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 1gz7_1_A DATA FIRST_RESID 1 DATA SEQUENCE APTATLANGD TITGLNAIVN EKFLGIPFAE PPVGTLRFKP PVPYSASLNG DATA SEQUENCE QQFTSYGPSc MQMNPMGSFE DTLPKNALDL VLQSKIFQVV LPNDEDcLTI DATA SEQUENCE NVIRPPGTRA SAGLPVMLWI FGGGFELGGS SLFPGDQMVA KSVLMGKPVI DATA SEQUENCE HVSMNYRVAS WGFLAGPDIQ NEGSGNAGLH DQRLAMQWVA DNIAGFGGDP DATA SEQUENCE SKVTIYGESA GSMSTFVHLV WNDGDNTYNG KPLFRAAIMQ SGCMVPSDPV DATA SEQUENCE DGTYGTEIYN QVVASAGcGS ASDKLAcLRG LSQDTLYQAT SDTPGVLAYP DATA SEQUENCE SLRLSYLPRP DGTFITDDMY ALVRDGKYAH VPVIIGDQND EGTLFGLSSL DATA SEQUENCE NVTTDAQARA YFKQSFIHAS DAEIDTLMAA YTSDITQGSP FDTGIFNAIT DATA SEQUENCE PQFKRISALL GDLAFTLARR YFLNYYQGGT KYSFLSKQLS GLPVLGTFHG DATA SEQUENCE NDIIWQDYLV GSGSVIYNNA FIAFANDLDP NKAGLWTNWP TYTSSSQSGN DATA SEQUENCE NLMQINGLGL YTGKDNFRPD AYSALFSNPP SFFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.580 177.584 -0.007 0.000 1.274 1 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 1 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 2 P HA 0.466 nan 4.420 nan 0.000 0.271 2 P C -0.114 177.273 177.300 0.145 0.000 1.216 2 P CA 0.358 63.483 63.100 0.041 0.000 0.776 2 P CB 1.056 32.748 31.700 -0.015 0.000 0.881 3 T N -0.996 113.725 114.554 0.279 0.000 2.916 3 T HA 0.835 5.053 4.350 -0.219 0.000 0.292 3 T C -0.767 174.060 174.700 0.212 0.000 1.064 3 T CA -0.839 61.451 62.100 0.316 0.000 1.011 3 T CB 1.976 70.925 68.868 0.135 0.000 1.152 3 T HN 0.633 nan 8.240 nan 0.000 0.510 4 A N 1.092 123.885 122.820 -0.045 0.000 2.609 4 A HA 0.900 5.088 4.320 -0.219 0.000 0.291 4 A C -0.180 177.148 177.584 -0.428 0.000 1.096 4 A CA -0.745 50.968 52.037 -0.539 0.000 0.684 4 A CB 1.317 19.346 19.000 -1.619 0.000 1.282 4 A HN 1.516 nan 8.150 nan 0.000 0.412 5 T N -0.414 113.867 114.554 -0.455 0.000 2.885 5 T HA 0.739 4.957 4.350 -0.219 0.000 0.285 5 T C -0.132 174.408 174.700 -0.267 0.000 1.019 5 T CA -0.614 61.333 62.100 -0.255 0.000 1.010 5 T CB 0.772 69.553 68.868 -0.145 0.000 1.022 5 T HN 0.561 nan 8.240 nan 0.000 0.466 6 L N 1.596 122.747 121.223 -0.120 0.000 2.472 6 L HA 0.581 4.790 4.340 -0.219 0.000 0.256 6 L C 2.288 179.115 176.870 -0.071 0.000 1.111 6 L CA -1.069 53.737 54.840 -0.058 0.000 0.800 6 L CB 0.170 42.258 42.059 0.047 0.000 1.286 6 L HN 0.920 nan 8.230 nan 0.000 0.479 7 A N 1.165 123.927 122.820 -0.096 0.000 1.903 7 A HA -0.255 3.934 4.320 -0.219 0.000 0.219 7 A C 1.597 179.155 177.584 -0.042 0.000 1.191 7 A CA 2.500 54.483 52.037 -0.089 0.000 0.638 7 A CB -1.063 17.872 19.000 -0.109 0.000 0.823 7 A HN 0.950 nan 8.150 nan 0.000 0.451 8 N N -1.558 117.134 118.700 -0.013 0.000 2.461 8 N HA 0.305 4.913 4.740 -0.219 0.000 0.188 8 N C 0.977 176.487 175.510 -0.000 0.000 1.134 8 N CA 1.331 54.382 53.050 0.002 0.000 0.878 8 N CB -0.117 38.385 38.487 0.025 0.000 0.972 8 N HN 0.919 nan 8.380 nan 0.000 0.456 9 G N -0.845 107.947 108.800 -0.014 0.000 2.217 9 G HA2 -0.266 3.563 3.960 -0.219 0.000 0.246 9 G HA3 -0.266 3.563 3.960 -0.219 0.000 0.246 9 G C -0.506 174.392 174.900 -0.003 0.000 0.990 9 G CA 0.061 45.151 45.100 -0.016 0.000 0.627 9 G HN 0.436 nan 8.290 nan 0.000 0.522 10 D N 1.420 121.832 120.400 0.020 0.000 2.449 10 D HA 0.422 4.931 4.640 -0.219 0.000 0.236 10 D C 0.615 176.935 176.300 0.034 0.000 1.149 10 D CA 1.006 55.034 54.000 0.046 0.000 0.878 10 D CB 0.784 41.638 40.800 0.089 0.000 1.198 10 D HN 0.147 nan 8.370 nan 0.000 0.446 11 T N 2.201 116.786 114.554 0.052 0.000 2.794 11 T HA 0.587 4.806 4.350 -0.219 0.000 0.280 11 T C 0.381 175.154 174.700 0.121 0.000 0.987 11 T CA -0.648 61.481 62.100 0.048 0.000 0.993 11 T CB 0.537 69.428 68.868 0.039 0.000 0.939 11 T HN 0.275 nan 8.240 nan 0.000 0.449 12 I N -0.501 120.163 120.570 0.157 0.000 2.892 12 I HA 0.777 4.816 4.170 -0.219 0.000 0.306 12 I C -0.570 175.763 176.117 0.360 0.000 1.078 12 I CA -0.898 60.596 61.300 0.324 0.000 1.032 12 I CB 2.458 40.766 38.000 0.512 0.000 1.229 12 I HN 0.330 nan 8.210 nan 0.000 0.435 13 T N 2.634 117.391 114.554 0.337 0.000 2.823 13 T HA 0.673 4.892 4.350 -0.219 0.000 0.279 13 T C 0.212 174.972 174.700 0.100 0.000 0.998 13 T CA -0.419 61.807 62.100 0.210 0.000 0.994 13 T CB 1.674 70.585 68.868 0.072 0.000 0.960 13 T HN 0.967 nan 8.240 nan 0.000 0.448 14 G N 1.018 109.640 108.800 -0.297 0.000 2.990 14 G HA2 0.688 4.517 3.960 -0.219 0.000 0.208 14 G HA3 0.688 4.517 3.960 -0.219 0.000 0.208 14 G C -1.446 173.200 174.900 -0.424 0.000 1.334 14 G CA -0.608 44.012 45.100 -0.801 0.000 1.024 14 G HN 0.634 nan 8.290 nan 0.000 0.574 15 L N 0.209 121.181 121.223 -0.417 0.000 2.356 15 L HA 0.526 4.734 4.340 -0.219 0.000 0.277 15 L C -0.611 176.158 176.870 -0.168 0.000 0.996 15 L CA -0.975 53.733 54.840 -0.219 0.000 0.822 15 L CB 1.806 43.766 42.059 -0.166 0.000 1.256 15 L HN 0.422 nan 8.230 nan 0.000 0.413 16 N N 4.138 122.775 118.700 -0.106 0.000 2.415 16 N HA 0.262 4.871 4.740 -0.219 0.000 0.250 16 N C 0.089 175.572 175.510 -0.046 0.000 1.127 16 N CA 0.400 53.413 53.050 -0.061 0.000 0.945 16 N CB 1.459 39.923 38.487 -0.038 0.000 1.196 16 N HN 0.758 nan 8.380 nan 0.000 0.499 17 A N 4.449 127.247 122.820 -0.036 0.000 2.411 17 A HA 0.294 4.483 4.320 -0.219 0.000 0.251 17 A C 1.416 178.995 177.584 -0.009 0.000 1.317 17 A CA -0.250 51.773 52.037 -0.024 0.000 0.904 17 A CB -0.777 18.210 19.000 -0.021 0.000 0.993 17 A HN 0.905 nan 8.150 nan 0.000 0.504 18 I N -2.742 117.824 120.570 -0.007 0.000 4.713 18 I HA -0.412 3.626 4.170 -0.219 0.000 0.044 18 I C 1.928 178.049 176.117 0.007 0.000 0.627 18 I CA 1.918 63.218 61.300 -0.000 0.000 0.714 18 I CB -1.220 36.780 38.000 -0.000 0.000 0.668 18 I HN 0.357 nan 8.210 nan 0.000 0.156 19 V N -0.346 119.572 119.914 0.008 0.000 3.306 19 V HA 0.232 4.221 4.120 -0.219 0.000 0.264 19 V C 0.646 176.751 176.094 0.019 0.000 1.149 19 V CA 1.575 63.883 62.300 0.012 0.000 1.143 19 V CB -0.648 31.180 31.823 0.009 0.000 0.767 19 V HN 0.764 nan 8.190 nan 0.000 0.476 20 N N -0.819 117.893 118.700 0.020 0.000 3.227 20 N HA 0.316 4.924 4.740 -0.219 0.000 0.241 20 N C -1.631 173.899 175.510 0.033 0.000 1.480 20 N CA -0.818 52.254 53.050 0.037 0.000 0.886 20 N CB 1.650 40.162 38.487 0.041 0.000 1.406 20 N HN 0.259 nan 8.380 nan 0.000 0.514 21 E N 0.208 120.447 120.200 0.066 0.000 2.183 21 E HA 0.404 4.623 4.350 -0.219 0.000 0.271 21 E C -1.158 175.485 176.600 0.071 0.000 0.919 21 E CA -0.619 55.808 56.400 0.046 0.000 0.781 21 E CB 2.263 32.030 29.700 0.111 0.000 1.140 21 E HN 0.297 nan 8.360 nan 0.000 0.402 22 K N 2.252 122.609 120.400 -0.072 0.000 2.371 22 K HA 0.479 4.667 4.320 -0.219 0.000 0.251 22 K C -1.199 175.278 176.600 -0.204 0.000 0.934 22 K CA -0.736 55.535 56.287 -0.028 0.000 0.798 22 K CB 1.558 34.015 32.500 -0.070 0.000 1.204 22 K HN 0.317 nan 8.250 nan 0.000 0.427 23 F N 3.224 123.238 119.950 0.107 0.000 2.430 23 F HA 0.366 4.761 4.527 -0.221 0.000 0.362 23 F C -0.416 175.415 175.800 0.052 0.000 1.103 23 F CA -0.703 57.402 58.000 0.175 0.000 1.045 23 F CB 0.735 39.960 39.000 0.375 0.000 1.276 23 F HN 0.106 nan 8.300 nan 0.000 0.444 24 L N 1.963 123.251 121.223 0.108 0.000 2.331 24 L HA 0.731 4.939 4.340 -0.219 0.000 0.275 24 L C 0.984 177.923 176.870 0.115 0.000 1.022 24 L CA -1.051 53.761 54.840 -0.046 0.000 0.812 24 L CB 1.632 43.463 42.059 -0.380 0.000 1.257 24 L HN 0.793 nan 8.230 nan 0.000 0.435 25 G N 2.673 111.519 108.800 0.077 0.000 2.221 25 G HA2 -0.259 3.570 3.960 -0.219 0.000 0.265 25 G HA3 -0.259 3.570 3.960 -0.219 0.000 0.265 25 G C -0.076 174.899 174.900 0.126 0.000 1.041 25 G CA -0.285 44.897 45.100 0.137 0.000 0.807 25 G HN 0.481 nan 8.290 nan 0.000 0.502 26 I N 2.263 122.759 120.570 -0.122 0.000 2.452 26 I HA 0.213 4.252 4.170 -0.219 0.000 0.287 26 I C -1.391 174.557 176.117 -0.283 0.000 1.079 26 I CA -2.029 59.015 61.300 -0.426 0.000 1.387 26 I CB 0.960 38.612 38.000 -0.579 0.000 1.404 26 I HN -0.016 nan 8.210 nan 0.000 0.522 27 P HA 0.025 nan 4.420 nan 0.000 0.276 27 P C -0.227 176.869 177.300 -0.339 0.000 1.243 27 P CA 0.010 62.847 63.100 -0.439 0.000 0.768 27 P CB 0.483 31.704 31.700 -0.798 0.000 0.856 28 F N 1.378 121.140 119.950 -0.314 0.000 2.682 28 F HA 0.740 5.135 4.527 -0.220 0.000 0.308 28 F C 0.014 175.840 175.800 0.042 0.000 1.093 28 F CA -0.858 57.037 58.000 -0.175 0.000 1.244 28 F CB 0.262 39.004 39.000 -0.431 0.000 1.052 28 F HN 0.354 nan 8.300 nan 0.000 0.573 29 A N 0.083 122.697 122.820 -0.344 0.000 2.612 29 A HA 0.498 4.686 4.320 -0.219 0.000 0.293 29 A C -0.992 176.594 177.584 0.004 0.000 1.075 29 A CA -0.919 51.039 52.037 -0.132 0.000 0.680 29 A CB 0.804 19.604 19.000 -0.333 0.000 1.279 29 A HN 0.250 nan 8.150 nan 0.000 0.411 30 E N 1.151 121.430 120.200 0.131 0.000 2.392 30 E HA 0.276 4.495 4.350 -0.219 0.000 0.264 30 E C -2.296 174.318 176.600 0.022 0.000 1.024 30 E CA -1.315 55.179 56.400 0.157 0.000 0.903 30 E CB 0.206 29.960 29.700 0.090 0.000 0.963 30 E HN 0.285 nan 8.360 nan 0.000 0.432 31 P HA -0.038 nan 4.420 nan 0.000 0.261 31 P C -2.228 175.051 177.300 -0.034 0.000 1.183 31 P CA -0.610 62.469 63.100 -0.034 0.000 0.761 31 P CB 0.065 31.758 31.700 -0.012 0.000 0.785 32 P HA -0.005 nan 4.420 nan 0.000 0.228 32 P C -0.156 177.108 177.300 -0.060 0.000 1.748 32 P CA 0.115 63.184 63.100 -0.052 0.000 0.909 32 P CB -0.194 31.476 31.700 -0.049 0.000 1.882 33 V N -3.021 116.866 119.914 -0.044 0.000 2.973 33 V HA 0.783 4.771 4.120 -0.219 0.000 0.314 33 V C 1.326 177.396 176.094 -0.040 0.000 1.066 33 V CA 0.209 62.486 62.300 -0.039 0.000 1.021 33 V CB 0.432 32.242 31.823 -0.020 0.000 1.076 33 V HN 0.489 nan 8.190 nan 0.000 0.462 34 G N 1.834 110.615 108.800 -0.033 0.000 2.692 34 G HA2 -0.466 3.363 3.960 -0.219 0.000 0.339 34 G HA3 -0.466 3.363 3.960 -0.219 0.000 0.339 34 G C 1.181 176.064 174.900 -0.028 0.000 1.226 34 G CA 1.798 46.887 45.100 -0.019 0.000 0.979 34 G HN 1.694 nan 8.290 nan 0.000 0.549 35 T N 0.706 115.258 114.554 -0.004 0.000 2.849 35 T HA 0.067 4.286 4.350 -0.219 0.000 0.270 35 T C 2.316 177.015 174.700 -0.001 0.000 1.066 35 T CA 1.913 64.020 62.100 0.011 0.000 1.130 35 T CB -0.265 68.614 68.868 0.018 0.000 0.864 35 T HN 0.380 nan 8.240 nan 0.000 0.481 36 L N 0.373 121.580 121.223 -0.027 0.000 2.591 36 L HA 0.258 4.466 4.340 -0.219 0.000 0.228 36 L C 1.205 178.018 176.870 -0.095 0.000 1.133 36 L CA -0.147 54.671 54.840 -0.035 0.000 0.880 36 L CB -0.088 41.956 42.059 -0.025 0.000 1.033 36 L HN 0.018 nan 8.230 nan 0.000 0.450 37 R N 0.094 120.472 120.500 -0.204 0.000 2.570 37 R HA 0.022 4.230 4.340 -0.219 0.000 0.277 37 R C 0.278 176.268 176.300 -0.518 0.000 1.039 37 R CA 0.165 55.938 56.100 -0.545 0.000 1.065 37 R CB 0.201 29.945 30.300 -0.925 0.000 0.964 37 R HN 0.047 nan 8.270 nan 0.000 0.428 38 F N -1.544 118.441 119.950 0.058 0.000 2.705 38 F HA -0.351 4.042 4.527 -0.223 0.000 0.413 38 F C 0.277 176.083 175.800 0.010 0.000 0.588 38 F CA 0.951 58.970 58.000 0.032 0.000 1.187 38 F CB -1.480 37.540 39.000 0.033 0.000 1.737 38 F HN 0.495 nan 8.300 nan 0.000 0.285 39 K N 2.137 122.595 120.400 0.097 0.000 2.106 39 K HA 0.441 4.629 4.320 -0.219 0.000 0.246 39 K C -2.169 174.416 176.600 -0.024 0.000 0.987 39 K CA -1.741 54.569 56.287 0.038 0.000 0.904 39 K CB 0.642 33.156 32.500 0.022 0.000 1.071 39 K HN -0.196 nan 8.250 nan 0.000 0.453 40 P HA 0.052 nan 4.420 nan 0.000 0.269 40 P C -2.543 174.723 177.300 -0.057 0.000 1.215 40 P CA -1.016 61.967 63.100 -0.195 0.000 0.780 40 P CB -0.263 31.141 31.700 -0.492 0.000 0.898 41 P HA 0.061 nan 4.420 nan 0.000 0.272 41 P C -0.620 176.707 177.300 0.045 0.000 1.223 41 P CA 0.082 63.201 63.100 0.031 0.000 0.784 41 P CB 0.548 32.295 31.700 0.078 0.000 0.923 42 V N 4.648 124.589 119.914 0.045 0.000 2.398 42 V HA 0.265 4.254 4.120 -0.219 0.000 0.286 42 V C -1.834 174.323 176.094 0.105 0.000 1.026 42 V CA -2.109 60.230 62.300 0.066 0.000 0.868 42 V CB 1.092 32.943 31.823 0.046 0.000 0.982 42 V HN 0.595 nan 8.190 nan 0.000 0.443 43 P HA -0.037 nan 4.420 nan 0.000 0.266 43 P C -0.911 176.511 177.300 0.203 0.000 1.195 43 P CA -0.030 63.190 63.100 0.201 0.000 0.768 43 P CB 0.430 32.252 31.700 0.202 0.000 0.838 44 Y N 2.460 122.828 120.300 0.113 0.000 2.465 44 Y HA 0.064 4.483 4.550 -0.218 0.000 0.331 44 Y C 1.605 177.573 175.900 0.114 0.000 1.102 44 Y CA 0.825 58.980 58.100 0.092 0.000 1.358 44 Y CB 0.612 39.126 38.460 0.091 0.000 1.213 44 Y HN 0.398 nan 8.280 nan 0.000 0.525 45 S N 3.226 118.789 115.700 -0.227 0.000 2.512 45 S HA 0.414 4.753 4.470 -0.219 0.000 0.216 45 S C 0.727 175.225 174.600 -0.171 0.000 1.006 45 S CA 0.026 58.156 58.200 -0.117 0.000 0.915 45 S CB -0.098 63.056 63.200 -0.077 0.000 0.824 45 S HN 0.717 nan 8.310 nan 0.000 0.497 46 A N 2.161 124.711 122.820 -0.449 0.000 2.462 46 A HA 0.562 4.751 4.320 -0.219 0.000 0.243 46 A C 0.491 178.100 177.584 0.043 0.000 1.076 46 A CA -0.108 51.790 52.037 -0.231 0.000 0.773 46 A CB 0.086 18.884 19.000 -0.336 0.000 1.010 46 A HN 0.435 nan 8.150 nan 0.000 0.493 47 S N 1.067 116.816 115.700 0.081 0.000 2.549 47 S HA 0.292 4.631 4.470 -0.219 0.000 0.283 47 S C 0.611 175.339 174.600 0.214 0.000 1.320 47 S CA -0.377 57.906 58.200 0.139 0.000 1.058 47 S CB -0.168 63.088 63.200 0.094 0.000 0.882 47 S HN 0.550 nan 8.310 nan 0.000 0.498 48 L N 4.135 125.512 121.223 0.258 0.000 2.728 48 L HA 0.286 4.494 4.340 -0.219 0.000 0.238 48 L C 1.190 178.223 176.870 0.272 0.000 1.143 48 L CA -0.237 54.803 54.840 0.334 0.000 0.937 48 L CB -0.400 41.922 42.059 0.439 0.000 1.225 48 L HN 0.699 nan 8.230 nan 0.000 0.507 49 N N 1.316 120.126 118.700 0.184 0.000 2.359 49 N HA -0.050 4.558 4.740 -0.219 0.000 0.261 49 N C 1.226 176.807 175.510 0.119 0.000 1.267 49 N CA 1.090 54.223 53.050 0.138 0.000 0.864 49 N CB 0.551 39.095 38.487 0.094 0.000 1.063 49 N HN 0.368 nan 8.380 nan 0.000 0.474 50 G N 1.879 110.746 108.800 0.112 0.000 2.184 50 G HA2 -0.294 3.534 3.960 -0.219 0.000 0.264 50 G HA3 -0.294 3.534 3.960 -0.219 0.000 0.264 50 G C 0.069 175.005 174.900 0.059 0.000 0.975 50 G CA 0.191 45.337 45.100 0.078 0.000 0.642 50 G HN 0.669 nan 8.290 nan 0.000 0.536 51 Q N -0.178 119.674 119.800 0.086 0.000 2.317 51 Q HA 0.574 4.782 4.340 -0.219 0.000 0.229 51 Q C 0.272 176.178 176.000 -0.155 0.000 0.984 51 Q CA -0.144 55.622 55.803 -0.062 0.000 0.911 51 Q CB 0.649 29.322 28.738 -0.108 0.000 1.217 51 Q HN 0.540 nan 8.270 nan 0.000 0.501 52 Q N 0.621 120.176 119.800 -0.407 0.000 2.306 52 Q HA 0.456 4.665 4.340 -0.219 0.000 0.265 52 Q C -1.304 174.245 176.000 -0.752 0.000 1.022 52 Q CA -0.385 55.212 55.803 -0.342 0.000 0.853 52 Q CB 1.371 29.994 28.738 -0.191 0.000 1.327 52 Q HN 0.448 nan 8.270 nan 0.000 0.449 53 F N 0.766 120.741 119.950 0.043 0.000 2.686 53 F HA 0.191 4.587 4.527 -0.218 0.000 0.365 53 F C 0.484 176.251 175.800 -0.055 0.000 1.196 53 F CA -0.520 57.500 58.000 0.034 0.000 1.198 53 F CB 1.356 40.441 39.000 0.143 0.000 1.454 53 F HN 0.507 nan 8.300 nan 0.000 0.539 54 T N -2.922 111.620 114.554 -0.020 0.000 3.132 54 T HA 0.355 4.573 4.350 -0.219 0.000 0.274 54 T C 0.182 174.829 174.700 -0.088 0.000 1.011 54 T CA -0.042 62.012 62.100 -0.077 0.000 0.899 54 T CB -0.022 68.791 68.868 -0.091 0.000 1.089 54 T HN 0.309 nan 8.240 nan 0.000 0.543 55 S N -0.053 115.606 115.700 -0.068 0.000 2.537 55 S HA 0.634 4.973 4.470 -0.219 0.000 0.270 55 S C -1.175 173.404 174.600 -0.034 0.000 1.142 55 S CA -1.022 57.140 58.200 -0.063 0.000 0.870 55 S CB 0.747 63.940 63.200 -0.011 0.000 1.112 55 S HN 0.167 nan 8.310 nan 0.000 0.466 56 Y N 1.508 121.820 120.300 0.021 0.000 2.550 56 Y HA 0.473 4.893 4.550 -0.217 0.000 0.343 56 Y C 1.552 177.455 175.900 0.005 0.000 1.245 56 Y CA 1.375 59.485 58.100 0.017 0.000 1.462 56 Y CB 0.409 38.864 38.460 -0.009 0.000 1.340 56 Y HN 1.059 nan 8.280 nan 0.000 0.604 57 G N 2.169 111.083 108.800 0.189 0.000 2.535 57 G HA2 0.511 4.340 3.960 -0.219 0.000 0.303 57 G HA3 0.511 4.340 3.960 -0.219 0.000 0.303 57 G C -2.610 172.315 174.900 0.041 0.000 1.237 57 G CA -1.512 43.637 45.100 0.082 0.000 0.986 57 G HN 0.432 nan 8.290 nan 0.000 0.494 58 P HA 0.236 nan 4.420 nan 0.000 0.274 58 P C -0.124 177.124 177.300 -0.086 0.000 1.237 58 P CA -0.246 62.816 63.100 -0.064 0.000 0.793 58 P CB 1.248 32.899 31.700 -0.082 0.000 0.977 59 S N -0.031 115.589 115.700 -0.133 0.000 2.645 59 S HA 0.232 4.571 4.470 -0.219 0.000 0.266 59 S C 0.394 174.894 174.600 -0.167 0.000 1.258 59 S CA -0.515 57.589 58.200 -0.161 0.000 0.990 59 S CB 0.210 63.272 63.200 -0.230 0.000 0.967 59 S HN 0.510 nan 8.310 nan 0.000 0.556 60 c N 2.758 121.264 118.600 -0.157 0.000 2.595 60 c HA 0.281 4.719 4.570 -0.219 0.000 0.384 60 c C 0.916 174.819 174.090 -0.312 0.000 1.289 60 c CA -0.868 55.342 56.329 -0.199 0.000 2.372 60 c CB -0.546 41.905 42.510 -0.098 0.000 2.593 60 c HN 0.677 nan 8.230 nan 0.000 0.639 61 M N 2.900 122.159 119.600 -0.568 0.000 2.243 61 M HA -0.008 4.341 4.480 -0.219 0.000 0.365 61 M C 0.241 176.232 176.300 -0.513 0.000 1.327 61 M CA 1.291 56.105 55.300 -0.811 0.000 0.918 61 M CB -0.424 31.023 32.600 -1.921 0.000 1.894 61 M HN 0.634 nan 8.290 nan 0.000 0.473 62 Q N 3.256 122.925 119.800 -0.219 0.000 2.256 62 Q HA 0.509 4.718 4.340 -0.219 0.000 0.257 62 Q C -0.514 175.632 176.000 0.243 0.000 0.936 62 Q CA -0.330 55.486 55.803 0.023 0.000 0.903 62 Q CB 2.536 31.275 28.738 0.002 0.000 1.263 62 Q HN 0.719 nan 8.270 nan 0.000 0.440 63 M N 3.105 122.872 119.600 0.279 0.000 2.157 63 M HA 0.201 4.549 4.480 -0.219 0.000 0.354 63 M C -0.158 176.267 176.300 0.207 0.000 1.170 63 M CA -0.489 54.983 55.300 0.286 0.000 1.060 63 M CB 0.846 33.621 32.600 0.292 0.000 1.615 63 M HN 0.492 nan 8.290 nan 0.000 0.460 64 N N 5.970 124.774 118.700 0.173 0.000 2.447 64 N HA 0.076 4.685 4.740 -0.219 0.000 0.263 64 N C -2.100 173.468 175.510 0.096 0.000 1.226 64 N CA -0.990 52.134 53.050 0.123 0.000 0.906 64 N CB 1.100 39.650 38.487 0.105 0.000 1.060 64 N HN 0.448 nan 8.380 nan 0.000 0.468 65 P HA -0.050 nan 4.420 nan 0.000 0.220 65 P C 0.195 177.491 177.300 -0.008 0.000 1.148 65 P CA 1.029 64.146 63.100 0.028 0.000 0.803 65 P CB 0.022 31.713 31.700 -0.015 0.000 0.782 66 M N -2.545 117.047 119.600 -0.013 0.000 2.427 66 M HA -0.140 4.208 4.480 -0.219 0.000 0.204 66 M C 0.452 176.718 176.300 -0.057 0.000 0.413 66 M CA 0.469 55.759 55.300 -0.017 0.000 0.507 66 M CB -2.370 30.242 32.600 0.020 0.000 1.823 66 M HN 0.091 nan 8.290 nan 0.000 0.859 67 G N 0.171 108.885 108.800 -0.142 0.000 2.667 67 G HA2 0.837 4.666 3.960 -0.219 0.000 0.310 67 G HA3 0.837 4.666 3.960 -0.219 0.000 0.310 67 G C -0.176 174.576 174.900 -0.247 0.000 1.259 67 G CA 0.093 45.052 45.100 -0.234 0.000 1.019 67 G HN 0.594 nan 8.290 nan 0.000 0.496 68 S N -0.888 114.666 115.700 -0.242 0.000 2.488 68 S HA 0.302 4.640 4.470 -0.219 0.000 0.151 68 S C 0.194 174.817 174.600 0.040 0.000 1.401 68 S CA -0.695 57.435 58.200 -0.115 0.000 1.221 68 S CB -0.304 62.875 63.200 -0.035 0.000 1.407 68 S HN 0.458 nan 8.310 nan 0.000 0.406 69 F N 2.280 122.221 119.950 -0.014 0.000 2.128 69 F HA -0.036 4.355 4.527 -0.227 0.000 0.295 69 F C 2.508 178.282 175.800 -0.044 0.000 1.100 69 F CA 0.525 58.504 58.000 -0.035 0.000 1.260 69 F CB 0.032 39.009 39.000 -0.039 0.000 1.009 69 F HN 0.506 nan 8.300 nan 0.000 0.476 70 E N 0.226 120.519 120.200 0.156 0.000 2.520 70 E HA -0.134 4.085 4.350 -0.219 0.000 0.201 70 E C -0.040 176.583 176.600 0.038 0.000 1.122 70 E CA 0.729 57.170 56.400 0.069 0.000 0.896 70 E CB -0.555 29.170 29.700 0.040 0.000 0.891 70 E HN 0.516 nan 8.360 nan 0.000 0.533 71 D N 0.302 120.730 120.400 0.045 0.000 2.498 71 D HA -0.000 4.509 4.640 -0.219 0.000 0.223 71 D C 1.157 177.461 176.300 0.007 0.000 1.125 71 D CA 1.040 55.051 54.000 0.018 0.000 0.835 71 D CB 0.895 41.702 40.800 0.012 0.000 1.086 71 D HN 0.355 nan 8.370 nan 0.000 0.510 72 T N -2.166 112.398 114.554 0.017 0.000 3.016 72 T HA 0.328 4.546 4.350 -0.219 0.000 0.271 72 T C 0.644 175.308 174.700 -0.059 0.000 0.968 72 T CA -0.197 61.887 62.100 -0.028 0.000 0.891 72 T CB 0.531 69.382 68.868 -0.028 0.000 1.149 72 T HN -0.124 nan 8.240 nan 0.000 0.524 73 L N 3.037 124.236 121.223 -0.039 0.000 2.334 73 L HA 0.605 4.813 4.340 -0.219 0.000 0.276 73 L C -2.248 174.592 176.870 -0.050 0.000 1.014 73 L CA -2.558 52.239 54.840 -0.072 0.000 0.815 73 L CB 1.736 43.728 42.059 -0.112 0.000 1.268 73 L HN 0.003 nan 8.230 nan 0.000 0.428 74 P HA 0.087 nan 4.420 nan 0.000 0.274 74 P C 0.094 177.378 177.300 -0.027 0.000 1.246 74 P CA -0.566 62.517 63.100 -0.028 0.000 0.795 74 P CB 1.320 33.009 31.700 -0.018 0.000 1.006 75 K N 1.715 122.106 120.400 -0.015 0.000 2.032 75 K HA -0.269 3.920 4.320 -0.219 0.000 0.218 75 K C 1.820 178.414 176.600 -0.011 0.000 1.054 75 K CA 2.436 58.715 56.287 -0.012 0.000 0.941 75 K CB -0.378 32.119 32.500 -0.005 0.000 0.720 75 K HN 0.530 nan 8.250 nan 0.000 0.449 76 N N 0.737 119.438 118.700 0.001 0.000 2.166 76 N HA -0.176 4.433 4.740 -0.219 0.000 0.186 76 N C 1.664 177.181 175.510 0.012 0.000 1.019 76 N CA 1.741 54.802 53.050 0.018 0.000 0.856 76 N CB -0.639 37.869 38.487 0.035 0.000 0.993 76 N HN 0.290 nan 8.380 nan 0.000 0.426 77 A N 1.120 123.928 122.820 -0.020 0.000 1.873 77 A HA 0.031 4.220 4.320 -0.219 0.000 0.215 77 A C 2.303 179.787 177.584 -0.167 0.000 1.186 77 A CA 1.133 53.120 52.037 -0.082 0.000 0.616 77 A CB -0.799 18.137 19.000 -0.107 0.000 0.823 77 A HN 0.273 nan 8.150 nan 0.000 0.442 78 L N 0.226 121.378 121.223 -0.119 0.000 2.046 78 L HA -0.172 4.036 4.340 -0.219 0.000 0.208 78 L C 1.600 178.424 176.870 -0.076 0.000 1.077 78 L CA 2.491 57.267 54.840 -0.106 0.000 0.747 78 L CB -0.684 41.349 42.059 -0.045 0.000 0.896 78 L HN 0.336 nan 8.230 nan 0.000 0.432 79 D N -0.487 119.887 120.400 -0.044 0.000 2.149 79 D HA -0.196 4.312 4.640 -0.219 0.000 0.198 79 D C 2.318 178.601 176.300 -0.028 0.000 0.990 79 D CA 1.626 55.609 54.000 -0.029 0.000 0.839 79 D CB -0.166 40.628 40.800 -0.010 0.000 0.948 79 D HN 0.388 nan 8.370 nan 0.000 0.460 80 L N 0.198 121.420 121.223 -0.002 0.000 2.072 80 L HA -0.114 4.095 4.340 -0.219 0.000 0.205 80 L C 2.560 179.469 176.870 0.064 0.000 1.079 80 L CA 0.480 55.367 54.840 0.079 0.000 0.752 80 L CB -0.307 41.915 42.059 0.272 0.000 0.906 80 L HN -0.076 nan 8.230 nan 0.000 0.436 81 V N 0.261 120.083 119.914 -0.153 0.000 2.343 81 V HA -0.287 3.701 4.120 -0.219 0.000 0.247 81 V C 2.393 178.479 176.094 -0.015 0.000 1.051 81 V CA 1.644 63.824 62.300 -0.200 0.000 1.036 81 V CB -0.404 31.158 31.823 -0.436 0.000 0.654 81 V HN 0.346 nan 8.190 nan 0.000 0.451 82 L N -0.416 120.793 121.223 -0.022 0.000 2.046 82 L HA -0.237 3.972 4.340 -0.219 0.000 0.208 82 L C 2.632 179.461 176.870 -0.069 0.000 1.077 82 L CA 1.945 56.778 54.840 -0.012 0.000 0.747 82 L CB -0.645 41.399 42.059 -0.024 0.000 0.896 82 L HN 0.386 nan 8.230 nan 0.000 0.432 83 Q N 0.257 119.997 119.800 -0.100 0.000 2.170 83 Q HA -0.214 3.994 4.340 -0.219 0.000 0.203 83 Q C 2.301 178.175 176.000 -0.211 0.000 0.976 83 Q CA 1.989 57.664 55.803 -0.214 0.000 0.858 83 Q CB 0.012 28.632 28.738 -0.198 0.000 0.907 83 Q HN 0.562 nan 8.270 nan 0.000 0.433 84 S N -0.333 115.352 115.700 -0.025 0.000 2.447 84 S HA -0.077 4.262 4.470 -0.219 0.000 0.233 84 S C 0.708 175.433 174.600 0.208 0.000 1.006 84 S CA 0.878 59.146 58.200 0.112 0.000 0.957 84 S CB 0.095 63.385 63.200 0.150 0.000 0.773 84 S HN 0.355 nan 8.310 nan 0.000 0.507 85 K N -0.215 120.233 120.400 0.081 0.000 3.407 85 K HA -0.166 4.023 4.320 -0.219 0.000 0.312 85 K C 0.075 176.762 176.600 0.144 0.000 1.302 85 K CA 0.778 57.093 56.287 0.046 0.000 0.931 85 K CB -2.643 29.808 32.500 -0.082 0.000 1.257 85 K HN 0.720 nan 8.250 nan 0.000 0.454 86 I N 0.788 121.474 120.570 0.194 0.000 2.648 86 I HA -0.002 4.037 4.170 -0.219 0.000 0.284 86 I C 1.026 177.211 176.117 0.113 0.000 1.153 86 I CA 0.323 61.664 61.300 0.069 0.000 1.426 86 I CB -0.057 37.833 38.000 -0.185 0.000 1.381 86 I HN 0.342 nan 8.210 nan 0.000 0.571 87 F N 3.649 123.766 119.950 0.279 0.000 3.074 87 F HA -0.273 4.118 4.527 -0.228 0.000 0.289 87 F C 0.342 176.204 175.800 0.103 0.000 0.863 87 F CA 0.165 58.287 58.000 0.204 0.000 1.121 87 F CB -1.435 37.701 39.000 0.226 0.000 1.169 87 F HN 0.589 nan 8.300 nan 0.000 0.570 88 Q N 0.741 120.663 119.800 0.203 0.000 2.331 88 Q HA 0.544 4.752 4.340 -0.219 0.000 0.267 88 Q C -0.059 175.960 176.000 0.032 0.000 1.006 88 Q CA -0.980 54.873 55.803 0.083 0.000 0.818 88 Q CB 2.843 31.595 28.738 0.023 0.000 1.276 88 Q HN 0.224 nan 8.270 nan 0.000 0.450 89 V N 0.470 120.398 119.914 0.024 0.000 2.763 89 V HA 0.205 4.194 4.120 -0.219 0.000 0.306 89 V C 0.033 176.080 176.094 -0.079 0.000 1.059 89 V CA -0.425 61.870 62.300 -0.007 0.000 1.138 89 V CB 0.541 32.373 31.823 0.015 0.000 0.940 89 V HN 0.426 nan 8.190 nan 0.000 0.489 90 V N 6.408 126.243 119.914 -0.130 0.000 2.370 90 V HA 0.514 4.503 4.120 -0.219 0.000 0.279 90 V C 0.181 176.175 176.094 -0.167 0.000 1.029 90 V CA -0.362 61.826 62.300 -0.187 0.000 0.870 90 V CB 0.927 32.581 31.823 -0.282 0.000 0.984 90 V HN 0.815 nan 8.190 nan 0.000 0.451 91 L N 6.303 127.436 121.223 -0.150 0.000 2.341 91 L HA 0.657 4.866 4.340 -0.219 0.000 0.267 91 L C -1.876 174.917 176.870 -0.128 0.000 1.009 91 L CA -1.593 53.167 54.840 -0.134 0.000 0.819 91 L CB 2.493 44.486 42.059 -0.110 0.000 1.323 91 L HN 0.517 nan 8.230 nan 0.000 0.425 92 P HA 0.297 nan 4.420 nan 0.000 0.276 92 P C -1.758 175.459 177.300 -0.138 0.000 1.252 92 P CA -0.450 62.580 63.100 -0.116 0.000 0.802 92 P CB 0.893 32.538 31.700 -0.093 0.000 1.035 93 N N -0.386 118.220 118.700 -0.157 0.000 2.357 93 N HA 0.631 5.240 4.740 -0.219 0.000 0.284 93 N C -1.564 173.827 175.510 -0.197 0.000 1.236 93 N CA -0.730 52.207 53.050 -0.188 0.000 0.774 93 N CB 1.985 40.338 38.487 -0.223 0.000 1.534 93 N HN 0.508 nan 8.380 nan 0.000 0.478 94 D N -1.886 118.385 120.400 -0.215 0.000 2.694 94 D HA 0.213 4.721 4.640 -0.219 0.000 0.260 94 D C -0.355 175.807 176.300 -0.230 0.000 1.250 94 D CA -0.448 53.431 54.000 -0.201 0.000 0.763 94 D CB 1.415 42.134 40.800 -0.135 0.000 1.311 94 D HN 0.562 nan 8.370 nan 0.000 0.420 95 E N -0.183 119.893 120.200 -0.206 0.000 2.208 95 E HA -0.070 4.148 4.350 -0.219 0.000 0.193 95 E C -0.118 176.405 176.600 -0.128 0.000 0.988 95 E CA 0.567 56.853 56.400 -0.190 0.000 0.828 95 E CB 0.152 29.785 29.700 -0.110 0.000 0.763 95 E HN 0.269 nan 8.360 nan 0.000 0.478 96 D N 0.414 120.750 120.400 -0.107 0.000 2.470 96 D HA -0.008 4.500 4.640 -0.219 0.000 0.226 96 D C 0.068 176.303 176.300 -0.109 0.000 1.196 96 D CA -0.217 53.726 54.000 -0.094 0.000 0.979 96 D CB 0.042 40.801 40.800 -0.067 0.000 1.059 96 D HN 0.151 nan 8.370 nan 0.000 0.515 97 c N 2.367 120.893 118.600 -0.123 0.000 3.911 97 c HA 0.367 4.806 4.570 -0.219 0.000 0.318 97 c C 0.802 174.829 174.090 -0.104 0.000 1.643 97 c CA -0.652 55.615 56.329 -0.103 0.000 1.845 97 c CB -1.245 41.205 42.510 -0.100 0.000 2.981 97 c HN 0.435 nan 8.230 nan 0.000 0.656 98 L N 4.116 125.202 121.223 -0.228 0.000 2.384 98 L HA 0.326 4.534 4.340 -0.219 0.000 0.258 98 L C 0.626 177.153 176.870 -0.572 0.000 1.266 98 L CA 0.799 55.359 54.840 -0.466 0.000 1.162 98 L CB -0.544 41.022 42.059 -0.820 0.000 1.375 98 L HN 0.580 nan 8.230 nan 0.000 0.420 99 T N -0.870 113.663 114.554 -0.035 0.000 2.940 99 T HA 0.745 4.964 4.350 -0.219 0.000 0.288 99 T C -0.444 174.415 174.700 0.265 0.000 1.045 99 T CA -0.745 61.397 62.100 0.070 0.000 1.018 99 T CB 2.909 71.786 68.868 0.015 0.000 1.151 99 T HN 0.222 nan 8.240 nan 0.000 0.529 100 I N 0.718 121.294 120.570 0.010 0.000 2.828 100 I HA 0.578 4.617 4.170 -0.219 0.000 0.302 100 I C -1.729 174.281 176.117 -0.178 0.000 1.101 100 I CA -1.107 60.077 61.300 -0.193 0.000 1.031 100 I CB 2.126 39.723 38.000 -0.673 0.000 1.231 100 I HN 0.926 nan 8.210 nan 0.000 0.427 101 N N 4.931 123.584 118.700 -0.079 0.000 2.240 101 N HA 0.678 5.287 4.740 -0.219 0.000 0.302 101 N C -1.723 173.787 175.510 0.000 0.000 1.106 101 N CA -0.681 52.367 53.050 -0.003 0.000 0.778 101 N CB 2.539 41.097 38.487 0.118 0.000 1.431 101 N HN 0.145 nan 8.380 nan 0.000 0.479 102 V N 1.653 121.598 119.914 0.052 0.000 2.531 102 V HA 0.487 4.475 4.120 -0.219 0.000 0.301 102 V C -0.609 175.621 176.094 0.228 0.000 1.034 102 V CA -0.602 61.738 62.300 0.067 0.000 0.865 102 V CB 1.312 33.035 31.823 -0.166 0.000 0.995 102 V HN 0.610 nan 8.190 nan 0.000 0.424 103 I N 6.037 126.744 120.570 0.228 0.000 2.389 103 I HA 0.659 4.698 4.170 -0.219 0.000 0.288 103 I C 0.021 176.264 176.117 0.210 0.000 0.999 103 I CA -0.540 60.889 61.300 0.215 0.000 1.129 103 I CB 1.630 39.731 38.000 0.169 0.000 1.288 103 I HN 0.742 nan 8.210 nan 0.000 0.444 104 R N 5.370 125.998 120.500 0.213 0.000 2.867 104 R HA 0.735 4.944 4.340 -0.219 0.000 0.268 104 R C -3.169 173.216 176.300 0.141 0.000 1.014 104 R CA -2.116 54.095 56.100 0.186 0.000 0.946 104 R CB 1.342 31.781 30.300 0.232 0.000 1.208 104 R HN 0.100 nan 8.270 nan 0.000 0.477 105 P HA 0.119 nan 4.420 nan 0.000 0.269 105 P C -2.411 174.942 177.300 0.087 0.000 1.215 105 P CA -1.023 62.127 63.100 0.083 0.000 0.780 105 P CB 0.153 31.895 31.700 0.069 0.000 0.898 106 P HA 0.006 nan 4.420 nan 0.000 0.269 106 P C 0.797 178.134 177.300 0.062 0.000 1.209 106 P CA 0.737 63.875 63.100 0.063 0.000 0.776 106 P CB 0.261 31.987 31.700 0.042 0.000 0.876 107 G N 1.441 110.280 108.800 0.065 0.000 2.184 107 G HA2 -0.224 3.605 3.960 -0.219 0.000 0.264 107 G HA3 -0.224 3.605 3.960 -0.219 0.000 0.264 107 G C 0.268 175.206 174.900 0.064 0.000 0.975 107 G CA 0.275 45.410 45.100 0.057 0.000 0.642 107 G HN 0.640 nan 8.290 nan 0.000 0.536 108 T N 2.955 117.560 114.554 0.084 0.000 2.853 108 T HA 0.453 4.672 4.350 -0.219 0.000 0.298 108 T C 0.790 175.537 174.700 0.079 0.000 0.978 108 T CA 0.083 62.234 62.100 0.085 0.000 1.152 108 T CB 0.780 69.716 68.868 0.113 0.000 0.914 108 T HN 0.365 nan 8.240 nan 0.000 0.539 109 R N 2.032 122.565 120.500 0.055 0.000 2.674 109 R HA 0.608 4.816 4.340 -0.219 0.000 0.266 109 R C 1.383 177.699 176.300 0.026 0.000 1.016 109 R CA -1.121 55.001 56.100 0.037 0.000 1.062 109 R CB -0.007 30.308 30.300 0.026 0.000 1.142 109 R HN 0.615 nan 8.270 nan 0.000 0.517 110 A N 0.715 123.536 122.820 0.002 0.000 2.076 110 A HA -0.177 4.012 4.320 -0.219 0.000 0.220 110 A C 1.522 179.107 177.584 0.002 0.000 1.160 110 A CA 2.096 54.126 52.037 -0.012 0.000 0.653 110 A CB -0.532 18.444 19.000 -0.041 0.000 0.801 110 A HN 0.720 nan 8.150 nan 0.000 0.455 111 S N -1.048 114.656 115.700 0.006 0.000 2.593 111 S HA 0.445 4.783 4.470 -0.219 0.000 0.217 111 S C 1.653 176.262 174.600 0.015 0.000 0.966 111 S CA 0.615 58.820 58.200 0.007 0.000 0.914 111 S CB -0.076 63.127 63.200 0.005 0.000 0.776 111 S HN 0.736 nan 8.310 nan 0.000 0.523 112 A N 2.052 124.886 122.820 0.024 0.000 1.972 112 A HA 0.359 4.547 4.320 -0.219 0.000 0.219 112 A C 2.016 179.615 177.584 0.025 0.000 1.169 112 A CA 0.867 52.922 52.037 0.029 0.000 0.635 112 A CB -1.626 17.400 19.000 0.043 0.000 0.810 112 A HN 1.534 nan 8.150 nan 0.000 0.446 113 G N -0.788 108.027 108.800 0.025 0.000 2.356 113 G HA2 -0.238 3.590 3.960 -0.219 0.000 0.296 113 G HA3 -0.238 3.590 3.960 -0.219 0.000 0.296 113 G C 0.038 174.951 174.900 0.021 0.000 1.022 113 G CA 0.535 45.646 45.100 0.019 0.000 0.961 113 G HN 0.523 nan 8.290 nan 0.000 0.510 114 L N -0.271 120.971 121.223 0.032 0.000 2.436 114 L HA 0.331 4.540 4.340 -0.219 0.000 0.265 114 L C -1.541 175.344 176.870 0.026 0.000 1.168 114 L CA -2.076 52.783 54.840 0.032 0.000 0.815 114 L CB 0.585 42.672 42.059 0.047 0.000 1.109 114 L HN -0.044 nan 8.230 nan 0.000 0.462 115 P HA 0.079 nan 4.420 nan 0.000 0.272 115 P C -0.978 176.334 177.300 0.020 0.000 1.223 115 P CA -0.163 62.941 63.100 0.006 0.000 0.784 115 P CB 0.820 32.514 31.700 -0.010 0.000 0.923 116 V N 3.914 123.838 119.914 0.017 0.000 2.448 116 V HA 0.362 4.351 4.120 -0.219 0.000 0.295 116 V C 0.143 176.254 176.094 0.027 0.000 1.025 116 V CA -0.314 62.003 62.300 0.028 0.000 0.859 116 V CB 1.306 33.144 31.823 0.024 0.000 0.988 116 V HN 0.470 nan 8.190 nan 0.000 0.431 117 M N 5.831 125.458 119.600 0.044 0.000 2.080 117 M HA 0.392 4.741 4.480 -0.219 0.000 0.350 117 M C -0.969 175.430 176.300 0.166 0.000 1.143 117 M CA -0.658 54.683 55.300 0.067 0.000 1.064 117 M CB 1.295 33.881 32.600 -0.023 0.000 1.429 117 M HN 0.407 nan 8.290 nan 0.000 0.418 118 L N 5.476 126.802 121.223 0.172 0.000 2.268 118 L HA 0.317 4.526 4.340 -0.219 0.000 0.289 118 L C -0.894 176.062 176.870 0.143 0.000 1.064 118 L CA 0.040 54.927 54.840 0.077 0.000 0.824 118 L CB 0.231 42.274 42.059 -0.027 0.000 1.202 118 L HN 0.681 nan 8.230 nan 0.000 0.433 119 W N 7.954 129.137 121.300 -0.196 0.000 2.316 119 W HA 0.422 5.029 4.660 -0.088 0.000 0.311 119 W C -1.265 175.103 176.519 -0.251 0.000 1.217 119 W CA -0.816 56.265 57.345 -0.439 0.000 1.199 119 W CB 1.071 30.265 29.460 -0.443 0.000 1.202 119 W HN 0.386 nan 8.180 nan 0.000 0.528 120 I N 9.509 129.401 120.570 -1.129 0.000 2.390 120 I HA 0.104 4.142 4.170 -0.219 0.000 0.283 120 I C 0.168 175.479 176.117 -1.343 0.000 1.016 120 I CA -0.982 59.760 61.300 -0.930 0.000 1.151 120 I CB 0.428 38.032 38.000 -0.659 0.000 1.293 120 I HN 0.233 nan 8.210 nan 0.000 0.458 121 F N 4.589 124.107 119.950 -0.719 0.000 2.545 121 F HA 0.627 5.037 4.527 -0.195 0.000 0.348 121 F C 0.623 176.336 175.800 -0.143 0.000 1.163 121 F CA -0.751 57.090 58.000 -0.264 0.000 1.331 121 F CB 0.118 39.361 39.000 0.404 0.000 1.138 121 F HN 0.366 nan 8.300 nan 0.000 0.602 122 G N -0.006 108.904 108.800 0.184 0.000 2.461 122 G HA2 0.534 4.363 3.960 -0.219 0.000 0.323 122 G HA3 0.534 4.363 3.960 -0.219 0.000 0.323 122 G C -0.267 174.824 174.900 0.318 0.000 1.229 122 G CA -0.620 44.524 45.100 0.074 0.000 0.941 122 G HN 1.329 nan 8.290 nan 0.000 0.477 123 G N -0.283 108.702 108.800 0.308 0.000 5.414 123 G HA2 0.511 4.340 3.960 -0.219 0.000 0.202 123 G HA3 0.511 4.340 3.960 -0.219 0.000 0.202 123 G C 0.861 176.047 174.900 0.476 0.000 0.727 123 G CA 0.602 45.955 45.100 0.422 0.000 0.670 123 G HN 1.953 nan 8.290 nan 0.000 0.442 124 G N 0.247 109.305 108.800 0.430 0.000 2.203 124 G HA2 -0.244 3.584 3.960 -0.219 0.000 0.263 124 G HA3 -0.244 3.584 3.960 -0.219 0.000 0.263 124 G C 0.803 175.897 174.900 0.324 0.000 1.012 124 G CA 0.527 45.873 45.100 0.410 0.000 0.749 124 G HN 1.334 nan 8.290 nan 0.000 0.512 125 F N -1.873 118.270 119.950 0.322 0.000 3.006 125 F HA -0.231 4.268 4.527 -0.047 0.000 0.289 125 F C 1.371 177.388 175.800 0.361 0.000 0.772 125 F CA 1.824 59.965 58.000 0.235 0.000 1.162 125 F CB -1.768 37.143 39.000 -0.148 0.000 1.382 125 F HN 0.527 nan 8.300 nan 0.000 0.406 126 E N -0.948 119.534 120.200 0.470 0.000 2.603 126 E HA 0.394 4.613 4.350 -0.219 0.000 0.224 126 E C 0.236 177.046 176.600 0.350 0.000 0.896 126 E CA 0.523 57.178 56.400 0.424 0.000 1.224 126 E CB 0.794 30.736 29.700 0.405 0.000 1.206 126 E HN 0.326 nan 8.360 nan 0.000 0.576 127 L N -3.153 118.270 121.223 0.332 0.000 2.828 127 L HA 0.890 5.098 4.340 -0.219 0.000 0.264 127 L C -0.157 176.825 176.870 0.188 0.000 1.106 127 L CA -0.445 54.528 54.840 0.220 0.000 0.955 127 L CB 0.930 43.109 42.059 0.202 0.000 1.558 127 L HN -0.028 nan 8.230 nan 0.000 0.386 128 G N -2.265 106.501 108.800 -0.057 0.000 2.570 128 G HA2 0.556 4.384 3.960 -0.219 0.000 0.686 128 G HA3 0.556 4.384 3.960 -0.219 0.000 0.686 128 G C -0.586 173.646 174.900 -1.113 0.000 1.257 128 G CA 0.061 44.907 45.100 -0.423 0.000 0.846 128 G HN 2.186 nan 8.290 nan 0.000 0.627 129 G N -1.574 106.337 108.800 -1.482 0.000 2.677 129 G HA2 0.769 4.598 3.960 -0.219 0.000 0.291 129 G HA3 0.769 4.598 3.960 -0.219 0.000 0.291 129 G C 0.912 175.353 174.900 -0.766 0.000 1.435 129 G CA 0.793 45.183 45.100 -1.183 0.000 0.826 129 G HN 2.070 nan 8.290 nan 0.000 0.491 130 S N -0.836 114.733 115.700 -0.218 0.000 2.453 130 S HA -0.109 4.229 4.470 -0.219 0.000 0.231 130 S C 2.315 176.882 174.600 -0.056 0.000 1.005 130 S CA 1.761 60.051 58.200 0.149 0.000 0.949 130 S CB -0.284 63.087 63.200 0.284 0.000 0.774 130 S HN 1.371 nan 8.310 nan 0.000 0.510 131 S N 1.149 116.613 115.700 -0.393 0.000 2.481 131 S HA 0.210 4.548 4.470 -0.219 0.000 0.231 131 S C 0.802 175.084 174.600 -0.530 0.000 0.996 131 S CA -0.061 57.642 58.200 -0.828 0.000 0.942 131 S CB -0.647 61.930 63.200 -1.038 0.000 0.768 131 S HN 0.506 nan 8.310 nan 0.000 0.520 132 L N -0.362 120.583 121.223 -0.463 0.000 2.440 132 L HA 0.428 4.637 4.340 -0.219 0.000 0.262 132 L C -0.035 176.602 176.870 -0.388 0.000 1.072 132 L CA -1.187 53.322 54.840 -0.552 0.000 0.798 132 L CB -0.092 41.384 42.059 -0.971 0.000 1.307 132 L HN 0.192 nan 8.230 nan 0.000 0.475 133 F N -0.540 119.361 119.950 -0.080 0.000 2.891 133 F HA -0.138 4.281 4.527 -0.180 0.000 0.272 133 F C -1.971 173.564 175.800 -0.442 0.000 1.004 133 F CA -0.929 56.901 58.000 -0.282 0.000 0.938 133 F CB -2.567 36.345 39.000 -0.147 0.000 0.939 133 F HN 0.237 nan 8.300 nan 0.000 0.833 134 P HA 0.098 nan 4.420 nan 0.000 0.265 134 P C 1.075 178.095 177.300 -0.466 0.000 1.187 134 P CA 0.821 63.749 63.100 -0.287 0.000 0.766 134 P CB 0.994 32.574 31.700 -0.201 0.000 0.820 135 G N 2.088 110.490 108.800 -0.663 0.000 3.042 135 G HA2 -0.070 3.759 3.960 -0.219 0.000 0.212 135 G HA3 -0.070 3.759 3.960 -0.219 0.000 0.212 135 G C 0.751 175.367 174.900 -0.473 0.000 1.166 135 G CA -0.015 44.455 45.100 -1.050 0.000 0.767 135 G HN 0.326 nan 8.290 nan 0.000 0.546 136 D N 0.433 120.662 120.400 -0.284 0.000 2.104 136 D HA -0.184 4.325 4.640 -0.219 0.000 0.194 136 D C 2.218 178.451 176.300 -0.110 0.000 0.994 136 D CA 1.260 55.176 54.000 -0.140 0.000 0.830 136 D CB -0.141 40.607 40.800 -0.086 0.000 0.959 136 D HN 0.445 nan 8.370 nan 0.000 0.452 137 Q N -0.537 119.181 119.800 -0.137 0.000 2.124 137 Q HA -0.203 4.006 4.340 -0.219 0.000 0.202 137 Q C 2.018 177.981 176.000 -0.063 0.000 0.977 137 Q CA 1.204 56.953 55.803 -0.089 0.000 0.850 137 Q CB -0.106 28.567 28.738 -0.108 0.000 0.901 137 Q HN 0.199 nan 8.270 nan 0.000 0.429 138 M N -0.540 119.012 119.600 -0.080 0.000 2.086 138 M HA -0.136 4.213 4.480 -0.219 0.000 0.261 138 M C 1.824 178.128 176.300 0.008 0.000 1.067 138 M CA 1.441 56.731 55.300 -0.016 0.000 1.116 138 M CB -0.200 32.420 32.600 0.034 0.000 1.348 138 M HN 0.138 nan 8.290 nan 0.000 0.407 139 V N 0.432 120.346 119.914 0.000 0.000 2.295 139 V HA -0.234 3.754 4.120 -0.219 0.000 0.246 139 V C 2.588 178.695 176.094 0.021 0.000 1.049 139 V CA 1.811 64.129 62.300 0.031 0.000 1.024 139 V CB -1.770 30.077 31.823 0.041 0.000 0.648 139 V HN 0.641 nan 8.190 nan 0.000 0.447 140 A N 0.284 123.106 122.820 0.005 0.000 1.908 140 A HA -0.280 3.909 4.320 -0.219 0.000 0.218 140 A C 2.231 179.822 177.584 0.011 0.000 1.181 140 A CA 2.394 54.435 52.037 0.008 0.000 0.627 140 A CB -0.515 18.485 19.000 0.001 0.000 0.818 140 A HN 0.468 nan 8.150 nan 0.000 0.445 141 K N 1.006 121.410 120.400 0.007 0.000 2.148 141 K HA -0.104 4.085 4.320 -0.219 0.000 0.204 141 K C 2.185 178.793 176.600 0.013 0.000 1.050 141 K CA 2.011 58.303 56.287 0.008 0.000 0.942 141 K CB -0.548 31.953 32.500 0.002 0.000 0.724 141 K HN 0.553 nan 8.250 nan 0.000 0.446 142 S N -0.663 115.048 115.700 0.019 0.000 2.382 142 S HA -0.103 4.236 4.470 -0.219 0.000 0.228 142 S C 2.028 176.641 174.600 0.022 0.000 1.027 142 S CA 1.264 59.478 58.200 0.023 0.000 0.991 142 S CB -0.718 62.502 63.200 0.034 0.000 0.823 142 S HN 0.040 nan 8.310 nan 0.000 0.469 143 V N 1.813 121.742 119.914 0.024 0.000 2.307 143 V HA -0.077 3.911 4.120 -0.219 0.000 0.245 143 V C 2.511 178.617 176.094 0.019 0.000 1.045 143 V CA 1.684 63.999 62.300 0.024 0.000 1.024 143 V CB -0.915 30.924 31.823 0.027 0.000 0.651 143 V HN 0.481 nan 8.190 nan 0.000 0.449 144 L N 0.857 122.090 121.223 0.017 0.000 2.042 144 L HA -0.172 4.037 4.340 -0.219 0.000 0.210 144 L C 2.190 179.068 176.870 0.013 0.000 1.076 144 L CA 2.341 57.190 54.840 0.016 0.000 0.749 144 L CB -0.572 41.496 42.059 0.015 0.000 0.893 144 L HN 0.519 nan 8.230 nan 0.000 0.432 145 M N -2.801 116.805 119.600 0.010 0.000 2.563 145 M HA 0.391 4.739 4.480 -0.219 0.000 0.231 145 M C 1.300 177.603 176.300 0.004 0.000 1.136 145 M CA 0.677 55.979 55.300 0.004 0.000 1.026 145 M CB -0.540 32.058 32.600 -0.004 0.000 1.597 145 M HN 0.238 nan 8.290 nan 0.000 0.495 146 G N 2.193 110.998 108.800 0.009 0.000 2.160 146 G HA2 -0.276 3.553 3.960 -0.219 0.000 0.251 146 G HA3 -0.276 3.553 3.960 -0.219 0.000 0.251 146 G C -0.050 174.855 174.900 0.009 0.000 1.008 146 G CA 0.433 45.539 45.100 0.010 0.000 0.724 146 G HN 0.632 nan 8.290 nan 0.000 0.514 147 K N 0.786 121.193 120.400 0.011 0.000 3.206 147 K HA 0.253 4.441 4.320 -0.219 0.000 0.180 147 K C -2.517 174.094 176.600 0.018 0.000 1.088 147 K CA -1.548 54.745 56.287 0.011 0.000 0.872 147 K CB 2.023 34.526 32.500 0.006 0.000 0.976 147 K HN 0.234 nan 8.250 nan 0.000 0.564 148 P HA -0.094 nan 4.420 nan 0.000 0.264 148 P C -0.104 177.220 177.300 0.039 0.000 1.179 148 P CA 0.103 63.223 63.100 0.035 0.000 0.763 148 P CB 0.968 32.691 31.700 0.038 0.000 0.806 149 V N 1.206 121.151 119.914 0.052 0.000 3.102 149 V HA 0.611 4.600 4.120 -0.219 0.000 0.312 149 V C -0.331 175.816 176.094 0.089 0.000 1.135 149 V CA -1.255 61.081 62.300 0.060 0.000 1.022 149 V CB 2.228 34.084 31.823 0.054 0.000 1.056 149 V HN 0.318 nan 8.190 nan 0.000 0.436 150 I N 2.774 123.401 120.570 0.095 0.000 2.412 150 I HA 0.442 4.481 4.170 -0.219 0.000 0.296 150 I C -0.506 175.703 176.117 0.153 0.000 0.987 150 I CA -0.497 60.877 61.300 0.123 0.000 1.180 150 I CB 1.356 39.416 38.000 0.099 0.000 1.340 150 I HN 0.830 nan 8.210 nan 0.000 0.455 151 H N 6.558 125.685 119.070 0.095 0.000 2.467 151 H HA 0.552 4.974 4.556 -0.223 0.000 0.326 151 H C -1.640 173.758 175.328 0.118 0.000 1.094 151 H CA -0.427 55.699 56.048 0.130 0.000 1.253 151 H CB 1.735 31.570 29.762 0.122 0.000 1.439 151 H HN 0.262 nan 8.280 nan 0.000 0.479 152 V N 4.503 124.277 119.914 -0.233 0.000 2.656 152 V HA 0.321 4.309 4.120 -0.219 0.000 0.307 152 V C -0.451 175.556 176.094 -0.145 0.000 1.051 152 V CA -0.655 61.575 62.300 -0.116 0.000 0.893 152 V CB 1.861 33.635 31.823 -0.082 0.000 0.999 152 V HN 0.917 nan 8.190 nan 0.000 0.426 153 S N 5.280 120.999 115.700 0.032 0.000 2.549 153 S HA 0.925 5.263 4.470 -0.219 0.000 0.280 153 S C -0.868 173.800 174.600 0.114 0.000 1.109 153 S CA -0.808 57.503 58.200 0.186 0.000 0.905 153 S CB 2.395 65.859 63.200 0.441 0.000 1.081 153 S HN 0.900 nan 8.310 nan 0.000 0.477 154 M N 1.067 120.752 119.600 0.141 0.000 2.550 154 M HA 0.579 4.928 4.480 -0.219 0.000 0.292 154 M C -1.790 174.716 176.300 0.344 0.000 1.221 154 M CA -0.409 54.958 55.300 0.111 0.000 0.873 154 M CB 0.764 33.259 32.600 -0.175 0.000 1.727 154 M HN 0.786 nan 8.290 nan 0.000 0.459 155 N N 1.180 120.112 118.700 0.387 0.000 2.508 155 N HA 0.720 5.328 4.740 -0.219 0.000 0.285 155 N C -1.698 174.090 175.510 0.463 0.000 1.144 155 N CA -0.296 53.018 53.050 0.439 0.000 0.978 155 N CB 1.209 39.840 38.487 0.240 0.000 1.180 155 N HN 0.686 nan 8.380 nan 0.000 0.484 156 Y N -1.999 118.519 120.300 0.364 0.000 2.544 156 Y HA 0.480 4.877 4.550 -0.256 0.000 0.342 156 Y C -0.734 175.324 175.900 0.264 0.000 1.062 156 Y CA -1.438 56.796 58.100 0.224 0.000 1.023 156 Y CB 0.724 39.229 38.460 0.075 0.000 1.308 156 Y HN 0.218 nan 8.280 nan 0.000 0.457 157 R N 1.904 122.600 120.500 0.326 0.000 2.590 157 R HA 0.508 4.717 4.340 -0.219 0.000 0.274 157 R C -0.218 176.341 176.300 0.433 0.000 1.061 157 R CA -0.114 56.146 56.100 0.266 0.000 1.081 157 R CB 0.893 31.316 30.300 0.206 0.000 0.984 157 R HN 0.711 nan 8.270 nan 0.000 0.448 158 V N -0.757 119.421 119.914 0.441 0.000 3.164 158 V HA 0.906 4.895 4.120 -0.219 0.000 0.313 158 V C 0.588 177.030 176.094 0.579 0.000 1.188 158 V CA -0.349 62.323 62.300 0.621 0.000 1.058 158 V CB 1.142 33.251 31.823 0.477 0.000 1.110 158 V HN 1.063 nan 8.190 nan 0.000 0.453 159 A N 1.020 124.119 122.820 0.464 0.000 5.695 159 A HA -0.248 3.941 4.320 -0.219 0.000 0.297 159 A C 1.910 179.190 177.584 -0.507 0.000 1.947 159 A CA 2.937 54.907 52.037 -0.112 0.000 0.717 159 A CB -2.522 16.551 19.000 0.121 0.000 1.252 159 A HN 2.647 nan 8.150 nan 0.000 0.378 160 S N -1.484 113.594 115.700 -1.036 0.000 2.399 160 S HA -0.161 4.177 4.470 -0.219 0.000 0.231 160 S C 1.655 176.199 174.600 -0.093 0.000 1.022 160 S CA 1.697 59.526 58.200 -0.619 0.000 0.983 160 S CB -0.661 62.116 63.200 -0.706 0.000 0.803 160 S HN 0.773 nan 8.310 nan 0.000 0.480 161 W N 1.737 123.113 121.300 0.127 0.000 2.363 161 W HA 0.119 4.643 4.660 -0.227 0.000 0.296 161 W C 2.444 179.038 176.519 0.125 0.000 1.212 161 W CA 0.983 58.414 57.345 0.143 0.000 1.260 161 W CB -1.012 28.477 29.460 0.048 0.000 1.131 161 W HN 0.605 nan 8.180 nan 0.000 0.530 162 G N -2.497 106.488 108.800 0.309 0.000 2.848 162 G HA2 0.104 3.933 3.960 -0.219 0.000 0.213 162 G HA3 0.104 3.933 3.960 -0.219 0.000 0.213 162 G C 0.277 174.863 174.900 -0.523 0.000 1.101 162 G CA -0.036 45.039 45.100 -0.042 0.000 0.778 162 G HN 0.072 nan 8.290 nan 0.000 0.536 163 F N 0.266 120.388 119.950 0.285 0.000 2.733 163 F HA 0.435 4.842 4.527 -0.199 0.000 0.380 163 F C -0.052 175.911 175.800 0.272 0.000 1.324 163 F CA -1.008 57.148 58.000 0.260 0.000 1.178 163 F CB 0.689 39.854 39.000 0.274 0.000 1.093 163 F HN -0.101 nan 8.300 nan 0.000 0.512 164 L N 1.574 122.960 121.223 0.273 0.000 2.456 164 L HA 0.636 4.844 4.340 -0.219 0.000 0.272 164 L C 0.252 177.167 176.870 0.076 0.000 1.189 164 L CA 0.377 55.312 54.840 0.158 0.000 0.846 164 L CB 0.423 42.383 42.059 -0.164 0.000 1.111 164 L HN 0.278 nan 8.230 nan 0.000 0.475 165 A N 2.626 125.462 122.820 0.028 0.000 3.822 165 A HA 0.984 5.173 4.320 -0.219 0.000 0.181 165 A C 0.215 177.647 177.584 -0.254 0.000 0.902 165 A CA -0.196 51.804 52.037 -0.062 0.000 0.825 165 A CB 0.025 19.024 19.000 -0.000 0.000 1.447 165 A HN 1.785 nan 8.150 nan 0.000 0.732 166 G N -1.989 106.684 108.800 -0.211 0.000 2.661 166 G HA2 0.018 3.847 3.960 -0.219 0.000 0.685 166 G HA3 0.018 3.847 3.960 -0.219 0.000 0.685 166 G C -1.792 172.918 174.900 -0.317 0.000 1.298 166 G CA -0.001 44.911 45.100 -0.314 0.000 0.855 166 G HN 0.719 nan 8.290 nan 0.000 0.560 167 P HA -0.045 nan 4.420 nan 0.000 0.217 167 P C 0.917 178.101 177.300 -0.194 0.000 1.150 167 P CA 1.905 64.906 63.100 -0.165 0.000 0.832 167 P CB 0.064 31.712 31.700 -0.087 0.000 0.787 168 D N 0.000 120.211 120.400 -0.315 0.000 2.097 168 D HA -0.094 4.415 4.640 -0.219 0.000 0.197 168 D C 2.182 178.358 176.300 -0.206 0.000 0.984 168 D CA 0.778 54.643 54.000 -0.225 0.000 0.826 168 D CB -0.580 40.098 40.800 -0.202 0.000 0.973 168 D HN 0.087 nan 8.370 nan 0.000 0.460 169 I N 0.872 121.250 120.570 -0.321 0.000 2.179 169 I HA -0.240 3.799 4.170 -0.219 0.000 0.242 169 I C 2.427 178.492 176.117 -0.087 0.000 1.088 169 I CA 1.108 62.298 61.300 -0.184 0.000 1.357 169 I CB -0.949 36.924 38.000 -0.212 0.000 1.051 169 I HN 0.035 nan 8.210 nan 0.000 0.409 170 Q N 1.614 121.354 119.800 -0.100 0.000 2.050 170 Q HA -0.182 4.026 4.340 -0.219 0.000 0.202 170 Q C 1.864 177.851 176.000 -0.022 0.000 0.980 170 Q CA 1.782 57.561 55.803 -0.040 0.000 0.840 170 Q CB -0.306 28.405 28.738 -0.046 0.000 0.898 170 Q HN 0.396 nan 8.270 nan 0.000 0.424 171 N N 0.325 119.002 118.700 -0.039 0.000 2.289 171 N HA -0.162 4.447 4.740 -0.219 0.000 0.184 171 N C 1.285 176.794 175.510 -0.001 0.000 1.016 171 N CA 1.274 54.312 53.050 -0.019 0.000 0.872 171 N CB -0.140 38.333 38.487 -0.024 0.000 0.973 171 N HN 0.526 nan 8.380 nan 0.000 0.433 172 E N -0.053 120.146 120.200 -0.001 0.000 2.385 172 E HA 0.032 4.251 4.350 -0.219 0.000 0.194 172 E C 0.383 177.007 176.600 0.041 0.000 1.013 172 E CA 0.386 56.798 56.400 0.021 0.000 0.866 172 E CB 0.080 29.794 29.700 0.023 0.000 0.832 172 E HN 0.309 nan 8.360 nan 0.000 0.500 173 G N 0.816 109.644 108.800 0.047 0.000 2.160 173 G HA2 -0.231 3.597 3.960 -0.219 0.000 0.244 173 G HA3 -0.231 3.597 3.960 -0.219 0.000 0.244 173 G C 0.496 175.462 174.900 0.111 0.000 1.022 173 G CA 0.553 45.710 45.100 0.094 0.000 0.741 173 G HN 0.242 nan 8.290 nan 0.000 0.508 174 S N 0.180 115.925 115.700 0.076 0.000 2.583 174 S HA 0.485 4.823 4.470 -0.219 0.000 0.239 174 S C 1.433 176.098 174.600 0.108 0.000 0.966 174 S CA 0.215 58.462 58.200 0.078 0.000 0.973 174 S CB 0.488 63.737 63.200 0.083 0.000 0.794 174 S HN 1.182 nan 8.310 nan 0.000 0.463 175 G N 1.752 110.630 108.800 0.130 0.000 2.544 175 G HA2 0.230 4.059 3.960 -0.219 0.000 0.242 175 G HA3 0.230 4.059 3.960 -0.219 0.000 0.242 175 G C 0.192 175.201 174.900 0.182 0.000 1.247 175 G CA -0.492 44.689 45.100 0.135 0.000 0.840 175 G HN 0.428 nan 8.290 nan 0.000 0.578 176 N N -0.743 118.054 118.700 0.163 0.000 2.714 176 N HA -0.246 4.362 4.740 -0.219 0.000 0.253 176 N C 1.426 176.924 175.510 -0.020 0.000 1.024 176 N CA 0.796 53.915 53.050 0.115 0.000 0.726 176 N CB -1.205 37.419 38.487 0.229 0.000 0.908 176 N HN 0.842 nan 8.380 nan 0.000 0.542 177 A N 0.222 122.981 122.820 -0.102 0.000 1.908 177 A HA -0.044 4.145 4.320 -0.219 0.000 0.218 177 A C 2.297 179.809 177.584 -0.121 0.000 1.181 177 A CA 2.167 54.200 52.037 -0.007 0.000 0.627 177 A CB -0.742 18.264 19.000 0.010 0.000 0.818 177 A HN 0.560 nan 8.150 nan 0.000 0.445 178 G N -0.518 107.948 108.800 -0.556 0.000 2.432 178 G HA2 -0.124 3.705 3.960 -0.219 0.000 0.219 178 G HA3 -0.124 3.705 3.960 -0.219 0.000 0.219 178 G C 1.511 176.392 174.900 -0.032 0.000 1.135 178 G CA 0.970 45.938 45.100 -0.220 0.000 0.767 178 G HN 0.447 nan 8.290 nan 0.000 0.550 179 L N -0.601 120.581 121.223 -0.070 0.000 2.156 179 L HA 0.012 4.221 4.340 -0.219 0.000 0.208 179 L C 2.703 179.403 176.870 -0.283 0.000 1.095 179 L CA 0.590 55.341 54.840 -0.149 0.000 0.770 179 L CB -0.399 41.621 42.059 -0.064 0.000 0.914 179 L HN 0.214 nan 8.230 nan 0.000 0.439 180 H N 0.064 119.087 119.070 -0.079 0.000 2.353 180 H HA -0.158 4.270 4.556 -0.213 0.000 0.300 180 H C 1.752 177.055 175.328 -0.041 0.000 1.090 180 H CA 1.525 57.531 56.048 -0.070 0.000 1.327 180 H CB -0.022 29.721 29.762 -0.032 0.000 1.383 180 H HN 0.351 nan 8.280 nan 0.000 0.508 181 D N 0.890 121.377 120.400 0.145 0.000 2.104 181 D HA -0.148 4.361 4.640 -0.219 0.000 0.194 181 D C 2.260 178.634 176.300 0.123 0.000 0.994 181 D CA 1.012 55.150 54.000 0.231 0.000 0.830 181 D CB -0.280 40.697 40.800 0.295 0.000 0.959 181 D HN 0.505 nan 8.370 nan 0.000 0.452 182 Q N -0.028 119.748 119.800 -0.039 0.000 2.084 182 Q HA -0.149 4.060 4.340 -0.219 0.000 0.202 182 Q C 2.253 178.077 176.000 -0.293 0.000 0.978 182 Q CA 1.010 56.692 55.803 -0.201 0.000 0.844 182 Q CB -0.035 28.560 28.738 -0.238 0.000 0.898 182 Q HN 0.017 nan 8.270 nan 0.000 0.426 183 R N 0.886 121.229 120.500 -0.263 0.000 2.081 183 R HA -0.137 4.071 4.340 -0.219 0.000 0.235 183 R C 1.987 178.160 176.300 -0.211 0.000 1.131 183 R CA 1.001 56.906 56.100 -0.325 0.000 0.960 183 R CB -0.639 29.416 30.300 -0.407 0.000 0.856 183 R HN 0.244 nan 8.270 nan 0.000 0.436 184 L N 0.022 121.199 121.223 -0.077 0.000 2.083 184 L HA 0.032 4.241 4.340 -0.219 0.000 0.209 184 L C 2.007 178.820 176.870 -0.095 0.000 1.083 184 L CA 2.143 56.986 54.840 0.005 0.000 0.752 184 L CB -0.857 41.332 42.059 0.217 0.000 0.899 184 L HN 0.243 nan 8.230 nan 0.000 0.433 185 A N -0.818 121.795 122.820 -0.344 0.000 1.933 185 A HA -0.227 3.962 4.320 -0.219 0.000 0.218 185 A C 2.255 179.685 177.584 -0.257 0.000 1.175 185 A CA 2.071 53.735 52.037 -0.622 0.000 0.628 185 A CB -0.540 17.907 19.000 -0.922 0.000 0.814 185 A HN 0.531 nan 8.150 nan 0.000 0.444 186 M N -1.018 118.422 119.600 -0.266 0.000 2.175 186 M HA -0.207 4.142 4.480 -0.219 0.000 0.264 186 M C 2.373 178.578 176.300 -0.158 0.000 1.063 186 M CA 1.615 56.794 55.300 -0.203 0.000 1.119 186 M CB -0.349 32.087 32.600 -0.272 0.000 1.377 186 M HN 0.474 nan 8.290 nan 0.000 0.415 187 Q N -1.100 118.542 119.800 -0.263 0.000 2.119 187 Q HA -0.208 4.000 4.340 -0.219 0.000 0.201 187 Q C 1.821 177.746 176.000 -0.125 0.000 0.972 187 Q CA 1.556 57.069 55.803 -0.483 0.000 0.847 187 Q CB -0.261 27.946 28.738 -0.885 0.000 0.903 187 Q HN 0.641 nan 8.270 nan 0.000 0.433 188 W N 0.606 121.798 121.300 -0.180 0.000 2.338 188 W HA -0.230 4.299 4.660 -0.218 0.000 0.304 188 W C 1.822 178.297 176.519 -0.073 0.000 1.212 188 W CA 1.339 58.637 57.345 -0.079 0.000 1.264 188 W CB -0.147 29.241 29.460 -0.120 0.000 1.142 188 W HN -0.156 nan 8.180 nan 0.000 0.512 189 V N 1.292 121.327 119.914 0.202 0.000 2.343 189 V HA -0.321 3.668 4.120 -0.219 0.000 0.247 189 V C 2.524 178.572 176.094 -0.076 0.000 1.051 189 V CA 2.151 64.492 62.300 0.068 0.000 1.036 189 V CB -1.684 30.189 31.823 0.083 0.000 0.654 189 V HN 0.356 nan 8.190 nan 0.000 0.451 190 A N -0.091 122.718 122.820 -0.018 0.000 1.908 190 A HA -0.264 3.924 4.320 -0.219 0.000 0.218 190 A C 1.970 179.547 177.584 -0.011 0.000 1.181 190 A CA 2.179 54.239 52.037 0.037 0.000 0.627 190 A CB -0.549 18.565 19.000 0.189 0.000 0.818 190 A HN 0.571 nan 8.150 nan 0.000 0.445 191 D N -0.730 119.635 120.400 -0.059 0.000 2.249 191 D HA -0.027 4.482 4.640 -0.219 0.000 0.205 191 D C 1.246 177.378 176.300 -0.280 0.000 0.962 191 D CA 0.816 54.740 54.000 -0.126 0.000 0.860 191 D CB -0.175 40.574 40.800 -0.085 0.000 0.955 191 D HN 0.540 nan 8.370 nan 0.000 0.505 192 N N -0.103 118.286 118.700 -0.519 0.000 2.317 192 N HA 0.021 4.630 4.740 -0.219 0.000 0.199 192 N C 1.608 176.975 175.510 -0.237 0.000 1.145 192 N CA -0.175 52.538 53.050 -0.561 0.000 0.882 192 N CB 0.930 38.614 38.487 -1.340 0.000 1.113 192 N HN 0.008 nan 8.380 nan 0.000 0.486 193 I N 2.643 123.087 120.570 -0.210 0.000 2.335 193 I HA -0.163 3.876 4.170 -0.219 0.000 0.251 193 I C 2.273 178.452 176.117 0.104 0.000 1.129 193 I CA 0.589 61.882 61.300 -0.012 0.000 1.402 193 I CB -0.333 37.646 38.000 -0.036 0.000 1.069 193 I HN 0.054 nan 8.210 nan 0.000 0.424 194 A N 0.105 122.940 122.820 0.025 0.000 1.917 194 A HA -0.185 4.003 4.320 -0.219 0.000 0.219 194 A C 2.424 180.023 177.584 0.025 0.000 1.182 194 A CA 1.794 53.843 52.037 0.019 0.000 0.633 194 A CB -1.689 17.302 19.000 -0.016 0.000 0.819 194 A HN 0.474 nan 8.150 nan 0.000 0.448 195 G N -2.466 106.336 108.800 0.004 0.000 2.586 195 G HA2 -0.012 3.816 3.960 -0.219 0.000 0.215 195 G HA3 -0.012 3.816 3.960 -0.219 0.000 0.215 195 G C 0.973 175.724 174.900 -0.248 0.000 1.128 195 G CA 0.821 45.847 45.100 -0.124 0.000 0.774 195 G HN 0.463 nan 8.290 nan 0.000 0.543 196 F N -0.513 119.354 119.950 -0.140 0.000 2.731 196 F HA 0.363 4.762 4.527 -0.213 0.000 0.298 196 F C 1.922 177.685 175.800 -0.062 0.000 1.106 196 F CA 0.320 58.222 58.000 -0.163 0.000 1.329 196 F CB 0.824 39.718 39.000 -0.176 0.000 1.100 196 F HN 0.205 nan 8.300 nan 0.000 0.592 197 G N 0.027 108.898 108.800 0.120 0.000 2.159 197 G HA2 -0.076 3.753 3.960 -0.219 0.000 0.170 197 G HA3 -0.076 3.753 3.960 -0.219 0.000 0.170 197 G C 0.489 175.437 174.900 0.080 0.000 1.007 197 G CA -0.390 44.760 45.100 0.083 0.000 0.672 197 G HN 0.675 nan 8.290 nan 0.000 0.507 198 G N -0.701 108.152 108.800 0.089 0.000 2.488 198 G HA2 0.528 4.357 3.960 -0.219 0.000 0.318 198 G HA3 0.528 4.357 3.960 -0.219 0.000 0.318 198 G C -1.167 173.754 174.900 0.034 0.000 1.188 198 G CA 0.103 45.238 45.100 0.059 0.000 0.944 198 G HN 0.183 nan 8.290 nan 0.000 0.495 199 D N 0.422 120.835 120.400 0.022 0.000 2.441 199 D HA 0.298 4.807 4.640 -0.219 0.000 0.231 199 D C -1.279 175.026 176.300 0.008 0.000 1.073 199 D CA -2.187 51.820 54.000 0.011 0.000 0.850 199 D CB 2.215 43.019 40.800 0.006 0.000 1.062 199 D HN 0.039 nan 8.370 nan 0.000 0.524 200 P HA -0.132 nan 4.420 nan 0.000 0.223 200 P C 0.857 178.164 177.300 0.011 0.000 1.144 200 P CA 0.679 63.783 63.100 0.007 0.000 0.783 200 P CB 0.206 31.906 31.700 -0.000 0.000 0.771 201 S N -1.458 114.244 115.700 0.003 0.000 2.575 201 S HA 0.138 4.476 4.470 -0.219 0.000 0.215 201 S C 1.026 175.625 174.600 -0.002 0.000 0.966 201 S CA -0.176 58.023 58.200 -0.001 0.000 0.911 201 S CB -0.437 62.758 63.200 -0.009 0.000 0.780 201 S HN 0.129 nan 8.310 nan 0.000 0.514 202 K N 1.646 122.047 120.400 0.002 0.000 3.202 202 K HA 0.377 4.566 4.320 -0.219 0.000 0.206 202 K C -1.253 175.350 176.600 0.004 0.000 1.142 202 K CA -0.210 56.073 56.287 -0.008 0.000 0.979 202 K CB 1.436 33.927 32.500 -0.016 0.000 0.863 202 K HN 0.146 nan 8.250 nan 0.000 0.479 203 V N 1.303 121.238 119.914 0.034 0.000 2.432 203 V HA 0.210 4.199 4.120 -0.219 0.000 0.275 203 V C 0.207 176.345 176.094 0.074 0.000 1.043 203 V CA -0.200 62.134 62.300 0.056 0.000 0.925 203 V CB 1.571 33.446 31.823 0.087 0.000 0.985 203 V HN 0.269 nan 8.190 nan 0.000 0.466 204 T N 6.492 121.067 114.554 0.034 0.000 2.791 204 T HA 0.552 4.770 4.350 -0.219 0.000 0.288 204 T C -0.161 174.563 174.700 0.041 0.000 0.999 204 T CA -0.190 61.922 62.100 0.020 0.000 0.952 204 T CB 0.632 69.478 68.868 -0.037 0.000 0.938 204 T HN 0.587 nan 8.240 nan 0.000 0.444 205 I N 2.540 123.087 120.570 -0.038 0.000 2.396 205 I HA 0.776 4.814 4.170 -0.219 0.000 0.292 205 I C -0.564 175.600 176.117 0.078 0.000 0.999 205 I CA -1.053 60.207 61.300 -0.066 0.000 1.310 205 I CB 0.659 38.426 38.000 -0.389 0.000 1.404 205 I HN 0.723 nan 8.210 nan 0.000 0.496 206 Y N 2.933 123.177 120.300 -0.094 0.000 2.597 206 Y HA 0.953 5.389 4.550 -0.191 0.000 0.340 206 Y C -0.442 175.382 175.900 -0.126 0.000 1.097 206 Y CA -1.007 57.070 58.100 -0.038 0.000 1.037 206 Y CB 1.856 40.379 38.460 0.105 0.000 1.305 206 Y HN 0.912 nan 8.280 nan 0.000 0.463 207 G N 1.100 109.741 108.800 -0.265 0.000 2.623 207 G HA2 0.443 4.271 3.960 -0.219 0.000 0.290 207 G HA3 0.443 4.271 3.960 -0.219 0.000 0.290 207 G C -2.463 172.221 174.900 -0.361 0.000 1.437 207 G CA -0.874 43.762 45.100 -0.773 0.000 0.798 207 G HN 0.704 nan 8.290 nan 0.000 0.488 208 E N 0.274 120.191 120.200 -0.472 0.000 2.238 208 E HA 0.624 4.843 4.350 -0.219 0.000 0.267 208 E C 0.722 177.207 176.600 -0.192 0.000 0.887 208 E CA 0.287 56.582 56.400 -0.174 0.000 0.769 208 E CB 2.094 31.759 29.700 -0.059 0.000 1.187 208 E HN 0.865 nan 8.360 nan 0.000 0.416 209 S N 3.107 118.772 115.700 -0.060 0.000 4.138 209 S HA -0.407 3.932 4.470 -0.219 0.000 0.574 209 S C 1.514 176.182 174.600 0.114 0.000 1.895 209 S CA 2.488 60.787 58.200 0.165 0.000 4.239 209 S CB -1.600 61.706 63.200 0.177 0.000 0.264 209 S HN 0.967 nan 8.310 nan 0.000 0.489 210 A N 0.985 123.778 122.820 -0.045 0.000 2.024 210 A HA 0.170 4.359 4.320 -0.219 0.000 0.220 210 A C 2.423 179.763 177.584 -0.406 0.000 1.164 210 A CA 2.340 54.070 52.037 -0.511 0.000 0.643 210 A CB -1.446 16.895 19.000 -1.099 0.000 0.806 210 A HN 1.552 nan 8.150 nan 0.000 0.451 211 G N -1.459 107.139 108.800 -0.337 0.000 2.464 211 G HA2 -0.039 3.789 3.960 -0.219 0.000 0.217 211 G HA3 -0.039 3.789 3.960 -0.219 0.000 0.217 211 G C 1.783 176.497 174.900 -0.311 0.000 1.138 211 G CA 1.209 46.051 45.100 -0.431 0.000 0.793 211 G HN 0.535 nan 8.290 nan 0.000 0.539 212 S N -0.183 115.410 115.700 -0.178 0.000 2.395 212 S HA 0.031 4.370 4.470 -0.219 0.000 0.225 212 S C 2.438 177.023 174.600 -0.024 0.000 1.027 212 S CA 0.854 59.001 58.200 -0.088 0.000 0.965 212 S CB -0.241 62.957 63.200 -0.004 0.000 0.812 212 S HN 0.340 nan 8.310 nan 0.000 0.482 213 M N 0.720 120.353 119.600 0.054 0.000 2.175 213 M HA -0.038 4.311 4.480 -0.219 0.000 0.264 213 M C 2.328 178.709 176.300 0.135 0.000 1.063 213 M CA 1.105 56.484 55.300 0.133 0.000 1.119 213 M CB -0.349 32.404 32.600 0.256 0.000 1.377 213 M HN 0.259 nan 8.290 nan 0.000 0.415 214 S N -0.095 115.638 115.700 0.056 0.000 2.368 214 S HA -0.116 4.223 4.470 -0.219 0.000 0.224 214 S C 1.922 176.447 174.600 -0.125 0.000 1.029 214 S CA 1.715 59.870 58.200 -0.074 0.000 0.988 214 S CB -0.396 62.694 63.200 -0.184 0.000 0.838 214 S HN 0.467 nan 8.310 nan 0.000 0.462 215 T N 1.902 116.401 114.554 -0.092 0.000 2.720 215 T HA -0.108 4.111 4.350 -0.219 0.000 0.268 215 T C 1.439 176.066 174.700 -0.121 0.000 1.037 215 T CA 1.419 63.455 62.100 -0.106 0.000 1.144 215 T CB -0.445 68.331 68.868 -0.153 0.000 0.864 215 T HN 0.486 nan 8.240 nan 0.000 0.444 216 F N 1.909 121.737 119.950 -0.203 0.000 2.134 216 F HA -0.100 4.279 4.527 -0.246 0.000 0.299 216 F C 2.176 177.920 175.800 -0.093 0.000 1.097 216 F CA 0.694 58.563 58.000 -0.218 0.000 1.264 216 F CB -0.713 38.110 39.000 -0.294 0.000 1.001 216 F HN -0.089 nan 8.300 nan 0.000 0.479 217 V N 0.743 120.490 119.914 -0.278 0.000 2.332 217 V HA -0.350 3.638 4.120 -0.219 0.000 0.248 217 V C 2.480 178.413 176.094 -0.269 0.000 1.055 217 V CA 2.324 64.443 62.300 -0.302 0.000 1.038 217 V CB -1.029 30.694 31.823 -0.166 0.000 0.651 217 V HN 0.451 nan 8.190 nan 0.000 0.450 218 H N -0.616 118.363 119.070 -0.153 0.000 2.489 218 H HA -0.021 4.396 4.556 -0.233 0.000 0.293 218 H C 2.206 177.606 175.328 0.119 0.000 1.066 218 H CA 1.234 57.230 56.048 -0.086 0.000 1.305 218 H CB -0.061 29.523 29.762 -0.298 0.000 1.386 218 H HN 0.376 nan 8.280 nan 0.000 0.551 219 L N 0.314 121.563 121.223 0.043 0.000 2.072 219 L HA -0.085 4.124 4.340 -0.219 0.000 0.205 219 L C 2.325 179.303 176.870 0.180 0.000 1.079 219 L CA 0.911 55.855 54.840 0.174 0.000 0.752 219 L CB -0.152 41.903 42.059 -0.007 0.000 0.906 219 L HN 0.129 nan 8.230 nan 0.000 0.436 220 V N -5.314 114.576 119.914 -0.041 0.000 3.649 220 V HA 0.013 4.001 4.120 -0.219 0.000 0.275 220 V C 0.827 177.010 176.094 0.148 0.000 1.281 220 V CA -0.801 61.531 62.300 0.053 0.000 1.143 220 V CB -0.798 30.980 31.823 -0.076 0.000 0.892 220 V HN 0.316 nan 8.190 nan 0.000 0.441 221 W N 2.996 124.301 121.300 0.008 0.000 2.295 221 W HA 0.072 4.603 4.660 -0.216 0.000 0.335 221 W C 0.555 177.135 176.519 0.102 0.000 1.351 221 W CA 0.554 57.939 57.345 0.068 0.000 1.273 221 W CB -0.011 29.520 29.460 0.118 0.000 1.214 221 W HN 0.550 nan 8.180 nan 0.000 0.563 222 N N 4.429 123.024 118.700 -0.175 0.000 2.727 222 N HA -0.243 4.366 4.740 -0.219 0.000 0.249 222 N C -0.114 175.383 175.510 -0.021 0.000 1.048 222 N CA 1.940 54.910 53.050 -0.133 0.000 0.714 222 N CB -1.284 37.207 38.487 0.006 0.000 0.959 222 N HN 0.516 nan 8.380 nan 0.000 0.544 223 D N -1.893 118.498 120.400 -0.015 0.000 2.911 223 D HA -0.201 4.308 4.640 -0.219 0.000 0.227 223 D C 1.131 177.469 176.300 0.063 0.000 1.164 223 D CA 2.235 56.243 54.000 0.013 0.000 0.782 223 D CB -1.414 39.370 40.800 -0.026 0.000 1.094 223 D HN 0.892 nan 8.370 nan 0.000 0.425 224 G N 0.047 108.931 108.800 0.139 0.000 2.176 224 G HA2 -0.282 3.547 3.960 -0.219 0.000 0.232 224 G HA3 -0.282 3.547 3.960 -0.219 0.000 0.232 224 G C -0.148 174.847 174.900 0.159 0.000 0.986 224 G CA 0.178 45.395 45.100 0.195 0.000 0.643 224 G HN 0.502 nan 8.290 nan 0.000 0.522 225 D N 1.366 121.844 120.400 0.129 0.000 2.441 225 D HA 0.349 4.858 4.640 -0.219 0.000 0.221 225 D C 1.236 177.623 176.300 0.145 0.000 1.156 225 D CA -0.304 53.756 54.000 0.100 0.000 0.896 225 D CB 0.006 40.850 40.800 0.073 0.000 1.028 225 D HN 0.305 nan 8.370 nan 0.000 0.509 226 N N 1.899 120.644 118.700 0.075 0.000 2.279 226 N HA -0.024 4.585 4.740 -0.219 0.000 0.226 226 N C -0.288 175.219 175.510 -0.004 0.000 1.126 226 N CA -0.425 52.643 53.050 0.030 0.000 0.846 226 N CB -0.097 38.246 38.487 -0.241 0.000 1.050 226 N HN 0.254 nan 8.380 nan 0.000 0.502 227 T N -1.736 112.847 114.554 0.047 0.000 2.897 227 T HA 0.325 4.544 4.350 -0.219 0.000 0.294 227 T C -0.851 173.951 174.700 0.170 0.000 1.004 227 T CA -0.537 61.599 62.100 0.060 0.000 1.106 227 T CB 1.122 70.006 68.868 0.027 0.000 0.949 227 T HN 0.229 nan 8.240 nan 0.000 0.520 228 Y N 2.622 122.928 120.300 0.010 0.000 2.386 228 Y HA 0.356 4.777 4.550 -0.214 0.000 0.334 228 Y C 0.084 175.991 175.900 0.013 0.000 1.002 228 Y CA -1.223 56.896 58.100 0.032 0.000 1.068 228 Y CB 0.984 39.467 38.460 0.038 0.000 1.203 228 Y HN 0.890 nan 8.280 nan 0.000 0.443 229 N N 4.058 122.494 118.700 -0.439 0.000 2.725 229 N HA -0.200 4.409 4.740 -0.219 0.000 0.249 229 N C 0.893 176.298 175.510 -0.176 0.000 1.103 229 N CA 1.846 54.660 53.050 -0.392 0.000 0.707 229 N CB -1.261 36.890 38.487 -0.560 0.000 1.043 229 N HN 1.620 nan 8.380 nan 0.000 0.553 230 G N -1.385 107.358 108.800 -0.095 0.000 2.159 230 G HA2 -0.334 3.495 3.960 -0.219 0.000 0.256 230 G HA3 -0.334 3.495 3.960 -0.219 0.000 0.256 230 G C -0.056 174.821 174.900 -0.040 0.000 0.977 230 G CA 0.925 45.992 45.100 -0.055 0.000 0.652 230 G HN 0.532 nan 8.290 nan 0.000 0.531 231 K N 0.181 120.564 120.400 -0.028 0.000 2.426 231 K HA 0.499 4.688 4.320 -0.219 0.000 0.251 231 K C -2.954 173.642 176.600 -0.008 0.000 0.941 231 K CA -2.301 53.975 56.287 -0.018 0.000 0.808 231 K CB 2.733 35.223 32.500 -0.017 0.000 1.265 231 K HN -0.107 nan 8.250 nan 0.000 0.432 232 P HA 0.031 nan 4.420 nan 0.000 0.265 232 P C 0.265 177.492 177.300 -0.122 0.000 1.193 232 P CA 0.093 63.113 63.100 -0.132 0.000 0.765 232 P CB 0.506 32.106 31.700 -0.167 0.000 0.823 233 L N 2.553 123.664 121.223 -0.185 0.000 2.376 233 L HA 0.043 4.252 4.340 -0.219 0.000 0.219 233 L C 0.491 177.392 176.870 0.051 0.000 1.133 233 L CA 0.968 55.784 54.840 -0.040 0.000 0.816 233 L CB -0.505 41.575 42.059 0.035 0.000 0.933 233 L HN 0.463 nan 8.230 nan 0.000 0.449 234 F N -3.240 116.714 119.950 0.006 0.000 2.719 234 F HA 0.392 4.801 4.527 -0.196 0.000 0.309 234 F C 0.309 176.115 175.800 0.011 0.000 1.138 234 F CA -1.580 56.416 58.000 -0.007 0.000 0.943 234 F CB 0.862 39.847 39.000 -0.026 0.000 1.304 234 F HN -0.183 nan 8.300 nan 0.000 0.445 235 R N 0.928 121.551 120.500 0.205 0.000 2.437 235 R HA 0.877 5.086 4.340 -0.219 0.000 0.257 235 R C -0.309 176.074 176.300 0.139 0.000 0.927 235 R CA 0.258 56.420 56.100 0.104 0.000 1.078 235 R CB 0.821 31.129 30.300 0.013 0.000 1.161 235 R HN 1.050 nan 8.270 nan 0.000 0.529 236 A N 0.182 123.142 122.820 0.234 0.000 2.586 236 A HA 0.819 5.008 4.320 -0.219 0.000 0.291 236 A C -1.790 175.891 177.584 0.163 0.000 1.062 236 A CA -0.453 51.672 52.037 0.147 0.000 0.666 236 A CB 1.104 19.970 19.000 -0.222 0.000 1.281 236 A HN 0.282 nan 8.150 nan 0.000 0.421 237 A N 0.206 123.152 122.820 0.211 0.000 2.520 237 A HA 0.794 4.983 4.320 -0.219 0.000 0.298 237 A C -1.305 176.343 177.584 0.107 0.000 1.051 237 A CA -0.309 51.767 52.037 0.064 0.000 0.690 237 A CB 0.960 19.907 19.000 -0.088 0.000 1.281 237 A HN 0.979 nan 8.150 nan 0.000 0.402 238 I N 1.807 122.388 120.570 0.018 0.000 2.418 238 I HA 0.383 4.422 4.170 -0.219 0.000 0.287 238 I C -0.672 175.427 176.117 -0.031 0.000 1.008 238 I CA -0.208 61.031 61.300 -0.102 0.000 1.104 238 I CB 1.953 39.764 38.000 -0.314 0.000 1.264 238 I HN 0.635 nan 8.210 nan 0.000 0.438 239 M N 6.186 125.759 119.600 -0.044 0.000 2.043 239 M HA 0.328 4.677 4.480 -0.219 0.000 0.322 239 M C -0.763 175.594 176.300 0.096 0.000 0.962 239 M CA -0.336 54.950 55.300 -0.023 0.000 0.927 239 M CB 1.295 33.803 32.600 -0.153 0.000 1.466 239 M HN 0.441 nan 8.290 nan 0.000 0.412 240 Q N 2.167 122.080 119.800 0.188 0.000 2.490 240 Q HA 0.346 4.555 4.340 -0.219 0.000 0.226 240 Q C -0.532 175.548 176.000 0.133 0.000 1.132 240 Q CA -0.346 55.641 55.803 0.307 0.000 0.928 240 Q CB 0.682 29.636 28.738 0.360 0.000 1.299 240 Q HN 0.791 nan 8.270 nan 0.000 0.528 241 S N 1.377 117.141 115.700 0.107 0.000 3.644 241 S HA 0.022 4.361 4.470 -0.219 0.000 0.584 241 S C 0.036 174.829 174.600 0.322 0.000 0.658 241 S CA 0.230 58.508 58.200 0.130 0.000 1.414 241 S CB -1.243 61.942 63.200 -0.025 0.000 0.901 241 S HN 1.176 nan 8.310 nan 0.000 0.867 242 G N -0.245 108.751 108.800 0.326 0.000 2.528 242 G HA2 0.364 4.193 3.960 -0.219 0.000 0.681 242 G HA3 0.364 4.193 3.960 -0.219 0.000 0.681 242 G C 0.056 174.921 174.900 -0.058 0.000 1.340 242 G CA -0.187 45.073 45.100 0.265 0.000 0.855 242 G HN 1.890 nan 8.290 nan 0.000 0.649 243 C N 0.200 119.352 119.300 -0.247 0.000 3.614 243 C HA 0.827 5.156 4.460 -0.219 0.000 0.095 243 C C 0.984 175.461 174.990 -0.854 0.000 2.706 243 C CA 0.124 58.794 59.018 -0.580 0.000 1.175 243 C CB -0.474 26.704 27.740 -0.936 0.000 2.332 243 C HN 0.952 nan 8.230 nan 0.000 0.505 244 M N 2.765 121.547 119.600 -1.363 0.000 2.251 244 M HA 0.356 4.704 4.480 -0.219 0.000 0.343 244 M C -0.304 175.760 176.300 -0.393 0.000 1.245 244 M CA 0.599 55.278 55.300 -1.035 0.000 1.061 244 M CB 0.211 32.143 32.600 -1.113 0.000 1.723 244 M HN 0.414 nan 8.290 nan 0.000 0.449 245 V N 6.345 126.137 119.914 -0.203 0.000 2.406 245 V HA 0.283 4.272 4.120 -0.219 0.000 0.272 245 V C -1.796 174.131 176.094 -0.278 0.000 1.043 245 V CA -1.280 60.909 62.300 -0.185 0.000 0.915 245 V CB 1.006 32.719 31.823 -0.183 0.000 0.988 245 V HN 0.705 nan 8.190 nan 0.000 0.466 246 P HA 0.139 nan 4.420 nan 0.000 0.237 246 P C -0.312 176.526 177.300 -0.771 0.000 1.788 246 P CA 0.127 62.854 63.100 -0.621 0.000 1.061 246 P CB 0.076 31.704 31.700 -0.120 0.000 1.967 247 S N 0.629 115.799 115.700 -0.885 0.000 2.542 247 S HA 0.495 4.833 4.470 -0.219 0.000 0.293 247 S C -0.401 174.081 174.600 -0.197 0.000 1.089 247 S CA -0.867 57.100 58.200 -0.389 0.000 0.961 247 S CB 1.574 64.648 63.200 -0.210 0.000 1.062 247 S HN -0.035 nan 8.310 nan 0.000 0.483 248 D N 2.493 122.942 120.400 0.082 0.000 2.377 248 D HA 0.402 4.911 4.640 -0.219 0.000 0.245 248 D C -2.088 174.256 176.300 0.074 0.000 1.196 248 D CA -1.031 53.066 54.000 0.161 0.000 0.962 248 D CB 0.173 41.095 40.800 0.203 0.000 1.127 248 D HN 0.373 nan 8.370 nan 0.000 0.471 249 P HA -0.034 nan 4.420 nan 0.000 0.271 249 P C 1.110 178.431 177.300 0.035 0.000 1.233 249 P CA -0.339 62.786 63.100 0.042 0.000 0.789 249 P CB 0.765 32.485 31.700 0.034 0.000 0.951 250 V N 1.086 121.015 119.914 0.026 0.000 2.278 250 V HA -0.264 3.725 4.120 -0.219 0.000 0.251 250 V C 1.680 177.768 176.094 -0.010 0.000 1.062 250 V CA 2.745 65.054 62.300 0.015 0.000 1.038 250 V CB -1.516 30.317 31.823 0.017 0.000 0.646 250 V HN 0.680 nan 8.190 nan 0.000 0.447 251 D N -0.090 120.303 120.400 -0.012 0.000 2.336 251 D HA 0.184 4.693 4.640 -0.219 0.000 0.228 251 D C 0.937 177.241 176.300 0.007 0.000 1.120 251 D CA 0.515 54.499 54.000 -0.026 0.000 0.839 251 D CB -0.519 40.261 40.800 -0.033 0.000 0.932 251 D HN 0.353 nan 8.370 nan 0.000 0.509 252 G N -0.122 108.698 108.800 0.033 0.000 2.583 252 G HA2 0.131 3.960 3.960 -0.219 0.000 0.275 252 G HA3 0.131 3.960 3.960 -0.219 0.000 0.275 252 G C 1.006 175.953 174.900 0.079 0.000 1.342 252 G CA 0.101 45.243 45.100 0.069 0.000 1.030 252 G HN 0.088 nan 8.290 nan 0.000 0.520 253 T N -0.899 113.725 114.554 0.116 0.000 2.643 253 T HA -0.198 4.021 4.350 -0.219 0.000 0.264 253 T C 1.984 176.772 174.700 0.147 0.000 1.045 253 T CA 1.840 64.007 62.100 0.113 0.000 1.155 253 T CB -0.408 68.522 68.868 0.102 0.000 0.863 253 T HN 0.389 nan 8.240 nan 0.000 0.420 254 Y N 1.740 122.040 120.300 0.000 0.000 2.373 254 Y HA 0.141 4.557 4.550 -0.224 0.000 0.293 254 Y C 2.456 178.336 175.900 -0.033 0.000 1.129 254 Y CA 0.426 58.509 58.100 -0.028 0.000 1.226 254 Y CB -0.822 37.612 38.460 -0.043 0.000 1.000 254 Y HN 0.210 nan 8.280 nan 0.000 0.549 255 G N -1.630 107.166 108.800 -0.006 0.000 2.408 255 G HA2 -0.204 3.625 3.960 -0.219 0.000 0.217 255 G HA3 -0.204 3.625 3.960 -0.219 0.000 0.217 255 G C 1.710 176.572 174.900 -0.064 0.000 1.150 255 G CA 1.355 46.408 45.100 -0.078 0.000 0.776 255 G HN 0.368 nan 8.290 nan 0.000 0.542 256 T N 0.238 114.784 114.554 -0.015 0.000 2.821 256 T HA -0.032 4.186 4.350 -0.219 0.000 0.267 256 T C 2.076 176.803 174.700 0.044 0.000 1.046 256 T CA 1.361 63.481 62.100 0.034 0.000 1.139 256 T CB -0.055 68.834 68.868 0.035 0.000 0.871 256 T HN 0.474 nan 8.240 nan 0.000 0.454 257 E N 0.459 120.645 120.200 -0.024 0.000 2.051 257 E HA -0.124 4.094 4.350 -0.219 0.000 0.192 257 E C 2.069 178.577 176.600 -0.153 0.000 0.991 257 E CA 0.936 57.302 56.400 -0.058 0.000 0.799 257 E CB -0.039 29.655 29.700 -0.009 0.000 0.748 257 E HN 0.262 nan 8.360 nan 0.000 0.449 258 I N 0.649 121.029 120.570 -0.318 0.000 2.286 258 I HA -0.251 3.787 4.170 -0.219 0.000 0.248 258 I C 2.311 178.342 176.117 -0.143 0.000 1.115 258 I CA 1.203 62.293 61.300 -0.350 0.000 1.392 258 I CB -1.150 36.489 38.000 -0.601 0.000 1.065 258 I HN 0.302 nan 8.210 nan 0.000 0.418 259 Y N 2.784 122.972 120.300 -0.187 0.000 2.145 259 Y HA -0.239 4.179 4.550 -0.220 0.000 0.286 259 Y C 2.388 178.222 175.900 -0.110 0.000 1.145 259 Y CA 1.753 59.772 58.100 -0.134 0.000 1.148 259 Y CB -0.476 37.909 38.460 -0.125 0.000 0.981 259 Y HN 0.199 nan 8.280 nan 0.000 0.507 260 N N 0.362 118.969 118.700 -0.154 0.000 2.205 260 N HA -0.202 4.407 4.740 -0.219 0.000 0.186 260 N C 1.777 177.160 175.510 -0.212 0.000 1.015 260 N CA 1.504 54.422 53.050 -0.221 0.000 0.862 260 N CB -0.447 38.000 38.487 -0.065 0.000 0.986 260 N HN 0.476 nan 8.380 nan 0.000 0.429 261 Q N 0.987 120.690 119.800 -0.161 0.000 2.046 261 Q HA 0.023 4.232 4.340 -0.219 0.000 0.200 261 Q C 1.951 177.866 176.000 -0.142 0.000 0.975 261 Q CA 1.009 56.736 55.803 -0.126 0.000 0.836 261 Q CB -0.335 28.342 28.738 -0.101 0.000 0.896 261 Q HN 0.090 nan 8.270 nan 0.000 0.428 262 V N -0.406 119.406 119.914 -0.169 0.000 2.295 262 V HA -0.243 3.745 4.120 -0.219 0.000 0.246 262 V C 2.290 178.259 176.094 -0.208 0.000 1.049 262 V CA 1.655 63.858 62.300 -0.161 0.000 1.024 262 V CB -0.630 31.104 31.823 -0.148 0.000 0.648 262 V HN 0.247 nan 8.190 nan 0.000 0.447 263 V N 0.170 119.879 119.914 -0.342 0.000 2.287 263 V HA -0.281 3.708 4.120 -0.219 0.000 0.248 263 V C 2.679 178.664 176.094 -0.182 0.000 1.053 263 V CA 2.158 64.266 62.300 -0.320 0.000 1.027 263 V CB -1.076 30.449 31.823 -0.496 0.000 0.646 263 V HN 0.573 nan 8.190 nan 0.000 0.447 264 A N -0.582 122.140 122.820 -0.163 0.000 1.877 264 A HA -0.194 3.995 4.320 -0.219 0.000 0.216 264 A C 2.451 179.991 177.584 -0.073 0.000 1.186 264 A CA 2.203 54.180 52.037 -0.100 0.000 0.620 264 A CB -0.721 18.227 19.000 -0.086 0.000 0.822 264 A HN 0.507 nan 8.150 nan 0.000 0.443 265 S N -0.254 115.401 115.700 -0.075 0.000 2.447 265 S HA 0.066 4.405 4.470 -0.219 0.000 0.233 265 S C 1.924 176.501 174.600 -0.038 0.000 1.006 265 S CA 0.889 59.059 58.200 -0.051 0.000 0.957 265 S CB -0.240 62.929 63.200 -0.051 0.000 0.773 265 S HN 0.762 nan 8.310 nan 0.000 0.507 266 A N 0.387 123.177 122.820 -0.050 0.000 2.238 266 A HA 0.496 4.685 4.320 -0.219 0.000 0.208 266 A C 1.546 179.121 177.584 -0.015 0.000 1.177 266 A CA 0.651 52.673 52.037 -0.025 0.000 0.804 266 A CB -0.660 18.323 19.000 -0.029 0.000 0.823 266 A HN 0.844 nan 8.150 nan 0.000 0.482 267 G N -2.425 106.359 108.800 -0.026 0.000 2.149 267 G HA2 -0.254 3.575 3.960 -0.219 0.000 0.235 267 G HA3 -0.254 3.575 3.960 -0.219 0.000 0.235 267 G C 0.400 175.289 174.900 -0.019 0.000 1.018 267 G CA 0.207 45.297 45.100 -0.017 0.000 0.728 267 G HN 0.626 nan 8.290 nan 0.000 0.508 268 c N 0.386 118.964 118.600 -0.037 0.000 3.000 268 c HA 0.504 4.943 4.570 -0.219 0.000 0.286 268 c C 2.563 176.626 174.090 -0.045 0.000 1.343 268 c CA 0.402 56.710 56.329 -0.035 0.000 1.742 268 c CB -0.497 41.988 42.510 -0.041 0.000 2.200 268 c HN 0.814 nan 8.230 nan 0.000 0.621 269 G N 0.653 109.424 108.800 -0.049 0.000 2.498 269 G HA2 -0.116 3.712 3.960 -0.219 0.000 0.219 269 G HA3 -0.116 3.712 3.960 -0.219 0.000 0.219 269 G C 1.341 176.226 174.900 -0.025 0.000 1.119 269 G CA 0.986 46.057 45.100 -0.047 0.000 0.766 269 G HN 0.551 nan 8.290 nan 0.000 0.552 270 S N -0.060 115.631 115.700 -0.015 0.000 2.602 270 S HA 0.581 4.920 4.470 -0.219 0.000 0.240 270 S C 0.821 175.422 174.600 0.001 0.000 0.992 270 S CA -0.113 58.084 58.200 -0.006 0.000 0.971 270 S CB 0.729 63.927 63.200 -0.004 0.000 0.855 270 S HN 0.571 nan 8.310 nan 0.000 0.481 271 A N 1.809 124.630 122.820 0.001 0.000 2.401 271 A HA 0.483 4.671 4.320 -0.219 0.000 0.259 271 A C 1.356 178.950 177.584 0.016 0.000 1.103 271 A CA -0.258 51.785 52.037 0.010 0.000 0.789 271 A CB 0.309 19.317 19.000 0.013 0.000 1.035 271 A HN 0.392 nan 8.150 nan 0.000 0.491 272 S N 0.786 116.498 115.700 0.020 0.000 2.453 272 S HA -0.052 4.286 4.470 -0.219 0.000 0.231 272 S C 0.366 174.984 174.600 0.030 0.000 1.005 272 S CA 1.193 59.407 58.200 0.022 0.000 0.949 272 S CB -0.009 63.203 63.200 0.020 0.000 0.774 272 S HN 0.728 nan 8.310 nan 0.000 0.510 273 D N 0.703 121.125 120.400 0.036 0.000 2.408 273 D HA 0.350 4.858 4.640 -0.219 0.000 0.261 273 D C 0.413 176.747 176.300 0.058 0.000 1.190 273 D CA -0.400 53.629 54.000 0.048 0.000 0.910 273 D CB 1.103 41.931 40.800 0.047 0.000 1.097 273 D HN 0.080 nan 8.370 nan 0.000 0.522 274 K N 1.627 122.068 120.400 0.068 0.000 2.032 274 K HA -0.151 4.037 4.320 -0.219 0.000 0.209 274 K C 1.685 178.343 176.600 0.098 0.000 1.048 274 K CA 0.885 57.213 56.287 0.070 0.000 0.927 274 K CB 0.193 32.750 32.500 0.094 0.000 0.712 274 K HN 0.263 nan 8.250 nan 0.000 0.441 275 L N 0.915 122.217 121.223 0.132 0.000 2.017 275 L HA -0.162 4.047 4.340 -0.219 0.000 0.208 275 L C 2.362 179.331 176.870 0.166 0.000 1.073 275 L CA 1.821 56.754 54.840 0.154 0.000 0.745 275 L CB -1.017 41.121 42.059 0.131 0.000 0.894 275 L HN 0.174 nan 8.230 nan 0.000 0.432 276 A N -1.861 121.029 122.820 0.118 0.000 1.933 276 A HA -0.289 3.899 4.320 -0.219 0.000 0.218 276 A C 2.573 180.214 177.584 0.095 0.000 1.175 276 A CA 1.770 53.867 52.037 0.100 0.000 0.628 276 A CB -1.419 17.623 19.000 0.071 0.000 0.814 276 A HN 0.600 nan 8.150 nan 0.000 0.444 277 c N -0.600 118.049 118.600 0.082 0.000 2.446 277 c HA 0.018 4.457 4.570 -0.219 0.000 0.277 277 c C 2.591 176.733 174.090 0.087 0.000 1.275 277 c CA 1.069 57.437 56.329 0.065 0.000 1.727 277 c CB -1.510 41.024 42.510 0.040 0.000 2.010 277 c HN 0.589 nan 8.230 nan 0.000 0.486 278 L N 0.174 121.470 121.223 0.122 0.000 2.083 278 L HA -0.085 4.123 4.340 -0.219 0.000 0.209 278 L C 2.884 179.890 176.870 0.226 0.000 1.083 278 L CA 1.483 56.434 54.840 0.184 0.000 0.752 278 L CB -0.633 41.574 42.059 0.246 0.000 0.899 278 L HN 0.318 nan 8.230 nan 0.000 0.433 279 R N -0.330 120.300 120.500 0.216 0.000 2.280 279 R HA -0.033 4.176 4.340 -0.219 0.000 0.207 279 R C 1.834 178.179 176.300 0.075 0.000 1.043 279 R CA 0.786 56.961 56.100 0.126 0.000 1.006 279 R CB -0.196 30.175 30.300 0.118 0.000 0.885 279 R HN 0.335 nan 8.270 nan 0.000 0.467 280 G N -0.097 108.750 108.800 0.079 0.000 3.233 280 G HA2 0.160 3.988 3.960 -0.219 0.000 0.234 280 G HA3 0.160 3.988 3.960 -0.219 0.000 0.234 280 G C 0.264 175.198 174.900 0.058 0.000 1.137 280 G CA -0.362 44.773 45.100 0.058 0.000 0.763 280 G HN 0.011 nan 8.290 nan 0.000 0.549 281 L N 1.948 123.215 121.223 0.072 0.000 2.395 281 L HA 0.323 4.532 4.340 -0.219 0.000 0.269 281 L C 1.192 178.109 176.870 0.078 0.000 1.133 281 L CA -0.675 54.210 54.840 0.075 0.000 0.812 281 L CB 1.307 43.420 42.059 0.090 0.000 1.125 281 L HN 0.198 nan 8.230 nan 0.000 0.452 282 S N 0.797 116.542 115.700 0.075 0.000 2.589 282 S HA -0.017 4.322 4.470 -0.219 0.000 0.265 282 S C 0.695 175.361 174.600 0.111 0.000 1.342 282 S CA -0.331 57.914 58.200 0.075 0.000 1.005 282 S CB 1.102 64.340 63.200 0.064 0.000 0.909 282 S HN 0.748 nan 8.310 nan 0.000 0.555 283 Q N 0.245 120.107 119.800 0.104 0.000 2.124 283 Q HA -0.173 4.036 4.340 -0.219 0.000 0.202 283 Q C 1.125 177.249 176.000 0.207 0.000 0.977 283 Q CA 1.875 57.768 55.803 0.151 0.000 0.850 283 Q CB -0.177 28.603 28.738 0.071 0.000 0.901 283 Q HN 0.798 nan 8.270 nan 0.000 0.429 284 D N -0.746 119.742 120.400 0.146 0.000 2.117 284 D HA -0.109 4.400 4.640 -0.219 0.000 0.198 284 D C 1.773 178.214 176.300 0.234 0.000 0.982 284 D CA 1.609 55.717 54.000 0.180 0.000 0.828 284 D CB -0.124 40.737 40.800 0.103 0.000 0.967 284 D HN 0.268 nan 8.370 nan 0.000 0.464 285 T N 1.667 116.320 114.554 0.165 0.000 2.737 285 T HA -0.133 4.086 4.350 -0.219 0.000 0.265 285 T C 1.949 176.733 174.700 0.140 0.000 1.038 285 T CA 0.436 62.615 62.100 0.131 0.000 1.144 285 T CB -0.302 68.619 68.868 0.088 0.000 0.866 285 T HN 0.017 nan 8.240 nan 0.000 0.434 286 L N 0.501 121.830 121.223 0.176 0.000 2.083 286 L HA -0.018 4.191 4.340 -0.219 0.000 0.209 286 L C 2.103 179.078 176.870 0.174 0.000 1.083 286 L CA 1.589 56.512 54.840 0.138 0.000 0.752 286 L CB -0.920 41.251 42.059 0.186 0.000 0.899 286 L HN 0.326 nan 8.230 nan 0.000 0.433 287 Y N -0.312 120.162 120.300 0.290 0.000 2.145 287 Y HA -0.250 4.167 4.550 -0.222 0.000 0.286 287 Y C 2.526 178.546 175.900 0.201 0.000 1.145 287 Y CA 1.928 60.267 58.100 0.399 0.000 1.148 287 Y CB -0.203 38.457 38.460 0.333 0.000 0.981 287 Y HN 0.259 nan 8.280 nan 0.000 0.507 288 Q N 0.464 120.341 119.800 0.128 0.000 2.050 288 Q HA -0.180 4.028 4.340 -0.219 0.000 0.202 288 Q C 2.594 178.552 176.000 -0.071 0.000 0.980 288 Q CA 1.632 57.435 55.803 -0.001 0.000 0.840 288 Q CB -1.121 27.678 28.738 0.102 0.000 0.898 288 Q HN 0.632 nan 8.270 nan 0.000 0.424 289 A N 0.424 123.223 122.820 -0.036 0.000 1.940 289 A HA -0.171 4.018 4.320 -0.219 0.000 0.219 289 A C 2.341 179.869 177.584 -0.094 0.000 1.176 289 A CA 2.081 54.083 52.037 -0.059 0.000 0.631 289 A CB -0.820 18.148 19.000 -0.053 0.000 0.814 289 A HN 0.416 nan 8.150 nan 0.000 0.446 290 T N 0.426 114.887 114.554 -0.155 0.000 2.821 290 T HA -0.117 4.101 4.350 -0.219 0.000 0.267 290 T C 2.169 176.808 174.700 -0.102 0.000 1.046 290 T CA 1.734 63.731 62.100 -0.170 0.000 1.139 290 T CB -0.402 68.227 68.868 -0.400 0.000 0.871 290 T HN 0.794 nan 8.240 nan 0.000 0.454 291 S N 1.419 116.996 115.700 -0.205 0.000 2.547 291 S HA -0.084 4.254 4.470 -0.219 0.000 0.235 291 S C 1.011 175.575 174.600 -0.061 0.000 0.980 291 S CA 0.639 58.738 58.200 -0.169 0.000 0.941 291 S CB -0.264 62.764 63.200 -0.286 0.000 0.763 291 S HN 0.307 nan 8.310 nan 0.000 0.532 292 D N 2.139 122.511 120.400 -0.046 0.000 2.325 292 D HA 0.148 4.657 4.640 -0.219 0.000 0.225 292 D C 0.493 176.791 176.300 -0.004 0.000 1.096 292 D CA 0.390 54.377 54.000 -0.021 0.000 0.844 292 D CB 0.536 41.319 40.800 -0.029 0.000 0.925 292 D HN 0.688 nan 8.370 nan 0.000 0.513 293 T N -1.687 112.881 114.554 0.023 0.000 2.912 293 T HA 0.530 4.749 4.350 -0.219 0.000 0.288 293 T C -2.861 171.877 174.700 0.063 0.000 1.030 293 T CA -2.060 60.055 62.100 0.025 0.000 1.020 293 T CB 2.673 71.549 68.868 0.015 0.000 1.056 293 T HN -0.248 nan 8.240 nan 0.000 0.480 294 P HA 0.292 nan 4.420 nan 0.000 0.271 294 P C 0.402 177.775 177.300 0.123 0.000 1.216 294 P CA 0.043 63.199 63.100 0.094 0.000 0.771 294 P CB 0.474 32.242 31.700 0.113 0.000 0.864 295 G N 1.280 110.150 108.800 0.116 0.000 2.562 295 G HA2 0.180 4.009 3.960 -0.219 0.000 0.275 295 G HA3 0.180 4.009 3.960 -0.219 0.000 0.275 295 G C 1.057 176.019 174.900 0.105 0.000 1.196 295 G CA -0.622 44.555 45.100 0.129 0.000 0.908 295 G HN 0.388 nan 8.290 nan 0.000 0.524 296 V N 0.708 120.678 119.914 0.094 0.000 2.453 296 V HA -0.105 3.884 4.120 -0.219 0.000 0.252 296 V C 2.260 178.357 176.094 0.005 0.000 1.068 296 V CA 1.737 64.065 62.300 0.046 0.000 1.070 296 V CB -0.456 31.349 31.823 -0.031 0.000 0.664 296 V HN 0.531 nan 8.190 nan 0.000 0.461 297 L N 0.166 121.358 121.223 -0.052 0.000 2.592 297 L HA 0.391 4.600 4.340 -0.219 0.000 0.227 297 L C 1.248 178.144 176.870 0.043 0.000 1.127 297 L CA 0.211 55.030 54.840 -0.036 0.000 0.884 297 L CB -0.534 41.422 42.059 -0.172 0.000 1.065 297 L HN 0.386 nan 8.230 nan 0.000 0.457 298 A N -0.899 121.963 122.820 0.070 0.000 2.267 298 A HA 0.037 4.226 4.320 -0.219 0.000 0.271 298 A C 0.872 178.564 177.584 0.180 0.000 1.131 298 A CA -0.168 51.938 52.037 0.115 0.000 0.818 298 A CB -0.013 19.054 19.000 0.111 0.000 1.118 298 A HN 0.209 nan 8.150 nan 0.000 0.501 299 Y N 1.098 121.439 120.300 0.068 0.000 2.096 299 Y HA -0.182 4.238 4.550 -0.216 0.000 0.278 299 Y C -0.404 175.602 175.900 0.177 0.000 1.192 299 Y CA 3.063 61.219 58.100 0.095 0.000 1.143 299 Y CB -0.983 37.513 38.460 0.061 0.000 0.963 299 Y HN 0.494 nan 8.280 nan 0.000 0.505 300 P HA -0.152 nan 4.420 nan 0.000 0.222 300 P C 1.056 178.329 177.300 -0.044 0.000 1.147 300 P CA 1.666 64.752 63.100 -0.022 0.000 0.790 300 P CB -0.112 31.613 31.700 0.041 0.000 0.780 301 S N -0.213 115.518 115.700 0.052 0.000 4.054 301 S HA -0.272 4.066 4.470 -0.219 0.000 0.618 301 S C 1.173 175.790 174.600 0.028 0.000 2.026 301 S CA 1.374 59.630 58.200 0.093 0.000 4.205 301 S CB -1.590 61.693 63.200 0.138 0.000 0.233 301 S HN 0.159 nan 8.310 nan 0.000 0.612 302 L N 1.448 122.639 121.223 -0.054 0.000 2.642 302 L HA -0.001 4.208 4.340 -0.219 0.000 0.236 302 L C 1.811 178.622 176.870 -0.098 0.000 1.169 302 L CA 0.975 55.732 54.840 -0.138 0.000 0.851 302 L CB -0.539 41.348 42.059 -0.287 0.000 0.968 302 L HN 0.355 nan 8.230 nan 0.000 0.453 303 R N 1.466 121.898 120.500 -0.113 0.000 3.701 303 R HA 0.202 4.411 4.340 -0.219 0.000 0.210 303 R C -0.206 176.113 176.300 0.031 0.000 1.598 303 R CA -0.339 55.682 56.100 -0.131 0.000 1.427 303 R CB -0.234 29.881 30.300 -0.308 0.000 1.339 303 R HN 0.234 nan 8.270 nan 0.000 0.720 304 L N 1.469 122.733 121.223 0.068 0.000 2.514 304 L HA -0.052 4.156 4.340 -0.219 0.000 0.280 304 L C 1.494 178.437 176.870 0.123 0.000 1.223 304 L CA 0.094 55.008 54.840 0.122 0.000 0.864 304 L CB 0.988 43.128 42.059 0.135 0.000 1.118 304 L HN 0.475 nan 8.230 nan 0.000 0.494 305 S N 1.079 116.781 115.700 0.003 0.000 2.461 305 S HA 0.008 4.347 4.470 -0.219 0.000 0.228 305 S C -0.424 173.699 174.600 -0.796 0.000 1.005 305 S CA 0.893 58.839 58.200 -0.423 0.000 0.942 305 S CB -0.040 62.865 63.200 -0.492 0.000 0.776 305 S HN 0.414 nan 8.310 nan 0.000 0.514 306 Y N 0.822 121.182 120.300 0.099 0.000 2.361 306 Y HA 0.659 5.073 4.550 -0.227 0.000 0.328 306 Y C -0.432 175.470 175.900 0.003 0.000 1.044 306 Y CA -1.244 56.927 58.100 0.118 0.000 1.085 306 Y CB 1.212 39.819 38.460 0.245 0.000 1.194 306 Y HN -0.005 nan 8.280 nan 0.000 0.438 307 L N 0.412 121.578 121.223 -0.095 0.000 2.869 307 L HA 0.807 5.016 4.340 -0.219 0.000 0.265 307 L C -3.368 173.113 176.870 -0.649 0.000 1.011 307 L CA -2.570 51.881 54.840 -0.648 0.000 0.913 307 L CB 2.342 44.172 42.059 -0.380 0.000 1.490 307 L HN 0.154 nan 8.230 nan 0.000 0.410 308 P HA 0.332 nan 4.420 nan 0.000 0.268 308 P C -1.367 175.826 177.300 -0.178 0.000 1.204 308 P CA 0.122 62.994 63.100 -0.380 0.000 0.768 308 P CB 0.524 31.968 31.700 -0.427 0.000 0.842 309 R N 3.678 124.165 120.500 -0.022 0.000 2.673 309 R HA 0.426 4.635 4.340 -0.219 0.000 0.281 309 R C -2.740 173.572 176.300 0.019 0.000 0.991 309 R CA -2.379 53.712 56.100 -0.015 0.000 0.896 309 R CB 1.516 31.823 30.300 0.012 0.000 1.201 309 R HN 0.241 nan 8.270 nan 0.000 0.457 310 P HA -0.065 nan 4.420 nan 0.000 0.261 310 P C -0.377 176.938 177.300 0.024 0.000 1.183 310 P CA 0.580 63.692 63.100 0.020 0.000 0.761 310 P CB 0.483 32.202 31.700 0.031 0.000 0.785 311 D N 1.692 122.104 120.400 0.020 0.000 2.441 311 D HA 0.174 4.683 4.640 -0.219 0.000 0.210 311 D C 1.355 177.658 176.300 0.004 0.000 1.102 311 D CA 0.200 54.221 54.000 0.036 0.000 0.840 311 D CB -0.104 40.752 40.800 0.095 0.000 0.990 311 D HN 0.453 nan 8.370 nan 0.000 0.505 312 G N -0.691 108.090 108.800 -0.032 0.000 2.217 312 G HA2 -0.338 3.491 3.960 -0.219 0.000 0.246 312 G HA3 -0.338 3.491 3.960 -0.219 0.000 0.246 312 G C 1.186 176.007 174.900 -0.132 0.000 0.990 312 G CA 0.801 45.864 45.100 -0.062 0.000 0.627 312 G HN 0.384 nan 8.290 nan 0.000 0.522 313 T N -0.988 113.450 114.554 -0.194 0.000 3.174 313 T HA 0.370 4.588 4.350 -0.219 0.000 0.252 313 T C 1.769 176.043 174.700 -0.710 0.000 0.984 313 T CA 1.060 62.899 62.100 -0.434 0.000 1.113 313 T CB -0.008 68.547 68.868 -0.521 0.000 1.088 313 T HN 0.154 nan 8.240 nan 0.000 0.442 314 F N 0.962 120.659 119.950 -0.421 0.000 2.317 314 F HA 0.481 4.877 4.527 -0.218 0.000 0.290 314 F C 0.898 176.235 175.800 -0.772 0.000 1.075 314 F CA 0.282 57.729 58.000 -0.921 0.000 1.380 314 F CB 0.349 38.456 39.000 -1.488 0.000 1.093 314 F HN -0.034 nan 8.300 nan 0.000 0.524 315 I N 1.520 121.920 120.570 -0.283 0.000 2.503 315 I HA 0.089 4.128 4.170 -0.219 0.000 0.277 315 I C 1.094 177.159 176.117 -0.087 0.000 1.078 315 I CA -0.174 61.052 61.300 -0.123 0.000 1.184 315 I CB 0.883 38.870 38.000 -0.022 0.000 1.353 315 I HN 0.111 nan 8.210 nan 0.000 0.490 316 T N -0.111 114.382 114.554 -0.101 0.000 3.051 316 T HA -0.055 4.164 4.350 -0.219 0.000 0.269 316 T C 0.380 175.065 174.700 -0.025 0.000 1.127 316 T CA 0.852 62.905 62.100 -0.079 0.000 1.107 316 T CB 0.010 68.823 68.868 -0.092 0.000 0.898 316 T HN 0.579 nan 8.240 nan 0.000 0.517 317 D N -0.518 119.889 120.400 0.011 0.000 2.764 317 D HA 0.182 4.691 4.640 -0.219 0.000 0.293 317 D C -1.817 174.538 176.300 0.092 0.000 1.287 317 D CA -0.693 53.333 54.000 0.044 0.000 0.768 317 D CB 0.826 41.650 40.800 0.039 0.000 1.288 317 D HN -0.033 nan 8.370 nan 0.000 0.426 318 D N 1.479 121.956 120.400 0.128 0.000 2.982 318 D HA -0.133 4.376 4.640 -0.219 0.000 0.222 318 D C 1.256 177.692 176.300 0.228 0.000 1.124 318 D CA 0.715 54.852 54.000 0.227 0.000 0.810 318 D CB 0.465 41.422 40.800 0.262 0.000 1.152 318 D HN 0.471 nan 8.370 nan 0.000 0.538 319 M N 3.522 123.246 119.600 0.208 0.000 2.279 319 M HA -0.224 4.125 4.480 -0.219 0.000 0.264 319 M C 1.181 177.629 176.300 0.247 0.000 1.062 319 M CA 1.088 56.535 55.300 0.246 0.000 1.099 319 M CB -0.183 32.550 32.600 0.221 0.000 1.394 319 M HN 0.509 nan 8.290 nan 0.000 0.426 320 Y N -0.035 120.339 120.300 0.122 0.000 2.263 320 Y HA -0.049 4.370 4.550 -0.219 0.000 0.292 320 Y C 2.603 178.571 175.900 0.113 0.000 1.130 320 Y CA 1.313 59.451 58.100 0.064 0.000 1.179 320 Y CB -0.643 37.780 38.460 -0.062 0.000 0.998 320 Y HN 0.200 nan 8.280 nan 0.000 0.532 321 A N -0.362 122.611 122.820 0.256 0.000 2.014 321 A HA -0.072 4.116 4.320 -0.219 0.000 0.218 321 A C 2.185 179.852 177.584 0.138 0.000 1.163 321 A CA 0.969 53.095 52.037 0.148 0.000 0.652 321 A CB -0.905 18.165 19.000 0.116 0.000 0.808 321 A HN 0.450 nan 8.150 nan 0.000 0.449 322 L N -0.949 120.386 121.223 0.186 0.000 2.046 322 L HA -0.146 4.063 4.340 -0.219 0.000 0.208 322 L C 2.529 179.562 176.870 0.271 0.000 1.077 322 L CA 1.362 56.318 54.840 0.194 0.000 0.747 322 L CB -0.516 41.675 42.059 0.219 0.000 0.896 322 L HN 0.338 nan 8.230 nan 0.000 0.432 323 V N -0.160 119.966 119.914 0.354 0.000 2.548 323 V HA -0.188 3.801 4.120 -0.219 0.000 0.249 323 V C 2.654 178.940 176.094 0.321 0.000 1.055 323 V CA 1.436 64.021 62.300 0.475 0.000 1.065 323 V CB -0.296 31.785 31.823 0.429 0.000 0.681 323 V HN 0.387 nan 8.190 nan 0.000 0.462 324 R N 0.030 120.573 120.500 0.071 0.000 2.092 324 R HA -0.098 4.111 4.340 -0.219 0.000 0.231 324 R C 1.576 177.930 176.300 0.090 0.000 1.119 324 R CA 1.659 57.709 56.100 -0.083 0.000 0.970 324 R CB -0.354 29.778 30.300 -0.280 0.000 0.864 324 R HN 0.533 nan 8.270 nan 0.000 0.440 325 D N -0.680 119.759 120.400 0.066 0.000 2.328 325 D HA 0.070 4.579 4.640 -0.219 0.000 0.226 325 D C 0.917 177.185 176.300 -0.053 0.000 1.066 325 D CA 0.659 54.673 54.000 0.024 0.000 0.861 325 D CB 0.376 41.187 40.800 0.018 0.000 0.912 325 D HN 0.402 nan 8.370 nan 0.000 0.521 326 G N 1.576 110.311 108.800 -0.109 0.000 2.179 326 G HA2 -0.362 3.467 3.960 -0.219 0.000 0.257 326 G HA3 -0.362 3.467 3.960 -0.219 0.000 0.257 326 G C 0.325 174.784 174.900 -0.734 0.000 1.010 326 G CA -0.068 44.669 45.100 -0.605 0.000 0.736 326 G HN 0.345 nan 8.290 nan 0.000 0.513 327 K N 0.346 120.554 120.400 -0.319 0.000 2.502 327 K HA 0.457 4.646 4.320 -0.219 0.000 0.244 327 K C -0.149 176.464 176.600 0.021 0.000 1.249 327 K CA -0.233 55.974 56.287 -0.134 0.000 1.193 327 K CB -0.121 32.369 32.500 -0.016 0.000 1.674 327 K HN 0.654 nan 8.250 nan 0.000 0.302 328 Y N -2.333 118.073 120.300 0.175 0.000 2.625 328 Y HA 0.639 5.059 4.550 -0.217 0.000 0.338 328 Y C -0.507 175.566 175.900 0.289 0.000 1.123 328 Y CA -2.199 56.035 58.100 0.224 0.000 1.046 328 Y CB 0.440 39.087 38.460 0.311 0.000 1.299 328 Y HN 0.044 nan 8.280 nan 0.000 0.464 329 A N 0.566 123.723 122.820 0.562 0.000 2.386 329 A HA 0.384 4.572 4.320 -0.219 0.000 0.248 329 A C -1.084 176.853 177.584 0.588 0.000 1.082 329 A CA -0.358 51.961 52.037 0.470 0.000 0.789 329 A CB -0.366 18.827 19.000 0.322 0.000 1.025 329 A HN 0.798 nan 8.150 nan 0.000 0.490 330 H N 0.300 119.516 119.070 0.244 0.000 2.821 330 H HA 0.440 4.865 4.556 -0.218 0.000 0.262 330 H C -0.064 175.379 175.328 0.191 0.000 1.402 330 H CA 0.100 56.271 56.048 0.204 0.000 1.293 330 H CB 0.249 30.074 29.762 0.105 0.000 1.533 330 H HN 0.564 nan 8.280 nan 0.000 0.528 331 V N 0.972 121.096 119.914 0.350 0.000 2.962 331 V HA 0.712 4.701 4.120 -0.219 0.000 0.313 331 V C -2.750 173.552 176.094 0.347 0.000 1.099 331 V CA -2.742 59.743 62.300 0.307 0.000 0.971 331 V CB 3.124 35.159 31.823 0.353 0.000 1.028 331 V HN 0.290 nan 8.190 nan 0.000 0.430 332 P HA 0.459 nan 4.420 nan 0.000 0.274 332 P C -0.662 176.955 177.300 0.527 0.000 1.237 332 P CA -0.008 63.320 63.100 0.380 0.000 0.793 332 P CB 1.635 33.545 31.700 0.350 0.000 0.977 333 V N -1.377 118.829 119.914 0.487 0.000 3.147 333 V HA 0.630 4.618 4.120 -0.219 0.000 0.306 333 V C -0.826 175.250 176.094 -0.029 0.000 1.209 333 V CA -1.035 61.443 62.300 0.297 0.000 1.023 333 V CB 2.062 33.962 31.823 0.127 0.000 1.059 333 V HN 0.354 nan 8.190 nan 0.000 0.435 334 I N 2.809 123.224 120.570 -0.258 0.000 2.465 334 I HA 0.673 4.711 4.170 -0.219 0.000 0.291 334 I C -1.013 175.044 176.117 -0.100 0.000 1.014 334 I CA -0.652 60.465 61.300 -0.305 0.000 1.093 334 I CB 2.006 39.616 38.000 -0.650 0.000 1.267 334 I HN 0.771 nan 8.210 nan 0.000 0.431 335 I N 5.088 125.643 120.570 -0.024 0.000 2.610 335 I HA 0.738 4.777 4.170 -0.219 0.000 0.289 335 I C -0.858 175.065 176.117 -0.323 0.000 1.163 335 I CA 0.043 61.269 61.300 -0.124 0.000 1.044 335 I CB 1.768 39.648 38.000 -0.199 0.000 1.251 335 I HN 0.666 nan 8.210 nan 0.000 0.424 336 G N 5.182 113.543 108.800 -0.732 0.000 2.766 336 G HA2 0.592 4.420 3.960 -0.219 0.000 0.288 336 G HA3 0.592 4.420 3.960 -0.219 0.000 0.288 336 G C -2.033 172.399 174.900 -0.779 0.000 1.408 336 G CA -0.396 43.757 45.100 -1.577 0.000 0.852 336 G HN 0.526 nan 8.290 nan 0.000 0.487 337 D N -0.864 119.253 120.400 -0.472 0.000 2.579 337 D HA 0.352 4.860 4.640 -0.219 0.000 0.257 337 D C -0.822 175.586 176.300 0.180 0.000 1.176 337 D CA -0.425 53.576 54.000 0.002 0.000 0.914 337 D CB 2.333 43.192 40.800 0.097 0.000 1.431 337 D HN 0.098 nan 8.370 nan 0.000 0.454 338 Q N 0.967 120.879 119.800 0.188 0.000 2.235 338 Q HA 0.216 4.424 4.340 -0.219 0.000 0.250 338 Q C 0.798 176.906 176.000 0.180 0.000 0.909 338 Q CA -0.163 55.749 55.803 0.182 0.000 0.910 338 Q CB 1.400 30.200 28.738 0.103 0.000 1.223 338 Q HN 0.544 nan 8.270 nan 0.000 0.432 339 N N 1.543 120.342 118.700 0.166 0.000 2.091 339 N HA -0.176 4.433 4.740 -0.219 0.000 0.193 339 N C -0.551 175.142 175.510 0.304 0.000 1.021 339 N CA 1.037 54.196 53.050 0.182 0.000 0.862 339 N CB 0.396 38.979 38.487 0.159 0.000 1.018 339 N HN 0.462 nan 8.380 nan 0.000 0.429 340 D N 0.458 121.001 120.400 0.237 0.000 2.795 340 D HA 0.069 4.578 4.640 -0.219 0.000 0.335 340 D C 0.275 176.705 176.300 0.218 0.000 1.262 340 D CA -0.150 53.965 54.000 0.191 0.000 0.885 340 D CB 0.855 41.709 40.800 0.090 0.000 1.047 340 D HN 0.219 nan 8.370 nan 0.000 0.500 341 E N 0.516 120.879 120.200 0.272 0.000 2.160 341 E HA -0.128 4.090 4.350 -0.219 0.000 0.195 341 E C 1.918 178.745 176.600 0.377 0.000 0.991 341 E CA 0.724 57.297 56.400 0.289 0.000 0.810 341 E CB 0.082 29.946 29.700 0.273 0.000 0.742 341 E HN 0.409 nan 8.360 nan 0.000 0.466 342 G N 1.179 110.179 108.800 0.332 0.000 2.920 342 G HA2 -0.126 3.703 3.960 -0.219 0.000 0.208 342 G HA3 -0.126 3.703 3.960 -0.219 0.000 0.208 342 G C 1.629 176.666 174.900 0.229 0.000 1.159 342 G CA 0.956 46.275 45.100 0.365 0.000 0.784 342 G HN 0.339 nan 8.290 nan 0.000 0.535 343 T N 0.067 114.693 114.554 0.120 0.000 2.708 343 T HA -0.124 4.095 4.350 -0.219 0.000 0.266 343 T C 2.246 177.050 174.700 0.173 0.000 1.037 343 T CA 0.964 63.112 62.100 0.081 0.000 1.146 343 T CB -0.304 68.656 68.868 0.154 0.000 0.865 343 T HN 0.008 nan 8.240 nan 0.000 0.435 344 L N 0.587 121.824 121.223 0.024 0.000 2.013 344 L HA 0.061 4.270 4.340 -0.219 0.000 0.212 344 L C 2.339 179.154 176.870 -0.092 0.000 1.073 344 L CA 1.608 56.336 54.840 -0.187 0.000 0.753 344 L CB -1.080 40.764 42.059 -0.359 0.000 0.890 344 L HN 0.271 nan 8.230 nan 0.000 0.432 345 F N -1.138 118.955 119.950 0.239 0.000 2.259 345 F HA 0.010 4.394 4.527 -0.238 0.000 0.298 345 F C 2.407 178.328 175.800 0.200 0.000 1.088 345 F CA 0.934 59.056 58.000 0.203 0.000 1.358 345 F CB -1.391 37.709 39.000 0.166 0.000 1.040 345 F HN 0.108 nan 8.300 nan 0.000 0.505 346 G N 0.157 109.169 108.800 0.353 0.000 2.509 346 G HA2 -0.127 3.702 3.960 -0.219 0.000 0.218 346 G HA3 -0.127 3.702 3.960 -0.219 0.000 0.218 346 G C 1.588 176.780 174.900 0.487 0.000 1.124 346 G CA 0.286 45.581 45.100 0.324 0.000 0.776 346 G HN 0.347 nan 8.290 nan 0.000 0.547 347 L N 0.892 122.383 121.223 0.447 0.000 2.549 347 L HA 0.022 4.231 4.340 -0.219 0.000 0.229 347 L C 2.265 179.257 176.870 0.203 0.000 1.158 347 L CA 0.375 55.379 54.840 0.272 0.000 0.842 347 L CB 0.064 42.256 42.059 0.221 0.000 0.952 347 L HN 0.104 nan 8.230 nan 0.000 0.452 348 S N -1.006 114.825 115.700 0.217 0.000 2.593 348 S HA 0.016 4.355 4.470 -0.219 0.000 0.217 348 S C 1.147 175.839 174.600 0.154 0.000 0.966 348 S CA 0.566 58.872 58.200 0.177 0.000 0.914 348 S CB 0.120 63.431 63.200 0.185 0.000 0.776 348 S HN 0.519 nan 8.310 nan 0.000 0.523 349 S N 0.243 115.995 115.700 0.088 0.000 2.941 349 S HA 0.350 4.688 4.470 -0.219 0.000 0.248 349 S C 0.587 175.191 174.600 0.007 0.000 0.962 349 S CA -0.449 57.742 58.200 -0.016 0.000 1.092 349 S CB -0.665 62.224 63.200 -0.519 0.000 1.113 349 S HN 0.278 nan 8.310 nan 0.000 0.512 350 L N 1.688 122.941 121.223 0.051 0.000 2.633 350 L HA 0.013 4.222 4.340 -0.219 0.000 0.235 350 L C 1.864 178.731 176.870 -0.005 0.000 1.163 350 L CA 0.567 55.421 54.840 0.023 0.000 0.859 350 L CB -0.614 41.438 42.059 -0.012 0.000 0.973 350 L HN 0.549 nan 8.230 nan 0.000 0.451 351 N N -0.807 117.886 118.700 -0.011 0.000 2.280 351 N HA -0.015 4.594 4.740 -0.219 0.000 0.192 351 N C 0.141 175.624 175.510 -0.044 0.000 1.109 351 N CA 0.036 53.064 53.050 -0.037 0.000 0.855 351 N CB 0.116 38.561 38.487 -0.070 0.000 0.974 351 N HN 0.036 nan 8.380 nan 0.000 0.482 352 V N 2.002 121.886 119.914 -0.051 0.000 2.334 352 V HA 0.233 4.221 4.120 -0.219 0.000 0.267 352 V C 1.015 177.084 176.094 -0.042 0.000 1.040 352 V CA 0.043 62.295 62.300 -0.079 0.000 0.866 352 V CB 0.811 32.515 31.823 -0.198 0.000 1.019 352 V HN 0.502 nan 8.190 nan 0.000 0.468 353 T N -0.377 114.161 114.554 -0.027 0.000 2.975 353 T HA 0.134 4.353 4.350 -0.219 0.000 0.261 353 T C 0.696 175.397 174.700 0.003 0.000 0.984 353 T CA 0.475 62.573 62.100 -0.004 0.000 0.911 353 T CB 0.461 69.327 68.868 -0.004 0.000 1.127 353 T HN 0.646 nan 8.240 nan 0.000 0.514 354 T N -0.855 113.694 114.554 -0.008 0.000 2.950 354 T HA 0.460 4.678 4.350 -0.219 0.000 0.288 354 T C 0.241 174.943 174.700 0.002 0.000 1.035 354 T CA -0.619 61.483 62.100 0.003 0.000 1.028 354 T CB 1.779 70.648 68.868 0.001 0.000 1.109 354 T HN -0.206 nan 8.240 nan 0.000 0.514 355 D N 0.886 121.299 120.400 0.022 0.000 2.149 355 D HA -0.078 4.430 4.640 -0.219 0.000 0.198 355 D C 2.288 178.599 176.300 0.019 0.000 0.990 355 D CA 1.719 55.741 54.000 0.036 0.000 0.839 355 D CB -0.604 40.228 40.800 0.054 0.000 0.948 355 D HN 0.752 nan 8.370 nan 0.000 0.460 356 A N 0.784 123.611 122.820 0.013 0.000 1.902 356 A HA -0.217 3.971 4.320 -0.219 0.000 0.217 356 A C 2.135 179.712 177.584 -0.012 0.000 1.181 356 A CA 1.369 53.411 52.037 0.009 0.000 0.623 356 A CB -0.551 18.455 19.000 0.010 0.000 0.818 356 A HN 0.230 nan 8.150 nan 0.000 0.443 357 Q N -0.610 119.175 119.800 -0.026 0.000 2.119 357 Q HA -0.039 4.169 4.340 -0.219 0.000 0.201 357 Q C 2.424 178.363 176.000 -0.101 0.000 0.972 357 Q CA 1.169 56.948 55.803 -0.041 0.000 0.847 357 Q CB -0.381 28.332 28.738 -0.042 0.000 0.903 357 Q HN 0.675 nan 8.270 nan 0.000 0.433 358 A N 1.589 124.313 122.820 -0.160 0.000 1.877 358 A HA -0.237 3.952 4.320 -0.219 0.000 0.216 358 A C 2.074 179.316 177.584 -0.569 0.000 1.186 358 A CA 1.593 53.382 52.037 -0.415 0.000 0.620 358 A CB -0.573 18.270 19.000 -0.261 0.000 0.822 358 A HN 0.237 nan 8.150 nan 0.000 0.443 359 R N -0.413 119.984 120.500 -0.172 0.000 2.083 359 R HA -0.148 4.061 4.340 -0.219 0.000 0.237 359 R C 2.305 178.608 176.300 0.005 0.000 1.137 359 R CA 1.576 57.684 56.100 0.013 0.000 0.951 359 R CB -0.436 29.912 30.300 0.080 0.000 0.851 359 R HN 0.451 nan 8.270 nan 0.000 0.434 360 A N -0.063 122.748 122.820 -0.015 0.000 1.933 360 A HA -0.220 3.968 4.320 -0.219 0.000 0.218 360 A C 1.995 179.596 177.584 0.028 0.000 1.175 360 A CA 1.320 53.368 52.037 0.020 0.000 0.628 360 A CB -0.824 18.193 19.000 0.028 0.000 0.814 360 A HN 0.610 nan 8.150 nan 0.000 0.444 361 Y N -0.285 119.897 120.300 -0.197 0.000 2.200 361 Y HA -0.165 4.252 4.550 -0.220 0.000 0.290 361 Y C 1.836 177.622 175.900 -0.191 0.000 1.137 361 Y CA 1.377 59.332 58.100 -0.242 0.000 1.163 361 Y CB -0.505 37.728 38.460 -0.378 0.000 0.988 361 Y HN 0.287 nan 8.280 nan 0.000 0.518 362 F N 0.386 120.267 119.950 -0.115 0.000 2.186 362 F HA -0.080 4.316 4.527 -0.220 0.000 0.299 362 F C 2.268 178.002 175.800 -0.110 0.000 1.090 362 F CA 1.170 59.074 58.000 -0.160 0.000 1.307 362 F CB -0.972 38.122 39.000 0.156 0.000 1.019 362 F HN -0.022 nan 8.300 nan 0.000 0.489 363 K N 0.163 120.642 120.400 0.133 0.000 2.097 363 K HA -0.214 3.975 4.320 -0.219 0.000 0.205 363 K C 2.132 178.694 176.600 -0.063 0.000 1.050 363 K CA 1.488 57.816 56.287 0.068 0.000 0.938 363 K CB -0.291 32.244 32.500 0.058 0.000 0.718 363 K HN 0.402 nan 8.250 nan 0.000 0.442 364 Q N 0.122 119.843 119.800 -0.131 0.000 2.245 364 Q HA -0.033 4.175 4.340 -0.219 0.000 0.201 364 Q C 1.527 177.314 176.000 -0.355 0.000 0.955 364 Q CA 1.409 57.102 55.803 -0.185 0.000 0.870 364 Q CB 0.174 28.852 28.738 -0.101 0.000 0.945 364 Q HN 0.008 nan 8.270 nan 0.000 0.461 365 S N 0.009 115.364 115.700 -0.574 0.000 2.414 365 S HA 0.064 4.402 4.470 -0.219 0.000 0.227 365 S C -0.278 173.826 174.600 -0.827 0.000 1.022 365 S CA 0.450 58.116 58.200 -0.890 0.000 0.958 365 S CB 0.107 62.460 63.200 -1.413 0.000 0.797 365 S HN 0.381 nan 8.310 nan 0.000 0.493 366 F N 1.576 121.446 119.950 -0.133 0.000 2.366 366 F HA 0.424 4.816 4.527 -0.224 0.000 0.357 366 F C 1.074 176.765 175.800 -0.182 0.000 1.107 366 F CA -1.542 56.398 58.000 -0.100 0.000 1.208 366 F CB -0.314 38.716 39.000 0.050 0.000 1.464 366 F HN 0.042 nan 8.300 nan 0.000 0.501 367 I N -1.910 118.552 120.570 -0.180 0.000 3.010 367 I HA -0.159 3.879 4.170 -0.219 0.000 0.271 367 I C 1.066 176.964 176.117 -0.366 0.000 1.293 367 I CA 1.575 62.695 61.300 -0.300 0.000 1.452 367 I CB -0.172 37.594 38.000 -0.391 0.000 1.082 367 I HN 0.438 nan 8.210 nan 0.000 0.484 368 H N 1.572 120.596 119.070 -0.077 0.000 2.586 368 H HA 0.467 4.890 4.556 -0.221 0.000 0.273 368 H C 0.882 176.062 175.328 -0.245 0.000 0.997 368 H CA 0.290 56.245 56.048 -0.155 0.000 1.177 368 H CB 0.240 29.885 29.762 -0.195 0.000 1.471 368 H HN 0.438 nan 8.280 nan 0.000 0.538 369 A N 2.084 124.800 122.820 -0.174 0.000 2.362 369 A HA 0.363 4.551 4.320 -0.219 0.000 0.276 369 A C 0.858 178.369 177.584 -0.122 0.000 1.153 369 A CA -0.313 51.554 52.037 -0.283 0.000 0.813 369 A CB 0.276 19.086 19.000 -0.316 0.000 1.081 369 A HN 0.332 nan 8.150 nan 0.000 0.507 370 S N 1.979 117.606 115.700 -0.121 0.000 2.624 370 S HA 0.144 4.482 4.470 -0.219 0.000 0.263 370 S C 0.395 174.986 174.600 -0.015 0.000 1.287 370 S CA -0.141 58.025 58.200 -0.056 0.000 0.990 370 S CB 0.602 63.767 63.200 -0.058 0.000 0.950 370 S HN 0.628 nan 8.310 nan 0.000 0.561 371 D N 1.222 121.624 120.400 0.005 0.000 2.149 371 D HA -0.083 4.426 4.640 -0.219 0.000 0.198 371 D C 2.182 178.504 176.300 0.036 0.000 0.990 371 D CA 1.709 55.727 54.000 0.030 0.000 0.839 371 D CB -0.750 40.065 40.800 0.026 0.000 0.948 371 D HN 0.705 nan 8.370 nan 0.000 0.460 372 A N 1.193 124.022 122.820 0.016 0.000 1.902 372 A HA -0.199 3.990 4.320 -0.219 0.000 0.217 372 A C 2.065 179.667 177.584 0.029 0.000 1.181 372 A CA 1.358 53.406 52.037 0.019 0.000 0.623 372 A CB -0.484 18.518 19.000 0.003 0.000 0.818 372 A HN 0.200 nan 8.150 nan 0.000 0.443 373 E N -0.430 119.778 120.200 0.013 0.000 2.150 373 E HA -0.110 4.109 4.350 -0.219 0.000 0.193 373 E C 1.714 178.395 176.600 0.135 0.000 0.985 373 E CA 0.761 57.184 56.400 0.040 0.000 0.814 373 E CB -0.135 29.516 29.700 -0.081 0.000 0.752 373 E HN 0.524 nan 8.360 nan 0.000 0.466 374 I N 1.715 122.359 120.570 0.123 0.000 2.353 374 I HA -0.180 3.859 4.170 -0.219 0.000 0.248 374 I C 1.658 177.863 176.117 0.147 0.000 1.119 374 I CA 1.115 62.523 61.300 0.180 0.000 1.417 374 I CB -0.847 37.264 38.000 0.186 0.000 1.078 374 I HN 0.054 nan 8.210 nan 0.000 0.421 375 D N 0.843 121.305 120.400 0.105 0.000 2.084 375 D HA -0.145 4.364 4.640 -0.219 0.000 0.194 375 D C 2.131 178.478 176.300 0.077 0.000 0.990 375 D CA 1.797 55.850 54.000 0.088 0.000 0.826 375 D CB -0.363 40.474 40.800 0.062 0.000 0.971 375 D HN 0.222 nan 8.370 nan 0.000 0.453 376 T N 1.609 116.201 114.554 0.062 0.000 2.699 376 T HA -0.178 4.041 4.350 -0.219 0.000 0.268 376 T C 1.968 176.686 174.700 0.031 0.000 1.036 376 T CA 0.750 62.875 62.100 0.040 0.000 1.147 376 T CB -0.418 68.471 68.868 0.035 0.000 0.862 376 T HN 0.026 nan 8.240 nan 0.000 0.446 377 L N 0.842 122.093 121.223 0.046 0.000 2.046 377 L HA 0.061 4.270 4.340 -0.219 0.000 0.208 377 L C 2.199 179.116 176.870 0.078 0.000 1.077 377 L CA 1.772 56.614 54.840 0.003 0.000 0.747 377 L CB -0.570 41.448 42.059 -0.068 0.000 0.896 377 L HN 0.266 nan 8.230 nan 0.000 0.432 378 M N -1.402 118.271 119.600 0.121 0.000 2.619 378 M HA 0.001 4.349 4.480 -0.219 0.000 0.251 378 M C 1.874 178.253 176.300 0.132 0.000 1.106 378 M CA 0.940 56.348 55.300 0.180 0.000 1.086 378 M CB -0.357 32.374 32.600 0.219 0.000 1.465 378 M HN 0.431 nan 8.290 nan 0.000 0.506 379 A N -0.023 122.844 122.820 0.078 0.000 2.044 379 A HA 0.351 4.539 4.320 -0.219 0.000 0.213 379 A C 2.279 179.863 177.584 0.001 0.000 1.169 379 A CA 1.003 53.067 52.037 0.045 0.000 0.724 379 A CB -0.273 18.746 19.000 0.032 0.000 0.840 379 A HN 0.405 nan 8.150 nan 0.000 0.463 380 A N -1.319 121.475 122.820 -0.044 0.000 1.930 380 A HA 0.209 4.398 4.320 -0.219 0.000 0.215 380 A C 0.509 177.904 177.584 -0.315 0.000 1.176 380 A CA 0.600 52.515 52.037 -0.204 0.000 0.632 380 A CB -0.310 18.512 19.000 -0.297 0.000 0.819 380 A HN 0.452 nan 8.150 nan 0.000 0.445 381 Y N 1.412 121.712 120.300 -0.000 0.000 2.721 381 Y HA 0.357 4.776 4.550 -0.218 0.000 0.328 381 Y C 1.028 176.975 175.900 0.078 0.000 1.003 381 Y CA -0.397 57.725 58.100 0.036 0.000 1.275 381 Y CB 0.647 39.099 38.460 -0.013 0.000 1.097 381 Y HN 0.253 nan 8.280 nan 0.000 0.514 382 T N -2.484 112.176 114.554 0.176 0.000 2.732 382 T HA 0.098 4.316 4.350 -0.219 0.000 0.287 382 T C 1.309 176.109 174.700 0.167 0.000 0.993 382 T CA -0.083 62.107 62.100 0.151 0.000 0.966 382 T CB 1.164 70.092 68.868 0.101 0.000 1.047 382 T HN 0.499 nan 8.240 nan 0.000 0.527 383 S N -1.400 114.380 115.700 0.134 0.000 2.575 383 S HA 0.072 4.411 4.470 -0.219 0.000 0.215 383 S C 0.487 175.148 174.600 0.102 0.000 0.966 383 S CA -0.249 58.024 58.200 0.121 0.000 0.911 383 S CB -0.479 62.781 63.200 0.100 0.000 0.780 383 S HN 0.795 nan 8.310 nan 0.000 0.514 384 D N 3.021 123.480 120.400 0.099 0.000 2.368 384 D HA 0.011 4.520 4.640 -0.219 0.000 0.268 384 D C 1.484 177.842 176.300 0.097 0.000 1.298 384 D CA -0.253 53.799 54.000 0.086 0.000 0.938 384 D CB 0.185 41.034 40.800 0.082 0.000 1.101 384 D HN 0.534 nan 8.370 nan 0.000 0.509 385 I N 1.632 122.253 120.570 0.086 0.000 2.423 385 I HA -0.249 3.790 4.170 -0.219 0.000 0.254 385 I C 1.710 177.887 176.117 0.100 0.000 1.151 385 I CA 1.534 62.888 61.300 0.090 0.000 1.421 385 I CB -0.862 37.182 38.000 0.074 0.000 1.079 385 I HN 0.338 nan 8.210 nan 0.000 0.431 386 T N -1.643 112.970 114.554 0.099 0.000 3.035 386 T HA -0.066 4.152 4.350 -0.219 0.000 0.268 386 T C 1.670 176.456 174.700 0.144 0.000 1.109 386 T CA 0.945 63.115 62.100 0.116 0.000 1.119 386 T CB -0.306 68.622 68.868 0.101 0.000 0.900 386 T HN 0.609 nan 8.240 nan 0.000 0.503 387 Q N 0.548 120.437 119.800 0.149 0.000 2.356 387 Q HA 0.321 4.530 4.340 -0.219 0.000 0.205 387 Q C 1.285 177.452 176.000 0.277 0.000 0.901 387 Q CA -0.048 55.874 55.803 0.197 0.000 0.938 387 Q CB 0.471 29.303 28.738 0.156 0.000 1.081 387 Q HN 0.675 nan 8.270 nan 0.000 0.517 388 G N 0.353 109.260 108.800 0.178 0.000 2.532 388 G HA2 0.289 4.117 3.960 -0.219 0.000 0.291 388 G HA3 0.289 4.117 3.960 -0.219 0.000 0.291 388 G C -0.904 173.839 174.900 -0.262 0.000 1.349 388 G CA -0.419 44.721 45.100 0.065 0.000 1.038 388 G HN 0.053 nan 8.290 nan 0.000 0.518 389 S N -0.232 115.088 115.700 -0.634 0.000 2.489 389 S HA 0.562 4.900 4.470 -0.219 0.000 0.291 389 S C -2.599 171.762 174.600 -0.399 0.000 1.151 389 S CA -1.392 56.242 58.200 -0.943 0.000 1.082 389 S CB 1.395 63.880 63.200 -1.192 0.000 1.019 389 S HN 0.196 nan 8.310 nan 0.000 0.492 390 P HA 0.041 nan 4.420 nan 0.000 0.258 390 P C -0.785 176.453 177.300 -0.103 0.000 1.187 390 P CA 0.243 63.271 63.100 -0.121 0.000 0.767 390 P CB -0.229 31.500 31.700 0.050 0.000 0.770 391 F N 2.721 122.708 119.950 0.062 0.000 2.563 391 F HA -0.014 4.379 4.527 -0.224 0.000 0.363 391 F C 1.539 177.367 175.800 0.047 0.000 1.123 391 F CA 0.721 58.748 58.000 0.044 0.000 1.307 391 F CB -0.240 38.757 39.000 -0.005 0.000 1.115 391 F HN 0.461 nan 8.300 nan 0.000 0.592 392 D N 0.440 121.001 120.400 0.268 0.000 2.723 392 D HA -0.173 4.335 4.640 -0.219 0.000 0.236 392 D C 0.720 177.102 176.300 0.138 0.000 1.138 392 D CA 1.195 55.296 54.000 0.169 0.000 0.676 392 D CB -1.394 39.484 40.800 0.130 0.000 1.069 392 D HN 0.766 nan 8.370 nan 0.000 0.430 393 T N -3.745 110.904 114.554 0.157 0.000 3.200 393 T HA 0.476 4.695 4.350 -0.219 0.000 0.284 393 T C 1.330 176.199 174.700 0.282 0.000 1.009 393 T CA 0.638 62.841 62.100 0.171 0.000 0.907 393 T CB 1.183 70.148 68.868 0.162 0.000 1.120 393 T HN 0.585 nan 8.240 nan 0.000 0.534 394 G N 3.507 112.440 108.800 0.221 0.000 2.660 394 G HA2 -0.396 3.433 3.960 -0.219 0.000 0.321 394 G HA3 -0.396 3.433 3.960 -0.219 0.000 0.321 394 G C 0.725 175.728 174.900 0.173 0.000 1.246 394 G CA 0.919 46.145 45.100 0.210 0.000 1.000 394 G HN 1.091 nan 8.290 nan 0.000 0.550 395 I N -0.731 119.898 120.570 0.097 0.000 3.564 395 I HA 0.506 4.545 4.170 -0.219 0.000 0.294 395 I C 0.874 176.884 176.117 -0.177 0.000 1.289 395 I CA -0.193 61.055 61.300 -0.088 0.000 1.325 395 I CB -0.561 37.304 38.000 -0.225 0.000 1.039 395 I HN 0.175 nan 8.210 nan 0.000 0.474 396 F N 2.229 122.212 119.950 0.055 0.000 2.378 396 F HA 0.396 4.792 4.527 -0.220 0.000 0.319 396 F C 1.401 177.245 175.800 0.074 0.000 1.155 396 F CA -0.465 57.569 58.000 0.055 0.000 1.157 396 F CB 0.054 39.084 39.000 0.049 0.000 1.252 396 F HN 0.079 nan 8.300 nan 0.000 0.550 397 N N -1.101 117.758 118.700 0.264 0.000 2.828 397 N HA -0.202 4.407 4.740 -0.219 0.000 0.248 397 N C -0.237 175.406 175.510 0.222 0.000 1.044 397 N CA 0.789 53.968 53.050 0.214 0.000 0.851 397 N CB -1.394 37.239 38.487 0.242 0.000 1.136 397 N HN 0.601 nan 8.380 nan 0.000 0.572 398 A N 1.196 124.107 122.820 0.152 0.000 3.056 398 A HA 0.388 4.576 4.320 -0.219 0.000 0.274 398 A C 1.745 179.375 177.584 0.076 0.000 1.661 398 A CA -0.455 51.675 52.037 0.155 0.000 1.363 398 A CB -1.011 18.045 19.000 0.093 0.000 1.139 398 A HN 0.456 nan 8.150 nan 0.000 0.598 399 I N -0.477 120.097 120.570 0.007 0.000 2.657 399 I HA -0.050 3.989 4.170 -0.219 0.000 0.261 399 I C 0.859 176.943 176.117 -0.055 0.000 1.212 399 I CA 1.332 62.564 61.300 -0.114 0.000 1.453 399 I CB -0.767 37.025 38.000 -0.347 0.000 1.092 399 I HN 0.469 nan 8.210 nan 0.000 0.452 400 T N -3.705 110.869 114.554 0.034 0.000 2.843 400 T HA 0.457 4.676 4.350 -0.219 0.000 0.302 400 T C -2.557 172.201 174.700 0.098 0.000 1.232 400 T CA -1.329 60.803 62.100 0.053 0.000 1.009 400 T CB 1.873 70.778 68.868 0.061 0.000 1.254 400 T HN -0.296 nan 8.240 nan 0.000 0.504 401 P HA 0.064 nan 4.420 nan 0.000 0.230 401 P C 0.923 178.280 177.300 0.096 0.000 1.158 401 P CA 0.740 63.883 63.100 0.072 0.000 0.769 401 P CB 0.166 31.894 31.700 0.047 0.000 0.807 402 Q N -3.336 116.532 119.800 0.113 0.000 2.211 402 Q HA 0.159 4.368 4.340 -0.219 0.000 0.242 402 Q C 1.452 177.549 176.000 0.161 0.000 0.825 402 Q CA -0.124 55.751 55.803 0.120 0.000 0.951 402 Q CB -0.542 28.237 28.738 0.069 0.000 1.130 402 Q HN 0.252 nan 8.270 nan 0.000 0.496 403 F N 3.054 123.027 119.950 0.039 0.000 2.091 403 F HA -0.209 4.186 4.527 -0.220 0.000 0.299 403 F C 1.822 177.654 175.800 0.052 0.000 1.103 403 F CA 1.784 59.809 58.000 0.042 0.000 1.228 403 F CB 0.167 39.183 39.000 0.027 0.000 0.984 403 F HN -0.102 nan 8.300 nan 0.000 0.477 404 K N -0.245 120.103 120.400 -0.086 0.000 2.148 404 K HA -0.173 4.016 4.320 -0.219 0.000 0.204 404 K C 2.349 178.861 176.600 -0.147 0.000 1.050 404 K CA 1.260 57.409 56.287 -0.230 0.000 0.942 404 K CB -0.248 32.239 32.500 -0.021 0.000 0.724 404 K HN 0.299 nan 8.250 nan 0.000 0.446 405 R N 1.284 121.787 120.500 0.005 0.000 2.057 405 R HA -0.036 4.172 4.340 -0.219 0.000 0.229 405 R C 2.177 178.519 176.300 0.071 0.000 1.136 405 R CA 1.094 57.259 56.100 0.108 0.000 0.952 405 R CB -0.144 30.271 30.300 0.191 0.000 0.848 405 R HN 0.089 nan 8.270 nan 0.000 0.430 406 I N 0.588 121.223 120.570 0.107 0.000 2.226 406 I HA -0.236 3.803 4.170 -0.219 0.000 0.245 406 I C 2.323 178.442 176.117 0.004 0.000 1.100 406 I CA 1.141 62.550 61.300 0.183 0.000 1.374 406 I CB -0.213 37.933 38.000 0.243 0.000 1.057 406 I HN 0.185 nan 8.210 nan 0.000 0.413 407 S N 0.746 116.345 115.700 -0.168 0.000 2.359 407 S HA -0.205 4.134 4.470 -0.219 0.000 0.224 407 S C 2.276 176.804 174.600 -0.120 0.000 1.035 407 S CA 1.482 59.552 58.200 -0.217 0.000 1.018 407 S CB -0.391 62.458 63.200 -0.586 0.000 0.876 407 S HN 0.550 nan 8.310 nan 0.000 0.448 408 A N 1.243 123.975 122.820 -0.146 0.000 1.908 408 A HA -0.068 4.121 4.320 -0.219 0.000 0.218 408 A C 2.162 179.744 177.584 -0.004 0.000 1.181 408 A CA 1.487 53.557 52.037 0.055 0.000 0.627 408 A CB -0.779 18.382 19.000 0.269 0.000 0.818 408 A HN 0.481 nan 8.150 nan 0.000 0.445 409 L N -1.194 119.770 121.223 -0.431 0.000 1.994 409 L HA -0.148 4.061 4.340 -0.219 0.000 0.208 409 L C 2.341 178.991 176.870 -0.366 0.000 1.071 409 L CA 1.367 55.675 54.840 -0.887 0.000 0.745 409 L CB -0.243 41.195 42.059 -1.035 0.000 0.892 409 L HN 0.305 nan 8.230 nan 0.000 0.431 410 L N 0.194 121.324 121.223 -0.155 0.000 2.083 410 L HA -0.095 4.114 4.340 -0.219 0.000 0.209 410 L C 2.564 179.436 176.870 0.004 0.000 1.083 410 L CA 1.980 56.785 54.840 -0.058 0.000 0.752 410 L CB -1.639 40.436 42.059 0.028 0.000 0.899 410 L HN 0.353 nan 8.230 nan 0.000 0.433 411 G N -1.475 107.406 108.800 0.134 0.000 2.422 411 G HA2 -0.227 3.601 3.960 -0.219 0.000 0.218 411 G HA3 -0.227 3.601 3.960 -0.219 0.000 0.218 411 G C 1.282 176.375 174.900 0.321 0.000 1.140 411 G CA 0.677 45.974 45.100 0.329 0.000 0.775 411 G HN 0.317 nan 8.290 nan 0.000 0.545 412 D N -0.100 120.439 120.400 0.230 0.000 2.137 412 D HA -0.041 4.468 4.640 -0.219 0.000 0.202 412 D C 2.364 178.775 176.300 0.185 0.000 0.970 412 D CA 0.348 54.510 54.000 0.270 0.000 0.837 412 D CB -0.199 40.803 40.800 0.336 0.000 0.981 412 D HN 0.243 nan 8.370 nan 0.000 0.475 413 L N 0.621 121.846 121.223 0.003 0.000 2.072 413 L HA 0.058 4.267 4.340 -0.219 0.000 0.205 413 L C 1.922 178.771 176.870 -0.036 0.000 1.079 413 L CA 1.623 56.442 54.840 -0.036 0.000 0.752 413 L CB -0.577 41.342 42.059 -0.234 0.000 0.906 413 L HN -0.045 nan 8.230 nan 0.000 0.436 414 A N -2.256 120.408 122.820 -0.260 0.000 2.021 414 A HA 0.111 4.299 4.320 -0.219 0.000 0.216 414 A C 1.423 178.439 177.584 -0.946 0.000 1.163 414 A CA 1.413 53.019 52.037 -0.718 0.000 0.676 414 A CB -0.327 17.967 19.000 -1.176 0.000 0.818 414 A HN 0.470 nan 8.150 nan 0.000 0.453 415 F N -2.164 117.831 119.950 0.074 0.000 1.941 415 F HA 0.126 4.482 4.527 -0.286 0.000 0.230 415 F C 2.400 178.274 175.800 0.123 0.000 1.181 415 F CA 0.836 58.889 58.000 0.088 0.000 1.294 415 F CB -0.703 38.371 39.000 0.124 0.000 1.748 415 F HN -0.076 nan 8.300 nan 0.000 0.419 416 T N 2.205 117.008 114.554 0.414 0.000 2.652 416 T HA -0.130 4.089 4.350 -0.219 0.000 0.267 416 T C 2.048 176.956 174.700 0.347 0.000 1.039 416 T CA 1.735 64.048 62.100 0.355 0.000 1.153 416 T CB -0.543 68.565 68.868 0.400 0.000 0.863 416 T HN 0.082 nan 8.240 nan 0.000 0.428 417 L N 0.351 121.818 121.223 0.407 0.000 2.270 417 L HA 0.185 4.394 4.340 -0.219 0.000 0.210 417 L C 3.013 180.163 176.870 0.465 0.000 1.104 417 L CA 0.537 55.685 54.840 0.514 0.000 0.804 417 L CB -0.632 41.809 42.059 0.636 0.000 0.937 417 L HN 0.243 nan 8.230 nan 0.000 0.450 418 A N 0.627 123.641 122.820 0.323 0.000 1.933 418 A HA -0.245 3.943 4.320 -0.219 0.000 0.218 418 A C 2.438 180.009 177.584 -0.022 0.000 1.175 418 A CA 1.666 53.705 52.037 0.004 0.000 0.628 418 A CB -0.563 18.446 19.000 0.016 0.000 0.814 418 A HN 0.355 nan 8.150 nan 0.000 0.444 419 R N -0.322 120.212 120.500 0.058 0.000 2.091 419 R HA -0.178 4.031 4.340 -0.219 0.000 0.238 419 R C 2.381 178.741 176.300 0.100 0.000 1.136 419 R CA 1.808 57.927 56.100 0.033 0.000 0.959 419 R CB -0.335 29.974 30.300 0.015 0.000 0.856 419 R HN 0.550 nan 8.270 nan 0.000 0.437 420 R N -0.743 119.850 120.500 0.156 0.000 2.096 420 R HA -0.202 4.007 4.340 -0.219 0.000 0.235 420 R C 2.070 178.531 176.300 0.269 0.000 1.127 420 R CA 1.676 57.868 56.100 0.154 0.000 0.968 420 R CB -0.421 29.963 30.300 0.139 0.000 0.861 420 R HN 0.332 nan 8.270 nan 0.000 0.440 421 Y N 0.100 120.535 120.300 0.225 0.000 2.242 421 Y HA -0.232 4.186 4.550 -0.219 0.000 0.291 421 Y C 1.808 177.789 175.900 0.134 0.000 1.137 421 Y CA 1.807 60.015 58.100 0.179 0.000 1.181 421 Y CB -0.365 37.925 38.460 -0.284 0.000 0.989 421 Y HN 0.135 nan 8.280 nan 0.000 0.527 422 F N 0.002 119.999 119.950 0.079 0.000 2.084 422 F HA -0.212 4.202 4.527 -0.189 0.000 0.296 422 F C 1.851 177.670 175.800 0.032 0.000 1.111 422 F CA 1.733 59.728 58.000 -0.008 0.000 1.224 422 F CB -0.685 38.198 39.000 -0.195 0.000 0.991 422 F HN -0.017 nan 8.300 nan 0.000 0.471 423 L N 0.334 121.536 121.223 -0.036 0.000 2.131 423 L HA -0.251 3.958 4.340 -0.219 0.000 0.210 423 L C 2.062 178.889 176.870 -0.072 0.000 1.092 423 L CA 1.801 56.541 54.840 -0.168 0.000 0.759 423 L CB -0.879 40.954 42.059 -0.377 0.000 0.903 423 L HN 0.281 nan 8.230 nan 0.000 0.435 424 N N -1.553 117.125 118.700 -0.038 0.000 2.270 424 N HA -0.155 4.454 4.740 -0.219 0.000 0.181 424 N C 1.502 176.835 175.510 -0.296 0.000 1.016 424 N CA 0.872 53.838 53.050 -0.139 0.000 0.870 424 N CB 0.094 38.468 38.487 -0.188 0.000 0.979 424 N HN 0.273 nan 8.380 nan 0.000 0.431 425 Y N -1.025 119.161 120.300 -0.190 0.000 2.524 425 Y HA 0.099 4.517 4.550 -0.220 0.000 0.270 425 Y C 0.100 175.925 175.900 -0.126 0.000 1.094 425 Y CA -0.329 57.689 58.100 -0.137 0.000 1.276 425 Y CB 0.033 38.431 38.460 -0.104 0.000 1.130 425 Y HN 0.021 nan 8.280 nan 0.000 0.536 426 Y N 2.654 122.732 120.300 -0.370 0.000 2.569 426 Y HA 0.041 4.467 4.550 -0.206 0.000 0.332 426 Y C 0.466 176.136 175.900 -0.384 0.000 1.120 426 Y CA -0.183 57.516 58.100 -0.668 0.000 1.416 426 Y CB 0.438 38.062 38.460 -1.393 0.000 1.210 426 Y HN 0.121 nan 8.280 nan 0.000 0.528 427 Q N 4.502 123.871 119.800 -0.719 0.000 2.115 427 Q HA 0.224 4.433 4.340 -0.219 0.000 0.249 427 Q C 1.422 176.997 176.000 -0.708 0.000 0.830 427 Q CA 0.491 55.998 55.803 -0.494 0.000 1.104 427 Q CB 1.026 29.672 28.738 -0.154 0.000 1.207 427 Q HN 1.051 nan 8.270 nan 0.000 0.464 428 G N -0.000 107.859 108.800 -1.568 0.000 2.464 428 G HA2 0.251 4.080 3.960 -0.219 0.000 0.217 428 G HA3 0.251 4.080 3.960 -0.219 0.000 0.217 428 G C 0.626 175.261 174.900 -0.441 0.000 1.138 428 G CA 0.734 45.143 45.100 -1.152 0.000 0.793 428 G HN 0.431 nan 8.290 nan 0.000 0.539 429 G N -1.805 106.816 108.800 -0.299 0.000 2.430 429 G HA2 0.413 4.242 3.960 -0.219 0.000 0.300 429 G HA3 0.413 4.242 3.960 -0.219 0.000 0.300 429 G C -0.986 173.948 174.900 0.056 0.000 1.330 429 G CA -0.368 44.740 45.100 0.015 0.000 0.813 429 G HN 0.079 nan 8.290 nan 0.000 0.487 430 T N 1.357 115.960 114.554 0.082 0.000 2.928 430 T HA 0.354 4.572 4.350 -0.219 0.000 0.305 430 T C 0.113 174.815 174.700 0.004 0.000 1.035 430 T CA 0.487 62.587 62.100 0.000 0.000 1.145 430 T CB 0.328 69.203 68.868 0.011 0.000 0.963 430 T HN 0.430 nan 8.240 nan 0.000 0.545 431 K N 2.118 122.431 120.400 -0.145 0.000 2.270 431 K HA 0.532 4.721 4.320 -0.219 0.000 0.255 431 K C -1.385 175.003 176.600 -0.354 0.000 0.936 431 K CA -0.684 55.545 56.287 -0.097 0.000 0.809 431 K CB 1.608 34.135 32.500 0.044 0.000 1.131 431 K HN 0.512 nan 8.250 nan 0.000 0.427 432 Y N -0.038 120.205 120.300 -0.093 0.000 2.406 432 Y HA 0.378 4.795 4.550 -0.222 0.000 0.340 432 Y C -0.049 175.901 175.900 0.084 0.000 0.975 432 Y CA -0.650 57.346 58.100 -0.173 0.000 1.056 432 Y CB 2.572 40.518 38.460 -0.857 0.000 1.210 432 Y HN 0.492 nan 8.280 nan 0.000 0.448 433 S N 3.779 119.841 115.700 0.604 0.000 2.548 433 S HA 0.846 5.184 4.470 -0.219 0.000 0.286 433 S C -1.473 173.516 174.600 0.648 0.000 1.098 433 S CA -0.564 57.900 58.200 0.439 0.000 0.930 433 S CB 0.600 63.823 63.200 0.039 0.000 1.070 433 S HN 0.487 nan 8.310 nan 0.000 0.480 434 F N 2.414 122.591 119.950 0.378 0.000 2.588 434 F HA 0.893 5.281 4.527 -0.231 0.000 0.314 434 F C -1.641 174.226 175.800 0.110 0.000 1.069 434 F CA -1.340 56.737 58.000 0.129 0.000 0.931 434 F CB 1.224 40.254 39.000 0.051 0.000 1.260 434 F HN 0.435 nan 8.300 nan 0.000 0.465 435 L N 2.670 124.027 121.223 0.224 0.000 2.406 435 L HA 0.584 4.792 4.340 -0.219 0.000 0.270 435 L C -0.751 176.221 176.870 0.169 0.000 0.982 435 L CA -0.192 54.748 54.840 0.166 0.000 0.843 435 L CB 1.547 43.664 42.059 0.097 0.000 1.225 435 L HN 0.891 nan 8.230 nan 0.000 0.412 436 S N 3.924 119.782 115.700 0.263 0.000 2.562 436 S HA 0.530 4.869 4.470 -0.219 0.000 0.275 436 S C 0.304 174.978 174.600 0.124 0.000 1.281 436 S CA -0.339 57.967 58.200 0.176 0.000 1.045 436 S CB 0.556 63.913 63.200 0.261 0.000 0.962 436 S HN 0.733 nan 8.310 nan 0.000 0.503 437 K N 3.278 123.735 120.400 0.096 0.000 2.734 437 K HA 0.138 4.327 4.320 -0.219 0.000 0.200 437 K C 1.173 177.810 176.600 0.061 0.000 1.120 437 K CA -0.191 56.156 56.287 0.100 0.000 1.067 437 K CB 0.381 32.965 32.500 0.140 0.000 0.771 437 K HN 0.672 nan 8.250 nan 0.000 0.481 438 Q N 0.599 120.411 119.800 0.021 0.000 2.234 438 Q HA -0.096 4.113 4.340 -0.219 0.000 0.206 438 Q C 0.556 176.526 176.000 -0.051 0.000 0.980 438 Q CA 1.205 56.968 55.803 -0.067 0.000 0.869 438 Q CB 0.273 28.910 28.738 -0.167 0.000 0.912 438 Q HN 0.150 nan 8.270 nan 0.000 0.436 439 L N 0.802 122.038 121.223 0.022 0.000 2.928 439 L HA 0.255 4.464 4.340 -0.219 0.000 0.246 439 L C -0.121 176.794 176.870 0.075 0.000 1.239 439 L CA 0.215 55.096 54.840 0.068 0.000 1.035 439 L CB 0.446 42.586 42.059 0.135 0.000 1.360 439 L HN -0.115 nan 8.230 nan 0.000 0.529 440 S N 0.377 116.106 115.700 0.049 0.000 2.546 440 S HA 0.377 4.716 4.470 -0.219 0.000 0.290 440 S C 1.369 175.985 174.600 0.026 0.000 1.290 440 S CA 0.827 59.055 58.200 0.047 0.000 1.069 440 S CB 0.485 63.705 63.200 0.034 0.000 0.846 440 S HN 0.718 nan 8.310 nan 0.000 0.495 441 G N 1.864 110.679 108.800 0.025 0.000 2.238 441 G HA2 -0.216 3.612 3.960 -0.219 0.000 0.217 441 G HA3 -0.216 3.612 3.960 -0.219 0.000 0.217 441 G C -0.034 174.878 174.900 0.019 0.000 0.996 441 G CA -0.183 44.913 45.100 -0.008 0.000 0.632 441 G HN 0.683 nan 8.290 nan 0.000 0.503 442 L N 4.514 125.776 121.223 0.066 0.000 2.562 442 L HA 0.439 4.648 4.340 -0.219 0.000 0.271 442 L C -1.226 175.694 176.870 0.084 0.000 1.167 442 L CA -1.694 53.201 54.840 0.092 0.000 0.917 442 L CB -0.104 42.053 42.059 0.164 0.000 1.187 442 L HN 0.133 nan 8.230 nan 0.000 0.482 443 P HA 0.030 nan 4.420 nan 0.000 0.266 443 P C 0.946 178.284 177.300 0.064 0.000 1.195 443 P CA 0.030 63.168 63.100 0.063 0.000 0.768 443 P CB 1.203 32.930 31.700 0.046 0.000 0.838 444 V N 1.485 121.455 119.914 0.092 0.000 0.481 444 V HA -0.369 3.619 4.120 -0.219 0.000 0.092 444 V C 2.080 178.295 176.094 0.203 0.000 2.400 444 V CA 2.416 64.778 62.300 0.105 0.000 3.646 444 V CB -1.970 29.834 31.823 -0.032 0.000 0.927 444 V HN 0.523 nan 8.190 nan 0.000 0.973 445 L N -0.452 120.848 121.223 0.128 0.000 2.316 445 L HA 0.559 4.768 4.340 -0.219 0.000 0.207 445 L C 1.656 178.661 176.870 0.224 0.000 1.070 445 L CA 1.059 55.998 54.840 0.164 0.000 0.820 445 L CB -0.272 41.802 42.059 0.024 0.000 0.992 445 L HN 0.944 nan 8.230 nan 0.000 0.466 446 G N 0.551 109.479 108.800 0.213 0.000 2.539 446 G HA2 -0.292 3.537 3.960 -0.219 0.000 0.256 446 G HA3 -0.292 3.537 3.960 -0.219 0.000 0.256 446 G C 0.075 175.126 174.900 0.253 0.000 1.233 446 G CA -0.036 45.179 45.100 0.192 0.000 0.936 446 G HN 0.115 nan 8.290 nan 0.000 0.571 447 T N 2.536 117.193 114.554 0.172 0.000 3.455 447 T HA 0.485 4.704 4.350 -0.219 0.000 0.286 447 T C 0.460 175.214 174.700 0.090 0.000 1.157 447 T CA 0.684 62.842 62.100 0.096 0.000 1.090 447 T CB -0.948 67.974 68.868 0.089 0.000 1.112 447 T HN 0.784 nan 8.240 nan 0.000 0.779 448 F N 0.488 120.502 119.950 0.106 0.000 2.403 448 F HA 0.469 4.861 4.527 -0.225 0.000 0.320 448 F C 0.736 176.594 175.800 0.096 0.000 1.176 448 F CA -1.532 56.522 58.000 0.091 0.000 1.206 448 F CB 0.165 39.186 39.000 0.035 0.000 1.235 448 F HN 0.351 nan 8.300 nan 0.000 0.565 449 H N 0.650 119.850 119.070 0.216 0.000 3.070 449 H HA 0.344 4.748 4.556 -0.253 0.000 0.313 449 H C 1.042 176.411 175.328 0.069 0.000 0.997 449 H CA 0.827 56.914 56.048 0.065 0.000 1.438 449 H CB 0.347 30.180 29.762 0.117 0.000 1.455 449 H HN 0.991 nan 8.280 nan 0.000 0.575 450 G N 3.717 112.246 108.800 -0.452 0.000 2.199 450 G HA2 -0.432 3.396 3.960 -0.219 0.000 0.254 450 G HA3 -0.432 3.396 3.960 -0.219 0.000 0.254 450 G C 1.373 176.087 174.900 -0.310 0.000 0.982 450 G CA 0.859 45.733 45.100 -0.376 0.000 0.632 450 G HN 0.843 nan 8.290 nan 0.000 0.529 451 N N 1.687 120.039 118.700 -0.580 0.000 2.289 451 N HA -0.068 4.541 4.740 -0.219 0.000 0.184 451 N C 1.651 176.934 175.510 -0.378 0.000 1.016 451 N CA 1.934 54.581 53.050 -0.672 0.000 0.872 451 N CB -0.407 37.389 38.487 -1.151 0.000 0.973 451 N HN 0.494 nan 8.380 nan 0.000 0.433 452 D N 0.970 121.159 120.400 -0.351 0.000 2.221 452 D HA -0.180 4.328 4.640 -0.219 0.000 0.204 452 D C 1.770 177.754 176.300 -0.527 0.000 0.982 452 D CA 0.641 54.302 54.000 -0.564 0.000 0.857 452 D CB -0.282 39.900 40.800 -1.031 0.000 0.934 452 D HN 0.315 nan 8.370 nan 0.000 0.475 453 I N 1.238 121.574 120.570 -0.391 0.000 2.264 453 I HA -0.226 3.813 4.170 -0.219 0.000 0.248 453 I C 2.634 178.594 176.117 -0.262 0.000 1.111 453 I CA 0.670 61.798 61.300 -0.286 0.000 1.382 453 I CB -0.649 37.262 38.000 -0.148 0.000 1.060 453 I HN 0.060 nan 8.210 nan 0.000 0.418 454 I N -0.501 119.841 120.570 -0.380 0.000 2.179 454 I HA -0.286 3.753 4.170 -0.219 0.000 0.242 454 I C 2.235 178.024 176.117 -0.546 0.000 1.088 454 I CA 1.756 62.750 61.300 -0.510 0.000 1.357 454 I CB -0.494 36.850 38.000 -1.094 0.000 1.051 454 I HN 0.239 nan 8.210 nan 0.000 0.409 455 W N 0.403 121.706 121.300 0.005 0.000 2.937 455 W HA 0.013 4.541 4.660 -0.220 0.000 0.245 455 W C 2.433 178.968 176.519 0.028 0.000 1.306 455 W CA -0.083 57.291 57.345 0.048 0.000 1.470 455 W CB -0.211 29.333 29.460 0.140 0.000 1.132 455 W HN 0.201 nan 8.180 nan 0.000 0.675 456 Q N 0.075 119.882 119.800 0.011 0.000 2.394 456 Q HA -0.068 4.141 4.340 -0.219 0.000 0.218 456 Q C 0.915 176.816 176.000 -0.166 0.000 0.907 456 Q CA 1.117 56.897 55.803 -0.039 0.000 0.919 456 Q CB 0.348 29.016 28.738 -0.117 0.000 1.051 456 Q HN 0.123 nan 8.270 nan 0.000 0.538 457 D N -1.439 118.763 120.400 -0.330 0.000 2.489 457 D HA 0.048 4.557 4.640 -0.219 0.000 0.231 457 D C 0.414 176.337 176.300 -0.629 0.000 1.114 457 D CA 0.293 53.960 54.000 -0.555 0.000 0.842 457 D CB 0.450 40.734 40.800 -0.859 0.000 1.133 457 D HN 0.224 nan 8.370 nan 0.000 0.506 458 Y N 0.196 120.430 120.300 -0.110 0.000 2.664 458 Y HA 0.395 4.812 4.550 -0.222 0.000 0.278 458 Y C 0.896 176.761 175.900 -0.059 0.000 1.130 458 Y CA 0.015 58.054 58.100 -0.101 0.000 1.260 458 Y CB 1.028 39.399 38.460 -0.148 0.000 1.369 458 Y HN -0.261 nan 8.280 nan 0.000 0.499 459 L N -0.237 121.050 121.223 0.107 0.000 2.333 459 L HA 0.608 4.817 4.340 -0.219 0.000 0.263 459 L C -1.059 175.982 176.870 0.286 0.000 1.014 459 L CA -1.299 53.646 54.840 0.174 0.000 0.820 459 L CB 2.594 44.768 42.059 0.192 0.000 1.352 459 L HN -0.424 nan 8.230 nan 0.000 0.421 460 V N 1.032 121.098 119.914 0.253 0.000 2.383 460 V HA 0.683 4.672 4.120 -0.219 0.000 0.275 460 V C 0.489 176.720 176.094 0.228 0.000 1.036 460 V CA -0.046 62.378 62.300 0.207 0.000 0.889 460 V CB 0.941 32.826 31.823 0.104 0.000 0.985 460 V HN 0.903 nan 8.190 nan 0.000 0.459 461 G N 2.474 111.375 108.800 0.169 0.000 2.818 461 G HA2 0.474 4.302 3.960 -0.219 0.000 0.286 461 G HA3 0.474 4.302 3.960 -0.219 0.000 0.286 461 G C 0.844 175.597 174.900 -0.244 0.000 1.364 461 G CA 0.243 45.224 45.100 -0.199 0.000 0.938 461 G HN 0.685 nan 8.290 nan 0.000 0.490 462 S N -1.172 114.313 115.700 -0.360 0.000 2.383 462 S HA -0.052 4.286 4.470 -0.219 0.000 0.229 462 S C 2.306 176.726 174.600 -0.299 0.000 1.030 462 S CA 1.910 59.950 58.200 -0.266 0.000 1.002 462 S CB -0.598 62.452 63.200 -0.250 0.000 0.829 462 S HN 1.142 nan 8.310 nan 0.000 0.467 463 G N 0.814 109.379 108.800 -0.391 0.000 2.534 463 G HA2 -0.015 3.813 3.960 -0.219 0.000 0.217 463 G HA3 -0.015 3.813 3.960 -0.219 0.000 0.217 463 G C 1.437 176.035 174.900 -0.504 0.000 1.128 463 G CA 0.648 45.461 45.100 -0.478 0.000 0.784 463 G HN 0.574 nan 8.290 nan 0.000 0.542 464 S N 0.168 115.774 115.700 -0.156 0.000 2.419 464 S HA -0.126 4.213 4.470 -0.219 0.000 0.235 464 S C 2.371 176.856 174.600 -0.192 0.000 1.019 464 S CA 0.962 59.133 58.200 -0.050 0.000 0.982 464 S CB -0.129 63.103 63.200 0.053 0.000 0.789 464 S HN 0.205 nan 8.310 nan 0.000 0.490 465 V N 1.642 121.418 119.914 -0.230 0.000 2.720 465 V HA -0.126 3.863 4.120 -0.219 0.000 0.256 465 V C 1.870 177.786 176.094 -0.297 0.000 1.082 465 V CA 1.153 63.331 62.300 -0.203 0.000 1.101 465 V CB -0.556 31.173 31.823 -0.156 0.000 0.693 465 V HN 0.429 nan 8.190 nan 0.000 0.479 466 I N -1.285 118.963 120.570 -0.538 0.000 2.522 466 I HA -0.014 4.025 4.170 -0.219 0.000 0.240 466 I C 2.382 177.872 176.117 -1.046 0.000 1.078 466 I CA 1.236 62.114 61.300 -0.703 0.000 1.422 466 I CB -1.438 35.952 38.000 -1.016 0.000 1.188 466 I HN 0.254 nan 8.210 nan 0.000 0.442 467 Y N 1.714 121.453 120.300 -0.934 0.000 2.315 467 Y HA -0.171 4.254 4.550 -0.208 0.000 0.288 467 Y C 2.183 177.670 175.900 -0.689 0.000 1.154 467 Y CA 1.088 58.495 58.100 -1.154 0.000 1.229 467 Y CB -1.338 36.839 38.460 -0.471 0.000 0.980 467 Y HN 0.373 nan 8.280 nan 0.000 0.540 468 N N -1.035 117.502 118.700 -0.272 0.000 2.648 468 N HA -0.031 4.578 4.740 -0.219 0.000 0.234 468 N C 1.313 176.783 175.510 -0.068 0.000 1.034 468 N CA 0.392 53.385 53.050 -0.095 0.000 1.205 468 N CB -0.181 38.279 38.487 -0.045 0.000 1.573 468 N HN -0.002 nan 8.380 nan 0.000 0.615 469 N N 1.736 120.388 118.700 -0.080 0.000 2.023 469 N HA -0.239 4.369 4.740 -0.219 0.000 0.200 469 N C 1.591 177.104 175.510 0.005 0.000 1.048 469 N CA 1.988 55.013 53.050 -0.042 0.000 0.872 469 N CB -0.721 37.727 38.487 -0.065 0.000 1.070 469 N HN 0.304 nan 8.380 nan 0.000 0.441 470 A N 0.136 122.959 122.820 0.003 0.000 1.908 470 A HA -0.113 4.076 4.320 -0.219 0.000 0.218 470 A C 1.924 179.680 177.584 0.288 0.000 1.181 470 A CA 1.261 53.381 52.037 0.138 0.000 0.627 470 A CB -0.841 18.323 19.000 0.274 0.000 0.818 470 A HN 0.226 nan 8.150 nan 0.000 0.445 471 F N -0.106 119.854 119.950 0.017 0.000 2.171 471 F HA -0.071 4.321 4.527 -0.225 0.000 0.300 471 F C 2.183 178.000 175.800 0.028 0.000 1.090 471 F CA 0.302 58.317 58.000 0.026 0.000 1.293 471 F CB -0.945 38.057 39.000 0.003 0.000 1.013 471 F HN 0.136 nan 8.300 nan 0.000 0.486 472 I N -0.267 120.419 120.570 0.194 0.000 2.252 472 I HA -0.274 3.764 4.170 -0.219 0.000 0.245 472 I C 2.583 178.743 176.117 0.072 0.000 1.102 472 I CA 1.187 62.541 61.300 0.090 0.000 1.385 472 I CB -0.685 37.346 38.000 0.052 0.000 1.064 472 I HN 0.038 nan 8.210 nan 0.000 0.414 473 A N 0.521 123.390 122.820 0.082 0.000 1.933 473 A HA -0.246 3.943 4.320 -0.219 0.000 0.218 473 A C 2.212 179.837 177.584 0.069 0.000 1.175 473 A CA 1.372 53.439 52.037 0.050 0.000 0.628 473 A CB -0.884 18.135 19.000 0.032 0.000 0.814 473 A HN 0.421 nan 8.150 nan 0.000 0.444 474 F N 1.004 120.910 119.950 -0.074 0.000 2.102 474 F HA -0.053 4.341 4.527 -0.223 0.000 0.298 474 F C 2.538 178.294 175.800 -0.074 0.000 1.105 474 F CA 1.014 58.944 58.000 -0.117 0.000 1.239 474 F CB -0.598 38.300 39.000 -0.170 0.000 0.991 474 F HN 0.237 nan 8.300 nan 0.000 0.474 475 A N 0.047 122.841 122.820 -0.043 0.000 1.972 475 A HA -0.180 4.009 4.320 -0.219 0.000 0.219 475 A C 2.171 179.685 177.584 -0.117 0.000 1.169 475 A CA 1.799 53.761 52.037 -0.126 0.000 0.635 475 A CB -0.795 18.173 19.000 -0.052 0.000 0.810 475 A HN 0.526 nan 8.150 nan 0.000 0.446 476 N N -0.218 118.440 118.700 -0.069 0.000 2.182 476 N HA -0.067 4.542 4.740 -0.219 0.000 0.186 476 N C 0.237 175.704 175.510 -0.071 0.000 1.036 476 N CA 1.469 54.488 53.050 -0.052 0.000 0.850 476 N CB -0.064 38.410 38.487 -0.021 0.000 1.010 476 N HN 0.441 nan 8.380 nan 0.000 0.432 477 D N 0.624 120.980 120.400 -0.073 0.000 2.431 477 D HA 0.210 4.719 4.640 -0.219 0.000 0.213 477 D C 0.522 176.765 176.300 -0.096 0.000 1.130 477 D CA -0.087 53.873 54.000 -0.065 0.000 0.834 477 D CB 1.112 41.895 40.800 -0.029 0.000 0.985 477 D HN 0.118 nan 8.370 nan 0.000 0.504 478 L N 0.882 121.969 121.223 -0.226 0.000 4.232 478 L HA -0.226 3.983 4.340 -0.219 0.000 0.415 478 L C -0.477 176.401 176.870 0.013 0.000 1.168 478 L CA 0.682 55.301 54.840 -0.368 0.000 0.966 478 L CB -1.411 40.513 42.059 -0.225 0.000 2.052 478 L HN 0.072 nan 8.230 nan 0.000 0.887 479 D N -0.595 119.856 120.400 0.084 0.000 2.613 479 D HA 0.278 4.787 4.640 -0.219 0.000 0.230 479 D C -1.612 174.643 176.300 -0.076 0.000 1.365 479 D CA -1.409 52.608 54.000 0.029 0.000 0.976 479 D CB 1.771 42.597 40.800 0.044 0.000 1.415 479 D HN -0.202 nan 8.370 nan 0.000 0.589 480 P HA -0.092 nan 4.420 nan 0.000 0.225 480 P C 0.646 177.895 177.300 -0.086 0.000 1.148 480 P CA 0.499 63.457 63.100 -0.237 0.000 0.779 480 P CB 0.497 31.821 31.700 -0.626 0.000 0.780 481 N N 0.106 118.747 118.700 -0.098 0.000 2.494 481 N HA -0.041 4.567 4.740 -0.219 0.000 0.182 481 N C 1.352 176.846 175.510 -0.026 0.000 1.076 481 N CA 0.624 53.670 53.050 -0.007 0.000 0.908 481 N CB -0.095 38.414 38.487 0.037 0.000 0.967 481 N HN 0.175 nan 8.380 nan 0.000 0.449 482 K N 0.882 121.264 120.400 -0.029 0.000 2.504 482 K HA 0.125 4.313 4.320 -0.219 0.000 0.195 482 K C 1.555 178.126 176.600 -0.047 0.000 1.036 482 K CA 0.030 56.298 56.287 -0.032 0.000 0.984 482 K CB -0.055 32.434 32.500 -0.019 0.000 0.788 482 K HN 0.100 nan 8.250 nan 0.000 0.488 483 A N 0.747 123.539 122.820 -0.046 0.000 2.067 483 A HA 0.089 4.278 4.320 -0.219 0.000 0.219 483 A C 1.422 178.927 177.584 -0.132 0.000 1.158 483 A CA 1.228 53.228 52.037 -0.061 0.000 0.661 483 A CB -0.441 18.539 19.000 -0.033 0.000 0.801 483 A HN 0.371 nan 8.150 nan 0.000 0.452 484 G N -0.997 107.703 108.800 -0.167 0.000 2.182 484 G HA2 -0.197 3.631 3.960 -0.219 0.000 0.248 484 G HA3 -0.197 3.631 3.960 -0.219 0.000 0.248 484 G C 0.004 174.599 174.900 -0.509 0.000 1.042 484 G CA 0.212 45.128 45.100 -0.307 0.000 0.775 484 G HN 0.469 nan 8.290 nan 0.000 0.501 485 L N -1.536 119.488 121.223 -0.332 0.000 2.467 485 L HA 0.261 4.470 4.340 -0.219 0.000 0.270 485 L C 1.617 178.258 176.870 -0.381 0.000 1.205 485 L CA -0.426 54.213 54.840 -0.335 0.000 0.828 485 L CB 0.342 42.335 42.059 -0.111 0.000 1.101 485 L HN 0.271 nan 8.230 nan 0.000 0.479 486 W N 0.185 121.484 121.300 -0.001 0.000 3.077 486 W HA 0.049 4.577 4.660 -0.219 0.000 0.245 486 W C 0.424 176.948 176.519 0.009 0.000 1.316 486 W CA -0.146 57.201 57.345 0.004 0.000 1.537 486 W CB -0.066 29.391 29.460 -0.006 0.000 1.131 486 W HN 0.350 nan 8.180 nan 0.000 0.695 487 T N 1.075 115.705 114.554 0.126 0.000 2.847 487 T HA 0.082 4.301 4.350 -0.219 0.000 0.291 487 T C -0.372 174.369 174.700 0.068 0.000 0.998 487 T CA -0.803 61.351 62.100 0.089 0.000 0.967 487 T CB 0.926 69.823 68.868 0.049 0.000 0.954 487 T HN -0.084 nan 8.240 nan 0.000 0.441 488 N N 2.449 121.204 118.700 0.093 0.000 2.492 488 N HA -0.004 4.604 4.740 -0.219 0.000 0.262 488 N C -0.777 174.858 175.510 0.207 0.000 1.202 488 N CA -0.129 53.002 53.050 0.135 0.000 0.926 488 N CB 0.591 39.152 38.487 0.125 0.000 1.078 488 N HN 0.537 nan 8.380 nan 0.000 0.454 489 W N 7.592 128.932 121.300 0.066 0.000 2.317 489 W HA 0.373 4.897 4.660 -0.227 0.000 0.327 489 W C -2.227 174.424 176.519 0.220 0.000 1.036 489 W CA -2.418 54.999 57.345 0.120 0.000 1.419 489 W CB 0.180 29.686 29.460 0.076 0.000 1.253 489 W HN 0.441 nan 8.180 nan 0.000 0.392 490 P HA 0.052 nan 4.420 nan 0.000 0.272 490 P C 0.213 177.723 177.300 0.350 0.000 1.223 490 P CA 0.186 63.498 63.100 0.353 0.000 0.784 490 P CB 1.175 33.003 31.700 0.214 0.000 0.923 491 T N 0.010 114.628 114.554 0.107 0.000 2.899 491 T HA 0.210 4.428 4.350 -0.219 0.000 0.295 491 T C -0.538 174.157 174.700 -0.008 0.000 1.033 491 T CA -0.237 61.771 62.100 -0.153 0.000 1.084 491 T CB 0.209 68.933 68.868 -0.241 0.000 0.979 491 T HN 0.334 nan 8.240 nan 0.000 0.532 492 Y N 1.585 121.794 120.300 -0.151 0.000 2.341 492 Y HA 0.461 4.885 4.550 -0.211 0.000 0.337 492 Y C 1.242 177.087 175.900 -0.092 0.000 1.014 492 Y CA -0.350 57.713 58.100 -0.061 0.000 1.111 492 Y CB 1.840 40.299 38.460 -0.001 0.000 1.194 492 Y HN 1.008 nan 8.280 nan 0.000 0.462 493 T N -0.588 113.873 114.554 -0.155 0.000 3.098 493 T HA 0.323 4.542 4.350 -0.219 0.000 0.246 493 T C 0.136 174.789 174.700 -0.078 0.000 0.983 493 T CA 0.544 62.600 62.100 -0.072 0.000 1.094 493 T CB -0.242 68.551 68.868 -0.126 0.000 1.035 493 T HN 0.612 nan 8.240 nan 0.000 0.456 494 S N 0.575 116.077 115.700 -0.331 0.000 2.565 494 S HA 0.471 4.809 4.470 -0.219 0.000 0.269 494 S C 0.687 175.059 174.600 -0.380 0.000 1.153 494 S CA 0.017 58.092 58.200 -0.208 0.000 0.835 494 S CB 1.331 64.426 63.200 -0.175 0.000 1.122 494 S HN 0.508 nan 8.310 nan 0.000 0.462 495 S N 0.702 116.295 115.700 -0.178 0.000 2.547 495 S HA -0.020 4.319 4.470 -0.219 0.000 0.235 495 S C 1.205 175.663 174.600 -0.236 0.000 0.980 495 S CA 0.847 58.925 58.200 -0.203 0.000 0.941 495 S CB -0.818 62.249 63.200 -0.223 0.000 0.763 495 S HN 1.421 nan 8.310 nan 0.000 0.532 496 S N 0.313 115.882 115.700 -0.218 0.000 2.629 496 S HA 0.181 4.519 4.470 -0.219 0.000 0.236 496 S C 0.484 174.986 174.600 -0.163 0.000 1.010 496 S CA -0.818 57.278 58.200 -0.173 0.000 0.981 496 S CB -0.422 62.693 63.200 -0.142 0.000 0.919 496 S HN 0.770 nan 8.310 nan 0.000 0.514 497 Q N 1.341 121.016 119.800 -0.209 0.000 2.524 497 Q HA 0.373 4.581 4.340 -0.219 0.000 0.246 497 Q C -0.107 175.807 176.000 -0.144 0.000 1.063 497 Q CA -0.218 55.475 55.803 -0.183 0.000 0.945 497 Q CB 0.321 28.914 28.738 -0.241 0.000 1.292 497 Q HN 0.139 nan 8.270 nan 0.000 0.518 498 S N 0.566 116.203 115.700 -0.106 0.000 2.548 498 S HA 0.543 4.882 4.470 -0.219 0.000 0.277 498 S C 0.220 174.781 174.600 -0.066 0.000 1.315 498 S CA 0.676 58.831 58.200 -0.075 0.000 1.050 498 S CB -0.347 62.821 63.200 -0.054 0.000 0.918 498 S HN 1.151 nan 8.310 nan 0.000 0.497 499 G N 4.414 113.185 108.800 -0.048 0.000 2.760 499 G HA2 -0.215 3.614 3.960 -0.219 0.000 0.246 499 G HA3 -0.215 3.614 3.960 -0.219 0.000 0.246 499 G C -0.678 174.204 174.900 -0.031 0.000 1.359 499 G CA -0.524 44.559 45.100 -0.028 0.000 0.861 499 G HN 0.904 nan 8.290 nan 0.000 0.541 500 N N 1.352 120.051 118.700 -0.002 0.000 2.475 500 N HA 0.323 4.931 4.740 -0.219 0.000 0.267 500 N C 0.784 176.303 175.510 0.016 0.000 1.169 500 N CA 0.253 53.310 53.050 0.011 0.000 0.947 500 N CB 0.378 38.883 38.487 0.030 0.000 1.061 500 N HN 0.701 nan 8.380 nan 0.000 0.466 501 N N 2.721 121.430 118.700 0.015 0.000 2.197 501 N HA 0.133 4.742 4.740 -0.219 0.000 0.228 501 N C -0.969 174.692 175.510 0.252 0.000 1.212 501 N CA 0.007 53.090 53.050 0.056 0.000 0.883 501 N CB 0.549 38.903 38.487 -0.221 0.000 1.107 501 N HN 0.339 nan 8.380 nan 0.000 0.519 502 L N 0.681 122.005 121.223 0.169 0.000 2.385 502 L HA 0.510 4.718 4.340 -0.219 0.000 0.273 502 L C -0.630 176.198 176.870 -0.070 0.000 0.990 502 L CA -1.112 53.824 54.840 0.159 0.000 0.821 502 L CB 2.056 44.203 42.059 0.147 0.000 1.279 502 L HN -0.005 nan 8.230 nan 0.000 0.412 503 M N 3.523 122.960 119.600 -0.272 0.000 2.162 503 M HA 0.323 4.671 4.480 -0.219 0.000 0.356 503 M C -0.745 175.274 176.300 -0.468 0.000 1.303 503 M CA 0.577 55.470 55.300 -0.679 0.000 1.116 503 M CB 0.576 32.092 32.600 -1.807 0.000 1.632 503 M HN 0.482 nan 8.290 nan 0.000 0.469 504 Q N 4.453 123.926 119.800 -0.545 0.000 2.399 504 Q HA 0.748 4.957 4.340 -0.219 0.000 0.276 504 Q C -1.353 174.375 176.000 -0.453 0.000 1.098 504 Q CA -0.868 54.594 55.803 -0.569 0.000 0.827 504 Q CB 2.549 30.699 28.738 -0.980 0.000 1.386 504 Q HN 0.775 nan 8.270 nan 0.000 0.443 505 I N 1.668 122.117 120.570 -0.202 0.000 2.498 505 I HA 0.356 4.394 4.170 -0.219 0.000 0.290 505 I C -0.657 175.530 176.117 0.116 0.000 1.032 505 I CA -0.794 60.470 61.300 -0.060 0.000 1.073 505 I CB 1.762 39.662 38.000 -0.167 0.000 1.251 505 I HN 0.691 nan 8.210 nan 0.000 0.426 506 N N 3.029 121.802 118.700 0.121 0.000 3.002 506 N HA 0.436 5.045 4.740 -0.219 0.000 0.331 506 N C 0.942 176.413 175.510 -0.064 0.000 1.384 506 N CA -0.542 52.541 53.050 0.055 0.000 0.780 506 N CB 0.370 38.857 38.487 0.001 0.000 1.492 506 N HN 0.496 nan 8.380 nan 0.000 0.608 507 G N -0.970 107.780 108.800 -0.084 0.000 2.448 507 G HA2 -0.095 3.733 3.960 -0.219 0.000 0.219 507 G HA3 -0.095 3.733 3.960 -0.219 0.000 0.219 507 G C 0.706 175.523 174.900 -0.138 0.000 1.127 507 G CA 0.747 45.771 45.100 -0.127 0.000 0.766 507 G HN 0.366 nan 8.290 nan 0.000 0.552 508 L N -0.853 120.307 121.223 -0.105 0.000 2.388 508 L HA 0.369 4.577 4.340 -0.219 0.000 0.209 508 L C 1.467 178.286 176.870 -0.084 0.000 1.061 508 L CA 1.429 56.211 54.840 -0.095 0.000 0.834 508 L CB -0.889 41.122 42.059 -0.080 0.000 1.029 508 L HN 0.332 nan 8.230 nan 0.000 0.473 509 G N -0.829 107.933 108.800 -0.062 0.000 2.677 509 G HA2 0.505 4.334 3.960 -0.219 0.000 0.283 509 G HA3 0.505 4.334 3.960 -0.219 0.000 0.283 509 G C -1.430 173.473 174.900 0.004 0.000 1.221 509 G CA -0.563 44.514 45.100 -0.039 0.000 0.851 509 G HN -0.072 nan 8.290 nan 0.000 0.504 510 L N 0.122 121.362 121.223 0.028 0.000 2.332 510 L HA 0.866 5.074 4.340 -0.219 0.000 0.269 510 L C -0.300 176.686 176.870 0.192 0.000 1.016 510 L CA -1.036 53.830 54.840 0.043 0.000 0.809 510 L CB 1.857 43.876 42.059 -0.067 0.000 1.280 510 L HN 0.838 nan 8.230 nan 0.000 0.447 511 Y N -1.511 118.736 120.300 -0.089 0.000 2.814 511 Y HA 0.633 5.053 4.550 -0.217 0.000 0.348 511 Y C -0.935 174.926 175.900 -0.064 0.000 1.245 511 Y CA -1.352 56.715 58.100 -0.055 0.000 1.086 511 Y CB 0.800 39.237 38.460 -0.038 0.000 1.373 511 Y HN 0.594 nan 8.280 nan 0.000 0.451 512 T N -0.779 113.714 114.554 -0.102 0.000 2.924 512 T HA 0.955 5.174 4.350 -0.219 0.000 0.291 512 T C -0.156 174.482 174.700 -0.104 0.000 1.045 512 T CA -0.211 61.775 62.100 -0.190 0.000 1.015 512 T CB 1.737 70.576 68.868 -0.049 0.000 1.103 512 T HN 1.653 nan 8.240 nan 0.000 0.496 513 G N 0.420 109.166 108.800 -0.090 0.000 2.870 513 G HA2 0.662 4.490 3.960 -0.219 0.000 0.299 513 G HA3 0.662 4.490 3.960 -0.219 0.000 0.299 513 G C -1.723 173.211 174.900 0.056 0.000 1.324 513 G CA -1.149 43.964 45.100 0.021 0.000 0.808 513 G HN 0.796 nan 8.290 nan 0.000 0.535 514 K N 0.019 120.477 120.400 0.096 0.000 2.259 514 K HA 0.334 4.523 4.320 -0.219 0.000 0.252 514 K C -1.316 175.352 176.600 0.114 0.000 0.936 514 K CA -0.701 55.629 56.287 0.071 0.000 0.810 514 K CB 2.542 35.060 32.500 0.029 0.000 1.143 514 K HN 0.375 nan 8.250 nan 0.000 0.427 515 D N 2.381 122.796 120.400 0.026 0.000 2.994 515 D HA 0.009 4.518 4.640 -0.219 0.000 0.240 515 D C -0.017 176.045 176.300 -0.397 0.000 1.195 515 D CA -0.022 53.894 54.000 -0.141 0.000 0.957 515 D CB -0.211 40.650 40.800 0.101 0.000 1.105 515 D HN 0.491 nan 8.370 nan 0.000 0.477 516 N N 0.635 119.131 118.700 -0.340 0.000 2.197 516 N HA 0.045 4.653 4.740 -0.219 0.000 0.228 516 N C -0.190 175.173 175.510 -0.244 0.000 1.212 516 N CA -0.558 52.321 53.050 -0.286 0.000 0.883 516 N CB -0.771 37.640 38.487 -0.128 0.000 1.107 516 N HN 0.098 nan 8.380 nan 0.000 0.519 517 F N 0.592 120.511 119.950 -0.052 0.000 2.410 517 F HA 0.523 4.915 4.527 -0.223 0.000 0.334 517 F C 1.113 176.866 175.800 -0.078 0.000 1.134 517 F CA -1.187 56.768 58.000 -0.076 0.000 1.227 517 F CB 0.488 39.419 39.000 -0.115 0.000 1.194 517 F HN -0.111 nan 8.300 nan 0.000 0.571 518 R N 0.006 120.586 120.500 0.134 0.000 3.251 518 R HA -0.141 4.068 4.340 -0.219 0.000 0.249 518 R C -2.107 174.197 176.300 0.007 0.000 0.949 518 R CA 0.467 56.593 56.100 0.044 0.000 0.645 518 R CB -1.720 28.628 30.300 0.080 0.000 1.065 518 R HN 0.642 nan 8.270 nan 0.000 0.452 519 P HA -0.153 nan 4.420 nan 0.000 0.217 519 P C 0.618 177.952 177.300 0.056 0.000 1.151 519 P CA 1.045 64.145 63.100 0.001 0.000 0.828 519 P CB 0.160 31.836 31.700 -0.041 0.000 0.788 520 D N 0.054 120.449 120.400 -0.008 0.000 2.264 520 D HA -0.045 4.463 4.640 -0.219 0.000 0.208 520 D C 2.044 178.294 176.300 -0.082 0.000 0.966 520 D CA 1.160 55.143 54.000 -0.029 0.000 0.864 520 D CB -0.366 40.399 40.800 -0.057 0.000 0.933 520 D HN 0.156 nan 8.370 nan 0.000 0.499 521 A N -0.108 122.623 122.820 -0.148 0.000 1.930 521 A HA -0.154 4.034 4.320 -0.219 0.000 0.215 521 A C 2.092 179.632 177.584 -0.074 0.000 1.176 521 A CA 0.683 52.557 52.037 -0.271 0.000 0.632 521 A CB -0.764 17.935 19.000 -0.501 0.000 0.819 521 A HN 0.304 nan 8.150 nan 0.000 0.445 522 Y N 1.938 122.216 120.300 -0.036 0.000 2.200 522 Y HA -0.238 4.179 4.550 -0.222 0.000 0.290 522 Y C 2.813 178.784 175.900 0.119 0.000 1.137 522 Y CA 2.137 60.311 58.100 0.124 0.000 1.163 522 Y CB -0.194 38.368 38.460 0.170 0.000 0.988 522 Y HN 0.418 nan 8.280 nan 0.000 0.518 523 S N 0.178 115.987 115.700 0.183 0.000 2.387 523 S HA -0.099 4.240 4.470 -0.219 0.000 0.226 523 S C 2.215 176.794 174.600 -0.035 0.000 1.026 523 S CA 0.678 58.938 58.200 0.100 0.000 0.972 523 S CB -1.003 62.276 63.200 0.133 0.000 0.814 523 S HN 0.500 nan 8.310 nan 0.000 0.477 524 A N 1.806 124.568 122.820 -0.096 0.000 1.933 524 A HA 0.182 4.371 4.320 -0.219 0.000 0.218 524 A C 2.273 179.705 177.584 -0.254 0.000 1.175 524 A CA 1.252 53.211 52.037 -0.131 0.000 0.628 524 A CB -0.707 18.204 19.000 -0.150 0.000 0.814 524 A HN 0.538 nan 8.150 nan 0.000 0.444 525 L N -2.597 118.301 121.223 -0.542 0.000 2.162 525 L HA 0.055 4.264 4.340 -0.219 0.000 0.205 525 L C 1.138 177.506 176.870 -0.837 0.000 1.086 525 L CA 0.695 54.927 54.840 -1.013 0.000 0.778 525 L CB -0.082 41.044 42.059 -1.556 0.000 0.928 525 L HN 0.395 nan 8.230 nan 0.000 0.446 526 F N -1.948 117.875 119.950 -0.211 0.000 2.654 526 F HA 0.211 4.605 4.527 -0.222 0.000 0.303 526 F C 2.067 177.832 175.800 -0.057 0.000 1.099 526 F CA -0.241 57.630 58.000 -0.214 0.000 1.270 526 F CB -0.370 38.450 39.000 -0.300 0.000 1.024 526 F HN -0.184 nan 8.300 nan 0.000 0.548 527 S N 0.001 115.748 115.700 0.078 0.000 2.447 527 S HA -0.124 4.215 4.470 -0.219 0.000 0.233 527 S C 0.889 175.515 174.600 0.043 0.000 1.006 527 S CA 0.914 59.165 58.200 0.086 0.000 0.957 527 S CB -0.281 62.948 63.200 0.047 0.000 0.773 527 S HN 0.479 nan 8.310 nan 0.000 0.507 528 N N -0.167 118.521 118.700 -0.021 0.000 2.839 528 N HA 0.142 4.750 4.740 -0.219 0.000 0.230 528 N C -2.942 172.421 175.510 -0.246 0.000 1.388 528 N CA -1.067 51.905 53.050 -0.130 0.000 0.747 528 N CB 1.198 39.581 38.487 -0.173 0.000 1.411 528 N HN -0.143 nan 8.380 nan 0.000 0.556 529 P HA -0.102 nan 4.420 nan 0.000 0.216 529 P C -1.660 175.103 177.300 -0.896 0.000 1.154 529 P CA 1.403 64.218 63.100 -0.475 0.000 0.865 529 P CB -0.387 30.824 31.700 -0.814 0.000 0.789 530 P HA -0.091 nan 4.420 nan 0.000 0.221 530 P C 1.315 178.039 177.300 -0.960 0.000 1.145 530 P CA 1.568 63.630 63.100 -1.730 0.000 0.795 530 P CB -0.545 30.549 31.700 -1.010 0.000 0.775 531 S N -1.960 113.304 115.700 -0.727 0.000 2.515 531 S HA 0.006 4.344 4.470 -0.219 0.000 0.231 531 S C 0.607 174.635 174.600 -0.953 0.000 0.987 531 S CA 0.848 58.604 58.200 -0.740 0.000 0.936 531 S CB -0.650 62.032 63.200 -0.864 0.000 0.766 531 S HN 0.161 nan 8.310 nan 0.000 0.528 532 F N 0.142 119.898 119.950 -0.323 0.000 2.805 532 F HA 0.444 4.838 4.527 -0.221 0.000 0.317 532 F C -0.122 175.754 175.800 0.127 0.000 1.146 532 F CA -1.132 56.676 58.000 -0.320 0.000 1.265 532 F CB 0.188 38.761 39.000 -0.712 0.000 0.992 532 F HN -0.008 nan 8.300 nan 0.000 0.511 533 F N 0.800 120.789 119.950 0.066 0.000 2.380 533 F HA 0.533 4.936 4.527 -0.206 0.000 0.325 533 F C 0.716 176.622 175.800 0.177 0.000 1.136 533 F CA -1.762 56.294 58.000 0.094 0.000 1.171 533 F CB 0.812 39.827 39.000 0.024 0.000 1.230 533 F HN -0.198 nan 8.300 nan 0.000 0.554 534 V N 0.000 120.070 119.914 0.260 0.000 2.409 534 V HA 0.000 3.989 4.120 -0.219 0.000 0.244 534 V CA 0.000 62.372 62.300 0.121 0.000 1.235 534 V CB 0.000 31.833 31.823 0.017 0.000 1.184 534 V HN 0.000 nan 8.190 nan 0.000 0.556