.098 584 H CA 1.782 57.650 56.048 -0.300 0.000 1.315 584 H CB -0.443 29.201 29.762 -0.196 0.000 1.382 584 H HN 0.751 nan 8.280 nan 0.000 0.523 585 E N 0.789 120.512 120.200 -0.795 0.000 2.110 585 E HA -0.061 4.199 4.350 -0.150 0.000 0.193 585 E C 2.133 178.457 176.600 -0.461 0.000 0.988 585 E CA 1.434 57.567 56.400 -0.446 0.000 0.804 585 E CB -0.083 29.439 29.700 -0.298 0.000 0.745 585 E HN 0.609 nan 8.360 nan 0.000 0.458 586 I N 0.188 120.217 120.570 -0.902 0.000 2.202 586 I HA -0.221 3.859 4.170 -0.150 0.000 0.242 586 I C 2.457 178.178 176.117 -0.659 0.000 1.091 586 I CA 0.844 61.425 61.300 -1.198 0.000 1.368 586 I CB -0.138 36.863 38.000 -1.664 0.000 1.058 586 I HN 0.014 nan 8.210 nan 0.000 0.410 587 R N 1.590 121.789 120.500 -0.502 0.000 2.083 587 R HA -0.213 4.037 4.340 -0.150 0.000 0.237 587 R C 2.023 178.232 176.300 -0.151 0.000 1.137 587 R CA 1.792 57.728 56.100 -0.273 0.000 0.951 587 R CB -0.361 29.833 30.300 -0.176 0.000 0.851 587 R HN 0.349 nan 8.270 nan 0.000 0.434 588 E N -0.312 119.814 120.200 -0.123 0.000 2.085 588 E HA -0.255 4.005 4.350 -0.150 0.000 0.194 588 E C 1.946 178.529 176.600 -0.029 0.000 0.994 588 E CA 1.740 58.115 56.400 -0.042 0.000 0.801 588 E CB -0.238 29.460 29.700 -0.004 0.000 0.743 588 E HN 0.408 nan 8.360 nan 0.000 0.453 589 M N 0.876 120.451 119.600 -0.042 0.000 2.117 589 M HA -0.175 4.215 4.480 -0.150 0.000 0.262 589 M C 2.385 178.708 176.300 0.038 0.000 1.065 589 M CA 2.145 57.460 55.300 0.025 0.000 1.114 589 M CB -0.353 32.330 32.600 0.138 0.000 1.361 589 M HN 0.213 nan 8.290 nan 0.000 0.408 590 T N -1.323 113.231 114.554 0.000 0.000 2.788 590 T HA -0.098 4.163 4.350 -0.150 0.000 0.268 590 T C 1.527 176.255 174.700 0.047 0.000 1.044 590 T CA 1.560 63.688 62.100 0.047 0.000 1.139 590 T CB -1.432 67.469 68.868 0.054 0.000 0.867 590 T HN 0.472 nan 8.240 nan 0.000 0.454 591 V N -1.076 118.853 119.914 0.026 0.000 3.306 591 V HA 0.269 4.299 4.120 -0.150 0.000 0.264 591 V C 2.319 178.439 176.094 0.044 0.000 1.149 591 V CA 0.806 63.125 62.300 0.032 0.000 1.143 591 V CB -1.148 30.686 31.823 0.019 0.000 0.767 591 V HN 0.402 nan 8.190 nan 0.000 0.476 592 M N 0.627 120.260 119.600 0.054 0.000 2.492 592 M HA 0.159 4.549 4.480 -0.150 0.000 0.262 592 M C 1.233 177.588 176.300 0.092 0.000 1.090 592 M CA 1.204 56.546 55.300 0.070 0.000 1.110 592 M CB -0.619 32.032 32.600 0.085 0.000 1.407 592 M HN 0.622 nan 8.290 nan 0.000 0.470 593 N N 0.846 119.602 118.700 0.093 0.000 2.754 593 N HA -0.169 4.481 4.740 -0.150 0.000 0.248 593 N C -0.426 175.175 175.510 0.153 0.000 1.093 593 N CA 0.080 53.194 53.050 0.107 0.000 0.699 593 N CB -0.411 38.131 38.487 0.092 0.000 1.016 593 N HN 0.400 nan 8.380 nan 0.000 0.552 594 M N 0.282 119.984 119.600 0.169 0.000 2.876 594 M HA 0.206 4.597 4.480 -0.150 0.000 0.367 594 M C 1.272 177.668 176.300 0.160 0.000 1.242 594 M CA 0.350 55.790 55.300 0.233 0.000 0.889 594 M CB 0.799 33.590 32.600 0.317 0.000 1.353 594 M HN 0.386 nan 8.290 nan 0.000 0.511 595 G N 2.021 110.883 108.800 0.104 0.000 2.622 595 G HA2 -0.325 3.545 3.960 -0.150 0.000 0.307 595 G HA3 -0.325 3.545 3.960 -0.150 0.000 0.307 595 G C 0.471 175.384 174.900 0.022 0.000 1.226 595 G CA 0.429 45.544 45.100 0.025 0.000 0.997 595 G HN 0.579 nan 8.290 nan 0.000 0.551 596 N N 0.057 118.721 118.700 -0.060 0.000 2.270 596 N HA 0.061 4.711 4.740 -0.150 0.000 0.198 596 N C 0.134 175.680 175.510 0.059 0.000 1.117 596 N CA 0.044 53.114 53.050 0.032 0.000 0.845 596 N CB 0.256 38.682 38.487 -0.102 0.000 0.980 596 N HN 0.443 nan 8.380 nan 0.000 0.486 597 Y N 2.186 122.372 120.300 -0.190 0.000 2.680 597 Y HA 0.208 4.676 4.550 -0.137 0.000 0.356 597 Y C -0.000 175.847 175.900 -0.089 0.000 1.122 597 Y CA -0.791 57.162 58.100 -0.246 0.000 1.509 597 Y CB -0.113 38.082 38.460 -0.442 0.000 1.245 597 Y HN -0.053 nan 8.280 nan 0.000 0.513 598 A N 6.302 128.766 122.820 -0.595 0.000 2.774 598 A HA 0.127 4.357 4.320 -0.150 0.000 0.326 598 A C 1.191 178.400 177.584 -0.626 0.000 1.478 598 A CA -0.437 51.326 52.037 -0.456 0.000 1.099 598 A CB -0.661 18.115 19.000 -0.374 0.000 1.148 598 A HN 1.017 nan 8.150 nan 0.000 0.519 599 H N 2.528 121.213 119.070 -0.643 0.000 2.457 599 H HA -0.155 4.354 4.556 -0.078 0.000 0.297 599 H C 1.842 176.952 175.328 -0.364 0.000 1.092 599 H CA 1.873 57.584 56.048 -0.561 0.000 1.309 599 H CB 0.299 29.941 29.762 -0.201 0.000 1.382 599 H HN 0.695 nan 8.280 nan 0.000 0.535 600 G N 0.255 108.876 108.800 -0.298 0.000 2.534 600 G HA2 -0.164 3.706 3.960 -0.150 0.000 0.217 600 G HA3 -0.164 3.706 3.960 -0.150 0.000 0.217 600 G C 0.416 175.193 174.900 -0.206 0.000 1.128 600 G CA -0.259 44.707 45.100 -0.223 0.000 0.784 600 G HN 0.259 nan 8.290 nan 0.000 0.542 601 N N 0.654 119.189 118.700 -0.274 0.000 2.442 601 N HA 0.276 4.926 4.740 -0.150 0.000 0.265 601 N C 1.136 176.496 175.510 -0.251 0.000 1.138 601 N CA -0.146 52.777 53.050 -0.211 0.000 0.956 601 N CB 1.449 39.709 38.487 -0.379 0.000 1.067 601 N HN -0.012 nan 8.380 nan 0.000 0.474 602 Q N 2.914 122.619 119.800 -0.158 0.000 2.124 602 Q HA -0.045 4.206 4.340 -0.150 0.000 0.202 602 Q C -0.764 175.055 176.000 -0.301 0.000 0.977 602 Q CA 1.604 57.227 55.803 -0.299 0.000 0.850 602 Q CB -0.764 27.674 28.738 -0.499 0.000 0.901 602 Q HN 0.561 nan 8.270 nan 0.000 0.429 603 P HA -0.127 nan 4.420 nan 0.000 0.219 603 P C 0.755 177.992 177.300 -0.105 0.000 1.146 603 P CA 1.096 64.012 63.100 -0.306 0.000 0.808 603 P CB 0.093 31.366 31.700 -0.712 0.000 0.779 604 I N -1.189 119.268 120.570 -0.189 0.000 3.883 604 I HA -0.005 4.075 4.170 -0.150 0.000 0.326 604 I C 1.671 177.703 176.117 -0.143 0.000 1.283 604 I CA 0.327 61.510 61.300 -0.194 0.000 1.161 604 I CB -0.049 37.773 38.000 -0.297 0.000 1.012 604 I HN -0.110 nan 8.210 nan 0.000 0.421 605 Q N 0.072 119.836 119.800 -0.060 0.000 2.291 605 Q HA -0.212 4.038 4.340 -0.150 0.000 0.206 605 Q C 1.601 177.823 176.000 0.370 0.000 0.976 605 Q CA 1.279 57.107 55.803 0.042 0.000 0.875 605 Q CB -0.105 28.586 28.738 -0.078 0.000 0.927 605 Q HN 0.708 nan 8.270 nan 0.000 0.450 606 H N -0.953 118.274 119.070 0.261 0.000 2.548 606 H HA 0.118 4.530 4.556 -0.241 0.000 0.265 606 H C 1.743 177.237 175.328 0.275 0.000 0.969 606 H CA 0.139 56.365 56.048 0.296 0.000 1.155 606 H CB -0.209 29.792 29.762 0.399 0.000 1.394 606 H HN 0.180 nan 8.280 nan 0.000 0.570 607 M N 1.435 120.794 119.600 -0.403 0.000 2.080 607 M HA -0.131 4.259 4.480 -0.150 0.000 0.260 607 M C 1.798 177.932 176.300 -0.277 0.000 1.068 607 M CA 1.375 56.351 55.300 -0.539 0.000 1.109 607 M CB -0.300 31.906 32.600 -0.656 0.000 1.342 607 M HN 0.246 nan 8.290 nan 0.000 0.405 608 I N -0.381 120.145 120.570 -0.072 0.000 2.335 608 I HA -0.328 3.752 4.170 -0.150 0.000 0.251 608 I C 1.819 177.949 176.117 0.022 0.000 1.129 608 I CA 1.374 62.654 61.300 -0.033 0.000 1.402 608 I CB -0.613 37.384 38.000 -0.005 0.000 1.069 608 I HN 0.271 nan 8.210 nan 0.000 0.424 609 Y N 0.415 120.802 120.300 0.144 0.000 2.483 609 Y HA -0.133 4.314 4.550 -0.172 0.000 0.291 609 Y C 2.218 178.310 175.900 0.319 0.000 1.143 609 Y CA 0.710 58.953 58.100 0.239 0.000 1.289 609 Y CB -0.361 38.260 38.460 0.268 0.000 0.983 609 Y HN 0.144 nan 8.280 nan 0.000 0.556 610 L N -1.664 119.737 121.223 0.296 0.000 2.362 610 L HA -0.216 4.034 4.340 -0.150 0.000 0.219 610 L C 1.583 178.654 176.870 0.335 0.000 1.134 610 L CA 0.798 55.812 54.840 0.289 0.000 0.807 610 L CB -0.616 41.503 42.059 0.100 0.000 0.927 610 L HN 0.265 nan 8.230 nan 0.000 0.447 611 Y N 0.567 121.000 120.300 0.221 0.000 2.315 611 Y HA -0.262 4.201 4.550 -0.146 0.000 0.288 611 Y C 2.218 178.181 175.900 0.105 0.000 1.154 611 Y CA 1.211 59.387 58.100 0.127 0.000 1.229 611 Y CB -0.464 37.994 38.460 -0.003 0.000 0.980 611 Y HN 0.247 nan 8.280 nan 0.000 0.540 612 D N -1.630 118.969 120.400 0.332 0.000 2.178 612 D HA -0.172 4.378 4.640 -0.150 0.000 0.202 612 D C 1.601 177.980 176.300 0.132 0.000 0.974 612 D CA 1.328 55.447 54.000 0.198 0.000 0.841 612 D CB -0.433 40.478 40.800 0.185 0.000 0.953 612 D HN 0.361 nan 8.370 nan 0.000 0.478 613 Y N 0.151 120.505 120.300 0.089 0.000 2.516 613 Y HA 0.214 4.675 4.550 -0.148 0.000 0.291 613 Y C 2.021 177.883 175.900 -0.064 0.000 1.131 613 Y CA 0.486 58.585 58.100 -0.001 0.000 1.281 613 Y CB -0.054 38.363 38.460 -0.070 0.000 1.013 613 Y HN -0.076 nan 8.280 nan 0.000 0.554 614 A N -0.663 122.239 122.820 0.138 0.000 2.387 614 A HA 0.505 4.736 4.320 -0.150 0.000 0.234 614 A C 1.801 179.430 177.584 0.075 0.000 1.253 614 A CA 0.510 52.593 52.037 0.077 0.000 0.894 614 A CB -0.803 18.317 19.000 0.200 0.000 0.963 614 A HN 0.482 nan 8.150 nan 0.000 0.508 615 G N -0.682 108.151 108.800 0.054 0.000 2.160 615 G HA2 -0.235 3.635 3.960 -0.150 0.000 0.244 615 G HA3 -0.235 3.635 3.960 -0.150 0.000 0.244 615 G C -0.029 174.795 174.900 -0.127 0.000 1.022 615 G CA 0.373 45.489 45.100 0.026 0.000 0.741 615 G HN 0.593 nan 8.290 nan 0.000 0.508 616 Q N -0.656 118.959 119.800 -0.309 0.000 2.928 616 Q HA 0.195 4.445 4.340 -0.150 0.000 0.353 616 Q C -1.657 173.881 176.000 -0.771 0.000 0.870 616 Q CA -1.440 53.714 55.803 -1.082 0.000 0.963 616 Q CB 1.775 29.895 28.738 -1.030 0.000 1.419 616 Q HN 0.336 nan 8.270 nan 0.000 0.396 617 P HA -0.190 nan 4.420 nan 0.000 0.219 617 P C 0.874 178.193 177.300 0.032 0.000 1.146 617 P CA 1.111 64.201 63.100 -0.017 0.000 0.808 617 P CB -0.125 31.654 31.700 0.132 0.000 0.779 618 W N 1.306 122.669 121.300 0.106 0.000 2.374 618 W HA 0.029 4.603 4.660 -0.143 0.000 0.288 618 W C 1.885 178.499 176.519 0.157 0.000 1.218 618 W CA 0.920 58.364 57.345 0.164 0.000 1.245 618 W CB -1.503 27.968 29.460 0.017 0.000 1.126 618 W HN -0.153 nan 8.180 nan 0.000 0.545 619 K N 0.652 120.771 120.400 -0.468 0.000 2.057 619 K HA -0.077 4.153 4.320 -0.150 0.000 0.206 619 K C 2.497 178.943 176.600 -0.257 0.000 1.050 619 K CA 1.611 57.604 56.287 -0.490 0.000 0.935 619 K CB -0.484 31.299 32.500 -1.196 0.000 0.715 619 K HN 0.243 nan 8.250 nan 0.000 0.439 620 A N 1.245 123.985 122.820 -0.133 0.000 1.898 620 A HA -0.232 3.998 4.320 -0.150 0.000 0.216 620 A C 2.015 179.604 177.584 0.008 0.000 1.181 620 A CA 1.368 53.441 52.037 0.060 0.000 0.620 620 A CB -0.485 18.570 19.000 0.092 0.000 0.819 620 A HN 0.300 nan 8.150 nan 0.000 0.442 621 Q N -1.808 118.040 119.800 0.080 0.000 2.077 621 Q HA -0.245 4.006 4.340 -0.150 0.000 0.206 621 Q C 1.993 177.963 176.000 -0.050 0.000 0.989 621 Q CA 2.111 57.964 55.803 0.082 0.000 0.853 621 Q CB -0.479 28.410 28.738 0.252 0.000 0.907 621 Q HN 0.839 nan 8.270 nan 0.000 0.418 622 Y N -0.547 119.675 120.300 -0.130 0.000 2.070 622 Y HA -0.286 4.174 4.550 -0.150 0.000 0.280 622 Y C 1.602 177.116 175.900 -0.644 0.000 1.148 622 Y CA 1.787 59.615 58.100 -0.454 0.000 1.125 622 Y CB -0.418 37.807 38.460 -0.390 0.000 0.975 622 Y HN 0.144 nan 8.280 nan 0.000 0.492 623 W N 0.103 121.214 121.300 -0.316 0.000 2.418 623 W HA -0.106 4.468 4.660 -0.144 0.000 0.292 623 W C 2.269 178.534 176.519 -0.423 0.000 1.213 623 W CA 0.964 58.022 57.345 -0.480 0.000 1.283 623 W CB -0.360 28.796 29.460 -0.507 0.000 1.119 623 W HN 0.073 nan 8.180 nan 0.000 0.542 624 L N -0.019 121.131 121.223 -0.122 0.000 2.046 624 L HA -0.215 4.035 4.340 -0.150 0.000 0.208 624 L C 2.614 179.381 176.870 -0.172 0.000 1.077 624 L CA 1.259 56.042 54.840 -0.095 0.000 0.747 624 L CB -0.750 41.202 42.059 -0.179 0.000 0.896 624 L HN -0.104 nan 8.230 nan 0.000 0.432 625 R N -0.103 120.171 120.500 -0.377 0.000 2.096 625 R HA -0.147 4.104 4.340 -0.150 0.000 0.235 625 R C 2.324 178.339 176.300 -0.474 0.000 1.127 625 R CA 1.269 57.087 56.100 -0.470 0.000 0.968 625 R CB -0.295 29.567 30.300 -0.730 0.000 0.861 625 R HN 0.302 nan 8.270 nan 0.000 0.440 626 Q N -0.185 119.254 119.800 -0.602 0.000 2.061 626 Q HA -0.125 4.125 4.340 -0.150 0.000 0.204 626 Q C 2.141 178.036 176.000 -0.176 0.000 0.984 626 Q CA 1.932 57.463 55.803 -0.453 0.000 0.846 626 Q CB -0.467 27.969 28.738 -0.502 0.000 0.902 626 Q HN 0.284 nan 8.270 nan 0.000 0.421 627 V N 0.992 120.849 119.914 -0.095 0.000 2.295 627 V HA -0.264 3.767 4.120 -0.150 0.000 0.246 627 V C 2.410 178.572 176.094 0.114 0.000 1.049 627 V CA 1.692 63.976 62.300 -0.027 0.000 1.024 627 V CB -0.538 31.201 31.823 -0.140 0.000 0.648 627 V HN 0.332 nan 8.190 nan 0.000 0.447 628 M N -0.409 119.267 119.600 0.127 0.000 2.159 628 M HA -0.182 4.208 4.480 -0.150 0.000 0.263 628 M C 1.844 178.253 176.300 0.181 0.000 1.063 628 M CA 1.742 57.160 55.300 0.196 0.000 1.110 628 M CB -0.455 32.118 32.600 -0.045 0.000 1.374 628 M HN 0.331 nan 8.290 nan 0.000 0.411 629 D N -0.435 119.973 120.400 0.013 0.000 2.194 629 D HA -0.031 4.519 4.640 -0.150 0.000 0.204 629 D C 1.969 178.280 176.300 0.019 0.000 0.964 629 D CA 1.046 55.034 54.000 -0.019 0.000 0.846 629 D CB 0.041 40.764 40.800 -0.128 0.000 0.962 629 D HN 0.349 nan 8.370 nan 0.000 0.490 630 R N -0.780 119.735 120.500 0.025 0.000 2.221 630 R HA 0.243 4.493 4.340 -0.150 0.000 0.195 630 R C 1.513 177.840 176.300 0.045 0.000 0.956 630 R CA 0.113 56.226 56.100 0.022 0.000 1.064 630 R CB 0.334 30.634 30.300 0.001 0.000 1.049 630 R HN 0.056 nan 8.270 nan 0.000 0.534 631 M N -0.143 119.508 119.600 0.085 0.000 2.428 631 M HA 0.183 4.573 4.480 -0.150 0.000 0.239 631 M C -0.581 175.634 176.300 -0.141 0.000 1.121 631 M CA 0.523 55.816 55.300 -0.012 0.000 1.019 631 M CB 0.234 32.792 32.600 -0.069 0.000 1.485 631 M HN -0.074 nan 8.290 nan 0.000 0.484 632 Y N 0.190 120.489 120.300 -0.001 0.000 2.361 632 Y HA 0.452 4.902 4.550 -0.167 0.000 0.337 632 Y C 0.535 176.355 175.900 -0.134 0.000 0.965 632 Y CA -1.253 56.782 58.100 -0.108 0.000 1.091 632 Y CB 1.404 39.759 38.460 -0.175 0.000 1.182 632 Y HN 0.004 nan 8.280 nan 0.000 0.450 633 T N -0.443 114.072 114.554 -0.064 0.000 2.916 633 T HA 0.436 4.697 4.350 -0.150 0.000 0.292 633 T C -2.510 172.117 174.700 -0.122 0.000 1.064 633 T CA -2.449 59.610 62.100 -0.067 0.000 1.011 633 T CB 2.528 71.363 68.868 -0.054 0.000 1.152 633 T HN 0.284 nan 8.240 nan 0.000 0.510 634 P HA 0.194 nan 4.420 nan 0.000 0.245 634 P C 0.920 178.178 177.300 -0.070 0.000 1.206 634 P CA 0.106 63.166 63.100 -0.065 0.000 0.781 634 P CB -0.251 31.448 31.700 -0.002 0.000 0.994 635 G N 1.609 110.356 108.800 -0.088 0.000 2.588 635 G HA2 0.216 4.086 3.960 -0.150 0.000 0.278 635 G HA3 0.216 4.086 3.960 -0.150 0.000 0.278 635 G C -1.617 173.189 174.900 -0.156 0.000 1.307 635 G CA -1.145 43.883 45.100 -0.119 0.000 1.016 635 G HN -0.090 nan 8.290 nan 0.000 0.503 636 P HA -0.029 nan 4.420 nan 0.000 0.218 636 P C 0.534 177.751 177.300 -0.139 0.000 1.148 636 P CA 1.217 64.127 63.100 -0.316 0.000 0.822 636 P CB 0.130 31.271 31.700 -0.933 0.000 0.784 637 D N -1.248 119.076 120.400 -0.127 0.000 3.168 637 D HA 0.132 4.682 4.640 -0.150 0.000 0.255 637 D C 1.404 177.680 176.300 -0.039 0.000 1.314 637 D CA -0.468 53.509 54.000 -0.039 0.000 0.900 637 D CB -0.899 39.880 40.800 -0.034 0.000 1.072 637 D HN 0.049 nan 8.370 nan 0.000 0.487 638 G N -0.478 108.283 108.800 -0.064 0.000 2.494 638 G HA2 -0.062 3.809 3.960 -0.150 0.000 0.216 638 G HA3 -0.062 3.809 3.960 -0.150 0.000 0.216 638 G C 0.187 174.910 174.900 -0.294 0.000 1.140 638 G CA 0.169 45.153 45.100 -0.192 0.000 0.801 638 G HN 0.267 nan 8.290 nan 0.000 0.536 639 Y N -0.959 119.306 120.300 -0.058 0.000 2.374 639 Y HA 0.321 4.781 4.550 -0.151 0.000 0.322 639 Y C 1.700 177.520 175.900 -0.133 0.000 1.275 639 Y CA -0.844 57.169 58.100 -0.145 0.000 1.307 639 Y CB 1.148 39.562 38.460 -0.077 0.000 1.282 639 Y HN 0.082 nan 8.280 nan 0.000 0.509 640 C N -1.677 117.615 119.300 -0.014 0.000 2.791 640 C HA 0.784 5.154 4.460 -0.150 0.000 0.270 640 C C 0.752 175.760 174.990 0.031 0.000 1.257 640 C CA 0.192 59.202 59.018 -0.013 0.000 1.699 640 C CB -1.408 26.299 27.740 -0.055 0.000 1.904 640 C HN 0.949 nan 8.230 nan 0.000 0.603 641 G N -0.457 108.381 108.800 0.064 0.000 2.427 641 G HA2 0.404 4.274 3.960 -0.150 0.000 0.306 641 G HA3 0.404 4.274 3.960 -0.150 0.000 0.306 641 G C -2.147 172.799 174.900 0.077 0.000 1.280 641 G CA -0.542 44.612 45.100 0.090 0.000 0.837 641 G HN 0.051 nan 8.290 nan 0.000 0.482 642 D N 0.704 121.175 120.400 0.118 0.000 2.533 642 D HA 0.099 4.650 4.640 -0.150 0.000 0.236 642 D C 1.320 177.578 176.300 -0.071 0.000 1.137 642 D CA 0.048 54.099 54.000 0.084 0.000 0.867 642 D CB 1.480 42.415 40.800 0.224 0.000 1.170 642 D HN 0.433 nan 8.370 nan 0.000 0.474 643 E N 1.782 121.837 120.200 -0.241 0.000 2.150 643 E HA -0.187 4.073 4.350 -0.150 0.000 0.193 643 E C -0.371 176.145 176.600 -0.141 0.000 0.985 643 E CA 0.573 56.712 56.400 -0.435 0.000 0.814 643 E CB 0.119 29.420 29.700 -0.665 0.000 0.752 643 E HN 0.437 nan 8.360 nan 0.000 0.466 644 D N 0.510 120.891 120.400 -0.033 0.000 2.697 644 D HA -0.231 4.319 4.640 -0.150 0.000 0.238 644 D C -0.666 175.642 176.300 0.013 0.000 1.152 644 D CA 1.045 55.084 54.000 0.064 0.000 0.666 644 D CB -1.997 38.889 40.800 0.145 0.000 1.037 644 D HN 0.443 nan 8.370 nan 0.000 0.423 645 N N -1.289 117.348 118.700 -0.104 0.000 2.735 645 N HA -0.218 4.433 4.740 -0.150 0.000 0.248 645 N C 1.079 176.650 175.510 0.102 0.000 1.083 645 N CA 1.292 54.248 53.050 -0.156 0.000 0.703 645 N CB -1.079 37.234 38.487 -0.291 0.000 1.005 645 N HN 0.729 nan 8.380 nan 0.000 0.550 646 G N -1.147 107.712 108.800 0.098 0.000 2.232 646 G HA2 -0.405 3.465 3.960 -0.150 0.000 0.226 646 G HA3 -0.405 3.465 3.960 -0.150 0.000 0.226 646 G C 0.682 175.680 174.900 0.164 0.000 0.996 646 G CA 0.829 46.010 45.100 0.135 0.000 0.626 646 G HN 0.499 nan 8.290 nan 0.000 0.509 647 Q N 1.071 120.959 119.800 0.147 0.000 2.016 647 Q HA 0.030 4.281 4.340 -0.150 0.000 0.200 647 Q C 2.451 178.620 176.000 0.281 0.000 0.978 647 Q CA 3.105 59.021 55.803 0.188 0.000 0.833 647 Q CB -0.936 27.874 28.738 0.119 0.000 0.895 647 Q HN 0.456 nan 8.270 nan 0.000 0.427 648 T N 0.078 114.763 114.554 0.218 0.000 2.881 648 T HA -0.066 4.194 4.350 -0.150 0.000 0.270 648 T C 1.880 176.943 174.700 0.605 0.000 1.068 648 T CA 1.235 63.532 62.100 0.328 0.000 1.131 648 T CB -0.248 68.697 68.868 0.128 0.000 0.871 648 T HN 0.253 nan 8.240 nan 0.000 0.479 649 S N 1.233 117.208 115.700 0.458 0.000 2.362 649 S HA 0.113 4.493 4.470 -0.150 0.000 0.221 649 S C 2.599 177.440 174.600 0.401 0.000 1.032 649 S CA 0.747 59.239 58.200 0.487 0.000 0.973 649 S CB -0.433 62.959 63.200 0.319 0.000 0.849 649 S HN 0.571 nan 8.310 nan 0.000 0.465 650 A N 0.273 123.297 122.820 0.341 0.000 2.019 650 A HA -0.132 4.099 4.320 -0.150 0.000 0.219 650 A C 1.761 179.634 177.584 0.481 0.000 1.164 650 A CA 1.180 53.397 52.037 0.301 0.000 0.644 650 A CB -0.987 18.179 19.000 0.277 0.000 0.805 650 A HN 0.713 nan 8.150 nan 0.000 0.449 651 W N -0.742 120.826 121.300 0.447 0.000 2.338 651 W HA -0.282 4.275 4.660 -0.171 0.000 0.304 651 W C 2.025 178.809 176.519 0.441 0.000 1.212 651 W CA 2.165 59.853 57.345 0.572 0.000 1.264 651 W CB -0.382 29.416 29.460 0.562 0.000 1.142 651 W HN 0.479 nan 8.180 nan 0.000 0.512 652 Y N -0.127 120.493 120.300 0.532 0.000 2.220 652 Y HA -0.202 4.253 4.550 -0.159 0.000 0.291 652 Y C 2.270 178.180 175.900 0.016 0.000 1.129 652 Y CA 2.340 60.517 58.100 0.128 0.000 1.161 652 Y CB -0.767 37.517 38.460 -0.293 0.000 0.997 652 Y HN -0.187 nan 8.280 nan 0.000 0.522 653 V N -0.223 119.770 119.914 0.131 0.000 2.255 653 V HA -0.321 3.709 4.120 -0.150 0.000 0.247 653 V C 2.124 178.173 176.094 -0.075 0.000 1.051 653 V CA 2.161 64.384 62.300 -0.129 0.000 1.018 653 V CB -0.906 30.730 31.823 -0.311 0.000 0.641 653 V HN 0.339 nan 8.190 nan 0.000 0.445 654 F N 0.862 120.750 119.950 -0.103 0.000 2.102 654 F HA -0.170 4.268 4.527 -0.150 0.000 0.298 654 F C 2.741 178.325 175.800 -0.361 0.000 1.105 654 F CA 1.990 59.845 58.000 -0.241 0.000 1.239 654 F CB -0.788 38.134 39.000 -0.129 0.000 0.991 654 F HN 0.044 nan 8.300 nan 0.000 0.474 655 S N -0.294 115.292 115.700 -0.190 0.000 2.383 655 S HA -0.146 4.234 4.470 -0.150 0.000 0.227 655 S C 2.288 176.696 174.600 -0.320 0.000 1.026 655 S CA 0.915 58.902 58.200 -0.355 0.000 0.981 655 S CB -0.679 62.005 63.200 -0.860 0.000 0.818 655 S HN 0.369 nan 8.310 nan 0.000 0.472 656 A N 1.257 123.863 122.820 -0.356 0.000 1.969 656 A HA 0.054 4.284 4.320 -0.150 0.000 0.218 656 A C 2.027 179.514 177.584 -0.162 0.000 1.169 656 A CA 0.954 52.803 52.037 -0.313 0.000 0.635 656 A CB -0.575 18.294 19.000 -0.219 0.000 0.810 656 A HN 0.464 nan 8.150 nan 0.000 0.445 657 L N -1.828 119.290 121.223 -0.175 0.000 2.156 657 L HA 0.089 4.339 4.340 -0.150 0.000 0.208 657 L C 1.770 178.469 176.870 -0.285 0.000 1.095 657 L CA 0.935 55.620 54.840 -0.259 0.000 0.770 657 L CB -0.219 41.545 42.059 -0.490 0.000 0.914 657 L HN 0.603 nan 8.230 nan 0.000 0.439 658 G N -0.464 108.154 108.800 -0.303 0.000 2.151 658 G HA2 -0.181 3.689 3.960 -0.150 0.000 0.140 658 G HA3 -0.181 3.689 3.960 -0.150 0.000 0.140 658 G C -0.121 174.886 174.900 0.178 0.000 1.020 658 G CA -0.161 44.917 45.100 -0.036 0.000 0.688 658 G HN 0.263 nan 8.290 nan 0.000 0.500 659 F N -2.255 117.803 119.950 0.179 0.000 2.741 659 F HA 0.823 5.259 4.527 -0.151 0.000 0.311 659 F C -1.202 174.641 175.800 0.071 0.000 1.149 659 F CA -2.622 55.482 58.000 0.173 0.000 0.930 659 F CB 1.057 40.149 39.000 0.154 0.000 1.312 659 F HN 0.267 nan 8.300 nan 0.000 0.450 660 Y N 1.619 121.863 120.300 -0.093 0.000 2.482 660 Y HA 0.555 4.990 4.550 -0.193 0.000 0.334 660 Y C -2.931 172.728 175.900 -0.402 0.000 1.091 660 Y CA -2.273 55.466 58.100 -0.601 0.000 1.027 660 Y CB 3.206 40.892 38.460 -1.291 0.000 1.306 660 Y HN 0.475 nan 8.280 nan 0.000 0.446 661 P HA 0.071 nan 4.420 nan 0.000 0.252 661 P C 0.438 177.500 177.300 -0.397 0.000 1.727 661 P CA 0.288 63.041 63.100 -0.580 0.000 1.134 661 P CB 0.816 32.140 31.700 -0.626 0.000 1.876 662 V N 1.720 121.619 119.914 -0.026 0.000 2.392 662 V HA -0.184 3.846 4.120 -0.150 0.000 0.249 662 V C 1.456 177.596 176.094 0.076 0.000 1.059 662 V CA 1.724 64.155 62.300 0.219 0.000 1.051 662 V CB -0.309 31.728 31.823 0.357 0.000 0.658 662 V HN 0.570 nan 8.190 nan 0.000 0.455 663 C N 1.952 121.253 119.300 0.002 0.000 2.647 663 C HA 0.521 4.891 4.460 -0.150 0.000 0.273 663 C C -2.618 172.378 174.990 0.010 0.000 1.088 663 C CA -2.258 56.752 59.018 -0.013 0.000 1.529 663 C CB -0.232 27.513 27.740 0.008 0.000 1.810 663 C HN 0.280 nan 8.230 nan 0.000 0.422 664 P HA 0.315 nan 4.420 nan 0.000 0.267 664 P C 0.926 178.353 177.300 0.212 0.000 1.200 664 P CA 1.983 65.119 63.100 0.060 0.000 0.772 664 P CB 0.555 32.319 31.700 0.108 0.000 0.855 665 G N 0.722 109.574 108.800 0.087 0.000 2.279 665 G HA2 -0.212 3.658 3.960 -0.150 0.000 0.223 665 G HA3 -0.212 3.658 3.960 -0.150 0.000 0.223 665 G C 0.429 175.403 174.900 0.122 0.000 1.015 665 G CA 0.333 45.496 45.100 0.106 0.000 0.621 665 G HN 0.846 nan 8.290 nan 0.000 0.506 666 T N -0.769 113.869 114.554 0.140 0.000 2.862 666 T HA 0.515 4.775 4.350 -0.150 0.000 0.276 666 T C 0.804 175.411 174.700 -0.155 0.000 0.974 666 T CA 0.615 62.691 62.100 -0.040 0.000 0.966 666 T CB 1.650 70.449 68.868 -0.114 0.000 1.072 666 T HN 0.401 nan 8.240 nan 0.000 0.538 667 D N -1.068 119.239 120.400 -0.154 0.000 2.358 667 D HA 0.101 4.652 4.640 -0.150 0.000 0.224 667 D C -0.058 176.133 176.300 -0.182 0.000 1.123 667 D CA -0.303 53.597 54.000 -0.167 0.000 0.833 667 D CB -0.145 40.618 40.800 -0.063 0.000 0.946 667 D HN 0.713 nan 8.370 nan 0.000 0.505 668 E N -0.107 119.934 120.200 -0.264 0.000 2.191 668 E HA 0.365 4.625 4.350 -0.150 0.000 0.274 668 E C -1.105 175.250 176.600 -0.409 0.000 0.948 668 E CA -0.840 55.450 56.400 -0.182 0.000 0.802 668 E CB 1.457 31.093 29.700 -0.108 0.000 1.137 668 E HN 0.129 nan 8.360 nan 0.000 0.397 669 Y N 0.505 120.848 120.300 0.072 0.000 2.328 669 Y HA 0.278 4.735 4.550 -0.155 0.000 0.336 669 Y C -0.115 175.869 175.900 0.140 0.000 0.960 669 Y CA -1.016 57.112 58.100 0.047 0.000 1.134 669 Y CB 1.239 39.718 38.460 0.033 0.000 1.166 669 Y HN 0.208 nan 8.280 nan 0.000 0.464 670 V N 4.896 124.957 119.914 0.244 0.000 2.530 670 V HA 0.118 4.148 4.120 -0.150 0.000 0.282 670 V C 0.300 176.616 176.094 0.370 0.000 1.048 670 V CA -0.636 61.833 62.300 0.281 0.000 0.997 670 V CB 1.023 33.012 31.823 0.276 0.000 0.987 670 V HN 0.738 nan 8.190 nan 0.000 0.477 671 M N 4.735 124.568 119.600 0.388 0.000 2.219 671 M HA 0.471 4.861 4.480 -0.150 0.000 0.353 671 M C 0.642 177.225 176.300 0.472 0.000 1.304 671 M CA 0.731 56.272 55.300 0.402 0.000 1.115 671 M CB 0.709 33.485 32.600 0.293 0.000 1.664 671 M HN 0.787 nan 8.290 nan 0.000 0.459 672 G N 1.465 110.542 108.800 0.463 0.000 3.414 672 G HA2 0.493 4.363 3.960 -0.150 0.000 0.196 672 G HA3 0.493 4.363 3.960 -0.150 0.000 0.196 672 G C -0.952 174.041 174.900 0.156 0.000 1.486 672 G CA -0.114 45.164 45.100 0.296 0.000 0.811 672 G HN 0.621 nan 8.290 nan 0.000 0.704 673 T N 1.896 116.491 114.554 0.068 0.000 3.071 673 T HA 0.576 4.836 4.350 -0.150 0.000 0.311 673 T C -2.991 171.689 174.700 -0.033 0.000 1.042 673 T CA -1.058 61.063 62.100 0.035 0.000 1.028 673 T CB 2.053 70.931 68.868 0.018 0.000 1.068 673 T HN 0.237 nan 8.240 nan 0.000 0.451 674 P HA 0.216 nan 4.420 nan 0.000 0.272 674 P C 0.406 177.616 177.300 -0.150 0.000 1.223 674 P CA -0.534 62.522 63.100 -0.073 0.000 0.784 674 P CB 1.114 32.805 31.700 -0.015 0.000 0.923 675 L N 1.304 122.364 121.223 -0.271 0.000 2.298 675 L HA 0.311 4.561 4.340 -0.150 0.000 0.209 675 L C 0.505 177.032 176.870 -0.572 0.000 1.084 675 L CA 1.052 55.597 54.840 -0.490 0.000 0.816 675 L CB -0.355 41.242 42.059 -0.770 0.000 0.967 675 L HN 0.152 nan 8.230 nan 0.000 0.460 676 F N -0.573 119.298 119.950 -0.132 0.000 2.457 676 F HA 0.352 4.788 4.527 -0.151 0.000 0.330 676 F C 1.610 177.371 175.800 -0.065 0.000 1.069 676 F CA -0.581 57.358 58.000 -0.102 0.000 1.009 676 F CB 0.725 39.645 39.000 -0.132 0.000 1.276 676 F HN -0.326 nan 8.300 nan 0.000 0.492 677 K N 0.029 120.535 120.400 0.178 0.000 2.155 677 K HA -0.015 4.215 4.320 -0.150 0.000 0.203 677 K C 0.257 176.902 176.600 0.074 0.000 1.052 677 K CA 1.081 57.423 56.287 0.092 0.000 0.948 677 K CB 0.235 32.783 32.500 0.080 0.000 0.728 677 K HN 0.351 nan 8.250 nan 0.000 0.448 678 K N -0.017 120.433 120.400 0.084 0.000 2.501 678 K HA 0.463 4.693 4.320 -0.150 0.000 0.252 678 K C -2.061 174.523 176.600 -0.028 0.000 0.934 678 K CA -0.507 55.794 56.287 0.024 0.000 0.797 678 K CB 2.176 34.684 32.500 0.013 0.000 1.270 678 K HN -0.008 nan 8.250 nan 0.000 0.431 679 A N 2.214 124.999 122.820 -0.058 0.000 2.393 679 A HA 0.640 4.870 4.320 -0.150 0.000 0.306 679 A C -1.150 176.348 177.584 -0.144 0.000 1.050 679 A CA -0.578 51.378 52.037 -0.136 0.000 0.724 679 A CB 1.830 20.755 19.000 -0.125 0.000 1.248 679 A HN 0.550 nan 8.150 nan 0.000 0.424 680 T N 3.074 117.503 114.554 -0.208 0.000 2.809 680 T HA 0.538 4.798 4.350 -0.150 0.000 0.284 680 T C -0.559 173.854 174.700 -0.479 0.000 0.992 680 T CA -0.196 61.718 62.100 -0.310 0.000 0.957 680 T CB 0.578 69.267 68.868 -0.299 0.000 0.942 680 T HN 0.468 nan 8.240 nan 0.000 0.439 681 L N 4.344 125.239 121.223 -0.547 0.000 2.272 681 L HA 0.444 4.694 4.340 -0.150 0.000 0.289 681 L C 0.022 176.303 176.870 -0.982 0.000 1.032 681 L CA -0.965 53.455 54.840 -0.701 0.000 0.810 681 L CB 0.708 42.356 42.059 -0.686 0.000 1.205 681 L HN 0.572 nan 8.230 nan 0.000 0.422 682 H N 4.165 122.924 119.070 -0.518 0.000 2.685 682 H HA 0.300 4.766 4.556 -0.149 0.000 0.286 682 H C -0.395 174.686 175.328 -0.412 0.000 1.102 682 H CA -0.488 55.311 56.048 -0.415 0.000 1.254 682 H CB 0.537 30.173 29.762 -0.211 0.000 1.397 682 H HN 0.273 nan 8.280 nan 0.000 0.473 683 F N 0.840 120.748 119.950 -0.070 0.000 2.406 683 F HA 0.065 4.501 4.527 -0.152 0.000 0.327 683 F C 1.996 177.676 175.800 -0.200 0.000 1.153 683 F CA -0.443 57.433 58.000 -0.207 0.000 1.218 683 F CB 0.762 39.515 39.000 -0.412 0.000 1.215 683 F HN 0.464 nan 8.300 nan 0.000 0.570 684 E N 0.466 120.656 120.200 -0.018 0.000 2.265 684 E HA -0.212 4.048 4.350 -0.150 0.000 0.196 684 E C 1.370 177.924 176.600 -0.077 0.000 0.996 684 E CA 1.156 57.532 56.400 -0.041 0.000 0.832 684 E CB -0.304 29.383 29.700 -0.021 0.000 0.756 684 E HN 0.676 nan 8.360 nan 0.000 0.491 685 N N -0.681 117.917 118.700 -0.170 0.000 2.521 685 N HA -0.041 4.610 4.740 -0.150 0.000 0.188 685 N C 1.258 176.730 175.510 -0.063 0.000 1.146 685 N CA 0.496 53.458 53.050 -0.147 0.000 0.893 685 N CB 0.491 38.823 38.487 -0.259 0.000 0.975 685 N HN 0.128 nan 8.380 nan 0.000 0.451 686 G N 0.156 108.943 108.800 -0.022 0.000 2.213 686 G HA2 -0.249 3.621 3.960 -0.150 0.000 0.236 686 G HA3 -0.249 3.621 3.960 -0.150 0.000 0.236 686 G C -0.235 174.687 174.900 0.036 0.000 0.991 686 G CA -0.247 44.856 45.100 0.005 0.000 0.629 686 G HN 0.401 nan 8.290 nan 0.000 0.517 687 N N 0.629 119.367 118.700 0.062 0.000 2.463 687 N HA 0.676 5.326 4.740 -0.150 0.000 0.270 687 N C -0.237 175.354 175.510 0.136 0.000 1.205 687 N CA 0.308 53.429 53.050 0.119 0.000 0.974 687 N CB 1.428 40.004 38.487 0.149 0.000 1.197 687 N HN 0.230 nan 8.380 nan 0.000 0.504 688 S N 0.318 116.071 115.700 0.088 0.000 2.548 688 S HA 0.548 4.929 4.470 -0.150 0.000 0.286 688 S C -1.092 173.489 174.600 -0.032 0.000 1.098 688 S CA -0.615 57.536 58.200 -0.082 0.000 0.930 688 S CB 1.813 64.989 63.200 -0.041 0.000 1.070 688 S HN 0.400 nan 8.310 nan 0.000 0.480 689 L N 3.180 124.294 121.223 -0.182 0.000 2.325 689 L HA 0.697 4.948 4.340 -0.150 0.000 0.281 689 L C -1.316 175.481 176.870 -0.121 0.000 1.004 689 L CA -0.427 54.392 54.840 -0.034 0.000 0.823 689 L CB 1.367 43.486 42.059 0.100 0.000 1.236 689 L HN 0.458 nan 8.230 nan 0.000 0.415 690 V N 6.674 126.554 119.914 -0.056 0.000 2.394 690 V HA 0.450 4.480 4.120 -0.150 0.000 0.282 690 V C 0.101 176.169 176.094 -0.044 0.000 1.031 690 V CA -0.345 61.917 62.300 -0.064 0.000 0.881 690 V CB 1.494 33.298 31.823 -0.031 0.000 0.982 690 V HN 0.590 nan 8.190 nan 0.000 0.451 691 I N 4.072 124.616 120.570 -0.043 0.000 2.359 691 I HA 0.354 4.434 4.170 -0.150 0.000 0.284 691 I C -0.470 175.642 176.117 -0.009 0.000 1.018 691 I CA -0.283 61.002 61.300 -0.025 0.000 1.173 691 I CB 1.125 39.129 38.000 0.007 0.000 1.326 691 I HN 0.481 nan 8.210 nan 0.000 0.462 692 D N 6.530 126.929 120.400 -0.003 0.000 2.317 692 D HA 0.455 5.005 4.640 -0.150 0.000 0.234 692 D C -0.119 176.191 176.300 0.016 0.000 1.112 692 D CA 0.019 54.025 54.000 0.010 0.000 0.840 692 D CB 2.111 42.919 40.800 0.013 0.000 1.078 692 D HN 0.597 nan 8.370 nan 0.000 0.486 693 A N 4.679 127.513 122.820 0.022 0.000 3.258 693 A HA 0.336 4.566 4.320 -0.150 0.000 0.318 693 A C -1.718 175.878 177.584 0.021 0.000 0.990 693 A CA -0.908 51.142 52.037 0.021 0.000 0.885 693 A CB 0.860 19.872 19.000 0.020 0.000 1.090 693 A HN 0.248 nan 8.150 nan 0.000 0.479 694 P HA -0.146 nan 4.420 nan 0.000 0.220 694 P C 0.685 177.994 177.300 0.014 0.000 1.148 694 P CA 1.233 64.345 63.100 0.021 0.000 0.803 694 P CB 0.211 31.922 31.700 0.019 0.000 0.782 695 N N -0.524 118.181 118.700 0.008 0.000 2.313 695 N HA 0.002 4.653 4.740 -0.150 0.000 0.207 695 N C 0.302 175.807 175.510 -0.008 0.000 1.141 695 N CA -0.246 52.803 53.050 -0.001 0.000 0.830 695 N CB -0.807 37.678 38.487 -0.004 0.000 1.008 695 N HN -0.092 nan 8.380 nan 0.000 0.481 696 N N 0.366 119.063 118.700 -0.005 0.000 2.492 696 N HA 0.059 4.709 4.740 -0.150 0.000 0.260 696 N C -0.548 174.947 175.510 -0.025 0.000 1.215 696 N CA 0.418 53.458 53.050 -0.018 0.000 0.923 696 N CB 0.647 39.123 38.487 -0.019 0.000 1.092 696 N HN 0.367 nan 8.380 nan 0.000 0.448 697 S N -0.010 115.669 115.700 -0.034 0.000 2.683 697 S HA 0.250 4.631 4.470 -0.150 0.000 0.269 697 S C 0.836 175.420 174.600 -0.025 0.000 1.165 697 S CA -0.427 57.753 58.200 -0.034 0.000 0.840 697 S CB 0.228 63.413 63.200 -0.026 0.000 1.169 697 S HN 0.374 nan 8.310 nan 0.000 0.490 698 T N 1.348 115.887 114.554 -0.024 0.000 2.759 698 T HA -0.057 4.203 4.350 -0.150 0.000 0.269 698 T C 1.190 175.936 174.700 0.077 0.000 1.042 698 T CA 2.311 64.409 62.100 -0.003 0.000 1.140 698 T CB -0.504 68.353 68.868 -0.018 0.000 0.864 698 T HN 0.670 nan 8.240 nan 0.000 0.455 699 E N 0.991 121.210 120.200 0.033 0.000 2.216 699 E HA 0.125 4.386 4.350 -0.150 0.000 0.192 699 E C 0.580 177.072 176.600 -0.180 0.000 0.973 699 E CA 0.321 56.720 56.400 -0.001 0.000 0.851 699 E CB -0.015 29.664 29.700 -0.035 0.000 0.804 699 E HN 0.522 nan 8.360 nan 0.000 0.477 700 N N 0.980 119.602 118.700 -0.130 0.000 3.034 700 N HA 0.113 4.763 4.740 -0.150 0.000 0.265 700 N C -0.612 174.792 175.510 -0.176 0.000 1.166 700 N CA -0.240 52.693 53.050 -0.196 0.000 1.081 700 N CB 0.179 38.612 38.487 -0.090 0.000 1.378 700 N HN 0.141 nan 8.380 nan 0.000 0.520 701 F N -1.646 118.175 119.950 -0.215 0.000 2.678 701 F HA 0.415 4.854 4.527 -0.146 0.000 0.305 701 F C -0.431 175.179 175.800 -0.318 0.000 1.090 701 F CA -0.930 56.891 58.000 -0.299 0.000 1.272 701 F CB -0.353 38.409 39.000 -0.396 0.000 1.060 701 F HN 0.020 nan 8.300 nan 0.000 0.576 702 Y N 1.832 122.061 120.300 -0.117 0.000 2.352 702 Y HA 0.519 4.979 4.550 -0.149 0.000 0.326 702 Y C 0.391 176.297 175.900 0.010 0.000 1.166 702 Y CA -1.860 56.235 58.100 -0.009 0.000 1.182 702 Y CB 0.996 39.397 38.460 -0.099 0.000 1.216 702 Y HN -0.113 nan 8.280 nan 0.000 0.474 703 I N 2.665 123.380 120.570 0.242 0.000 2.301 703 I HA 0.063 4.143 4.170 -0.150 0.000 0.292 703 I C 0.374 176.568 176.117 0.128 0.000 1.046 703 I CA 0.046 61.438 61.300 0.154 0.000 1.282 703 I CB 1.042 39.134 38.000 0.154 0.000 1.409 703 I HN 0.714 nan 8.210 nan 0.000 0.484 704 D N 3.743 124.190 120.400 0.078 0.000 2.183 704 D HA -0.042 4.508 4.640 -0.150 0.000 0.205 704 D C 0.529 176.856 176.300 0.044 0.000 0.962 704 D CA 0.918 54.942 54.000 0.039 0.000 0.849 704 D CB 0.538 41.343 40.800 0.010 0.000 0.978 704 D HN 0.605 nan 8.370 nan 0.000 0.488 705 S N -1.754 113.979 115.700 0.055 0.000 2.611 705 S HA 0.532 4.912 4.470 -0.150 0.000 0.268 705 S C -1.040 173.604 174.600 0.073 0.000 1.156 705 S CA -1.075 57.162 58.200 0.062 0.000 0.817 705 S CB 1.572 64.799 63.200 0.045 0.000 1.122 705 S HN 0.059 nan 8.310 nan 0.000 0.466 706 M N 2.040 121.693 119.600 0.089 0.000 2.421 706 M HA 0.624 5.015 4.480 -0.150 0.000 0.287 706 M C -1.586 174.788 176.300 0.124 0.000 1.183 706 M CA -0.160 55.199 55.300 0.098 0.000 0.916 706 M CB 2.203 34.879 32.600 0.126 0.000 1.701 706 M HN 1.199 nan 8.290 nan 0.000 0.470 707 S N 2.564 118.326 115.700 0.103 0.000 2.570 707 S HA 0.807 5.187 4.470 -0.150 0.000 0.286 707 S C -1.560 173.135 174.600 0.159 0.000 1.099 707 S CA -0.674 57.611 58.200 0.142 0.000 0.913 707 S CB 2.234 65.499 63.200 0.108 0.000 1.085 707 S HN 0.599 nan 8.310 nan 0.000 0.480 708 F N 2.100 122.055 119.950 0.009 0.000 2.553 708 F HA 0.485 4.923 4.527 -0.148 0.000 0.335 708 F C 0.117 175.914 175.800 -0.005 0.000 1.148 708 F CA -1.482 56.491 58.000 -0.045 0.000 0.963 708 F CB -0.068 38.854 39.000 -0.130 0.000 1.217 708 F HN 1.010 nan 8.300 nan 0.000 0.441 709 N N 4.043 122.958 118.700 0.359 0.000 2.714 709 N HA -0.214 4.436 4.740 -0.150 0.000 0.252 709 N C 1.060 176.613 175.510 0.072 0.000 1.014 709 N CA 0.843 53.972 53.050 0.131 0.000 0.735 709 N CB -0.838 37.641 38.487 -0.014 0.000 0.924 709 N HN 1.190 nan 8.380 nan 0.000 0.540 710 G N -1.677 107.180 108.800 0.094 0.000 2.284 710 G HA2 -0.272 3.599 3.960 -0.150 0.000 0.247 710 G HA3 -0.272 3.599 3.960 -0.150 0.000 0.247 710 G C 0.213 175.154 174.900 0.067 0.000 1.012 710 G CA 0.346 45.485 45.100 0.065 0.000 0.618 710 G HN 0.975 nan 8.290 nan 0.000 0.521 711 A N 0.439 123.308 122.820 0.081 0.000 2.289 711 A HA 0.579 4.810 4.320 -0.150 0.000 0.298 711 A C 0.169 177.829 177.584 0.127 0.000 1.208 711 A CA 0.497 52.583 52.037 0.081 0.000 0.845 711 A CB 0.492 19.526 19.000 0.056 0.000 1.125 711 A HN 0.523 nan 8.150 nan 0.000 0.517 712 D N 1.099 121.556 120.400 0.095 0.000 2.525 712 D HA -0.044 4.506 4.640 -0.150 0.000 0.235 712 D C -0.133 176.253 176.300 0.143 0.000 1.137 712 D CA 1.311 55.373 54.000 0.102 0.000 0.868 712 D CB 0.127 40.961 40.800 0.057 0.000 1.180 712 D HN 0.520 nan 8.370 nan 0.000 0.465 713 H N 2.778 121.880 119.070 0.055 0.000 2.887 713 H HA 0.202 4.667 4.556 -0.151 0.000 0.300 713 H C 0.235 175.578 175.328 0.024 0.000 1.038 713 H CA -0.193 55.883 56.048 0.046 0.000 1.352 713 H CB 0.819 30.629 29.762 0.080 0.000 1.473 713 H HN 0.490 nan 8.280 nan 0.000 0.503 714 T N 0.834 115.257 114.554 -0.217 0.000 3.040 714 T HA 0.199 4.459 4.350 -0.150 0.000 0.250 714 T C 0.631 175.223 174.700 -0.178 0.000 1.058 714 T CA -0.337 61.694 62.100 -0.115 0.000 0.988 714 T CB 0.557 69.394 68.868 -0.051 0.000 0.993 714 T HN 0.330 nan 8.240 nan 0.000 0.519 715 K N 2.007 122.132 120.400 -0.458 0.000 2.355 715 K HA 0.214 4.444 4.320 -0.150 0.000 0.270 715 K C 0.048 176.557 176.600 -0.152 0.000 1.003 715 K CA -0.043 56.014 56.287 -0.384 0.000 0.957 715 K CB 0.315 32.351 32.500 -0.774 0.000 0.939 715 K HN 0.244 nan 8.250 nan 0.000 0.482 716 N N 1.532 120.252 118.700 0.034 0.000 2.375 716 N HA 0.025 4.675 4.740 -0.150 0.000 0.220 716 N C -1.282 174.395 175.510 0.278 0.000 1.170 716 N CA -0.116 53.029 53.050 0.158 0.000 0.833 716 N CB -0.065 38.502 38.487 0.134 0.000 1.069 716 N HN 0.414 nan 8.380 nan 0.000 0.479 717 Y N -2.450 117.944 120.300 0.157 0.000 2.609 717 Y HA 0.572 5.032 4.550 -0.150 0.000 0.336 717 Y C -1.699 174.338 175.900 0.228 0.000 1.129 717 Y CA -1.512 56.684 58.100 0.159 0.000 1.040 717 Y CB 0.921 39.431 38.460 0.083 0.000 1.310 717 Y HN -0.297 nan 8.280 nan 0.000 0.460 718 L N 2.904 124.268 121.223 0.235 0.000 2.342 718 L HA 0.693 4.943 4.340 -0.150 0.000 0.271 718 L C -0.366 176.682 176.870 0.297 0.000 1.008 718 L CA -1.137 53.776 54.840 0.122 0.000 0.818 718 L CB 2.159 44.101 42.059 -0.195 0.000 1.296 718 L HN 0.675 nan 8.230 nan 0.000 0.427 719 R N -0.101 120.564 120.500 0.275 0.000 2.368 719 R HA 0.196 4.446 4.340 -0.150 0.000 0.302 719 R C 0.557 176.982 176.300 0.209 0.000 1.002 719 R CA -0.649 55.606 56.100 0.258 0.000 0.929 719 R CB 1.385 31.822 30.300 0.228 0.000 1.073 719 R HN 0.540 nan 8.270 nan 0.000 0.464 720 H N 2.332 121.463 119.070 0.102 0.000 2.321 720 H HA -0.213 4.252 4.556 -0.150 0.000 0.295 720 H C 0.926 176.134 175.328 -0.199 0.000 1.102 720 H CA 2.424 58.464 56.048 -0.015 0.000 1.266 720 H CB 0.482 30.167 29.762 -0.128 0.000 1.363 720 H HN 0.637 nan 8.280 nan 0.000 0.492 721 E N 0.190 120.377 120.200 -0.022 0.000 2.110 721 E HA -0.137 4.123 4.350 -0.150 0.000 0.193 721 E C 1.930 178.525 176.600 -0.008 0.000 0.988 721 E CA 1.343 57.724 56.400 -0.031 0.000 0.804 721 E CB -0.106 29.616 29.700 0.035 0.000 0.745 721 E HN 0.613 nan 8.360 nan 0.000 0.458 722 D N 0.218 120.640 120.400 0.037 0.000 2.097 722 D HA -0.104 4.446 4.640 -0.150 0.000 0.197 722 D C 2.059 178.455 176.300 0.160 0.000 0.984 722 D CA 0.754 54.793 54.000 0.065 0.000 0.826 722 D CB -0.278 40.590 40.800 0.114 0.000 0.973 722 D HN 0.165 nan 8.370 nan 0.000 0.460 723 L N -0.018 121.283 121.223 0.130 0.000 2.042 723 L HA -0.190 4.060 4.340 -0.150 0.000 0.210 723 L C 2.455 179.336 176.870 0.017 0.000 1.076 723 L CA 0.865 55.768 54.840 0.106 0.000 0.749 723 L CB -0.499 41.499 42.059 -0.101 0.000 0.893 723 L HN -0.033 nan 8.230 nan 0.000 0.432 724 F N 0.906 120.558 119.950 -0.496 0.000 2.333 724 F HA -0.172 4.266 4.527 -0.148 0.000 0.300 724 F C 2.349 178.029 175.800 -0.201 0.000 1.083 724 F CA 1.089 58.719 58.000 -0.616 0.000 1.395 724 F CB -0.598 38.084 39.000 -0.531 0.000 1.056 724 F HN 0.045 nan 8.300 nan 0.000 0.529 725 K N -0.345 120.110 120.400 0.091 0.000 2.296 725 K HA 0.218 4.448 4.320 -0.150 0.000 0.200 725 K C 1.198 177.873 176.600 0.125 0.000 1.048 725 K CA 0.556 56.888 56.287 0.076 0.000 0.966 725 K CB -0.349 32.169 32.500 0.030 0.000 0.754 725 K HN 0.318 nan 8.250 nan 0.000 0.466 726 G N -0.166 108.769 108.800 0.225 0.000 2.760 726 G HA2 0.095 3.965 3.960 -0.150 0.000 0.246 726 G HA3 0.095 3.965 3.960 -0.150 0.000 0.246 726 G C 0.211 175.243 174.900 0.220 0.000 1.359 726 G CA -0.491 44.767 45.100 0.264 0.000 0.861 726 G HN 0.633 nan 8.290 nan 0.000 0.541 727 G N -2.709 106.196 108.800 0.176 0.000 2.358 727 G HA2 0.530 4.401 3.960 -0.150 0.000 0.198 727 G HA3 0.530 4.401 3.960 -0.150 0.000 0.198 727 G C -0.238 174.753 174.900 0.150 0.000 1.220 727 G CA 0.593 45.789 45.100 0.159 0.000 1.187 727 G HN 2.269 nan 8.290 nan 0.000 0.544 728 T N 0.646 115.310 114.554 0.185 0.000 2.921 728 T HA 0.639 4.899 4.350 -0.150 0.000 0.297 728 T C -0.332 174.430 174.700 0.104 0.000 1.013 728 T CA -0.256 61.908 62.100 0.106 0.000 0.990 728 T CB 1.410 70.325 68.868 0.078 0.000 1.023 728 T HN 0.614 nan 8.240 nan 0.000 0.447 729 I N 2.773 123.321 120.570 -0.037 0.000 2.377 729 I HA 0.505 4.585 4.170 -0.150 0.000 0.293 729 I C -0.120 175.974 176.117 -0.039 0.000 0.987 729 I CA -0.917 60.311 61.300 -0.121 0.000 1.185 729 I CB 1.844 39.653 38.000 -0.318 0.000 1.341 729 I HN 0.299 nan 8.210 nan 0.000 0.455 730 K N 5.507 125.905 120.400 -0.005 0.000 2.307 730 K HA 0.575 4.805 4.320 -0.150 0.000 0.263 730 K C -1.453 175.158 176.600 0.018 0.000 0.973 730 K CA -0.420 55.876 56.287 0.015 0.000 0.846 730 K CB 1.451 33.971 32.500 0.034 0.000 1.100 730 K HN 0.355 nan 8.250 nan 0.000 0.438 731 V N 4.029 123.955 119.914 0.019 0.000 2.350 731 V HA 0.274 4.305 4.120 -0.150 0.000 0.285 731 V C -0.888 175.225 176.094 0.031 0.000 1.014 731 V CA -1.063 61.255 62.300 0.031 0.000 0.831 731 V CB 1.408 33.251 31.823 0.033 0.000 1.000 731 V HN 0.744 nan 8.190 nan 0.000 0.433 732 D N 6.106 126.528 120.400 0.036 0.000 2.352 732 D HA 0.327 4.877 4.640 -0.150 0.000 0.245 732 D C 0.101 176.419 176.300 0.029 0.000 1.224 732 D CA -0.153 53.863 54.000 0.027 0.000 0.879 732 D CB 1.090 41.905 40.800 0.025 0.000 1.057 732 D HN 0.248 nan 8.370 nan 0.000 0.491 733 M N 0.962 120.573 119.600 0.018 0.000 2.288 733 M HA 0.350 4.740 4.480 -0.150 0.000 0.334 733 M C 0.529 176.827 176.300 -0.003 0.000 1.150 733 M CA -0.420 54.887 55.300 0.013 0.000 1.118 733 M CB 1.226 33.825 32.600 -0.002 0.000 1.501 733 M HN 0.206 nan 8.290 nan 0.000 0.462 734 S N 0.753 116.450 115.700 -0.005 0.000 2.596 734 S HA 0.475 4.855 4.470 -0.150 0.000 0.270 734 S C 0.102 174.672 174.600 -0.049 0.000 1.155 734 S CA -0.670 57.516 58.200 -0.023 0.000 0.827 734 S CB 1.128 64.321 63.200 -0.011 0.000 1.130 734 S HN 0.762 nan 8.310 nan 0.000 0.467 735 N N 1.776 120.432 118.700 -0.075 0.000 2.280 735 N HA 0.154 4.804 4.740 -0.150 0.000 0.192 735 N C -0.100 175.400 175.510 -0.017 0.000 1.109 735 N CA -0.078 52.899 53.050 -0.122 0.000 0.855 735 N CB -0.058 38.351 38.487 -0.130 0.000 0.974 735 N HN 0.461 nan 8.380 nan 0.000 0.482 736 R N 0.780 121.233 120.500 -0.078 0.000 2.670 736 R HA 0.466 4.716 4.340 -0.150 0.000 0.289 736 R C -2.669 173.261 176.300 -0.616 0.000 0.965 736 R CA -1.948 53.967 56.100 -0.309 0.000 0.899 736 R CB 1.677 31.832 30.300 -0.242 0.000 1.173 736 R HN 0.103 nan 8.270 nan 0.000 0.456 737 P HA -0.041 nan 4.420 nan 0.000 0.268 737 P C -0.874 176.068 177.300 -0.597 0.000 1.205 737 P CA -0.198 62.242 63.100 -1.100 0.000 0.771 737 P CB 0.551 31.543 31.700 -1.181 0.000 0.858 738 N N 3.140 121.627 118.700 -0.355 0.000 2.500 738 N HA 0.072 4.722 4.740 -0.150 0.000 0.236 738 N C 0.577 175.876 175.510 -0.352 0.000 1.022 738 N CA -0.296 52.595 53.050 -0.266 0.000 0.935 738 N CB -0.150 38.284 38.487 -0.089 0.000 1.147 738 N HN 0.091 nan 8.380 nan 0.000 0.512 739 L N 2.954 123.829 121.223 -0.579 0.000 2.610 739 L HA 0.119 4.369 4.340 -0.150 0.000 0.232 739 L C 1.226 177.949 176.870 -0.245 0.000 1.149 739 L CA 0.619 54.962 54.840 -0.828 0.000 0.872 739 L CB -0.871 40.738 42.059 -0.751 0.000 0.992 739 L HN 0.491 nan 8.230 nan 0.000 0.447 740 N N -0.835 117.804 118.700 -0.101 0.000 2.454 740 N HA 0.035 4.685 4.740 -0.150 0.000 0.177 740 N C 0.908 176.470 175.510 0.086 0.000 1.049 740 N CA 0.141 53.198 53.050 0.012 0.000 0.887 740 N CB 0.249 38.725 38.487 -0.018 0.000 1.095 740 N HN 0.171 nan 8.380 nan 0.000 0.446 741 R N 0.627 121.185 120.500 0.096 0.000 2.401 741 R HA 0.281 4.531 4.340 -0.150 0.000 0.299 741 R C 0.315 176.719 176.300 0.173 0.000 1.064 741 R CA 0.821 56.990 56.100 0.116 0.000 1.000 741 R CB -0.039 30.323 30.300 0.104 0.000 0.973 741 R HN 0.292 nan 8.270 nan 0.000 0.438 742 G N 2.971 111.842 108.800 0.118 0.000 2.198 742 G HA2 -0.287 3.583 3.960 -0.150 0.000 0.257 742 G HA3 -0.287 3.583 3.960 -0.150 0.000 0.257 742 G C 0.487 175.458 174.900 0.119 0.000 1.042 742 G CA 0.631 45.795 45.100 0.107 0.000 0.791 742 G HN 0.768 nan 8.290 nan 0.000 0.502 743 T N -3.112 111.517 114.554 0.124 0.000 3.001 743 T HA 0.379 4.640 4.350 -0.150 0.000 0.251 743 T C 0.993 175.743 174.700 0.083 0.000 1.040 743 T CA 0.599 62.775 62.100 0.125 0.000 0.985 743 T CB 0.582 69.552 68.868 0.169 0.000 1.011 743 T HN 0.510 nan 8.240 nan 0.000 0.509 744 K N 1.799 122.237 120.400 0.064 0.000 2.154 744 K HA 0.254 4.485 4.320 -0.150 0.000 0.264 744 K C 1.268 177.894 176.600 0.043 0.000 1.008 744 K CA -0.577 55.739 56.287 0.048 0.000 0.937 744 K CB 0.974 33.496 32.500 0.036 0.000 1.002 744 K HN -0.088 nan 8.250 nan 0.000 0.469 745 E N 2.741 122.963 120.200 0.036 0.000 2.130 745 E HA -0.281 3.979 4.350 -0.150 0.000 0.196 745 E C 1.292 177.917 176.600 0.042 0.000 0.998 745 E CA 1.951 58.370 56.400 0.031 0.000 0.806 745 E CB 0.201 29.914 29.700 0.022 0.000 0.738 745 E HN 0.750 nan 8.360 nan 0.000 0.459 746 E N -0.368 119.859 120.200 0.044 0.000 2.418 746 E HA -0.138 4.122 4.350 -0.150 0.000 0.197 746 E C 0.963 177.612 176.600 0.082 0.000 1.026 746 E CA 0.972 57.408 56.400 0.060 0.000 0.862 746 E CB -0.011 29.714 29.700 0.041 0.000 0.799 746 E HN 0.102 nan 8.360 nan 0.000 0.518 747 D N 0.397 120.835 120.400 0.064 0.000 2.349 747 D HA 0.035 4.585 4.640 -0.150 0.000 0.215 747 D C 0.388 176.774 176.300 0.144 0.000 1.016 747 D CA 0.419 54.458 54.000 0.064 0.000 0.870 747 D CB 0.154 40.973 40.800 0.032 0.000 0.917 747 D HN 0.232 nan 8.370 nan 0.000 0.524 748 M N 1.466 121.132 119.600 0.108 0.000 2.235 748 M HA 0.275 4.665 4.480 -0.150 0.000 0.351 748 M C -2.110 174.160 176.300 -0.050 0.000 1.178 748 M CA -2.016 53.288 55.300 0.006 0.000 1.143 748 M CB 0.298 32.886 32.600 -0.020 0.000 1.530 748 M HN -0.276 nan 8.290 nan 0.000 0.461 749 P HA 0.099 nan 4.420 nan 0.000 0.277 749 P C -0.796 176.370 177.300 -0.223 0.000 1.276 749 P CA -0.450 62.323 63.100 -0.544 0.000 0.788 749 P CB 0.227 31.546 31.700 -0.636 0.000 1.114 750 Y N 0.330 120.485 120.300 -0.241 0.000 2.712 750 Y HA 0.151 4.609 4.550 -0.153 0.000 0.333 750 Y C -0.297 175.668 175.900 0.108 0.000 1.225 750 Y CA 1.255 59.336 58.100 -0.032 0.000 1.499 750 Y CB 0.060 38.518 38.460 -0.003 0.000 1.288 750 Y HN 0.169 nan 8.280 nan 0.000 0.575 751 S N 7.297 122.623 115.700 -0.623 0.000 2.547 751 S HA 0.171 4.551 4.470 -0.150 0.000 0.281 751 S C 0.064 174.218 174.600 -0.743 0.000 1.118 751 S CA -0.816 57.062 58.200 -0.538 0.000 0.947 751 S CB 1.062 64.126 63.200 -0.227 0.000 1.053 751 S HN 0.755 nan 8.310 nan 0.000 0.482 752 F N 3.805 123.418 119.950 -0.561 0.000 2.095 752 F HA -0.166 4.272 4.527 -0.148 0.000 0.298 752 F C 2.516 178.255 175.800 -0.101 0.000 1.104 752 F CA 2.322 60.228 58.000 -0.156 0.000 1.232 752 F CB -0.744 38.357 39.000 0.169 0.000 0.987 752 F HN 0.664 nan 8.300 nan 0.000 0.475 753 S N -0.488 115.084 115.700 -0.213 0.000 2.419 753 S HA -0.191 4.189 4.470 -0.150 0.000 0.233 753 S C 1.931 176.392 174.600 -0.232 0.000 1.016 753 S CA 1.083 59.116 58.200 -0.278 0.000 0.974 753 S CB -0.653 62.457 63.200 -0.150 0.000 0.786 753 S HN 0.492 nan 8.310 nan 0.000 0.492 754 K N 1.091 121.366 120.400 -0.208 0.000 2.148 754 K HA -0.047 4.183 4.320 -0.150 0.000 0.204 754 K C 2.380 178.912 176.600 -0.114 0.000 1.050 754 K CA 1.330 57.526 56.287 -0.151 0.000 0.942 754 K CB -0.113 32.301 32.500 -0.144 0.000 0.724 754 K HN 0.635 nan 8.250 nan 0.000 0.446 755 E N 1.354 121.482 120.200 -0.119 0.000 2.028 755 E HA -0.111 4.150 4.350 -0.150 0.000 0.190 755 E C 1.239 177.820 176.600 -0.032 0.000 0.984 755 E CA 0.599 57.018 56.400 0.030 0.000 0.800 755 E CB -0.154 29.719 29.700 0.288 0.000 0.758 755 E HN 0.126 nan 8.360 nan 0.000 0.448 756 L N 0.000 121.086 121.223 -0.228 0.000 2.949 756 L HA 0.000 4.250 4.340 -0.150 0.000 0.249 756 L CA 0.000 54.693 54.840 -0.246 0.000 0.813 756 L CB 0.000 41.762 42.059 -0.495 0.000 0.961 756 L HN 0.000 nan 8.230 nan 0.000 0.502