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 1dlc_1_A DATA FIRST_RESID 61 DATA SEQUENCE TTKDVIQKGI SVVGDLLGVV GFPFGGALVS FYTNFLNTIW PSEDPWKAFM DATA SEQUENCE EQVEALMDQK IADYAKNKAL AELQGLQNNV EDYVSALSSW QKNPVSSRNP DATA SEQUENCE HSQGRIRELF SQAESHFRNS MPSFAISGYE VLFLTTYAQA ANTHLFLLKD DATA SEQUENCE AQIYGEEWGY EKEDIAEFYK RQLKLTQEYT DHCVKWYNVG LDKLRGSSYE DATA SEQUENCE SWVNFNRYRR EMTLTVLDLI ALFPLYDVRL YPKEVKTELT RDVLTDPIVG DATA SEQUENCE VNNLRGYGTT FSNIENYIRK PHLFDYLHRI QFHTRFQPGY YGNDSFNYWS DATA SEQUENCE GNYVSTRPSI GSNDIITSPF YGNKSSEPVQ NLEFNGEKVY RAVANTNLAV DATA SEQUENCE WPSAVYSGVT KVEFSQYNDQ TDEASTQTYD SKRNVGAVSW DSIDQLPPET DATA SEQUENCE TDEPLEKGYS HQLNYVMCFL MQGSRGTIPV LTWTHKSVDF FNMIDSKKIT DATA SEQUENCE QLPLVKAYKL QSGASVVAGP RFTGGDIIQC TENGSAATIY VTPDVSYSQK DATA SEQUENCE YRARIHYAST SQITFTLSLD GAPFNQYYFD KTINKGDTLT YNSFNLASFS DATA SEQUENCE TPFELSGNNL QIGVTGLSAG DKVYIDKIEF IPVN 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 61 T HA 0.000 nan 4.350 nan 0.000 0.228 61 T C 0.000 174.661 174.700 -0.065 0.000 1.109 61 T CA 0.000 62.067 62.100 -0.055 0.000 1.349 61 T CB 0.000 68.845 68.868 -0.038 0.000 0.612 62 T N 0.272 114.785 114.554 -0.069 0.000 6.500 62 T HA -0.258 4.093 4.350 0.002 0.000 0.302 62 T C 0.882 175.527 174.700 -0.093 0.000 1.706 62 T CA 2.593 64.644 62.100 -0.081 0.000 2.745 62 T CB -2.240 66.591 68.868 -0.062 0.000 2.168 62 T HN 0.919 nan 8.240 nan 0.000 1.110 63 K N 1.383 121.728 120.400 -0.092 0.000 2.160 63 K HA -0.002 4.319 4.320 0.002 0.000 0.206 63 K C 1.805 178.345 176.600 -0.101 0.000 1.047 63 K CA 1.640 57.871 56.287 -0.094 0.000 0.930 63 K CB -0.603 31.841 32.500 -0.093 0.000 0.720 63 K HN 0.677 nan 8.250 nan 0.000 0.450 64 D N 0.685 121.014 120.400 -0.119 0.000 2.103 64 D HA -0.172 4.469 4.640 0.002 0.000 0.190 64 D C 1.741 177.927 176.300 -0.190 0.000 0.997 64 D CA 2.060 55.970 54.000 -0.150 0.000 0.833 64 D CB -0.003 40.695 40.800 -0.171 0.000 0.961 64 D HN 0.069 nan 8.370 nan 0.000 0.447 65 V N -0.921 118.850 119.914 -0.238 0.000 2.626 65 V HA -0.111 4.010 4.120 0.002 0.000 0.252 65 V C 2.319 178.371 176.094 -0.069 0.000 1.067 65 V CA 0.887 63.009 62.300 -0.297 0.000 1.081 65 V CB -0.673 30.908 31.823 -0.403 0.000 0.686 65 V HN 0.211 nan 8.190 nan 0.000 0.468 66 I N -0.016 120.520 120.570 -0.058 0.000 2.353 66 I HA -0.121 4.050 4.170 0.002 0.000 0.248 66 I C 2.776 178.884 176.117 -0.016 0.000 1.119 66 I CA 1.492 62.779 61.300 -0.021 0.000 1.417 66 I CB -1.282 36.688 38.000 -0.051 0.000 1.078 66 I HN 0.410 nan 8.210 nan 0.000 0.421 67 Q N 1.244 121.017 119.800 -0.045 0.000 2.079 67 Q HA -0.173 4.168 4.340 0.002 0.000 0.200 67 Q C 2.205 178.192 176.000 -0.022 0.000 0.974 67 Q CA 1.342 57.125 55.803 -0.034 0.000 0.840 67 Q CB 0.103 28.809 28.738 -0.054 0.000 0.898 67 Q HN 0.491 nan 8.270 nan 0.000 0.430 68 K N -0.736 119.635 120.400 -0.049 0.000 2.032 68 K HA -0.130 4.191 4.320 0.002 0.000 0.209 68 K C 2.077 178.706 176.600 0.048 0.000 1.048 68 K CA 1.227 57.494 56.287 -0.033 0.000 0.927 68 K CB -0.396 32.033 32.500 -0.118 0.000 0.712 68 K HN 0.260 nan 8.250 nan 0.000 0.441 69 G N 1.685 110.537 108.800 0.087 0.000 2.446 69 G HA2 -0.241 3.720 3.960 0.002 0.000 0.217 69 G HA3 -0.241 3.720 3.960 0.002 0.000 0.217 69 G C 1.535 176.473 174.900 0.063 0.000 1.168 69 G CA 0.762 45.916 45.100 0.091 0.000 0.771 69 G HN 0.138 nan 8.290 nan 0.000 0.551 70 I N 0.944 121.551 120.570 0.062 0.000 2.226 70 I HA -0.174 3.997 4.170 0.002 0.000 0.245 70 I C 3.026 179.186 176.117 0.071 0.000 1.100 70 I CA 1.160 62.509 61.300 0.083 0.000 1.374 70 I CB -0.211 37.843 38.000 0.091 0.000 1.057 70 I HN 0.123 nan 8.210 nan 0.000 0.413 71 S N 0.393 116.123 115.700 0.050 0.000 2.356 71 S HA -0.137 4.334 4.470 0.002 0.000 0.223 71 S C 2.109 176.755 174.600 0.076 0.000 1.032 71 S CA 1.162 59.390 58.200 0.047 0.000 1.005 71 S CB -0.327 62.888 63.200 0.025 0.000 0.867 71 S HN 0.214 nan 8.310 nan 0.000 0.449 72 V N 1.583 121.555 119.914 0.095 0.000 2.287 72 V HA -0.160 3.961 4.120 0.002 0.000 0.248 72 V C 2.340 178.504 176.094 0.117 0.000 1.053 72 V CA 1.533 63.922 62.300 0.149 0.000 1.027 72 V CB -0.779 31.153 31.823 0.181 0.000 0.646 72 V HN 0.335 nan 8.190 nan 0.000 0.447 73 V N 0.824 120.779 119.914 0.068 0.000 2.343 73 V HA -0.202 3.919 4.120 0.002 0.000 0.247 73 V C 2.616 178.728 176.094 0.031 0.000 1.051 73 V CA 2.231 64.543 62.300 0.020 0.000 1.036 73 V CB -1.382 30.433 31.823 -0.013 0.000 0.654 73 V HN 0.626 nan 8.190 nan 0.000 0.451 74 G N -0.508 108.333 108.800 0.067 0.000 2.418 74 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 74 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 74 G C 1.255 176.189 174.900 0.057 0.000 1.158 74 G CA 1.013 46.153 45.100 0.067 0.000 0.771 74 G HN 0.502 nan 8.290 nan 0.000 0.545 75 D N 0.463 120.920 120.400 0.095 0.000 2.117 75 D HA -0.025 4.616 4.640 0.002 0.000 0.198 75 D C 2.646 178.990 176.300 0.073 0.000 0.982 75 D CA 0.341 54.433 54.000 0.154 0.000 0.828 75 D CB -0.307 40.663 40.800 0.282 0.000 0.967 75 D HN 0.262 nan 8.370 nan 0.000 0.464 76 L N 0.485 121.703 121.223 -0.008 0.000 2.127 76 L HA -0.132 4.209 4.340 0.002 0.000 0.211 76 L C 2.419 179.203 176.870 -0.144 0.000 1.089 76 L CA 0.471 55.151 54.840 -0.267 0.000 0.757 76 L CB -0.257 41.680 42.059 -0.204 0.000 0.899 76 L HN 0.045 nan 8.230 nan 0.000 0.434 77 L N -0.568 120.621 121.223 -0.057 0.000 2.349 77 L HA -0.157 4.184 4.340 0.002 0.000 0.220 77 L C 2.257 179.114 176.870 -0.021 0.000 1.130 77 L CA 1.042 55.862 54.840 -0.033 0.000 0.791 77 L CB -0.642 41.415 42.059 -0.004 0.000 0.918 77 L HN 0.338 nan 8.230 nan 0.000 0.444 78 G N -1.113 107.670 108.800 -0.030 0.000 2.744 78 G HA2 0.046 4.007 3.960 0.002 0.000 0.211 78 G HA3 0.046 4.007 3.960 0.002 0.000 0.211 78 G C 1.009 175.886 174.900 -0.039 0.000 1.146 78 G CA 0.711 45.805 45.100 -0.009 0.000 0.787 78 G HN 0.297 nan 8.290 nan 0.000 0.534 79 V N -1.699 118.141 119.914 -0.123 0.000 2.988 79 V HA 0.506 4.627 4.120 0.002 0.000 0.356 79 V C 0.116 176.166 176.094 -0.073 0.000 1.380 79 V CA -0.840 61.376 62.300 -0.140 0.000 1.184 79 V CB 0.304 31.949 31.823 -0.296 0.000 1.204 79 V HN -0.084 nan 8.190 nan 0.000 0.530 80 V N 2.479 122.381 119.914 -0.020 0.000 2.607 80 V HA 0.846 4.967 4.120 0.002 0.000 0.289 80 V C 1.204 177.327 176.094 0.049 0.000 1.053 80 V CA 1.436 63.762 62.300 0.043 0.000 0.996 80 V CB 0.703 32.529 31.823 0.004 0.000 0.995 80 V HN 1.210 nan 8.190 nan 0.000 0.476 81 G N 5.139 113.980 108.800 0.069 0.000 2.527 81 G HA2 -0.225 3.736 3.960 0.002 0.000 0.227 81 G HA3 -0.225 3.736 3.960 0.002 0.000 0.227 81 G C -0.604 174.382 174.900 0.144 0.000 1.291 81 G CA 0.049 45.230 45.100 0.135 0.000 0.904 81 G HN 0.930 nan 8.290 nan 0.000 0.577 82 F N 4.848 124.842 119.950 0.072 0.000 2.405 82 F HA 0.551 5.079 4.527 0.002 0.000 0.358 82 F C -1.052 174.763 175.800 0.025 0.000 1.151 82 F CA -1.845 56.167 58.000 0.021 0.000 1.161 82 F CB 0.973 39.986 39.000 0.021 0.000 1.245 82 F HN 0.395 nan 8.300 nan 0.000 0.545 83 P HA 0.173 nan 4.420 nan 0.000 0.281 83 P C -0.849 176.586 177.300 0.225 0.000 1.249 83 P CA -0.415 62.750 63.100 0.108 0.000 0.810 83 P CB 1.087 32.748 31.700 -0.065 0.000 1.008 84 F N 0.700 120.738 119.950 0.146 0.000 2.427 84 F HA 0.500 5.028 4.527 0.002 0.000 0.352 84 F C 1.421 177.311 175.800 0.149 0.000 1.100 84 F CA -0.298 57.794 58.000 0.154 0.000 1.191 84 F CB -0.248 38.825 39.000 0.122 0.000 1.128 84 F HN 0.484 nan 8.300 nan 0.000 0.533 85 G N 3.459 112.488 108.800 0.381 0.000 2.663 85 G HA2 -0.354 3.607 3.960 0.002 0.000 0.222 85 G HA3 -0.354 3.607 3.960 0.002 0.000 0.222 85 G C 1.504 176.485 174.900 0.135 0.000 1.146 85 G CA 1.097 46.380 45.100 0.305 0.000 0.764 85 G HN 1.118 nan 8.290 nan 0.000 0.608 86 G N 0.760 109.613 108.800 0.088 0.000 2.402 86 G HA2 0.101 4.062 3.960 0.002 0.000 0.216 86 G HA3 0.101 4.062 3.960 0.002 0.000 0.216 86 G C 2.070 176.735 174.900 -0.392 0.000 1.162 86 G CA 1.440 46.526 45.100 -0.023 0.000 0.777 86 G HN 0.770 nan 8.290 nan 0.000 0.539 87 A N 0.569 122.720 122.820 -1.115 0.000 1.902 87 A HA 0.082 4.403 4.320 0.002 0.000 0.217 87 A C 2.327 179.797 177.584 -0.191 0.000 1.181 87 A CA 1.296 52.959 52.037 -0.624 0.000 0.623 87 A CB -0.463 18.091 19.000 -0.744 0.000 0.818 87 A HN 0.338 nan 8.150 nan 0.000 0.443 88 L N 0.151 121.292 121.223 -0.136 0.000 2.012 88 L HA -0.152 4.189 4.340 0.002 0.000 0.210 88 L C 2.466 179.489 176.870 0.255 0.000 1.073 88 L CA 2.061 56.937 54.840 0.060 0.000 0.748 88 L CB -0.551 41.565 42.059 0.095 0.000 0.891 88 L HN 0.295 nan 8.230 nan 0.000 0.431 89 V N -0.698 119.365 119.914 0.247 0.000 2.358 89 V HA -0.236 3.885 4.120 0.002 0.000 0.246 89 V C 2.667 178.908 176.094 0.246 0.000 1.047 89 V CA 1.744 64.227 62.300 0.306 0.000 1.035 89 V CB -0.463 31.482 31.823 0.202 0.000 0.658 89 V HN 0.408 nan 8.190 nan 0.000 0.452 90 S N 0.007 115.794 115.700 0.146 0.000 2.353 90 S HA -0.240 4.231 4.470 0.002 0.000 0.222 90 S C 1.790 176.472 174.600 0.136 0.000 1.035 90 S CA 2.185 60.453 58.200 0.114 0.000 1.025 90 S CB -0.538 62.700 63.200 0.065 0.000 0.902 90 S HN 0.613 nan 8.310 nan 0.000 0.440 91 F N 1.553 121.517 119.950 0.023 0.000 2.043 91 F HA -0.237 4.291 4.527 0.002 0.000 0.297 91 F C 2.039 177.906 175.800 0.113 0.000 1.121 91 F CA 1.525 59.517 58.000 -0.014 0.000 1.199 91 F CB -0.796 38.109 39.000 -0.158 0.000 0.968 91 F HN 0.142 nan 8.300 nan 0.000 0.478 92 Y N 1.290 121.665 120.300 0.126 0.000 2.181 92 Y HA -0.295 4.256 4.550 0.002 0.000 0.284 92 Y C 3.018 178.956 175.900 0.064 0.000 1.179 92 Y CA 2.143 60.325 58.100 0.136 0.000 1.179 92 Y CB -1.513 37.116 38.460 0.282 0.000 0.973 92 Y HN 0.353 nan 8.280 nan 0.000 0.519 93 T N -2.553 112.117 114.554 0.193 0.000 2.777 93 T HA -0.143 4.208 4.350 0.002 0.000 0.266 93 T C 1.823 176.552 174.700 0.049 0.000 1.040 93 T CA 1.482 63.647 62.100 0.109 0.000 1.141 93 T CB -0.429 68.489 68.868 0.083 0.000 0.868 93 T HN 0.178 nan 8.240 nan 0.000 0.444 94 N N 0.860 119.552 118.700 -0.013 0.000 2.106 94 N HA 0.027 4.768 4.740 0.002 0.000 0.188 94 N C 1.396 176.880 175.510 -0.043 0.000 1.029 94 N CA 0.898 53.921 53.050 -0.045 0.000 0.848 94 N CB -0.840 37.599 38.487 -0.081 0.000 1.007 94 N HN 0.378 nan 8.380 nan 0.000 0.423 95 F N 1.496 121.228 119.950 -0.363 0.000 2.063 95 F HA -0.172 4.356 4.527 0.002 0.000 0.298 95 F C 1.898 177.727 175.800 0.048 0.000 1.109 95 F CA 1.092 58.916 58.000 -0.294 0.000 1.212 95 F CB -0.601 38.089 39.000 -0.517 0.000 0.973 95 F HN -0.060 nan 8.300 nan 0.000 0.480 96 L N 0.417 121.683 121.223 0.073 0.000 2.083 96 L HA -0.229 4.112 4.340 0.002 0.000 0.209 96 L C 2.041 178.928 176.870 0.030 0.000 1.083 96 L CA 1.981 56.859 54.840 0.062 0.000 0.752 96 L CB -1.354 40.765 42.059 0.100 0.000 0.899 96 L HN 0.209 nan 8.230 nan 0.000 0.433 97 N N -2.109 116.595 118.700 0.007 0.000 2.270 97 N HA -0.120 4.621 4.740 0.002 0.000 0.181 97 N C 1.389 176.866 175.510 -0.055 0.000 1.016 97 N CA 1.337 54.379 53.050 -0.013 0.000 0.870 97 N CB 0.040 38.521 38.487 -0.009 0.000 0.979 97 N HN 0.331 nan 8.380 nan 0.000 0.431 98 T N 0.910 115.417 114.554 -0.079 0.000 2.739 98 T HA 0.094 4.445 4.350 0.002 0.000 0.249 98 T C 1.766 176.334 174.700 -0.219 0.000 1.050 98 T CA 0.498 62.526 62.100 -0.119 0.000 1.165 98 T CB 0.093 68.919 68.868 -0.070 0.000 0.872 98 T HN 0.053 nan 8.240 nan 0.000 0.411 99 I N -1.014 119.373 120.570 -0.305 0.000 2.703 99 I HA 0.094 4.265 4.170 0.002 0.000 0.259 99 I C 0.770 176.550 176.117 -0.561 0.000 1.151 99 I CA 0.710 61.674 61.300 -0.559 0.000 1.470 99 I CB -0.822 36.770 38.000 -0.680 0.000 1.112 99 I HN 0.371 nan 8.210 nan 0.000 0.437 100 W N 2.234 123.413 121.300 -0.200 0.000 2.616 100 W HA 0.274 4.935 4.660 0.002 0.000 0.419 100 W C -1.245 175.280 176.519 0.011 0.000 0.835 100 W CA -0.949 56.407 57.345 0.019 0.000 2.483 100 W CB -0.296 29.140 29.460 -0.039 0.000 1.289 100 W HN 0.023 nan 8.180 nan 0.000 0.755 101 P HA 0.041 nan 4.420 nan 0.000 0.220 101 P C 0.516 177.873 177.300 0.094 0.000 1.154 101 P CA 1.410 64.558 63.100 0.081 0.000 0.830 101 P CB 0.926 32.628 31.700 0.004 0.000 0.803 102 S N -1.276 114.487 115.700 0.106 0.000 2.724 102 S HA 0.219 4.690 4.470 0.002 0.000 0.278 102 S C 0.726 175.432 174.600 0.176 0.000 1.190 102 S CA -0.603 57.662 58.200 0.108 0.000 0.860 102 S CB 0.630 63.856 63.200 0.043 0.000 1.206 102 S HN 0.039 nan 8.310 nan 0.000 0.507 103 E N 0.774 121.059 120.200 0.141 0.000 2.435 103 E HA -0.062 4.289 4.350 0.002 0.000 0.195 103 E C 0.280 176.952 176.600 0.120 0.000 1.029 103 E CA 0.793 57.307 56.400 0.190 0.000 0.865 103 E CB -0.577 29.190 29.700 0.112 0.000 0.833 103 E HN 0.579 nan 8.360 nan 0.000 0.510 104 D N 1.987 122.400 120.400 0.022 0.000 2.104 104 D HA -0.109 4.532 4.640 0.002 0.000 0.194 104 D C -0.667 175.531 176.300 -0.170 0.000 0.994 104 D CA 1.508 55.471 54.000 -0.062 0.000 0.830 104 D CB -1.262 39.490 40.800 -0.081 0.000 0.959 104 D HN 0.321 nan 8.370 nan 0.000 0.452 105 P HA -0.118 nan 4.420 nan 0.000 0.216 105 P C 1.245 178.156 177.300 -0.647 0.000 1.153 105 P CA 1.057 63.793 63.100 -0.608 0.000 0.848 105 P CB -0.284 30.966 31.700 -0.751 0.000 0.787 106 W N 0.304 121.504 121.300 -0.166 0.000 2.363 106 W HA -0.038 4.623 4.660 0.002 0.000 0.296 106 W C 2.507 179.016 176.519 -0.017 0.000 1.212 106 W CA 0.914 58.236 57.345 -0.039 0.000 1.260 106 W CB -0.725 28.673 29.460 -0.104 0.000 1.131 106 W HN -0.089 nan 8.180 nan 0.000 0.530 107 K N 0.399 120.867 120.400 0.113 0.000 2.097 107 K HA -0.101 4.220 4.320 0.002 0.000 0.205 107 K C 2.215 178.802 176.600 -0.020 0.000 1.050 107 K CA 1.445 57.765 56.287 0.055 0.000 0.938 107 K CB -0.340 32.173 32.500 0.022 0.000 0.718 107 K HN 0.063 nan 8.250 nan 0.000 0.442 108 A N 0.055 122.790 122.820 -0.141 0.000 1.969 108 A HA -0.099 4.222 4.320 0.002 0.000 0.218 108 A C 1.788 179.265 177.584 -0.178 0.000 1.169 108 A CA 1.050 52.956 52.037 -0.217 0.000 0.635 108 A CB -0.579 18.198 19.000 -0.371 0.000 0.810 108 A HN 0.277 nan 8.150 nan 0.000 0.445 109 F N -0.332 119.552 119.950 -0.110 0.000 2.186 109 F HA -0.051 4.477 4.527 0.002 0.000 0.299 109 F C 2.444 178.232 175.800 -0.021 0.000 1.090 109 F CA 1.134 59.081 58.000 -0.088 0.000 1.307 109 F CB -0.560 38.366 39.000 -0.124 0.000 1.019 109 F HN 0.128 nan 8.300 nan 0.000 0.489 110 M N -0.521 119.194 119.600 0.191 0.000 2.099 110 M HA -0.188 4.294 4.480 0.002 0.000 0.262 110 M C 2.042 178.359 176.300 0.029 0.000 1.067 110 M CA 1.657 57.014 55.300 0.095 0.000 1.124 110 M CB -0.614 32.028 32.600 0.070 0.000 1.353 110 M HN 0.063 nan 8.290 nan 0.000 0.410 111 E N 0.144 120.351 120.200 0.013 0.000 2.160 111 E HA -0.258 4.094 4.350 0.002 0.000 0.195 111 E C 2.022 178.624 176.600 0.003 0.000 0.991 111 E CA 1.037 57.431 56.400 -0.009 0.000 0.810 111 E CB -0.217 29.466 29.700 -0.029 0.000 0.742 111 E HN 0.513 nan 8.360 nan 0.000 0.466 112 Q N 0.797 120.611 119.800 0.023 0.000 2.030 112 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 112 Q C 2.245 178.277 176.000 0.052 0.000 0.986 112 Q CA 1.917 57.741 55.803 0.036 0.000 0.843 112 Q CB 0.088 28.874 28.738 0.079 0.000 0.904 112 Q HN 0.195 nan 8.270 nan 0.000 0.420 113 V N 1.071 121.027 119.914 0.070 0.000 2.548 113 V HA -0.190 3.931 4.120 0.002 0.000 0.249 113 V C 1.975 178.108 176.094 0.065 0.000 1.055 113 V CA 1.858 64.211 62.300 0.088 0.000 1.065 113 V CB -0.608 31.275 31.823 0.101 0.000 0.681 113 V HN 0.365 nan 8.190 nan 0.000 0.462 114 E N 0.799 121.015 120.200 0.026 0.000 2.110 114 E HA -0.204 4.147 4.350 0.002 0.000 0.193 114 E C 2.368 178.978 176.600 0.018 0.000 0.988 114 E CA 1.362 57.767 56.400 0.008 0.000 0.804 114 E CB -0.302 29.388 29.700 -0.017 0.000 0.745 114 E HN 0.622 nan 8.360 nan 0.000 0.458 115 A N 1.172 124.004 122.820 0.020 0.000 1.873 115 A HA -0.145 4.176 4.320 0.002 0.000 0.215 115 A C 2.195 179.799 177.584 0.034 0.000 1.186 115 A CA 1.014 53.062 52.037 0.019 0.000 0.616 115 A CB -0.608 18.398 19.000 0.011 0.000 0.823 115 A HN 0.121 nan 8.150 nan 0.000 0.442 116 L N -2.053 119.207 121.223 0.061 0.000 2.093 116 L HA -0.131 4.210 4.340 0.002 0.000 0.208 116 L C 2.578 179.489 176.870 0.067 0.000 1.085 116 L CA 1.299 56.196 54.840 0.096 0.000 0.755 116 L CB -0.277 41.904 42.059 0.203 0.000 0.904 116 L HN 0.327 nan 8.230 nan 0.000 0.435 117 M N -0.968 118.666 119.600 0.056 0.000 2.510 117 M HA 0.002 4.483 4.480 0.002 0.000 0.256 117 M C 0.244 176.544 176.300 -0.000 0.000 1.132 117 M CA 0.426 55.731 55.300 0.009 0.000 1.105 117 M CB -0.290 32.322 32.600 0.020 0.000 1.375 117 M HN 0.064 nan 8.290 nan 0.000 0.477 118 D N 1.126 121.532 120.400 0.010 0.000 2.699 118 D HA -0.185 4.456 4.640 0.002 0.000 0.239 118 D C -0.617 175.686 176.300 0.004 0.000 1.136 118 D CA 0.722 54.725 54.000 0.006 0.000 0.668 118 D CB -0.382 40.420 40.800 0.003 0.000 1.060 118 D HN 0.512 nan 8.370 nan 0.000 0.429 119 Q N -0.541 119.263 119.800 0.007 0.000 2.501 119 Q HA 0.578 4.919 4.340 0.002 0.000 0.288 119 Q C -0.559 175.448 176.000 0.013 0.000 1.051 119 Q CA -1.000 54.811 55.803 0.013 0.000 0.788 119 Q CB 2.037 30.783 28.738 0.013 0.000 1.469 119 Q HN -0.006 nan 8.270 nan 0.000 0.416 120 K N 0.817 121.234 120.400 0.028 0.000 2.385 120 K HA 0.560 4.881 4.320 0.002 0.000 0.248 120 K C -0.882 175.718 176.600 0.002 0.000 0.955 120 K CA -0.657 55.627 56.287 -0.005 0.000 0.816 120 K CB 2.007 34.499 32.500 -0.013 0.000 1.250 120 K HN 0.429 nan 8.250 nan 0.000 0.434 121 I N 2.097 122.565 120.570 -0.169 0.000 2.474 121 I HA 0.137 4.308 4.170 0.002 0.000 0.287 121 I C 0.516 176.346 176.117 -0.479 0.000 1.048 121 I CA -0.440 60.559 61.300 -0.501 0.000 1.383 121 I CB 1.321 38.909 38.000 -0.688 0.000 1.412 121 I HN 0.650 nan 8.210 nan 0.000 0.531 122 A N 4.934 127.318 122.820 -0.727 0.000 2.548 122 A HA -0.037 4.285 4.320 0.002 0.000 0.247 122 A C 1.237 178.595 177.584 -0.376 0.000 1.067 122 A CA -0.149 51.672 52.037 -0.361 0.000 0.757 122 A CB -0.073 18.776 19.000 -0.252 0.000 0.996 122 A HN 0.871 nan 8.150 nan 0.000 0.504 123 D N 1.335 121.654 120.400 -0.135 0.000 2.170 123 D HA -0.288 4.353 4.640 0.002 0.000 0.193 123 D C 1.553 177.815 176.300 -0.064 0.000 1.004 123 D CA 2.619 56.572 54.000 -0.078 0.000 0.860 123 D CB -0.197 40.605 40.800 0.004 0.000 0.931 123 D HN 0.959 nan 8.370 nan 0.000 0.448 124 Y N 0.357 120.636 120.300 -0.035 0.000 2.145 124 Y HA -0.057 4.494 4.550 0.002 0.000 0.286 124 Y C 2.270 178.166 175.900 -0.006 0.000 1.145 124 Y CA 1.358 59.449 58.100 -0.015 0.000 1.148 124 Y CB -0.869 37.587 38.460 -0.006 0.000 0.981 124 Y HN -0.074 nan 8.280 nan 0.000 0.507 125 A N 0.699 122.901 122.820 -1.030 0.000 1.969 125 A HA -0.127 4.194 4.320 0.002 0.000 0.218 125 A C 2.306 179.826 177.584 -0.107 0.000 1.169 125 A CA 1.691 53.352 52.037 -0.628 0.000 0.635 125 A CB -0.708 17.775 19.000 -0.861 0.000 0.810 125 A HN 0.558 nan 8.150 nan 0.000 0.445 126 K N -0.104 120.198 120.400 -0.164 0.000 2.031 126 K HA -0.101 4.221 4.320 0.002 0.000 0.205 126 K C 1.779 178.406 176.600 0.045 0.000 1.049 126 K CA 1.600 57.880 56.287 -0.012 0.000 0.939 126 K CB -0.227 32.215 32.500 -0.097 0.000 0.717 126 K HN 0.644 nan 8.250 nan 0.000 0.438 127 N N 0.309 119.015 118.700 0.010 0.000 2.120 127 N HA -0.180 4.561 4.740 0.002 0.000 0.188 127 N C 1.689 177.225 175.510 0.043 0.000 1.024 127 N CA 1.177 54.247 53.050 0.034 0.000 0.852 127 N CB -0.008 38.501 38.487 0.037 0.000 1.003 127 N HN 0.133 nan 8.380 nan 0.000 0.424 128 K N 1.242 121.667 120.400 0.042 0.000 2.057 128 K HA -0.082 4.239 4.320 0.002 0.000 0.207 128 K C 2.090 178.705 176.600 0.024 0.000 1.049 128 K CA 1.209 57.513 56.287 0.027 0.000 0.931 128 K CB -0.119 32.395 32.500 0.023 0.000 0.714 128 K HN 0.125 nan 8.250 nan 0.000 0.440 129 A N 1.498 124.357 122.820 0.065 0.000 1.892 129 A HA -0.181 4.140 4.320 0.002 0.000 0.218 129 A C 2.161 179.841 177.584 0.161 0.000 1.188 129 A CA 1.686 53.826 52.037 0.172 0.000 0.631 129 A CB -0.819 18.367 19.000 0.311 0.000 0.822 129 A HN 0.366 nan 8.150 nan 0.000 0.447 130 L N -0.964 120.322 121.223 0.105 0.000 2.083 130 L HA -0.216 4.125 4.340 0.002 0.000 0.209 130 L C 3.092 179.973 176.870 0.017 0.000 1.083 130 L CA 0.996 55.868 54.840 0.054 0.000 0.752 130 L CB -0.519 41.578 42.059 0.064 0.000 0.899 130 L HN 0.479 nan 8.230 nan 0.000 0.433 131 A N -0.352 122.482 122.820 0.024 0.000 1.873 131 A HA -0.180 4.141 4.320 0.002 0.000 0.215 131 A C 2.203 179.788 177.584 0.001 0.000 1.186 131 A CA 1.354 53.397 52.037 0.010 0.000 0.616 131 A CB -0.348 18.658 19.000 0.010 0.000 0.823 131 A HN 0.330 nan 8.150 nan 0.000 0.442 132 E N 0.179 120.384 120.200 0.009 0.000 2.085 132 E HA -0.189 4.162 4.350 0.002 0.000 0.194 132 E C 2.045 178.608 176.600 -0.061 0.000 0.994 132 E CA 1.175 57.583 56.400 0.014 0.000 0.801 132 E CB -0.542 29.153 29.700 -0.009 0.000 0.743 132 E HN 0.670 nan 8.360 nan 0.000 0.453 133 L N 1.077 122.247 121.223 -0.088 0.000 2.083 133 L HA -0.226 4.115 4.340 0.002 0.000 0.209 133 L C 2.615 179.391 176.870 -0.158 0.000 1.083 133 L CA 1.014 55.689 54.840 -0.274 0.000 0.752 133 L CB -0.367 41.329 42.059 -0.606 0.000 0.899 133 L HN 0.060 nan 8.230 nan 0.000 0.433 134 Q N -0.202 119.549 119.800 -0.083 0.000 2.084 134 Q HA -0.122 4.219 4.340 0.002 0.000 0.202 134 Q C 2.348 178.317 176.000 -0.053 0.000 0.978 134 Q CA 1.746 57.532 55.803 -0.028 0.000 0.844 134 Q CB -0.826 27.909 28.738 -0.004 0.000 0.898 134 Q HN 0.552 nan 8.270 nan 0.000 0.426 135 G N 0.855 109.619 108.800 -0.060 0.000 2.418 135 G HA2 -0.182 3.779 3.960 0.002 0.000 0.217 135 G HA3 -0.182 3.779 3.960 0.002 0.000 0.217 135 G C 1.568 176.300 174.900 -0.280 0.000 1.158 135 G CA 0.465 45.547 45.100 -0.030 0.000 0.771 135 G HN 0.263 nan 8.290 nan 0.000 0.545 136 L N -0.123 120.749 121.223 -0.584 0.000 2.141 136 L HA -0.084 4.257 4.340 0.002 0.000 0.209 136 L C 2.937 179.436 176.870 -0.617 0.000 1.094 136 L CA 1.219 55.518 54.840 -0.901 0.000 0.763 136 L CB -0.381 41.084 42.059 -0.989 0.000 0.908 136 L HN 0.318 nan 8.230 nan 0.000 0.437 137 Q N 0.422 120.051 119.800 -0.285 0.000 2.020 137 Q HA -0.229 4.112 4.340 0.002 0.000 0.202 137 Q C 1.993 177.896 176.000 -0.163 0.000 0.982 137 Q CA 1.859 57.586 55.803 -0.126 0.000 0.838 137 Q CB 0.067 28.891 28.738 0.143 0.000 0.899 137 Q HN 0.500 nan 8.270 nan 0.000 0.423 138 N N 0.858 119.487 118.700 -0.117 0.000 2.104 138 N HA -0.172 4.569 4.740 0.002 0.000 0.190 138 N C 1.373 176.816 175.510 -0.110 0.000 1.024 138 N CA 1.687 54.686 53.050 -0.085 0.000 0.853 138 N CB -0.681 37.774 38.487 -0.053 0.000 1.008 138 N HN 0.395 nan 8.380 nan 0.000 0.424 139 N N 0.173 118.773 118.700 -0.167 0.000 2.120 139 N HA -0.098 4.643 4.740 0.002 0.000 0.188 139 N C 1.674 177.104 175.510 -0.134 0.000 1.024 139 N CA 1.063 54.022 53.050 -0.151 0.000 0.852 139 N CB 0.039 38.394 38.487 -0.220 0.000 1.003 139 N HN 0.005 nan 8.380 nan 0.000 0.424 140 V N 1.637 121.410 119.914 -0.235 0.000 2.358 140 V HA -0.184 3.937 4.120 0.002 0.000 0.246 140 V C 1.987 178.028 176.094 -0.087 0.000 1.047 140 V CA 1.631 63.816 62.300 -0.190 0.000 1.035 140 V CB -0.560 30.963 31.823 -0.500 0.000 0.658 140 V HN 0.278 nan 8.190 nan 0.000 0.452 141 E N 0.206 120.342 120.200 -0.106 0.000 2.051 141 E HA -0.232 4.119 4.350 0.002 0.000 0.192 141 E C 2.030 178.593 176.600 -0.061 0.000 0.991 141 E CA 1.510 57.872 56.400 -0.063 0.000 0.799 141 E CB -0.259 29.417 29.700 -0.040 0.000 0.748 141 E HN 0.567 nan 8.360 nan 0.000 0.449 142 D N 0.102 120.472 120.400 -0.051 0.000 2.123 142 D HA -0.190 4.451 4.640 0.002 0.000 0.196 142 D C 1.721 177.984 176.300 -0.062 0.000 0.992 142 D CA 0.986 54.956 54.000 -0.051 0.000 0.833 142 D CB -0.371 40.406 40.800 -0.038 0.000 0.954 142 D HN 0.208 nan 8.370 nan 0.000 0.455 143 Y N 1.442 121.653 120.300 -0.147 0.000 2.145 143 Y HA -0.199 4.352 4.550 0.002 0.000 0.286 143 Y C 2.178 177.964 175.900 -0.191 0.000 1.145 143 Y CA 1.096 59.094 58.100 -0.170 0.000 1.148 143 Y CB -0.430 37.932 38.460 -0.162 0.000 0.981 143 Y HN -0.190 nan 8.280 nan 0.000 0.507 144 V N 0.458 120.139 119.914 -0.389 0.000 2.343 144 V HA -0.308 3.813 4.120 0.002 0.000 0.247 144 V C 2.710 178.619 176.094 -0.308 0.000 1.051 144 V CA 2.070 64.095 62.300 -0.458 0.000 1.036 144 V CB -1.313 30.361 31.823 -0.249 0.000 0.654 144 V HN 0.656 nan 8.190 nan 0.000 0.451 145 S N 1.422 117.004 115.700 -0.196 0.000 2.359 145 S HA -0.229 4.242 4.470 0.002 0.000 0.224 145 S C 2.129 176.637 174.600 -0.152 0.000 1.035 145 S CA 1.663 59.787 58.200 -0.128 0.000 1.018 145 S CB -0.691 62.458 63.200 -0.085 0.000 0.876 145 S HN 0.590 nan 8.310 nan 0.000 0.448 146 A N 1.836 124.527 122.820 -0.215 0.000 1.877 146 A HA 0.079 4.401 4.320 0.002 0.000 0.216 146 A C 2.298 179.739 177.584 -0.238 0.000 1.186 146 A CA 1.627 53.535 52.037 -0.215 0.000 0.620 146 A CB -1.003 17.840 19.000 -0.261 0.000 0.822 146 A HN 0.584 nan 8.150 nan 0.000 0.443 147 L N -0.161 120.796 121.223 -0.443 0.000 2.083 147 L HA -0.112 4.229 4.340 0.002 0.000 0.209 147 L C 2.567 179.372 176.870 -0.109 0.000 1.083 147 L CA 2.552 57.166 54.840 -0.377 0.000 0.752 147 L CB -0.765 40.916 42.059 -0.630 0.000 0.899 147 L HN 0.352 nan 8.230 nan 0.000 0.433 148 S N -1.375 114.263 115.700 -0.103 0.000 2.359 148 S HA -0.201 4.270 4.470 0.002 0.000 0.224 148 S C 2.106 176.725 174.600 0.031 0.000 1.035 148 S CA 1.694 59.893 58.200 -0.002 0.000 1.018 148 S CB -0.402 62.791 63.200 -0.011 0.000 0.876 148 S HN 0.670 nan 8.310 nan 0.000 0.448 149 S N 0.885 116.592 115.700 0.011 0.000 2.356 149 S HA -0.110 4.361 4.470 0.002 0.000 0.223 149 S C 1.389 176.029 174.600 0.067 0.000 1.032 149 S CA 1.167 59.383 58.200 0.026 0.000 1.005 149 S CB -0.667 62.538 63.200 0.008 0.000 0.867 149 S HN 0.779 nan 8.310 nan 0.000 0.449 150 W N 2.481 123.728 121.300 -0.088 0.000 2.318 150 W HA -0.177 4.484 4.660 0.002 0.000 0.313 150 W C 2.091 178.608 176.519 -0.004 0.000 1.221 150 W CA 1.612 58.925 57.345 -0.053 0.000 1.266 150 W CB -0.513 28.902 29.460 -0.075 0.000 1.150 150 W HN 0.298 nan 8.180 nan 0.000 0.496 151 Q N 0.605 120.532 119.800 0.210 0.000 2.084 151 Q HA -0.226 4.116 4.340 0.002 0.000 0.202 151 Q C 2.226 178.269 176.000 0.072 0.000 0.978 151 Q CA 1.877 57.788 55.803 0.180 0.000 0.844 151 Q CB -0.644 28.231 28.738 0.228 0.000 0.898 151 Q HN 0.388 nan 8.270 nan 0.000 0.426 152 K N 0.492 120.922 120.400 0.051 0.000 2.057 152 K HA -0.056 4.265 4.320 0.002 0.000 0.207 152 K C 0.271 176.856 176.600 -0.026 0.000 1.049 152 K CA 0.486 56.788 56.287 0.026 0.000 0.931 152 K CB 0.032 32.549 32.500 0.028 0.000 0.714 152 K HN 0.234 nan 8.250 nan 0.000 0.440 153 N N 1.918 120.571 118.700 -0.079 0.000 2.513 153 N HA 0.079 4.820 4.740 0.002 0.000 0.268 153 N C -2.544 172.858 175.510 -0.180 0.000 1.180 153 N CA -1.372 51.602 53.050 -0.128 0.000 0.948 153 N CB 1.041 39.433 38.487 -0.159 0.000 1.083 153 N HN 0.063 nan 8.380 nan 0.000 0.455 154 P HA -0.033 nan 4.420 nan 0.000 0.270 154 P C 0.323 177.518 177.300 -0.175 0.000 1.223 154 P CA -0.267 62.763 63.100 -0.117 0.000 0.785 154 P CB 0.621 32.277 31.700 -0.072 0.000 0.923 155 V N 0.493 120.324 119.914 -0.139 0.000 3.488 155 V HA -0.101 4.020 4.120 0.002 0.000 0.286 155 V C 1.536 177.568 176.094 -0.103 0.000 1.206 155 V CA 1.757 63.971 62.300 -0.143 0.000 1.238 155 V CB -2.174 29.607 31.823 -0.069 0.000 1.004 155 V HN 0.669 nan 8.190 nan 0.000 0.445 156 S N -1.291 114.347 115.700 -0.103 0.000 2.620 156 S HA -0.031 4.440 4.470 0.002 0.000 0.234 156 S C 1.834 176.393 174.600 -0.068 0.000 1.064 156 S CA 0.754 58.915 58.200 -0.065 0.000 0.920 156 S CB -0.196 62.976 63.200 -0.047 0.000 0.826 156 S HN 0.388 nan 8.310 nan 0.000 0.557 157 S N 1.374 117.020 115.700 -0.091 0.000 2.595 157 S HA 0.137 4.608 4.470 0.002 0.000 0.235 157 S C 0.528 175.077 174.600 -0.085 0.000 0.974 157 S CA -0.146 58.011 58.200 -0.072 0.000 0.942 157 S CB -0.556 62.599 63.200 -0.075 0.000 0.766 157 S HN 0.417 nan 8.310 nan 0.000 0.536 158 R N 2.886 123.303 120.500 -0.139 0.000 2.441 158 R HA 0.168 4.509 4.340 0.002 0.000 0.300 158 R C -0.213 176.103 176.300 0.027 0.000 1.284 158 R CA -0.180 55.848 56.100 -0.120 0.000 1.069 158 R CB -0.254 29.884 30.300 -0.271 0.000 1.087 158 R HN 0.541 nan 8.270 nan 0.000 0.519 159 N N 1.037 119.778 118.700 0.068 0.000 2.477 159 N HA 0.329 5.070 4.740 0.002 0.000 0.284 159 N C -2.285 173.299 175.510 0.123 0.000 1.182 159 N CA -1.933 51.173 53.050 0.094 0.000 0.949 159 N CB 1.087 39.639 38.487 0.107 0.000 1.204 159 N HN -0.145 nan 8.380 nan 0.000 0.526 160 P HA -0.243 nan 4.420 nan 0.000 0.217 160 P C 0.850 178.215 177.300 0.108 0.000 1.151 160 P CA 1.477 64.641 63.100 0.107 0.000 0.849 160 P CB -0.091 31.663 31.700 0.091 0.000 0.787 161 H N -0.185 118.910 119.070 0.041 0.000 2.387 161 H HA -0.079 4.478 4.556 0.002 0.000 0.299 161 H C 1.757 177.103 175.328 0.030 0.000 1.090 161 H CA 2.323 58.386 56.048 0.026 0.000 1.332 161 H CB -0.597 29.177 29.762 0.019 0.000 1.386 161 H HN 0.070 nan 8.280 nan 0.000 0.516 162 S N -0.304 115.222 115.700 -0.289 0.000 2.436 162 S HA -0.117 4.354 4.470 0.002 0.000 0.228 162 S C 1.994 176.548 174.600 -0.078 0.000 1.014 162 S CA 0.672 58.712 58.200 -0.267 0.000 0.950 162 S CB -0.152 63.013 63.200 -0.059 0.000 0.784 162 S HN 0.598 nan 8.310 nan 0.000 0.504 163 Q N 1.304 121.128 119.800 0.039 0.000 2.050 163 Q HA -0.023 4.318 4.340 0.002 0.000 0.202 163 Q C 2.420 178.302 176.000 -0.196 0.000 0.980 163 Q CA 1.431 57.226 55.803 -0.014 0.000 0.840 163 Q CB -0.753 28.039 28.738 0.090 0.000 0.898 163 Q HN 0.744 nan 8.270 nan 0.000 0.424 164 G N 1.019 109.738 108.800 -0.136 0.000 2.471 164 G HA2 -0.257 3.704 3.960 0.002 0.000 0.219 164 G HA3 -0.257 3.704 3.960 0.002 0.000 0.219 164 G C 1.368 176.164 174.900 -0.173 0.000 1.125 164 G CA 0.493 45.507 45.100 -0.144 0.000 0.775 164 G HN 0.189 nan 8.290 nan 0.000 0.548 165 R N -0.013 120.363 120.500 -0.207 0.000 2.062 165 R HA 0.124 4.465 4.340 0.002 0.000 0.229 165 R C 2.341 178.492 176.300 -0.248 0.000 1.128 165 R CA 1.093 57.074 56.100 -0.198 0.000 0.960 165 R CB -0.360 29.804 30.300 -0.227 0.000 0.855 165 R HN 0.373 nan 8.270 nan 0.000 0.432 166 I N 0.686 121.025 120.570 -0.386 0.000 2.353 166 I HA -0.211 3.960 4.170 0.002 0.000 0.248 166 I C 2.295 178.034 176.117 -0.630 0.000 1.119 166 I CA 1.001 61.936 61.300 -0.610 0.000 1.417 166 I CB -0.026 37.358 38.000 -1.027 0.000 1.078 166 I HN 0.239 nan 8.210 nan 0.000 0.421 167 R N 0.702 120.855 120.500 -0.578 0.000 2.083 167 R HA -0.219 4.122 4.340 0.002 0.000 0.237 167 R C 2.088 178.343 176.300 -0.074 0.000 1.137 167 R CA 2.030 57.862 56.100 -0.447 0.000 0.951 167 R CB -0.420 29.525 30.300 -0.592 0.000 0.851 167 R HN 0.614 nan 8.270 nan 0.000 0.434 168 E N 0.665 120.815 120.200 -0.082 0.000 2.216 168 E HA -0.112 4.239 4.350 0.002 0.000 0.192 168 E C 2.010 178.621 176.600 0.018 0.000 0.988 168 E CA 0.593 57.001 56.400 0.014 0.000 0.834 168 E CB -0.216 29.481 29.700 -0.005 0.000 0.772 168 E HN 0.301 nan 8.360 nan 0.000 0.479 169 L N 0.077 121.284 121.223 -0.025 0.000 2.056 169 L HA -0.092 4.249 4.340 0.002 0.000 0.207 169 L C 2.501 179.394 176.870 0.038 0.000 1.078 169 L CA 1.211 56.051 54.840 0.001 0.000 0.749 169 L CB -0.399 41.650 42.059 -0.016 0.000 0.901 169 L HN 0.139 nan 8.230 nan 0.000 0.433 170 F N 0.422 120.312 119.950 -0.100 0.000 2.084 170 F HA -0.225 4.303 4.527 0.002 0.000 0.296 170 F C 2.701 178.465 175.800 -0.061 0.000 1.111 170 F CA 1.786 59.676 58.000 -0.183 0.000 1.224 170 F CB -0.191 38.702 39.000 -0.179 0.000 0.991 170 F HN -0.102 nan 8.300 nan 0.000 0.471 171 S N 0.099 115.950 115.700 0.252 0.000 2.383 171 S HA -0.226 4.245 4.470 0.002 0.000 0.229 171 S C 1.925 176.556 174.600 0.051 0.000 1.030 171 S CA 1.210 59.554 58.200 0.240 0.000 1.002 171 S CB -0.337 63.076 63.200 0.354 0.000 0.829 171 S HN 0.453 nan 8.310 nan 0.000 0.467 172 Q N 0.854 120.660 119.800 0.009 0.000 2.016 172 Q HA -0.003 4.338 4.340 0.002 0.000 0.200 172 Q C 2.599 178.570 176.000 -0.048 0.000 0.978 172 Q CA 1.572 57.365 55.803 -0.017 0.000 0.833 172 Q CB -0.840 27.888 28.738 -0.017 0.000 0.895 172 Q HN 0.555 nan 8.270 nan 0.000 0.427 173 A N 1.353 124.098 122.820 -0.124 0.000 1.865 173 A HA -0.223 4.098 4.320 0.002 0.000 0.217 173 A C 2.085 179.650 177.584 -0.032 0.000 1.191 173 A CA 1.790 53.747 52.037 -0.133 0.000 0.623 173 A CB -0.617 18.244 19.000 -0.231 0.000 0.826 173 A HN 0.334 nan 8.150 nan 0.000 0.444 174 E N 0.076 120.137 120.200 -0.231 0.000 2.070 174 E HA -0.192 4.159 4.350 0.002 0.000 0.197 174 E C 2.331 178.949 176.600 0.031 0.000 1.004 174 E CA 1.564 57.885 56.400 -0.133 0.000 0.805 174 E CB -0.386 29.110 29.700 -0.340 0.000 0.744 174 E HN 0.485 nan 8.360 nan 0.000 0.451 175 S N -0.546 115.172 115.700 0.029 0.000 2.368 175 S HA -0.186 4.285 4.470 0.002 0.000 0.225 175 S C 1.976 176.584 174.600 0.015 0.000 1.030 175 S CA 1.255 59.480 58.200 0.042 0.000 0.999 175 S CB -0.426 62.793 63.200 0.032 0.000 0.844 175 S HN 0.410 nan 8.310 nan 0.000 0.459 176 H N 0.117 119.104 119.070 -0.139 0.000 2.387 176 H HA -0.027 4.530 4.556 0.002 0.000 0.299 176 H C 1.706 176.848 175.328 -0.311 0.000 1.090 176 H CA 1.605 57.513 56.048 -0.235 0.000 1.332 176 H CB -0.663 28.911 29.762 -0.313 0.000 1.386 176 H HN 0.492 nan 8.280 nan 0.000 0.516 177 F N 0.728 120.566 119.950 -0.186 0.000 2.146 177 F HA -0.076 4.452 4.527 0.002 0.000 0.298 177 F C 2.861 178.458 175.800 -0.338 0.000 1.096 177 F CA 1.224 58.981 58.000 -0.404 0.000 1.275 177 F CB -0.167 38.294 39.000 -0.898 0.000 1.008 177 F HN 0.065 nan 8.300 nan 0.000 0.480 178 R N -0.188 120.260 120.500 -0.088 0.000 2.115 178 R HA -0.156 4.185 4.340 0.002 0.000 0.230 178 R C 2.076 178.383 176.300 0.013 0.000 1.111 178 R CA 1.162 57.290 56.100 0.048 0.000 0.976 178 R CB -0.543 29.826 30.300 0.115 0.000 0.870 178 R HN 0.344 nan 8.270 nan 0.000 0.445 179 N N -0.001 118.685 118.700 -0.023 0.000 2.216 179 N HA -0.073 4.668 4.740 0.002 0.000 0.183 179 N C 1.153 176.600 175.510 -0.106 0.000 1.017 179 N CA 1.139 54.152 53.050 -0.061 0.000 0.861 179 N CB 0.229 38.658 38.487 -0.097 0.000 0.986 179 N HN 0.063 nan 8.380 nan 0.000 0.428 180 S N 0.675 116.310 115.700 -0.109 0.000 2.425 180 S HA 0.048 4.519 4.470 0.002 0.000 0.225 180 S C 1.981 176.255 174.600 -0.544 0.000 1.024 180 S CA 0.297 58.333 58.200 -0.272 0.000 0.951 180 S CB 0.024 63.117 63.200 -0.179 0.000 0.796 180 S HN 0.263 nan 8.310 nan 0.000 0.498 181 M N 1.230 120.676 119.600 -0.255 0.000 2.103 181 M HA -0.113 4.368 4.480 0.002 0.000 0.255 181 M C -0.927 175.201 176.300 -0.287 0.000 1.074 181 M CA 1.542 56.728 55.300 -0.190 0.000 1.090 181 M CB -2.877 29.750 32.600 0.045 0.000 1.325 181 M HN 0.114 nan 8.290 nan 0.000 0.403 182 P HA -0.082 nan 4.420 nan 0.000 0.218 182 P C 1.495 178.609 177.300 -0.309 0.000 1.146 182 P CA 1.244 64.247 63.100 -0.162 0.000 0.813 182 P CB -0.107 31.530 31.700 -0.106 0.000 0.778 183 S N -1.591 113.751 115.700 -0.598 0.000 2.447 183 S HA -0.046 4.426 4.470 0.002 0.000 0.233 183 S C 0.775 174.849 174.600 -0.877 0.000 1.006 183 S CA 0.889 58.671 58.200 -0.697 0.000 0.957 183 S CB -0.728 61.992 63.200 -0.800 0.000 0.773 183 S HN 0.149 nan 8.310 nan 0.000 0.507 184 F N 0.428 120.103 119.950 -0.458 0.000 2.645 184 F HA 0.556 5.084 4.527 0.002 0.000 0.300 184 F C 1.029 176.631 175.800 -0.330 0.000 1.115 184 F CA -0.956 56.642 58.000 -0.669 0.000 1.355 184 F CB -0.282 38.596 39.000 -0.202 0.000 1.026 184 F HN 0.098 nan 8.300 nan 0.000 0.536 185 A N 0.659 123.381 122.820 -0.162 0.000 2.579 185 A HA 0.399 4.720 4.320 0.002 0.000 0.254 185 A C -0.044 177.554 177.584 0.023 0.000 0.873 185 A CA -0.391 51.647 52.037 0.001 0.000 1.106 185 A CB -0.849 18.156 19.000 0.008 0.000 1.222 185 A HN 0.210 nan 8.150 nan 0.000 0.470 186 I N -0.081 120.529 120.570 0.067 0.000 2.692 186 I HA 0.368 4.539 4.170 0.002 0.000 0.284 186 I C 0.576 176.795 176.117 0.171 0.000 1.159 186 I CA 0.359 61.750 61.300 0.151 0.000 1.423 186 I CB 0.953 39.084 38.000 0.218 0.000 1.380 186 I HN 0.144 nan 8.210 nan 0.000 0.580 187 S N 5.121 120.889 115.700 0.113 0.000 2.626 187 S HA 0.338 4.809 4.470 0.002 0.000 0.303 187 S C 1.219 175.798 174.600 -0.035 0.000 1.256 187 S CA 0.893 59.117 58.200 0.041 0.000 1.069 187 S CB -0.840 62.399 63.200 0.065 0.000 0.807 187 S HN 1.738 nan 8.310 nan 0.000 0.500 188 G N 4.228 112.919 108.800 -0.182 0.000 2.217 188 G HA2 -0.267 3.694 3.960 0.002 0.000 0.246 188 G HA3 -0.267 3.694 3.960 0.002 0.000 0.246 188 G C 0.259 174.742 174.900 -0.696 0.000 0.990 188 G CA 0.519 45.372 45.100 -0.412 0.000 0.627 188 G HN 0.758 nan 8.290 nan 0.000 0.522 189 Y N 0.712 120.971 120.300 -0.068 0.000 2.641 189 Y HA 0.431 4.982 4.550 0.002 0.000 0.248 189 Y C 1.935 177.801 175.900 -0.056 0.000 1.170 189 Y CA 0.315 58.369 58.100 -0.078 0.000 1.201 189 Y CB 0.386 38.818 38.460 -0.046 0.000 1.232 189 Y HN 0.287 nan 8.280 nan 0.000 0.537 190 E N 0.352 120.416 120.200 -0.227 0.000 2.049 190 E HA -0.190 4.161 4.350 0.002 0.000 0.198 190 E C 2.096 178.531 176.600 -0.274 0.000 1.007 190 E CA 2.050 58.129 56.400 -0.536 0.000 0.809 190 E CB -0.407 28.156 29.700 -1.895 0.000 0.749 190 E HN 0.228 nan 8.360 nan 0.000 0.450 191 V N 0.734 120.551 119.914 -0.162 0.000 2.358 191 V HA -0.206 3.915 4.120 0.002 0.000 0.246 191 V C 2.200 178.355 176.094 0.102 0.000 1.047 191 V CA 1.412 63.763 62.300 0.085 0.000 1.035 191 V CB -0.478 31.434 31.823 0.149 0.000 0.658 191 V HN 0.251 nan 8.190 nan 0.000 0.452 192 L N -1.475 119.768 121.223 0.033 0.000 2.141 192 L HA -0.106 4.235 4.340 0.002 0.000 0.209 192 L C 2.111 178.964 176.870 -0.029 0.000 1.094 192 L CA 1.430 56.255 54.840 -0.025 0.000 0.763 192 L CB -0.460 41.532 42.059 -0.111 0.000 0.908 192 L HN 0.279 nan 8.230 nan 0.000 0.437 193 F N -0.924 119.088 119.950 0.103 0.000 2.797 193 F HA 0.006 4.534 4.527 0.002 0.000 0.302 193 F C 1.814 177.705 175.800 0.152 0.000 1.130 193 F CA -0.102 57.979 58.000 0.135 0.000 1.387 193 F CB -0.261 38.844 39.000 0.175 0.000 1.107 193 F HN -0.068 nan 8.300 nan 0.000 0.577 194 L N 0.523 121.914 121.223 0.280 0.000 2.013 194 L HA -0.271 4.070 4.340 0.002 0.000 0.212 194 L C 2.739 179.716 176.870 0.180 0.000 1.073 194 L CA 2.653 57.636 54.840 0.238 0.000 0.753 194 L CB -1.225 40.955 42.059 0.202 0.000 0.890 194 L HN 0.335 nan 8.230 nan 0.000 0.432 195 T N -6.044 108.551 114.554 0.068 0.000 2.904 195 T HA -0.123 4.228 4.350 0.002 0.000 0.267 195 T C 1.765 176.306 174.700 -0.265 0.000 1.059 195 T CA 1.481 63.485 62.100 -0.160 0.000 1.137 195 T CB -0.808 67.917 68.868 -0.239 0.000 0.879 195 T HN 0.310 nan 8.240 nan 0.000 0.467 196 T N 0.779 115.333 114.554 -0.000 0.000 2.737 196 T HA -0.021 4.330 4.350 0.002 0.000 0.265 196 T C 1.466 176.180 174.700 0.023 0.000 1.038 196 T CA 1.353 63.508 62.100 0.091 0.000 1.144 196 T CB -0.609 68.403 68.868 0.239 0.000 0.866 196 T HN 0.524 nan 8.240 nan 0.000 0.434 197 Y N 2.125 122.427 120.300 0.003 0.000 2.181 197 Y HA -0.035 4.516 4.550 0.002 0.000 0.288 197 Y C 2.521 178.429 175.900 0.014 0.000 1.146 197 Y CA 0.978 59.093 58.100 0.026 0.000 1.164 197 Y CB -0.729 37.823 38.460 0.152 0.000 0.982 197 Y HN 0.176 nan 8.280 nan 0.000 0.515 198 A N 0.279 123.266 122.820 0.278 0.000 1.883 198 A HA -0.243 4.078 4.320 0.002 0.000 0.217 198 A C 2.102 179.747 177.584 0.101 0.000 1.186 198 A CA 1.972 54.129 52.037 0.200 0.000 0.624 198 A CB -0.695 18.368 19.000 0.106 0.000 0.822 198 A HN 0.571 nan 8.150 nan 0.000 0.444 199 Q N -0.665 119.128 119.800 -0.011 0.000 2.119 199 Q HA -0.066 4.275 4.340 0.002 0.000 0.201 199 Q C 2.399 178.565 176.000 0.276 0.000 0.972 199 Q CA 1.529 57.363 55.803 0.052 0.000 0.847 199 Q CB -0.662 27.920 28.738 -0.261 0.000 0.903 199 Q HN 0.674 nan 8.270 nan 0.000 0.433 200 A N 1.099 124.017 122.820 0.162 0.000 1.897 200 A HA 0.011 4.332 4.320 0.002 0.000 0.215 200 A C 2.357 179.982 177.584 0.069 0.000 1.181 200 A CA 1.622 53.772 52.037 0.189 0.000 0.620 200 A CB -0.629 18.268 19.000 -0.172 0.000 0.821 200 A HN 0.341 nan 8.150 nan 0.000 0.443 201 A N 0.467 123.132 122.820 -0.258 0.000 1.883 201 A HA -0.258 4.064 4.320 0.002 0.000 0.217 201 A C 2.086 179.531 177.584 -0.231 0.000 1.186 201 A CA 1.856 53.537 52.037 -0.594 0.000 0.624 201 A CB -0.885 17.612 19.000 -0.837 0.000 0.822 201 A HN 0.704 nan 8.150 nan 0.000 0.444 202 N N -0.779 117.970 118.700 0.082 0.000 2.043 202 N HA -0.178 4.564 4.740 0.002 0.000 0.193 202 N C 1.714 177.352 175.510 0.214 0.000 1.037 202 N CA 2.229 55.440 53.050 0.268 0.000 0.851 202 N CB -0.249 38.517 38.487 0.464 0.000 1.027 202 N HN 0.436 nan 8.380 nan 0.000 0.422 203 T N -0.076 114.677 114.554 0.332 0.000 2.652 203 T HA -0.202 4.149 4.350 0.002 0.000 0.267 203 T C 1.679 176.292 174.700 -0.145 0.000 1.039 203 T CA 1.471 63.791 62.100 0.367 0.000 1.153 203 T CB -0.806 68.514 68.868 0.753 0.000 0.863 203 T HN 0.467 nan 8.240 nan 0.000 0.428 204 H N 0.556 119.235 119.070 -0.653 0.000 2.319 204 H HA -0.066 4.491 4.556 0.002 0.000 0.297 204 H C 2.241 177.356 175.328 -0.355 0.000 1.097 204 H CA 1.269 56.818 56.048 -0.832 0.000 1.285 204 H CB -0.186 29.273 29.762 -0.505 0.000 1.368 204 H HN 0.246 nan 8.280 nan 0.000 0.495 205 L N -0.514 120.593 121.223 -0.194 0.000 2.093 205 L HA -0.161 4.180 4.340 0.002 0.000 0.208 205 L C 2.435 179.239 176.870 -0.109 0.000 1.085 205 L CA 0.681 55.411 54.840 -0.183 0.000 0.755 205 L CB -0.379 41.566 42.059 -0.189 0.000 0.904 205 L HN 0.269 nan 8.230 nan 0.000 0.435 206 F N -0.028 119.740 119.950 -0.303 0.000 2.171 206 F HA -0.235 4.293 4.527 0.002 0.000 0.300 206 F C 2.265 177.942 175.800 -0.205 0.000 1.090 206 F CA 1.209 58.899 58.000 -0.517 0.000 1.293 206 F CB -0.117 38.552 39.000 -0.552 0.000 1.013 206 F HN -0.096 nan 8.300 nan 0.000 0.486 207 L N 0.085 121.283 121.223 -0.042 0.000 1.994 207 L HA -0.227 4.114 4.340 0.002 0.000 0.208 207 L C 2.344 179.186 176.870 -0.046 0.000 1.071 207 L CA 1.849 56.654 54.840 -0.057 0.000 0.745 207 L CB -1.200 40.703 42.059 -0.261 0.000 0.892 207 L HN 0.235 nan 8.230 nan 0.000 0.431 208 L N 0.241 121.386 121.223 -0.130 0.000 2.043 208 L HA -0.290 4.051 4.340 0.002 0.000 0.212 208 L C 2.606 179.454 176.870 -0.037 0.000 1.075 208 L CA 2.087 56.887 54.840 -0.066 0.000 0.752 208 L CB -0.461 41.502 42.059 -0.159 0.000 0.891 208 L HN 0.368 nan 8.230 nan 0.000 0.432 209 K N -1.016 119.300 120.400 -0.140 0.000 2.280 209 K HA -0.171 4.150 4.320 0.002 0.000 0.202 209 K C 1.341 177.803 176.600 -0.230 0.000 1.047 209 K CA 1.597 57.779 56.287 -0.175 0.000 0.942 209 K CB -0.487 31.864 32.500 -0.248 0.000 0.739 209 K HN 0.149 nan 8.250 nan 0.000 0.457 210 D N 1.266 121.573 120.400 -0.155 0.000 2.178 210 D HA -0.095 4.547 4.640 0.002 0.000 0.201 210 D C 1.841 177.946 176.300 -0.326 0.000 0.980 210 D CA 1.534 55.478 54.000 -0.092 0.000 0.842 210 D CB -0.290 40.709 40.800 0.332 0.000 0.948 210 D HN 0.429 nan 8.370 nan 0.000 0.472 211 A N 0.478 123.074 122.820 -0.375 0.000 2.019 211 A HA -0.173 4.148 4.320 0.002 0.000 0.219 211 A C 1.954 179.352 177.584 -0.310 0.000 1.164 211 A CA 1.129 52.856 52.037 -0.517 0.000 0.644 211 A CB -0.177 18.483 19.000 -0.566 0.000 0.805 211 A HN 0.080 nan 8.150 nan 0.000 0.449 212 Q N -0.706 118.956 119.800 -0.231 0.000 2.354 212 Q HA 0.176 4.517 4.340 0.002 0.000 0.203 212 Q C 1.866 177.719 176.000 -0.245 0.000 0.933 212 Q CA 0.663 56.366 55.803 -0.167 0.000 0.901 212 Q CB -0.133 28.557 28.738 -0.081 0.000 1.007 212 Q HN 0.778 nan 8.270 nan 0.000 0.495 213 I N -1.141 119.171 120.570 -0.430 0.000 2.385 213 I HA -0.166 4.005 4.170 0.002 0.000 0.244 213 I C 1.085 176.800 176.117 -0.670 0.000 1.089 213 I CA 0.965 61.906 61.300 -0.599 0.000 1.410 213 I CB 0.036 37.458 38.000 -0.964 0.000 1.117 213 I HN 0.054 nan 8.210 nan 0.000 0.429 214 Y N 0.616 120.501 120.300 -0.692 0.000 2.458 214 Y HA 0.282 4.833 4.550 0.002 0.000 0.256 214 Y C 2.274 177.505 175.900 -1.115 0.000 1.159 214 Y CA 0.064 57.519 58.100 -1.074 0.000 1.261 214 Y CB -0.707 36.575 38.460 -1.962 0.000 1.119 214 Y HN 0.034 nan 8.280 nan 0.000 0.524 215 G N 0.867 109.333 108.800 -0.558 0.000 2.649 215 G HA2 -0.339 3.623 3.960 0.002 0.000 0.220 215 G HA3 -0.339 3.623 3.960 0.002 0.000 0.220 215 G C 1.565 176.489 174.900 0.040 0.000 1.189 215 G CA 1.625 46.646 45.100 -0.132 0.000 0.777 215 G HN 0.418 nan 8.290 nan 0.000 0.602 216 E N 0.306 120.504 120.200 -0.003 0.000 2.106 216 E HA -0.091 4.260 4.350 0.002 0.000 0.192 216 E C 2.506 179.166 176.600 0.099 0.000 0.984 216 E CA 0.896 57.336 56.400 0.066 0.000 0.806 216 E CB -0.136 29.592 29.700 0.047 0.000 0.750 216 E HN 0.624 nan 8.360 nan 0.000 0.458 217 E N 0.054 120.298 120.200 0.075 0.000 2.085 217 E HA -0.185 4.166 4.350 0.002 0.000 0.194 217 E C 1.678 178.486 176.600 0.347 0.000 0.994 217 E CA 0.901 57.465 56.400 0.273 0.000 0.801 217 E CB -0.103 29.845 29.700 0.414 0.000 0.743 217 E HN 0.394 nan 8.360 nan 0.000 0.453 218 W N 0.078 121.326 121.300 -0.088 0.000 2.825 218 W HA 0.139 4.800 4.660 0.002 0.000 0.243 218 W C 1.253 177.660 176.519 -0.187 0.000 1.293 218 W CA 1.129 58.265 57.345 -0.349 0.000 1.403 218 W CB -0.565 28.592 29.460 -0.506 0.000 1.134 218 W HN 0.191 nan 8.180 nan 0.000 0.666 219 G N -0.392 108.503 108.800 0.158 0.000 2.182 219 G HA2 -0.314 3.647 3.960 0.002 0.000 0.248 219 G HA3 -0.314 3.647 3.960 0.002 0.000 0.248 219 G C -0.347 174.611 174.900 0.097 0.000 1.042 219 G CA -0.444 44.723 45.100 0.111 0.000 0.775 219 G HN 0.135 nan 8.290 nan 0.000 0.501 220 Y N 1.009 121.392 120.300 0.138 0.000 2.304 220 Y HA 0.432 4.983 4.550 0.002 0.000 0.327 220 Y C 1.195 177.150 175.900 0.091 0.000 1.209 220 Y CA -0.856 57.326 58.100 0.136 0.000 1.299 220 Y CB 0.673 39.243 38.460 0.183 0.000 1.249 220 Y HN 0.234 nan 8.280 nan 0.000 0.519 221 E N 2.564 122.943 120.200 0.299 0.000 2.404 221 E HA -0.009 4.342 4.350 0.002 0.000 0.261 221 E C 0.876 177.545 176.600 0.114 0.000 1.074 221 E CA -0.137 56.357 56.400 0.156 0.000 0.917 221 E CB 0.670 30.437 29.700 0.112 0.000 0.965 221 E HN 0.562 nan 8.360 nan 0.000 0.433 222 K N 1.994 122.437 120.400 0.072 0.000 2.113 222 K HA -0.200 4.121 4.320 0.002 0.000 0.208 222 K C 1.693 178.306 176.600 0.020 0.000 1.047 222 K CA 1.506 57.819 56.287 0.043 0.000 0.928 222 K CB -0.034 32.484 32.500 0.029 0.000 0.716 222 K HN 0.402 nan 8.250 nan 0.000 0.446 223 E N 0.880 121.087 120.200 0.012 0.000 2.110 223 E HA -0.156 4.195 4.350 0.002 0.000 0.193 223 E C 1.715 178.272 176.600 -0.071 0.000 0.988 223 E CA 1.256 57.645 56.400 -0.018 0.000 0.804 223 E CB -0.105 29.586 29.700 -0.014 0.000 0.745 223 E HN 0.251 nan 8.360 nan 0.000 0.458 224 D N 0.249 120.600 120.400 -0.082 0.000 2.084 224 D HA -0.113 4.528 4.640 0.002 0.000 0.196 224 D C 2.021 178.151 176.300 -0.283 0.000 0.985 224 D CA 0.901 54.745 54.000 -0.260 0.000 0.826 224 D CB -0.242 40.458 40.800 -0.167 0.000 0.978 224 D HN 0.197 nan 8.370 nan 0.000 0.456 225 I N 1.258 121.795 120.570 -0.056 0.000 2.264 225 I HA -0.250 3.921 4.170 0.002 0.000 0.248 225 I C 2.476 178.651 176.117 0.096 0.000 1.111 225 I CA 1.063 62.408 61.300 0.075 0.000 1.382 225 I CB -0.245 37.785 38.000 0.050 0.000 1.060 225 I HN -0.081 nan 8.210 nan 0.000 0.418 226 A N 0.299 123.139 122.820 0.035 0.000 1.930 226 A HA -0.240 4.082 4.320 0.002 0.000 0.217 226 A C 2.344 179.970 177.584 0.071 0.000 1.175 226 A CA 1.759 53.838 52.037 0.070 0.000 0.627 226 A CB -0.576 18.443 19.000 0.031 0.000 0.815 226 A HN 0.499 nan 8.150 nan 0.000 0.443 227 E N -1.233 118.935 120.200 -0.053 0.000 2.106 227 E HA -0.175 4.176 4.350 0.002 0.000 0.192 227 E C 1.582 178.153 176.600 -0.048 0.000 0.984 227 E CA 1.141 57.476 56.400 -0.109 0.000 0.806 227 E CB -0.216 29.332 29.700 -0.252 0.000 0.750 227 E HN 0.534 nan 8.360 nan 0.000 0.458 228 F N -0.182 119.771 119.950 0.005 0.000 2.134 228 F HA -0.139 4.389 4.527 0.002 0.000 0.299 228 F C 2.221 178.044 175.800 0.038 0.000 1.097 228 F CA 1.089 59.099 58.000 0.016 0.000 1.264 228 F CB -1.016 37.991 39.000 0.011 0.000 1.001 228 F HN 0.177 nan 8.300 nan 0.000 0.479 229 Y N 1.172 121.557 120.300 0.143 0.000 2.114 229 Y HA -0.203 4.348 4.550 0.002 0.000 0.284 229 Y C 2.303 178.226 175.900 0.037 0.000 1.143 229 Y CA 1.763 59.904 58.100 0.067 0.000 1.135 229 Y CB -0.505 37.981 38.460 0.045 0.000 0.980 229 Y HN -0.066 nan 8.280 nan 0.000 0.499 230 K N -0.159 120.241 120.400 0.001 0.000 2.097 230 K HA -0.233 4.088 4.320 0.002 0.000 0.206 230 K C 2.321 178.846 176.600 -0.124 0.000 1.049 230 K CA 1.584 57.813 56.287 -0.096 0.000 0.933 230 K CB -0.242 32.254 32.500 -0.006 0.000 0.717 230 K HN 0.284 nan 8.250 nan 0.000 0.442 231 R N 1.458 121.921 120.500 -0.061 0.000 2.092 231 R HA -0.165 4.176 4.340 0.002 0.000 0.231 231 R C 2.309 178.514 176.300 -0.157 0.000 1.119 231 R CA 1.463 57.522 56.100 -0.068 0.000 0.970 231 R CB -0.025 30.294 30.300 0.031 0.000 0.864 231 R HN 0.214 nan 8.270 nan 0.000 0.440 232 Q N 0.373 120.071 119.800 -0.169 0.000 2.084 232 Q HA -0.154 4.187 4.340 0.002 0.000 0.202 232 Q C 2.158 177.986 176.000 -0.286 0.000 0.978 232 Q CA 1.595 57.258 55.803 -0.234 0.000 0.844 232 Q CB -0.009 28.624 28.738 -0.175 0.000 0.898 232 Q HN 0.429 nan 8.270 nan 0.000 0.426 233 L N 0.559 121.577 121.223 -0.341 0.000 2.017 233 L HA -0.203 4.138 4.340 0.002 0.000 0.208 233 L C 2.709 179.459 176.870 -0.200 0.000 1.073 233 L CA 1.356 56.034 54.840 -0.269 0.000 0.745 233 L CB -0.524 41.356 42.059 -0.298 0.000 0.894 233 L HN 0.181 nan 8.230 nan 0.000 0.432 234 K N 0.755 121.037 120.400 -0.196 0.000 2.026 234 K HA -0.176 4.145 4.320 0.002 0.000 0.208 234 K C 2.140 178.575 176.600 -0.275 0.000 1.048 234 K CA 1.446 57.628 56.287 -0.176 0.000 0.929 234 K CB -0.121 32.296 32.500 -0.139 0.000 0.713 234 K HN 0.252 nan 8.250 nan 0.000 0.439 235 L N 0.421 121.410 121.223 -0.390 0.000 2.141 235 L HA -0.133 4.208 4.340 0.002 0.000 0.209 235 L C 2.366 178.843 176.870 -0.655 0.000 1.094 235 L CA 1.181 55.598 54.840 -0.705 0.000 0.763 235 L CB -0.538 41.014 42.059 -0.844 0.000 0.908 235 L HN 0.236 nan 8.230 nan 0.000 0.437 236 T N -1.045 113.250 114.554 -0.432 0.000 2.788 236 T HA -0.229 4.122 4.350 0.002 0.000 0.268 236 T C 1.890 176.260 174.700 -0.550 0.000 1.044 236 T CA 1.214 63.081 62.100 -0.387 0.000 1.139 236 T CB -0.121 68.568 68.868 -0.297 0.000 0.867 236 T HN 0.317 nan 8.240 nan 0.000 0.454 237 Q N 1.139 120.620 119.800 -0.531 0.000 2.046 237 Q HA -0.136 4.205 4.340 0.002 0.000 0.200 237 Q C 2.063 177.923 176.000 -0.233 0.000 0.975 237 Q CA 1.574 57.077 55.803 -0.501 0.000 0.836 237 Q CB -0.142 28.535 28.738 -0.101 0.000 0.896 237 Q HN 0.623 nan 8.270 nan 0.000 0.428 238 E N -0.465 119.633 120.200 -0.169 0.000 2.031 238 E HA -0.193 4.158 4.350 0.002 0.000 0.193 238 E C 2.052 178.780 176.600 0.214 0.000 0.994 238 E CA 1.323 57.713 56.400 -0.017 0.000 0.800 238 E CB -0.243 29.395 29.700 -0.104 0.000 0.752 238 E HN 0.387 nan 8.360 nan 0.000 0.447 239 Y N 1.128 121.504 120.300 0.126 0.000 2.224 239 Y HA -0.178 4.373 4.550 0.002 0.000 0.289 239 Y C 2.654 178.778 175.900 0.373 0.000 1.146 239 Y CA 1.112 59.400 58.100 0.313 0.000 1.182 239 Y CB -1.161 37.385 38.460 0.143 0.000 0.983 239 Y HN 0.024 nan 8.280 nan 0.000 0.524 240 T N -0.125 114.627 114.554 0.330 0.000 2.674 240 T HA -0.159 4.192 4.350 0.002 0.000 0.265 240 T C 1.469 176.258 174.700 0.147 0.000 1.039 240 T CA 1.683 63.881 62.100 0.163 0.000 1.150 240 T CB -0.398 68.358 68.868 -0.187 0.000 0.864 240 T HN 0.236 nan 8.240 nan 0.000 0.427 241 D N -0.034 120.421 120.400 0.091 0.000 2.123 241 D HA -0.104 4.537 4.640 0.002 0.000 0.196 241 D C 1.849 178.257 176.300 0.179 0.000 0.992 241 D CA 1.222 55.289 54.000 0.111 0.000 0.833 241 D CB -0.504 40.344 40.800 0.081 0.000 0.954 241 D HN 0.536 nan 8.370 nan 0.000 0.455 242 H N -0.189 118.999 119.070 0.197 0.000 2.319 242 H HA -0.112 4.445 4.556 0.002 0.000 0.299 242 H C 2.072 177.552 175.328 0.252 0.000 1.092 242 H CA 2.127 58.316 56.048 0.235 0.000 1.302 242 H CB -0.255 29.655 29.762 0.246 0.000 1.373 242 H HN 0.093 nan 8.280 nan 0.000 0.497 243 C N -0.531 118.982 119.300 0.355 0.000 2.429 243 C HA -0.092 4.369 4.460 0.002 0.000 0.277 243 C C 2.939 178.060 174.990 0.218 0.000 1.262 243 C CA 0.903 60.093 59.018 0.287 0.000 1.733 243 C CB -0.767 27.152 27.740 0.299 0.000 2.010 243 C HN 0.497 nan 8.230 nan 0.000 0.483 244 V N 1.367 121.393 119.914 0.187 0.000 2.358 244 V HA -0.230 3.891 4.120 0.002 0.000 0.246 244 V C 2.533 178.704 176.094 0.129 0.000 1.047 244 V CA 2.128 64.550 62.300 0.202 0.000 1.035 244 V CB -0.750 31.211 31.823 0.230 0.000 0.658 244 V HN 0.583 nan 8.190 nan 0.000 0.452 245 K N -0.784 119.593 120.400 -0.038 0.000 2.020 245 K HA -0.256 4.065 4.320 0.002 0.000 0.212 245 K C 1.984 178.326 176.600 -0.430 0.000 1.050 245 K CA 2.474 58.581 56.287 -0.301 0.000 0.929 245 K CB -0.332 31.858 32.500 -0.517 0.000 0.714 245 K HN 0.555 nan 8.250 nan 0.000 0.443 246 W N -0.262 120.988 121.300 -0.083 0.000 2.518 246 W HA -0.083 4.578 4.660 0.002 0.000 0.273 246 W C 2.089 178.635 176.519 0.044 0.000 1.247 246 W CA 0.330 57.633 57.345 -0.071 0.000 1.288 246 W CB -0.330 29.020 29.460 -0.182 0.000 1.107 246 W HN 0.250 nan 8.180 nan 0.000 0.586 247 Y N 2.039 122.442 120.300 0.173 0.000 2.114 247 Y HA -0.283 4.268 4.550 0.002 0.000 0.284 247 Y C 2.117 178.133 175.900 0.194 0.000 1.143 247 Y CA 2.015 60.226 58.100 0.185 0.000 1.135 247 Y CB -0.922 37.589 38.460 0.085 0.000 0.980 247 Y HN -0.170 nan 8.280 nan 0.000 0.499 248 N N 0.130 118.758 118.700 -0.120 0.000 2.166 248 N HA -0.164 4.577 4.740 0.002 0.000 0.186 248 N C 2.015 177.428 175.510 -0.161 0.000 1.019 248 N CA 1.593 54.527 53.050 -0.193 0.000 0.856 248 N CB -0.522 37.941 38.487 -0.040 0.000 0.993 248 N HN 0.344 nan 8.380 nan 0.000 0.426 249 V N 0.965 120.815 119.914 -0.106 0.000 2.287 249 V HA -0.189 3.932 4.120 0.002 0.000 0.248 249 V C 2.462 178.517 176.094 -0.065 0.000 1.053 249 V CA 2.145 64.409 62.300 -0.060 0.000 1.027 249 V CB -1.203 30.646 31.823 0.044 0.000 0.646 249 V HN 0.345 nan 8.190 nan 0.000 0.447 250 G N -0.533 108.233 108.800 -0.056 0.000 2.418 250 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 250 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 250 G C 1.570 176.097 174.900 -0.621 0.000 1.158 250 G CA 1.050 45.988 45.100 -0.270 0.000 0.771 250 G HN 0.406 nan 8.290 nan 0.000 0.545 251 L N 1.124 122.031 121.223 -0.526 0.000 1.989 251 L HA -0.085 4.256 4.340 0.002 0.000 0.211 251 L C 2.204 179.006 176.870 -0.114 0.000 1.071 251 L CA 2.250 56.822 54.840 -0.445 0.000 0.749 251 L CB -0.527 41.281 42.059 -0.418 0.000 0.890 251 L HN 0.116 nan 8.230 nan 0.000 0.431 252 D N -0.626 119.727 120.400 -0.078 0.000 2.178 252 D HA -0.224 4.417 4.640 0.002 0.000 0.201 252 D C 2.117 178.390 176.300 -0.045 0.000 0.980 252 D CA 1.146 55.140 54.000 -0.010 0.000 0.842 252 D CB -0.086 40.692 40.800 -0.037 0.000 0.948 252 D HN 0.390 nan 8.370 nan 0.000 0.472 253 K N 0.390 120.732 120.400 -0.098 0.000 2.280 253 K HA -0.031 4.290 4.320 0.002 0.000 0.202 253 K C 1.732 178.280 176.600 -0.086 0.000 1.047 253 K CA 0.531 56.760 56.287 -0.096 0.000 0.942 253 K CB 0.081 32.514 32.500 -0.111 0.000 0.739 253 K HN 0.141 nan 8.250 nan 0.000 0.457 254 L N 0.940 122.122 121.223 -0.068 0.000 2.585 254 L HA 0.134 4.475 4.340 0.002 0.000 0.226 254 L C 0.159 177.105 176.870 0.127 0.000 1.113 254 L CA -0.244 54.609 54.840 0.022 0.000 0.876 254 L CB 0.082 42.134 42.059 -0.011 0.000 1.072 254 L HN 0.010 nan 8.230 nan 0.000 0.468 255 R N 1.081 121.607 120.500 0.042 0.000 2.449 255 R HA 0.335 4.676 4.340 0.002 0.000 0.296 255 R C 0.340 176.392 176.300 -0.414 0.000 1.047 255 R CA 0.242 56.160 56.100 -0.304 0.000 1.018 255 R CB 0.362 30.446 30.300 -0.361 0.000 0.962 255 R HN 0.110 nan 8.270 nan 0.000 0.428 256 G N -0.100 108.309 108.800 -0.653 0.000 3.135 256 G HA2 0.261 4.222 3.960 0.002 0.000 0.278 256 G HA3 0.261 4.222 3.960 0.002 0.000 0.278 256 G C 0.161 174.758 174.900 -0.505 0.000 1.302 256 G CA -0.251 44.623 45.100 -0.376 0.000 0.880 256 G HN 0.487 nan 8.290 nan 0.000 0.574 257 S N -1.621 113.983 115.700 -0.159 0.000 2.554 257 S HA 0.226 4.697 4.470 0.002 0.000 0.227 257 S C 1.272 175.933 174.600 0.102 0.000 1.050 257 S CA 0.919 59.081 58.200 -0.063 0.000 0.927 257 S CB -0.273 62.886 63.200 -0.068 0.000 0.859 257 S HN 1.250 nan 8.310 nan 0.000 0.494 258 S N 0.567 116.340 115.700 0.121 0.000 2.645 258 S HA 0.409 4.880 4.470 0.002 0.000 0.266 258 S C 0.690 175.428 174.600 0.231 0.000 1.258 258 S CA -0.468 57.824 58.200 0.153 0.000 0.990 258 S CB 0.251 63.517 63.200 0.111 0.000 0.967 258 S HN 0.344 nan 8.310 nan 0.000 0.556 259 Y N 1.396 121.747 120.300 0.085 0.000 2.181 259 Y HA -0.051 4.500 4.550 0.002 0.000 0.288 259 Y C 1.980 177.968 175.900 0.147 0.000 1.146 259 Y CA 2.173 60.316 58.100 0.071 0.000 1.164 259 Y CB -0.565 37.898 38.460 0.006 0.000 0.982 259 Y HN 0.786 nan 8.280 nan 0.000 0.515 260 E N -0.140 120.106 120.200 0.075 0.000 2.153 260 E HA -0.145 4.207 4.350 0.002 0.000 0.194 260 E C 2.385 178.997 176.600 0.020 0.000 0.988 260 E CA 1.447 57.852 56.400 0.008 0.000 0.811 260 E CB -0.356 29.404 29.700 0.101 0.000 0.746 260 E HN 0.359 nan 8.360 nan 0.000 0.466 261 S N -0.175 115.591 115.700 0.111 0.000 2.356 261 S HA -0.161 4.310 4.470 0.002 0.000 0.223 261 S C 1.537 176.272 174.600 0.226 0.000 1.032 261 S CA 1.041 59.350 58.200 0.181 0.000 1.005 261 S CB -0.470 62.879 63.200 0.248 0.000 0.867 261 S HN 0.489 nan 8.310 nan 0.000 0.449 262 W N 2.188 123.471 121.300 -0.029 0.000 2.363 262 W HA -0.142 4.519 4.660 0.002 0.000 0.296 262 W C 1.913 178.314 176.519 -0.196 0.000 1.212 262 W CA 0.959 58.088 57.345 -0.360 0.000 1.260 262 W CB -0.372 28.652 29.460 -0.727 0.000 1.131 262 W HN -0.004 nan 8.180 nan 0.000 0.530 263 V N 1.372 121.248 119.914 -0.065 0.000 2.343 263 V HA -0.369 3.752 4.120 0.002 0.000 0.247 263 V C 2.201 178.198 176.094 -0.162 0.000 1.051 263 V CA 2.247 64.465 62.300 -0.137 0.000 1.036 263 V CB -1.059 30.682 31.823 -0.135 0.000 0.654 263 V HN 0.224 nan 8.190 nan 0.000 0.451 264 N N -0.066 118.592 118.700 -0.071 0.000 2.058 264 N HA -0.172 4.569 4.740 0.002 0.000 0.191 264 N C 1.722 177.220 175.510 -0.019 0.000 1.037 264 N CA 1.758 54.796 53.050 -0.021 0.000 0.848 264 N CB -0.631 37.868 38.487 0.021 0.000 1.021 264 N HN 0.523 nan 8.380 nan 0.000 0.422 265 F N 2.095 121.919 119.950 -0.210 0.000 2.065 265 F HA -0.255 4.273 4.527 0.002 0.000 0.298 265 F C 2.191 177.804 175.800 -0.312 0.000 1.112 265 F CA 1.846 59.709 58.000 -0.228 0.000 1.212 265 F CB -0.520 38.367 39.000 -0.188 0.000 0.975 265 F HN 0.030 nan 8.300 nan 0.000 0.476 266 N N 0.074 118.459 118.700 -0.525 0.000 2.270 266 N HA -0.182 4.559 4.740 0.002 0.000 0.181 266 N C 2.070 177.383 175.510 -0.328 0.000 1.016 266 N CA 1.165 53.825 53.050 -0.650 0.000 0.870 266 N CB -0.331 37.400 38.487 -1.259 0.000 0.979 266 N HN 0.363 nan 8.380 nan 0.000 0.431 267 R N -1.135 119.236 120.500 -0.215 0.000 2.075 267 R HA -0.174 4.167 4.340 0.002 0.000 0.232 267 R C 2.029 178.300 176.300 -0.049 0.000 1.126 267 R CA 1.233 57.275 56.100 -0.097 0.000 0.963 267 R CB -0.482 29.788 30.300 -0.050 0.000 0.858 267 R HN 0.415 nan 8.270 nan 0.000 0.435 268 Y N 1.308 121.510 120.300 -0.164 0.000 2.145 268 Y HA -0.227 4.324 4.550 0.002 0.000 0.286 268 Y C 2.535 178.373 175.900 -0.104 0.000 1.145 268 Y CA 2.031 60.057 58.100 -0.123 0.000 1.148 268 Y CB -0.288 38.082 38.460 -0.150 0.000 0.981 268 Y HN -0.036 nan 8.280 nan 0.000 0.507 269 R N 0.738 121.214 120.500 -0.040 0.000 2.083 269 R HA -0.231 4.110 4.340 0.002 0.000 0.237 269 R C 2.578 178.824 176.300 -0.090 0.000 1.137 269 R CA 1.935 58.001 56.100 -0.057 0.000 0.951 269 R CB -0.497 29.674 30.300 -0.214 0.000 0.851 269 R HN 0.379 nan 8.270 nan 0.000 0.434 270 R N 0.625 121.058 120.500 -0.112 0.000 2.066 270 R HA -0.122 4.219 4.340 0.002 0.000 0.232 270 R C 1.954 178.190 176.300 -0.108 0.000 1.131 270 R CA 1.893 57.939 56.100 -0.091 0.000 0.955 270 R CB -0.174 30.078 30.300 -0.081 0.000 0.851 270 R HN 0.412 nan 8.270 nan 0.000 0.432 271 E N -0.114 120.012 120.200 -0.124 0.000 2.110 271 E HA -0.174 4.177 4.350 0.002 0.000 0.193 271 E C 1.978 178.488 176.600 -0.151 0.000 0.988 271 E CA 1.076 57.406 56.400 -0.117 0.000 0.804 271 E CB -0.020 29.623 29.700 -0.095 0.000 0.745 271 E HN 0.296 nan 8.360 nan 0.000 0.458 272 M N 0.291 119.745 119.600 -0.243 0.000 2.394 272 M HA -0.053 4.428 4.480 0.002 0.000 0.264 272 M C 2.101 178.263 176.300 -0.229 0.000 1.073 272 M CA 1.186 56.337 55.300 -0.249 0.000 1.111 272 M CB -0.945 31.473 32.600 -0.303 0.000 1.401 272 M HN 0.013 nan 8.290 nan 0.000 0.448 273 T N 1.288 115.721 114.554 -0.202 0.000 2.770 273 T HA 0.009 4.360 4.350 0.002 0.000 0.263 273 T C 2.035 176.665 174.700 -0.117 0.000 1.039 273 T CA 0.978 62.966 62.100 -0.188 0.000 1.142 273 T CB -0.162 68.634 68.868 -0.120 0.000 0.868 273 T HN 0.313 nan 8.240 nan 0.000 0.435 274 L N 1.210 122.392 121.223 -0.068 0.000 2.093 274 L HA -0.048 4.293 4.340 0.002 0.000 0.208 274 L C 2.860 179.710 176.870 -0.034 0.000 1.085 274 L CA 1.531 56.363 54.840 -0.014 0.000 0.755 274 L CB -0.917 41.149 42.059 0.011 0.000 0.904 274 L HN 0.443 nan 8.230 nan 0.000 0.435 275 T N -5.301 109.214 114.554 -0.065 0.000 3.015 275 T HA 0.146 4.497 4.350 0.002 0.000 0.250 275 T C 1.420 176.044 174.700 -0.126 0.000 1.057 275 T CA 0.272 62.325 62.100 -0.078 0.000 1.066 275 T CB 0.421 69.255 68.868 -0.058 0.000 0.959 275 T HN 0.048 nan 8.240 nan 0.000 0.488 276 V N 0.488 120.321 119.914 -0.134 0.000 3.134 276 V HA 0.325 4.446 4.120 0.002 0.000 0.222 276 V C 2.430 178.417 176.094 -0.180 0.000 1.247 276 V CA 0.071 62.294 62.300 -0.128 0.000 1.281 276 V CB -0.428 31.345 31.823 -0.083 0.000 1.169 276 V HN 0.259 nan 8.190 nan 0.000 0.512 277 L N 0.455 121.538 121.223 -0.233 0.000 2.046 277 L HA -0.171 4.170 4.340 0.002 0.000 0.208 277 L C 2.234 178.965 176.870 -0.231 0.000 1.077 277 L CA 1.679 56.362 54.840 -0.261 0.000 0.747 277 L CB -0.714 41.131 42.059 -0.356 0.000 0.896 277 L HN 0.373 nan 8.230 nan 0.000 0.432 278 D N 0.004 120.285 120.400 -0.199 0.000 2.178 278 D HA -0.144 4.497 4.640 0.002 0.000 0.202 278 D C 2.100 178.264 176.300 -0.228 0.000 0.974 278 D CA 0.916 54.799 54.000 -0.196 0.000 0.841 278 D CB -0.011 40.696 40.800 -0.156 0.000 0.953 278 D HN 0.111 nan 8.370 nan 0.000 0.478 279 L N 1.338 122.423 121.223 -0.229 0.000 2.005 279 L HA -0.060 4.281 4.340 0.002 0.000 0.207 279 L C 2.260 178.768 176.870 -0.604 0.000 1.072 279 L CA 1.247 55.931 54.840 -0.261 0.000 0.744 279 L CB -0.709 41.260 42.059 -0.150 0.000 0.895 279 L HN 0.102 nan 8.230 nan 0.000 0.433 280 I N -2.905 117.200 120.570 -0.776 0.000 2.567 280 I HA -0.112 4.060 4.170 0.002 0.000 0.257 280 I C 2.168 177.827 176.117 -0.763 0.000 1.184 280 I CA 1.276 61.777 61.300 -1.333 0.000 1.451 280 I CB -0.822 36.780 38.000 -0.664 0.000 1.089 280 I HN 0.169 nan 8.210 nan 0.000 0.441 281 A N 1.973 124.538 122.820 -0.425 0.000 2.067 281 A HA 0.042 4.363 4.320 0.002 0.000 0.219 281 A C 2.285 179.714 177.584 -0.259 0.000 1.158 281 A CA 1.238 53.131 52.037 -0.239 0.000 0.661 281 A CB -0.631 18.249 19.000 -0.200 0.000 0.801 281 A HN 0.586 nan 8.150 nan 0.000 0.452 282 L N -1.829 119.183 121.223 -0.351 0.000 2.375 282 L HA 0.012 4.353 4.340 0.002 0.000 0.215 282 L C 2.029 178.570 176.870 -0.548 0.000 1.108 282 L CA 0.069 54.701 54.840 -0.347 0.000 0.830 282 L CB -0.543 41.373 42.059 -0.238 0.000 0.959 282 L HN 0.219 nan 8.230 nan 0.000 0.457 283 F N 1.143 120.696 119.950 -0.660 0.000 2.085 283 F HA -0.184 4.344 4.527 0.002 0.000 0.299 283 F C 0.034 175.516 175.800 -0.530 0.000 1.096 283 F CA 1.335 58.882 58.000 -0.754 0.000 1.227 283 F CB -2.574 36.242 39.000 -0.308 0.000 0.983 283 F HN 0.144 nan 8.300 nan 0.000 0.482 284 P HA -0.128 nan 4.420 nan 0.000 0.220 284 P C 1.746 178.983 177.300 -0.107 0.000 1.148 284 P CA 1.224 64.331 63.100 0.011 0.000 0.803 284 P CB -0.151 31.580 31.700 0.052 0.000 0.782 285 L N -2.885 118.149 121.223 -0.315 0.000 2.610 285 L HA -0.055 4.286 4.340 0.002 0.000 0.232 285 L C 1.434 178.310 176.870 0.010 0.000 1.149 285 L CA 0.545 55.141 54.840 -0.405 0.000 0.872 285 L CB -0.784 41.041 42.059 -0.391 0.000 0.992 285 L HN 0.021 nan 8.230 nan 0.000 0.447 286 Y N -0.900 119.395 120.300 -0.010 0.000 2.546 286 Y HA 0.030 4.582 4.550 0.002 0.000 0.287 286 Y C 1.122 177.035 175.900 0.021 0.000 1.158 286 Y CA -0.636 57.459 58.100 -0.008 0.000 1.307 286 Y CB -0.561 37.900 38.460 0.002 0.000 1.036 286 Y HN 0.065 nan 8.280 nan 0.000 0.532 287 D N 1.148 121.710 120.400 0.269 0.000 2.435 287 D HA 0.055 4.696 4.640 0.002 0.000 0.230 287 D C 1.354 177.853 176.300 0.332 0.000 1.215 287 D CA 0.091 54.280 54.000 0.315 0.000 0.947 287 D CB 0.676 41.697 40.800 0.368 0.000 1.048 287 D HN 0.141 nan 8.370 nan 0.000 0.512 288 V N 2.182 122.219 119.914 0.204 0.000 3.383 288 V HA -0.072 4.049 4.120 0.002 0.000 0.272 288 V C 1.757 177.998 176.094 0.245 0.000 1.181 288 V CA 0.857 63.279 62.300 0.204 0.000 1.171 288 V CB -0.575 31.221 31.823 -0.045 0.000 0.800 288 V HN 0.312 nan 8.190 nan 0.000 0.515 289 R N -0.267 120.333 120.500 0.166 0.000 2.105 289 R HA 0.325 4.667 4.340 0.002 0.000 0.214 289 R C 2.224 178.551 176.300 0.044 0.000 1.091 289 R CA 0.990 57.122 56.100 0.053 0.000 1.007 289 R CB -0.202 30.025 30.300 -0.121 0.000 0.912 289 R HN 0.419 nan 8.270 nan 0.000 0.450 290 L N -0.253 121.015 121.223 0.076 0.000 2.179 290 L HA -0.014 4.327 4.340 0.002 0.000 0.208 290 L C 0.219 176.889 176.870 -0.333 0.000 1.096 290 L CA 0.900 55.672 54.840 -0.114 0.000 0.779 290 L CB 0.265 42.263 42.059 -0.102 0.000 0.922 290 L HN 0.156 nan 8.230 nan 0.000 0.443 291 Y N -0.946 119.425 120.300 0.119 0.000 2.915 291 Y HA 0.271 4.822 4.550 0.002 0.000 0.350 291 Y C -1.857 174.144 175.900 0.167 0.000 1.061 291 Y CA -2.093 56.080 58.100 0.123 0.000 1.179 291 Y CB 0.314 38.844 38.460 0.116 0.000 1.180 291 Y HN -0.014 nan 8.280 nan 0.000 0.605 292 P HA -0.025 nan 4.420 nan 0.000 0.242 292 P C -0.413 176.935 177.300 0.079 0.000 1.197 292 P CA 0.959 64.146 63.100 0.145 0.000 0.765 292 P CB 0.368 32.065 31.700 -0.004 0.000 0.936 293 K N -0.553 119.950 120.400 0.170 0.000 2.378 293 K HA 0.373 4.694 4.320 0.002 0.000 0.244 293 K C -0.202 176.530 176.600 0.220 0.000 1.039 293 K CA -1.003 55.371 56.287 0.145 0.000 0.863 293 K CB 1.533 34.093 32.500 0.099 0.000 1.326 293 K HN -0.126 nan 8.250 nan 0.000 0.460 294 E N 0.845 121.156 120.200 0.184 0.000 2.398 294 E HA 0.129 4.480 4.350 0.002 0.000 0.263 294 E C -0.708 175.984 176.600 0.154 0.000 1.046 294 E CA -0.276 56.224 56.400 0.168 0.000 0.908 294 E CB 0.861 30.650 29.700 0.148 0.000 0.963 294 E HN 0.081 nan 8.360 nan 0.000 0.431 295 V N 2.952 122.937 119.914 0.119 0.000 2.459 295 V HA 0.182 4.303 4.120 0.002 0.000 0.295 295 V C -0.028 176.108 176.094 0.069 0.000 1.029 295 V CA -0.705 61.655 62.300 0.100 0.000 0.874 295 V CB 1.506 33.342 31.823 0.022 0.000 0.985 295 V HN 0.532 nan 8.190 nan 0.000 0.438 296 K N 3.084 123.535 120.400 0.085 0.000 2.253 296 K HA 0.618 4.939 4.320 0.002 0.000 0.277 296 K C -0.485 176.147 176.600 0.053 0.000 1.053 296 K CA -0.019 56.310 56.287 0.069 0.000 0.892 296 K CB 1.229 33.779 32.500 0.084 0.000 1.102 296 K HN 0.834 nan 8.250 nan 0.000 0.469 297 T N 2.225 116.793 114.554 0.023 0.000 2.754 297 T HA 0.396 4.747 4.350 0.002 0.000 0.296 297 T C -2.030 172.664 174.700 -0.010 0.000 1.205 297 T CA -0.682 61.418 62.100 0.000 0.000 1.009 297 T CB 1.258 70.102 68.868 -0.040 0.000 1.368 297 T HN 0.799 nan 8.240 nan 0.000 0.509 298 E N 1.173 121.352 120.200 -0.033 0.000 2.412 298 E HA 0.542 4.893 4.350 0.002 0.000 0.279 298 E C -1.574 174.978 176.600 -0.081 0.000 0.984 298 E CA -1.045 55.331 56.400 -0.040 0.000 0.788 298 E CB 1.446 31.128 29.700 -0.029 0.000 1.277 298 E HN 0.446 nan 8.360 nan 0.000 0.455 299 L N 1.978 123.141 121.223 -0.100 0.000 2.265 299 L HA 0.332 4.673 4.340 0.002 0.000 0.289 299 L C 0.923 177.792 176.870 -0.001 0.000 1.033 299 L CA -0.483 54.284 54.840 -0.121 0.000 0.814 299 L CB 1.375 43.253 42.059 -0.302 0.000 1.203 299 L HN 0.881 nan 8.230 nan 0.000 0.423 300 T N -1.872 112.692 114.554 0.016 0.000 3.086 300 T HA 0.058 4.409 4.350 0.002 0.000 0.250 300 T C 0.855 175.694 174.700 0.232 0.000 1.074 300 T CA -0.552 61.632 62.100 0.140 0.000 0.988 300 T CB -0.090 68.824 68.868 0.075 0.000 0.988 300 T HN 0.473 nan 8.240 nan 0.000 0.530 301 R N 1.819 122.395 120.500 0.127 0.000 2.679 301 R HA 0.304 4.645 4.340 0.002 0.000 0.269 301 R C -1.299 175.104 176.300 0.171 0.000 1.076 301 R CA -0.197 55.964 56.100 0.101 0.000 1.160 301 R CB -0.124 30.194 30.300 0.031 0.000 1.054 301 R HN 0.036 nan 8.270 nan 0.000 0.507 302 D N 0.770 121.249 120.400 0.132 0.000 2.253 302 D HA 0.420 5.061 4.640 0.002 0.000 0.249 302 D C -0.373 176.029 176.300 0.170 0.000 1.049 302 D CA -0.361 53.744 54.000 0.175 0.000 0.929 302 D CB 1.774 42.663 40.800 0.147 0.000 1.176 302 D HN 0.470 nan 8.370 nan 0.000 0.437 303 V N -1.060 118.985 119.914 0.218 0.000 2.808 303 V HA 0.536 4.657 4.120 0.002 0.000 0.308 303 V C -1.148 175.103 176.094 0.263 0.000 1.099 303 V CA -0.959 61.440 62.300 0.165 0.000 0.920 303 V CB 1.950 33.814 31.823 0.067 0.000 1.014 303 V HN 0.295 nan 8.190 nan 0.000 0.425 304 L N 4.086 125.445 121.223 0.227 0.000 2.307 304 L HA 0.609 4.951 4.340 0.002 0.000 0.284 304 L C 0.799 177.847 176.870 0.296 0.000 1.023 304 L CA -0.098 54.941 54.840 0.331 0.000 0.810 304 L CB 1.971 44.229 42.059 0.332 0.000 1.231 304 L HN 1.041 nan 8.230 nan 0.000 0.423 305 T N -1.493 113.329 114.554 0.447 0.000 2.828 305 T HA 0.217 4.568 4.350 0.002 0.000 0.290 305 T C 0.089 175.049 174.700 0.434 0.000 1.019 305 T CA -0.915 61.417 62.100 0.387 0.000 1.031 305 T CB 1.069 70.308 68.868 0.619 0.000 1.001 305 T HN 0.333 nan 8.240 nan 0.000 0.531 306 D N 2.595 123.227 120.400 0.386 0.000 2.472 306 D HA 0.175 4.816 4.640 0.002 0.000 0.237 306 D C -2.147 174.467 176.300 0.523 0.000 1.141 306 D CA -1.014 53.224 54.000 0.396 0.000 0.875 306 D CB 0.161 41.158 40.800 0.328 0.000 1.192 306 D HN 0.341 nan 8.370 nan 0.000 0.450 307 P HA 0.088 nan 4.420 nan 0.000 0.269 307 P C -0.229 177.168 177.300 0.161 0.000 1.209 307 P CA 0.023 63.281 63.100 0.264 0.000 0.776 307 P CB 0.482 32.364 31.700 0.303 0.000 0.876 308 I N 2.877 123.379 120.570 -0.112 0.000 2.281 308 I HA 0.198 4.369 4.170 0.002 0.000 0.293 308 I C 0.308 176.397 176.117 -0.047 0.000 1.085 308 I CA -0.491 60.648 61.300 -0.268 0.000 1.257 308 I CB 0.107 37.757 38.000 -0.582 0.000 1.430 308 I HN 0.069 nan 8.210 nan 0.000 0.489 309 V N 2.028 121.982 119.914 0.066 0.000 2.823 309 V HA 0.696 4.817 4.120 0.002 0.000 0.312 309 V C 0.796 176.930 176.094 0.068 0.000 1.072 309 V CA -0.522 61.812 62.300 0.056 0.000 0.937 309 V CB 1.534 33.401 31.823 0.074 0.000 1.013 309 V HN 0.703 nan 8.190 nan 0.000 0.430 310 G N 2.030 110.847 108.800 0.029 0.000 2.511 310 G HA2 0.258 4.219 3.960 0.002 0.000 0.217 310 G HA3 0.258 4.219 3.960 0.002 0.000 0.217 310 G C 0.506 175.419 174.900 0.023 0.000 1.133 310 G CA 1.086 46.198 45.100 0.020 0.000 0.792 310 G HN 1.461 nan 8.290 nan 0.000 0.539 311 V N -3.192 116.735 119.914 0.023 0.000 2.864 311 V HA 0.530 4.652 4.120 0.002 0.000 0.314 311 V C 0.621 176.749 176.094 0.056 0.000 1.073 311 V CA -1.129 61.188 62.300 0.027 0.000 0.956 311 V CB 1.818 33.641 31.823 0.000 0.000 1.023 311 V HN -0.107 nan 8.190 nan 0.000 0.435 312 N N 1.721 120.456 118.700 0.059 0.000 2.270 312 N HA -0.016 4.725 4.740 0.002 0.000 0.181 312 N C 0.318 175.879 175.510 0.086 0.000 1.016 312 N CA 1.210 54.307 53.050 0.077 0.000 0.870 312 N CB -0.271 38.253 38.487 0.062 0.000 0.979 312 N HN 0.836 nan 8.380 nan 0.000 0.431 313 N N 0.484 119.221 118.700 0.062 0.000 2.448 313 N HA 0.209 4.950 4.740 0.002 0.000 0.279 313 N C -0.108 175.428 175.510 0.043 0.000 1.025 313 N CA -0.197 52.891 53.050 0.064 0.000 0.898 313 N CB 1.121 39.638 38.487 0.049 0.000 1.303 313 N HN -0.081 nan 8.380 nan 0.000 0.495 314 L N 2.746 123.997 121.223 0.047 0.000 2.612 314 L HA 0.257 4.598 4.340 0.002 0.000 0.230 314 L C 0.627 177.549 176.870 0.086 0.000 1.140 314 L CA -0.023 54.828 54.840 0.017 0.000 0.896 314 L CB -0.210 41.806 42.059 -0.073 0.000 1.065 314 L HN 0.559 nan 8.230 nan 0.000 0.447 315 R N 0.423 120.965 120.500 0.071 0.000 3.301 315 R HA -0.260 4.081 4.340 0.002 0.000 0.249 315 R C 1.166 177.470 176.300 0.006 0.000 0.964 315 R CA 0.349 56.490 56.100 0.069 0.000 0.653 315 R CB -1.972 28.387 30.300 0.099 0.000 1.043 315 R HN 0.651 nan 8.270 nan 0.000 0.454 316 G N -1.678 107.095 108.800 -0.045 0.000 2.199 316 G HA2 -0.386 3.575 3.960 0.002 0.000 0.254 316 G HA3 -0.386 3.575 3.960 0.002 0.000 0.254 316 G C 0.344 175.062 174.900 -0.303 0.000 0.982 316 G CA 0.425 45.418 45.100 -0.178 0.000 0.632 316 G HN 0.475 nan 8.290 nan 0.000 0.529 317 Y N 1.501 121.734 120.300 -0.113 0.000 2.546 317 Y HA 0.379 4.930 4.550 0.002 0.000 0.287 317 Y C 2.346 178.119 175.900 -0.213 0.000 1.158 317 Y CA 0.212 58.221 58.100 -0.151 0.000 1.307 317 Y CB 0.043 38.397 38.460 -0.176 0.000 1.036 317 Y HN 0.409 nan 8.280 nan 0.000 0.532 318 G N 0.476 109.171 108.800 -0.174 0.000 2.432 318 G HA2 0.146 4.107 3.960 0.002 0.000 0.239 318 G HA3 0.146 4.107 3.960 0.002 0.000 0.239 318 G C 0.075 174.857 174.900 -0.196 0.000 1.291 318 G CA -0.425 44.393 45.100 -0.470 0.000 0.863 318 G HN 0.062 nan 8.290 nan 0.000 0.560 319 T N 1.405 115.833 114.554 -0.210 0.000 2.946 319 T HA 0.246 4.597 4.350 0.002 0.000 0.312 319 T C 1.315 176.020 174.700 0.007 0.000 1.066 319 T CA 0.635 62.682 62.100 -0.089 0.000 1.138 319 T CB 0.322 69.094 68.868 -0.160 0.000 1.014 319 T HN 0.854 nan 8.240 nan 0.000 0.544 320 T N 1.289 115.834 114.554 -0.014 0.000 2.900 320 T HA 0.168 4.519 4.350 0.002 0.000 0.307 320 T C 1.089 175.803 174.700 0.023 0.000 1.065 320 T CA -0.806 61.319 62.100 0.042 0.000 1.105 320 T CB 0.255 69.147 68.868 0.041 0.000 0.979 320 T HN 0.403 nan 8.240 nan 0.000 0.544 321 F N 2.277 122.193 119.950 -0.057 0.000 2.045 321 F HA -0.198 4.330 4.527 0.002 0.000 0.297 321 F C 2.640 178.368 175.800 -0.119 0.000 1.114 321 F CA 2.440 60.400 58.000 -0.067 0.000 1.207 321 F CB -0.990 37.997 39.000 -0.021 0.000 0.964 321 F HN 0.650 nan 8.300 nan 0.000 0.486 322 S N 0.187 116.085 115.700 0.331 0.000 2.399 322 S HA -0.177 4.295 4.470 0.002 0.000 0.231 322 S C 1.577 176.270 174.600 0.154 0.000 1.022 322 S CA 1.183 59.517 58.200 0.224 0.000 0.983 322 S CB -0.446 62.842 63.200 0.148 0.000 0.803 322 S HN 0.444 nan 8.310 nan 0.000 0.480 323 N N 0.933 119.683 118.700 0.084 0.000 2.494 323 N HA 0.178 4.919 4.740 0.002 0.000 0.182 323 N C 1.260 176.757 175.510 -0.022 0.000 1.076 323 N CA 0.511 53.627 53.050 0.110 0.000 0.908 323 N CB -0.051 38.432 38.487 -0.007 0.000 0.967 323 N HN 0.451 nan 8.380 nan 0.000 0.449 324 I N -0.256 120.084 120.570 -0.383 0.000 2.962 324 I HA -0.026 4.145 4.170 0.002 0.000 0.246 324 I C 2.107 177.941 176.117 -0.472 0.000 1.091 324 I CA 0.258 60.983 61.300 -0.957 0.000 1.469 324 I CB -0.129 36.790 38.000 -1.802 0.000 1.324 324 I HN -0.128 nan 8.210 nan 0.000 0.461 325 E N 1.920 121.879 120.200 -0.402 0.000 2.118 325 E HA -0.230 4.122 4.350 0.002 0.000 0.195 325 E C 1.584 178.240 176.600 0.094 0.000 0.992 325 E CA 1.818 58.235 56.400 0.030 0.000 0.804 325 E CB -0.326 29.455 29.700 0.135 0.000 0.741 325 E HN 0.419 nan 8.360 nan 0.000 0.458 326 N N -1.698 117.037 118.700 0.058 0.000 2.494 326 N HA -0.069 4.672 4.740 0.002 0.000 0.182 326 N C 0.461 175.801 175.510 -0.284 0.000 1.076 326 N CA 0.383 53.375 53.050 -0.097 0.000 0.908 326 N CB 0.094 38.473 38.487 -0.180 0.000 0.967 326 N HN 0.228 nan 8.380 nan 0.000 0.449 327 Y N 0.604 120.957 120.300 0.088 0.000 2.445 327 Y HA 0.281 4.832 4.550 0.002 0.000 0.247 327 Y C 0.937 176.912 175.900 0.125 0.000 1.129 327 Y CA -0.762 57.415 58.100 0.129 0.000 1.251 327 Y CB 0.186 38.767 38.460 0.201 0.000 1.176 327 Y HN -0.008 nan 8.280 nan 0.000 0.522 328 I N -0.934 119.782 120.570 0.244 0.000 3.060 328 I HA 0.150 4.321 4.170 0.002 0.000 0.285 328 I C 0.501 176.660 176.117 0.071 0.000 1.190 328 I CA -0.801 60.609 61.300 0.184 0.000 1.363 328 I CB 0.530 38.661 38.000 0.219 0.000 1.396 328 I HN -0.091 nan 8.210 nan 0.000 0.607 329 R N 3.632 124.109 120.500 -0.038 0.000 2.523 329 R HA 0.071 4.412 4.340 0.002 0.000 0.281 329 R C -0.270 176.044 176.300 0.023 0.000 0.969 329 R CA 0.319 56.344 56.100 -0.125 0.000 1.093 329 R CB 0.061 30.154 30.300 -0.345 0.000 0.917 329 R HN 0.655 nan 8.270 nan 0.000 0.408 330 K N 3.389 123.813 120.400 0.040 0.000 2.090 330 K HA 0.280 4.601 4.320 0.002 0.000 0.249 330 K C -2.194 174.490 176.600 0.140 0.000 0.995 330 K CA -1.832 54.504 56.287 0.080 0.000 0.914 330 K CB 0.406 32.936 32.500 0.050 0.000 1.057 330 K HN 0.233 nan 8.250 nan 0.000 0.462 331 P HA -0.123 nan 4.420 nan 0.000 0.255 331 P C -1.368 175.974 177.300 0.069 0.000 1.161 331 P CA 0.874 63.993 63.100 0.032 0.000 0.768 331 P CB -0.056 31.660 31.700 0.027 0.000 0.746 332 H N 1.070 120.133 119.070 -0.011 0.000 2.980 332 H HA 0.597 5.154 4.556 0.002 0.000 0.367 332 H C -0.853 174.481 175.328 0.009 0.000 1.206 332 H CA -1.427 54.612 56.048 -0.014 0.000 1.126 332 H CB 0.204 29.930 29.762 -0.060 0.000 1.838 332 H HN 0.012 nan 8.280 nan 0.000 0.552 333 L N 1.458 122.756 121.223 0.125 0.000 2.483 333 L HA 0.105 4.446 4.340 0.002 0.000 0.276 333 L C 0.024 177.009 176.870 0.191 0.000 1.213 333 L CA 0.210 55.124 54.840 0.123 0.000 0.843 333 L CB -0.553 41.590 42.059 0.140 0.000 1.107 333 L HN 0.682 nan 8.230 nan 0.000 0.487 334 F N 3.376 123.345 119.950 0.033 0.000 2.572 334 F HA 0.240 4.768 4.527 0.002 0.000 0.370 334 F C 0.382 176.196 175.800 0.023 0.000 1.103 334 F CA 0.217 58.221 58.000 0.007 0.000 1.286 334 F CB 0.319 39.287 39.000 -0.053 0.000 1.105 334 F HN 0.712 nan 8.300 nan 0.000 0.583 335 D N 2.738 122.870 120.400 -0.446 0.000 2.664 335 D HA 0.375 5.016 4.640 0.002 0.000 0.292 335 D C -1.928 174.064 176.300 -0.513 0.000 1.214 335 D CA -0.661 53.224 54.000 -0.193 0.000 0.932 335 D CB 0.751 41.561 40.800 0.017 0.000 1.420 335 D HN 0.294 nan 8.370 nan 0.000 0.471 336 Y N -0.781 119.594 120.300 0.125 0.000 2.499 336 Y HA 0.376 4.927 4.550 0.002 0.000 0.347 336 Y C 0.086 176.039 175.900 0.089 0.000 0.987 336 Y CA -1.357 56.819 58.100 0.127 0.000 1.044 336 Y CB 1.707 40.288 38.460 0.202 0.000 1.245 336 Y HN 0.340 nan 8.280 nan 0.000 0.461 337 L N 4.061 125.384 121.223 0.167 0.000 2.513 337 L HA -0.042 4.299 4.340 0.002 0.000 0.272 337 L C 0.613 177.577 176.870 0.157 0.000 1.187 337 L CA 0.744 55.606 54.840 0.036 0.000 0.895 337 L CB 0.384 42.315 42.059 -0.214 0.000 1.147 337 L HN 0.927 nan 8.230 nan 0.000 0.483 338 H N 5.655 124.775 119.070 0.083 0.000 2.521 338 H HA 0.234 4.791 4.556 0.002 0.000 0.267 338 H C 0.095 175.549 175.328 0.210 0.000 0.963 338 H CA -0.085 56.045 56.048 0.137 0.000 1.175 338 H CB 1.006 30.821 29.762 0.088 0.000 1.450 338 H HN 0.647 nan 8.280 nan 0.000 0.472 339 R N 0.314 120.945 120.500 0.219 0.000 2.663 339 R HA 0.447 4.788 4.340 0.002 0.000 0.267 339 R C -2.046 174.327 176.300 0.122 0.000 1.038 339 R CA -0.479 55.716 56.100 0.159 0.000 0.886 339 R CB 1.808 32.162 30.300 0.090 0.000 1.249 339 R HN 0.066 nan 8.270 nan 0.000 0.463 340 I N 2.521 123.166 120.570 0.124 0.000 2.569 340 I HA 0.278 4.449 4.170 0.002 0.000 0.290 340 I C -0.947 175.187 176.117 0.029 0.000 1.088 340 I CA -0.717 60.582 61.300 -0.002 0.000 1.047 340 I CB 2.279 40.213 38.000 -0.111 0.000 1.237 340 I HN 0.564 nan 8.210 nan 0.000 0.421 341 Q N 5.996 125.811 119.800 0.025 0.000 2.425 341 Q HA 0.447 4.788 4.340 0.002 0.000 0.254 341 Q C -1.585 174.522 176.000 0.180 0.000 1.032 341 Q CA -0.634 55.282 55.803 0.189 0.000 0.798 341 Q CB 0.816 29.772 28.738 0.363 0.000 1.210 341 Q HN 0.449 nan 8.270 nan 0.000 0.491 342 F N 2.580 122.584 119.950 0.090 0.000 2.456 342 F HA 0.231 4.759 4.527 0.002 0.000 0.358 342 F C 0.170 176.069 175.800 0.166 0.000 1.095 342 F CA -0.051 57.931 58.000 -0.030 0.000 1.216 342 F CB 0.646 39.335 39.000 -0.519 0.000 1.125 342 F HN 0.545 nan 8.300 nan 0.000 0.549 343 H N 0.552 119.834 119.070 0.353 0.000 2.466 343 H HA 0.502 5.059 4.556 0.002 0.000 0.338 343 H C -0.385 175.134 175.328 0.317 0.000 1.091 343 H CA -0.629 55.611 56.048 0.321 0.000 1.207 343 H CB 1.468 31.442 29.762 0.352 0.000 1.466 343 H HN 0.488 nan 8.280 nan 0.000 0.493 344 T N 4.016 118.731 114.554 0.269 0.000 2.885 344 T HA 0.631 4.982 4.350 0.002 0.000 0.285 344 T C -0.064 174.631 174.700 -0.009 0.000 1.019 344 T CA -0.949 61.250 62.100 0.165 0.000 1.010 344 T CB 1.432 70.428 68.868 0.213 0.000 1.022 344 T HN 0.407 nan 8.240 nan 0.000 0.466 345 R N 0.598 120.942 120.500 -0.261 0.000 2.808 345 R HA 0.513 4.854 4.340 0.002 0.000 0.272 345 R C -1.521 174.638 176.300 -0.235 0.000 0.995 345 R CA -0.878 55.051 56.100 -0.284 0.000 0.917 345 R CB 2.113 32.170 30.300 -0.405 0.000 1.217 345 R HN 0.555 nan 8.270 nan 0.000 0.471 346 F N 1.927 121.781 119.950 -0.161 0.000 2.404 346 F HA 0.249 4.777 4.527 0.001 0.000 0.345 346 F C -0.299 175.463 175.800 -0.064 0.000 1.110 346 F CA -0.473 57.471 58.000 -0.093 0.000 1.130 346 F CB 1.269 40.236 39.000 -0.055 0.000 1.129 346 F HN 0.260 nan 8.300 nan 0.000 0.500 347 Q N 9.040 128.273 119.800 -0.945 0.000 2.368 347 Q HA 0.443 4.784 4.340 0.002 0.000 0.263 347 Q C -2.867 172.344 176.000 -1.314 0.000 1.009 347 Q CA -2.888 52.310 55.803 -1.009 0.000 0.818 347 Q CB 1.392 29.462 28.738 -1.113 0.000 1.239 347 Q HN 0.341 nan 8.270 nan 0.000 0.464 348 P HA 0.214 nan 4.420 nan 0.000 0.276 348 P C -0.225 177.138 177.300 0.104 0.000 1.230 348 P CA -0.111 62.715 63.100 -0.457 0.000 0.776 348 P CB 1.201 32.876 31.700 -0.042 0.000 0.888 349 G N 1.637 110.509 108.800 0.120 0.000 2.400 349 G HA2 0.096 4.057 3.960 0.002 0.000 0.301 349 G HA3 0.096 4.057 3.960 0.002 0.000 0.301 349 G C 0.271 175.022 174.900 -0.248 0.000 1.154 349 G CA -0.438 44.766 45.100 0.173 0.000 0.852 349 G HN 0.428 nan 8.290 nan 0.000 0.511 350 Y N 1.102 120.822 120.300 -0.968 0.000 2.241 350 Y HA -0.197 4.354 4.550 0.001 0.000 0.286 350 Y C 1.432 176.792 175.900 -0.899 0.000 1.166 350 Y CA 1.724 59.006 58.100 -1.364 0.000 1.203 350 Y CB 0.065 37.693 38.460 -1.387 0.000 0.977 350 Y HN 0.531 nan 8.280 nan 0.000 0.529 351 Y N -0.724 119.428 120.300 -0.246 0.000 2.607 351 Y HA 0.336 4.887 4.550 0.002 0.000 0.266 351 Y C 1.794 177.633 175.900 -0.102 0.000 1.178 351 Y CA 0.044 58.031 58.100 -0.188 0.000 1.226 351 Y CB 0.424 38.840 38.460 -0.074 0.000 1.144 351 Y HN 0.186 nan 8.280 nan 0.000 0.528 352 G N 1.370 110.176 108.800 0.010 0.000 2.855 352 G HA2 -0.528 3.433 3.960 0.002 0.000 0.231 352 G HA3 -0.528 3.433 3.960 0.002 0.000 0.231 352 G C 1.362 176.343 174.900 0.135 0.000 1.242 352 G CA 1.072 46.219 45.100 0.079 0.000 0.789 352 G HN 0.537 nan 8.290 nan 0.000 0.517 353 N N 2.205 120.982 118.700 0.128 0.000 2.364 353 N HA 0.030 4.771 4.740 0.002 0.000 0.183 353 N C 1.276 176.878 175.510 0.153 0.000 1.022 353 N CA 2.019 55.142 53.050 0.123 0.000 0.883 353 N CB -0.423 38.119 38.487 0.093 0.000 0.965 353 N HN 0.639 nan 8.380 nan 0.000 0.438 354 D N -1.014 119.496 120.400 0.183 0.000 2.427 354 D HA 0.105 4.746 4.640 0.002 0.000 0.224 354 D C -0.455 176.025 176.300 0.300 0.000 1.157 354 D CA -0.368 53.765 54.000 0.221 0.000 0.828 354 D CB -0.309 40.625 40.800 0.224 0.000 0.974 354 D HN 0.001 nan 8.370 nan 0.000 0.498 355 S N 0.230 116.099 115.700 0.282 0.000 2.624 355 S HA 0.608 5.079 4.470 0.002 0.000 0.263 355 S C -0.070 174.778 174.600 0.414 0.000 1.287 355 S CA -0.506 57.857 58.200 0.272 0.000 0.990 355 S CB 0.385 63.804 63.200 0.365 0.000 0.950 355 S HN 0.462 nan 8.310 nan 0.000 0.561 356 F N -1.431 118.607 119.950 0.146 0.000 2.719 356 F HA 0.553 5.081 4.527 0.001 0.000 0.309 356 F C -1.228 174.721 175.800 0.249 0.000 1.138 356 F CA -1.206 56.915 58.000 0.201 0.000 0.943 356 F CB 0.709 39.806 39.000 0.161 0.000 1.304 356 F HN 0.465 nan 8.300 nan 0.000 0.445 357 N N 0.399 119.328 118.700 0.382 0.000 2.489 357 N HA 0.682 5.423 4.740 0.002 0.000 0.284 357 N C -1.825 173.959 175.510 0.456 0.000 1.158 357 N CA -0.721 52.493 53.050 0.274 0.000 0.965 357 N CB 1.784 40.402 38.487 0.219 0.000 1.195 357 N HN 0.723 nan 8.380 nan 0.000 0.506 358 Y N -1.940 118.532 120.300 0.288 0.000 2.609 358 Y HA 0.424 4.975 4.550 0.002 0.000 0.336 358 Y C -1.604 174.583 175.900 0.479 0.000 1.129 358 Y CA -1.467 56.886 58.100 0.422 0.000 1.040 358 Y CB 0.438 39.146 38.460 0.414 0.000 1.310 358 Y HN 0.514 nan 8.280 nan 0.000 0.460 359 W N 4.498 126.034 121.300 0.394 0.000 2.529 359 W HA 0.373 5.034 4.660 0.002 0.000 0.319 359 W C 0.710 177.347 176.519 0.196 0.000 1.362 359 W CA 0.013 57.484 57.345 0.210 0.000 1.348 359 W CB 0.863 30.390 29.460 0.111 0.000 1.403 359 W HN 0.804 nan 8.180 nan 0.000 0.519 360 S N 3.487 119.347 115.700 0.268 0.000 2.475 360 S HA 0.492 4.963 4.470 0.002 0.000 0.224 360 S C 0.721 175.310 174.600 -0.018 0.000 1.042 360 S CA 0.472 58.748 58.200 0.126 0.000 0.935 360 S CB 0.307 63.528 63.200 0.035 0.000 0.801 360 S HN 0.602 nan 8.310 nan 0.000 0.509 361 G N 0.689 109.503 108.800 0.023 0.000 2.606 361 G HA2 0.573 4.534 3.960 0.002 0.000 0.300 361 G HA3 0.573 4.534 3.960 0.002 0.000 0.300 361 G C -1.908 172.892 174.900 -0.167 0.000 1.360 361 G CA -0.558 44.365 45.100 -0.295 0.000 0.783 361 G HN 0.680 nan 8.290 nan 0.000 0.484 362 N N -2.696 115.607 118.700 -0.661 0.000 3.185 362 N HA 0.600 5.341 4.740 0.002 0.000 0.238 362 N C -2.222 172.953 175.510 -0.558 0.000 1.451 362 N CA -0.831 52.042 53.050 -0.295 0.000 0.888 362 N CB 1.456 39.917 38.487 -0.043 0.000 1.413 362 N HN 0.506 nan 8.380 nan 0.000 0.511 363 Y N -0.550 119.679 120.300 -0.119 0.000 2.499 363 Y HA 0.734 5.285 4.550 0.002 0.000 0.347 363 Y C -0.733 175.085 175.900 -0.138 0.000 0.987 363 Y CA -0.710 57.323 58.100 -0.112 0.000 1.044 363 Y CB 2.359 40.841 38.460 0.037 0.000 1.245 363 Y HN 0.495 nan 8.280 nan 0.000 0.461 364 V N 1.565 121.491 119.914 0.021 0.000 2.841 364 V HA 0.618 4.739 4.120 0.002 0.000 0.310 364 V C -0.833 175.242 176.094 -0.032 0.000 1.090 364 V CA -0.895 61.331 62.300 -0.124 0.000 0.930 364 V CB 2.098 33.631 31.823 -0.482 0.000 1.014 364 V HN 0.754 nan 8.190 nan 0.000 0.425 365 S N 2.049 117.755 115.700 0.010 0.000 2.532 365 S HA 0.822 5.293 4.470 0.002 0.000 0.299 365 S C -0.184 174.490 174.600 0.124 0.000 1.105 365 S CA -0.651 57.596 58.200 0.078 0.000 1.018 365 S CB 2.000 65.269 63.200 0.115 0.000 1.021 365 S HN 1.018 nan 8.310 nan 0.000 0.483 366 T N 0.075 114.701 114.554 0.119 0.000 2.907 366 T HA 0.753 5.104 4.350 0.002 0.000 0.292 366 T C -0.573 174.183 174.700 0.093 0.000 1.043 366 T CA -1.235 60.953 62.100 0.147 0.000 1.003 366 T CB 1.249 70.198 68.868 0.135 0.000 1.084 366 T HN 0.690 nan 8.240 nan 0.000 0.483 367 R N 1.292 121.874 120.500 0.137 0.000 2.532 367 R HA 0.719 5.060 4.340 0.002 0.000 0.295 367 R C -2.722 173.728 176.300 0.251 0.000 0.968 367 R CA -1.908 54.236 56.100 0.074 0.000 0.916 367 R CB 0.744 31.031 30.300 -0.021 0.000 1.124 367 R HN 0.340 nan 8.270 nan 0.000 0.463 368 P HA -0.042 nan 4.420 nan 0.000 0.282 368 P C -0.409 177.137 177.300 0.410 0.000 1.286 368 P CA -0.449 62.811 63.100 0.267 0.000 0.777 368 P CB 0.514 32.327 31.700 0.188 0.000 1.184 369 S N -0.915 115.009 115.700 0.374 0.000 2.593 369 S HA 0.124 4.595 4.470 0.002 0.000 0.269 369 S C 0.677 175.296 174.600 0.032 0.000 1.334 369 S CA -0.659 57.743 58.200 0.336 0.000 1.015 369 S CB -0.533 62.841 63.200 0.290 0.000 0.912 369 S HN 0.389 nan 8.310 nan 0.000 0.541 370 I N 3.109 123.431 120.570 -0.414 0.000 2.919 370 I HA 0.222 4.393 4.170 0.002 0.000 0.303 370 I C 1.346 177.197 176.117 -0.442 0.000 1.221 370 I CA 1.906 62.848 61.300 -0.597 0.000 1.444 370 I CB -0.074 37.368 38.000 -0.929 0.000 1.331 370 I HN 0.983 nan 8.210 nan 0.000 0.572 371 G N 3.976 112.359 108.800 -0.695 0.000 2.316 371 G HA2 -0.213 3.748 3.960 0.002 0.000 0.203 371 G HA3 -0.213 3.748 3.960 0.002 0.000 0.203 371 G C 0.183 174.501 174.900 -0.969 0.000 0.999 371 G CA 0.124 44.655 45.100 -0.948 0.000 0.649 371 G HN 0.907 nan 8.290 nan 0.000 0.489 372 S N -0.472 114.893 115.700 -0.557 0.000 2.526 372 S HA 0.691 5.162 4.470 0.002 0.000 0.293 372 S C 0.408 174.931 174.600 -0.128 0.000 1.092 372 S CA 0.095 58.120 58.200 -0.291 0.000 0.980 372 S CB 1.483 64.647 63.200 -0.061 0.000 1.048 372 S HN 0.287 nan 8.310 nan 0.000 0.483 373 N N 1.185 119.831 118.700 -0.090 0.000 2.181 373 N HA 0.147 4.888 4.740 0.002 0.000 0.207 373 N C -1.243 174.234 175.510 -0.055 0.000 1.182 373 N CA -0.204 52.808 53.050 -0.064 0.000 0.893 373 N CB 0.436 38.884 38.487 -0.064 0.000 1.032 373 N HN 0.755 nan 8.380 nan 0.000 0.513 374 D N 1.115 121.496 120.400 -0.030 0.000 2.358 374 D HA 0.036 4.677 4.640 0.002 0.000 0.258 374 D C -0.080 176.201 176.300 -0.032 0.000 1.223 374 D CA -0.281 53.705 54.000 -0.025 0.000 0.886 374 D CB 0.618 41.419 40.800 0.002 0.000 1.120 374 D HN -0.075 nan 8.370 nan 0.000 0.482 375 I N 2.787 123.314 120.570 -0.071 0.000 2.618 375 I HA 0.079 4.250 4.170 0.002 0.000 0.284 375 I C 0.601 176.704 176.117 -0.023 0.000 1.146 375 I CA -0.414 60.831 61.300 -0.091 0.000 1.425 375 I CB -0.046 37.865 38.000 -0.149 0.000 1.383 375 I HN 0.518 nan 8.210 nan 0.000 0.562 376 I N 6.221 126.795 120.570 0.006 0.000 2.315 376 I HA 0.193 4.364 4.170 0.002 0.000 0.291 376 I C 0.307 176.451 176.117 0.046 0.000 1.006 376 I CA -0.096 61.225 61.300 0.035 0.000 1.265 376 I CB 0.932 38.965 38.000 0.056 0.000 1.387 376 I HN 0.503 nan 8.210 nan 0.000 0.475 377 T N 4.486 119.062 114.554 0.036 0.000 2.797 377 T HA 0.296 4.647 4.350 0.002 0.000 0.279 377 T C 0.182 174.918 174.700 0.060 0.000 0.991 377 T CA -0.715 61.407 62.100 0.038 0.000 0.979 377 T CB 1.418 70.279 68.868 -0.012 0.000 0.943 377 T HN 0.726 nan 8.240 nan 0.000 0.444 378 S N 3.775 119.526 115.700 0.085 0.000 2.600 378 S HA 0.457 4.928 4.470 0.002 0.000 0.265 378 S C -2.498 172.079 174.600 -0.039 0.000 1.325 378 S CA -1.058 57.178 58.200 0.059 0.000 1.002 378 S CB -0.069 63.189 63.200 0.096 0.000 0.921 378 S HN 0.332 nan 8.310 nan 0.000 0.554 379 P HA 0.279 nan 4.420 nan 0.000 0.275 379 P C -0.653 176.308 177.300 -0.564 0.000 1.266 379 P CA -0.606 62.355 63.100 -0.230 0.000 0.793 379 P CB 0.200 31.759 31.700 -0.236 0.000 1.074 380 F N 1.039 120.655 119.950 -0.557 0.000 2.429 380 F HA 0.294 4.822 4.527 0.002 0.000 0.348 380 F C -0.613 174.704 175.800 -0.805 0.000 1.109 380 F CA 0.241 57.673 58.000 -0.947 0.000 1.232 380 F CB 0.111 38.611 39.000 -0.833 0.000 1.157 380 F HN 0.163 nan 8.300 nan 0.000 0.564 381 Y N 4.261 123.690 120.300 -1.451 0.000 2.341 381 Y HA 0.596 5.147 4.550 0.002 0.000 0.338 381 Y C 0.680 175.849 175.900 -1.220 0.000 0.965 381 Y CA -0.569 56.905 58.100 -1.043 0.000 1.108 381 Y CB 1.290 39.256 38.460 -0.824 0.000 1.180 381 Y HN 0.997 nan 8.280 nan 0.000 0.458 382 G N 2.646 111.126 108.800 -0.533 0.000 2.488 382 G HA2 -0.236 3.725 3.960 0.002 0.000 0.237 382 G HA3 -0.236 3.725 3.960 0.002 0.000 0.237 382 G C -0.907 173.976 174.900 -0.029 0.000 1.209 382 G CA -0.797 44.102 45.100 -0.336 0.000 0.929 382 G HN 0.535 nan 8.290 nan 0.000 0.578 383 N N 1.412 120.159 118.700 0.078 0.000 2.399 383 N HA 0.430 5.171 4.740 0.002 0.000 0.295 383 N C 0.303 175.994 175.510 0.301 0.000 1.048 383 N CA -0.669 52.505 53.050 0.207 0.000 0.886 383 N CB 1.432 39.987 38.487 0.114 0.000 1.185 383 N HN 0.491 nan 8.380 nan 0.000 0.487 384 K N 0.455 120.919 120.400 0.106 0.000 2.455 384 K HA 0.002 4.323 4.320 0.002 0.000 0.269 384 K C 0.374 177.099 176.600 0.208 0.000 0.972 384 K CA 0.179 56.450 56.287 -0.027 0.000 0.938 384 K CB 0.393 32.791 32.500 -0.170 0.000 0.931 384 K HN 0.374 nan 8.250 nan 0.000 0.507 385 S N 0.293 116.226 115.700 0.389 0.000 2.565 385 S HA 0.041 4.512 4.470 0.002 0.000 0.276 385 S C 1.236 175.882 174.600 0.077 0.000 1.326 385 S CA -0.110 58.212 58.200 0.202 0.000 1.045 385 S CB 0.466 63.689 63.200 0.039 0.000 0.918 385 S HN 0.595 nan 8.310 nan 0.000 0.505 386 S N 2.890 118.619 115.700 0.048 0.000 2.497 386 S HA 0.263 4.734 4.470 0.002 0.000 0.218 386 S C 0.273 174.882 174.600 0.015 0.000 1.023 386 S CA -0.312 57.905 58.200 0.028 0.000 0.913 386 S CB 0.026 63.248 63.200 0.037 0.000 0.800 386 S HN 0.630 nan 8.310 nan 0.000 0.505 387 E N 1.835 122.046 120.200 0.018 0.000 2.259 387 E HA 0.542 4.893 4.350 0.002 0.000 0.257 387 E C -2.963 173.633 176.600 -0.008 0.000 0.998 387 E CA -2.641 53.764 56.400 0.007 0.000 0.866 387 E CB -0.237 29.478 29.700 0.025 0.000 1.220 387 E HN 0.080 nan 8.360 nan 0.000 0.415 388 P HA 0.052 nan 4.420 nan 0.000 0.267 388 P C -0.322 176.962 177.300 -0.026 0.000 1.205 388 P CA -0.024 63.060 63.100 -0.027 0.000 0.765 388 P CB 0.442 32.128 31.700 -0.025 0.000 0.828 389 V N 4.621 124.492 119.914 -0.071 0.000 2.872 389 V HA -0.043 4.078 4.120 0.002 0.000 0.307 389 V C 0.654 176.754 176.094 0.010 0.000 1.072 389 V CA 0.631 62.876 62.300 -0.093 0.000 1.148 389 V CB 0.067 31.786 31.823 -0.172 0.000 0.954 389 V HN 0.533 nan 8.190 nan 0.000 0.490 390 Q N 3.223 123.082 119.800 0.099 0.000 2.340 390 Q HA 0.479 4.820 4.340 0.002 0.000 0.268 390 Q C -1.159 174.957 176.000 0.193 0.000 1.031 390 Q CA -0.731 55.148 55.803 0.127 0.000 0.804 390 Q CB 1.903 30.735 28.738 0.157 0.000 1.286 390 Q HN 0.681 nan 8.270 nan 0.000 0.448 391 N N 2.723 121.485 118.700 0.103 0.000 2.354 391 N HA 0.506 5.247 4.740 0.002 0.000 0.287 391 N C -1.341 174.172 175.510 0.006 0.000 1.016 391 N CA -0.363 52.742 53.050 0.091 0.000 0.871 391 N CB 1.686 40.191 38.487 0.030 0.000 1.299 391 N HN 0.428 nan 8.380 nan 0.000 0.482 392 L N 1.414 122.634 121.223 -0.005 0.000 2.341 392 L HA 0.486 4.827 4.340 0.002 0.000 0.278 392 L C 0.059 176.632 176.870 -0.494 0.000 1.005 392 L CA -0.744 53.935 54.840 -0.269 0.000 0.818 392 L CB 1.784 43.687 42.059 -0.260 0.000 1.259 392 L HN 0.301 nan 8.230 nan 0.000 0.418 393 E N 1.485 121.300 120.200 -0.642 0.000 2.202 393 E HA 0.420 4.772 4.350 0.002 0.000 0.272 393 E C -0.690 175.352 176.600 -0.930 0.000 0.951 393 E CA -0.232 55.807 56.400 -0.601 0.000 0.813 393 E CB 1.720 31.204 29.700 -0.360 0.000 1.151 393 E HN 0.372 nan 8.360 nan 0.000 0.398 394 F N -0.028 119.759 119.950 -0.271 0.000 2.746 394 F HA 0.181 4.709 4.527 0.002 0.000 0.320 394 F C 0.091 175.768 175.800 -0.206 0.000 1.097 394 F CA -0.689 57.188 58.000 -0.205 0.000 1.195 394 F CB 0.285 39.185 39.000 -0.166 0.000 1.056 394 F HN 0.273 nan 8.300 nan 0.000 0.562 395 N N 2.259 120.832 118.700 -0.212 0.000 1.754 395 N HA -0.145 4.597 4.740 0.002 0.000 0.295 395 N C 1.435 176.903 175.510 -0.070 0.000 1.315 395 N CA 1.458 54.418 53.050 -0.150 0.000 0.950 395 N CB -0.284 38.119 38.487 -0.141 0.000 1.311 395 N HN 0.690 nan 8.380 nan 0.000 0.479 396 G N 0.774 109.530 108.800 -0.074 0.000 2.284 396 G HA2 -0.288 3.673 3.960 0.002 0.000 0.247 396 G HA3 -0.288 3.673 3.960 0.002 0.000 0.247 396 G C 0.029 174.908 174.900 -0.034 0.000 1.012 396 G CA -0.022 45.005 45.100 -0.123 0.000 0.618 396 G HN 0.548 nan 8.290 nan 0.000 0.521 397 E N 1.083 121.304 120.200 0.036 0.000 2.398 397 E HA 0.390 4.741 4.350 0.002 0.000 0.263 397 E C 0.175 176.868 176.600 0.155 0.000 1.046 397 E CA 0.231 56.695 56.400 0.108 0.000 0.908 397 E CB 0.692 30.490 29.700 0.163 0.000 0.963 397 E HN 0.471 nan 8.360 nan 0.000 0.431 398 K N 1.272 121.798 120.400 0.210 0.000 2.367 398 K HA 0.296 4.617 4.320 0.002 0.000 0.263 398 K C -0.775 175.947 176.600 0.203 0.000 1.000 398 K CA -0.577 55.846 56.287 0.226 0.000 0.891 398 K CB 1.551 34.242 32.500 0.318 0.000 1.117 398 K HN 0.153 nan 8.250 nan 0.000 0.443 399 V N 5.357 125.329 119.914 0.097 0.000 2.397 399 V HA -0.022 4.099 4.120 0.002 0.000 0.262 399 V C 0.300 176.467 176.094 0.123 0.000 1.047 399 V CA -0.008 62.319 62.300 0.046 0.000 1.003 399 V CB -0.776 30.974 31.823 -0.121 0.000 1.037 399 V HN 0.752 nan 8.190 nan 0.000 0.480 400 Y N 3.237 123.524 120.300 -0.022 0.000 2.458 400 Y HA 0.581 5.133 4.550 0.002 0.000 0.256 400 Y C 0.683 176.689 175.900 0.178 0.000 1.159 400 Y CA -0.710 57.313 58.100 -0.127 0.000 1.261 400 Y CB 0.201 38.161 38.460 -0.835 0.000 1.119 400 Y HN 0.462 nan 8.280 nan 0.000 0.524 401 R N 0.837 121.326 120.500 -0.019 0.000 2.663 401 R HA 0.737 5.078 4.340 0.002 0.000 0.267 401 R C -2.078 174.363 176.300 0.234 0.000 1.038 401 R CA -0.551 55.618 56.100 0.115 0.000 0.886 401 R CB 1.781 32.026 30.300 -0.090 0.000 1.249 401 R HN 0.192 nan 8.270 nan 0.000 0.463 402 A N 2.740 125.767 122.820 0.346 0.000 2.429 402 A HA 0.568 4.889 4.320 0.002 0.000 0.289 402 A C -1.557 176.221 177.584 0.324 0.000 1.043 402 A CA -0.525 51.675 52.037 0.271 0.000 0.722 402 A CB 1.690 20.972 19.000 0.469 0.000 1.243 402 A HN 0.283 nan 8.150 nan 0.000 0.415 403 V N 1.424 121.418 119.914 0.134 0.000 2.540 403 V HA 0.842 4.963 4.120 0.002 0.000 0.302 403 V C 0.384 176.567 176.094 0.148 0.000 1.035 403 V CA -0.174 62.243 62.300 0.195 0.000 0.873 403 V CB 1.530 33.409 31.823 0.093 0.000 0.992 403 V HN 1.393 nan 8.190 nan 0.000 0.428 404 A N 3.931 126.909 122.820 0.264 0.000 2.380 404 A HA 0.889 5.210 4.320 0.002 0.000 0.315 404 A C -0.685 176.993 177.584 0.157 0.000 1.101 404 A CA -0.754 51.386 52.037 0.171 0.000 0.771 404 A CB 1.288 20.369 19.000 0.136 0.000 1.287 404 A HN 0.804 nan 8.150 nan 0.000 0.436 405 N N 0.290 119.059 118.700 0.116 0.000 2.405 405 N HA 0.719 5.460 4.740 0.002 0.000 0.299 405 N C -0.441 175.128 175.510 0.098 0.000 1.075 405 N CA -0.124 52.981 53.050 0.091 0.000 0.884 405 N CB 1.959 40.483 38.487 0.060 0.000 1.194 405 N HN 0.772 nan 8.380 nan 0.000 0.491 406 T N -1.577 113.010 114.554 0.055 0.000 2.906 406 T HA 0.633 4.984 4.350 0.002 0.000 0.295 406 T C -0.810 173.829 174.700 -0.102 0.000 1.075 406 T CA -0.835 61.276 62.100 0.017 0.000 1.005 406 T CB 1.965 70.853 68.868 0.033 0.000 1.136 406 T HN 0.306 nan 8.240 nan 0.000 0.498 407 N N -0.026 118.505 118.700 -0.281 0.000 2.525 407 N HA 0.773 5.514 4.740 0.002 0.000 0.270 407 N C -1.840 173.256 175.510 -0.690 0.000 1.321 407 N CA -0.901 51.820 53.050 -0.549 0.000 0.797 407 N CB 1.953 39.943 38.487 -0.830 0.000 1.529 407 N HN 0.978 nan 8.380 nan 0.000 0.491 408 L N -1.083 119.858 121.223 -0.470 0.000 2.434 408 L HA 1.046 5.387 4.340 0.002 0.000 0.260 408 L C -1.161 175.761 176.870 0.087 0.000 0.983 408 L CA -1.094 53.658 54.840 -0.148 0.000 0.820 408 L CB 1.789 43.826 42.059 -0.037 0.000 1.361 408 L HN 0.477 nan 8.230 nan 0.000 0.410 409 A N 2.119 125.153 122.820 0.358 0.000 2.330 409 A HA 0.797 5.119 4.320 0.002 0.000 0.313 409 A C -0.847 177.013 177.584 0.460 0.000 1.124 409 A CA -0.671 51.644 52.037 0.464 0.000 0.774 409 A CB 1.600 20.997 19.000 0.661 0.000 1.198 409 A HN 0.674 nan 8.150 nan 0.000 0.465 410 V N 3.299 123.428 119.914 0.360 0.000 2.334 410 V HA 0.224 4.345 4.120 0.002 0.000 0.267 410 V C -0.566 175.748 176.094 0.367 0.000 1.040 410 V CA -0.266 62.211 62.300 0.295 0.000 0.866 410 V CB -0.298 31.624 31.823 0.165 0.000 1.019 410 V HN 0.856 nan 8.190 nan 0.000 0.468 411 W N 6.080 127.411 121.300 0.051 0.000 2.332 411 W HA 0.432 5.094 4.660 0.003 0.000 0.351 411 W C -1.127 175.280 176.519 -0.187 0.000 1.195 411 W CA -1.850 55.458 57.345 -0.062 0.000 1.334 411 W CB 0.039 29.547 29.460 0.080 0.000 1.206 411 W HN 0.361 nan 8.180 nan 0.000 0.637 412 P HA -0.205 nan 4.420 nan 0.000 0.216 412 P C 0.525 177.800 177.300 -0.042 0.000 1.154 412 P CA 2.534 65.523 63.100 -0.185 0.000 0.865 412 P CB 0.181 31.678 31.700 -0.338 0.000 0.789 413 S N -3.537 112.168 115.700 0.009 0.000 2.977 413 S HA 0.717 5.188 4.470 0.002 0.000 0.250 413 S C -0.037 174.541 174.600 -0.036 0.000 1.005 413 S CA -0.237 57.963 58.200 0.001 0.000 1.081 413 S CB 0.267 63.472 63.200 0.009 0.000 1.018 413 S HN 0.203 nan 8.310 nan 0.000 0.539 414 A N 0.402 123.193 122.820 -0.048 0.000 2.599 414 A HA 0.721 5.042 4.320 0.002 0.000 0.294 414 A C -1.581 175.841 177.584 -0.270 0.000 1.055 414 A CA -0.683 51.188 52.037 -0.278 0.000 0.683 414 A CB 1.137 19.852 19.000 -0.475 0.000 1.278 414 A HN 0.545 nan 8.150 nan 0.000 0.412 415 V N 1.597 121.220 119.914 -0.485 0.000 2.588 415 V HA 0.571 4.692 4.120 0.002 0.000 0.304 415 V C -1.534 174.234 176.094 -0.543 0.000 1.042 415 V CA -0.379 61.748 62.300 -0.288 0.000 0.877 415 V CB 1.471 33.212 31.823 -0.137 0.000 0.996 415 V HN 0.764 nan 8.190 nan 0.000 0.425 416 Y N 2.438 122.666 120.300 -0.118 0.000 2.364 416 Y HA 0.701 5.251 4.550 0.001 0.000 0.340 416 Y C 0.471 176.394 175.900 0.039 0.000 0.975 416 Y CA -0.539 57.473 58.100 -0.147 0.000 1.089 416 Y CB 2.309 40.620 38.460 -0.248 0.000 1.192 416 Y HN 0.674 nan 8.280 nan 0.000 0.454 417 S N 1.040 116.802 115.700 0.103 0.000 2.546 417 S HA 0.980 5.452 4.470 0.002 0.000 0.274 417 S C -0.544 174.085 174.600 0.048 0.000 1.121 417 S CA -0.697 57.557 58.200 0.091 0.000 0.887 417 S CB 2.142 65.330 63.200 -0.020 0.000 1.094 417 S HN 1.036 nan 8.310 nan 0.000 0.474 418 G N 0.173 109.048 108.800 0.126 0.000 2.684 418 G HA2 0.568 4.529 3.960 0.002 0.000 0.290 418 G HA3 0.568 4.529 3.960 0.002 0.000 0.290 418 G C -1.573 173.477 174.900 0.250 0.000 1.425 418 G CA -0.756 44.449 45.100 0.175 0.000 0.822 418 G HN 0.931 nan 8.290 nan 0.000 0.482 419 V N 1.419 121.528 119.914 0.325 0.000 2.427 419 V HA 0.301 4.422 4.120 0.002 0.000 0.268 419 V C 1.526 177.929 176.094 0.515 0.000 1.046 419 V CA 0.658 63.171 62.300 0.356 0.000 0.970 419 V CB 0.542 32.593 31.823 0.381 0.000 1.001 419 V HN 1.038 nan 8.190 nan 0.000 0.476 420 T N 1.229 116.009 114.554 0.377 0.000 3.040 420 T HA 0.195 4.546 4.350 0.002 0.000 0.252 420 T C 0.542 175.374 174.700 0.220 0.000 1.064 420 T CA 0.130 62.445 62.100 0.358 0.000 1.110 420 T CB 0.407 69.415 68.868 0.233 0.000 0.921 420 T HN 0.472 nan 8.240 nan 0.000 0.480 421 K N 0.663 121.175 120.400 0.186 0.000 2.525 421 K HA 0.581 4.902 4.320 0.002 0.000 0.254 421 K C -2.278 174.375 176.600 0.089 0.000 0.934 421 K CA -0.746 55.571 56.287 0.050 0.000 0.802 421 K CB 2.793 35.276 32.500 -0.029 0.000 1.295 421 K HN 0.031 nan 8.250 nan 0.000 0.433 422 V N 2.858 122.785 119.914 0.022 0.000 2.524 422 V HA 0.290 4.412 4.120 0.002 0.000 0.297 422 V C -0.830 175.063 176.094 -0.335 0.000 1.035 422 V CA -0.837 61.361 62.300 -0.171 0.000 0.867 422 V CB 1.481 33.142 31.823 -0.269 0.000 1.004 422 V HN 0.822 nan 8.190 nan 0.000 0.426 423 E N 4.165 124.191 120.200 -0.291 0.000 2.109 423 E HA 0.544 4.895 4.350 0.002 0.000 0.278 423 E C -1.494 174.958 176.600 -0.246 0.000 0.954 423 E CA -0.550 55.738 56.400 -0.187 0.000 0.779 423 E CB 0.811 30.473 29.700 -0.063 0.000 1.093 423 E HN 0.529 nan 8.360 nan 0.000 0.401 424 F N 2.304 122.296 119.950 0.071 0.000 2.410 424 F HA 0.281 4.809 4.527 0.002 0.000 0.349 424 F C 0.449 176.248 175.800 -0.002 0.000 1.117 424 F CA -0.626 57.418 58.000 0.073 0.000 1.104 424 F CB 1.798 40.901 39.000 0.171 0.000 1.122 424 F HN 0.234 nan 8.300 nan 0.000 0.483 425 S N 3.482 119.187 115.700 0.009 0.000 2.438 425 S HA 0.385 4.856 4.470 0.002 0.000 0.293 425 S C -0.477 173.919 174.600 -0.340 0.000 1.141 425 S CA -0.876 57.169 58.200 -0.258 0.000 1.080 425 S CB 0.747 63.556 63.200 -0.652 0.000 0.978 425 S HN 0.620 nan 8.310 nan 0.000 0.479 426 Q N 2.321 122.134 119.800 0.022 0.000 2.387 426 Q HA 0.626 4.967 4.340 0.002 0.000 0.273 426 Q C -1.647 174.637 176.000 0.473 0.000 1.089 426 Q CA -0.986 54.956 55.803 0.232 0.000 0.824 426 Q CB 1.702 30.582 28.738 0.236 0.000 1.367 426 Q HN 0.623 nan 8.270 nan 0.000 0.443 427 Y N 1.608 122.115 120.300 0.346 0.000 2.391 427 Y HA 0.378 4.929 4.550 0.002 0.000 0.341 427 Y C -1.327 174.672 175.900 0.165 0.000 0.965 427 Y CA -1.042 57.205 58.100 0.246 0.000 1.067 427 Y CB 2.019 40.575 38.460 0.159 0.000 1.199 427 Y HN 0.823 nan 8.280 nan 0.000 0.450 428 N N 5.322 123.719 118.700 -0.505 0.000 2.527 428 N HA 0.062 4.803 4.740 0.002 0.000 0.236 428 N C 0.309 175.520 175.510 -0.499 0.000 0.999 428 N CA -0.178 52.674 53.050 -0.331 0.000 0.935 428 N CB 0.678 39.035 38.487 -0.216 0.000 1.132 428 N HN 0.928 nan 8.380 nan 0.000 0.511 429 D N 2.500 122.828 120.400 -0.121 0.000 2.310 429 D HA -0.181 4.460 4.640 0.002 0.000 0.212 429 D C 0.629 176.962 176.300 0.056 0.000 0.965 429 D CA 1.108 55.174 54.000 0.110 0.000 0.879 429 D CB 0.465 41.444 40.800 0.299 0.000 0.921 429 D HN 0.403 nan 8.370 nan 0.000 0.510 430 Q N 0.589 120.391 119.800 0.004 0.000 1.984 430 Q HA -0.027 4.314 4.340 0.002 0.000 0.196 430 Q C 2.089 178.078 176.000 -0.018 0.000 0.975 430 Q CA 2.087 57.900 55.803 0.017 0.000 0.827 430 Q CB -0.719 28.028 28.738 0.014 0.000 0.894 430 Q HN 0.497 nan 8.270 nan 0.000 0.438 431 T N -1.201 113.315 114.554 -0.063 0.000 3.324 431 T HA 0.054 4.405 4.350 0.002 0.000 0.250 431 T C -0.396 174.245 174.700 -0.098 0.000 1.059 431 T CA -0.084 61.978 62.100 -0.064 0.000 0.951 431 T CB -0.423 68.406 68.868 -0.064 0.000 1.030 431 T HN 0.177 nan 8.240 nan 0.000 0.576 432 D N 3.040 123.366 120.400 -0.123 0.000 2.813 432 D HA -0.144 4.497 4.640 0.002 0.000 0.218 432 D C 0.193 176.408 176.300 -0.141 0.000 1.240 432 D CA 1.269 55.202 54.000 -0.111 0.000 0.644 432 D CB -0.404 40.448 40.800 0.086 0.000 0.966 432 D HN 0.876 nan 8.370 nan 0.000 0.398 433 E N -1.027 118.932 120.200 -0.402 0.000 2.372 433 E HA 0.611 4.962 4.350 0.002 0.000 0.279 433 E C -1.682 174.823 176.600 -0.160 0.000 0.946 433 E CA -0.860 55.449 56.400 -0.152 0.000 0.769 433 E CB 1.490 31.168 29.700 -0.036 0.000 1.230 433 E HN -0.017 nan 8.360 nan 0.000 0.442 434 A N 1.438 124.346 122.820 0.147 0.000 2.256 434 A HA 0.865 5.186 4.320 0.002 0.000 0.318 434 A C -0.165 177.522 177.584 0.172 0.000 1.103 434 A CA 0.260 52.462 52.037 0.276 0.000 0.860 434 A CB 0.694 19.962 19.000 0.446 0.000 1.182 434 A HN 1.205 nan 8.150 nan 0.000 0.501 435 S N -1.247 114.566 115.700 0.188 0.000 2.643 435 S HA 0.710 5.182 4.470 0.002 0.000 0.266 435 S C -0.640 174.029 174.600 0.115 0.000 1.130 435 S CA -0.033 58.238 58.200 0.117 0.000 0.817 435 S CB 0.805 64.045 63.200 0.066 0.000 1.107 435 S HN 2.013 nan 8.310 nan 0.000 0.471 436 T N -1.275 113.328 114.554 0.082 0.000 2.906 436 T HA 0.788 5.139 4.350 0.002 0.000 0.295 436 T C -1.266 173.480 174.700 0.078 0.000 1.061 436 T CA -0.625 61.528 62.100 0.087 0.000 1.000 436 T CB 1.873 70.782 68.868 0.068 0.000 1.103 436 T HN 0.758 nan 8.240 nan 0.000 0.486 437 Q N 0.779 120.660 119.800 0.135 0.000 2.347 437 Q HA 0.630 4.972 4.340 0.002 0.000 0.271 437 Q C -0.993 175.129 176.000 0.203 0.000 1.064 437 Q CA -0.908 54.958 55.803 0.105 0.000 0.800 437 Q CB 2.567 31.329 28.738 0.040 0.000 1.304 437 Q HN 1.010 nan 8.270 nan 0.000 0.438 438 T N -1.122 113.485 114.554 0.088 0.000 2.903 438 T HA 0.518 4.869 4.350 0.002 0.000 0.299 438 T C -1.605 173.055 174.700 -0.068 0.000 1.093 438 T CA -0.581 61.550 62.100 0.053 0.000 1.002 438 T CB 1.254 70.101 68.868 -0.034 0.000 1.127 438 T HN 0.519 nan 8.240 nan 0.000 0.488 439 Y N 1.880 122.000 120.300 -0.299 0.000 2.341 439 Y HA 0.651 5.202 4.550 0.002 0.000 0.337 439 Y C -0.843 174.866 175.900 -0.318 0.000 1.014 439 Y CA -0.986 56.783 58.100 -0.551 0.000 1.111 439 Y CB 1.472 39.189 38.460 -1.238 0.000 1.194 439 Y HN 0.807 nan 8.280 nan 0.000 0.462 440 D N 3.443 123.202 120.400 -1.068 0.000 2.696 440 D HA 0.118 4.759 4.640 0.002 0.000 0.251 440 D C 0.372 176.168 176.300 -0.840 0.000 1.188 440 D CA 0.035 53.573 54.000 -0.771 0.000 0.876 440 D CB 2.190 42.773 40.800 -0.361 0.000 1.334 440 D HN 0.739 nan 8.370 nan 0.000 0.540 441 S N 3.258 118.595 115.700 -0.605 0.000 2.447 441 S HA -0.111 4.360 4.470 0.002 0.000 0.233 441 S C 1.272 175.817 174.600 -0.092 0.000 1.006 441 S CA 0.692 58.760 58.200 -0.221 0.000 0.957 441 S CB 0.129 63.383 63.200 0.091 0.000 0.773 441 S HN 0.653 nan 8.310 nan 0.000 0.507 442 K N -0.307 120.031 120.400 -0.105 0.000 3.615 442 K HA -0.183 4.138 4.320 0.002 0.000 0.269 442 K C 0.188 176.800 176.600 0.020 0.000 1.107 442 K CA 1.548 57.806 56.287 -0.049 0.000 1.059 442 K CB -1.095 31.372 32.500 -0.056 0.000 1.317 442 K HN 0.738 nan 8.250 nan 0.000 0.494 443 R N 1.522 122.072 120.500 0.084 0.000 2.476 443 R HA 0.256 4.598 4.340 0.002 0.000 0.305 443 R C -0.506 175.924 176.300 0.215 0.000 0.965 443 R CA -0.058 56.130 56.100 0.145 0.000 0.867 443 R CB 0.768 31.181 30.300 0.188 0.000 1.176 443 R HN 0.147 nan 8.270 nan 0.000 0.447 444 N N 3.386 122.190 118.700 0.173 0.000 2.607 444 N HA -0.156 4.585 4.740 0.002 0.000 0.285 444 N C 0.195 175.797 175.510 0.152 0.000 1.151 444 N CA 0.694 53.849 53.050 0.175 0.000 0.749 444 N CB -0.341 38.295 38.487 0.249 0.000 0.923 444 N HN 0.510 nan 8.380 nan 0.000 0.552 445 V N 1.275 121.241 119.914 0.087 0.000 2.626 445 V HA 0.029 4.151 4.120 0.002 0.000 0.252 445 V C 2.009 178.113 176.094 0.017 0.000 1.067 445 V CA 1.791 64.124 62.300 0.055 0.000 1.081 445 V CB -1.304 30.531 31.823 0.021 0.000 0.686 445 V HN 1.069 nan 8.190 nan 0.000 0.468 446 G N -0.394 108.408 108.800 0.004 0.000 2.598 446 G HA2 0.028 3.989 3.960 0.002 0.000 0.244 446 G HA3 0.028 3.989 3.960 0.002 0.000 0.244 446 G C -0.071 174.830 174.900 0.000 0.000 1.302 446 G CA -0.087 45.002 45.100 -0.019 0.000 0.903 446 G HN 1.272 nan 8.290 nan 0.000 0.575 447 A N -1.184 121.637 122.820 0.002 0.000 2.322 447 A HA 0.927 5.248 4.320 0.002 0.000 0.327 447 A C 0.668 178.275 177.584 0.037 0.000 1.134 447 A CA 0.356 52.404 52.037 0.019 0.000 0.831 447 A CB 1.320 20.331 19.000 0.018 0.000 1.288 447 A HN 2.374 nan 8.150 nan 0.000 0.472 448 V N 0.397 120.340 119.914 0.048 0.000 2.521 448 V HA 0.475 4.596 4.120 0.002 0.000 0.286 448 V C 0.726 176.875 176.094 0.092 0.000 1.034 448 V CA 0.804 63.150 62.300 0.077 0.000 1.045 448 V CB 0.388 32.254 31.823 0.071 0.000 0.974 448 V HN 1.280 nan 8.190 nan 0.000 0.480 449 S N 1.857 117.641 115.700 0.140 0.000 2.687 449 S HA 0.245 4.717 4.470 0.002 0.000 0.247 449 S C -0.277 174.479 174.600 0.260 0.000 1.050 449 S CA -0.391 57.903 58.200 0.157 0.000 1.063 449 S CB -0.030 63.253 63.200 0.137 0.000 1.039 449 S HN 0.941 nan 8.310 nan 0.000 0.580 450 W N 1.874 123.205 121.300 0.051 0.000 2.830 450 W HA 0.643 5.304 4.660 0.001 0.000 0.335 450 W C -2.194 174.358 176.519 0.055 0.000 1.043 450 W CA -0.369 57.014 57.345 0.063 0.000 1.239 450 W CB 1.657 31.174 29.460 0.094 0.000 1.378 450 W HN -0.009 nan 8.180 nan 0.000 0.456 451 D N 2.603 122.889 120.400 -0.189 0.000 2.549 451 D HA 0.149 4.791 4.640 0.002 0.000 0.251 451 D C 1.157 177.055 176.300 -0.671 0.000 1.153 451 D CA 0.025 53.886 54.000 -0.232 0.000 0.861 451 D CB 2.089 42.814 40.800 -0.125 0.000 1.207 451 D HN 0.392 nan 8.370 nan 0.000 0.543 452 S N 3.838 119.167 115.700 -0.618 0.000 2.387 452 S HA -0.191 4.281 4.470 0.002 0.000 0.230 452 S C 2.043 176.353 174.600 -0.483 0.000 1.035 452 S CA 0.410 58.211 58.200 -0.665 0.000 1.014 452 S CB -0.116 62.963 63.200 -0.202 0.000 0.836 452 S HN 0.592 nan 8.310 nan 0.000 0.466 453 I N 3.296 123.697 120.570 -0.281 0.000 2.399 453 I HA -0.159 4.012 4.170 0.002 0.000 0.254 453 I C 1.722 177.714 176.117 -0.209 0.000 1.146 453 I CA 1.178 62.367 61.300 -0.185 0.000 1.412 453 I CB -1.379 36.576 38.000 -0.074 0.000 1.076 453 I HN 0.327 nan 8.210 nan 0.000 0.432 454 D N 0.099 120.337 120.400 -0.270 0.000 2.219 454 D HA -0.156 4.485 4.640 0.002 0.000 0.205 454 D C 2.131 178.286 176.300 -0.242 0.000 0.970 454 D CA 1.000 54.859 54.000 -0.235 0.000 0.851 454 D CB 0.075 40.721 40.800 -0.257 0.000 0.943 454 D HN 0.519 nan 8.370 nan 0.000 0.488 455 Q N -0.529 119.075 119.800 -0.327 0.000 2.349 455 Q HA 0.218 4.559 4.340 0.002 0.000 0.209 455 Q C 0.572 176.397 176.000 -0.292 0.000 0.920 455 Q CA 0.315 55.943 55.803 -0.291 0.000 0.901 455 Q CB 1.016 29.559 28.738 -0.325 0.000 1.021 455 Q HN 0.141 nan 8.270 nan 0.000 0.519 456 L N 2.196 123.208 121.223 -0.353 0.000 2.502 456 L HA 0.426 4.767 4.340 0.002 0.000 0.247 456 L C -2.466 174.317 176.870 -0.144 0.000 1.180 456 L CA -1.890 52.767 54.840 -0.305 0.000 0.956 456 L CB 0.833 42.556 42.059 -0.561 0.000 1.282 456 L HN -0.132 nan 8.230 nan 0.000 0.470 457 P HA 0.113 nan 4.420 nan 0.000 0.271 457 P C -2.482 174.830 177.300 0.021 0.000 1.238 457 P CA -0.806 62.272 63.100 -0.038 0.000 0.794 457 P CB -0.121 31.554 31.700 -0.042 0.000 0.959 458 P HA 0.187 nan 4.420 nan 0.000 0.279 458 P C 0.379 177.683 177.300 0.007 0.000 1.252 458 P CA -0.135 62.990 63.100 0.042 0.000 0.811 458 P CB 0.609 32.335 31.700 0.043 0.000 1.035 459 E N -0.358 119.828 120.200 -0.023 0.000 2.110 459 E HA -0.069 4.282 4.350 0.002 0.000 0.193 459 E C 0.205 176.794 176.600 -0.018 0.000 0.988 459 E CA 1.253 57.638 56.400 -0.025 0.000 0.804 459 E CB -0.128 29.535 29.700 -0.061 0.000 0.745 459 E HN 0.587 nan 8.360 nan 0.000 0.458 460 T N -1.826 112.712 114.554 -0.026 0.000 2.881 460 T HA 0.254 4.605 4.350 0.002 0.000 0.290 460 T C 0.470 175.163 174.700 -0.013 0.000 1.000 460 T CA -0.759 61.329 62.100 -0.019 0.000 0.978 460 T CB 1.765 70.619 68.868 -0.023 0.000 0.997 460 T HN -0.047 nan 8.240 nan 0.000 0.443 461 T N -1.254 113.294 114.554 -0.010 0.000 3.107 461 T HA 0.146 4.497 4.350 0.002 0.000 0.249 461 T C 0.654 175.352 174.700 -0.004 0.000 1.096 461 T CA 0.147 62.243 62.100 -0.006 0.000 1.012 461 T CB -0.202 68.659 68.868 -0.011 0.000 0.977 461 T HN 0.507 nan 8.240 nan 0.000 0.527 462 D N 1.638 122.034 120.400 -0.006 0.000 2.106 462 D HA 0.086 4.727 4.640 0.002 0.000 0.203 462 D C 1.089 177.387 176.300 -0.003 0.000 0.977 462 D CA 0.841 54.840 54.000 -0.003 0.000 0.844 462 D CB 0.149 40.947 40.800 -0.002 0.000 1.002 462 D HN 0.572 nan 8.370 nan 0.000 0.461 463 E N 0.846 121.039 120.200 -0.012 0.000 2.342 463 E HA 0.255 4.606 4.350 0.002 0.000 0.257 463 E C -2.139 174.451 176.600 -0.018 0.000 1.150 463 E CA -1.579 54.810 56.400 -0.018 0.000 0.926 463 E CB 0.441 30.119 29.700 -0.038 0.000 1.074 463 E HN 0.136 nan 8.360 nan 0.000 0.449 464 P HA -0.001 nan 4.420 nan 0.000 0.275 464 P C 0.771 178.046 177.300 -0.042 0.000 1.228 464 P CA -0.009 63.084 63.100 -0.011 0.000 0.786 464 P CB 0.939 32.639 31.700 -0.001 0.000 0.927 465 L N 1.434 122.656 121.223 -0.002 0.000 2.064 465 L HA -0.241 4.100 4.340 0.002 0.000 0.216 465 L C 2.418 179.129 176.870 -0.266 0.000 1.077 465 L CA 2.057 56.895 54.840 -0.003 0.000 0.766 465 L CB -0.515 41.654 42.059 0.184 0.000 0.890 465 L HN 0.574 nan 8.230 nan 0.000 0.435 466 E N -0.006 119.903 120.200 -0.485 0.000 2.401 466 E HA -0.237 4.114 4.350 0.002 0.000 0.199 466 E C 1.486 177.731 176.600 -0.592 0.000 1.023 466 E CA 1.107 56.982 56.400 -0.873 0.000 0.859 466 E CB 0.014 29.413 29.700 -0.501 0.000 0.780 466 E HN 0.569 nan 8.360 nan 0.000 0.523 467 K N -0.226 119.976 120.400 -0.330 0.000 2.306 467 K HA 0.158 4.479 4.320 0.002 0.000 0.200 467 K C 1.982 178.443 176.600 -0.230 0.000 1.083 467 K CA 0.642 56.760 56.287 -0.281 0.000 0.959 467 K CB 0.381 32.770 32.500 -0.186 0.000 0.994 467 K HN 0.151 nan 8.250 nan 0.000 0.492 468 G N 1.392 110.104 108.800 -0.146 0.000 3.042 468 G HA2 -0.037 3.924 3.960 0.002 0.000 0.212 468 G HA3 -0.037 3.924 3.960 0.002 0.000 0.212 468 G C 0.362 175.190 174.900 -0.120 0.000 1.166 468 G CA -0.166 44.855 45.100 -0.132 0.000 0.767 468 G HN 0.269 nan 8.290 nan 0.000 0.546 469 Y N 1.079 121.310 120.300 -0.116 0.000 2.607 469 Y HA 0.289 4.840 4.550 0.002 0.000 0.348 469 Y C 1.370 177.237 175.900 -0.054 0.000 1.261 469 Y CA -0.210 57.872 58.100 -0.031 0.000 1.480 469 Y CB 0.669 39.156 38.460 0.047 0.000 1.358 469 Y HN -0.005 nan 8.280 nan 0.000 0.630 470 S N -0.948 114.795 115.700 0.073 0.000 2.505 470 S HA 0.282 4.753 4.470 0.002 0.000 0.216 470 S C -0.493 173.910 174.600 -0.328 0.000 1.018 470 S CA 0.065 58.145 58.200 -0.198 0.000 0.911 470 S CB -0.330 62.833 63.200 -0.062 0.000 0.818 470 S HN 0.847 nan 8.310 nan 0.000 0.497 471 H N 1.003 120.227 119.070 0.258 0.000 2.980 471 H HA 0.610 5.167 4.556 0.002 0.000 0.367 471 H C -0.967 174.739 175.328 0.631 0.000 1.206 471 H CA -0.879 55.387 56.048 0.362 0.000 1.126 471 H CB 1.490 31.406 29.762 0.257 0.000 1.838 471 H HN 0.374 nan 8.280 nan 0.000 0.552 472 Q N 1.178 121.444 119.800 0.776 0.000 2.413 472 Q HA 0.480 4.821 4.340 0.002 0.000 0.276 472 Q C -1.166 175.107 176.000 0.454 0.000 1.099 472 Q CA -1.094 55.079 55.803 0.617 0.000 0.814 472 Q CB 2.517 31.524 28.738 0.448 0.000 1.379 472 Q HN 0.442 nan 8.270 nan 0.000 0.436 473 L N 2.264 123.482 121.223 -0.008 0.000 2.455 473 L HA 0.096 4.437 4.340 0.002 0.000 0.272 473 L C 0.671 177.396 176.870 -0.242 0.000 1.174 473 L CA 0.401 54.924 54.840 -0.527 0.000 0.869 473 L CB 0.443 42.103 42.059 -0.666 0.000 1.130 473 L HN 0.961 nan 8.230 nan 0.000 0.474 474 N N 2.474 121.041 118.700 -0.221 0.000 2.419 474 N HA 0.014 4.755 4.740 0.002 0.000 0.216 474 N C -0.815 174.695 175.510 0.000 0.000 1.118 474 N CA -0.122 52.881 53.050 -0.079 0.000 0.850 474 N CB 0.976 39.437 38.487 -0.043 0.000 1.292 474 N HN 0.464 nan 8.380 nan 0.000 0.467 475 Y N 0.311 120.466 120.300 -0.242 0.000 2.571 475 Y HA 0.486 5.037 4.550 0.002 0.000 0.341 475 Y C -1.319 174.471 175.900 -0.184 0.000 1.076 475 Y CA -0.688 57.299 58.100 -0.188 0.000 1.029 475 Y CB 1.943 40.315 38.460 -0.148 0.000 1.308 475 Y HN -0.316 nan 8.280 nan 0.000 0.461 476 V N 5.624 125.309 119.914 -0.382 0.000 2.577 476 V HA 0.562 4.684 4.120 0.002 0.000 0.303 476 V C -0.844 175.015 176.094 -0.392 0.000 1.042 476 V CA -0.717 61.436 62.300 -0.245 0.000 0.872 476 V CB 1.868 33.609 31.823 -0.136 0.000 0.998 476 V HN 0.793 nan 8.190 nan 0.000 0.423 477 M N 4.657 124.031 119.600 -0.376 0.000 2.324 477 M HA 0.542 5.023 4.480 0.002 0.000 0.288 477 M C -1.658 174.177 176.300 -0.775 0.000 1.097 477 M CA -0.139 54.710 55.300 -0.751 0.000 0.928 477 M CB 1.706 33.815 32.600 -0.818 0.000 1.648 477 M HN 0.678 nan 8.290 nan 0.000 0.460 478 C N 4.603 123.381 119.300 -0.870 0.000 2.295 478 C HA 0.625 5.086 4.460 0.002 0.000 0.331 478 C C -0.640 173.869 174.990 -0.801 0.000 1.280 478 C CA -0.418 58.138 59.018 -0.771 0.000 1.746 478 C CB -0.334 26.955 27.740 -0.751 0.000 2.328 478 C HN 0.717 nan 8.230 nan 0.000 0.521 479 F N 2.717 122.443 119.950 -0.374 0.000 2.458 479 F HA 0.611 5.139 4.527 0.002 0.000 0.330 479 F C 0.332 175.981 175.800 -0.252 0.000 1.082 479 F CA -0.708 57.109 58.000 -0.305 0.000 0.995 479 F CB 0.771 39.595 39.000 -0.293 0.000 1.170 479 F HN 0.232 nan 8.300 nan 0.000 0.478 480 L N 3.425 124.630 121.223 -0.030 0.000 2.312 480 L HA 0.424 4.765 4.340 0.002 0.000 0.281 480 L C -0.011 176.828 176.870 -0.051 0.000 1.070 480 L CA -0.560 54.246 54.840 -0.057 0.000 0.805 480 L CB 1.241 43.263 42.059 -0.061 0.000 1.174 480 L HN 0.586 nan 8.230 nan 0.000 0.434 481 M N 1.881 121.440 119.600 -0.069 0.000 2.198 481 M HA 0.139 4.620 4.480 0.002 0.000 0.315 481 M C 0.177 176.465 176.300 -0.019 0.000 1.134 481 M CA -0.020 55.236 55.300 -0.075 0.000 1.171 481 M CB 0.373 32.920 32.600 -0.089 0.000 1.413 481 M HN 0.525 nan 8.290 nan 0.000 0.467 482 Q N 0.389 120.193 119.800 0.008 0.000 2.361 482 Q HA 0.143 4.484 4.340 0.002 0.000 0.276 482 Q C 0.957 177.031 176.000 0.122 0.000 1.022 482 Q CA 0.743 56.562 55.803 0.027 0.000 0.898 482 Q CB 0.401 29.112 28.738 -0.045 0.000 1.246 482 Q HN 1.036 nan 8.270 nan 0.000 0.410 483 G N 2.038 110.879 108.800 0.068 0.000 2.258 483 G HA2 -0.363 3.598 3.960 0.002 0.000 0.274 483 G HA3 -0.363 3.598 3.960 0.002 0.000 0.274 483 G C 0.204 175.137 174.900 0.055 0.000 1.021 483 G CA 0.386 45.538 45.100 0.087 0.000 0.798 483 G HN 0.669 nan 8.290 nan 0.000 0.507 484 S N -1.656 114.060 115.700 0.027 0.000 3.280 484 S HA -0.272 4.199 4.470 0.002 0.000 0.349 484 S C 1.619 176.205 174.600 -0.023 0.000 0.936 484 S CA 1.336 59.535 58.200 -0.000 0.000 1.301 484 S CB -0.489 62.712 63.200 0.003 0.000 0.907 484 S HN 0.942 nan 8.310 nan 0.000 0.516 485 R N 0.415 120.876 120.500 -0.065 0.000 2.276 485 R HA 0.282 4.623 4.340 0.002 0.000 0.196 485 R C 1.053 177.274 176.300 -0.133 0.000 0.961 485 R CA 0.902 56.913 56.100 -0.150 0.000 1.024 485 R CB 0.170 30.208 30.300 -0.435 0.000 0.940 485 R HN 0.640 nan 8.270 nan 0.000 0.480 486 G N -1.550 107.177 108.800 -0.122 0.000 2.340 486 G HA2 0.139 4.100 3.960 0.002 0.000 0.299 486 G HA3 0.139 4.100 3.960 0.002 0.000 0.299 486 G C -1.492 173.351 174.900 -0.095 0.000 1.291 486 G CA -0.634 44.363 45.100 -0.171 0.000 0.841 486 G HN -0.027 nan 8.290 nan 0.000 0.500 487 T N 0.689 115.190 114.554 -0.088 0.000 2.824 487 T HA 0.610 4.961 4.350 0.002 0.000 0.282 487 T C -0.387 174.233 174.700 -0.133 0.000 0.993 487 T CA -0.158 61.892 62.100 -0.084 0.000 0.967 487 T CB 1.128 69.976 68.868 -0.033 0.000 0.960 487 T HN 0.444 nan 8.240 nan 0.000 0.441 488 I N 5.519 126.003 120.570 -0.144 0.000 2.354 488 I HA 0.325 4.496 4.170 0.002 0.000 0.286 488 I C -2.466 173.557 176.117 -0.158 0.000 1.007 488 I CA -2.450 58.779 61.300 -0.119 0.000 1.167 488 I CB 1.812 39.773 38.000 -0.065 0.000 1.320 488 I HN 0.280 nan 8.210 nan 0.000 0.458 489 P HA 0.301 nan 4.420 nan 0.000 0.284 489 P C -0.914 176.297 177.300 -0.148 0.000 1.253 489 P CA -0.381 62.477 63.100 -0.404 0.000 0.800 489 P CB 1.478 32.786 31.700 -0.654 0.000 0.961 490 V N 4.237 124.112 119.914 -0.065 0.000 2.531 490 V HA 0.373 4.494 4.120 0.002 0.000 0.301 490 V C -0.175 175.981 176.094 0.104 0.000 1.034 490 V CA -0.572 61.794 62.300 0.108 0.000 0.865 490 V CB 1.611 33.592 31.823 0.263 0.000 0.995 490 V HN 0.345 nan 8.190 nan 0.000 0.424 491 L N 3.689 125.035 121.223 0.205 0.000 2.307 491 L HA 0.657 4.998 4.340 0.002 0.000 0.284 491 L C 0.098 177.115 176.870 0.244 0.000 1.023 491 L CA -0.296 54.648 54.840 0.174 0.000 0.810 491 L CB 1.973 44.173 42.059 0.235 0.000 1.231 491 L HN 0.545 nan 8.230 nan 0.000 0.423 492 T N 0.703 115.296 114.554 0.064 0.000 2.824 492 T HA 0.529 4.881 4.350 0.002 0.000 0.280 492 T C -0.971 173.704 174.700 -0.041 0.000 0.995 492 T CA -0.357 61.837 62.100 0.157 0.000 1.009 492 T CB 0.931 69.891 68.868 0.153 0.000 0.955 492 T HN 0.314 nan 8.240 nan 0.000 0.452 493 W N 1.276 122.676 121.300 0.168 0.000 2.799 493 W HA 0.627 5.288 4.660 0.002 0.000 0.349 493 W C 0.132 176.800 176.519 0.249 0.000 1.100 493 W CA -0.809 56.655 57.345 0.198 0.000 1.174 493 W CB 1.092 30.655 29.460 0.171 0.000 1.427 493 W HN 0.694 nan 8.180 nan 0.000 0.547 494 T N -2.513 112.385 114.554 0.573 0.000 2.907 494 T HA 0.343 4.695 4.350 0.002 0.000 0.292 494 T C -0.779 174.262 174.700 0.570 0.000 1.043 494 T CA -0.762 61.656 62.100 0.529 0.000 1.003 494 T CB 1.670 70.798 68.868 0.433 0.000 1.084 494 T HN 0.518 nan 8.240 nan 0.000 0.483 495 H N 1.526 120.789 119.070 0.322 0.000 2.815 495 H HA 0.148 4.705 4.556 0.002 0.000 0.350 495 H C 1.207 176.587 175.328 0.087 0.000 1.080 495 H CA 0.273 56.325 56.048 0.006 0.000 1.433 495 H CB 1.280 31.008 29.762 -0.057 0.000 1.432 495 H HN 0.871 nan 8.280 nan 0.000 0.592 496 K N 2.346 122.494 120.400 -0.421 0.000 2.211 496 K HA -0.141 4.180 4.320 0.002 0.000 0.204 496 K C 1.719 178.307 176.600 -0.020 0.000 1.047 496 K CA 1.392 57.566 56.287 -0.189 0.000 0.935 496 K CB 0.081 32.275 32.500 -0.510 0.000 0.728 496 K HN 0.616 nan 8.250 nan 0.000 0.452 497 S N 0.016 115.800 115.700 0.139 0.000 2.474 497 S HA -0.022 4.449 4.470 0.002 0.000 0.235 497 S C 0.807 175.481 174.600 0.123 0.000 0.997 497 S CA 0.113 58.419 58.200 0.177 0.000 0.949 497 S CB -0.366 62.983 63.200 0.249 0.000 0.766 497 S HN 0.022 nan 8.310 nan 0.000 0.517 498 V N 3.527 123.517 119.914 0.127 0.000 2.493 498 V HA 0.117 4.238 4.120 0.002 0.000 0.292 498 V C 0.249 176.413 176.094 0.118 0.000 1.016 498 V CA -0.024 62.293 62.300 0.029 0.000 1.097 498 V CB 0.104 31.856 31.823 -0.118 0.000 0.947 498 V HN 0.396 nan 8.190 nan 0.000 0.479 499 D N 3.969 124.419 120.400 0.083 0.000 2.380 499 D HA 0.104 4.745 4.640 0.002 0.000 0.230 499 D C 0.567 176.956 176.300 0.147 0.000 1.154 499 D CA -0.465 53.627 54.000 0.153 0.000 0.859 499 D CB 0.656 41.534 40.800 0.130 0.000 1.045 499 D HN 0.382 nan 8.370 nan 0.000 0.495 500 F N 3.842 123.805 119.950 0.023 0.000 2.161 500 F HA -0.133 4.395 4.527 0.002 0.000 0.300 500 F C 1.136 176.779 175.800 -0.261 0.000 1.089 500 F CA 1.389 59.271 58.000 -0.196 0.000 1.282 500 F CB -0.170 38.455 39.000 -0.626 0.000 1.010 500 F HN 0.361 nan 8.300 nan 0.000 0.485 501 F N 0.559 120.511 119.950 0.004 0.000 2.748 501 F HA 0.056 4.584 4.527 0.002 0.000 0.299 501 F C 0.828 176.600 175.800 -0.048 0.000 1.154 501 F CA 0.476 58.439 58.000 -0.062 0.000 1.446 501 F CB -1.029 38.025 39.000 0.090 0.000 1.112 501 F HN -0.079 nan 8.300 nan 0.000 0.584 502 N N 0.926 119.671 118.700 0.074 0.000 2.705 502 N HA -0.255 4.486 4.740 0.002 0.000 0.255 502 N C -0.064 175.474 175.510 0.047 0.000 1.008 502 N CA 0.528 53.611 53.050 0.054 0.000 0.742 502 N CB -1.241 37.279 38.487 0.055 0.000 0.906 502 N HN 0.372 nan 8.380 nan 0.000 0.541 503 M N 1.121 120.765 119.600 0.074 0.000 2.162 503 M HA 0.195 4.676 4.480 0.002 0.000 0.356 503 M C -0.030 176.238 176.300 -0.053 0.000 1.303 503 M CA -0.342 54.969 55.300 0.018 0.000 1.116 503 M CB 0.448 33.087 32.600 0.064 0.000 1.632 503 M HN -0.018 nan 8.290 nan 0.000 0.469 504 I N 4.850 125.320 120.570 -0.167 0.000 2.308 504 I HA 0.104 4.275 4.170 0.002 0.000 0.293 504 I C 0.270 176.330 176.117 -0.095 0.000 1.078 504 I CA -0.060 61.091 61.300 -0.249 0.000 1.292 504 I CB -0.347 37.281 38.000 -0.620 0.000 1.423 504 I HN 0.651 nan 8.210 nan 0.000 0.493 505 D N 4.420 124.824 120.400 0.007 0.000 2.425 505 D HA -0.009 4.632 4.640 0.002 0.000 0.247 505 D C 1.163 177.542 176.300 0.132 0.000 1.147 505 D CA 0.135 54.172 54.000 0.063 0.000 0.879 505 D CB 1.308 42.157 40.800 0.081 0.000 1.179 505 D HN 0.605 nan 8.370 nan 0.000 0.456 506 S N 3.184 118.947 115.700 0.105 0.000 2.515 506 S HA -0.089 4.382 4.470 0.002 0.000 0.231 506 S C 1.135 175.784 174.600 0.082 0.000 0.987 506 S CA 0.575 58.840 58.200 0.109 0.000 0.936 506 S CB 0.259 63.481 63.200 0.036 0.000 0.766 506 S HN 0.380 nan 8.310 nan 0.000 0.528 507 K N 0.509 120.960 120.400 0.085 0.000 2.399 507 K HA 0.369 4.690 4.320 0.002 0.000 0.196 507 K C 0.341 176.992 176.600 0.085 0.000 1.103 507 K CA 0.329 56.657 56.287 0.068 0.000 0.986 507 K CB 0.467 33.003 32.500 0.059 0.000 0.952 507 K HN 0.281 nan 8.250 nan 0.000 0.541 508 K N 0.402 120.869 120.400 0.112 0.000 2.245 508 K HA 0.458 4.779 4.320 0.002 0.000 0.234 508 K C -0.431 176.269 176.600 0.167 0.000 1.021 508 K CA -0.813 55.552 56.287 0.130 0.000 0.898 508 K CB 1.584 34.159 32.500 0.124 0.000 1.163 508 K HN -0.158 nan 8.250 nan 0.000 0.459 509 I N 1.706 122.386 120.570 0.184 0.000 2.352 509 I HA 0.083 4.254 4.170 0.002 0.000 0.290 509 I C -0.278 175.969 176.117 0.217 0.000 1.036 509 I CA -0.037 61.396 61.300 0.222 0.000 1.336 509 I CB 1.256 39.416 38.000 0.267 0.000 1.407 509 I HN 0.453 nan 8.210 nan 0.000 0.497 510 T N 6.408 121.108 114.554 0.243 0.000 2.749 510 T HA 0.262 4.614 4.350 0.002 0.000 0.287 510 T C -0.231 174.615 174.700 0.243 0.000 0.970 510 T CA -0.590 61.643 62.100 0.222 0.000 0.980 510 T CB 0.877 69.868 68.868 0.205 0.000 0.924 510 T HN 0.476 nan 8.240 nan 0.000 0.456 511 Q N 2.809 122.708 119.800 0.164 0.000 2.322 511 Q HA 0.410 4.751 4.340 0.002 0.000 0.256 511 Q C -0.797 175.274 176.000 0.118 0.000 0.960 511 Q CA -0.334 55.546 55.803 0.127 0.000 0.934 511 Q CB 1.326 30.103 28.738 0.066 0.000 1.200 511 Q HN 0.506 nan 8.270 nan 0.000 0.435 512 L N 6.101 127.408 121.223 0.139 0.000 2.295 512 L HA 0.393 4.734 4.340 0.002 0.000 0.281 512 L C -2.344 174.568 176.870 0.070 0.000 1.018 512 L CA -2.091 52.827 54.840 0.129 0.000 0.841 512 L CB 1.514 43.723 42.059 0.249 0.000 1.218 512 L HN 0.296 nan 8.230 nan 0.000 0.424 513 P HA -0.014 nan 4.420 nan 0.000 0.271 513 P C 0.773 178.090 177.300 0.027 0.000 1.220 513 P CA -0.357 62.754 63.100 0.017 0.000 0.768 513 P CB 0.791 32.482 31.700 -0.015 0.000 0.848 514 L N 4.090 125.330 121.223 0.028 0.000 2.265 514 L HA -0.113 4.228 4.340 0.002 0.000 0.215 514 L C 1.967 178.859 176.870 0.036 0.000 1.117 514 L CA 1.858 56.713 54.840 0.025 0.000 0.782 514 L CB -1.064 41.005 42.059 0.017 0.000 0.914 514 L HN 0.264 nan 8.230 nan 0.000 0.441 515 V N -3.517 116.422 119.914 0.042 0.000 3.241 515 V HA -0.116 4.005 4.120 0.002 0.000 0.269 515 V C 2.013 178.177 176.094 0.115 0.000 1.151 515 V CA 0.906 63.246 62.300 0.067 0.000 1.158 515 V CB -0.782 31.076 31.823 0.059 0.000 0.764 515 V HN 0.221 nan 8.190 nan 0.000 0.508 516 K N 1.307 121.756 120.400 0.082 0.000 2.487 516 K HA 0.423 4.744 4.320 0.002 0.000 0.192 516 K C 1.074 177.752 176.600 0.130 0.000 1.027 516 K CA 0.684 57.029 56.287 0.097 0.000 1.054 516 K CB -0.104 32.410 32.500 0.023 0.000 0.824 516 K HN 0.672 nan 8.250 nan 0.000 0.510 517 A N 0.976 123.854 122.820 0.096 0.000 2.429 517 A HA 0.119 4.440 4.320 0.002 0.000 0.242 517 A C 0.795 178.453 177.584 0.124 0.000 1.088 517 A CA 0.080 52.152 52.037 0.059 0.000 0.784 517 A CB -0.027 18.955 19.000 -0.029 0.000 1.038 517 A HN 0.424 nan 8.150 nan 0.000 0.501 518 Y N -1.355 118.996 120.300 0.087 0.000 2.445 518 Y HA 0.512 5.063 4.550 0.002 0.000 0.247 518 Y C 0.368 176.311 175.900 0.072 0.000 1.129 518 Y CA -0.012 58.138 58.100 0.084 0.000 1.251 518 Y CB 0.240 38.744 38.460 0.072 0.000 1.176 518 Y HN 0.478 nan 8.280 nan 0.000 0.522 519 K N 1.575 121.762 120.400 -0.354 0.000 2.553 519 K HA 0.485 4.806 4.320 0.002 0.000 0.250 519 K C -1.939 174.564 176.600 -0.161 0.000 0.953 519 K CA -0.520 55.630 56.287 -0.228 0.000 0.800 519 K CB 1.579 33.860 32.500 -0.365 0.000 1.243 519 K HN 0.255 nan 8.250 nan 0.000 0.435 520 L N 3.953 125.139 121.223 -0.061 0.000 2.334 520 L HA 0.535 4.876 4.340 0.002 0.000 0.272 520 L C -0.229 176.624 176.870 -0.029 0.000 1.020 520 L CA -0.654 54.162 54.840 -0.041 0.000 0.812 520 L CB 1.852 43.905 42.059 -0.010 0.000 1.264 520 L HN 0.752 nan 8.230 nan 0.000 0.439 521 Q N -0.233 119.552 119.800 -0.026 0.000 2.648 521 Q HA 0.364 4.705 4.340 0.002 0.000 0.300 521 Q C -0.432 175.560 176.000 -0.014 0.000 0.954 521 Q CA -0.838 54.955 55.803 -0.017 0.000 0.757 521 Q CB 1.743 30.469 28.738 -0.021 0.000 1.482 521 Q HN 0.505 nan 8.270 nan 0.000 0.437 522 S N -0.633 115.061 115.700 -0.010 0.000 3.521 522 S HA -0.171 4.300 4.470 0.002 0.000 0.328 522 S C 0.854 175.446 174.600 -0.013 0.000 1.165 522 S CA 1.666 59.860 58.200 -0.011 0.000 0.941 522 S CB -1.843 61.349 63.200 -0.014 0.000 0.951 522 S HN 1.824 nan 8.310 nan 0.000 0.539 523 G N -0.658 108.137 108.800 -0.009 0.000 2.147 523 G HA2 0.024 3.985 3.960 0.002 0.000 0.244 523 G HA3 0.024 3.985 3.960 0.002 0.000 0.244 523 G C 0.123 175.015 174.900 -0.013 0.000 1.005 523 G CA 0.338 45.432 45.100 -0.010 0.000 0.713 523 G HN 1.854 nan 8.290 nan 0.000 0.515 524 A N -0.329 122.483 122.820 -0.012 0.000 2.322 524 A HA 0.918 5.239 4.320 0.002 0.000 0.269 524 A C 0.711 178.294 177.584 -0.001 0.000 1.094 524 A CA 0.828 52.857 52.037 -0.013 0.000 0.807 524 A CB 0.917 19.910 19.000 -0.012 0.000 1.047 524 A HN 2.106 nan 8.150 nan 0.000 0.487 525 S N -0.299 115.404 115.700 0.004 0.000 2.570 525 S HA 0.587 5.058 4.470 0.002 0.000 0.270 525 S C -0.925 173.695 174.600 0.033 0.000 1.149 525 S CA -0.734 57.478 58.200 0.020 0.000 0.837 525 S CB 0.895 64.108 63.200 0.021 0.000 1.124 525 S HN 0.909 nan 8.310 nan 0.000 0.465 526 V N 1.726 121.664 119.914 0.039 0.000 2.530 526 V HA 0.539 4.660 4.120 0.002 0.000 0.282 526 V C -0.101 176.023 176.094 0.049 0.000 1.048 526 V CA -0.301 62.023 62.300 0.040 0.000 0.997 526 V CB 0.942 32.781 31.823 0.026 0.000 0.987 526 V HN 0.759 nan 8.190 nan 0.000 0.477 527 V N 3.359 123.312 119.914 0.065 0.000 2.864 527 V HA 0.730 4.851 4.120 0.002 0.000 0.314 527 V C 0.466 176.592 176.094 0.052 0.000 1.073 527 V CA -0.818 61.529 62.300 0.079 0.000 0.956 527 V CB 2.200 34.110 31.823 0.145 0.000 1.023 527 V HN 1.050 nan 8.190 nan 0.000 0.435 528 A N 2.332 125.178 122.820 0.044 0.000 2.540 528 A HA 0.509 4.830 4.320 0.002 0.000 0.239 528 A C 0.802 178.380 177.584 -0.011 0.000 1.061 528 A CA 0.686 52.735 52.037 0.020 0.000 0.758 528 A CB -0.202 18.819 19.000 0.035 0.000 0.991 528 A HN 1.256 nan 8.150 nan 0.000 0.502 529 G N 1.804 110.573 108.800 -0.050 0.000 2.569 529 G HA2 0.449 4.410 3.960 0.002 0.000 0.249 529 G HA3 0.449 4.410 3.960 0.002 0.000 0.249 529 G C -1.154 173.643 174.900 -0.172 0.000 1.216 529 G CA -0.827 44.199 45.100 -0.124 0.000 0.845 529 G HN 0.600 nan 8.290 nan 0.000 0.568 530 P HA -0.018 nan 4.420 nan 0.000 0.244 530 P C 0.506 177.629 177.300 -0.296 0.000 1.211 530 P CA 0.011 62.913 63.100 -0.330 0.000 0.760 530 P CB 0.321 31.701 31.700 -0.533 0.000 0.961 531 R N -2.603 117.733 120.500 -0.275 0.000 3.785 531 R HA -0.184 4.157 4.340 0.002 0.000 0.476 531 R C 0.731 176.954 176.300 -0.129 0.000 0.905 531 R CA 1.617 57.618 56.100 -0.165 0.000 1.412 531 R CB -3.327 26.947 30.300 -0.043 0.000 2.077 531 R HN 0.451 nan 8.270 nan 0.000 0.504 532 F N -0.846 119.055 119.950 -0.082 0.000 2.688 532 F HA 0.394 4.922 4.527 0.002 0.000 0.310 532 F C 1.415 177.143 175.800 -0.120 0.000 1.098 532 F CA 0.271 58.216 58.000 -0.092 0.000 1.228 532 F CB 0.031 39.036 39.000 0.007 0.000 1.042 532 F HN -0.088 nan 8.300 nan 0.000 0.557 533 T N -3.794 110.577 114.554 -0.306 0.000 3.054 533 T HA 0.489 4.840 4.350 0.002 0.000 0.255 533 T C 1.673 176.276 174.700 -0.163 0.000 1.035 533 T CA 0.374 62.337 62.100 -0.227 0.000 0.941 533 T CB 0.062 68.703 68.868 -0.377 0.000 1.026 533 T HN 0.787 nan 8.240 nan 0.000 0.533 534 G N -0.055 108.651 108.800 -0.158 0.000 2.205 534 G HA2 0.129 4.090 3.960 0.002 0.000 0.261 534 G HA3 0.129 4.090 3.960 0.002 0.000 0.261 534 G C 0.515 175.356 174.900 -0.098 0.000 0.980 534 G CA -0.213 44.806 45.100 -0.134 0.000 0.632 534 G HN 1.468 nan 8.290 nan 0.000 0.533 535 G N -1.286 107.451 108.800 -0.106 0.000 2.428 535 G HA2 0.512 4.473 3.960 0.002 0.000 0.305 535 G HA3 0.512 4.473 3.960 0.002 0.000 0.305 535 G C -1.674 173.175 174.900 -0.085 0.000 1.260 535 G CA 0.227 45.288 45.100 -0.065 0.000 0.853 535 G HN 0.202 nan 8.290 nan 0.000 0.480 536 D N -0.104 120.262 120.400 -0.056 0.000 2.423 536 D HA 0.631 5.273 4.640 0.002 0.000 0.255 536 D C 0.564 176.850 176.300 -0.023 0.000 1.174 536 D CA 0.123 54.094 54.000 -0.049 0.000 1.008 536 D CB 1.620 42.391 40.800 -0.049 0.000 1.101 536 D HN 0.653 nan 8.370 nan 0.000 0.516 537 I N -2.912 117.668 120.570 0.017 0.000 3.239 537 I HA 0.556 4.727 4.170 0.002 0.000 0.314 537 I C -1.066 175.111 176.117 0.100 0.000 1.126 537 I CA -1.116 60.227 61.300 0.072 0.000 0.973 537 I CB 1.644 39.726 38.000 0.137 0.000 1.252 537 I HN 0.001 nan 8.210 nan 0.000 0.463 538 I N 2.036 122.675 120.570 0.116 0.000 2.354 538 I HA 0.324 4.495 4.170 0.002 0.000 0.292 538 I C -0.082 176.088 176.117 0.089 0.000 0.989 538 I CA 0.031 61.381 61.300 0.084 0.000 1.188 538 I CB 1.475 39.504 38.000 0.047 0.000 1.342 538 I HN 0.596 nan 8.210 nan 0.000 0.457 539 Q N 5.664 125.485 119.800 0.034 0.000 2.314 539 Q HA 0.462 4.803 4.340 0.002 0.000 0.259 539 Q C -1.569 174.361 176.000 -0.116 0.000 0.951 539 Q CA -0.514 55.225 55.803 -0.107 0.000 0.909 539 Q CB 1.190 29.883 28.738 -0.075 0.000 1.236 539 Q HN 0.715 nan 8.270 nan 0.000 0.444 540 C N 3.034 122.235 119.300 -0.165 0.000 2.303 540 C HA 0.433 4.894 4.460 0.002 0.000 0.326 540 C C 1.293 176.202 174.990 -0.135 0.000 1.285 540 C CA -0.388 58.569 59.018 -0.101 0.000 1.675 540 C CB 0.706 28.422 27.740 -0.041 0.000 2.289 540 C HN 0.965 nan 8.230 nan 0.000 0.512 541 T N -1.393 113.105 114.554 -0.094 0.000 3.003 541 T HA 0.253 4.604 4.350 0.002 0.000 0.261 541 T C 0.068 174.731 174.700 -0.061 0.000 1.003 541 T CA 0.105 62.153 62.100 -0.087 0.000 0.917 541 T CB 0.204 69.029 68.868 -0.070 0.000 1.084 541 T HN 0.735 nan 8.240 nan 0.000 0.522 542 E N 1.171 121.340 120.200 -0.051 0.000 2.369 542 E HA 0.454 4.805 4.350 0.002 0.000 0.270 542 E C -1.133 175.443 176.600 -0.040 0.000 0.909 542 E CA -1.134 55.242 56.400 -0.041 0.000 0.775 542 E CB 1.189 30.871 29.700 -0.030 0.000 1.270 542 E HN 0.034 nan 8.360 nan 0.000 0.445 543 N N 1.073 119.750 118.700 -0.039 0.000 2.442 543 N HA 0.436 5.177 4.740 0.002 0.000 0.265 543 N C -0.041 175.451 175.510 -0.029 0.000 1.138 543 N CA 0.477 53.503 53.050 -0.041 0.000 0.956 543 N CB 1.355 39.816 38.487 -0.043 0.000 1.067 543 N HN 0.740 nan 8.380 nan 0.000 0.474 544 G N 0.406 109.191 108.800 -0.025 0.000 2.339 544 G HA2 -0.065 3.896 3.960 0.002 0.000 0.275 544 G HA3 -0.065 3.896 3.960 0.002 0.000 0.275 544 G C -0.840 174.055 174.900 -0.009 0.000 1.323 544 G CA -0.789 44.301 45.100 -0.017 0.000 0.927 544 G HN 0.410 nan 8.290 nan 0.000 0.486 545 S N -0.626 115.068 115.700 -0.010 0.000 2.587 545 S HA 0.520 4.991 4.470 0.002 0.000 0.260 545 S C 1.261 175.854 174.600 -0.011 0.000 1.353 545 S CA 1.072 59.265 58.200 -0.011 0.000 0.995 545 S CB 1.218 64.407 63.200 -0.017 0.000 0.912 545 S HN 1.841 nan 8.310 nan 0.000 0.568 546 A N 0.179 122.989 122.820 -0.016 0.000 1.786 546 A HA 0.746 5.067 4.320 0.002 0.000 0.208 546 A C 0.198 177.760 177.584 -0.036 0.000 1.787 546 A CA 0.616 52.644 52.037 -0.016 0.000 1.125 546 A CB -0.111 18.892 19.000 0.005 0.000 1.082 546 A HN 1.087 nan 8.150 nan 0.000 0.534 547 A N -0.703 122.085 122.820 -0.053 0.000 2.549 547 A HA 0.670 4.991 4.320 0.002 0.000 0.297 547 A C -0.938 176.574 177.584 -0.119 0.000 1.061 547 A CA -0.165 51.821 52.037 -0.086 0.000 0.690 547 A CB 1.106 20.067 19.000 -0.065 0.000 1.287 547 A HN 0.243 nan 8.150 nan 0.000 0.402 548 T N 2.011 116.437 114.554 -0.215 0.000 2.815 548 T HA 0.561 4.912 4.350 0.002 0.000 0.289 548 T C -0.674 173.818 174.700 -0.346 0.000 1.000 548 T CA 0.009 61.950 62.100 -0.266 0.000 0.958 548 T CB 0.665 69.319 68.868 -0.357 0.000 0.944 548 T HN 0.644 nan 8.240 nan 0.000 0.442 549 I N 3.329 123.849 120.570 -0.082 0.000 2.474 549 I HA 0.556 4.727 4.170 0.002 0.000 0.294 549 I C -1.247 175.010 176.117 0.233 0.000 1.005 549 I CA -1.271 60.076 61.300 0.078 0.000 1.113 549 I CB 1.413 39.456 38.000 0.071 0.000 1.289 549 I HN 0.632 nan 8.210 nan 0.000 0.436 550 Y N 7.011 127.470 120.300 0.264 0.000 2.316 550 Y HA 0.532 5.083 4.550 0.002 0.000 0.331 550 Y C -0.903 175.026 175.900 0.048 0.000 1.083 550 Y CA 0.021 58.226 58.100 0.175 0.000 1.206 550 Y CB 1.181 39.711 38.460 0.116 0.000 1.195 550 Y HN 0.332 nan 8.280 nan 0.000 0.497 551 V N 5.352 125.062 119.914 -0.340 0.000 2.628 551 V HA 0.379 4.500 4.120 0.002 0.000 0.306 551 V C -0.579 175.329 176.094 -0.311 0.000 1.045 551 V CA -0.696 61.451 62.300 -0.256 0.000 0.905 551 V CB 2.259 33.903 31.823 -0.298 0.000 0.997 551 V HN 0.826 nan 8.190 nan 0.000 0.436 552 T N 6.823 121.310 114.554 -0.112 0.000 2.893 552 T HA 0.383 4.734 4.350 0.002 0.000 0.324 552 T C -2.721 171.906 174.700 -0.123 0.000 1.082 552 T CA -1.118 60.956 62.100 -0.044 0.000 0.983 552 T CB 1.367 70.310 68.868 0.125 0.000 1.005 552 T HN 0.370 nan 8.240 nan 0.000 0.475 553 P HA 0.119 nan 4.420 nan 0.000 0.271 553 P C 0.618 177.845 177.300 -0.122 0.000 1.216 553 P CA -0.276 62.718 63.100 -0.175 0.000 0.771 553 P CB 0.659 32.259 31.700 -0.168 0.000 0.864 554 D N 2.178 122.514 120.400 -0.107 0.000 2.348 554 D HA -0.040 4.601 4.640 0.002 0.000 0.211 554 D C 0.366 176.600 176.300 -0.110 0.000 0.998 554 D CA 0.563 54.512 54.000 -0.085 0.000 0.873 554 D CB -0.064 40.707 40.800 -0.048 0.000 0.925 554 D HN 0.193 nan 8.370 nan 0.000 0.524 555 V N -2.096 117.711 119.914 -0.178 0.000 3.046 555 V HA 0.559 4.680 4.120 0.002 0.000 0.316 555 V C 1.209 177.128 176.094 -0.292 0.000 1.104 555 V CA -0.158 61.968 62.300 -0.289 0.000 1.006 555 V CB 1.504 32.954 31.823 -0.622 0.000 1.058 555 V HN 0.015 nan 8.190 nan 0.000 0.440 556 S N 0.994 116.551 115.700 -0.238 0.000 2.404 556 S HA 0.077 4.548 4.470 0.002 0.000 0.223 556 S C 0.851 175.392 174.600 -0.097 0.000 1.040 556 S CA 0.745 58.874 58.200 -0.118 0.000 0.957 556 S CB -0.789 62.402 63.200 -0.016 0.000 0.826 556 S HN 1.112 nan 8.310 nan 0.000 0.491 557 Y N 3.137 123.428 120.300 -0.015 0.000 2.385 557 Y HA 0.484 5.035 4.550 0.002 0.000 0.346 557 Y C 0.745 176.631 175.900 -0.023 0.000 1.270 557 Y CA -0.967 57.120 58.100 -0.021 0.000 1.472 557 Y CB -0.141 38.302 38.460 -0.028 0.000 1.354 557 Y HN 0.107 nan 8.280 nan 0.000 0.611 558 S N 0.170 115.999 115.700 0.215 0.000 3.844 558 S HA 0.017 4.488 4.470 0.002 0.000 0.193 558 S C 0.084 174.747 174.600 0.104 0.000 1.255 558 S CA -0.504 57.760 58.200 0.106 0.000 1.028 558 S CB -1.013 62.229 63.200 0.070 0.000 1.436 558 S HN 0.703 nan 8.310 nan 0.000 0.442 559 Q N 2.173 122.002 119.800 0.048 0.000 2.330 559 Q HA 0.205 4.546 4.340 0.002 0.000 0.279 559 Q C -0.486 175.359 176.000 -0.259 0.000 1.024 559 Q CA 0.703 56.455 55.803 -0.086 0.000 0.900 559 Q CB 0.472 29.058 28.738 -0.253 0.000 1.221 559 Q HN 0.512 nan 8.270 nan 0.000 0.396 560 K N 2.914 123.095 120.400 -0.365 0.000 2.123 560 K HA 0.458 4.779 4.320 0.002 0.000 0.259 560 K C -1.183 175.000 176.600 -0.695 0.000 0.960 560 K CA -0.464 55.601 56.287 -0.370 0.000 0.872 560 K CB 1.078 33.458 32.500 -0.201 0.000 1.079 560 K HN 0.536 nan 8.250 nan 0.000 0.440 561 Y N 0.023 120.047 120.300 -0.460 0.000 2.581 561 Y HA 0.473 5.024 4.550 0.002 0.000 0.345 561 Y C -0.065 175.471 175.900 -0.607 0.000 1.036 561 Y CA -1.255 56.542 58.100 -0.505 0.000 1.042 561 Y CB 1.641 39.773 38.460 -0.547 0.000 1.289 561 Y HN 0.201 nan 8.280 nan 0.000 0.471 562 R N 1.127 121.593 120.500 -0.057 0.000 2.637 562 R HA 0.844 5.185 4.340 0.002 0.000 0.291 562 R C -1.088 175.339 176.300 0.213 0.000 0.963 562 R CA -1.133 55.020 56.100 0.087 0.000 0.901 562 R CB 1.947 32.301 30.300 0.090 0.000 1.160 562 R HN 0.801 nan 8.270 nan 0.000 0.457 563 A N 2.737 125.774 122.820 0.363 0.000 2.337 563 A HA 0.750 5.071 4.320 0.002 0.000 0.329 563 A C -0.420 177.340 177.584 0.293 0.000 1.146 563 A CA -0.643 51.518 52.037 0.208 0.000 0.800 563 A CB 1.276 20.319 19.000 0.072 0.000 1.220 563 A HN 0.610 nan 8.150 nan 0.000 0.472 564 R N 0.535 121.126 120.500 0.151 0.000 2.750 564 R HA 0.699 5.040 4.340 0.002 0.000 0.281 564 R C -1.503 174.885 176.300 0.146 0.000 0.972 564 R CA -0.554 55.670 56.100 0.208 0.000 0.912 564 R CB 2.339 32.713 30.300 0.123 0.000 1.187 564 R HN 0.728 nan 8.270 nan 0.000 0.464 565 I N 1.188 121.864 120.570 0.176 0.000 2.498 565 I HA 0.254 4.425 4.170 0.002 0.000 0.290 565 I C -0.958 175.343 176.117 0.305 0.000 1.032 565 I CA -0.573 60.779 61.300 0.086 0.000 1.073 565 I CB 1.561 39.427 38.000 -0.224 0.000 1.251 565 I HN 0.635 nan 8.210 nan 0.000 0.426 566 H N 7.809 126.985 119.070 0.176 0.000 2.641 566 H HA 0.354 4.911 4.556 0.002 0.000 0.295 566 H C -1.669 173.884 175.328 0.375 0.000 1.070 566 H CA -0.393 55.801 56.048 0.245 0.000 1.257 566 H CB 0.659 30.499 29.762 0.131 0.000 1.393 566 H HN 0.615 nan 8.280 nan 0.000 0.464 567 Y N 2.692 123.070 120.300 0.131 0.000 2.715 567 Y HA 0.746 5.297 4.550 0.002 0.000 0.331 567 Y C -1.933 173.930 175.900 -0.061 0.000 1.197 567 Y CA -1.463 56.719 58.100 0.136 0.000 1.079 567 Y CB 0.865 39.425 38.460 0.167 0.000 1.298 567 Y HN 0.496 nan 8.280 nan 0.000 0.477 568 A N 1.065 123.683 122.820 -0.337 0.000 2.455 568 A HA 0.757 5.078 4.320 0.002 0.000 0.300 568 A C -1.259 176.347 177.584 0.036 0.000 1.040 568 A CA -0.217 51.525 52.037 -0.492 0.000 0.697 568 A CB 1.559 20.034 19.000 -0.875 0.000 1.265 568 A HN 1.129 nan 8.150 nan 0.000 0.407 569 S N -0.031 115.695 115.700 0.043 0.000 2.541 569 S HA 0.581 5.052 4.470 0.002 0.000 0.271 569 S C 0.821 175.449 174.600 0.047 0.000 1.133 569 S CA 0.341 58.609 58.200 0.113 0.000 0.876 569 S CB 1.447 64.768 63.200 0.201 0.000 1.105 569 S HN 1.484 nan 8.310 nan 0.000 0.470 570 T N 0.074 114.644 114.554 0.025 0.000 3.100 570 T HA 0.292 4.643 4.350 0.002 0.000 0.253 570 T C 0.733 175.433 174.700 0.001 0.000 1.118 570 T CA 0.630 62.737 62.100 0.012 0.000 1.058 570 T CB -0.409 68.464 68.868 0.008 0.000 0.953 570 T HN 0.871 nan 8.240 nan 0.000 0.515 571 S N -0.280 115.418 115.700 -0.003 0.000 2.671 571 S HA 0.450 4.921 4.470 0.002 0.000 0.277 571 S C -1.293 173.299 174.600 -0.013 0.000 1.165 571 S CA -1.162 57.030 58.200 -0.014 0.000 0.822 571 S CB 1.411 64.591 63.200 -0.033 0.000 1.150 571 S HN 0.266 nan 8.310 nan 0.000 0.479 572 Q N 0.736 120.525 119.800 -0.019 0.000 2.332 572 Q HA 0.493 4.834 4.340 0.002 0.000 0.263 572 Q C -0.107 175.847 176.000 -0.076 0.000 0.979 572 Q CA 0.126 55.916 55.803 -0.023 0.000 0.885 572 Q CB 0.461 29.188 28.738 -0.018 0.000 1.218 572 Q HN 0.698 nan 8.270 nan 0.000 0.405 573 I N -2.119 118.374 120.570 -0.129 0.000 3.264 573 I HA 0.622 4.793 4.170 0.002 0.000 0.315 573 I C -0.739 175.213 176.117 -0.274 0.000 1.154 573 I CA -1.053 60.096 61.300 -0.253 0.000 0.962 573 I CB 2.618 40.345 38.000 -0.456 0.000 1.265 573 I HN 0.207 nan 8.210 nan 0.000 0.463 574 T N 2.245 116.601 114.554 -0.330 0.000 2.841 574 T HA 0.590 4.941 4.350 0.002 0.000 0.285 574 T C -1.074 173.502 174.700 -0.208 0.000 0.991 574 T CA -0.108 61.840 62.100 -0.254 0.000 0.966 574 T CB 0.809 69.509 68.868 -0.280 0.000 0.962 574 T HN 0.273 nan 8.240 nan 0.000 0.438 575 F N 2.119 122.113 119.950 0.073 0.000 2.421 575 F HA 0.575 5.103 4.527 0.002 0.000 0.337 575 F C 0.930 176.835 175.800 0.175 0.000 1.105 575 F CA -0.725 57.303 58.000 0.048 0.000 1.049 575 F CB 1.795 40.734 39.000 -0.103 0.000 1.139 575 F HN 0.360 nan 8.300 nan 0.000 0.479 576 T N 4.922 119.633 114.554 0.263 0.000 2.861 576 T HA 0.643 4.994 4.350 0.002 0.000 0.287 576 T C -0.588 174.039 174.700 -0.122 0.000 1.003 576 T CA -0.630 61.508 62.100 0.063 0.000 0.977 576 T CB 1.220 70.082 68.868 -0.010 0.000 0.996 576 T HN 0.268 nan 8.240 nan 0.000 0.448 577 L N 2.296 123.267 121.223 -0.420 0.000 2.329 577 L HA 0.710 5.051 4.340 0.002 0.000 0.279 577 L C -0.040 176.420 176.870 -0.683 0.000 1.014 577 L CA -0.715 53.706 54.840 -0.699 0.000 0.814 577 L CB 1.857 43.127 42.059 -1.315 0.000 1.257 577 L HN 0.588 nan 8.230 nan 0.000 0.424 578 S N 3.365 118.923 115.700 -0.237 0.000 2.548 578 S HA 0.649 5.120 4.470 0.002 0.000 0.286 578 S C -0.752 173.977 174.600 0.215 0.000 1.098 578 S CA -0.597 57.624 58.200 0.035 0.000 0.930 578 S CB 2.322 65.523 63.200 0.003 0.000 1.070 578 S HN 0.402 nan 8.310 nan 0.000 0.480 579 L N 2.378 123.753 121.223 0.253 0.000 2.325 579 L HA 0.392 4.733 4.340 0.002 0.000 0.281 579 L C -0.743 176.157 176.870 0.050 0.000 1.004 579 L CA -0.420 54.477 54.840 0.095 0.000 0.823 579 L CB 1.211 43.233 42.059 -0.062 0.000 1.236 579 L HN 0.695 nan 8.230 nan 0.000 0.415 580 D N 3.750 124.170 120.400 0.035 0.000 2.701 580 D HA -0.205 4.436 4.640 0.002 0.000 0.235 580 D C 1.090 177.417 176.300 0.045 0.000 1.155 580 D CA 1.517 55.541 54.000 0.039 0.000 0.649 580 D CB -0.825 39.987 40.800 0.020 0.000 1.050 580 D HN 1.084 nan 8.370 nan 0.000 0.425 581 G N -1.831 106.999 108.800 0.049 0.000 2.176 581 G HA2 -0.069 3.892 3.960 0.002 0.000 0.253 581 G HA3 -0.069 3.892 3.960 0.002 0.000 0.253 581 G C 0.336 175.261 174.900 0.042 0.000 0.979 581 G CA 0.478 45.603 45.100 0.041 0.000 0.641 581 G HN 1.288 nan 8.290 nan 0.000 0.530 582 A N 0.567 123.423 122.820 0.060 0.000 2.303 582 A HA 0.820 5.141 4.320 0.002 0.000 0.320 582 A C -2.439 175.208 177.584 0.105 0.000 1.192 582 A CA -1.568 50.511 52.037 0.069 0.000 0.821 582 A CB 1.548 20.588 19.000 0.068 0.000 1.188 582 A HN 0.074 nan 8.150 nan 0.000 0.492 583 P HA 0.305 nan 4.420 nan 0.000 0.271 583 P C -0.098 177.255 177.300 0.088 0.000 1.216 583 P CA 0.089 63.193 63.100 0.006 0.000 0.771 583 P CB 0.188 31.877 31.700 -0.020 0.000 0.864 584 F N -0.016 119.884 119.950 -0.084 0.000 2.856 584 F HA 0.488 5.016 4.527 0.002 0.000 0.338 584 F C -0.190 175.565 175.800 -0.075 0.000 1.005 584 F CA -0.209 57.744 58.000 -0.078 0.000 1.155 584 F CB 0.335 39.263 39.000 -0.120 0.000 1.010 584 F HN 0.040 nan 8.300 nan 0.000 0.587 585 N N 1.274 119.571 118.700 -0.671 0.000 2.287 585 N HA 0.349 5.090 4.740 0.002 0.000 0.289 585 N C -2.043 173.375 175.510 -0.154 0.000 1.066 585 N CA -0.092 52.727 53.050 -0.385 0.000 0.841 585 N CB 2.562 40.630 38.487 -0.699 0.000 1.599 585 N HN 0.429 nan 8.380 nan 0.000 0.476 586 Q N 2.426 122.315 119.800 0.148 0.000 2.284 586 Q HA 0.415 4.756 4.340 0.002 0.000 0.269 586 Q C -2.025 174.184 176.000 0.348 0.000 1.026 586 Q CA -0.538 55.397 55.803 0.219 0.000 0.831 586 Q CB 1.853 30.618 28.738 0.045 0.000 1.322 586 Q HN 0.603 nan 8.270 nan 0.000 0.419 587 Y N 1.522 121.882 120.300 0.099 0.000 2.670 587 Y HA 0.482 5.033 4.550 0.002 0.000 0.334 587 Y C -1.837 173.851 175.900 -0.353 0.000 1.185 587 Y CA -0.980 57.031 58.100 -0.150 0.000 1.053 587 Y CB 1.441 39.706 38.460 -0.324 0.000 1.298 587 Y HN 0.624 nan 8.280 nan 0.000 0.459 588 Y N 2.332 122.054 120.300 -0.964 0.000 2.323 588 Y HA 0.595 5.146 4.550 0.002 0.000 0.331 588 Y C -1.000 174.265 175.900 -1.058 0.000 1.092 588 Y CA -0.727 56.922 58.100 -0.751 0.000 1.150 588 Y CB 0.747 38.816 38.460 -0.651 0.000 1.200 588 Y HN 0.268 nan 8.280 nan 0.000 0.472 589 F N 1.387 121.217 119.950 -0.200 0.000 2.565 589 F HA 0.340 4.868 4.527 0.002 0.000 0.313 589 F C -0.231 175.534 175.800 -0.059 0.000 1.091 589 F CA -1.388 56.517 58.000 -0.159 0.000 0.915 589 F CB 1.390 40.172 39.000 -0.363 0.000 1.208 589 F HN 0.425 nan 8.300 nan 0.000 0.453 590 D N 1.550 122.089 120.400 0.233 0.000 2.357 590 D HA 0.055 4.696 4.640 0.002 0.000 0.242 590 D C -0.104 176.329 176.300 0.221 0.000 1.153 590 D CA -0.285 53.818 54.000 0.171 0.000 0.918 590 D CB 0.995 41.876 40.800 0.136 0.000 1.181 590 D HN 0.449 nan 8.370 nan 0.000 0.435 591 K N -0.266 120.199 120.400 0.109 0.000 2.298 591 K HA 0.101 4.422 4.320 0.002 0.000 0.280 591 K C 0.665 177.294 176.600 0.048 0.000 1.032 591 K CA -0.101 56.233 56.287 0.078 0.000 0.958 591 K CB 0.635 33.153 32.500 0.030 0.000 0.978 591 K HN 0.493 nan 8.250 nan 0.000 0.472 592 T N 1.296 115.852 114.554 0.002 0.000 2.955 592 T HA 0.188 4.539 4.350 0.002 0.000 0.251 592 T C 0.869 175.526 174.700 -0.072 0.000 1.002 592 T CA -0.106 61.951 62.100 -0.071 0.000 0.970 592 T CB -0.402 68.340 68.868 -0.210 0.000 1.091 592 T HN 0.651 nan 8.240 nan 0.000 0.495 593 I N -2.109 118.431 120.570 -0.050 0.000 3.191 593 I HA 0.661 4.832 4.170 0.002 0.000 0.313 593 I C -1.624 174.485 176.117 -0.012 0.000 1.193 593 I CA -1.499 59.777 61.300 -0.040 0.000 0.968 593 I CB 1.908 39.872 38.000 -0.060 0.000 1.262 593 I HN -0.250 nan 8.210 nan 0.000 0.456 594 N N 1.874 120.569 118.700 -0.008 0.000 2.492 594 N HA 0.317 5.058 4.740 0.002 0.000 0.289 594 N C -0.934 174.582 175.510 0.010 0.000 1.133 594 N CA -0.648 52.402 53.050 0.000 0.000 0.961 594 N CB 1.734 40.220 38.487 -0.001 0.000 1.186 594 N HN 0.523 nan 8.380 nan 0.000 0.493 595 K N 0.211 120.618 120.400 0.011 0.000 2.511 595 K HA 0.042 4.363 4.320 0.002 0.000 0.280 595 K C 0.915 177.527 176.600 0.019 0.000 1.008 595 K CA 0.906 57.205 56.287 0.019 0.000 1.050 595 K CB 0.163 32.669 32.500 0.011 0.000 0.889 595 K HN 0.850 nan 8.250 nan 0.000 0.484 596 G N 2.605 111.423 108.800 0.030 0.000 2.199 596 G HA2 -0.217 3.744 3.960 0.002 0.000 0.254 596 G HA3 -0.217 3.744 3.960 0.002 0.000 0.254 596 G C -0.186 174.723 174.900 0.014 0.000 0.982 596 G CA 0.034 45.148 45.100 0.023 0.000 0.632 596 G HN 0.652 nan 8.290 nan 0.000 0.529 597 D N 1.567 121.972 120.400 0.009 0.000 2.372 597 D HA 0.488 5.129 4.640 0.002 0.000 0.243 597 D C 1.213 177.501 176.300 -0.020 0.000 1.121 597 D CA 1.007 55.003 54.000 -0.007 0.000 0.898 597 D CB 1.020 41.810 40.800 -0.016 0.000 1.202 597 D HN 0.454 nan 8.370 nan 0.000 0.428 598 T N -0.802 113.741 114.554 -0.018 0.000 2.909 598 T HA 0.367 4.718 4.350 0.002 0.000 0.289 598 T C 0.194 174.877 174.700 -0.028 0.000 1.005 598 T CA -0.989 61.097 62.100 -0.023 0.000 1.084 598 T CB 0.688 69.556 68.868 -0.000 0.000 0.975 598 T HN 0.004 nan 8.240 nan 0.000 0.509 599 L N 4.222 125.417 121.223 -0.046 0.000 2.342 599 L HA 0.346 4.687 4.340 0.002 0.000 0.285 599 L C 1.188 178.200 176.870 0.236 0.000 1.095 599 L CA 0.373 55.219 54.840 0.010 0.000 0.843 599 L CB -0.312 41.692 42.059 -0.092 0.000 1.201 599 L HN 1.123 nan 8.230 nan 0.000 0.445 600 T N -0.701 113.992 114.554 0.231 0.000 2.919 600 T HA 0.245 4.596 4.350 0.002 0.000 0.282 600 T C 1.177 176.011 174.700 0.223 0.000 1.020 600 T CA -0.456 61.803 62.100 0.265 0.000 0.994 600 T CB 0.515 69.457 68.868 0.124 0.000 1.180 600 T HN 0.353 nan 8.240 nan 0.000 0.566 601 Y N 1.582 121.738 120.300 -0.239 0.000 2.102 601 Y HA -0.222 4.329 4.550 0.002 0.000 0.280 601 Y C 2.184 178.079 175.900 -0.007 0.000 1.178 601 Y CA 2.348 60.216 58.100 -0.387 0.000 1.146 601 Y CB -0.632 37.585 38.460 -0.404 0.000 0.968 601 Y HN 0.581 nan 8.280 nan 0.000 0.504 602 N N -0.434 118.293 118.700 0.046 0.000 2.550 602 N HA -0.092 4.649 4.740 0.002 0.000 0.186 602 N C 1.657 177.148 175.510 -0.032 0.000 1.110 602 N CA 1.068 54.121 53.050 0.004 0.000 0.912 602 N CB -0.220 38.299 38.487 0.052 0.000 0.968 602 N HN 0.332 nan 8.380 nan 0.000 0.448 603 S N -0.018 115.673 115.700 -0.015 0.000 2.406 603 S HA 0.041 4.512 4.470 0.002 0.000 0.228 603 S C 0.518 174.917 174.600 -0.334 0.000 1.020 603 S CA 0.508 58.617 58.200 -0.151 0.000 0.965 603 S CB -0.058 63.031 63.200 -0.185 0.000 0.798 603 S HN 0.169 nan 8.310 nan 0.000 0.488 604 F N 2.303 122.125 119.950 -0.213 0.000 2.375 604 F HA 0.506 5.034 4.527 0.002 0.000 0.333 604 F C 0.527 176.149 175.800 -0.295 0.000 1.104 604 F CA -0.968 56.817 58.000 -0.357 0.000 1.149 604 F CB 0.563 39.265 39.000 -0.496 0.000 1.190 604 F HN -0.015 nan 8.300 nan 0.000 0.533 605 N N 2.044 120.600 118.700 -0.241 0.000 2.240 605 N HA 0.521 5.262 4.740 0.002 0.000 0.302 605 N C -2.109 173.500 175.510 0.164 0.000 1.106 605 N CA -0.650 52.348 53.050 -0.086 0.000 0.778 605 N CB 1.615 39.978 38.487 -0.206 0.000 1.431 605 N HN 0.516 nan 8.380 nan 0.000 0.479 606 L N 2.463 123.863 121.223 0.295 0.000 2.318 606 L HA 0.874 5.215 4.340 0.002 0.000 0.277 606 L C -1.140 175.926 176.870 0.326 0.000 1.008 606 L CA -0.369 54.682 54.840 0.352 0.000 0.846 606 L CB 0.764 42.971 42.059 0.246 0.000 1.220 606 L HN 0.705 nan 8.230 nan 0.000 0.423 607 A N 3.220 126.295 122.820 0.426 0.000 2.386 607 A HA 0.847 5.168 4.320 0.002 0.000 0.311 607 A C -0.461 177.378 177.584 0.426 0.000 1.068 607 A CA -0.536 51.770 52.037 0.450 0.000 0.743 607 A CB 1.376 20.785 19.000 0.682 0.000 1.258 607 A HN 0.599 nan 8.150 nan 0.000 0.429 608 S N 0.376 116.264 115.700 0.313 0.000 2.632 608 S HA 0.657 5.128 4.470 0.002 0.000 0.271 608 S C -0.630 174.095 174.600 0.208 0.000 1.260 608 S CA -0.028 58.334 58.200 0.270 0.000 1.010 608 S CB 0.288 63.580 63.200 0.154 0.000 0.965 608 S HN 0.429 nan 8.310 nan 0.000 0.534 609 F N 1.348 121.369 119.950 0.119 0.000 2.379 609 F HA 0.246 4.774 4.527 0.002 0.000 0.332 609 F C 1.891 177.516 175.800 -0.291 0.000 1.096 609 F CA -0.401 57.549 58.000 -0.083 0.000 1.105 609 F CB 1.159 40.214 39.000 0.091 0.000 1.189 609 F HN 0.729 nan 8.300 nan 0.000 0.515 610 S N 0.243 115.614 115.700 -0.548 0.000 2.363 610 S HA -0.116 4.355 4.470 0.002 0.000 0.218 610 S C 0.782 175.369 174.600 -0.021 0.000 1.035 610 S CA 1.122 59.131 58.200 -0.318 0.000 1.043 610 S CB -1.040 61.932 63.200 -0.380 0.000 0.986 610 S HN 0.595 nan 8.310 nan 0.000 0.423 611 T N 4.752 119.344 114.554 0.065 0.000 2.907 611 T HA 0.500 4.851 4.350 0.002 0.000 0.298 611 T C -2.551 172.306 174.700 0.261 0.000 1.017 611 T CA -0.973 61.219 62.100 0.152 0.000 1.118 611 T CB 1.036 70.009 68.868 0.176 0.000 0.948 611 T HN 0.258 nan 8.240 nan 0.000 0.531 612 P HA 0.584 nan 4.420 nan 0.000 0.279 612 P C -0.986 176.461 177.300 0.246 0.000 1.252 612 P CA -0.631 62.549 63.100 0.134 0.000 0.811 612 P CB 0.526 32.239 31.700 0.021 0.000 1.035 613 F N -2.325 117.701 119.950 0.128 0.000 2.686 613 F HA 0.634 5.162 4.527 0.002 0.000 0.311 613 F C -0.842 174.986 175.800 0.048 0.000 1.128 613 F CA -1.228 56.808 58.000 0.059 0.000 0.946 613 F CB 1.195 40.205 39.000 0.016 0.000 1.336 613 F HN 0.156 nan 8.300 nan 0.000 0.457 614 E N 1.245 121.532 120.200 0.144 0.000 2.227 614 E HA 0.478 4.829 4.350 0.002 0.000 0.268 614 E C -0.956 175.707 176.600 0.106 0.000 0.990 614 E CA -1.000 55.456 56.400 0.093 0.000 0.856 614 E CB 2.364 32.085 29.700 0.036 0.000 1.159 614 E HN 0.619 nan 8.360 nan 0.000 0.401 615 L N 2.629 123.890 121.223 0.064 0.000 2.480 615 L HA 0.076 4.417 4.340 0.002 0.000 0.243 615 L C 0.627 177.442 176.870 -0.092 0.000 1.315 615 L CA -0.098 54.706 54.840 -0.059 0.000 1.231 615 L CB -0.328 41.638 42.059 -0.156 0.000 1.444 615 L HN 0.500 nan 8.230 nan 0.000 0.409 616 S N -0.831 114.812 115.700 -0.096 0.000 2.859 616 S HA 0.421 4.892 4.470 0.002 0.000 0.245 616 S C 0.600 175.147 174.600 -0.088 0.000 1.008 616 S CA -0.079 58.075 58.200 -0.078 0.000 1.089 616 S CB 0.090 63.255 63.200 -0.058 0.000 0.798 616 S HN 0.599 nan 8.310 nan 0.000 0.477 617 G N 0.463 109.192 108.800 -0.118 0.000 2.430 617 G HA2 0.438 4.399 3.960 0.002 0.000 0.300 617 G HA3 0.438 4.399 3.960 0.002 0.000 0.300 617 G C -0.583 174.204 174.900 -0.189 0.000 1.330 617 G CA -0.857 44.171 45.100 -0.118 0.000 0.813 617 G HN 0.219 nan 8.290 nan 0.000 0.487 618 N N -0.801 117.761 118.700 -0.231 0.000 2.445 618 N HA 0.110 4.851 4.740 0.002 0.000 0.204 618 N C 0.036 175.302 175.510 -0.406 0.000 1.098 618 N CA -0.298 52.464 53.050 -0.481 0.000 0.859 618 N CB 0.574 38.557 38.487 -0.839 0.000 1.249 618 N HN 0.288 nan 8.380 nan 0.000 0.462 619 N N 1.985 120.597 118.700 -0.148 0.000 2.482 619 N HA 0.094 4.836 4.740 0.002 0.000 0.242 619 N C -1.207 174.318 175.510 0.026 0.000 1.100 619 N CA -0.160 52.904 53.050 0.023 0.000 0.946 619 N CB 1.186 39.760 38.487 0.145 0.000 1.227 619 N HN 0.118 nan 8.380 nan 0.000 0.508 620 L N 2.271 123.508 121.223 0.023 0.000 2.281 620 L HA 0.183 4.524 4.340 0.002 0.000 0.285 620 L C 0.168 177.049 176.870 0.017 0.000 1.074 620 L CA 0.059 54.929 54.840 0.049 0.000 0.817 620 L CB 0.736 42.848 42.059 0.089 0.000 1.168 620 L HN 0.420 nan 8.230 nan 0.000 0.434 621 Q N 4.444 124.243 119.800 -0.001 0.000 2.331 621 Q HA 0.539 4.880 4.340 0.002 0.000 0.267 621 Q C -1.499 174.454 176.000 -0.078 0.000 1.006 621 Q CA -0.804 54.975 55.803 -0.040 0.000 0.818 621 Q CB 1.537 30.258 28.738 -0.027 0.000 1.276 621 Q HN 0.666 nan 8.270 nan 0.000 0.450 622 I N 2.779 123.301 120.570 -0.082 0.000 2.354 622 I HA 0.538 4.709 4.170 0.002 0.000 0.292 622 I C 0.375 176.477 176.117 -0.026 0.000 0.989 622 I CA -0.167 61.076 61.300 -0.094 0.000 1.188 622 I CB 1.926 39.838 38.000 -0.148 0.000 1.342 622 I HN 0.613 nan 8.210 nan 0.000 0.457 623 G N 4.894 113.708 108.800 0.023 0.000 2.481 623 G HA2 0.757 4.718 3.960 0.002 0.000 0.315 623 G HA3 0.757 4.718 3.960 0.002 0.000 0.315 623 G C -1.373 173.609 174.900 0.137 0.000 1.231 623 G CA -0.616 44.514 45.100 0.050 0.000 0.968 623 G HN 0.366 nan 8.290 nan 0.000 0.482 624 V N 0.557 120.519 119.914 0.079 0.000 2.735 624 V HA 0.864 4.985 4.120 0.002 0.000 0.310 624 V C 0.122 176.179 176.094 -0.062 0.000 1.061 624 V CA -0.640 61.669 62.300 0.015 0.000 0.913 624 V CB 1.645 33.474 31.823 0.012 0.000 1.005 624 V HN 1.195 nan 8.190 nan 0.000 0.428 625 T N -1.077 113.403 114.554 -0.122 0.000 2.864 625 T HA 0.760 5.111 4.350 0.002 0.000 0.299 625 T C 0.484 175.101 174.700 -0.138 0.000 1.166 625 T CA 0.001 62.037 62.100 -0.107 0.000 1.007 625 T CB 1.834 70.650 68.868 -0.087 0.000 1.219 625 T HN 2.039 nan 8.240 nan 0.000 0.506 626 G N 0.321 109.060 108.800 -0.103 0.000 2.163 626 G HA2 -0.131 3.830 3.960 0.002 0.000 0.213 626 G HA3 -0.131 3.830 3.960 0.002 0.000 0.213 626 G C -0.150 174.699 174.900 -0.085 0.000 0.991 626 G CA -0.203 44.839 45.100 -0.096 0.000 0.653 626 G HN 0.873 nan 8.290 nan 0.000 0.518 627 L N 1.381 122.554 121.223 -0.083 0.000 2.395 627 L HA 0.656 4.997 4.340 0.002 0.000 0.269 627 L C 0.580 177.419 176.870 -0.052 0.000 1.133 627 L CA -0.318 54.479 54.840 -0.071 0.000 0.812 627 L CB 1.502 43.516 42.059 -0.075 0.000 1.125 627 L HN 0.178 nan 8.230 nan 0.000 0.452 628 S N 0.545 116.218 115.700 -0.045 0.000 2.677 628 S HA 0.631 5.103 4.470 0.002 0.000 0.304 628 S C -0.224 174.357 174.600 -0.032 0.000 1.108 628 S CA -0.743 57.436 58.200 -0.034 0.000 0.944 628 S CB 1.860 65.043 63.200 -0.029 0.000 1.127 628 S HN 0.710 nan 8.310 nan 0.000 0.511 629 A N 0.324 123.128 122.820 -0.026 0.000 2.566 629 A HA 0.464 4.785 4.320 0.002 0.000 0.245 629 A C 1.460 179.031 177.584 -0.022 0.000 1.056 629 A CA 0.659 52.683 52.037 -0.023 0.000 0.757 629 A CB -1.349 17.640 19.000 -0.017 0.000 0.979 629 A HN 1.928 nan 8.150 nan 0.000 0.508 630 G N 2.086 110.872 108.800 -0.023 0.000 2.195 630 G HA2 -0.184 3.778 3.960 0.002 0.000 0.246 630 G HA3 -0.184 3.778 3.960 0.002 0.000 0.246 630 G C -0.033 174.852 174.900 -0.025 0.000 0.984 630 G CA 0.278 45.367 45.100 -0.019 0.000 0.633 630 G HN 0.807 nan 8.290 nan 0.000 0.525 631 D N 0.783 121.161 120.400 -0.036 0.000 2.304 631 D HA 0.641 5.283 4.640 0.002 0.000 0.247 631 D C 0.365 176.619 176.300 -0.077 0.000 1.089 631 D CA 0.380 54.352 54.000 -0.047 0.000 0.910 631 D CB 1.360 42.130 40.800 -0.050 0.000 1.199 631 D HN 0.242 nan 8.370 nan 0.000 0.426 632 K N 0.249 120.591 120.400 -0.097 0.000 2.464 632 K HA 0.576 4.897 4.320 0.002 0.000 0.253 632 K C -1.406 175.047 176.600 -0.245 0.000 0.933 632 K CA -0.711 55.447 56.287 -0.216 0.000 0.801 632 K CB 2.386 34.723 32.500 -0.272 0.000 1.271 632 K HN 0.051 nan 8.250 nan 0.000 0.430 633 V N 3.526 123.240 119.914 -0.333 0.000 2.531 633 V HA 0.434 4.556 4.120 0.002 0.000 0.301 633 V C -1.475 174.451 176.094 -0.280 0.000 1.034 633 V CA -0.877 61.324 62.300 -0.165 0.000 0.865 633 V CB 1.213 33.028 31.823 -0.013 0.000 0.995 633 V HN 0.618 nan 8.190 nan 0.000 0.424 634 Y N 4.666 125.003 120.300 0.061 0.000 2.335 634 Y HA 0.688 5.240 4.550 0.002 0.000 0.338 634 Y C 0.109 176.107 175.900 0.163 0.000 0.977 634 Y CA -0.722 57.418 58.100 0.068 0.000 1.114 634 Y CB 1.597 40.046 38.460 -0.018 0.000 1.182 634 Y HN 0.447 nan 8.280 nan 0.000 0.463 635 I N 2.763 123.501 120.570 0.280 0.000 2.389 635 I HA 0.230 4.401 4.170 0.002 0.000 0.288 635 I C 0.130 176.363 176.117 0.194 0.000 0.999 635 I CA -0.389 61.042 61.300 0.219 0.000 1.129 635 I CB 1.814 39.855 38.000 0.068 0.000 1.288 635 I HN 0.638 nan 8.210 nan 0.000 0.444 636 D N 5.333 125.854 120.400 0.203 0.000 2.355 636 D HA 0.148 4.789 4.640 0.002 0.000 0.233 636 D C 0.117 176.468 176.300 0.084 0.000 0.997 636 D CA 1.403 55.467 54.000 0.108 0.000 0.920 636 D CB 0.644 41.454 40.800 0.015 0.000 1.063 636 D HN 0.426 nan 8.370 nan 0.000 0.465 637 K N -0.685 119.788 120.400 0.121 0.000 2.512 637 K HA 0.457 4.778 4.320 0.002 0.000 0.263 637 K C -1.429 175.195 176.600 0.041 0.000 0.966 637 K CA -1.035 55.297 56.287 0.075 0.000 0.851 637 K CB 2.787 35.333 32.500 0.076 0.000 1.395 637 K HN 0.051 nan 8.250 nan 0.000 0.440 638 I N 0.863 121.422 120.570 -0.018 0.000 2.474 638 I HA 0.258 4.429 4.170 0.002 0.000 0.294 638 I C -1.167 174.843 176.117 -0.178 0.000 1.005 638 I CA 0.022 61.237 61.300 -0.141 0.000 1.113 638 I CB 1.516 39.385 38.000 -0.219 0.000 1.289 638 I HN 0.522 nan 8.210 nan 0.000 0.436 639 E N 6.184 126.237 120.200 -0.246 0.000 2.227 639 E HA 0.469 4.820 4.350 0.002 0.000 0.268 639 E C -1.665 174.722 176.600 -0.355 0.000 0.907 639 E CA -0.581 55.735 56.400 -0.140 0.000 0.786 639 E CB 2.070 31.799 29.700 0.049 0.000 1.191 639 E HN 0.392 nan 8.360 nan 0.000 0.411 640 F N 1.786 121.801 119.950 0.108 0.000 2.449 640 F HA 0.441 4.969 4.527 0.002 0.000 0.342 640 F C -0.039 175.862 175.800 0.168 0.000 1.127 640 F CA -0.705 57.358 58.000 0.104 0.000 0.975 640 F CB 1.018 39.977 39.000 -0.069 0.000 1.146 640 F HN 0.198 nan 8.300 nan 0.000 0.444 641 I N 5.891 126.658 120.570 0.327 0.000 2.330 641 I HA 0.286 4.457 4.170 0.002 0.000 0.289 641 I C -2.264 173.977 176.117 0.208 0.000 1.001 641 I CA -2.318 59.119 61.300 0.229 0.000 1.193 641 I CB 1.656 39.725 38.000 0.114 0.000 1.345 641 I HN 0.266 nan 8.210 nan 0.000 0.461 642 P HA 0.067 nan 4.420 nan 0.000 0.266 642 P C -0.610 176.601 177.300 -0.148 0.000 1.215 642 P CA 0.180 63.199 63.100 -0.135 0.000 0.763 642 P CB 1.511 33.185 31.700 -0.043 0.000 0.806 643 V N 4.725 124.488 119.914 -0.251 0.000 2.876 643 V HA 0.258 4.379 4.120 0.002 0.000 0.312 643 V C 0.555 176.553 176.094 -0.160 0.000 1.085 643 V CA -0.772 61.434 62.300 -0.157 0.000 0.945 643 V CB 2.255 34.008 31.823 -0.117 0.000 1.017 643 V HN 0.493 nan 8.190 nan 0.000 0.428 644 N N 0.000 118.637 118.700 -0.105 0.000 1.763 644 N HA 0.000 4.741 4.740 0.002 0.000 0.220 644 N CA 0.000 52.997 53.050 -0.089 0.000 0.885 644 N CB 0.000 38.444 38.487 -0.071 0.000 1.341 644 N HN 0.000 nan 8.380 nan 0.000 0.667