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 3dmk_1_C DATA FIRST_RESID 1 DATA SEQUENCE QKGPVFLKEP TNRIDFSNST GAEIEcKASG NPMPEIIWIR SDGTAVGDVP DATA SEQUENCE GLRQISSDGK LVFPPFRAED YRQEVHAQVY AcLARNQFGS IISRDVHVRA DATA SEQUENCE VVAQYYEADV NKEHVIRGNS AVIKcLIPSF VADFVEVVSW HTDEEENYFP DATA SEQUENCE GAEYDGKYLV LPSGELHIRE VGPEDGYKSY QcRTKHRLTG ETRLSATKGR DATA SEQUENCE LVITEPISSA VPKVVSLAKF DMKTYSGSST MALLcPAQGY PVPVFRWYKF DATA SEQUENCE IEGTTRKQAV VLNDRVKQVS GTLIIKDAVV EDSGKYLcVV NNSVGGESVE DATA SEQUENCE TVLTVTAPLS AKIDPPTQTV DFGRPAVFTc QYTGNPIKTV SWMKDGKAIG DATA SEQUENCE HSESVLRIES VKKEDKGMYQ cFVRNDRESA EASAELKLGG RFDPPVIRQA DATA SEQUENCE FQEETMEPGP SVFLKcVAGG NPTPEISWEL DGKKIANNDR YQVGQYVTVN DATA SEQUENCE GDVVSYLNIT SVHANDGGLY KcIAKSKVGV AEHSAKLNVY GLPYIRQMEK DATA SEQUENCE KAIVAGETLI VTcPVAGYPI DSIVWERDNR ALPINRKQKV FPNGTLIIEN DATA SEQUENCE VERNSDQATY TcVAKNQEGY SARGSLEVQV MVLPRIIPFA FEEGPAQVGQ DATA SEQUENCE YLTLHcSVPG GDLPLNIDWT LDGQAISEDL GITTSRVGRR GSVLTIEAVE DATA SEQUENCE ASHAGNFTcH ARNLAGHQQF TTPLNV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.809 176.000 -0.318 0.000 1.003 1 Q CA 0.000 55.739 55.803 -0.106 0.000 1.022 1 Q CB 0.000 28.710 28.738 -0.046 0.000 1.108 2 K N -0.213 119.940 120.400 -0.412 0.000 2.543 2 K HA 0.538 4.865 4.320 0.012 0.000 0.255 2 K C -0.664 175.690 176.600 -0.410 0.000 0.934 2 K CA -0.169 55.871 56.287 -0.411 0.000 0.810 2 K CB 1.642 34.019 32.500 -0.205 0.000 1.315 2 K HN 0.170 nan 8.250 nan 0.000 0.433 3 G N 3.074 111.637 108.800 -0.394 0.000 2.606 3 G HA2 0.283 4.250 3.960 0.012 0.000 0.252 3 G HA3 0.283 4.250 3.960 0.012 0.000 0.252 3 G C -2.374 172.443 174.900 -0.139 0.000 1.206 3 G CA -0.902 44.075 45.100 -0.205 0.000 0.861 3 G HN 0.410 nan 8.290 nan 0.000 0.561 4 P HA 0.286 nan 4.420 nan 0.000 0.272 4 P C -0.707 176.481 177.300 -0.187 0.000 1.223 4 P CA -0.171 62.829 63.100 -0.166 0.000 0.784 4 P CB 1.757 33.332 31.700 -0.209 0.000 0.923 5 V N 3.472 123.264 119.914 -0.203 0.000 2.851 5 V HA 0.390 4.517 4.120 0.012 0.000 0.307 5 V C -1.258 174.746 176.094 -0.151 0.000 1.129 5 V CA -0.893 61.315 62.300 -0.152 0.000 0.932 5 V CB 1.415 33.206 31.823 -0.054 0.000 1.024 5 V HN 0.205 nan 8.190 nan 0.000 0.426 6 F N 6.272 126.209 119.950 -0.023 0.000 2.506 6 F HA 0.351 4.885 4.527 0.012 0.000 0.371 6 F C 1.137 176.925 175.800 -0.020 0.000 1.078 6 F CA 0.173 58.156 58.000 -0.029 0.000 1.195 6 F CB 1.021 40.002 39.000 -0.032 0.000 1.099 6 F HN 0.407 nan 8.300 nan 0.000 0.548 7 L N 2.313 123.644 121.223 0.180 0.000 2.408 7 L HA 0.162 4.509 4.340 0.012 0.000 0.215 7 L C 0.442 177.371 176.870 0.099 0.000 1.081 7 L CA 0.469 55.371 54.840 0.104 0.000 0.840 7 L CB 0.145 42.240 42.059 0.060 0.000 1.002 7 L HN 0.441 nan 8.230 nan 0.000 0.468 8 K N 0.879 121.356 120.400 0.127 0.000 2.690 8 K HA 0.248 4.575 4.320 0.012 0.000 0.264 8 K C -1.030 175.597 176.600 0.044 0.000 1.040 8 K CA -0.247 56.083 56.287 0.072 0.000 0.946 8 K CB 1.334 33.873 32.500 0.066 0.000 1.268 8 K HN -0.056 nan 8.250 nan 0.000 0.473 9 E N 3.222 123.387 120.200 -0.059 0.000 2.250 9 E HA 0.379 4.736 4.350 0.012 0.000 0.265 9 E C -2.293 174.278 176.600 -0.048 0.000 1.033 9 E CA -2.158 54.137 56.400 -0.176 0.000 0.888 9 E CB 0.878 30.364 29.700 -0.357 0.000 1.151 9 E HN 0.354 nan 8.360 nan 0.000 0.412 10 P HA 0.063 nan 4.420 nan 0.000 0.276 10 P C -0.634 176.687 177.300 0.035 0.000 1.252 10 P CA -0.446 62.701 63.100 0.079 0.000 0.802 10 P CB 0.353 32.178 31.700 0.208 0.000 1.035 11 T N -1.992 112.597 114.554 0.058 0.000 2.813 11 T HA 0.114 4.471 4.350 0.012 0.000 0.297 11 T C 1.086 175.831 174.700 0.074 0.000 1.036 11 T CA -0.318 61.812 62.100 0.050 0.000 1.044 11 T CB -0.008 68.897 68.868 0.060 0.000 0.993 11 T HN 0.267 nan 8.240 nan 0.000 0.535 12 N N 0.061 118.806 118.700 0.074 0.000 2.166 12 N HA -0.052 4.695 4.740 0.012 0.000 0.186 12 N C 0.403 176.059 175.510 0.244 0.000 1.019 12 N CA 0.734 53.869 53.050 0.141 0.000 0.856 12 N CB 0.127 38.684 38.487 0.117 0.000 0.993 12 N HN 0.259 nan 8.380 nan 0.000 0.426 13 R N 0.922 121.520 120.500 0.163 0.000 2.439 13 R HA 0.345 4.692 4.340 0.012 0.000 0.310 13 R C -1.178 175.216 176.300 0.157 0.000 0.955 13 R CA -0.461 55.738 56.100 0.165 0.000 0.853 13 R CB 1.748 32.108 30.300 0.101 0.000 1.171 13 R HN 0.040 nan 8.270 nan 0.000 0.449 14 I N 3.851 124.535 120.570 0.190 0.000 2.466 14 I HA 0.227 4.404 4.170 0.012 0.000 0.279 14 I C -0.650 175.638 176.117 0.285 0.000 1.033 14 I CA -0.516 60.904 61.300 0.200 0.000 1.123 14 I CB 1.622 39.717 38.000 0.159 0.000 1.237 14 I HN 0.393 nan 8.210 nan 0.000 0.460 15 D N 8.008 128.570 120.400 0.269 0.000 2.192 15 D HA 0.667 5.314 4.640 0.012 0.000 0.246 15 D C -0.574 175.915 176.300 0.316 0.000 1.042 15 D CA 0.088 54.227 54.000 0.232 0.000 0.847 15 D CB 2.414 43.343 40.800 0.215 0.000 1.186 15 D HN 0.332 nan 8.370 nan 0.000 0.461 16 F N -1.611 118.307 119.950 -0.053 0.000 2.741 16 F HA 0.435 4.969 4.527 0.012 0.000 0.311 16 F C -0.631 175.111 175.800 -0.097 0.000 1.149 16 F CA -1.210 56.759 58.000 -0.052 0.000 0.930 16 F CB 0.950 39.953 39.000 0.006 0.000 1.312 16 F HN 0.165 nan 8.300 nan 0.000 0.450 17 S N 0.602 116.290 115.700 -0.020 0.000 2.616 17 S HA 0.206 4.683 4.470 0.012 0.000 0.277 17 S C 0.649 175.137 174.600 -0.187 0.000 1.234 17 S CA -0.223 57.865 58.200 -0.186 0.000 1.028 17 S CB 1.369 64.471 63.200 -0.164 0.000 0.988 17 S HN 0.923 nan 8.310 nan 0.000 0.522 18 N N 1.878 120.313 118.700 -0.442 0.000 2.364 18 N HA -0.136 4.611 4.740 0.012 0.000 0.183 18 N C 1.006 176.216 175.510 -0.500 0.000 1.022 18 N CA 1.379 53.905 53.050 -0.872 0.000 0.883 18 N CB -0.672 37.040 38.487 -1.291 0.000 0.965 18 N HN 0.510 nan 8.380 nan 0.000 0.438 19 S N -0.704 114.835 115.700 -0.267 0.000 2.501 19 S HA 0.062 4.539 4.470 0.012 0.000 0.220 19 S C 1.629 176.203 174.600 -0.044 0.000 0.997 19 S CA 0.564 58.680 58.200 -0.140 0.000 0.919 19 S CB 0.140 63.266 63.200 -0.122 0.000 0.778 19 S HN 0.476 nan 8.310 nan 0.000 0.523 20 T N 0.836 115.391 114.554 0.002 0.000 2.901 20 T HA 0.402 4.759 4.350 0.012 0.000 0.252 20 T C 1.048 175.820 174.700 0.120 0.000 1.035 20 T CA 0.842 62.979 62.100 0.061 0.000 1.142 20 T CB -0.408 68.508 68.868 0.082 0.000 0.869 20 T HN 0.599 nan 8.240 nan 0.000 0.442 21 G N 0.973 109.934 108.800 0.269 0.000 2.829 21 G HA2 0.314 4.281 3.960 0.012 0.000 0.628 21 G HA3 0.314 4.281 3.960 0.012 0.000 0.628 21 G C -0.514 174.343 174.900 -0.073 0.000 1.412 21 G CA -0.643 44.634 45.100 0.294 0.000 0.864 21 G HN 1.056 nan 8.290 nan 0.000 0.544 22 A N -0.022 122.529 122.820 -0.447 0.000 2.604 22 A HA 0.877 5.204 4.320 0.012 0.000 0.295 22 A C -0.447 176.947 177.584 -0.318 0.000 1.067 22 A CA 0.522 52.161 52.037 -0.663 0.000 0.683 22 A CB 1.595 19.597 19.000 -1.664 0.000 1.281 22 A HN 1.951 nan 8.150 nan 0.000 0.407 23 E N 0.955 121.036 120.200 -0.198 0.000 2.293 23 E HA 0.721 5.078 4.350 0.012 0.000 0.270 23 E C -1.127 175.427 176.600 -0.077 0.000 0.879 23 E CA -0.799 55.528 56.400 -0.121 0.000 0.756 23 E CB 1.916 31.559 29.700 -0.096 0.000 1.208 23 E HN 0.846 nan 8.360 nan 0.000 0.428 24 I N -0.485 120.038 120.570 -0.080 0.000 2.439 24 I HA 0.481 4.658 4.170 0.012 0.000 0.285 24 I C -0.603 175.575 176.117 0.101 0.000 1.021 24 I CA -0.908 60.398 61.300 0.011 0.000 1.091 24 I CB 1.768 39.793 38.000 0.042 0.000 1.242 24 I HN 0.591 nan 8.210 nan 0.000 0.439 25 E N 5.870 126.167 120.200 0.162 0.000 2.174 25 E HA 0.375 4.732 4.350 0.012 0.000 0.282 25 E C -1.552 175.211 176.600 0.272 0.000 0.992 25 E CA -0.632 55.894 56.400 0.209 0.000 0.803 25 E CB 1.858 31.625 29.700 0.111 0.000 1.090 25 E HN 0.861 nan 8.360 nan 0.000 0.396 26 c N 6.894 125.693 118.600 0.331 0.000 2.291 26 c HA 0.435 5.012 4.570 0.012 0.000 0.322 26 c C -0.702 173.455 174.090 0.111 0.000 1.205 26 c CA -0.785 55.636 56.329 0.153 0.000 1.495 26 c CB 0.016 42.455 42.510 -0.119 0.000 2.127 26 c HN 0.606 nan 8.230 nan 0.000 0.452 27 K N 4.491 124.960 120.400 0.116 0.000 2.235 27 K HA 0.738 5.066 4.320 0.012 0.000 0.266 27 K C -0.644 176.023 176.600 0.111 0.000 0.980 27 K CA 0.069 56.411 56.287 0.091 0.000 0.849 27 K CB 1.598 34.142 32.500 0.073 0.000 1.098 27 K HN 0.859 nan 8.250 nan 0.000 0.445 28 A N 2.548 125.390 122.820 0.036 0.000 2.386 28 A HA 0.495 4.823 4.320 0.012 0.000 0.311 28 A C -0.752 176.794 177.584 -0.063 0.000 1.068 28 A CA -0.626 51.382 52.037 -0.048 0.000 0.743 28 A CB 1.492 20.365 19.000 -0.211 0.000 1.258 28 A HN 0.658 nan 8.150 nan 0.000 0.429 29 S N 0.814 116.470 115.700 -0.074 0.000 2.593 29 S HA 0.902 5.379 4.470 0.012 0.000 0.297 29 S C 0.130 174.677 174.600 -0.088 0.000 1.112 29 S CA 0.337 58.501 58.200 -0.060 0.000 1.043 29 S CB 1.409 64.588 63.200 -0.035 0.000 1.054 29 S HN 2.260 nan 8.310 nan 0.000 0.516 30 G N 1.606 110.365 108.800 -0.070 0.000 2.340 30 G HA2 0.381 4.349 3.960 0.012 0.000 0.299 30 G HA3 0.381 4.349 3.960 0.012 0.000 0.299 30 G C -1.838 173.028 174.900 -0.058 0.000 1.291 30 G CA -0.823 44.230 45.100 -0.078 0.000 0.841 30 G HN 0.851 nan 8.290 nan 0.000 0.500 31 N N 0.654 119.316 118.700 -0.062 0.000 2.812 31 N HA 0.426 5.173 4.740 0.012 0.000 0.262 31 N C -3.106 172.411 175.510 0.011 0.000 1.241 31 N CA -0.975 52.054 53.050 -0.034 0.000 0.854 31 N CB 2.692 41.146 38.487 -0.054 0.000 1.506 31 N HN 0.231 nan 8.380 nan 0.000 0.576 32 P HA -0.017 nan 4.420 nan 0.000 0.270 32 P C -0.133 177.175 177.300 0.012 0.000 1.223 32 P CA -0.153 62.974 63.100 0.045 0.000 0.785 32 P CB 0.611 32.348 31.700 0.062 0.000 0.923 33 M N 3.810 123.410 119.600 0.001 0.000 2.474 33 M HA 0.073 4.560 4.480 0.012 0.000 0.352 33 M C -2.025 174.264 176.300 -0.018 0.000 1.690 33 M CA -1.188 54.105 55.300 -0.013 0.000 1.112 33 M CB -0.141 32.455 32.600 -0.008 0.000 2.062 33 M HN 0.171 nan 8.290 nan 0.000 0.461 34 P HA 0.154 nan 4.420 nan 0.000 0.277 34 P C -1.333 175.939 177.300 -0.046 0.000 1.240 34 P CA -0.239 62.831 63.100 -0.049 0.000 0.798 34 P CB 0.440 32.085 31.700 -0.091 0.000 0.979 35 E N 1.525 121.701 120.200 -0.041 0.000 2.349 35 E HA 0.401 4.758 4.350 0.012 0.000 0.265 35 E C -0.825 175.740 176.600 -0.059 0.000 1.064 35 E CA -0.736 55.643 56.400 -0.034 0.000 0.886 35 E CB 0.342 30.031 29.700 -0.019 0.000 1.036 35 E HN 0.210 nan 8.360 nan 0.000 0.413 36 I N 2.841 123.381 120.570 -0.050 0.000 2.428 36 I HA 0.265 4.442 4.170 0.012 0.000 0.279 36 I C -0.525 175.541 176.117 -0.085 0.000 1.040 36 I CA -0.229 61.010 61.300 -0.102 0.000 1.171 36 I CB 0.673 38.615 38.000 -0.097 0.000 1.312 36 I HN 0.461 nan 8.210 nan 0.000 0.470 37 I N 4.027 124.541 120.570 -0.093 0.000 2.359 37 I HA 0.287 4.465 4.170 0.012 0.000 0.294 37 I C -0.716 175.368 176.117 -0.055 0.000 0.987 37 I CA -0.602 60.692 61.300 -0.010 0.000 1.225 37 I CB 1.126 39.136 38.000 0.017 0.000 1.366 37 I HN 0.447 nan 8.210 nan 0.000 0.466 38 W N 7.094 128.411 121.300 0.029 0.000 2.351 38 W HA 0.528 5.195 4.660 0.012 0.000 0.311 38 W C 0.149 176.715 176.519 0.078 0.000 1.168 38 W CA -0.373 57.002 57.345 0.050 0.000 1.200 38 W CB 0.976 30.435 29.460 -0.001 0.000 1.221 38 W HN 0.288 nan 8.180 nan 0.000 0.519 39 I N 0.036 120.793 120.570 0.312 0.000 2.863 39 I HA 0.695 4.872 4.170 0.012 0.000 0.311 39 I C -0.153 176.130 176.117 0.278 0.000 1.026 39 I CA -1.488 59.950 61.300 0.231 0.000 1.077 39 I CB 1.862 39.941 38.000 0.132 0.000 1.262 39 I HN 0.342 nan 8.210 nan 0.000 0.461 40 R N 1.204 121.812 120.500 0.179 0.000 2.758 40 R HA 0.369 4.716 4.340 0.012 0.000 0.265 40 R C 1.420 177.747 176.300 0.046 0.000 1.016 40 R CA 0.179 56.345 56.100 0.110 0.000 1.040 40 R CB 1.786 32.130 30.300 0.073 0.000 1.152 40 R HN 0.990 nan 8.270 nan 0.000 0.503 41 S N 0.778 116.468 115.700 -0.017 0.000 2.390 41 S HA -0.296 4.181 4.470 0.012 0.000 0.234 41 S C 1.198 175.801 174.600 0.005 0.000 1.063 41 S CA 2.252 60.442 58.200 -0.017 0.000 1.108 41 S CB -0.672 62.501 63.200 -0.045 0.000 0.975 41 S HN 0.840 nan 8.310 nan 0.000 0.442 42 D N 0.389 120.792 120.400 0.004 0.000 2.269 42 D HA 0.304 4.952 4.640 0.012 0.000 0.208 42 D C 1.569 177.877 176.300 0.014 0.000 0.963 42 D CA 0.972 54.976 54.000 0.008 0.000 0.864 42 D CB -0.728 40.075 40.800 0.005 0.000 0.936 42 D HN 0.775 nan 8.370 nan 0.000 0.505 43 G N -1.202 107.613 108.800 0.025 0.000 2.336 43 G HA2 -0.206 3.762 3.960 0.012 0.000 0.194 43 G HA3 -0.206 3.762 3.960 0.012 0.000 0.194 43 G C 0.423 175.344 174.900 0.035 0.000 0.999 43 G CA 0.055 45.171 45.100 0.026 0.000 0.669 43 G HN 0.543 nan 8.290 nan 0.000 0.482 44 T N 1.383 115.959 114.554 0.037 0.000 2.918 44 T HA 0.575 4.933 4.350 0.012 0.000 0.302 44 T C 0.889 175.631 174.700 0.069 0.000 1.045 44 T CA 0.929 63.054 62.100 0.043 0.000 1.114 44 T CB 0.654 69.543 68.868 0.035 0.000 0.965 44 T HN 1.439 nan 8.240 nan 0.000 0.540 45 A N 4.143 127.003 122.820 0.068 0.000 2.409 45 A HA 0.486 4.813 4.320 0.012 0.000 0.267 45 A C 0.590 178.239 177.584 0.108 0.000 1.127 45 A CA -0.630 51.464 52.037 0.094 0.000 0.795 45 A CB -0.207 18.837 19.000 0.072 0.000 1.061 45 A HN 1.093 nan 8.150 nan 0.000 0.502 46 V N 2.203 122.214 119.914 0.162 0.000 2.637 46 V HA 0.628 4.755 4.120 0.012 0.000 0.296 46 V C 0.777 176.923 176.094 0.088 0.000 1.046 46 V CA 0.063 62.458 62.300 0.158 0.000 1.066 46 V CB 0.305 32.282 31.823 0.257 0.000 0.968 46 V HN 1.079 nan 8.190 nan 0.000 0.483 47 G N 2.795 111.626 108.800 0.050 0.000 2.568 47 G HA2 0.529 4.496 3.960 0.012 0.000 0.293 47 G HA3 0.529 4.496 3.960 0.012 0.000 0.293 47 G C -1.070 173.808 174.900 -0.037 0.000 1.347 47 G CA -0.662 44.443 45.100 0.009 0.000 1.039 47 G HN 0.792 nan 8.290 nan 0.000 0.523 48 D N -1.652 118.717 120.400 -0.052 0.000 2.277 48 D HA 0.552 5.200 4.640 0.012 0.000 0.250 48 D C -0.479 175.775 176.300 -0.078 0.000 1.032 48 D CA 0.021 53.967 54.000 -0.089 0.000 0.947 48 D CB 2.035 42.787 40.800 -0.080 0.000 1.159 48 D HN 0.096 nan 8.370 nan 0.000 0.460 49 V N 2.731 122.584 119.914 -0.102 0.000 2.501 49 V HA 0.269 4.397 4.120 0.012 0.000 0.277 49 V C -2.448 173.599 176.094 -0.079 0.000 1.004 49 V CA -1.576 60.673 62.300 -0.085 0.000 0.862 49 V CB 1.492 33.254 31.823 -0.100 0.000 1.035 49 V HN 0.435 nan 8.190 nan 0.000 0.448 50 P HA 0.200 nan 4.420 nan 0.000 0.255 50 P C 1.135 178.422 177.300 -0.022 0.000 1.173 50 P CA 1.873 64.950 63.100 -0.038 0.000 0.780 50 P CB 0.375 32.061 31.700 -0.023 0.000 0.758 51 G N 2.558 111.348 108.800 -0.016 0.000 2.397 51 G HA2 -0.256 3.711 3.960 0.012 0.000 0.211 51 G HA3 -0.256 3.711 3.960 0.012 0.000 0.211 51 G C 0.709 175.632 174.900 0.038 0.000 1.077 51 G CA 0.098 45.213 45.100 0.026 0.000 0.649 51 G HN 0.444 nan 8.290 nan 0.000 0.511 52 L N -0.418 120.788 121.223 -0.029 0.000 2.262 52 L HA 0.460 4.807 4.340 0.012 0.000 0.197 52 L C 1.387 178.187 176.870 -0.116 0.000 1.073 52 L CA 0.689 55.479 54.840 -0.083 0.000 0.800 52 L CB 0.188 42.117 42.059 -0.218 0.000 0.987 52 L HN 0.239 nan 8.230 nan 0.000 0.470 53 R N 0.571 120.953 120.500 -0.198 0.000 2.538 53 R HA 0.424 4.772 4.340 0.012 0.000 0.292 53 R C -1.538 174.557 176.300 -0.341 0.000 1.008 53 R CA -0.333 55.543 56.100 -0.372 0.000 0.896 53 R CB 1.732 31.809 30.300 -0.371 0.000 1.187 53 R HN 0.107 nan 8.270 nan 0.000 0.440 54 Q N 4.531 124.076 119.800 -0.425 0.000 2.323 54 Q HA 0.408 4.755 4.340 0.012 0.000 0.271 54 Q C -0.781 175.001 176.000 -0.363 0.000 1.048 54 Q CA -0.771 54.851 55.803 -0.302 0.000 0.792 54 Q CB 3.105 31.722 28.738 -0.202 0.000 1.280 54 Q HN 0.557 nan 8.270 nan 0.000 0.441 55 I N 1.655 122.070 120.570 -0.258 0.000 2.301 55 I HA 0.205 4.382 4.170 0.012 0.000 0.292 55 I C 0.267 176.316 176.117 -0.113 0.000 1.046 55 I CA 0.086 61.260 61.300 -0.211 0.000 1.282 55 I CB 1.192 39.132 38.000 -0.099 0.000 1.409 55 I HN 0.498 nan 8.210 nan 0.000 0.484 56 S N 3.781 119.419 115.700 -0.104 0.000 2.748 56 S HA 0.511 4.988 4.470 0.012 0.000 0.299 56 S C 0.318 174.922 174.600 0.006 0.000 1.119 56 S CA -0.509 57.660 58.200 -0.052 0.000 0.997 56 S CB 1.241 64.399 63.200 -0.070 0.000 1.223 56 S HN 0.569 nan 8.310 nan 0.000 0.541 57 S N 1.292 116.997 115.700 0.009 0.000 2.617 57 S HA 0.200 4.678 4.470 0.012 0.000 0.259 57 S C 0.050 174.679 174.600 0.049 0.000 1.301 57 S CA 0.045 58.261 58.200 0.027 0.000 0.984 57 S CB 0.048 63.257 63.200 0.015 0.000 0.954 57 S HN 0.861 nan 8.310 nan 0.000 0.572 58 D N -0.084 120.346 120.400 0.051 0.000 2.911 58 D HA -0.163 4.484 4.640 0.012 0.000 0.227 58 D C 0.808 177.170 176.300 0.104 0.000 1.164 58 D CA 1.585 55.621 54.000 0.060 0.000 0.782 58 D CB -1.489 39.340 40.800 0.049 0.000 1.094 58 D HN 1.171 nan 8.370 nan 0.000 0.425 59 G N 0.198 109.084 108.800 0.142 0.000 2.283 59 G HA2 -0.370 3.597 3.960 0.012 0.000 0.280 59 G HA3 -0.370 3.597 3.960 0.012 0.000 0.280 59 G C 0.198 175.384 174.900 0.477 0.000 1.029 59 G CA 0.755 46.023 45.100 0.280 0.000 0.840 59 G HN 0.533 nan 8.290 nan 0.000 0.505 60 K N -0.232 120.317 120.400 0.248 0.000 2.267 60 K HA 0.433 4.760 4.320 0.012 0.000 0.282 60 K C 0.011 176.537 176.600 -0.123 0.000 1.078 60 K CA -0.839 55.513 56.287 0.108 0.000 0.903 60 K CB 1.302 33.814 32.500 0.021 0.000 1.111 60 K HN 0.165 nan 8.250 nan 0.000 0.475 61 L N 4.999 125.948 121.223 -0.457 0.000 2.260 61 L HA 0.222 4.569 4.340 0.012 0.000 0.289 61 L C -0.932 175.492 176.870 -0.743 0.000 1.057 61 L CA -0.280 53.979 54.840 -0.969 0.000 0.811 61 L CB 1.095 41.980 42.059 -1.956 0.000 1.184 61 L HN 0.249 nan 8.230 nan 0.000 0.429 62 V N 6.350 125.851 119.914 -0.689 0.000 2.435 62 V HA 0.411 4.538 4.120 0.012 0.000 0.290 62 V C -0.518 175.175 176.094 -0.669 0.000 1.030 62 V CA -0.257 61.748 62.300 -0.492 0.000 0.881 62 V CB 1.284 32.943 31.823 -0.273 0.000 0.983 62 V HN 0.538 nan 8.190 nan 0.000 0.445 63 F N 5.867 125.703 119.950 -0.191 0.000 2.359 63 F HA 0.482 5.016 4.527 0.012 0.000 0.370 63 F C -2.186 173.668 175.800 0.091 0.000 1.077 63 F CA -2.396 55.587 58.000 -0.029 0.000 1.136 63 F CB 1.017 40.082 39.000 0.108 0.000 1.387 63 F HN 0.346 nan 8.300 nan 0.000 0.468 64 P HA 0.199 nan 4.420 nan 0.000 0.274 64 P C -2.527 175.014 177.300 0.401 0.000 1.256 64 P CA -1.371 61.857 63.100 0.214 0.000 0.795 64 P CB 0.061 31.834 31.700 0.121 0.000 1.038 65 P HA 0.162 nan 4.420 nan 0.000 0.268 65 P C -0.837 176.682 177.300 0.366 0.000 1.208 65 P CA 0.544 63.806 63.100 0.269 0.000 0.777 65 P CB 0.016 31.783 31.700 0.112 0.000 0.875 66 F N -1.658 118.339 119.950 0.077 0.000 2.779 66 F HA 0.633 5.167 4.527 0.012 0.000 0.316 66 F C -0.783 175.032 175.800 0.024 0.000 1.164 66 F CA -1.452 56.587 58.000 0.064 0.000 0.924 66 F CB 1.193 40.257 39.000 0.106 0.000 1.348 66 F HN 0.024 nan 8.300 nan 0.000 0.467 67 R N 0.612 121.208 120.500 0.160 0.000 2.573 67 R HA 0.708 5.056 4.340 0.012 0.000 0.272 67 R C 0.765 177.137 176.300 0.121 0.000 1.009 67 R CA -0.388 55.736 56.100 0.039 0.000 1.059 67 R CB 1.515 31.858 30.300 0.070 0.000 1.112 67 R HN 0.929 nan 8.270 nan 0.000 0.517 68 A N 1.936 124.771 122.820 0.024 0.000 1.884 68 A HA -0.297 4.030 4.320 0.012 0.000 0.219 68 A C 1.984 179.669 177.584 0.169 0.000 1.197 68 A CA 2.215 54.289 52.037 0.061 0.000 0.637 68 A CB -0.802 18.194 19.000 -0.006 0.000 0.827 68 A HN 0.958 nan 8.150 nan 0.000 0.450 69 E N -0.538 119.739 120.200 0.128 0.000 2.171 69 E HA -0.260 4.098 4.350 0.012 0.000 0.197 69 E C 0.791 177.499 176.600 0.179 0.000 0.997 69 E CA 1.466 57.944 56.400 0.131 0.000 0.810 69 E CB -0.540 29.213 29.700 0.088 0.000 0.738 69 E HN 0.571 nan 8.360 nan 0.000 0.467 70 D N 0.061 120.605 120.400 0.241 0.000 2.347 70 D HA -0.082 4.565 4.640 0.012 0.000 0.215 70 D C 0.039 176.492 176.300 0.255 0.000 0.976 70 D CA 0.301 54.448 54.000 0.244 0.000 0.884 70 D CB -0.282 40.694 40.800 0.293 0.000 0.915 70 D HN 0.254 nan 8.370 nan 0.000 0.526 71 Y N 2.215 122.665 120.300 0.251 0.000 2.620 71 Y HA 0.022 4.580 4.550 0.012 0.000 0.330 71 Y C 0.020 176.007 175.900 0.144 0.000 1.186 71 Y CA 0.275 58.498 58.100 0.205 0.000 1.467 71 Y CB 0.313 38.919 38.460 0.243 0.000 1.262 71 Y HN -0.294 nan 8.280 nan 0.000 0.550 72 R N 6.075 126.262 120.500 -0.522 0.000 2.510 72 R HA 0.069 4.416 4.340 0.012 0.000 0.294 72 R C 0.677 176.629 176.300 -0.581 0.000 1.056 72 R CA -0.682 55.170 56.100 -0.413 0.000 0.918 72 R CB 1.718 31.904 30.300 -0.191 0.000 1.187 72 R HN 0.871 nan 8.270 nan 0.000 0.437 73 Q N 2.805 122.366 119.800 -0.399 0.000 2.062 73 Q HA -0.302 4.045 4.340 0.012 0.000 0.209 73 Q C 1.283 177.187 176.000 -0.159 0.000 0.996 73 Q CA 2.686 58.369 55.803 -0.201 0.000 0.859 73 Q CB 0.180 28.918 28.738 -0.000 0.000 0.920 73 Q HN 0.736 nan 8.270 nan 0.000 0.415 74 E N -1.117 119.006 120.200 -0.129 0.000 2.169 74 E HA -0.229 4.129 4.350 0.012 0.000 0.202 74 E C 1.759 178.302 176.600 -0.095 0.000 1.016 74 E CA 1.917 58.259 56.400 -0.097 0.000 0.817 74 E CB -0.232 29.425 29.700 -0.072 0.000 0.736 74 E HN 0.280 nan 8.360 nan 0.000 0.462 75 V N 0.088 119.910 119.914 -0.154 0.000 2.690 75 V HA -0.043 4.085 4.120 0.012 0.000 0.240 75 V C 1.417 177.435 176.094 -0.127 0.000 1.078 75 V CA 1.364 63.604 62.300 -0.100 0.000 1.102 75 V CB -0.263 31.371 31.823 -0.315 0.000 0.800 75 V HN 0.295 nan 8.190 nan 0.000 0.479 76 H N -0.133 118.812 119.070 -0.207 0.000 2.539 76 H HA 0.548 5.112 4.556 0.012 0.000 0.269 76 H C 0.670 175.937 175.328 -0.102 0.000 0.980 76 H CA 0.596 56.508 56.048 -0.228 0.000 1.152 76 H CB 0.344 29.867 29.762 -0.398 0.000 1.407 76 H HN 0.399 nan 8.280 nan 0.000 0.564 77 A N 0.989 123.814 122.820 0.009 0.000 3.409 77 A HA 0.346 4.673 4.320 0.012 0.000 0.282 77 A C -0.587 176.988 177.584 -0.015 0.000 1.064 77 A CA -0.486 51.586 52.037 0.057 0.000 0.889 77 A CB 0.389 19.472 19.000 0.138 0.000 1.251 77 A HN 0.205 nan 8.150 nan 0.000 0.538 78 Q N -0.103 119.653 119.800 -0.073 0.000 2.456 78 Q HA 0.639 4.987 4.340 0.012 0.000 0.283 78 Q C -1.572 174.238 176.000 -0.317 0.000 1.084 78 Q CA -0.491 55.148 55.803 -0.273 0.000 0.801 78 Q CB 2.323 30.728 28.738 -0.554 0.000 1.434 78 Q HN 0.372 nan 8.270 nan 0.000 0.419 79 V N 4.269 123.984 119.914 -0.332 0.000 2.304 79 V HA 0.357 4.484 4.120 0.012 0.000 0.262 79 V C -0.809 175.128 176.094 -0.262 0.000 1.061 79 V CA -0.366 61.795 62.300 -0.231 0.000 0.872 79 V CB -0.687 31.055 31.823 -0.135 0.000 1.077 79 V HN 0.628 nan 8.190 nan 0.000 0.480 80 Y N 2.366 122.708 120.300 0.070 0.000 2.458 80 Y HA 0.806 5.364 4.550 0.012 0.000 0.322 80 Y C 0.502 176.511 175.900 0.182 0.000 1.259 80 Y CA -0.666 57.535 58.100 0.168 0.000 1.302 80 Y CB 1.655 40.262 38.460 0.244 0.000 1.314 80 Y HN 0.626 nan 8.280 nan 0.000 0.509 81 A N 0.248 123.352 122.820 0.472 0.000 2.540 81 A HA 0.470 4.797 4.320 0.012 0.000 0.297 81 A C -1.541 176.159 177.584 0.194 0.000 1.056 81 A CA -0.846 51.361 52.037 0.283 0.000 0.700 81 A CB 0.432 19.527 19.000 0.158 0.000 1.280 81 A HN 0.899 nan 8.150 nan 0.000 0.398 82 c N 3.372 121.876 118.600 -0.160 0.000 2.435 82 c HA 0.741 5.319 4.570 0.012 0.000 0.375 82 c C -0.291 173.683 174.090 -0.192 0.000 1.281 82 c CA -0.305 55.608 56.329 -0.693 0.000 1.963 82 c CB -0.345 41.523 42.510 -1.069 0.000 2.490 82 c HN 1.121 nan 8.230 nan 0.000 0.557 83 L N 7.182 128.286 121.223 -0.198 0.000 2.345 83 L HA 0.728 5.075 4.340 0.012 0.000 0.274 83 L C 0.056 176.862 176.870 -0.107 0.000 0.999 83 L CA -0.227 54.593 54.840 -0.033 0.000 0.849 83 L CB 0.749 42.798 42.059 -0.016 0.000 1.220 83 L HN 0.912 nan 8.230 nan 0.000 0.422 84 A N 5.806 128.542 122.820 -0.141 0.000 2.301 84 A HA 0.893 5.220 4.320 0.012 0.000 0.312 84 A C -0.343 177.111 177.584 -0.218 0.000 1.182 84 A CA -0.600 51.289 52.037 -0.247 0.000 0.826 84 A CB 0.657 19.386 19.000 -0.452 0.000 1.134 84 A HN 0.815 nan 8.150 nan 0.000 0.501 85 R N 1.845 122.257 120.500 -0.147 0.000 2.594 85 R HA 0.370 4.718 4.340 0.012 0.000 0.265 85 R C -1.711 174.552 176.300 -0.062 0.000 1.070 85 R CA -0.486 55.555 56.100 -0.099 0.000 0.909 85 R CB 1.281 31.540 30.300 -0.069 0.000 1.243 85 R HN 0.968 nan 8.270 nan 0.000 0.455 86 N N 1.478 120.159 118.700 -0.031 0.000 2.577 86 N HA 0.084 4.831 4.740 0.012 0.000 0.285 86 N C 0.226 175.754 175.510 0.029 0.000 1.309 86 N CA -0.699 52.355 53.050 0.007 0.000 0.798 86 N CB 0.908 39.415 38.487 0.032 0.000 1.463 86 N HN 0.673 nan 8.380 nan 0.000 0.518 87 Q N -1.030 118.789 119.800 0.031 0.000 2.308 87 Q HA -0.044 4.303 4.340 0.012 0.000 0.209 87 Q C 0.764 176.749 176.000 -0.025 0.000 0.985 87 Q CA 1.565 57.363 55.803 -0.008 0.000 0.881 87 Q CB -0.516 28.203 28.738 -0.031 0.000 0.917 87 Q HN 0.574 nan 8.270 nan 0.000 0.443 88 F N 0.227 120.156 119.950 -0.035 0.000 2.293 88 F HA 0.300 4.834 4.527 0.012 0.000 0.297 88 F C 1.280 177.054 175.800 -0.043 0.000 1.089 88 F CA 1.356 59.337 58.000 -0.032 0.000 1.377 88 F CB 0.404 39.387 39.000 -0.029 0.000 1.051 88 F HN 0.295 nan 8.300 nan 0.000 0.511 89 G N -1.633 107.249 108.800 0.137 0.000 2.342 89 G HA2 0.430 4.397 3.960 0.012 0.000 0.297 89 G HA3 0.430 4.397 3.960 0.012 0.000 0.297 89 G C -1.653 173.236 174.900 -0.019 0.000 1.313 89 G CA -0.659 44.465 45.100 0.041 0.000 0.830 89 G HN -0.054 nan 8.290 nan 0.000 0.506 90 S N -0.610 115.058 115.700 -0.053 0.000 2.548 90 S HA 0.810 5.287 4.470 0.012 0.000 0.286 90 S C -0.510 174.038 174.600 -0.087 0.000 1.098 90 S CA -0.617 57.539 58.200 -0.074 0.000 0.930 90 S CB 1.492 64.657 63.200 -0.059 0.000 1.070 90 S HN 1.214 nan 8.310 nan 0.000 0.480 91 I N 0.027 120.533 120.570 -0.107 0.000 2.610 91 I HA 0.600 4.777 4.170 0.012 0.000 0.289 91 I C -0.949 175.223 176.117 0.093 0.000 1.163 91 I CA -1.186 60.084 61.300 -0.048 0.000 1.044 91 I CB 1.453 39.354 38.000 -0.165 0.000 1.251 91 I HN 0.695 nan 8.210 nan 0.000 0.424 92 I N 2.571 123.270 120.570 0.215 0.000 2.359 92 I HA 0.636 4.813 4.170 0.012 0.000 0.294 92 I C 0.697 177.059 176.117 0.409 0.000 0.987 92 I CA -0.322 61.145 61.300 0.279 0.000 1.225 92 I CB 1.802 39.885 38.000 0.138 0.000 1.366 92 I HN 0.795 nan 8.210 nan 0.000 0.466 93 S N 5.647 121.467 115.700 0.200 0.000 2.617 93 S HA 0.314 4.791 4.470 0.012 0.000 0.255 93 S C 0.493 175.030 174.600 -0.106 0.000 1.318 93 S CA -0.760 57.241 58.200 -0.332 0.000 0.978 93 S CB 0.501 63.289 63.200 -0.686 0.000 0.961 93 S HN 0.914 nan 8.310 nan 0.000 0.582 94 R N 0.183 120.488 120.500 -0.325 0.000 2.863 94 R HA 0.199 4.546 4.340 0.012 0.000 0.273 94 R C -1.164 175.048 176.300 -0.147 0.000 1.057 94 R CA -0.376 55.517 56.100 -0.345 0.000 1.191 94 R CB -0.464 29.612 30.300 -0.372 0.000 1.104 94 R HN 0.519 nan 8.270 nan 0.000 0.519 95 D N 0.678 121.001 120.400 -0.128 0.000 2.390 95 D HA 0.158 4.806 4.640 0.012 0.000 0.249 95 D C -0.597 175.621 176.300 -0.136 0.000 1.144 95 D CA -0.144 53.785 54.000 -0.118 0.000 0.880 95 D CB 1.216 41.900 40.800 -0.195 0.000 1.182 95 D HN 0.256 nan 8.370 nan 0.000 0.451 96 V N 3.212 123.090 119.914 -0.061 0.000 2.334 96 V HA 0.141 4.268 4.120 0.012 0.000 0.281 96 V C -0.377 175.720 176.094 0.004 0.000 1.016 96 V CA -0.793 61.536 62.300 0.048 0.000 0.832 96 V CB 0.609 32.571 31.823 0.232 0.000 0.999 96 V HN 0.470 nan 8.190 nan 0.000 0.439 97 H N 2.813 121.956 119.070 0.122 0.000 2.864 97 H HA 0.403 4.966 4.556 0.012 0.000 0.281 97 H C -0.147 175.260 175.328 0.132 0.000 1.093 97 H CA -0.206 55.903 56.048 0.102 0.000 1.453 97 H CB 1.055 30.859 29.762 0.070 0.000 1.462 97 H HN 0.423 nan 8.280 nan 0.000 0.480 98 V N 4.946 124.999 119.914 0.231 0.000 2.383 98 V HA 0.259 4.386 4.120 0.012 0.000 0.275 98 V C 0.279 176.444 176.094 0.118 0.000 1.036 98 V CA -0.492 61.912 62.300 0.173 0.000 0.889 98 V CB 0.921 32.808 31.823 0.106 0.000 0.985 98 V HN 0.738 nan 8.190 nan 0.000 0.459 99 R N 4.618 125.185 120.500 0.111 0.000 2.415 99 R HA 0.647 4.994 4.340 0.012 0.000 0.292 99 R C -0.292 175.888 176.300 -0.200 0.000 1.295 99 R CA -0.324 55.803 56.100 0.044 0.000 1.137 99 R CB 0.933 31.317 30.300 0.141 0.000 1.135 99 R HN 0.767 nan 8.270 nan 0.000 0.560 100 A N 3.193 125.798 122.820 -0.359 0.000 2.366 100 A HA 0.488 4.815 4.320 0.012 0.000 0.272 100 A C -0.532 176.899 177.584 -0.254 0.000 1.135 100 A CA -0.355 51.247 52.037 -0.724 0.000 0.804 100 A CB 0.961 19.641 19.000 -0.533 0.000 1.064 100 A HN 0.422 nan 8.150 nan 0.000 0.499 101 V N 4.185 123.857 119.914 -0.403 0.000 2.443 101 V HA 0.228 4.355 4.120 0.012 0.000 0.293 101 V C 0.017 175.901 176.094 -0.350 0.000 1.021 101 V CA -0.706 61.385 62.300 -0.350 0.000 0.848 101 V CB 1.487 32.981 31.823 -0.548 0.000 0.998 101 V HN 0.654 nan 8.190 nan 0.000 0.424 102 V N 4.010 123.725 119.914 -0.332 0.000 2.529 102 V HA 0.250 4.377 4.120 0.012 0.000 0.292 102 V C 1.186 177.129 176.094 -0.252 0.000 1.028 102 V CA 0.028 62.135 62.300 -0.323 0.000 1.074 102 V CB 1.232 32.878 31.823 -0.294 0.000 0.958 102 V HN 1.055 nan 8.190 nan 0.000 0.481 103 A N 5.431 128.097 122.820 -0.257 0.000 2.526 103 A HA 0.153 4.480 4.320 0.012 0.000 0.287 103 A C 0.281 177.794 177.584 -0.118 0.000 1.232 103 A CA 0.376 52.279 52.037 -0.223 0.000 0.900 103 A CB -0.499 18.367 19.000 -0.223 0.000 1.077 103 A HN 0.886 nan 8.150 nan 0.000 0.535 104 Q N 1.435 121.205 119.800 -0.050 0.000 2.248 104 Q HA 0.498 4.845 4.340 0.012 0.000 0.263 104 Q C -0.952 175.164 176.000 0.194 0.000 1.007 104 Q CA -0.836 55.002 55.803 0.060 0.000 0.877 104 Q CB 1.207 29.983 28.738 0.062 0.000 1.315 104 Q HN 0.714 nan 8.270 nan 0.000 0.454 105 Y N 2.683 123.046 120.300 0.104 0.000 2.346 105 Y HA 0.299 4.856 4.550 0.012 0.000 0.330 105 Y C -1.421 174.650 175.900 0.285 0.000 1.178 105 Y CA -0.259 57.934 58.100 0.155 0.000 1.331 105 Y CB 0.332 38.834 38.460 0.069 0.000 1.253 105 Y HN 0.548 nan 8.280 nan 0.000 0.529 106 Y N 2.358 122.251 120.300 -0.678 0.000 2.544 106 Y HA 0.607 5.165 4.550 0.012 0.000 0.342 106 Y C -1.876 173.530 175.900 -0.823 0.000 1.062 106 Y CA -1.266 56.425 58.100 -0.681 0.000 1.023 106 Y CB 1.386 39.699 38.460 -0.244 0.000 1.308 106 Y HN 0.634 nan 8.280 nan 0.000 0.457 107 E N 2.749 122.487 120.200 -0.770 0.000 2.241 107 E HA 0.757 5.114 4.350 0.012 0.000 0.263 107 E C -1.333 175.093 176.600 -0.290 0.000 0.882 107 E CA -1.309 54.757 56.400 -0.556 0.000 0.769 107 E CB 2.181 31.706 29.700 -0.292 0.000 1.185 107 E HN 0.936 nan 8.360 nan 0.000 0.415 108 A N 3.681 126.345 122.820 -0.260 0.000 2.371 108 A HA 0.305 4.632 4.320 0.012 0.000 0.257 108 A C -0.472 177.059 177.584 -0.088 0.000 1.089 108 A CA -0.370 51.596 52.037 -0.118 0.000 0.794 108 A CB 0.432 19.373 19.000 -0.098 0.000 1.029 108 A HN 0.711 nan 8.150 nan 0.000 0.488 109 D N 0.315 120.689 120.400 -0.044 0.000 2.340 109 D HA 0.551 5.198 4.640 0.012 0.000 0.240 109 D C -1.176 175.145 176.300 0.034 0.000 1.001 109 D CA -0.084 53.912 54.000 -0.007 0.000 0.888 109 D CB 2.091 42.894 40.800 0.005 0.000 1.310 109 D HN 0.167 nan 8.370 nan 0.000 0.474 110 V N 2.924 122.879 119.914 0.069 0.000 2.447 110 V HA 0.275 4.402 4.120 0.012 0.000 0.292 110 V C -0.151 176.016 176.094 0.121 0.000 1.021 110 V CA -0.916 61.470 62.300 0.144 0.000 0.850 110 V CB 1.564 33.531 31.823 0.241 0.000 1.005 110 V HN 0.393 nan 8.190 nan 0.000 0.426 111 N N 2.633 121.400 118.700 0.112 0.000 2.478 111 N HA 0.451 5.198 4.740 0.012 0.000 0.275 111 N C -0.202 175.358 175.510 0.082 0.000 1.221 111 N CA -0.779 52.323 53.050 0.086 0.000 0.979 111 N CB 1.184 39.718 38.487 0.078 0.000 1.202 111 N HN 0.507 nan 8.380 nan 0.000 0.564 112 K N 0.725 121.158 120.400 0.055 0.000 2.484 112 K HA -0.023 4.304 4.320 0.012 0.000 0.280 112 K C -0.160 176.442 176.600 0.004 0.000 1.013 112 K CA 0.497 56.783 56.287 -0.002 0.000 1.029 112 K CB 0.264 32.737 32.500 -0.045 0.000 0.902 112 K HN 0.398 nan 8.250 nan 0.000 0.481 113 E N 2.737 122.911 120.200 -0.042 0.000 2.165 113 E HA 0.141 4.499 4.350 0.012 0.000 0.266 113 E C -1.224 175.325 176.600 -0.084 0.000 0.889 113 E CA -0.542 55.858 56.400 0.000 0.000 0.756 113 E CB 0.641 30.353 29.700 0.020 0.000 1.131 113 E HN 0.425 nan 8.360 nan 0.000 0.411 114 H N 3.037 122.127 119.070 0.033 0.000 2.489 114 H HA 0.460 5.024 4.556 0.012 0.000 0.322 114 H C -0.352 174.989 175.328 0.022 0.000 1.091 114 H CA -0.622 55.443 56.048 0.028 0.000 1.291 114 H CB 1.152 30.930 29.762 0.025 0.000 1.436 114 H HN 0.340 nan 8.280 nan 0.000 0.480 115 V N 1.643 121.620 119.914 0.105 0.000 2.789 115 V HA 0.420 4.548 4.120 0.012 0.000 0.311 115 V C 0.091 176.221 176.094 0.060 0.000 1.073 115 V CA -1.092 61.248 62.300 0.067 0.000 0.921 115 V CB 2.266 34.104 31.823 0.024 0.000 1.009 115 V HN 0.588 nan 8.190 nan 0.000 0.426 116 I N 3.518 124.123 120.570 0.058 0.000 2.322 116 I HA 0.326 4.504 4.170 0.012 0.000 0.292 116 I C 1.056 177.199 176.117 0.043 0.000 1.060 116 I CA -0.325 60.999 61.300 0.042 0.000 1.309 116 I CB 0.717 38.753 38.000 0.060 0.000 1.415 116 I HN 0.839 nan 8.210 nan 0.000 0.492 117 R N 5.770 126.277 120.500 0.012 0.000 2.695 117 R HA -0.110 4.237 4.340 0.012 0.000 0.304 117 R C 0.976 177.314 176.300 0.064 0.000 0.836 117 R CA 1.470 57.580 56.100 0.017 0.000 1.135 117 R CB -0.144 30.148 30.300 -0.013 0.000 0.882 117 R HN 1.027 nan 8.270 nan 0.000 0.413 118 G N 3.038 111.872 108.800 0.057 0.000 2.612 118 G HA2 -0.249 3.718 3.960 0.012 0.000 0.200 118 G HA3 -0.249 3.718 3.960 0.012 0.000 0.200 118 G C 0.009 174.946 174.900 0.062 0.000 1.053 118 G CA -0.060 45.087 45.100 0.077 0.000 0.707 118 G HN 0.652 nan 8.290 nan 0.000 0.497 119 N N 1.001 119.747 118.700 0.076 0.000 2.371 119 N HA 0.419 5.167 4.740 0.012 0.000 0.243 119 N C -0.153 175.364 175.510 0.012 0.000 1.287 119 N CA 0.660 53.756 53.050 0.076 0.000 0.911 119 N CB 0.529 39.075 38.487 0.099 0.000 1.142 119 N HN 0.313 nan 8.380 nan 0.000 0.451 120 S N 0.107 115.806 115.700 -0.002 0.000 2.585 120 S HA 0.486 4.964 4.470 0.012 0.000 0.277 120 S C -0.159 174.330 174.600 -0.185 0.000 1.241 120 S CA -0.850 57.267 58.200 -0.139 0.000 1.041 120 S CB 1.522 64.625 63.200 -0.160 0.000 0.987 120 S HN 0.626 nan 8.310 nan 0.000 0.512 121 A N 1.953 124.588 122.820 -0.307 0.000 2.320 121 A HA 0.774 5.101 4.320 0.012 0.000 0.334 121 A C -0.950 176.426 177.584 -0.346 0.000 1.147 121 A CA -0.655 51.230 52.037 -0.253 0.000 0.820 121 A CB 0.879 19.753 19.000 -0.209 0.000 1.218 121 A HN 0.622 nan 8.150 nan 0.000 0.482 122 V N 3.837 123.633 119.914 -0.197 0.000 2.385 122 V HA 0.218 4.345 4.120 0.012 0.000 0.277 122 V C -0.738 175.276 176.094 -0.133 0.000 1.012 122 V CA -0.404 61.805 62.300 -0.152 0.000 0.832 122 V CB 1.003 32.812 31.823 -0.024 0.000 1.028 122 V HN 0.700 nan 8.190 nan 0.000 0.436 123 I N 4.718 125.133 120.570 -0.258 0.000 2.379 123 I HA 0.308 4.485 4.170 0.012 0.000 0.290 123 I C 0.542 176.613 176.117 -0.076 0.000 1.063 123 I CA -0.034 61.130 61.300 -0.227 0.000 1.351 123 I CB 0.671 38.382 38.000 -0.481 0.000 1.410 123 I HN 0.546 nan 8.210 nan 0.000 0.505 124 K N 5.079 125.553 120.400 0.125 0.000 2.156 124 K HA 0.344 4.672 4.320 0.012 0.000 0.271 124 K C -0.476 176.348 176.600 0.373 0.000 0.995 124 K CA -0.501 55.930 56.287 0.240 0.000 0.890 124 K CB 1.897 34.480 32.500 0.139 0.000 1.073 124 K HN 0.611 nan 8.250 nan 0.000 0.454 125 c N 5.859 124.690 118.600 0.385 0.000 2.168 125 c HA 0.325 4.903 4.570 0.012 0.000 0.333 125 c C 0.047 174.177 174.090 0.067 0.000 1.106 125 c CA -0.784 55.647 56.329 0.169 0.000 1.574 125 c CB -1.532 40.913 42.510 -0.109 0.000 2.055 125 c HN 0.722 nan 8.230 nan 0.000 0.473 126 L N 7.380 128.637 121.223 0.057 0.000 2.456 126 L HA 0.339 4.687 4.340 0.012 0.000 0.277 126 L C 0.269 177.124 176.870 -0.024 0.000 1.124 126 L CA 0.444 55.294 54.840 0.018 0.000 0.880 126 L CB 0.230 42.304 42.059 0.024 0.000 1.192 126 L HN 0.577 nan 8.230 nan 0.000 0.463 127 I N 5.277 125.818 120.570 -0.048 0.000 2.412 127 I HA 0.316 4.493 4.170 0.012 0.000 0.296 127 I C -1.898 174.122 176.117 -0.162 0.000 0.987 127 I CA -2.180 59.072 61.300 -0.081 0.000 1.180 127 I CB 1.653 39.599 38.000 -0.089 0.000 1.340 127 I HN 0.345 nan 8.210 nan 0.000 0.455 128 P HA -0.020 nan 4.420 nan 0.000 0.260 128 P C 0.834 177.804 177.300 -0.550 0.000 1.185 128 P CA 0.123 62.918 63.100 -0.508 0.000 0.763 128 P CB 0.546 31.702 31.700 -0.908 0.000 0.776 129 S N 3.748 119.250 115.700 -0.330 0.000 2.380 129 S HA -0.284 4.193 4.470 0.012 0.000 0.229 129 S C 1.614 176.103 174.600 -0.184 0.000 1.043 129 S CA 1.688 59.775 58.200 -0.190 0.000 1.038 129 S CB -1.546 61.621 63.200 -0.055 0.000 0.872 129 S HN 0.523 nan 8.310 nan 0.000 0.456 130 F N 2.396 122.316 119.950 -0.050 0.000 2.546 130 F HA 0.272 4.806 4.527 0.012 0.000 0.298 130 F C 1.777 177.549 175.800 -0.047 0.000 1.120 130 F CA 0.375 58.349 58.000 -0.045 0.000 1.456 130 F CB -0.763 38.226 39.000 -0.018 0.000 1.088 130 F HN 0.236 nan 8.300 nan 0.000 0.572 131 V N -2.940 116.785 119.914 -0.315 0.000 3.528 131 V HA 0.558 4.685 4.120 0.012 0.000 0.294 131 V C 2.194 178.097 176.094 -0.320 0.000 1.404 131 V CA 0.096 62.280 62.300 -0.193 0.000 1.065 131 V CB -0.476 31.199 31.823 -0.248 0.000 0.904 131 V HN 0.272 nan 8.190 nan 0.000 0.435 132 A N 1.800 124.424 122.820 -0.326 0.000 1.894 132 A HA -0.348 3.979 4.320 0.012 0.000 0.220 132 A C 1.794 179.145 177.584 -0.388 0.000 1.237 132 A CA 2.892 54.747 52.037 -0.303 0.000 0.660 132 A CB -1.146 17.711 19.000 -0.238 0.000 0.835 132 A HN 0.579 nan 8.150 nan 0.000 0.461 133 D N -1.105 118.962 120.400 -0.554 0.000 2.239 133 D HA -0.156 4.491 4.640 0.012 0.000 0.202 133 D C 0.940 176.735 176.300 -0.842 0.000 0.993 133 D CA 1.377 54.903 54.000 -0.791 0.000 0.874 133 D CB -0.347 39.744 40.800 -1.181 0.000 0.922 133 D HN 0.601 nan 8.370 nan 0.000 0.464 134 F N -0.731 119.036 119.950 -0.305 0.000 2.706 134 F HA 0.267 4.801 4.527 0.012 0.000 0.313 134 F C 0.220 175.630 175.800 -0.649 0.000 1.096 134 F CA -0.405 57.312 58.000 -0.470 0.000 1.219 134 F CB 0.571 39.213 39.000 -0.597 0.000 1.051 134 F HN -0.330 nan 8.300 nan 0.000 0.568 135 V N 1.647 121.332 119.914 -0.382 0.000 2.638 135 V HA 0.462 4.589 4.120 0.012 0.000 0.306 135 V C -0.513 175.469 176.094 -0.188 0.000 1.052 135 V CA -0.950 61.142 62.300 -0.346 0.000 0.885 135 V CB 2.206 33.740 31.823 -0.481 0.000 0.999 135 V HN 0.264 nan 8.190 nan 0.000 0.424 136 E N 3.361 123.498 120.200 -0.106 0.000 2.416 136 E HA 0.728 5.085 4.350 0.012 0.000 0.273 136 E C -1.532 175.044 176.600 -0.041 0.000 0.935 136 E CA -0.996 55.367 56.400 -0.063 0.000 0.784 136 E CB 2.302 31.977 29.700 -0.042 0.000 1.301 136 E HN 0.234 nan 8.360 nan 0.000 0.454 137 V N 1.825 121.712 119.914 -0.044 0.000 2.614 137 V HA 0.022 4.150 4.120 0.012 0.000 0.291 137 V C 0.663 176.728 176.094 -0.049 0.000 1.049 137 V CA -0.007 62.239 62.300 -0.090 0.000 1.038 137 V CB 1.174 32.939 31.823 -0.096 0.000 0.980 137 V HN 0.714 nan 8.190 nan 0.000 0.481 138 V N 2.461 122.325 119.914 -0.085 0.000 2.854 138 V HA 0.238 4.365 4.120 0.012 0.000 0.236 138 V C 0.538 176.584 176.094 -0.080 0.000 1.157 138 V CA 1.006 63.297 62.300 -0.015 0.000 1.187 138 V CB 0.840 32.678 31.823 0.026 0.000 0.949 138 V HN 0.937 nan 8.190 nan 0.000 0.488 139 S N -2.127 113.418 115.700 -0.258 0.000 2.547 139 S HA 0.579 5.056 4.470 0.012 0.000 0.270 139 S C -1.964 172.325 174.600 -0.518 0.000 1.150 139 S CA -0.833 57.061 58.200 -0.510 0.000 0.850 139 S CB 1.236 63.744 63.200 -1.154 0.000 1.118 139 S HN 0.211 nan 8.310 nan 0.000 0.461 140 W N 1.306 122.326 121.300 -0.467 0.000 2.512 140 W HA 0.637 5.304 4.660 0.012 0.000 0.335 140 W C 0.347 176.476 176.519 -0.650 0.000 1.088 140 W CA -0.155 57.014 57.345 -0.292 0.000 1.236 140 W CB 1.117 30.546 29.460 -0.052 0.000 1.307 140 W HN 0.630 nan 8.180 nan 0.000 0.567 141 H N 0.738 119.872 119.070 0.106 0.000 2.771 141 H HA 0.355 4.918 4.556 0.012 0.000 0.361 141 H C -0.256 175.090 175.328 0.030 0.000 1.108 141 H CA -0.729 55.284 56.048 -0.059 0.000 1.201 141 H CB 1.908 31.612 29.762 -0.096 0.000 1.681 141 H HN 0.330 nan 8.280 nan 0.000 0.534 142 T N -1.628 112.931 114.554 0.008 0.000 2.945 142 T HA 0.073 4.430 4.350 0.012 0.000 0.286 142 T C 0.989 175.656 174.700 -0.056 0.000 1.025 142 T CA -0.776 61.321 62.100 -0.005 0.000 1.039 142 T CB 1.492 70.332 68.868 -0.046 0.000 1.068 142 T HN 0.596 nan 8.240 nan 0.000 0.497 143 D N 0.426 120.766 120.400 -0.100 0.000 2.263 143 D HA -0.140 4.507 4.640 0.012 0.000 0.208 143 D C 1.249 177.492 176.300 -0.094 0.000 0.971 143 D CA 0.916 54.857 54.000 -0.099 0.000 0.867 143 D CB -0.368 40.353 40.800 -0.131 0.000 0.929 143 D HN 0.805 nan 8.370 nan 0.000 0.492 144 E N 0.311 120.455 120.200 -0.093 0.000 2.511 144 E HA -0.046 4.311 4.350 0.012 0.000 0.196 144 E C -0.343 176.221 176.600 -0.059 0.000 1.066 144 E CA 0.178 56.540 56.400 -0.063 0.000 0.871 144 E CB -0.223 29.459 29.700 -0.030 0.000 0.863 144 E HN 0.368 nan 8.360 nan 0.000 0.520 145 E N 0.752 120.910 120.200 -0.070 0.000 2.257 145 E HA -0.192 4.166 4.350 0.012 0.000 0.217 145 E C -0.941 175.597 176.600 -0.104 0.000 1.248 145 E CA 0.538 56.901 56.400 -0.063 0.000 0.691 145 E CB -1.430 28.248 29.700 -0.036 0.000 1.185 145 E HN 0.401 nan 8.360 nan 0.000 0.377 146 E N 0.722 120.796 120.200 -0.209 0.000 2.199 146 E HA 0.447 4.804 4.350 0.012 0.000 0.269 146 E C -0.322 175.899 176.600 -0.632 0.000 0.899 146 E CA -0.572 55.593 56.400 -0.391 0.000 0.772 146 E CB 1.460 30.870 29.700 -0.485 0.000 1.155 146 E HN 0.149 nan 8.360 nan 0.000 0.408 147 N N 2.430 120.771 118.700 -0.598 0.000 2.479 147 N HA 0.209 4.956 4.740 0.012 0.000 0.261 147 N C -1.480 173.647 175.510 -0.638 0.000 0.979 147 N CA -0.493 52.187 53.050 -0.616 0.000 0.930 147 N CB 0.911 39.269 38.487 -0.214 0.000 1.172 147 N HN 0.332 nan 8.380 nan 0.000 0.499 148 Y N 2.374 122.402 120.300 -0.454 0.000 2.404 148 Y HA 0.365 4.922 4.550 0.012 0.000 0.344 148 Y C 0.043 175.877 175.900 -0.109 0.000 0.970 148 Y CA -0.646 57.186 58.100 -0.447 0.000 1.180 148 Y CB 0.050 38.275 38.460 -0.392 0.000 1.138 148 Y HN 0.379 nan 8.280 nan 0.000 0.510 149 F N 4.257 124.412 119.950 0.341 0.000 2.410 149 F HA 0.587 5.121 4.527 0.012 0.000 0.324 149 F C -1.854 174.139 175.800 0.321 0.000 1.093 149 F CA -2.243 55.925 58.000 0.280 0.000 1.028 149 F CB 0.604 39.735 39.000 0.219 0.000 1.309 149 F HN 0.296 nan 8.300 nan 0.000 0.499 150 P HA 0.490 nan 4.420 nan 0.000 0.277 150 P C -0.215 177.199 177.300 0.190 0.000 1.240 150 P CA -0.029 63.229 63.100 0.263 0.000 0.798 150 P CB 1.127 32.944 31.700 0.195 0.000 0.979 151 G N -0.407 108.452 108.800 0.098 0.000 2.247 151 G HA2 0.325 4.293 3.960 0.012 0.000 0.229 151 G HA3 0.325 4.293 3.960 0.012 0.000 0.229 151 G C -0.793 174.085 174.900 -0.036 0.000 1.345 151 G CA -0.186 44.923 45.100 0.016 0.000 1.100 151 G HN 0.583 nan 8.290 nan 0.000 0.473 152 A N -0.235 122.525 122.820 -0.100 0.000 2.346 152 A HA 0.610 4.937 4.320 0.012 0.000 0.255 152 A C 0.585 178.066 177.584 -0.172 0.000 1.113 152 A CA 1.033 52.995 52.037 -0.125 0.000 0.798 152 A CB 0.111 19.032 19.000 -0.131 0.000 1.073 152 A HN 0.995 nan 8.150 nan 0.000 0.502 153 E N -0.697 119.431 120.200 -0.121 0.000 2.313 153 E HA 0.329 4.686 4.350 0.012 0.000 0.276 153 E C -1.406 175.138 176.600 -0.093 0.000 1.031 153 E CA -0.101 56.263 56.400 -0.061 0.000 0.857 153 E CB 0.301 29.988 29.700 -0.022 0.000 1.040 153 E HN 0.484 nan 8.360 nan 0.000 0.408 154 Y N 2.793 123.126 120.300 0.055 0.000 2.319 154 Y HA 0.043 4.600 4.550 0.012 0.000 0.328 154 Y C 0.601 176.563 175.900 0.104 0.000 1.133 154 Y CA -0.159 57.998 58.100 0.095 0.000 1.265 154 Y CB 0.895 39.428 38.460 0.122 0.000 1.218 154 Y HN 0.649 nan 8.280 nan 0.000 0.508 155 D N 1.704 122.253 120.400 0.247 0.000 2.845 155 D HA -0.224 4.423 4.640 0.012 0.000 0.229 155 D C 1.262 177.626 176.300 0.105 0.000 1.170 155 D CA 1.466 55.576 54.000 0.184 0.000 0.717 155 D CB -1.294 39.661 40.800 0.259 0.000 1.073 155 D HN 1.121 nan 8.370 nan 0.000 0.424 156 G N 0.334 109.175 108.800 0.068 0.000 2.321 156 G HA2 -0.407 3.561 3.960 0.012 0.000 0.287 156 G HA3 -0.407 3.561 3.960 0.012 0.000 0.287 156 G C 0.769 175.658 174.900 -0.019 0.000 1.018 156 G CA 1.706 46.817 45.100 0.018 0.000 0.855 156 G HN 0.661 nan 8.290 nan 0.000 0.507 157 K N -1.917 118.460 120.400 -0.038 0.000 2.890 157 K HA 0.272 4.599 4.320 0.012 0.000 0.202 157 K C 0.047 176.451 176.600 -0.326 0.000 1.592 157 K CA -0.424 55.727 56.287 -0.226 0.000 1.197 157 K CB 0.472 32.743 32.500 -0.381 0.000 1.913 157 K HN 0.195 nan 8.250 nan 0.000 0.550 158 Y N 1.963 122.168 120.300 -0.159 0.000 2.316 158 Y HA 0.453 5.010 4.550 0.012 0.000 0.331 158 Y C -0.489 175.338 175.900 -0.120 0.000 1.083 158 Y CA -0.808 57.097 58.100 -0.324 0.000 1.206 158 Y CB 1.382 39.333 38.460 -0.848 0.000 1.195 158 Y HN 0.085 nan 8.280 nan 0.000 0.497 159 L N 3.633 124.874 121.223 0.030 0.000 2.505 159 L HA 0.574 4.922 4.340 0.012 0.000 0.266 159 L C -1.620 175.286 176.870 0.060 0.000 0.954 159 L CA -0.846 54.046 54.840 0.088 0.000 0.852 159 L CB 1.792 43.875 42.059 0.041 0.000 1.282 159 L HN 0.365 nan 8.230 nan 0.000 0.403 160 V N 6.222 126.218 119.914 0.138 0.000 2.405 160 V HA 0.274 4.401 4.120 0.012 0.000 0.264 160 V C 0.678 176.842 176.094 0.116 0.000 1.048 160 V CA -0.293 62.104 62.300 0.161 0.000 0.966 160 V CB 0.653 32.656 31.823 0.300 0.000 1.015 160 V HN 0.667 nan 8.190 nan 0.000 0.477 161 L N 7.722 128.998 121.223 0.087 0.000 2.467 161 L HA 0.165 4.513 4.340 0.012 0.000 0.270 161 L C -0.959 175.954 176.870 0.070 0.000 1.205 161 L CA -1.237 53.627 54.840 0.040 0.000 0.828 161 L CB 0.379 42.454 42.059 0.027 0.000 1.101 161 L HN 0.410 nan 8.230 nan 0.000 0.479 162 P HA -0.179 nan 4.420 nan 0.000 0.216 162 P C 1.156 178.505 177.300 0.081 0.000 1.153 162 P CA 1.327 64.447 63.100 0.034 0.000 0.858 162 P CB 0.080 31.759 31.700 -0.035 0.000 0.789 163 S N -2.397 113.363 115.700 0.100 0.000 2.660 163 S HA 0.284 4.761 4.470 0.012 0.000 0.223 163 S C 1.637 176.306 174.600 0.115 0.000 0.963 163 S CA 0.541 58.811 58.200 0.118 0.000 0.932 163 S CB -0.964 62.313 63.200 0.129 0.000 0.775 163 S HN 0.355 nan 8.310 nan 0.000 0.531 164 G N 0.484 109.372 108.800 0.148 0.000 2.232 164 G HA2 -0.225 3.743 3.960 0.012 0.000 0.226 164 G HA3 -0.225 3.743 3.960 0.012 0.000 0.226 164 G C -0.180 174.960 174.900 0.400 0.000 0.996 164 G CA -0.207 45.014 45.100 0.202 0.000 0.626 164 G HN 0.549 nan 8.290 nan 0.000 0.509 165 E N -0.022 120.362 120.200 0.308 0.000 2.408 165 E HA 0.550 4.908 4.350 0.012 0.000 0.259 165 E C 0.114 176.793 176.600 0.131 0.000 1.110 165 E CA -0.423 56.154 56.400 0.296 0.000 0.929 165 E CB 1.101 30.879 29.700 0.130 0.000 0.971 165 E HN 0.436 nan 8.360 nan 0.000 0.438 166 L N 2.528 123.514 121.223 -0.394 0.000 2.262 166 L HA 0.192 4.539 4.340 0.012 0.000 0.288 166 L C -1.058 175.553 176.870 -0.431 0.000 1.035 166 L CA -0.255 54.127 54.840 -0.763 0.000 0.820 166 L CB 0.688 41.677 42.059 -1.784 0.000 1.204 166 L HN 0.523 nan 8.230 nan 0.000 0.424 167 H N 6.845 125.724 119.070 -0.319 0.000 2.690 167 H HA 0.334 4.897 4.556 0.012 0.000 0.289 167 H C -0.893 174.263 175.328 -0.287 0.000 1.089 167 H CA -0.446 55.453 56.048 -0.248 0.000 1.299 167 H CB 0.675 30.340 29.762 -0.163 0.000 1.405 167 H HN 0.650 nan 8.280 nan 0.000 0.463 168 I N 6.094 126.300 120.570 -0.607 0.000 2.297 168 I HA 0.190 4.367 4.170 0.012 0.000 0.291 168 I C 0.837 176.601 176.117 -0.587 0.000 1.033 168 I CA -0.363 60.592 61.300 -0.575 0.000 1.253 168 I CB 0.875 38.575 38.000 -0.499 0.000 1.396 168 I HN 0.334 nan 8.210 nan 0.000 0.476 169 R N 6.523 126.763 120.500 -0.434 0.000 2.340 169 R HA 0.088 4.436 4.340 0.012 0.000 0.300 169 R C 0.028 176.195 176.300 -0.222 0.000 1.069 169 R CA -0.104 55.842 56.100 -0.257 0.000 0.984 169 R CB 0.469 30.707 30.300 -0.103 0.000 1.003 169 R HN 0.721 nan 8.270 nan 0.000 0.459 170 E N 2.312 122.427 120.200 -0.143 0.000 2.560 170 E HA -0.174 4.183 4.350 0.012 0.000 0.158 170 E C -1.217 175.320 176.600 -0.106 0.000 1.709 170 E CA 0.036 56.385 56.400 -0.087 0.000 0.653 170 E CB -0.243 29.423 29.700 -0.056 0.000 1.090 170 E HN 0.343 nan 8.360 nan 0.000 0.355 171 V N 2.266 122.121 119.914 -0.097 0.000 2.572 171 V HA 0.516 4.644 4.120 0.012 0.000 0.291 171 V C 1.282 177.354 176.094 -0.036 0.000 1.039 171 V CA 0.864 63.115 62.300 -0.082 0.000 1.055 171 V CB 1.393 33.178 31.823 -0.064 0.000 0.969 171 V HN 0.535 nan 8.190 nan 0.000 0.482 172 G N 4.316 113.098 108.800 -0.030 0.000 2.605 172 G HA2 0.585 4.552 3.960 0.012 0.000 0.296 172 G HA3 0.585 4.552 3.960 0.012 0.000 0.296 172 G C -2.275 172.621 174.900 -0.006 0.000 1.304 172 G CA -1.370 43.722 45.100 -0.014 0.000 0.941 172 G HN 0.479 nan 8.290 nan 0.000 0.475 173 P HA -0.234 nan 4.420 nan 0.000 0.220 173 P C 1.723 178.998 177.300 -0.042 0.000 1.155 173 P CA 1.735 64.821 63.100 -0.022 0.000 0.880 173 P CB 0.204 31.882 31.700 -0.037 0.000 0.790 174 E N -1.104 119.061 120.200 -0.057 0.000 2.501 174 E HA -0.208 4.149 4.350 0.012 0.000 0.203 174 E C 0.625 177.232 176.600 0.013 0.000 1.072 174 E CA 1.173 57.521 56.400 -0.087 0.000 0.885 174 E CB -0.739 28.930 29.700 -0.052 0.000 0.813 174 E HN 0.315 nan 8.360 nan 0.000 0.556 175 D N -0.148 120.298 120.400 0.076 0.000 2.514 175 D HA 0.096 4.744 4.640 0.012 0.000 0.225 175 D C 1.220 177.640 176.300 0.200 0.000 1.159 175 D CA 0.419 54.535 54.000 0.193 0.000 0.823 175 D CB 0.549 41.462 40.800 0.189 0.000 1.097 175 D HN 0.318 nan 8.370 nan 0.000 0.519 176 G N 0.017 108.898 108.800 0.135 0.000 3.234 176 G HA2 -0.151 3.816 3.960 0.012 0.000 0.221 176 G HA3 -0.151 3.816 3.960 0.012 0.000 0.221 176 G C 0.793 175.783 174.900 0.149 0.000 1.229 176 G CA 0.243 45.410 45.100 0.113 0.000 0.909 176 G HN 0.152 nan 8.290 nan 0.000 0.510 177 Y N 0.278 120.561 120.300 -0.028 0.000 2.472 177 Y HA 0.365 4.922 4.550 0.012 0.000 0.288 177 Y C 1.284 177.107 175.900 -0.128 0.000 1.154 177 Y CA -0.086 57.982 58.100 -0.052 0.000 1.238 177 Y CB 0.403 38.852 38.460 -0.018 0.000 1.287 177 Y HN -0.057 nan 8.280 nan 0.000 0.524 178 K N 1.358 121.719 120.400 -0.065 0.000 2.368 178 K HA 0.253 4.580 4.320 0.012 0.000 0.282 178 K C -0.355 175.835 176.600 -0.684 0.000 1.035 178 K CA -0.028 56.038 56.287 -0.369 0.000 0.973 178 K CB 0.744 33.026 32.500 -0.363 0.000 0.957 178 K HN 0.002 nan 8.250 nan 0.000 0.474 179 S N 2.916 118.319 115.700 -0.495 0.000 2.422 179 S HA 0.253 4.730 4.470 0.012 0.000 0.298 179 S C -0.858 173.534 174.600 -0.346 0.000 1.118 179 S CA -0.729 57.244 58.200 -0.378 0.000 1.083 179 S CB 0.091 63.183 63.200 -0.180 0.000 0.971 179 S HN 0.276 nan 8.310 nan 0.000 0.478 180 Y N 2.279 122.640 120.300 0.102 0.000 2.334 180 Y HA 0.518 5.075 4.550 0.012 0.000 0.328 180 Y C 0.632 176.700 175.900 0.280 0.000 1.130 180 Y CA -0.961 57.255 58.100 0.193 0.000 1.163 180 Y CB 0.940 39.493 38.460 0.154 0.000 1.207 180 Y HN 0.587 nan 8.280 nan 0.000 0.471 181 Q N 1.334 121.429 119.800 0.492 0.000 2.340 181 Q HA 0.677 5.024 4.340 0.012 0.000 0.276 181 Q C -1.277 174.803 176.000 0.133 0.000 1.048 181 Q CA -1.089 54.895 55.803 0.302 0.000 0.832 181 Q CB 1.580 30.389 28.738 0.118 0.000 1.373 181 Q HN 0.791 nan 8.270 nan 0.000 0.409 182 c N 0.436 118.860 118.600 -0.293 0.000 2.398 182 c HA 0.819 5.396 4.570 0.012 0.000 0.364 182 c C -0.046 173.828 174.090 -0.360 0.000 1.219 182 c CA -0.733 55.118 56.329 -0.796 0.000 2.312 182 c CB 0.991 42.710 42.510 -1.317 0.000 2.428 182 c HN 1.031 nan 8.230 nan 0.000 0.564 183 R N 1.781 122.090 120.500 -0.319 0.000 2.360 183 R HA 0.562 4.910 4.340 0.012 0.000 0.318 183 R C -0.237 175.977 176.300 -0.143 0.000 0.950 183 R CA 0.112 56.119 56.100 -0.155 0.000 0.837 183 R CB 1.359 31.648 30.300 -0.019 0.000 1.165 183 R HN 1.047 nan 8.270 nan 0.000 0.458 184 T N 0.842 115.355 114.554 -0.069 0.000 2.929 184 T HA 0.392 4.750 4.350 0.012 0.000 0.284 184 T C -0.377 174.378 174.700 0.093 0.000 1.014 184 T CA -0.894 61.214 62.100 0.014 0.000 1.051 184 T CB 2.015 70.956 68.868 0.121 0.000 1.028 184 T HN 0.464 nan 8.240 nan 0.000 0.485 185 K N 0.792 121.242 120.400 0.083 0.000 2.345 185 K HA 0.214 4.541 4.320 0.012 0.000 0.255 185 K C -1.038 175.617 176.600 0.091 0.000 0.934 185 K CA -0.773 55.581 56.287 0.112 0.000 0.801 185 K CB 1.035 33.584 32.500 0.082 0.000 1.137 185 K HN 0.813 nan 8.250 nan 0.000 0.424 186 H N 5.116 124.209 119.070 0.038 0.000 2.723 186 H HA 0.083 4.646 4.556 0.012 0.000 0.294 186 H C 0.675 176.005 175.328 0.003 0.000 1.079 186 H CA 0.178 56.200 56.048 -0.042 0.000 1.411 186 H CB 0.876 30.600 29.762 -0.064 0.000 1.439 186 H HN 0.692 nan 8.280 nan 0.000 0.474 187 R N 4.165 124.685 120.500 0.034 0.000 2.339 187 R HA 0.032 4.379 4.340 0.012 0.000 0.199 187 R C 0.390 176.795 176.300 0.175 0.000 1.018 187 R CA 0.690 56.850 56.100 0.100 0.000 1.036 187 R CB 0.125 30.456 30.300 0.052 0.000 0.899 187 R HN 0.444 nan 8.270 nan 0.000 0.473 188 L N 0.110 121.548 121.223 0.360 0.000 2.433 188 L HA 0.115 4.462 4.340 0.012 0.000 0.200 188 L C 2.389 179.309 176.870 0.083 0.000 1.059 188 L CA 0.856 55.813 54.840 0.194 0.000 0.835 188 L CB -0.390 41.725 42.059 0.094 0.000 1.076 188 L HN 0.242 nan 8.230 nan 0.000 0.481 189 T N -2.578 111.966 114.554 -0.017 0.000 2.985 189 T HA 0.087 4.445 4.350 0.012 0.000 0.266 189 T C 1.543 176.231 174.700 -0.020 0.000 1.076 189 T CA 0.845 62.848 62.100 -0.161 0.000 1.135 189 T CB 0.034 68.666 68.868 -0.392 0.000 0.890 189 T HN 0.483 nan 8.240 nan 0.000 0.480 190 G N 1.154 109.996 108.800 0.070 0.000 2.137 190 G HA2 -0.200 3.767 3.960 0.012 0.000 0.237 190 G HA3 -0.200 3.767 3.960 0.012 0.000 0.237 190 G C -0.323 174.620 174.900 0.072 0.000 1.002 190 G CA 0.084 45.229 45.100 0.074 0.000 0.702 190 G HN 0.678 nan 8.290 nan 0.000 0.515 191 E N 0.892 121.147 120.200 0.091 0.000 2.191 191 E HA 0.509 4.867 4.350 0.012 0.000 0.278 191 E C 0.280 176.963 176.600 0.138 0.000 0.972 191 E CA -0.002 56.456 56.400 0.096 0.000 0.804 191 E CB 1.124 30.878 29.700 0.091 0.000 1.110 191 E HN 0.359 nan 8.360 nan 0.000 0.394 192 T N 1.236 115.847 114.554 0.094 0.000 2.758 192 T HA 0.553 4.910 4.350 0.012 0.000 0.285 192 T C -0.069 174.656 174.700 0.042 0.000 0.981 192 T CA -0.957 61.194 62.100 0.084 0.000 0.965 192 T CB 0.928 69.833 68.868 0.061 0.000 0.927 192 T HN 0.309 nan 8.240 nan 0.000 0.448 193 R N 2.429 122.947 120.500 0.031 0.000 2.686 193 R HA 0.565 4.912 4.340 0.012 0.000 0.286 193 R C -0.282 175.957 176.300 -0.102 0.000 0.969 193 R CA -0.997 55.072 56.100 -0.052 0.000 0.898 193 R CB 2.099 32.337 30.300 -0.102 0.000 1.183 193 R HN 0.555 nan 8.270 nan 0.000 0.456 194 L N 1.457 122.604 121.223 -0.126 0.000 2.453 194 L HA 0.228 4.575 4.340 0.012 0.000 0.261 194 L C 0.571 177.357 176.870 -0.141 0.000 1.179 194 L CA -0.379 54.374 54.840 -0.144 0.000 0.813 194 L CB 0.971 42.938 42.059 -0.153 0.000 1.110 194 L HN 0.732 nan 8.230 nan 0.000 0.466 195 S N 0.440 116.062 115.700 -0.130 0.000 2.562 195 S HA 0.168 4.646 4.470 0.012 0.000 0.281 195 S C 0.867 175.422 174.600 -0.075 0.000 1.333 195 S CA -0.242 57.893 58.200 -0.109 0.000 1.052 195 S CB 1.358 64.509 63.200 -0.081 0.000 0.884 195 S HN 0.709 nan 8.310 nan 0.000 0.506 196 A N 2.141 124.920 122.820 -0.068 0.000 2.119 196 A HA 0.186 4.514 4.320 0.012 0.000 0.217 196 A C 1.289 178.862 177.584 -0.018 0.000 1.153 196 A CA 0.927 52.942 52.037 -0.036 0.000 0.692 196 A CB -0.641 18.347 19.000 -0.020 0.000 0.799 196 A HN 1.033 nan 8.150 nan 0.000 0.458 197 T N -1.574 112.974 114.554 -0.010 0.000 2.841 197 T HA 0.556 4.913 4.350 0.012 0.000 0.285 197 T C -0.845 173.874 174.700 0.031 0.000 0.991 197 T CA -0.835 61.271 62.100 0.010 0.000 0.966 197 T CB 1.486 70.365 68.868 0.019 0.000 0.962 197 T HN 0.207 nan 8.240 nan 0.000 0.438 198 K N 2.325 122.743 120.400 0.031 0.000 2.234 198 K HA 0.557 4.884 4.320 0.012 0.000 0.282 198 K C 0.775 177.418 176.600 0.072 0.000 1.039 198 K CA -0.756 55.565 56.287 0.056 0.000 0.928 198 K CB 1.312 33.823 32.500 0.019 0.000 1.039 198 K HN 0.813 nan 8.250 nan 0.000 0.470 199 G N 2.322 111.205 108.800 0.137 0.000 2.502 199 G HA2 0.536 4.503 3.960 0.012 0.000 0.305 199 G HA3 0.536 4.503 3.960 0.012 0.000 0.305 199 G C -0.582 174.386 174.900 0.112 0.000 1.190 199 G CA -0.696 44.487 45.100 0.137 0.000 0.933 199 G HN 0.716 nan 8.290 nan 0.000 0.503 200 R N -0.942 119.607 120.500 0.083 0.000 2.734 200 R HA 0.547 4.894 4.340 0.012 0.000 0.271 200 R C -1.460 174.878 176.300 0.063 0.000 1.021 200 R CA -1.068 55.062 56.100 0.050 0.000 0.893 200 R CB 1.367 31.646 30.300 -0.035 0.000 1.244 200 R HN 0.324 nan 8.270 nan 0.000 0.464 201 L N 2.057 123.337 121.223 0.095 0.000 2.259 201 L HA 0.330 4.677 4.340 0.012 0.000 0.288 201 L C -0.535 176.322 176.870 -0.022 0.000 1.051 201 L CA -1.055 53.818 54.840 0.055 0.000 0.824 201 L CB 1.778 43.919 42.059 0.137 0.000 1.206 201 L HN 0.406 nan 8.230 nan 0.000 0.429 202 V N 6.074 125.906 119.914 -0.137 0.000 2.381 202 V HA 0.141 4.268 4.120 0.012 0.000 0.257 202 V C 0.585 176.659 176.094 -0.033 0.000 1.057 202 V CA 0.068 62.283 62.300 -0.141 0.000 1.013 202 V CB 0.281 31.867 31.823 -0.394 0.000 1.069 202 V HN 0.478 nan 8.190 nan 0.000 0.484 203 I N 4.946 125.518 120.570 0.005 0.000 2.325 203 I HA 0.289 4.466 4.170 0.012 0.000 0.291 203 I C 0.492 176.622 176.117 0.023 0.000 1.019 203 I CA 0.132 61.443 61.300 0.019 0.000 1.302 203 I CB 1.114 39.124 38.000 0.016 0.000 1.401 203 I HN 0.467 nan 8.210 nan 0.000 0.485 204 T N 5.306 119.876 114.554 0.026 0.000 2.824 204 T HA 0.271 4.628 4.350 0.012 0.000 0.280 204 T C -0.106 174.573 174.700 -0.034 0.000 0.995 204 T CA -0.773 61.333 62.100 0.010 0.000 1.009 204 T CB 1.254 70.139 68.868 0.029 0.000 0.955 204 T HN 0.464 nan 8.240 nan 0.000 0.452 205 E N 3.283 123.452 120.200 -0.053 0.000 2.398 205 E HA 0.202 4.560 4.350 0.012 0.000 0.263 205 E C -2.139 174.354 176.600 -0.178 0.000 1.046 205 E CA -1.429 54.911 56.400 -0.100 0.000 0.908 205 E CB 0.321 29.974 29.700 -0.078 0.000 0.963 205 E HN 0.341 nan 8.360 nan 0.000 0.431 206 P HA 0.215 nan 4.420 nan 0.000 0.297 206 P C -0.320 176.716 177.300 -0.439 0.000 1.319 206 P CA -0.189 62.562 63.100 -0.582 0.000 0.810 206 P CB 1.128 31.941 31.700 -1.478 0.000 0.947 207 I N -0.228 120.185 120.570 -0.261 0.000 3.669 207 I HA 0.091 4.268 4.170 0.012 0.000 0.255 207 I C 0.826 176.913 176.117 -0.051 0.000 1.144 207 I CA 0.392 61.617 61.300 -0.126 0.000 1.447 207 I CB -1.113 36.843 38.000 -0.073 0.000 1.622 207 I HN 0.166 nan 8.210 nan 0.000 0.435 208 S N 2.122 117.801 115.700 -0.034 0.000 2.565 208 S HA 0.216 4.694 4.470 0.012 0.000 0.276 208 S C 0.494 175.142 174.600 0.079 0.000 1.326 208 S CA -0.150 58.062 58.200 0.019 0.000 1.045 208 S CB 0.794 63.999 63.200 0.009 0.000 0.918 208 S HN 0.172 nan 8.310 nan 0.000 0.505 209 S N 2.979 118.747 115.700 0.114 0.000 2.423 209 S HA 0.334 4.811 4.470 0.012 0.000 0.302 209 S C 0.319 174.980 174.600 0.102 0.000 1.143 209 S CA -0.640 57.657 58.200 0.161 0.000 1.080 209 S CB -0.116 63.142 63.200 0.097 0.000 1.081 209 S HN 0.782 nan 8.310 nan 0.000 0.522 210 A N 4.142 127.039 122.820 0.129 0.000 2.289 210 A HA 0.545 4.872 4.320 0.012 0.000 0.298 210 A C 0.278 177.891 177.584 0.050 0.000 1.208 210 A CA -0.643 51.439 52.037 0.075 0.000 0.845 210 A CB 0.315 19.361 19.000 0.077 0.000 1.125 210 A HN 0.578 nan 8.150 nan 0.000 0.517 211 V N 4.335 124.261 119.914 0.022 0.000 2.763 211 V HA 0.104 4.231 4.120 0.012 0.000 0.306 211 V C -1.960 174.133 176.094 -0.002 0.000 1.059 211 V CA -0.785 61.514 62.300 -0.001 0.000 1.138 211 V CB 0.420 32.239 31.823 -0.007 0.000 0.940 211 V HN 0.774 nan 8.190 nan 0.000 0.489 212 P HA 0.188 nan 4.420 nan 0.000 0.263 212 P C -0.607 176.689 177.300 -0.007 0.000 1.195 212 P CA 0.201 63.284 63.100 -0.027 0.000 0.762 212 P CB 0.352 31.999 31.700 -0.088 0.000 0.799 213 K N 2.455 122.867 120.400 0.019 0.000 2.371 213 K HA 0.561 4.888 4.320 0.012 0.000 0.251 213 K C -0.702 175.927 176.600 0.048 0.000 0.934 213 K CA -1.014 55.289 56.287 0.027 0.000 0.798 213 K CB 1.609 34.125 32.500 0.025 0.000 1.204 213 K HN 0.256 nan 8.250 nan 0.000 0.427 214 V N -0.003 119.940 119.914 0.048 0.000 3.096 214 V HA 0.491 4.618 4.120 0.012 0.000 0.319 214 V C -0.104 176.023 176.094 0.056 0.000 1.103 214 V CA -0.829 61.509 62.300 0.064 0.000 1.016 214 V CB 1.751 33.615 31.823 0.069 0.000 1.090 214 V HN 0.467 nan 8.190 nan 0.000 0.449 215 V N 3.033 122.985 119.914 0.063 0.000 2.248 215 V HA 0.172 4.299 4.120 0.012 0.000 0.309 215 V C 1.485 177.611 176.094 0.054 0.000 1.722 215 V CA 1.003 63.336 62.300 0.055 0.000 1.693 215 V CB -1.877 29.980 31.823 0.058 0.000 1.470 215 V HN 1.150 nan 8.190 nan 0.000 0.518 216 S N 1.475 117.205 115.700 0.049 0.000 4.157 216 S HA -0.444 4.034 4.470 0.012 0.000 0.538 216 S C 1.578 176.216 174.600 0.065 0.000 1.476 216 S CA 2.503 60.732 58.200 0.049 0.000 3.851 216 S CB -1.188 62.036 63.200 0.039 0.000 1.659 216 S HN 0.652 nan 8.310 nan 0.000 0.454 217 L N 1.962 123.223 121.223 0.062 0.000 2.043 217 L HA -0.131 4.216 4.340 0.012 0.000 0.212 217 L C 2.272 179.197 176.870 0.091 0.000 1.075 217 L CA 2.129 57.012 54.840 0.072 0.000 0.752 217 L CB -0.560 41.531 42.059 0.053 0.000 0.891 217 L HN 0.608 nan 8.230 nan 0.000 0.432 218 A N -0.914 121.956 122.820 0.084 0.000 2.259 218 A HA -0.216 4.112 4.320 0.012 0.000 0.212 218 A C 2.204 179.866 177.584 0.129 0.000 1.178 218 A CA 1.380 53.475 52.037 0.098 0.000 0.734 218 A CB -0.610 18.441 19.000 0.086 0.000 0.774 218 A HN 0.519 nan 8.150 nan 0.000 0.481 219 K N -1.886 118.596 120.400 0.136 0.000 2.288 219 K HA 0.003 4.330 4.320 0.012 0.000 0.201 219 K C -0.612 176.151 176.600 0.272 0.000 1.048 219 K CA 0.579 56.958 56.287 0.153 0.000 0.956 219 K CB -0.013 32.549 32.500 0.105 0.000 0.746 219 K HN 0.328 nan 8.250 nan 0.000 0.461 220 F N 0.518 120.506 119.950 0.064 0.000 2.574 220 F HA 0.349 4.883 4.527 0.012 0.000 0.313 220 F C -1.580 174.261 175.800 0.068 0.000 1.130 220 F CA -1.978 56.066 58.000 0.073 0.000 0.936 220 F CB 1.755 40.791 39.000 0.060 0.000 1.219 220 F HN -0.015 nan 8.300 nan 0.000 0.445 221 D N 6.070 126.374 120.400 -0.160 0.000 2.717 221 D HA 0.371 5.018 4.640 0.012 0.000 0.223 221 D C -1.756 174.378 176.300 -0.275 0.000 1.240 221 D CA -0.403 53.466 54.000 -0.217 0.000 0.801 221 D CB 2.298 43.089 40.800 -0.015 0.000 1.556 221 D HN 0.580 nan 8.370 nan 0.000 0.462 222 M N 2.289 121.743 119.600 -0.243 0.000 2.243 222 M HA 0.417 4.904 4.480 0.012 0.000 0.324 222 M C -0.316 175.917 176.300 -0.112 0.000 1.031 222 M CA -0.629 54.577 55.300 -0.157 0.000 0.949 222 M CB 2.496 34.991 32.600 -0.175 0.000 1.615 222 M HN 0.060 nan 8.290 nan 0.000 0.430 223 K N 1.315 121.668 120.400 -0.079 0.000 2.318 223 K HA 0.639 4.966 4.320 0.012 0.000 0.249 223 K C -0.958 175.553 176.600 -0.148 0.000 0.942 223 K CA -0.672 55.510 56.287 -0.175 0.000 0.808 223 K CB 2.462 34.810 32.500 -0.254 0.000 1.189 223 K HN 0.558 nan 8.250 nan 0.000 0.428 224 T N 2.195 116.611 114.554 -0.229 0.000 2.991 224 T HA 0.292 4.649 4.350 0.012 0.000 0.347 224 T C -0.979 173.627 174.700 -0.156 0.000 1.122 224 T CA -0.589 61.438 62.100 -0.122 0.000 1.062 224 T CB -0.133 68.684 68.868 -0.084 0.000 1.043 224 T HN 0.310 nan 8.240 nan 0.000 0.491 225 Y N 2.011 122.305 120.300 -0.009 0.000 2.320 225 Y HA 0.430 4.987 4.550 0.012 0.000 0.324 225 Y C 1.430 177.322 175.900 -0.013 0.000 1.190 225 Y CA -0.803 57.287 58.100 -0.017 0.000 1.215 225 Y CB 1.079 39.526 38.460 -0.022 0.000 1.221 225 Y HN 0.624 nan 8.280 nan 0.000 0.486 226 S N 1.125 116.935 115.700 0.183 0.000 2.585 226 S HA 0.367 4.844 4.470 0.012 0.000 0.273 226 S C 0.458 175.104 174.600 0.076 0.000 1.339 226 S CA -0.648 57.608 58.200 0.094 0.000 1.028 226 S CB 0.789 64.028 63.200 0.066 0.000 0.906 226 S HN 0.925 nan 8.310 nan 0.000 0.528 227 G N 0.214 109.043 108.800 0.047 0.000 2.491 227 G HA2 0.344 4.311 3.960 0.012 0.000 0.238 227 G HA3 0.344 4.311 3.960 0.012 0.000 0.238 227 G C 0.337 175.244 174.900 0.011 0.000 1.277 227 G CA -0.037 45.081 45.100 0.030 0.000 0.851 227 G HN 1.734 nan 8.290 nan 0.000 0.573 228 S N -0.880 114.818 115.700 -0.004 0.000 3.559 228 S HA -0.187 4.290 4.470 0.012 0.000 0.369 228 S C 0.880 175.461 174.600 -0.031 0.000 0.987 228 S CA 0.986 59.175 58.200 -0.019 0.000 1.187 228 S CB -1.541 61.653 63.200 -0.011 0.000 0.914 228 S HN 1.942 nan 8.310 nan 0.000 0.480 229 S N -0.137 115.532 115.700 -0.051 0.000 2.801 229 S HA 0.817 5.294 4.470 0.012 0.000 0.312 229 S C -0.187 174.328 174.600 -0.141 0.000 1.112 229 S CA -0.486 57.671 58.200 -0.072 0.000 0.943 229 S CB 1.741 64.915 63.200 -0.043 0.000 1.269 229 S HN 0.320 nan 8.310 nan 0.000 0.558 230 T N 2.016 116.470 114.554 -0.168 0.000 2.770 230 T HA 0.484 4.841 4.350 0.012 0.000 0.297 230 T C -0.376 174.085 174.700 -0.397 0.000 0.997 230 T CA -0.263 61.702 62.100 -0.227 0.000 0.949 230 T CB 0.157 68.935 68.868 -0.150 0.000 0.941 230 T HN 0.489 nan 8.240 nan 0.000 0.457 231 M N 2.576 121.840 119.600 -0.559 0.000 2.277 231 M HA 0.646 5.133 4.480 0.012 0.000 0.350 231 M C 0.097 176.074 176.300 -0.537 0.000 1.180 231 M CA -0.772 53.940 55.300 -0.980 0.000 1.103 231 M CB 1.395 33.405 32.600 -0.982 0.000 1.577 231 M HN 0.572 nan 8.290 nan 0.000 0.459 232 A N 4.512 127.121 122.820 -0.353 0.000 2.483 232 A HA 0.663 4.990 4.320 0.012 0.000 0.308 232 A C -0.826 176.722 177.584 -0.060 0.000 1.291 232 A CA -0.677 51.266 52.037 -0.157 0.000 0.774 232 A CB 0.321 19.289 19.000 -0.054 0.000 1.134 232 A HN 0.869 nan 8.150 nan 0.000 0.471 233 L N 3.111 124.212 121.223 -0.204 0.000 2.265 233 L HA 0.472 4.819 4.340 0.012 0.000 0.288 233 L C -0.715 176.151 176.870 -0.008 0.000 1.058 233 L CA -0.539 54.211 54.840 -0.149 0.000 0.809 233 L CB 0.966 42.714 42.059 -0.519 0.000 1.179 233 L HN 0.521 nan 8.230 nan 0.000 0.429 234 L N 2.927 124.254 121.223 0.172 0.000 2.334 234 L HA 0.433 4.780 4.340 0.012 0.000 0.270 234 L C -0.068 176.996 176.870 0.323 0.000 1.018 234 L CA -0.101 54.861 54.840 0.203 0.000 0.811 234 L CB 1.847 43.980 42.059 0.122 0.000 1.271 234 L HN 0.608 nan 8.230 nan 0.000 0.443 235 c N 2.269 120.982 118.600 0.188 0.000 3.465 235 c HA 0.448 5.026 4.570 0.012 0.000 0.193 235 c C -2.428 171.723 174.090 0.102 0.000 1.515 235 c CA -1.594 54.804 56.329 0.114 0.000 1.340 235 c CB -0.545 41.961 42.510 -0.007 0.000 1.928 235 c HN 0.545 nan 8.230 nan 0.000 0.510 236 P HA 0.269 nan 4.420 nan 0.000 0.259 236 P C -0.440 176.957 177.300 0.161 0.000 1.211 236 P CA 1.035 64.203 63.100 0.113 0.000 0.810 236 P CB 0.167 31.925 31.700 0.097 0.000 0.815 237 A N 3.541 126.502 122.820 0.235 0.000 2.466 237 A HA 0.407 4.735 4.320 0.012 0.000 0.284 237 A C -0.565 177.162 177.584 0.238 0.000 1.049 237 A CA -0.589 51.595 52.037 0.245 0.000 0.760 237 A CB 1.124 20.309 19.000 0.309 0.000 1.274 237 A HN 0.405 nan 8.150 nan 0.000 0.412 238 Q N 0.258 120.140 119.800 0.137 0.000 2.195 238 Q HA 0.808 5.155 4.340 0.012 0.000 0.250 238 Q C 0.184 176.230 176.000 0.077 0.000 0.988 238 Q CA -0.297 55.575 55.803 0.115 0.000 0.911 238 Q CB 2.357 31.151 28.738 0.094 0.000 1.258 238 Q HN 1.394 nan 8.270 nan 0.000 0.475 239 G N -0.017 108.833 108.800 0.085 0.000 2.328 239 G HA2 0.262 4.229 3.960 0.012 0.000 0.299 239 G HA3 0.262 4.229 3.960 0.012 0.000 0.299 239 G C -2.600 172.386 174.900 0.143 0.000 1.435 239 G CA -0.653 44.493 45.100 0.078 0.000 0.865 239 G HN 0.423 nan 8.290 nan 0.000 0.601 240 Y N 0.626 120.918 120.300 -0.014 0.000 2.433 240 Y HA 0.631 5.188 4.550 0.012 0.000 0.337 240 Y C -2.505 173.382 175.900 -0.021 0.000 1.026 240 Y CA -1.718 56.374 58.100 -0.014 0.000 1.037 240 Y CB 2.853 41.310 38.460 -0.005 0.000 1.245 240 Y HN 0.530 nan 8.280 nan 0.000 0.443 241 P HA 0.023 nan 4.420 nan 0.000 0.270 241 P C -0.818 176.246 177.300 -0.394 0.000 1.227 241 P CA -0.129 62.408 63.100 -0.938 0.000 0.788 241 P CB 0.542 31.875 31.700 -0.611 0.000 0.926 242 V N 4.065 123.800 119.914 -0.299 0.000 2.506 242 V HA -0.013 4.114 4.120 0.012 0.000 0.296 242 V C -1.309 174.715 176.094 -0.116 0.000 1.004 242 V CA -0.286 61.959 62.300 -0.091 0.000 1.150 242 V CB -0.811 30.996 31.823 -0.027 0.000 0.911 242 V HN 0.641 nan 8.190 nan 0.000 0.476 243 P HA 0.390 nan 4.420 nan 0.000 0.277 243 P C -0.946 176.184 177.300 -0.283 0.000 1.271 243 P CA -0.324 62.628 63.100 -0.247 0.000 0.795 243 P CB 1.155 32.638 31.700 -0.362 0.000 1.101 244 V N 0.184 119.890 119.914 -0.348 0.000 2.604 244 V HA 0.397 4.524 4.120 0.012 0.000 0.305 244 V C -0.333 175.541 176.094 -0.367 0.000 1.043 244 V CA -0.435 61.728 62.300 -0.228 0.000 0.888 244 V CB 1.111 32.875 31.823 -0.098 0.000 0.995 244 V HN 0.321 nan 8.190 nan 0.000 0.429 245 F N 3.324 123.262 119.950 -0.019 0.000 2.411 245 F HA 0.684 5.219 4.527 0.012 0.000 0.352 245 F C 0.636 176.408 175.800 -0.047 0.000 1.123 245 F CA -0.517 57.448 58.000 -0.057 0.000 1.044 245 F CB 1.489 40.473 39.000 -0.027 0.000 1.135 245 F HN 0.299 nan 8.300 nan 0.000 0.461 246 R N 2.480 123.012 120.500 0.054 0.000 2.494 246 R HA 0.441 4.788 4.340 0.012 0.000 0.305 246 R C -1.747 174.524 176.300 -0.048 0.000 0.959 246 R CA -0.806 55.313 56.100 0.031 0.000 0.864 246 R CB 1.798 32.158 30.300 0.100 0.000 1.159 246 R HN 0.607 nan 8.270 nan 0.000 0.446 247 W N 2.111 123.358 121.300 -0.088 0.000 2.573 247 W HA 0.434 5.101 4.660 0.012 0.000 0.326 247 W C -0.602 175.761 176.519 -0.259 0.000 1.049 247 W CA -0.216 57.113 57.345 -0.026 0.000 1.220 247 W CB 1.189 30.645 29.460 -0.007 0.000 1.373 247 W HN 0.443 nan 8.180 nan 0.000 0.507 248 Y N 1.416 121.882 120.300 0.276 0.000 2.545 248 Y HA 0.417 4.974 4.550 0.012 0.000 0.348 248 Y C -0.188 175.760 175.900 0.080 0.000 1.002 248 Y CA -1.537 56.609 58.100 0.076 0.000 1.039 248 Y CB 2.193 40.562 38.460 -0.153 0.000 1.271 248 Y HN 0.155 nan 8.280 nan 0.000 0.467 249 K N 2.284 122.735 120.400 0.086 0.000 2.323 249 K HA 0.477 4.804 4.320 0.012 0.000 0.259 249 K C -1.507 174.994 176.600 -0.165 0.000 0.947 249 K CA -0.583 55.603 56.287 -0.167 0.000 0.819 249 K CB 0.815 33.157 32.500 -0.263 0.000 1.109 249 K HN 0.503 nan 8.250 nan 0.000 0.429 250 F N 3.273 123.192 119.950 -0.051 0.000 2.459 250 F HA 0.170 4.704 4.527 0.012 0.000 0.346 250 F C 0.732 176.511 175.800 -0.035 0.000 1.128 250 F CA -0.218 57.772 58.000 -0.017 0.000 1.268 250 F CB 0.357 39.352 39.000 -0.009 0.000 1.161 250 F HN 0.362 nan 8.300 nan 0.000 0.583 251 I N 1.837 122.534 120.570 0.212 0.000 2.471 251 I HA 0.022 4.199 4.170 0.012 0.000 0.286 251 I C 0.245 176.422 176.117 0.101 0.000 1.079 251 I CA -0.385 60.983 61.300 0.113 0.000 1.398 251 I CB 0.424 38.479 38.000 0.091 0.000 1.403 251 I HN 0.461 nan 8.210 nan 0.000 0.530 252 E N 5.548 125.789 120.200 0.068 0.000 3.587 252 E HA -0.074 4.283 4.350 0.012 0.000 0.235 252 E C 1.317 177.951 176.600 0.057 0.000 0.912 252 E CA 1.370 57.805 56.400 0.058 0.000 0.933 252 E CB -0.687 29.043 29.700 0.050 0.000 0.865 252 E HN 0.836 nan 8.360 nan 0.000 0.567 253 G N 2.609 111.437 108.800 0.047 0.000 2.304 253 G HA2 -0.365 3.603 3.960 0.012 0.000 0.252 253 G HA3 -0.365 3.603 3.960 0.012 0.000 0.252 253 G C 0.581 175.483 174.900 0.004 0.000 1.014 253 G CA 0.736 45.852 45.100 0.027 0.000 0.619 253 G HN 1.032 nan 8.290 nan 0.000 0.525 254 T N -1.719 112.850 114.554 0.026 0.000 2.824 254 T HA 0.532 4.889 4.350 0.012 0.000 0.277 254 T C 1.623 176.316 174.700 -0.012 0.000 0.975 254 T CA 1.131 63.245 62.100 0.023 0.000 0.966 254 T CB 1.275 70.176 68.868 0.056 0.000 1.054 254 T HN 0.991 nan 8.240 nan 0.000 0.533 255 T N -2.026 112.529 114.554 0.001 0.000 3.129 255 T HA 0.171 4.528 4.350 0.012 0.000 0.251 255 T C 0.627 175.429 174.700 0.170 0.000 1.117 255 T CA -0.516 61.584 62.100 -0.001 0.000 1.034 255 T CB -0.132 68.729 68.868 -0.012 0.000 0.968 255 T HN 0.431 nan 8.240 nan 0.000 0.526 256 R N 2.702 123.308 120.500 0.177 0.000 2.410 256 R HA 0.507 4.854 4.340 0.012 0.000 0.288 256 R C 0.071 176.526 176.300 0.259 0.000 1.051 256 R CA -0.318 55.886 56.100 0.174 0.000 1.021 256 R CB 0.694 31.055 30.300 0.102 0.000 1.032 256 R HN 0.638 nan 8.270 nan 0.000 0.481 257 K N 0.950 121.425 120.400 0.125 0.000 2.422 257 K HA 0.410 4.737 4.320 0.012 0.000 0.251 257 K C -0.720 175.909 176.600 0.050 0.000 0.933 257 K CA -0.835 55.441 56.287 -0.018 0.000 0.798 257 K CB 2.246 34.512 32.500 -0.390 0.000 1.238 257 K HN 0.359 nan 8.250 nan 0.000 0.428 258 Q N 0.918 120.758 119.800 0.065 0.000 2.266 258 Q HA 0.493 4.840 4.340 0.012 0.000 0.261 258 Q C -0.737 175.344 176.000 0.135 0.000 0.985 258 Q CA -1.089 54.773 55.803 0.099 0.000 0.873 258 Q CB 2.204 30.974 28.738 0.053 0.000 1.306 258 Q HN 0.793 nan 8.270 nan 0.000 0.447 259 A N 1.737 124.599 122.820 0.071 0.000 2.440 259 A HA 0.289 4.616 4.320 0.012 0.000 0.251 259 A C -0.076 177.447 177.584 -0.101 0.000 1.089 259 A CA -0.437 51.484 52.037 -0.193 0.000 0.779 259 A CB 0.313 19.175 19.000 -0.229 0.000 1.022 259 A HN 0.536 nan 8.150 nan 0.000 0.492 260 V N 3.107 122.959 119.914 -0.103 0.000 2.655 260 V HA 0.082 4.209 4.120 0.012 0.000 0.300 260 V C 0.404 176.483 176.094 -0.025 0.000 1.044 260 V CA -0.096 62.211 62.300 0.013 0.000 1.095 260 V CB 1.160 33.034 31.823 0.084 0.000 0.952 260 V HN 0.550 nan 8.190 nan 0.000 0.485 261 V N 7.115 127.024 119.914 -0.009 0.000 2.368 261 V HA 0.272 4.399 4.120 0.012 0.000 0.266 261 V C 0.206 176.280 176.094 -0.033 0.000 1.045 261 V CA -0.265 62.023 62.300 -0.021 0.000 0.899 261 V CB 0.801 32.618 31.823 -0.010 0.000 1.006 261 V HN 0.584 nan 8.190 nan 0.000 0.470 262 L N 6.704 127.903 121.223 -0.039 0.000 2.397 262 L HA 0.472 4.819 4.340 0.012 0.000 0.271 262 L C 0.561 177.406 176.870 -0.043 0.000 1.148 262 L CA 0.213 55.024 54.840 -0.048 0.000 0.825 262 L CB 0.738 42.772 42.059 -0.042 0.000 1.117 262 L HN 0.946 nan 8.230 nan 0.000 0.456 263 N N -0.046 118.623 118.700 -0.051 0.000 3.687 263 N HA 0.083 4.830 4.740 0.012 0.000 0.348 263 N C -0.099 175.381 175.510 -0.050 0.000 1.430 263 N CA -0.465 52.559 53.050 -0.043 0.000 0.697 263 N CB 0.257 38.721 38.487 -0.037 0.000 3.045 263 N HN 0.259 nan 8.380 nan 0.000 0.516 264 D N -0.345 120.027 120.400 -0.047 0.000 2.216 264 D HA 0.071 4.718 4.640 0.012 0.000 0.208 264 D C 1.668 177.931 176.300 -0.061 0.000 0.960 264 D CA 0.698 54.668 54.000 -0.050 0.000 0.861 264 D CB 0.577 41.352 40.800 -0.041 0.000 0.985 264 D HN 0.441 nan 8.370 nan 0.000 0.493 265 R N 0.442 120.905 120.500 -0.061 0.000 2.062 265 R HA 0.024 4.371 4.340 0.012 0.000 0.226 265 R C 0.207 176.448 176.300 -0.098 0.000 1.125 265 R CA 0.681 56.738 56.100 -0.072 0.000 0.966 265 R CB 0.292 30.556 30.300 -0.059 0.000 0.861 265 R HN -0.098 nan 8.270 nan 0.000 0.433 266 V N 1.833 121.687 119.914 -0.100 0.000 2.370 266 V HA 0.324 4.452 4.120 0.012 0.000 0.283 266 V C -0.464 175.550 176.094 -0.133 0.000 1.023 266 V CA -0.538 61.679 62.300 -0.138 0.000 0.857 266 V CB 1.461 33.202 31.823 -0.137 0.000 0.985 266 V HN 0.156 nan 8.190 nan 0.000 0.443 267 K N 3.066 123.370 120.400 -0.160 0.000 2.443 267 K HA 0.559 4.886 4.320 0.012 0.000 0.251 267 K C -1.094 175.402 176.600 -0.173 0.000 0.972 267 K CA -0.761 55.443 56.287 -0.139 0.000 0.833 267 K CB 2.382 34.810 32.500 -0.119 0.000 1.317 267 K HN 0.688 nan 8.250 nan 0.000 0.441 268 Q N 2.943 122.668 119.800 -0.126 0.000 2.357 268 Q HA 0.300 4.648 4.340 0.012 0.000 0.266 268 Q C -1.549 174.396 176.000 -0.091 0.000 1.021 268 Q CA -0.689 55.046 55.803 -0.112 0.000 0.784 268 Q CB 1.680 30.406 28.738 -0.019 0.000 1.243 268 Q HN 0.327 nan 8.270 nan 0.000 0.465 269 V N 4.085 123.908 119.914 -0.152 0.000 2.334 269 V HA 0.169 4.296 4.120 0.012 0.000 0.267 269 V C 0.804 176.826 176.094 -0.120 0.000 1.040 269 V CA 0.583 62.789 62.300 -0.158 0.000 0.866 269 V CB 0.239 31.890 31.823 -0.287 0.000 1.019 269 V HN 1.092 nan 8.190 nan 0.000 0.468 270 S N 5.219 120.917 115.700 -0.003 0.000 4.150 270 S HA -0.268 4.210 4.470 0.012 0.000 0.575 270 S C 1.647 176.230 174.600 -0.029 0.000 1.878 270 S CA 2.066 60.294 58.200 0.047 0.000 4.245 270 S CB -1.518 61.756 63.200 0.122 0.000 0.231 270 S HN 1.284 nan 8.310 nan 0.000 0.469 271 G N 0.488 109.092 108.800 -0.327 0.000 2.887 271 G HA2 0.364 4.332 3.960 0.012 0.000 0.211 271 G HA3 0.364 4.332 3.960 0.012 0.000 0.211 271 G C 0.325 175.138 174.900 -0.145 0.000 1.152 271 G CA 0.983 45.595 45.100 -0.815 0.000 0.769 271 G HN 0.766 nan 8.290 nan 0.000 0.541 272 T N 1.496 115.979 114.554 -0.118 0.000 2.780 272 T HA 0.395 4.752 4.350 0.012 0.000 0.294 272 T C -0.682 173.908 174.700 -0.184 0.000 0.949 272 T CA -0.266 61.782 62.100 -0.086 0.000 1.074 272 T CB 1.966 70.682 68.868 -0.252 0.000 0.910 272 T HN 0.028 nan 8.240 nan 0.000 0.501 273 L N 5.804 126.799 121.223 -0.380 0.000 2.265 273 L HA 0.534 4.882 4.340 0.012 0.000 0.288 273 L C -0.729 175.838 176.870 -0.505 0.000 1.058 273 L CA -0.184 54.259 54.840 -0.663 0.000 0.809 273 L CB 0.189 41.373 42.059 -1.457 0.000 1.179 273 L HN 0.582 nan 8.230 nan 0.000 0.429 274 I N 6.537 126.877 120.570 -0.385 0.000 2.354 274 I HA 0.363 4.540 4.170 0.012 0.000 0.292 274 I C -0.476 175.453 176.117 -0.312 0.000 0.989 274 I CA -0.443 60.666 61.300 -0.320 0.000 1.188 274 I CB 1.440 39.293 38.000 -0.244 0.000 1.342 274 I HN 0.484 nan 8.210 nan 0.000 0.457 275 I N 6.794 127.169 120.570 -0.324 0.000 2.382 275 I HA 0.305 4.482 4.170 0.012 0.000 0.285 275 I C -0.085 175.894 176.117 -0.231 0.000 1.007 275 I CA -0.719 60.414 61.300 -0.278 0.000 1.142 275 I CB 1.200 39.012 38.000 -0.313 0.000 1.289 275 I HN 0.489 nan 8.210 nan 0.000 0.453 276 K N 4.901 125.198 120.400 -0.172 0.000 2.098 276 K HA 0.240 4.567 4.320 0.012 0.000 0.257 276 K C -0.542 175.990 176.600 -0.113 0.000 0.999 276 K CA -0.720 55.485 56.287 -0.138 0.000 0.924 276 K CB 0.588 33.023 32.500 -0.108 0.000 1.028 276 K HN 0.499 nan 8.250 nan 0.000 0.466 277 D N 0.285 120.628 120.400 -0.095 0.000 2.904 277 D HA -0.178 4.469 4.640 0.012 0.000 0.231 277 D C -0.457 175.804 176.300 -0.065 0.000 1.185 277 D CA 0.779 54.738 54.000 -0.068 0.000 0.783 277 D CB -1.117 39.652 40.800 -0.052 0.000 0.961 277 D HN 0.696 nan 8.370 nan 0.000 0.409 278 A N 0.196 122.970 122.820 -0.077 0.000 2.498 278 A HA 0.509 4.836 4.320 0.012 0.000 0.239 278 A C 0.876 178.447 177.584 -0.022 0.000 1.068 278 A CA 0.185 52.185 52.037 -0.062 0.000 0.766 278 A CB 0.816 19.768 19.000 -0.079 0.000 1.003 278 A HN 0.761 nan 8.150 nan 0.000 0.497 279 V N 0.478 120.390 119.914 -0.003 0.000 3.102 279 V HA 0.533 4.660 4.120 0.012 0.000 0.312 279 V C 0.920 177.035 176.094 0.036 0.000 1.135 279 V CA -0.398 61.910 62.300 0.015 0.000 1.022 279 V CB 1.123 32.953 31.823 0.012 0.000 1.056 279 V HN 0.648 nan 8.190 nan 0.000 0.436 280 V N 0.509 120.447 119.914 0.040 0.000 2.469 280 V HA -0.149 3.979 4.120 0.012 0.000 0.251 280 V C 2.545 178.674 176.094 0.059 0.000 1.064 280 V CA 2.433 64.764 62.300 0.052 0.000 1.066 280 V CB -1.058 30.794 31.823 0.048 0.000 0.667 280 V HN 1.067 nan 8.190 nan 0.000 0.461 281 E N 0.221 120.451 120.200 0.049 0.000 2.267 281 E HA -0.186 4.171 4.350 0.012 0.000 0.197 281 E C 1.765 178.409 176.600 0.072 0.000 0.998 281 E CA 1.095 57.526 56.400 0.051 0.000 0.830 281 E CB -0.363 29.360 29.700 0.038 0.000 0.751 281 E HN 0.602 nan 8.360 nan 0.000 0.491 282 D N 0.046 120.497 120.400 0.086 0.000 2.371 282 D HA 0.006 4.654 4.640 0.012 0.000 0.221 282 D C 0.049 176.477 176.300 0.214 0.000 0.986 282 D CA 0.329 54.416 54.000 0.145 0.000 0.899 282 D CB 0.003 40.860 40.800 0.095 0.000 0.902 282 D HN -0.010 nan 8.370 nan 0.000 0.530 283 S N -0.037 115.752 115.700 0.149 0.000 2.568 283 S HA 0.476 4.953 4.470 0.012 0.000 0.282 283 S C 0.797 175.469 174.600 0.119 0.000 1.338 283 S CA 0.157 58.450 58.200 0.155 0.000 1.045 283 S CB 1.520 64.785 63.200 0.109 0.000 0.873 283 S HN 0.438 nan 8.310 nan 0.000 0.516 284 G N 1.428 110.304 108.800 0.126 0.000 2.356 284 G HA2 0.223 4.190 3.960 0.012 0.000 0.288 284 G HA3 0.223 4.190 3.960 0.012 0.000 0.288 284 G C -1.719 173.231 174.900 0.084 0.000 1.302 284 G CA -1.011 44.112 45.100 0.038 0.000 0.887 284 G HN 0.612 nan 8.290 nan 0.000 0.521 285 K N 0.364 120.809 120.400 0.075 0.000 2.281 285 K HA 0.603 4.930 4.320 0.012 0.000 0.272 285 K C -1.272 175.467 176.600 0.231 0.000 1.048 285 K CA -0.517 55.920 56.287 0.251 0.000 0.898 285 K CB 0.453 33.129 32.500 0.293 0.000 1.128 285 K HN 0.401 nan 8.250 nan 0.000 0.460 286 Y N 3.450 123.980 120.300 0.382 0.000 2.342 286 Y HA 0.338 4.896 4.550 0.012 0.000 0.334 286 Y C -0.336 175.822 175.900 0.430 0.000 1.067 286 Y CA -0.875 57.455 58.100 0.384 0.000 1.128 286 Y CB 1.380 40.066 38.460 0.378 0.000 1.200 286 Y HN 0.424 nan 8.280 nan 0.000 0.464 287 L N 4.652 126.141 121.223 0.444 0.000 2.349 287 L HA 0.582 4.929 4.340 0.012 0.000 0.278 287 L C -1.177 175.735 176.870 0.069 0.000 0.996 287 L CA -1.001 53.970 54.840 0.218 0.000 0.825 287 L CB 1.144 43.185 42.059 -0.029 0.000 1.243 287 L HN 0.791 nan 8.230 nan 0.000 0.412 288 c N 5.964 124.367 118.600 -0.329 0.000 2.295 288 c HA 0.825 5.402 4.570 0.012 0.000 0.331 288 c C -0.292 173.605 174.090 -0.322 0.000 1.280 288 c CA -0.424 55.416 56.329 -0.815 0.000 1.746 288 c CB 0.340 41.877 42.510 -1.623 0.000 2.328 288 c HN 0.672 nan 8.230 nan 0.000 0.521 289 V N 6.587 126.389 119.914 -0.186 0.000 2.435 289 V HA 0.561 4.689 4.120 0.012 0.000 0.290 289 V C -0.071 175.944 176.094 -0.132 0.000 1.030 289 V CA -0.397 61.841 62.300 -0.104 0.000 0.881 289 V CB 1.552 33.356 31.823 -0.032 0.000 0.983 289 V HN 0.744 nan 8.190 nan 0.000 0.445 290 V N 5.702 125.509 119.914 -0.179 0.000 2.376 290 V HA 0.598 4.726 4.120 0.012 0.000 0.287 290 V C -0.522 175.404 176.094 -0.281 0.000 1.015 290 V CA -0.271 61.810 62.300 -0.365 0.000 0.834 290 V CB 1.599 33.137 31.823 -0.474 0.000 1.001 290 V HN 1.020 nan 8.190 nan 0.000 0.428 291 N N 5.173 123.710 118.700 -0.271 0.000 2.404 291 N HA 0.702 5.450 4.740 0.012 0.000 0.297 291 N C -0.885 174.508 175.510 -0.195 0.000 1.163 291 N CA -0.718 52.221 53.050 -0.184 0.000 0.864 291 N CB 1.665 40.078 38.487 -0.123 0.000 1.247 291 N HN 0.909 nan 8.380 nan 0.000 0.510 292 N N -2.247 116.366 118.700 -0.145 0.000 3.243 292 N HA 0.191 4.938 4.740 0.012 0.000 0.280 292 N C -0.084 175.364 175.510 -0.102 0.000 1.545 292 N CA -0.557 52.412 53.050 -0.134 0.000 0.854 292 N CB 0.179 38.577 38.487 -0.149 0.000 1.612 292 N HN 0.345 nan 8.380 nan 0.000 0.577 293 S N -1.003 114.635 115.700 -0.103 0.000 2.419 293 S HA -0.077 4.400 4.470 0.012 0.000 0.235 293 S C 1.595 176.157 174.600 -0.062 0.000 1.019 293 S CA 1.353 59.505 58.200 -0.080 0.000 0.982 293 S CB -0.573 62.576 63.200 -0.085 0.000 0.789 293 S HN 0.356 nan 8.310 nan 0.000 0.490 294 V N 0.837 120.714 119.914 -0.061 0.000 2.374 294 V HA 0.405 4.532 4.120 0.012 0.000 0.241 294 V C 1.464 177.532 176.094 -0.042 0.000 1.034 294 V CA 1.227 63.502 62.300 -0.041 0.000 1.037 294 V CB -0.588 31.218 31.823 -0.028 0.000 0.682 294 V HN 0.710 nan 8.190 nan 0.000 0.463 295 G N -1.728 107.040 108.800 -0.052 0.000 2.749 295 G HA2 0.634 4.601 3.960 0.012 0.000 0.300 295 G HA3 0.634 4.601 3.960 0.012 0.000 0.300 295 G C -1.106 173.752 174.900 -0.070 0.000 1.352 295 G CA -0.093 44.976 45.100 -0.052 0.000 0.789 295 G HN 0.567 nan 8.290 nan 0.000 0.509 296 G N -0.754 108.006 108.800 -0.067 0.000 2.731 296 G HA2 0.564 4.531 3.960 0.012 0.000 0.298 296 G HA3 0.564 4.531 3.960 0.012 0.000 0.298 296 G C -1.622 173.236 174.900 -0.070 0.000 1.424 296 G CA -0.242 44.808 45.100 -0.083 0.000 1.029 296 G HN 0.578 nan 8.290 nan 0.000 0.518 297 E N 0.169 120.322 120.200 -0.079 0.000 2.359 297 E HA 0.796 5.153 4.350 0.012 0.000 0.266 297 E C -0.360 176.204 176.600 -0.060 0.000 0.920 297 E CA -0.611 55.757 56.400 -0.054 0.000 0.788 297 E CB 2.073 31.753 29.700 -0.033 0.000 1.279 297 E HN 0.765 nan 8.360 nan 0.000 0.438 298 S N 0.618 116.293 115.700 -0.041 0.000 2.536 298 S HA 0.761 5.238 4.470 0.012 0.000 0.271 298 S C -0.877 173.714 174.600 -0.015 0.000 1.134 298 S CA -0.474 57.698 58.200 -0.047 0.000 0.897 298 S CB 0.815 63.981 63.200 -0.057 0.000 1.094 298 S HN 0.838 nan 8.310 nan 0.000 0.473 299 V N -0.613 119.293 119.914 -0.014 0.000 3.001 299 V HA 0.856 4.983 4.120 0.012 0.000 0.314 299 V C -0.867 175.291 176.094 0.107 0.000 1.099 299 V CA -0.862 61.472 62.300 0.058 0.000 0.989 299 V CB 1.514 33.393 31.823 0.092 0.000 1.040 299 V HN 1.046 nan 8.190 nan 0.000 0.434 300 E N 0.528 120.873 120.200 0.242 0.000 2.336 300 E HA 0.773 5.130 4.350 0.012 0.000 0.267 300 E C -1.291 175.651 176.600 0.569 0.000 0.906 300 E CA -0.891 55.739 56.400 0.383 0.000 0.781 300 E CB 2.568 32.401 29.700 0.222 0.000 1.261 300 E HN 0.857 nan 8.360 nan 0.000 0.436 301 T N 0.604 115.504 114.554 0.576 0.000 3.011 301 T HA 0.224 4.582 4.350 0.012 0.000 0.303 301 T C -0.890 174.068 174.700 0.430 0.000 0.997 301 T CA -0.629 61.746 62.100 0.459 0.000 1.007 301 T CB 1.170 70.292 68.868 0.422 0.000 1.017 301 T HN 0.139 nan 8.240 nan 0.000 0.443 302 V N 4.501 124.576 119.914 0.269 0.000 2.322 302 V HA 0.316 4.443 4.120 0.012 0.000 0.258 302 V C -0.115 176.082 176.094 0.172 0.000 1.074 302 V CA -0.544 61.882 62.300 0.211 0.000 0.909 302 V CB 0.293 32.174 31.823 0.097 0.000 1.090 302 V HN 0.644 nan 8.190 nan 0.000 0.486 303 L N 6.170 127.546 121.223 0.256 0.000 2.275 303 L HA 0.693 5.040 4.340 0.012 0.000 0.288 303 L C 0.463 177.447 176.870 0.191 0.000 1.046 303 L CA 0.476 55.464 54.840 0.245 0.000 0.805 303 L CB 1.825 44.102 42.059 0.364 0.000 1.193 303 L HN 0.761 nan 8.230 nan 0.000 0.426 304 T N 2.269 116.907 114.554 0.141 0.000 2.906 304 T HA 0.608 4.965 4.350 0.012 0.000 0.302 304 T C -0.539 174.231 174.700 0.117 0.000 1.002 304 T CA -0.730 61.435 62.100 0.109 0.000 0.988 304 T CB 0.889 69.795 68.868 0.063 0.000 0.972 304 T HN 0.233 nan 8.240 nan 0.000 0.447 305 V N 4.020 124.004 119.914 0.117 0.000 2.465 305 V HA 0.564 4.691 4.120 0.012 0.000 0.279 305 V C 1.296 177.435 176.094 0.075 0.000 1.045 305 V CA -0.727 61.637 62.300 0.108 0.000 0.938 305 V CB 1.081 32.957 31.823 0.088 0.000 0.986 305 V HN 1.135 nan 8.190 nan 0.000 0.467 306 T N 1.660 116.254 114.554 0.067 0.000 2.788 306 T HA 0.782 5.140 4.350 0.012 0.000 0.280 306 T C -0.169 174.555 174.700 0.041 0.000 0.984 306 T CA -0.158 61.970 62.100 0.047 0.000 0.972 306 T CB 1.669 70.558 68.868 0.036 0.000 1.039 306 T HN 1.383 nan 8.240 nan 0.000 0.530 307 A N 1.609 124.450 122.820 0.035 0.000 2.480 307 A HA 0.657 4.985 4.320 0.012 0.000 0.289 307 A C -3.154 174.447 177.584 0.028 0.000 1.044 307 A CA -1.688 50.369 52.037 0.032 0.000 0.761 307 A CB 0.876 19.899 19.000 0.038 0.000 1.289 307 A HN 0.644 nan 8.150 nan 0.000 0.401 308 P HA 0.135 nan 4.420 nan 0.000 0.261 308 P C -0.454 176.856 177.300 0.017 0.000 1.173 308 P CA 0.425 63.534 63.100 0.015 0.000 0.760 308 P CB 0.306 32.013 31.700 0.012 0.000 0.783 309 L N 2.460 123.686 121.223 0.005 0.000 2.380 309 L HA 0.407 4.755 4.340 0.012 0.000 0.273 309 L C 0.799 177.666 176.870 -0.006 0.000 1.138 309 L CA 0.401 55.243 54.840 0.003 0.000 0.832 309 L CB 0.674 42.715 42.059 -0.030 0.000 1.124 309 L HN 0.376 nan 8.230 nan 0.000 0.454 310 S N 1.843 117.554 115.700 0.018 0.000 2.566 310 S HA 0.777 5.254 4.470 0.012 0.000 0.273 310 S C -0.969 173.655 174.600 0.040 0.000 1.157 310 S CA -0.415 57.791 58.200 0.010 0.000 0.938 310 S CB 1.621 64.829 63.200 0.014 0.000 1.087 310 S HN 0.726 nan 8.310 nan 0.000 0.474 311 A N 3.426 126.254 122.820 0.013 0.000 2.354 311 A HA 0.953 5.280 4.320 0.012 0.000 0.321 311 A C -0.751 176.853 177.584 0.033 0.000 1.125 311 A CA -0.767 51.291 52.037 0.036 0.000 0.799 311 A CB 1.590 20.577 19.000 -0.021 0.000 1.293 311 A HN 0.792 nan 8.150 nan 0.000 0.452 312 K N 1.575 122.008 120.400 0.053 0.000 2.575 312 K HA 0.501 4.829 4.320 0.012 0.000 0.255 312 K C -2.061 174.592 176.600 0.088 0.000 0.953 312 K CA -0.392 55.931 56.287 0.059 0.000 0.840 312 K CB 1.125 33.657 32.500 0.052 0.000 1.303 312 K HN 0.641 nan 8.250 nan 0.000 0.438 313 I N 2.807 123.441 120.570 0.107 0.000 2.353 313 I HA 0.209 4.386 4.170 0.012 0.000 0.293 313 I C -0.539 175.685 176.117 0.179 0.000 0.992 313 I CA -0.596 60.813 61.300 0.181 0.000 1.268 313 I CB 1.508 39.642 38.000 0.222 0.000 1.387 313 I HN 0.621 nan 8.210 nan 0.000 0.478 314 D N 8.882 129.401 120.400 0.199 0.000 2.344 314 D HA 0.430 5.077 4.640 0.012 0.000 0.239 314 D C -2.573 173.833 176.300 0.177 0.000 1.064 314 D CA -1.919 52.171 54.000 0.150 0.000 0.829 314 D CB 1.771 42.632 40.800 0.101 0.000 1.129 314 D HN 0.107 nan 8.370 nan 0.000 0.506 315 P HA 0.374 nan 4.420 nan 0.000 0.283 315 P C -2.264 175.134 177.300 0.163 0.000 1.271 315 P CA -1.525 61.649 63.100 0.122 0.000 0.841 315 P CB 1.169 32.910 31.700 0.068 0.000 1.122 316 P HA -0.007 nan 4.420 nan 0.000 0.217 316 P C 0.359 177.721 177.300 0.104 0.000 1.151 316 P CA 1.666 64.826 63.100 0.100 0.000 0.828 316 P CB 0.225 31.961 31.700 0.059 0.000 0.788 317 T N -0.969 113.639 114.554 0.090 0.000 2.982 317 T HA 0.458 4.815 4.350 0.012 0.000 0.321 317 T C -2.080 172.659 174.700 0.065 0.000 1.229 317 T CA -0.699 61.451 62.100 0.084 0.000 1.044 317 T CB 1.108 69.990 68.868 0.024 0.000 1.184 317 T HN 0.008 nan 8.240 nan 0.000 0.477 318 Q N 1.540 121.383 119.800 0.071 0.000 2.377 318 Q HA 0.690 5.038 4.340 0.012 0.000 0.279 318 Q C -1.604 174.387 176.000 -0.015 0.000 1.049 318 Q CA -1.121 54.685 55.803 0.005 0.000 0.825 318 Q CB 1.817 30.531 28.738 -0.041 0.000 1.401 318 Q HN 0.497 nan 8.270 nan 0.000 0.404 319 T N 1.314 115.840 114.554 -0.048 0.000 2.788 319 T HA 0.525 4.883 4.350 0.012 0.000 0.296 319 T C -0.173 174.463 174.700 -0.108 0.000 1.009 319 T CA -0.641 61.421 62.100 -0.063 0.000 0.949 319 T CB 0.951 69.791 68.868 -0.048 0.000 0.946 319 T HN 0.593 nan 8.240 nan 0.000 0.453 320 V N -0.071 119.756 119.914 -0.145 0.000 2.628 320 V HA 0.676 4.803 4.120 0.012 0.000 0.306 320 V C -0.698 175.254 176.094 -0.238 0.000 1.045 320 V CA -1.095 61.095 62.300 -0.184 0.000 0.905 320 V CB 1.799 33.504 31.823 -0.196 0.000 0.997 320 V HN 0.597 nan 8.190 nan 0.000 0.436 321 D N 2.772 123.036 120.400 -0.227 0.000 2.304 321 D HA 0.379 5.026 4.640 0.012 0.000 0.247 321 D C -0.062 176.163 176.300 -0.125 0.000 1.089 321 D CA 0.103 53.966 54.000 -0.228 0.000 0.910 321 D CB 0.952 41.526 40.800 -0.376 0.000 1.199 321 D HN 0.541 nan 8.370 nan 0.000 0.426 322 F N 0.538 120.559 119.950 0.118 0.000 2.629 322 F HA 0.200 4.734 4.527 0.012 0.000 0.377 322 F C 2.018 177.930 175.800 0.186 0.000 1.101 322 F CA 1.359 59.463 58.000 0.174 0.000 1.301 322 F CB 0.237 39.377 39.000 0.234 0.000 1.062 322 F HN 0.608 nan 8.300 nan 0.000 0.583 323 G N 1.466 110.426 108.800 0.267 0.000 2.284 323 G HA2 -0.260 3.707 3.960 0.012 0.000 0.247 323 G HA3 -0.260 3.707 3.960 0.012 0.000 0.247 323 G C 0.556 175.498 174.900 0.070 0.000 1.012 323 G CA -0.444 44.760 45.100 0.173 0.000 0.618 323 G HN 0.482 nan 8.290 nan 0.000 0.521 324 R N 1.355 121.864 120.500 0.016 0.000 2.528 324 R HA 0.521 4.868 4.340 0.012 0.000 0.271 324 R C -2.312 173.933 176.300 -0.091 0.000 1.056 324 R CA -2.105 53.962 56.100 -0.055 0.000 1.117 324 R CB 0.228 30.463 30.300 -0.108 0.000 1.085 324 R HN 0.288 nan 8.270 nan 0.000 0.530 325 P HA 0.268 nan 4.420 nan 0.000 0.278 325 P C -1.252 175.915 177.300 -0.222 0.000 1.238 325 P CA -0.447 62.562 63.100 -0.152 0.000 0.794 325 P CB 1.127 32.744 31.700 -0.138 0.000 0.955 326 A N 2.596 125.233 122.820 -0.304 0.000 2.330 326 A HA 0.590 4.917 4.320 0.012 0.000 0.313 326 A C -0.808 176.390 177.584 -0.643 0.000 1.124 326 A CA -0.669 51.082 52.037 -0.477 0.000 0.774 326 A CB 1.074 19.757 19.000 -0.528 0.000 1.198 326 A HN 0.297 nan 8.150 nan 0.000 0.465 327 V N 2.479 121.996 119.914 -0.663 0.000 2.417 327 V HA 0.572 4.700 4.120 0.012 0.000 0.291 327 V C -1.135 174.546 176.094 -0.689 0.000 1.024 327 V CA -0.316 61.649 62.300 -0.558 0.000 0.861 327 V CB 0.832 32.479 31.823 -0.293 0.000 0.985 327 V HN 0.684 nan 8.190 nan 0.000 0.436 328 F N 1.590 121.393 119.950 -0.244 0.000 2.482 328 F HA 0.637 5.172 4.527 0.012 0.000 0.331 328 F C 0.571 176.388 175.800 0.029 0.000 1.115 328 F CA -0.611 57.316 58.000 -0.123 0.000 0.955 328 F CB 2.169 41.011 39.000 -0.263 0.000 1.136 328 F HN 0.321 nan 8.300 nan 0.000 0.452 329 T N 2.086 116.847 114.554 0.345 0.000 2.786 329 T HA 0.227 4.584 4.350 0.012 0.000 0.283 329 T C -0.865 174.079 174.700 0.407 0.000 0.992 329 T CA -0.436 61.859 62.100 0.325 0.000 0.954 329 T CB 1.022 69.994 68.868 0.173 0.000 0.934 329 T HN 0.727 nan 8.240 nan 0.000 0.440 330 c N 5.499 124.391 118.600 0.488 0.000 2.281 330 c HA 0.341 4.919 4.570 0.012 0.000 0.336 330 c C 0.089 174.329 174.090 0.249 0.000 1.217 330 c CA -0.545 55.972 56.329 0.314 0.000 1.730 330 c CB -0.802 41.808 42.510 0.167 0.000 2.338 330 c HN 0.678 nan 8.230 nan 0.000 0.521 331 Q N 4.958 124.853 119.800 0.157 0.000 2.303 331 Q HA 0.409 4.756 4.340 0.012 0.000 0.257 331 Q C -0.970 175.085 176.000 0.092 0.000 0.941 331 Q CA -0.030 55.803 55.803 0.051 0.000 0.931 331 Q CB 1.756 30.510 28.738 0.027 0.000 1.215 331 Q HN 0.878 nan 8.270 nan 0.000 0.437 332 Y N -1.428 118.881 120.300 0.015 0.000 2.553 332 Y HA 0.782 5.339 4.550 0.012 0.000 0.347 332 Y C -0.507 175.395 175.900 0.003 0.000 1.019 332 Y CA -1.165 56.932 58.100 -0.004 0.000 1.032 332 Y CB 1.388 39.837 38.460 -0.018 0.000 1.284 332 Y HN 0.418 nan 8.280 nan 0.000 0.466 333 T N -0.620 114.032 114.554 0.163 0.000 2.906 333 T HA 0.926 5.283 4.350 0.012 0.000 0.295 333 T C -0.127 174.653 174.700 0.133 0.000 1.061 333 T CA -0.413 61.747 62.100 0.100 0.000 1.000 333 T CB 1.367 70.257 68.868 0.036 0.000 1.103 333 T HN 2.146 nan 8.240 nan 0.000 0.486 334 G N 0.806 109.671 108.800 0.108 0.000 2.335 334 G HA2 0.328 4.296 3.960 0.012 0.000 0.592 334 G HA3 0.328 4.296 3.960 0.012 0.000 0.592 334 G C -1.707 173.246 174.900 0.088 0.000 1.442 334 G CA -0.805 44.344 45.100 0.081 0.000 0.976 334 G HN 1.077 nan 8.290 nan 0.000 0.652 335 N N 0.572 119.308 118.700 0.060 0.000 2.324 335 N HA 0.795 5.542 4.740 0.012 0.000 0.285 335 N C -2.859 172.676 175.510 0.041 0.000 1.076 335 N CA -1.180 51.904 53.050 0.058 0.000 0.864 335 N CB 3.413 41.936 38.487 0.059 0.000 1.632 335 N HN 0.472 nan 8.380 nan 0.000 0.478 336 P HA 0.407 nan 4.420 nan 0.000 0.281 336 P C -0.919 176.396 177.300 0.026 0.000 1.264 336 P CA -0.521 62.603 63.100 0.040 0.000 0.824 336 P CB 1.203 32.923 31.700 0.034 0.000 1.092 337 I N 2.107 122.694 120.570 0.028 0.000 2.339 337 I HA 0.266 4.443 4.170 0.012 0.000 0.290 337 I C 1.199 177.306 176.117 -0.017 0.000 0.994 337 I CA -0.520 60.769 61.300 -0.018 0.000 1.191 337 I CB 1.343 39.315 38.000 -0.046 0.000 1.343 337 I HN 0.428 nan 8.210 nan 0.000 0.458 338 K N 3.717 124.101 120.400 -0.028 0.000 2.313 338 K HA 0.142 4.469 4.320 0.012 0.000 0.197 338 K C -0.008 176.581 176.600 -0.018 0.000 1.061 338 K CA 0.886 57.166 56.287 -0.011 0.000 0.980 338 K CB 0.520 33.019 32.500 -0.003 0.000 0.888 338 K HN 0.739 nan 8.250 nan 0.000 0.502 339 T N -0.993 113.535 114.554 -0.043 0.000 3.335 339 T HA 0.408 4.766 4.350 0.012 0.000 0.321 339 T C -1.069 173.582 174.700 -0.081 0.000 0.960 339 T CA -0.909 61.170 62.100 -0.035 0.000 1.034 339 T CB 1.207 70.074 68.868 -0.000 0.000 1.040 339 T HN -0.223 nan 8.240 nan 0.000 0.454 340 V N 3.784 123.635 119.914 -0.105 0.000 2.333 340 V HA 0.700 4.827 4.120 0.012 0.000 0.274 340 V C 0.311 176.378 176.094 -0.044 0.000 1.028 340 V CA -0.457 61.750 62.300 -0.156 0.000 0.851 340 V CB 0.622 32.308 31.823 -0.228 0.000 1.000 340 V HN 1.129 nan 8.190 nan 0.000 0.456 341 S N 3.247 118.921 115.700 -0.042 0.000 2.536 341 S HA 0.742 5.219 4.470 0.012 0.000 0.287 341 S C -1.221 173.366 174.600 -0.021 0.000 1.101 341 S CA -0.892 57.331 58.200 0.038 0.000 0.950 341 S CB 1.387 64.615 63.200 0.048 0.000 1.056 341 S HN 0.493 nan 8.310 nan 0.000 0.481 342 W N 1.609 122.957 121.300 0.080 0.000 2.390 342 W HA 0.783 5.450 4.660 0.012 0.000 0.362 342 W C 0.239 176.743 176.519 -0.024 0.000 1.206 342 W CA -0.718 56.669 57.345 0.070 0.000 1.355 342 W CB 1.478 31.025 29.460 0.145 0.000 1.278 342 W HN 0.749 nan 8.180 nan 0.000 0.653 343 M N 1.889 121.659 119.600 0.283 0.000 2.603 343 M HA 0.322 4.809 4.480 0.012 0.000 0.275 343 M C -1.662 174.681 176.300 0.071 0.000 1.226 343 M CA -0.811 54.517 55.300 0.047 0.000 0.870 343 M CB 2.131 34.599 32.600 -0.218 0.000 1.716 343 M HN 0.197 nan 8.290 nan 0.000 0.482 344 K N 2.326 122.691 120.400 -0.058 0.000 2.565 344 K HA 0.224 4.551 4.320 0.012 0.000 0.249 344 K C -1.494 174.986 176.600 -0.199 0.000 0.958 344 K CA -0.070 56.087 56.287 -0.216 0.000 0.806 344 K CB 1.179 33.514 32.500 -0.275 0.000 1.194 344 K HN 0.870 nan 8.250 nan 0.000 0.434 345 D N 3.515 123.786 120.400 -0.215 0.000 2.720 345 D HA -0.242 4.405 4.640 0.012 0.000 0.229 345 D C 0.828 177.069 176.300 -0.098 0.000 1.198 345 D CA 2.048 55.962 54.000 -0.143 0.000 0.639 345 D CB -0.804 39.910 40.800 -0.144 0.000 1.003 345 D HN 1.066 nan 8.370 nan 0.000 0.411 346 G N -0.763 107.985 108.800 -0.088 0.000 3.757 346 G HA2 -0.333 3.635 3.960 0.012 0.000 0.215 346 G HA3 -0.333 3.635 3.960 0.012 0.000 0.215 346 G C 0.285 175.135 174.900 -0.084 0.000 1.411 346 G CA 0.298 45.356 45.100 -0.070 0.000 0.896 346 G HN 0.332 nan 8.290 nan 0.000 0.581 347 K N 2.195 122.551 120.400 -0.074 0.000 2.270 347 K HA 0.711 5.038 4.320 0.012 0.000 0.276 347 K C 0.739 177.299 176.600 -0.066 0.000 1.023 347 K CA 0.415 56.665 56.287 -0.062 0.000 0.955 347 K CB 1.101 33.575 32.500 -0.043 0.000 0.975 347 K HN 0.893 nan 8.250 nan 0.000 0.471 348 A N 3.188 125.973 122.820 -0.057 0.000 2.313 348 A HA 0.543 4.871 4.320 0.012 0.000 0.261 348 A C 0.511 178.104 177.584 0.016 0.000 1.090 348 A CA -0.555 51.459 52.037 -0.039 0.000 0.807 348 A CB 0.028 18.999 19.000 -0.048 0.000 1.055 348 A HN 0.783 nan 8.150 nan 0.000 0.492 349 I N -2.560 118.053 120.570 0.070 0.000 3.237 349 I HA 0.781 4.958 4.170 0.012 0.000 0.308 349 I C 0.964 177.156 176.117 0.125 0.000 1.093 349 I CA -0.616 60.746 61.300 0.104 0.000 1.001 349 I CB 1.732 39.821 38.000 0.148 0.000 1.245 349 I HN 0.530 nan 8.210 nan 0.000 0.485 350 G N -0.307 108.570 108.800 0.129 0.000 2.650 350 G HA2 -0.067 3.900 3.960 0.012 0.000 0.214 350 G HA3 -0.067 3.900 3.960 0.012 0.000 0.214 350 G C 0.362 175.357 174.900 0.158 0.000 1.136 350 G CA 0.161 45.332 45.100 0.117 0.000 0.789 350 G HN 0.722 nan 8.290 nan 0.000 0.536 351 H N 0.899 120.044 119.070 0.124 0.000 2.848 351 H HA 0.357 4.920 4.556 0.012 0.000 0.317 351 H C 0.746 176.232 175.328 0.262 0.000 1.046 351 H CA 0.472 56.614 56.048 0.156 0.000 1.470 351 H CB 0.992 30.799 29.762 0.076 0.000 1.483 351 H HN 0.084 nan 8.280 nan 0.000 0.548 352 S N 3.427 119.155 115.700 0.045 0.000 2.843 352 S HA 0.277 4.754 4.470 0.012 0.000 0.249 352 S C -0.196 174.466 174.600 0.103 0.000 1.047 352 S CA -0.821 57.451 58.200 0.120 0.000 1.042 352 S CB 0.320 63.552 63.200 0.053 0.000 0.936 352 S HN 0.524 nan 8.310 nan 0.000 0.531 353 E N 1.347 121.632 120.200 0.141 0.000 2.277 353 E HA 0.392 4.749 4.350 0.012 0.000 0.266 353 E C 0.643 177.559 176.600 0.526 0.000 0.901 353 E CA -0.190 56.337 56.400 0.212 0.000 0.782 353 E CB 2.041 31.773 29.700 0.054 0.000 1.228 353 E HN 0.289 nan 8.360 nan 0.000 0.424 354 S N 0.227 116.187 115.700 0.434 0.000 2.368 354 S HA -0.124 4.353 4.470 0.012 0.000 0.226 354 S C 1.175 176.179 174.600 0.673 0.000 1.044 354 S CA 0.809 59.324 58.200 0.525 0.000 1.062 354 S CB -0.291 63.145 63.200 0.393 0.000 0.931 354 S HN 0.273 nan 8.310 nan 0.000 0.440 355 V N 3.716 123.893 119.914 0.439 0.000 2.368 355 V HA 0.361 4.489 4.120 0.012 0.000 0.266 355 V C 0.002 176.120 176.094 0.040 0.000 1.045 355 V CA -0.571 61.883 62.300 0.256 0.000 0.899 355 V CB 1.008 32.914 31.823 0.139 0.000 1.006 355 V HN 0.485 nan 8.190 nan 0.000 0.470 356 L N 6.610 127.615 121.223 -0.363 0.000 2.290 356 L HA 0.599 4.946 4.340 0.012 0.000 0.284 356 L C -0.135 176.401 176.870 -0.556 0.000 1.078 356 L CA -0.238 54.055 54.840 -0.911 0.000 0.815 356 L CB 1.212 42.295 42.059 -1.627 0.000 1.162 356 L HN 0.711 nan 8.230 nan 0.000 0.435 357 R N 5.282 125.468 120.500 -0.523 0.000 2.435 357 R HA 0.490 4.837 4.340 0.012 0.000 0.308 357 R C -0.972 175.146 176.300 -0.304 0.000 0.975 357 R CA -0.365 55.525 56.100 -0.351 0.000 0.867 357 R CB 0.759 30.926 30.300 -0.222 0.000 1.171 357 R HN 0.638 nan 8.270 nan 0.000 0.470 358 I N 4.681 125.063 120.570 -0.314 0.000 2.396 358 I HA 0.095 4.272 4.170 0.012 0.000 0.289 358 I C 1.016 177.032 176.117 -0.169 0.000 1.056 358 I CA 0.002 61.172 61.300 -0.217 0.000 1.365 358 I CB 1.561 39.428 38.000 -0.222 0.000 1.407 358 I HN 0.718 nan 8.210 nan 0.000 0.509 359 E N 2.910 123.045 120.200 -0.109 0.000 2.112 359 E HA -0.064 4.293 4.350 0.012 0.000 0.190 359 E C 0.456 177.018 176.600 -0.063 0.000 0.979 359 E CA 0.721 57.071 56.400 -0.082 0.000 0.814 359 E CB 0.287 29.955 29.700 -0.053 0.000 0.762 359 E HN 0.499 nan 8.360 nan 0.000 0.460 360 S N 0.652 116.325 115.700 -0.044 0.000 2.609 360 S HA 0.228 4.706 4.470 0.012 0.000 0.250 360 S C -0.702 173.900 174.600 0.004 0.000 1.112 360 S CA -0.609 57.584 58.200 -0.013 0.000 1.102 360 S CB 0.947 64.154 63.200 0.012 0.000 1.124 360 S HN -0.068 nan 8.310 nan 0.000 0.460 361 V N 6.170 126.077 119.914 -0.012 0.000 2.843 361 V HA 0.429 4.556 4.120 0.012 0.000 0.305 361 V C 0.368 176.514 176.094 0.087 0.000 1.065 361 V CA 0.300 62.598 62.300 -0.004 0.000 1.116 361 V CB 0.818 32.590 31.823 -0.084 0.000 0.968 361 V HN 0.872 nan 8.190 nan 0.000 0.487 362 K N 2.772 123.242 120.400 0.118 0.000 2.522 362 K HA 0.494 4.821 4.320 0.012 0.000 0.275 362 K C 0.629 177.368 176.600 0.231 0.000 1.006 362 K CA -1.018 55.422 56.287 0.254 0.000 0.890 362 K CB 1.830 34.445 32.500 0.191 0.000 1.475 362 K HN 0.195 nan 8.250 nan 0.000 0.441 363 K N 0.982 121.601 120.400 0.365 0.000 2.049 363 K HA -0.270 4.057 4.320 0.012 0.000 0.219 363 K C 1.532 178.221 176.600 0.149 0.000 1.056 363 K CA 2.650 59.116 56.287 0.299 0.000 0.946 363 K CB -0.147 32.493 32.500 0.233 0.000 0.723 363 K HN 0.745 nan 8.250 nan 0.000 0.453 364 E N 0.268 120.535 120.200 0.112 0.000 2.401 364 E HA -0.202 4.155 4.350 0.012 0.000 0.199 364 E C 0.860 177.511 176.600 0.085 0.000 1.023 364 E CA 1.093 57.537 56.400 0.073 0.000 0.859 364 E CB -0.205 29.526 29.700 0.052 0.000 0.780 364 E HN 0.466 nan 8.360 nan 0.000 0.523 365 D N 1.876 122.349 120.400 0.121 0.000 2.363 365 D HA -0.039 4.608 4.640 0.012 0.000 0.220 365 D C 0.668 177.107 176.300 0.231 0.000 0.994 365 D CA 0.377 54.495 54.000 0.197 0.000 0.890 365 D CB 0.067 40.971 40.800 0.173 0.000 0.906 365 D HN 0.437 nan 8.370 nan 0.000 0.530 366 K N 0.500 120.983 120.400 0.138 0.000 2.380 366 K HA 0.330 4.657 4.320 0.012 0.000 0.267 366 K C 0.746 177.416 176.600 0.116 0.000 0.990 366 K CA -0.015 56.357 56.287 0.142 0.000 0.946 366 K CB 0.925 33.488 32.500 0.106 0.000 0.937 366 K HN 0.001 nan 8.250 nan 0.000 0.491 367 G N 0.933 109.823 108.800 0.151 0.000 2.396 367 G HA2 -0.042 3.926 3.960 0.012 0.000 0.254 367 G HA3 -0.042 3.926 3.960 0.012 0.000 0.254 367 G C -1.015 173.886 174.900 0.001 0.000 1.248 367 G CA -0.609 44.529 45.100 0.063 0.000 1.033 367 G HN 0.515 nan 8.290 nan 0.000 0.502 368 M N 0.150 119.672 119.600 -0.129 0.000 2.264 368 M HA 0.550 5.038 4.480 0.012 0.000 0.352 368 M C -1.071 175.040 176.300 -0.316 0.000 1.173 368 M CA -0.550 54.681 55.300 -0.116 0.000 1.075 368 M CB 0.642 33.195 32.600 -0.079 0.000 1.621 368 M HN 0.480 nan 8.290 nan 0.000 0.457 369 Y N 1.558 121.763 120.300 -0.158 0.000 2.376 369 Y HA 0.368 4.925 4.550 0.012 0.000 0.326 369 Y C 0.253 176.156 175.900 0.006 0.000 0.970 369 Y CA -0.534 57.466 58.100 -0.167 0.000 1.248 369 Y CB 1.288 39.373 38.460 -0.624 0.000 1.117 369 Y HN 0.582 nan 8.280 nan 0.000 0.476 370 Q N 1.990 121.889 119.800 0.166 0.000 2.230 370 Q HA 0.450 4.798 4.340 0.012 0.000 0.248 370 Q C -0.849 175.145 176.000 -0.010 0.000 0.915 370 Q CA -0.577 55.293 55.803 0.111 0.000 0.900 370 Q CB 2.105 30.895 28.738 0.088 0.000 1.229 370 Q HN 0.728 nan 8.270 nan 0.000 0.439 371 c N 3.822 122.265 118.600 -0.261 0.000 2.345 371 c HA 0.617 5.194 4.570 0.012 0.000 0.323 371 c C -1.055 172.981 174.090 -0.090 0.000 1.276 371 c CA -0.552 55.363 56.329 -0.690 0.000 1.543 371 c CB -0.553 41.196 42.510 -1.270 0.000 2.211 371 c HN 0.801 nan 8.230 nan 0.000 0.493 372 F N 4.914 124.635 119.950 -0.382 0.000 2.443 372 F HA 0.590 5.124 4.527 0.012 0.000 0.335 372 F C 0.252 175.897 175.800 -0.258 0.000 1.104 372 F CA -0.801 57.059 58.000 -0.234 0.000 1.013 372 F CB 2.083 40.995 39.000 -0.146 0.000 1.136 372 F HN 0.584 nan 8.300 nan 0.000 0.470 373 V N 2.359 122.173 119.914 -0.167 0.000 2.380 373 V HA 0.692 4.819 4.120 0.012 0.000 0.286 373 V C -0.854 175.135 176.094 -0.174 0.000 1.015 373 V CA -0.770 61.394 62.300 -0.226 0.000 0.834 373 V CB 1.114 32.744 31.823 -0.321 0.000 1.009 373 V HN 0.873 nan 8.190 nan 0.000 0.428 374 R N 3.027 123.460 120.500 -0.112 0.000 2.837 374 R HA 0.895 5.242 4.340 0.012 0.000 0.271 374 R C -0.579 175.696 176.300 -0.041 0.000 0.993 374 R CA -0.689 55.370 56.100 -0.069 0.000 0.931 374 R CB 1.782 32.071 30.300 -0.020 0.000 1.206 374 R HN 0.738 nan 8.270 nan 0.000 0.474 375 N N -0.481 118.206 118.700 -0.021 0.000 3.600 375 N HA 0.245 4.993 4.740 0.012 0.000 0.348 375 N C -0.525 174.987 175.510 0.004 0.000 1.649 375 N CA -0.644 52.400 53.050 -0.009 0.000 0.710 375 N CB 0.013 38.493 38.487 -0.013 0.000 2.380 375 N HN 0.477 nan 8.380 nan 0.000 0.631 376 D N -1.079 119.318 120.400 -0.004 0.000 2.123 376 D HA 0.056 4.704 4.640 0.012 0.000 0.200 376 D C 1.158 177.443 176.300 -0.026 0.000 0.976 376 D CA 1.185 55.178 54.000 -0.010 0.000 0.831 376 D CB 0.126 40.913 40.800 -0.022 0.000 0.974 376 D HN 0.306 nan 8.370 nan 0.000 0.469 377 R N -0.106 120.374 120.500 -0.033 0.000 2.373 377 R HA 0.331 4.679 4.340 0.012 0.000 0.221 377 R C 0.177 176.463 176.300 -0.023 0.000 0.893 377 R CA 0.131 56.193 56.100 -0.063 0.000 1.049 377 R CB 1.016 31.277 30.300 -0.065 0.000 1.119 377 R HN 0.279 nan 8.270 nan 0.000 0.535 378 E N 0.061 120.264 120.200 0.006 0.000 2.416 378 E HA 0.364 4.721 4.350 0.012 0.000 0.273 378 E C -1.106 175.488 176.600 -0.010 0.000 0.935 378 E CA -0.643 55.763 56.400 0.010 0.000 0.784 378 E CB 2.552 32.246 29.700 -0.011 0.000 1.301 378 E HN -0.025 nan 8.360 nan 0.000 0.454 379 S N -0.189 115.476 115.700 -0.057 0.000 2.652 379 S HA 0.685 5.163 4.470 0.012 0.000 0.273 379 S C -1.095 173.355 174.600 -0.251 0.000 1.172 379 S CA -0.928 57.177 58.200 -0.159 0.000 1.009 379 S CB 1.299 64.397 63.200 -0.169 0.000 1.094 379 S HN 0.568 nan 8.310 nan 0.000 0.471 380 A N 2.578 125.234 122.820 -0.273 0.000 2.317 380 A HA 0.867 5.194 4.320 0.012 0.000 0.327 380 A C -0.144 177.201 177.584 -0.399 0.000 1.178 380 A CA -0.671 51.206 52.037 -0.266 0.000 0.817 380 A CB 0.951 19.865 19.000 -0.143 0.000 1.189 380 A HN 1.039 nan 8.150 nan 0.000 0.489 381 E N 1.117 121.090 120.200 -0.378 0.000 2.244 381 E HA 0.819 5.176 4.350 0.012 0.000 0.266 381 E C -0.690 175.853 176.600 -0.096 0.000 0.914 381 E CA -0.424 55.780 56.400 -0.328 0.000 0.794 381 E CB 1.924 31.390 29.700 -0.390 0.000 1.210 381 E HN 1.041 nan 8.360 nan 0.000 0.414 382 A N 1.395 124.210 122.820 -0.008 0.000 2.455 382 A HA 0.669 4.996 4.320 0.012 0.000 0.300 382 A C -0.865 176.759 177.584 0.065 0.000 1.040 382 A CA -0.609 51.443 52.037 0.024 0.000 0.697 382 A CB 1.920 20.915 19.000 -0.008 0.000 1.265 382 A HN 0.551 nan 8.150 nan 0.000 0.407 383 S N 0.166 115.923 115.700 0.095 0.000 2.664 383 S HA 0.936 5.413 4.470 0.012 0.000 0.304 383 S C -0.317 174.332 174.600 0.082 0.000 1.099 383 S CA 0.267 58.525 58.200 0.097 0.000 1.003 383 S CB 1.531 64.794 63.200 0.105 0.000 1.092 383 S HN 2.371 nan 8.310 nan 0.000 0.525 384 A N 1.801 124.659 122.820 0.063 0.000 2.608 384 A HA 0.689 5.016 4.320 0.012 0.000 0.292 384 A C -1.362 176.260 177.584 0.065 0.000 1.066 384 A CA -0.657 51.421 52.037 0.069 0.000 0.676 384 A CB 1.296 20.339 19.000 0.071 0.000 1.277 384 A HN 0.795 nan 8.150 nan 0.000 0.413 385 E N 0.183 120.462 120.200 0.133 0.000 2.288 385 E HA 0.647 5.004 4.350 0.012 0.000 0.268 385 E C -1.991 174.782 176.600 0.288 0.000 0.885 385 E CA -0.714 55.783 56.400 0.161 0.000 0.767 385 E CB 1.819 31.554 29.700 0.057 0.000 1.220 385 E HN 0.640 nan 8.360 nan 0.000 0.427 386 L N 3.755 125.179 121.223 0.334 0.000 2.316 386 L HA 0.448 4.795 4.340 0.012 0.000 0.280 386 L C -1.149 175.827 176.870 0.177 0.000 1.006 386 L CA -0.293 54.731 54.840 0.307 0.000 0.836 386 L CB 1.014 43.357 42.059 0.473 0.000 1.221 386 L HN 0.449 nan 8.230 nan 0.000 0.418 387 K N 5.229 125.684 120.400 0.091 0.000 2.130 387 K HA 0.469 4.796 4.320 0.012 0.000 0.268 387 K C -0.891 175.700 176.600 -0.015 0.000 0.983 387 K CA -0.658 55.667 56.287 0.064 0.000 0.893 387 K CB 1.413 33.932 32.500 0.032 0.000 1.066 387 K HN 0.559 nan 8.250 nan 0.000 0.450 388 L N 3.261 124.462 121.223 -0.037 0.000 2.312 388 L HA 0.125 4.472 4.340 0.012 0.000 0.287 388 L C 1.209 177.980 176.870 -0.164 0.000 1.091 388 L CA -0.280 54.426 54.840 -0.223 0.000 0.846 388 L CB 0.662 42.562 42.059 -0.265 0.000 1.219 388 L HN 0.925 nan 8.230 nan 0.000 0.439 389 G N 1.576 110.269 108.800 -0.178 0.000 2.561 389 G HA2 0.374 4.341 3.960 0.012 0.000 0.208 389 G HA3 0.374 4.341 3.960 0.012 0.000 0.208 389 G C 0.960 175.862 174.900 0.003 0.000 1.510 389 G CA 0.735 45.794 45.100 -0.070 0.000 0.941 389 G HN 0.837 nan 8.290 nan 0.000 0.478 390 G N 0.142 108.943 108.800 0.001 0.000 4.026 390 G HA2 -0.377 3.590 3.960 0.012 0.000 0.309 390 G HA3 -0.377 3.590 3.960 0.012 0.000 0.309 390 G C 0.743 175.783 174.900 0.234 0.000 1.411 390 G CA 1.212 46.433 45.100 0.201 0.000 1.037 390 G HN 1.400 nan 8.290 nan 0.000 0.687 391 R N -0.770 119.895 120.500 0.273 0.000 3.205 391 R HA -0.136 4.211 4.340 0.012 0.000 0.249 391 R C -0.527 175.979 176.300 0.344 0.000 0.937 391 R CA 1.174 57.413 56.100 0.232 0.000 0.641 391 R CB -1.707 28.681 30.300 0.146 0.000 1.114 391 R HN 1.222 nan 8.270 nan 0.000 0.451 392 F N 1.497 121.525 119.950 0.130 0.000 2.729 392 F HA 0.100 4.634 4.527 0.012 0.000 0.405 392 F C -0.536 175.262 175.800 -0.002 0.000 1.349 392 F CA -0.917 57.153 58.000 0.116 0.000 1.098 392 F CB 0.329 39.458 39.000 0.215 0.000 2.254 392 F HN 0.177 nan 8.300 nan 0.000 0.512 393 D N 3.047 123.358 120.400 -0.148 0.000 2.425 393 D HA 0.159 4.807 4.640 0.012 0.000 0.247 393 D C -2.640 173.407 176.300 -0.421 0.000 1.147 393 D CA -1.088 52.726 54.000 -0.310 0.000 0.879 393 D CB 1.056 41.745 40.800 -0.186 0.000 1.179 393 D HN 0.140 nan 8.370 nan 0.000 0.456 394 P HA 0.232 nan 4.420 nan 0.000 0.277 394 P C -2.606 174.535 177.300 -0.265 0.000 1.271 394 P CA -1.526 61.322 63.100 -0.420 0.000 0.795 394 P CB -0.300 31.101 31.700 -0.499 0.000 1.101 395 P HA 0.115 nan 4.420 nan 0.000 0.271 395 P C -0.701 176.517 177.300 -0.137 0.000 1.220 395 P CA 0.263 63.272 63.100 -0.152 0.000 0.768 395 P CB 0.464 32.090 31.700 -0.123 0.000 0.848 396 V N 3.835 123.671 119.914 -0.130 0.000 3.007 396 V HA 0.406 4.533 4.120 0.012 0.000 0.311 396 V C 0.111 176.134 176.094 -0.119 0.000 1.120 396 V CA -0.932 61.298 62.300 -0.118 0.000 0.980 396 V CB 1.942 33.696 31.823 -0.114 0.000 1.033 396 V HN 0.372 nan 8.190 nan 0.000 0.429 397 I N 0.608 121.103 120.570 -0.125 0.000 2.330 397 I HA 0.667 4.844 4.170 0.012 0.000 0.289 397 I C 0.523 176.544 176.117 -0.159 0.000 1.001 397 I CA -0.115 61.098 61.300 -0.146 0.000 1.193 397 I CB 0.934 38.836 38.000 -0.163 0.000 1.345 397 I HN 0.475 nan 8.210 nan 0.000 0.461 398 R N 2.568 122.985 120.500 -0.139 0.000 1.950 398 R HA 0.286 4.633 4.340 0.012 0.000 0.197 398 R C 0.068 176.288 176.300 -0.133 0.000 1.471 398 R CA -0.032 55.994 56.100 -0.122 0.000 1.156 398 R CB -0.085 30.160 30.300 -0.093 0.000 0.905 398 R HN 0.608 nan 8.270 nan 0.000 0.489 399 Q N 1.177 120.913 119.800 -0.107 0.000 2.369 399 Q HA 0.338 4.686 4.340 0.012 0.000 0.247 399 Q C -1.078 174.864 176.000 -0.097 0.000 1.083 399 Q CA -0.026 55.725 55.803 -0.088 0.000 0.905 399 Q CB 1.541 30.246 28.738 -0.055 0.000 1.305 399 Q HN 0.288 nan 8.270 nan 0.000 0.465 400 A N 3.116 125.848 122.820 -0.146 0.000 2.374 400 A HA 0.668 4.995 4.320 0.012 0.000 0.317 400 A C -0.391 177.172 177.584 -0.036 0.000 1.094 400 A CA -0.839 51.102 52.037 -0.160 0.000 0.765 400 A CB 0.673 19.320 19.000 -0.589 0.000 1.268 400 A HN 0.644 nan 8.150 nan 0.000 0.438 401 F N 0.827 120.842 119.950 0.109 0.000 2.545 401 F HA 0.479 5.013 4.527 0.012 0.000 0.348 401 F C 0.448 176.392 175.800 0.240 0.000 1.163 401 F CA -0.317 57.785 58.000 0.169 0.000 1.331 401 F CB 0.355 39.489 39.000 0.222 0.000 1.138 401 F HN 0.755 nan 8.300 nan 0.000 0.602 402 Q N 0.808 120.702 119.800 0.156 0.000 2.418 402 Q HA 0.373 4.721 4.340 0.012 0.000 0.276 402 Q C -0.966 175.113 176.000 0.130 0.000 1.081 402 Q CA -1.241 54.593 55.803 0.051 0.000 0.864 402 Q CB 1.396 30.161 28.738 0.045 0.000 1.384 402 Q HN 0.829 nan 8.270 nan 0.000 0.467 403 E N 0.248 120.487 120.200 0.065 0.000 2.437 403 E HA -0.025 4.332 4.350 0.012 0.000 0.263 403 E C -0.976 175.666 176.600 0.069 0.000 1.030 403 E CA 0.230 56.676 56.400 0.077 0.000 0.934 403 E CB 0.685 30.406 29.700 0.034 0.000 0.943 403 E HN 0.547 nan 8.360 nan 0.000 0.444 404 E N 1.719 121.948 120.200 0.050 0.000 2.412 404 E HA 0.363 4.720 4.350 0.012 0.000 0.279 404 E C -1.675 174.884 176.600 -0.068 0.000 0.984 404 E CA -0.738 55.663 56.400 0.001 0.000 0.788 404 E CB 2.112 31.824 29.700 0.020 0.000 1.277 404 E HN 0.531 nan 8.360 nan 0.000 0.455 405 T N 3.155 117.642 114.554 -0.111 0.000 2.900 405 T HA 0.682 5.040 4.350 0.012 0.000 0.295 405 T C -0.670 173.998 174.700 -0.053 0.000 1.044 405 T CA -0.699 61.278 62.100 -0.206 0.000 0.995 405 T CB 1.140 69.717 68.868 -0.484 0.000 1.072 405 T HN 0.577 nan 8.240 nan 0.000 0.473 406 M N 0.528 120.144 119.600 0.028 0.000 2.949 406 M HA 0.608 5.095 4.480 0.012 0.000 0.270 406 M C -1.820 174.645 176.300 0.275 0.000 1.221 406 M CA -1.074 54.304 55.300 0.130 0.000 0.818 406 M CB 2.038 34.646 32.600 0.014 0.000 1.635 406 M HN 0.582 nan 8.290 nan 0.000 0.492 407 E N 1.085 121.372 120.200 0.144 0.000 2.248 407 E HA 0.731 5.089 4.350 0.012 0.000 0.272 407 E C -2.775 173.836 176.600 0.017 0.000 1.008 407 E CA -1.916 54.542 56.400 0.097 0.000 0.856 407 E CB 1.327 30.997 29.700 -0.051 0.000 1.120 407 E HN 0.458 nan 8.360 nan 0.000 0.397 408 P HA 0.140 nan 4.420 nan 0.000 0.272 408 P C 0.464 177.709 177.300 -0.092 0.000 1.230 408 P CA 0.641 63.706 63.100 -0.060 0.000 0.788 408 P CB 1.194 32.835 31.700 -0.097 0.000 0.949 409 G N 0.577 109.311 108.800 -0.110 0.000 2.793 409 G HA2 -0.092 3.875 3.960 0.012 0.000 0.197 409 G HA3 -0.092 3.875 3.960 0.012 0.000 0.197 409 G C -2.534 172.308 174.900 -0.097 0.000 2.112 409 G CA -0.229 44.808 45.100 -0.104 0.000 1.556 409 G HN 0.608 nan 8.290 nan 0.000 0.534 410 P HA 0.419 nan 4.420 nan 0.000 0.270 410 P C -0.151 177.029 177.300 -0.200 0.000 1.223 410 P CA 0.402 63.429 63.100 -0.121 0.000 0.785 410 P CB 0.976 32.611 31.700 -0.107 0.000 0.923 411 S N 0.069 115.615 115.700 -0.257 0.000 2.545 411 S HA 0.309 4.786 4.470 0.012 0.000 0.275 411 S C 0.193 174.294 174.600 -0.832 0.000 1.299 411 S CA -0.556 57.348 58.200 -0.493 0.000 1.048 411 S CB 0.438 63.400 63.200 -0.396 0.000 0.938 411 S HN 0.223 nan 8.310 nan 0.000 0.496 412 V N 3.617 122.973 119.914 -0.929 0.000 2.555 412 V HA 0.529 4.656 4.120 0.012 0.000 0.302 412 V C -1.226 174.291 176.094 -0.962 0.000 1.038 412 V CA -0.657 61.151 62.300 -0.820 0.000 0.887 412 V CB 1.175 32.700 31.823 -0.497 0.000 0.991 412 V HN 0.787 nan 8.190 nan 0.000 0.434 413 F N 4.690 124.565 119.950 -0.125 0.000 2.532 413 F HA 0.558 5.092 4.527 0.012 0.000 0.365 413 F C -0.137 175.658 175.800 -0.008 0.000 1.112 413 F CA -0.688 57.275 58.000 -0.061 0.000 1.082 413 F CB 0.943 39.933 39.000 -0.015 0.000 1.319 413 F HN 0.146 nan 8.300 nan 0.000 0.457 414 L N 3.412 124.610 121.223 -0.041 0.000 2.312 414 L HA 0.526 4.873 4.340 0.012 0.000 0.281 414 L C 0.013 176.932 176.870 0.082 0.000 1.070 414 L CA -0.614 54.132 54.840 -0.155 0.000 0.805 414 L CB 1.585 43.186 42.059 -0.764 0.000 1.174 414 L HN 0.505 nan 8.230 nan 0.000 0.434 415 K N 2.305 122.820 120.400 0.193 0.000 2.376 415 K HA 0.479 4.806 4.320 0.012 0.000 0.257 415 K C -1.713 175.033 176.600 0.243 0.000 0.939 415 K CA -0.483 55.781 56.287 -0.038 0.000 0.809 415 K CB 1.890 34.139 32.500 -0.418 0.000 1.121 415 K HN 0.614 nan 8.250 nan 0.000 0.425 416 c N 4.441 123.166 118.600 0.208 0.000 2.291 416 c HA 0.361 4.939 4.570 0.012 0.000 0.322 416 c C -0.446 173.590 174.090 -0.088 0.000 1.205 416 c CA -0.705 55.653 56.329 0.049 0.000 1.495 416 c CB 0.468 42.913 42.510 -0.108 0.000 2.127 416 c HN 0.513 nan 8.230 nan 0.000 0.452 417 V N 4.815 124.659 119.914 -0.118 0.000 2.334 417 V HA 0.586 4.713 4.120 0.012 0.000 0.267 417 V C 0.598 176.615 176.094 -0.129 0.000 1.040 417 V CA 0.088 62.303 62.300 -0.142 0.000 0.866 417 V CB 0.930 32.675 31.823 -0.130 0.000 1.019 417 V HN 0.952 nan 8.190 nan 0.000 0.468 418 A N 4.338 127.079 122.820 -0.131 0.000 2.324 418 A HA 0.926 5.253 4.320 0.012 0.000 0.330 418 A C 0.323 177.839 177.584 -0.113 0.000 1.165 418 A CA -0.064 51.898 52.037 -0.124 0.000 0.813 418 A CB 1.482 20.405 19.000 -0.129 0.000 1.197 418 A HN 0.892 nan 8.150 nan 0.000 0.484 419 G N -0.610 108.125 108.800 -0.109 0.000 2.568 419 G HA2 0.853 4.821 3.960 0.012 0.000 0.313 419 G HA3 0.853 4.821 3.960 0.012 0.000 0.313 419 G C -0.088 174.742 174.900 -0.117 0.000 1.227 419 G CA -0.421 44.617 45.100 -0.102 0.000 0.979 419 G HN 1.960 nan 8.290 nan 0.000 0.486 420 G N -0.929 107.798 108.800 -0.122 0.000 2.356 420 G HA2 0.322 4.290 3.960 0.012 0.000 0.300 420 G HA3 0.322 4.290 3.960 0.012 0.000 0.300 420 G C -1.849 172.951 174.900 -0.167 0.000 1.331 420 G CA -0.762 44.245 45.100 -0.155 0.000 0.905 420 G HN 0.795 nan 8.290 nan 0.000 0.587 421 N N 1.150 119.712 118.700 -0.230 0.000 2.549 421 N HA 0.497 5.245 4.740 0.012 0.000 0.281 421 N C -2.875 172.350 175.510 -0.476 0.000 1.084 421 N CA -1.151 51.733 53.050 -0.277 0.000 0.862 421 N CB 2.960 41.307 38.487 -0.233 0.000 1.333 421 N HN 0.244 nan 8.380 nan 0.000 0.523 422 P HA 0.134 nan 4.420 nan 0.000 0.275 422 P C -0.417 176.787 177.300 -0.160 0.000 1.266 422 P CA -0.103 62.863 63.100 -0.223 0.000 0.793 422 P CB 0.427 32.028 31.700 -0.165 0.000 1.074 423 T N 2.684 117.174 114.554 -0.107 0.000 2.784 423 T HA 0.235 4.592 4.350 0.012 0.000 0.291 423 T C -1.923 172.731 174.700 -0.078 0.000 0.942 423 T CA -0.369 61.680 62.100 -0.085 0.000 1.161 423 T CB -0.678 68.157 68.868 -0.055 0.000 0.885 423 T HN 0.364 nan 8.240 nan 0.000 0.534 424 P HA 0.328 nan 4.420 nan 0.000 0.278 424 P C -0.289 176.976 177.300 -0.059 0.000 1.266 424 P CA -0.723 62.331 63.100 -0.076 0.000 0.807 424 P CB 0.817 32.462 31.700 -0.091 0.000 1.094 425 E N 0.133 120.304 120.200 -0.047 0.000 2.216 425 E HA 0.400 4.757 4.350 0.012 0.000 0.279 425 E C -0.383 176.185 176.600 -0.054 0.000 0.997 425 E CA -0.546 55.834 56.400 -0.033 0.000 0.817 425 E CB 0.995 30.686 29.700 -0.014 0.000 1.096 425 E HN 0.342 nan 8.360 nan 0.000 0.393 426 I N 2.874 123.413 120.570 -0.052 0.000 2.330 426 I HA 0.098 4.276 4.170 0.012 0.000 0.289 426 I C 0.086 176.158 176.117 -0.075 0.000 1.001 426 I CA -0.373 60.861 61.300 -0.109 0.000 1.193 426 I CB 1.215 39.128 38.000 -0.145 0.000 1.345 426 I HN 0.435 nan 8.210 nan 0.000 0.461 427 S N 4.811 120.446 115.700 -0.107 0.000 2.549 427 S HA 0.580 5.057 4.470 0.012 0.000 0.297 427 S C -1.227 173.313 174.600 -0.099 0.000 1.115 427 S CA -0.703 57.489 58.200 -0.014 0.000 1.059 427 S CB 1.338 64.543 63.200 0.008 0.000 1.046 427 S HN 0.440 nan 8.310 nan 0.000 0.506 428 W N 0.800 122.129 121.300 0.048 0.000 2.551 428 W HA 0.593 5.260 4.660 0.012 0.000 0.330 428 W C 0.420 176.958 176.519 0.032 0.000 1.063 428 W CA -0.412 56.973 57.345 0.068 0.000 1.222 428 W CB 1.320 30.835 29.460 0.091 0.000 1.349 428 W HN 0.678 nan 8.180 nan 0.000 0.536 429 E N 2.324 122.686 120.200 0.272 0.000 2.317 429 E HA 0.508 4.865 4.350 0.012 0.000 0.270 429 E C -1.705 174.929 176.600 0.057 0.000 0.885 429 E CA -1.266 55.202 56.400 0.114 0.000 0.760 429 E CB 2.769 32.498 29.700 0.049 0.000 1.227 429 E HN 0.391 nan 8.360 nan 0.000 0.434 430 L N 2.665 123.830 121.223 -0.096 0.000 2.372 430 L HA 0.326 4.674 4.340 0.012 0.000 0.273 430 L C -1.137 175.634 176.870 -0.165 0.000 0.989 430 L CA -0.154 54.513 54.840 -0.288 0.000 0.841 430 L CB 0.750 42.490 42.059 -0.532 0.000 1.225 430 L HN 0.589 nan 8.230 nan 0.000 0.414 431 D N 4.244 124.579 120.400 -0.109 0.000 2.737 431 D HA -0.194 4.453 4.640 0.012 0.000 0.233 431 D C 1.098 177.381 176.300 -0.028 0.000 1.155 431 D CA 1.701 55.673 54.000 -0.046 0.000 0.667 431 D CB -0.810 39.967 40.800 -0.038 0.000 1.060 431 D HN 1.154 nan 8.370 nan 0.000 0.427 432 G N -0.710 108.073 108.800 -0.027 0.000 2.217 432 G HA2 -0.388 3.579 3.960 0.012 0.000 0.246 432 G HA3 -0.388 3.579 3.960 0.012 0.000 0.246 432 G C 0.380 175.267 174.900 -0.022 0.000 0.990 432 G CA 0.384 45.474 45.100 -0.018 0.000 0.627 432 G HN 0.589 nan 8.290 nan 0.000 0.522 433 K N 1.304 121.681 120.400 -0.039 0.000 2.201 433 K HA 0.476 4.803 4.320 0.012 0.000 0.278 433 K C 0.061 176.634 176.600 -0.045 0.000 1.027 433 K CA -0.642 55.618 56.287 -0.045 0.000 0.909 433 K CB 0.366 32.828 32.500 -0.063 0.000 1.062 433 K HN 0.177 nan 8.250 nan 0.000 0.465 434 K N 4.700 125.085 120.400 -0.025 0.000 2.312 434 K HA 0.156 4.483 4.320 0.012 0.000 0.287 434 K C -0.269 176.310 176.600 -0.035 0.000 1.062 434 K CA -0.490 55.794 56.287 -0.004 0.000 0.934 434 K CB 0.216 32.723 32.500 0.012 0.000 1.027 434 K HN 0.390 nan 8.250 nan 0.000 0.478 435 I N 0.379 120.922 120.570 -0.044 0.000 2.493 435 I HA 0.627 4.804 4.170 0.012 0.000 0.298 435 I C 0.040 176.135 176.117 -0.038 0.000 0.998 435 I CA -0.671 60.555 61.300 -0.123 0.000 1.137 435 I CB 1.736 39.528 38.000 -0.347 0.000 1.310 435 I HN 0.573 nan 8.210 nan 0.000 0.445 436 A N 3.474 126.269 122.820 -0.041 0.000 3.540 436 A HA 0.593 4.920 4.320 0.012 0.000 0.180 436 A C 0.033 177.633 177.584 0.027 0.000 1.231 436 A CA -0.651 51.397 52.037 0.019 0.000 0.873 436 A CB 0.174 19.188 19.000 0.023 0.000 1.548 436 A HN 0.682 nan 8.150 nan 0.000 0.570 437 N N 2.092 120.817 118.700 0.043 0.000 3.127 437 N HA 0.094 4.841 4.740 0.012 0.000 0.317 437 N C -1.080 174.456 175.510 0.043 0.000 1.242 437 N CA 0.329 53.411 53.050 0.053 0.000 1.203 437 N CB -0.962 37.553 38.487 0.046 0.000 1.462 437 N HN 0.456 nan 8.380 nan 0.000 0.546 438 N N 0.329 119.054 118.700 0.041 0.000 2.417 438 N HA 0.187 4.934 4.740 0.012 0.000 0.300 438 N C 0.301 175.861 175.510 0.083 0.000 1.102 438 N CA -0.754 52.311 53.050 0.024 0.000 0.886 438 N CB 1.539 40.001 38.487 -0.042 0.000 1.203 438 N HN 0.045 nan 8.380 nan 0.000 0.496 439 D N 0.574 121.007 120.400 0.055 0.000 3.996 439 D HA -0.289 4.358 4.640 0.012 0.000 0.140 439 D C 0.072 176.406 176.300 0.057 0.000 0.829 439 D CA 1.831 55.865 54.000 0.057 0.000 1.111 439 D CB -0.235 40.616 40.800 0.085 0.000 0.516 439 D HN 0.776 nan 8.370 nan 0.000 0.517 440 R N -0.624 119.915 120.500 0.065 0.000 2.613 440 R HA 0.352 4.699 4.340 0.012 0.000 0.361 440 R C -0.262 176.000 176.300 -0.063 0.000 1.072 440 R CA -0.283 55.803 56.100 -0.023 0.000 1.089 440 R CB -0.158 30.080 30.300 -0.102 0.000 1.343 440 R HN 0.193 nan 8.270 nan 0.000 0.571 441 Y N 2.013 122.278 120.300 -0.059 0.000 2.336 441 Y HA 0.223 4.781 4.550 0.012 0.000 0.335 441 Y C 0.413 176.284 175.900 -0.049 0.000 1.046 441 Y CA -0.302 57.761 58.100 -0.062 0.000 1.198 441 Y CB 1.081 39.512 38.460 -0.048 0.000 1.182 441 Y HN 0.014 nan 8.280 nan 0.000 0.502 442 Q N 2.694 122.528 119.800 0.057 0.000 2.333 442 Q HA 0.654 5.002 4.340 0.012 0.000 0.267 442 Q C -1.414 174.599 176.000 0.022 0.000 1.012 442 Q CA -0.996 54.832 55.803 0.041 0.000 0.824 442 Q CB 2.760 31.510 28.738 0.021 0.000 1.290 442 Q HN 0.400 nan 8.270 nan 0.000 0.449 443 V N 1.384 121.322 119.914 0.041 0.000 2.531 443 V HA 0.791 4.918 4.120 0.012 0.000 0.301 443 V C 0.036 176.193 176.094 0.105 0.000 1.034 443 V CA -0.635 61.686 62.300 0.036 0.000 0.865 443 V CB 1.748 33.606 31.823 0.059 0.000 0.995 443 V HN 0.881 nan 8.190 nan 0.000 0.424 444 G N 2.979 111.872 108.800 0.155 0.000 2.630 444 G HA2 0.750 4.717 3.960 0.012 0.000 0.296 444 G HA3 0.750 4.717 3.960 0.012 0.000 0.296 444 G C -1.376 173.659 174.900 0.226 0.000 1.285 444 G CA -0.554 44.660 45.100 0.190 0.000 0.958 444 G HN 0.656 nan 8.290 nan 0.000 0.479 445 Q N -0.360 119.558 119.800 0.197 0.000 2.380 445 Q HA 0.404 4.751 4.340 0.012 0.000 0.245 445 Q C -1.997 174.096 176.000 0.154 0.000 0.893 445 Q CA -0.813 55.066 55.803 0.126 0.000 0.922 445 Q CB 1.456 30.258 28.738 0.107 0.000 1.432 445 Q HN 0.807 nan 8.270 nan 0.000 0.434 446 Y N 0.432 120.788 120.300 0.092 0.000 2.686 446 Y HA 0.908 5.465 4.550 0.012 0.000 0.330 446 Y C -1.330 174.597 175.900 0.045 0.000 1.082 446 Y CA -1.186 56.951 58.100 0.063 0.000 1.158 446 Y CB 1.243 39.741 38.460 0.062 0.000 1.333 446 Y HN 0.157 nan 8.280 nan 0.000 0.519 447 V N 1.736 121.822 119.914 0.286 0.000 2.495 447 V HA 0.403 4.530 4.120 0.012 0.000 0.298 447 V C -0.044 176.205 176.094 0.260 0.000 1.031 447 V CA -0.584 61.804 62.300 0.147 0.000 0.871 447 V CB 1.505 33.378 31.823 0.083 0.000 0.988 447 V HN 1.020 nan 8.190 nan 0.000 0.432 448 T N 1.369 116.024 114.554 0.168 0.000 2.828 448 T HA 0.290 4.648 4.350 0.012 0.000 0.290 448 T C 1.323 176.079 174.700 0.094 0.000 1.019 448 T CA -0.448 61.758 62.100 0.176 0.000 1.031 448 T CB 1.316 70.253 68.868 0.115 0.000 1.001 448 T HN 0.244 nan 8.240 nan 0.000 0.531 449 V N 1.843 121.803 119.914 0.076 0.000 2.453 449 V HA -0.202 3.926 4.120 0.012 0.000 0.252 449 V C 2.300 178.411 176.094 0.028 0.000 1.068 449 V CA 1.969 64.295 62.300 0.043 0.000 1.070 449 V CB -1.091 30.751 31.823 0.032 0.000 0.664 449 V HN 0.790 nan 8.190 nan 0.000 0.461 450 N N 0.209 118.924 118.700 0.025 0.000 2.457 450 N HA 0.097 4.845 4.740 0.012 0.000 0.180 450 N C 1.487 176.996 175.510 -0.001 0.000 1.050 450 N CA 1.122 54.177 53.050 0.009 0.000 0.906 450 N CB 0.274 38.763 38.487 0.004 0.000 0.968 450 N HN 0.603 nan 8.380 nan 0.000 0.445 451 G N 0.164 108.966 108.800 0.003 0.000 2.135 451 G HA2 -0.189 3.778 3.960 0.012 0.000 0.183 451 G HA3 -0.189 3.778 3.960 0.012 0.000 0.183 451 G C -1.002 173.880 174.900 -0.030 0.000 1.004 451 G CA -0.351 44.742 45.100 -0.011 0.000 0.677 451 G HN 0.226 nan 8.290 nan 0.000 0.512 452 D N -0.309 120.073 120.400 -0.029 0.000 2.181 452 D HA 0.559 5.206 4.640 0.012 0.000 0.248 452 D C 0.265 176.518 176.300 -0.077 0.000 1.020 452 D CA -0.381 53.584 54.000 -0.058 0.000 0.891 452 D CB 2.086 42.850 40.800 -0.060 0.000 1.187 452 D HN 0.056 nan 8.370 nan 0.000 0.443 453 V N 2.279 122.130 119.914 -0.105 0.000 2.432 453 V HA 0.171 4.298 4.120 0.012 0.000 0.271 453 V C -0.105 175.857 176.094 -0.219 0.000 1.046 453 V CA -0.444 61.771 62.300 -0.142 0.000 0.945 453 V CB 1.472 33.232 31.823 -0.104 0.000 0.992 453 V HN 0.263 nan 8.190 nan 0.000 0.471 454 V N 5.501 125.174 119.914 -0.402 0.000 2.311 454 V HA 0.353 4.480 4.120 0.012 0.000 0.275 454 V C 0.287 176.144 176.094 -0.394 0.000 1.022 454 V CA -0.044 61.957 62.300 -0.499 0.000 0.830 454 V CB 1.460 32.769 31.823 -0.857 0.000 1.012 454 V HN 0.837 nan 8.190 nan 0.000 0.452 455 S N 5.142 120.746 115.700 -0.160 0.000 2.449 455 S HA 0.704 5.182 4.470 0.012 0.000 0.310 455 S C -1.160 173.557 174.600 0.196 0.000 1.096 455 S CA -0.363 57.890 58.200 0.087 0.000 1.095 455 S CB 0.648 63.964 63.200 0.193 0.000 1.007 455 S HN 0.495 nan 8.310 nan 0.000 0.474 456 Y N 3.101 123.542 120.300 0.235 0.000 2.420 456 Y HA 0.646 5.203 4.550 0.012 0.000 0.334 456 Y C -0.292 175.551 175.900 -0.095 0.000 1.094 456 Y CA -0.934 57.248 58.100 0.137 0.000 1.126 456 Y CB 1.729 40.237 38.460 0.079 0.000 1.217 456 Y HN 0.576 nan 8.280 nan 0.000 0.462 457 L N 5.089 126.149 121.223 -0.272 0.000 2.353 457 L HA 0.543 4.891 4.340 0.012 0.000 0.270 457 L C -1.651 175.041 176.870 -0.296 0.000 1.003 457 L CA -0.863 53.578 54.840 -0.666 0.000 0.862 457 L CB 0.237 41.245 42.059 -1.753 0.000 1.221 457 L HN 0.511 nan 8.230 nan 0.000 0.430 458 N N 5.620 124.254 118.700 -0.110 0.000 2.422 458 N HA 0.440 5.188 4.740 0.012 0.000 0.266 458 N C -0.781 174.612 175.510 -0.196 0.000 1.007 458 N CA -0.093 52.941 53.050 -0.026 0.000 0.941 458 N CB 2.201 40.771 38.487 0.137 0.000 1.115 458 N HN 0.654 nan 8.380 nan 0.000 0.492 459 I N 1.569 121.917 120.570 -0.370 0.000 2.339 459 I HA 0.123 4.301 4.170 0.012 0.000 0.290 459 I C 1.073 176.955 176.117 -0.392 0.000 0.994 459 I CA -0.154 60.845 61.300 -0.501 0.000 1.191 459 I CB 0.944 38.548 38.000 -0.660 0.000 1.343 459 I HN 0.504 nan 8.210 nan 0.000 0.458 460 T N 3.647 118.034 114.554 -0.279 0.000 2.684 460 T HA -0.148 4.210 4.350 0.012 0.000 0.267 460 T C 0.764 175.365 174.700 -0.165 0.000 1.036 460 T CA 1.489 63.489 62.100 -0.166 0.000 1.148 460 T CB -0.101 68.705 68.868 -0.104 0.000 0.863 460 T HN 0.565 nan 8.240 nan 0.000 0.436 461 S N 0.845 116.454 115.700 -0.151 0.000 2.385 461 S HA 0.320 4.797 4.470 0.012 0.000 0.191 461 S C -0.591 174.000 174.600 -0.015 0.000 1.196 461 S CA -0.726 57.426 58.200 -0.080 0.000 1.178 461 S CB 0.656 63.858 63.200 0.003 0.000 1.258 461 S HN 0.261 nan 8.310 nan 0.000 0.430 462 V N 5.543 125.385 119.914 -0.120 0.000 2.625 462 V HA 0.151 4.278 4.120 0.012 0.000 0.305 462 V C -0.148 175.973 176.094 0.044 0.000 1.055 462 V CA 1.126 63.376 62.300 -0.084 0.000 1.209 462 V CB -0.174 31.568 31.823 -0.136 0.000 0.877 462 V HN 0.896 nan 8.190 nan 0.000 0.489 463 H N 4.893 123.908 119.070 -0.092 0.000 2.508 463 H HA 0.630 5.193 4.556 0.012 0.000 0.344 463 H C 1.080 176.379 175.328 -0.048 0.000 1.192 463 H CA 0.109 56.117 56.048 -0.067 0.000 1.290 463 H CB 1.648 31.372 29.762 -0.063 0.000 1.571 463 H HN 0.803 nan 8.280 nan 0.000 0.555 464 A N 2.209 125.017 122.820 -0.020 0.000 1.957 464 A HA -0.353 3.975 4.320 0.012 0.000 0.224 464 A C 1.060 178.642 177.584 -0.003 0.000 1.287 464 A CA 2.708 54.724 52.037 -0.035 0.000 0.682 464 A CB -0.859 18.085 19.000 -0.094 0.000 0.833 464 A HN 0.902 nan 8.150 nan 0.000 0.482 465 N N -2.183 116.505 118.700 -0.020 0.000 2.497 465 N HA 0.258 5.006 4.740 0.012 0.000 0.284 465 N C -0.352 175.217 175.510 0.099 0.000 1.459 465 N CA 0.182 53.231 53.050 -0.003 0.000 0.899 465 N CB 0.631 38.966 38.487 -0.253 0.000 1.316 465 N HN 0.200 nan 8.380 nan 0.000 0.500 466 D N 0.219 120.708 120.400 0.147 0.000 2.289 466 D HA 0.041 4.688 4.640 0.012 0.000 0.207 466 D C 0.991 177.483 176.300 0.319 0.000 0.966 466 D CA 0.471 54.622 54.000 0.252 0.000 0.868 466 D CB -0.228 40.708 40.800 0.226 0.000 0.943 466 D HN 0.495 nan 8.370 nan 0.000 0.514 467 G N -0.558 108.383 108.800 0.235 0.000 2.554 467 G HA2 0.434 4.402 3.960 0.012 0.000 0.238 467 G HA3 0.434 4.402 3.960 0.012 0.000 0.238 467 G C 0.516 175.562 174.900 0.244 0.000 1.259 467 G CA 0.421 45.676 45.100 0.259 0.000 0.843 467 G HN 0.353 nan 8.290 nan 0.000 0.582 468 G N -0.318 108.648 108.800 0.275 0.000 2.452 468 G HA2 0.424 4.391 3.960 0.012 0.000 0.224 468 G HA3 0.424 4.391 3.960 0.012 0.000 0.224 468 G C -1.650 173.379 174.900 0.215 0.000 1.208 468 G CA -0.404 44.797 45.100 0.169 0.000 0.946 468 G HN 1.257 nan 8.290 nan 0.000 0.481 469 L N 1.408 122.701 121.223 0.117 0.000 2.264 469 L HA 0.759 5.107 4.340 0.012 0.000 0.287 469 L C -1.268 175.684 176.870 0.136 0.000 1.039 469 L CA -1.411 53.521 54.840 0.153 0.000 0.829 469 L CB -0.108 41.999 42.059 0.080 0.000 1.211 469 L HN 0.430 nan 8.230 nan 0.000 0.427 470 Y N 4.519 124.945 120.300 0.210 0.000 2.310 470 Y HA 0.568 5.125 4.550 0.012 0.000 0.326 470 Y C 0.302 176.428 175.900 0.376 0.000 1.151 470 Y CA -0.203 58.075 58.100 0.297 0.000 1.195 470 Y CB 1.188 39.824 38.460 0.294 0.000 1.210 470 Y HN 0.573 nan 8.280 nan 0.000 0.483 471 K N 1.796 122.457 120.400 0.435 0.000 2.523 471 K HA 0.723 5.050 4.320 0.012 0.000 0.257 471 K C -1.452 175.215 176.600 0.113 0.000 0.932 471 K CA -0.877 55.567 56.287 0.262 0.000 0.812 471 K CB 1.238 33.772 32.500 0.057 0.000 1.326 471 K HN 0.716 nan 8.250 nan 0.000 0.433 472 c N 1.837 120.358 118.600 -0.131 0.000 2.365 472 c HA 0.740 5.318 4.570 0.012 0.000 0.351 472 c C 0.064 173.983 174.090 -0.284 0.000 1.240 472 c CA -0.855 55.130 56.329 -0.573 0.000 2.062 472 c CB -0.772 41.113 42.510 -1.042 0.000 2.387 472 c HN 0.807 nan 8.230 nan 0.000 0.537 473 I N 3.511 123.918 120.570 -0.272 0.000 2.390 473 I HA 0.412 4.590 4.170 0.012 0.000 0.283 473 I C 0.613 176.636 176.117 -0.157 0.000 1.016 473 I CA -0.323 60.883 61.300 -0.155 0.000 1.151 473 I CB 1.297 39.240 38.000 -0.096 0.000 1.293 473 I HN 0.930 nan 8.210 nan 0.000 0.458 474 A N 7.349 130.087 122.820 -0.137 0.000 2.527 474 A HA 0.267 4.595 4.320 0.012 0.000 0.313 474 A C 0.037 177.567 177.584 -0.090 0.000 1.410 474 A CA -0.261 51.703 52.037 -0.121 0.000 1.060 474 A CB 0.003 18.929 19.000 -0.122 0.000 1.137 474 A HN 0.597 nan 8.150 nan 0.000 0.542 475 K N 2.159 122.514 120.400 -0.076 0.000 2.185 475 K HA 0.489 4.816 4.320 0.012 0.000 0.269 475 K C -0.720 175.848 176.600 -0.053 0.000 0.987 475 K CA -0.018 56.236 56.287 -0.055 0.000 0.865 475 K CB 1.313 33.789 32.500 -0.040 0.000 1.090 475 K HN 0.570 nan 8.250 nan 0.000 0.450 476 S N 2.591 118.260 115.700 -0.051 0.000 2.568 476 S HA 0.270 4.747 4.470 0.012 0.000 0.293 476 S C 0.494 175.081 174.600 -0.023 0.000 1.089 476 S CA -0.761 57.408 58.200 -0.052 0.000 0.945 476 S CB 1.099 64.246 63.200 -0.087 0.000 1.077 476 S HN 0.667 nan 8.310 nan 0.000 0.485 477 K N 1.703 122.097 120.400 -0.011 0.000 2.589 477 K HA 0.126 4.453 4.320 0.012 0.000 0.192 477 K C 0.719 177.354 176.600 0.059 0.000 1.029 477 K CA 0.598 56.898 56.287 0.022 0.000 1.031 477 K CB -0.032 32.486 32.500 0.030 0.000 0.821 477 K HN 0.293 nan 8.250 nan 0.000 0.502 478 V N 0.283 120.222 119.914 0.040 0.000 3.319 478 V HA 0.336 4.464 4.120 0.012 0.000 0.317 478 V C 0.159 176.307 176.094 0.091 0.000 1.411 478 V CA 0.641 63.008 62.300 0.112 0.000 1.112 478 V CB 0.099 31.948 31.823 0.042 0.000 1.031 478 V HN 0.697 nan 8.190 nan 0.000 0.448 479 G N -0.692 108.132 108.800 0.041 0.000 2.347 479 G HA2 0.249 4.216 3.960 0.012 0.000 0.477 479 G HA3 0.249 4.216 3.960 0.012 0.000 0.477 479 G C -1.647 173.244 174.900 -0.015 0.000 1.349 479 G CA 0.002 45.120 45.100 0.029 0.000 1.000 479 G HN 0.654 nan 8.290 nan 0.000 0.605 480 V N -0.429 119.475 119.914 -0.017 0.000 3.001 480 V HA 1.026 5.153 4.120 0.012 0.000 0.314 480 V C -0.204 175.864 176.094 -0.045 0.000 1.099 480 V CA 0.352 62.632 62.300 -0.035 0.000 0.989 480 V CB 1.926 33.734 31.823 -0.024 0.000 1.040 480 V HN 2.721 nan 8.190 nan 0.000 0.434 481 A N 4.148 126.934 122.820 -0.058 0.000 2.491 481 A HA 0.755 5.082 4.320 0.012 0.000 0.293 481 A C -0.989 176.558 177.584 -0.062 0.000 1.047 481 A CA -0.349 51.653 52.037 -0.059 0.000 0.735 481 A CB 1.461 20.418 19.000 -0.073 0.000 1.281 481 A HN 1.011 nan 8.150 nan 0.000 0.398 482 E N 1.416 121.588 120.200 -0.047 0.000 2.299 482 E HA 0.716 5.074 4.350 0.012 0.000 0.265 482 E C -1.260 175.341 176.600 0.001 0.000 0.911 482 E CA -0.787 55.586 56.400 -0.045 0.000 0.789 482 E CB 1.973 31.642 29.700 -0.051 0.000 1.246 482 E HN 0.764 nan 8.360 nan 0.000 0.427 483 H N 0.364 119.359 119.070 -0.126 0.000 2.840 483 H HA 0.409 4.973 4.556 0.012 0.000 0.340 483 H C -1.643 173.610 175.328 -0.126 0.000 1.004 483 H CA -0.382 55.578 56.048 -0.146 0.000 1.288 483 H CB 1.734 31.380 29.762 -0.194 0.000 1.607 483 H HN 0.461 nan 8.280 nan 0.000 0.522 484 S N 2.882 118.204 115.700 -0.630 0.000 2.651 484 S HA 0.963 5.441 4.470 0.012 0.000 0.291 484 S C -0.772 173.425 174.600 -0.672 0.000 1.141 484 S CA -0.066 57.873 58.200 -0.436 0.000 1.027 484 S CB 1.565 64.654 63.200 -0.184 0.000 1.043 484 S HN 0.921 nan 8.310 nan 0.000 0.530 485 A N 1.458 124.134 122.820 -0.240 0.000 2.599 485 A HA 0.620 4.948 4.320 0.012 0.000 0.294 485 A C -1.440 176.269 177.584 0.208 0.000 1.055 485 A CA -0.794 51.163 52.037 -0.133 0.000 0.683 485 A CB 1.139 19.859 19.000 -0.467 0.000 1.278 485 A HN 0.617 nan 8.150 nan 0.000 0.412 486 K N 0.720 121.215 120.400 0.158 0.000 2.183 486 K HA 0.596 4.923 4.320 0.012 0.000 0.274 486 K C -1.603 175.112 176.600 0.190 0.000 1.009 486 K CA -0.589 55.807 56.287 0.182 0.000 0.888 486 K CB 1.115 33.675 32.500 0.100 0.000 1.078 486 K HN 0.607 nan 8.250 nan 0.000 0.459 487 L N 4.640 125.996 121.223 0.222 0.000 2.319 487 L HA 0.412 4.759 4.340 0.012 0.000 0.281 487 L C -1.503 175.420 176.870 0.089 0.000 1.005 487 L CA -0.345 54.557 54.840 0.103 0.000 0.828 487 L CB 1.162 43.208 42.059 -0.020 0.000 1.227 487 L HN 0.522 nan 8.230 nan 0.000 0.415 488 N N 3.795 122.485 118.700 -0.016 0.000 2.421 488 N HA 0.593 5.340 4.740 0.012 0.000 0.285 488 N C -1.236 174.235 175.510 -0.065 0.000 1.027 488 N CA -0.353 52.662 53.050 -0.057 0.000 0.918 488 N CB 2.284 40.606 38.487 -0.275 0.000 1.152 488 N HN 0.323 nan 8.380 nan 0.000 0.485 489 V N 3.007 122.933 119.914 0.020 0.000 2.409 489 V HA 0.268 4.395 4.120 0.012 0.000 0.291 489 V C -0.700 175.457 176.094 0.105 0.000 1.020 489 V CA -0.810 61.526 62.300 0.061 0.000 0.848 489 V CB 0.448 32.313 31.823 0.071 0.000 0.990 489 V HN 0.558 nan 8.190 nan 0.000 0.430 490 Y N 3.548 123.919 120.300 0.117 0.000 2.713 490 Y HA 0.465 5.022 4.550 0.012 0.000 0.341 490 Y C 1.075 177.007 175.900 0.054 0.000 1.167 490 Y CA 1.345 59.532 58.100 0.145 0.000 1.503 490 Y CB 0.477 39.010 38.460 0.121 0.000 1.199 490 Y HN 0.815 nan 8.280 nan 0.000 0.525 491 G N 2.358 111.244 108.800 0.144 0.000 2.523 491 G HA2 0.440 4.407 3.960 0.012 0.000 0.291 491 G HA3 0.440 4.407 3.960 0.012 0.000 0.291 491 G C -1.843 173.063 174.900 0.011 0.000 1.450 491 G CA -1.205 43.925 45.100 0.050 0.000 0.790 491 G HN 0.260 nan 8.290 nan 0.000 0.496 492 L N 1.137 122.329 121.223 -0.051 0.000 2.483 492 L HA 0.321 4.668 4.340 0.012 0.000 0.275 492 L C -1.687 175.202 176.870 0.033 0.000 1.220 492 L CA -0.998 53.797 54.840 -0.075 0.000 0.833 492 L CB -0.050 41.895 42.059 -0.190 0.000 1.102 492 L HN 0.255 nan 8.230 nan 0.000 0.490 493 P HA 0.073 nan 4.420 nan 0.000 0.266 493 P C -1.668 175.729 177.300 0.161 0.000 1.195 493 P CA 0.306 63.461 63.100 0.092 0.000 0.768 493 P CB 0.156 31.898 31.700 0.070 0.000 0.838 494 Y N 3.128 123.429 120.300 0.001 0.000 2.313 494 Y HA 0.453 5.011 4.550 0.012 0.000 0.320 494 Y C -1.379 174.518 175.900 -0.005 0.000 1.171 494 Y CA -0.762 57.339 58.100 0.001 0.000 1.093 494 Y CB 0.960 39.426 38.460 0.011 0.000 1.224 494 Y HN 0.190 nan 8.280 nan 0.000 0.421 495 I N 6.621 126.939 120.570 -0.419 0.000 2.385 495 I HA 0.489 4.666 4.170 0.012 0.000 0.294 495 I C 0.318 176.123 176.117 -0.521 0.000 0.988 495 I CA -0.859 60.239 61.300 -0.336 0.000 1.265 495 I CB 1.315 39.165 38.000 -0.251 0.000 1.388 495 I HN 0.606 nan 8.210 nan 0.000 0.480 496 R N 3.288 123.631 120.500 -0.261 0.000 2.652 496 R HA 0.235 4.582 4.340 0.012 0.000 0.272 496 R C -0.152 176.062 176.300 -0.144 0.000 1.162 496 R CA -0.784 55.212 56.100 -0.173 0.000 1.199 496 R CB 0.380 30.666 30.300 -0.022 0.000 1.166 496 R HN 0.495 nan 8.270 nan 0.000 0.597 497 Q N 0.847 120.603 119.800 -0.074 0.000 2.354 497 Q HA 0.226 4.573 4.340 0.012 0.000 0.244 497 Q C -0.362 175.626 176.000 -0.021 0.000 0.969 497 Q CA 0.492 56.268 55.803 -0.045 0.000 0.885 497 Q CB 1.254 29.980 28.738 -0.020 0.000 1.241 497 Q HN 0.414 nan 8.270 nan 0.000 0.461 498 M N 1.887 121.484 119.600 -0.004 0.000 2.106 498 M HA 0.307 4.794 4.480 0.012 0.000 0.288 498 M C -0.301 176.015 176.300 0.026 0.000 0.941 498 M CA -0.343 54.970 55.300 0.022 0.000 0.934 498 M CB 1.880 34.512 32.600 0.054 0.000 1.551 498 M HN 0.299 nan 8.290 nan 0.000 0.437 499 E N 3.162 123.374 120.200 0.019 0.000 2.398 499 E HA 0.095 4.452 4.350 0.012 0.000 0.263 499 E C -0.293 176.322 176.600 0.024 0.000 1.046 499 E CA -0.275 56.136 56.400 0.018 0.000 0.908 499 E CB 0.792 30.497 29.700 0.010 0.000 0.963 499 E HN 0.499 nan 8.360 nan 0.000 0.431 500 K N 1.771 122.186 120.400 0.025 0.000 2.504 500 K HA -0.061 4.267 4.320 0.012 0.000 0.278 500 K C -0.237 176.375 176.600 0.019 0.000 1.025 500 K CA 0.178 56.483 56.287 0.030 0.000 1.093 500 K CB 0.340 32.857 32.500 0.028 0.000 0.873 500 K HN 0.054 nan 8.250 nan 0.000 0.483 501 K N 3.003 123.413 120.400 0.016 0.000 2.263 501 K HA 0.230 4.558 4.320 0.012 0.000 0.282 501 K C -1.034 175.561 176.600 -0.009 0.000 1.089 501 K CA -0.285 55.998 56.287 -0.006 0.000 0.907 501 K CB 0.827 33.309 32.500 -0.030 0.000 1.148 501 K HN 0.690 nan 8.250 nan 0.000 0.470 502 A N 6.569 129.385 122.820 -0.007 0.000 2.316 502 A HA 0.471 4.798 4.320 0.012 0.000 0.311 502 A C -0.556 177.019 177.584 -0.015 0.000 1.339 502 A CA -0.590 51.444 52.037 -0.006 0.000 0.960 502 A CB -0.159 18.840 19.000 -0.001 0.000 1.152 502 A HN 0.635 nan 8.150 nan 0.000 0.547 503 I N 3.082 123.640 120.570 -0.020 0.000 2.693 503 I HA 0.456 4.633 4.170 0.012 0.000 0.303 503 I C 0.201 176.305 176.117 -0.021 0.000 1.025 503 I CA -0.565 60.718 61.300 -0.027 0.000 1.086 503 I CB 2.000 39.974 38.000 -0.044 0.000 1.268 503 I HN 0.502 nan 8.210 nan 0.000 0.440 504 V N 1.836 121.735 119.914 -0.024 0.000 2.732 504 V HA 0.825 4.952 4.120 0.012 0.000 0.310 504 V C 0.502 176.579 176.094 -0.028 0.000 1.053 504 V CA -1.071 61.214 62.300 -0.024 0.000 0.957 504 V CB 1.315 33.122 31.823 -0.027 0.000 1.018 504 V HN 0.879 nan 8.190 nan 0.000 0.452 505 A N 2.484 125.288 122.820 -0.027 0.000 2.600 505 A HA 0.402 4.729 4.320 0.012 0.000 0.244 505 A C 1.717 179.283 177.584 -0.031 0.000 1.016 505 A CA 1.060 53.081 52.037 -0.027 0.000 0.778 505 A CB -1.209 17.774 19.000 -0.028 0.000 0.920 505 A HN 2.886 nan 8.150 nan 0.000 0.513 506 G N 1.444 110.227 108.800 -0.027 0.000 2.234 506 G HA2 -0.230 3.737 3.960 0.012 0.000 0.260 506 G HA3 -0.230 3.737 3.960 0.012 0.000 0.260 506 G C 0.197 175.079 174.900 -0.029 0.000 0.987 506 G CA 0.530 45.613 45.100 -0.028 0.000 0.625 506 G HN 0.895 nan 8.290 nan 0.000 0.532 507 E N 0.830 121.011 120.200 -0.033 0.000 2.408 507 E HA 0.382 4.739 4.350 0.012 0.000 0.259 507 E C 0.158 176.735 176.600 -0.039 0.000 1.110 507 E CA 0.318 56.698 56.400 -0.034 0.000 0.929 507 E CB 0.430 30.109 29.700 -0.034 0.000 0.971 507 E HN 0.170 nan 8.360 nan 0.000 0.438 508 T N 2.136 116.667 114.554 -0.039 0.000 2.738 508 T HA 0.301 4.658 4.350 0.012 0.000 0.298 508 T C 0.160 174.822 174.700 -0.064 0.000 0.962 508 T CA -0.464 61.607 62.100 -0.047 0.000 0.972 508 T CB 0.013 68.859 68.868 -0.036 0.000 0.928 508 T HN 0.238 nan 8.240 nan 0.000 0.474 509 L N 6.488 127.657 121.223 -0.091 0.000 2.315 509 L HA 0.552 4.899 4.340 0.012 0.000 0.283 509 L C -0.859 175.927 176.870 -0.140 0.000 1.089 509 L CA -0.295 54.471 54.840 -0.124 0.000 0.833 509 L CB -0.022 41.932 42.059 -0.175 0.000 1.170 509 L HN 0.574 nan 8.230 nan 0.000 0.442 510 I N 6.143 126.642 120.570 -0.117 0.000 2.389 510 I HA 0.523 4.700 4.170 0.012 0.000 0.288 510 I C -0.765 175.283 176.117 -0.115 0.000 0.999 510 I CA -0.781 60.451 61.300 -0.114 0.000 1.129 510 I CB 1.734 39.688 38.000 -0.078 0.000 1.288 510 I HN 0.400 nan 8.210 nan 0.000 0.444 511 V N 4.870 124.694 119.914 -0.150 0.000 2.808 511 V HA 0.557 4.684 4.120 0.012 0.000 0.308 511 V C -0.622 175.475 176.094 0.005 0.000 1.099 511 V CA 0.071 62.316 62.300 -0.093 0.000 0.920 511 V CB 2.708 34.431 31.823 -0.167 0.000 1.014 511 V HN 0.830 nan 8.190 nan 0.000 0.425 512 T N 5.067 119.694 114.554 0.121 0.000 2.786 512 T HA 0.224 4.582 4.350 0.012 0.000 0.283 512 T C -0.352 174.523 174.700 0.292 0.000 0.992 512 T CA -0.187 62.038 62.100 0.208 0.000 0.954 512 T CB 0.943 69.875 68.868 0.107 0.000 0.934 512 T HN 0.919 nan 8.240 nan 0.000 0.440 513 c N 8.282 127.130 118.600 0.413 0.000 2.667 513 c HA 0.251 4.828 4.570 0.012 0.000 0.385 513 c C -1.751 172.369 174.090 0.050 0.000 1.299 513 c CA -1.808 54.618 56.329 0.161 0.000 1.554 513 c CB -0.926 41.490 42.510 -0.157 0.000 2.275 513 c HN 0.547 nan 8.230 nan 0.000 0.588 514 P HA 0.156 nan 4.420 nan 0.000 0.263 514 P C 0.069 177.370 177.300 0.001 0.000 1.601 514 P CA 0.446 63.559 63.100 0.021 0.000 1.161 514 P CB 0.046 31.754 31.700 0.013 0.000 1.730 515 V N 1.269 121.194 119.914 0.019 0.000 3.036 515 V HA 0.901 5.028 4.120 0.012 0.000 0.308 515 V C -0.077 176.073 176.094 0.093 0.000 1.070 515 V CA -0.986 61.332 62.300 0.031 0.000 1.056 515 V CB 1.102 32.938 31.823 0.023 0.000 1.084 515 V HN 0.569 nan 8.190 nan 0.000 0.471 516 A N 1.266 124.169 122.820 0.139 0.000 2.572 516 A HA 0.973 5.301 4.320 0.012 0.000 0.295 516 A C 0.095 177.767 177.584 0.146 0.000 1.072 516 A CA -0.258 51.883 52.037 0.173 0.000 0.691 516 A CB 1.213 20.370 19.000 0.261 0.000 1.291 516 A HN 2.870 nan 8.150 nan 0.000 0.404 517 G N -0.835 108.035 108.800 0.116 0.000 2.907 517 G HA2 0.114 4.081 3.960 0.012 0.000 0.686 517 G HA3 0.114 4.081 3.960 0.012 0.000 0.686 517 G C -0.297 174.651 174.900 0.080 0.000 1.115 517 G CA 0.339 45.492 45.100 0.087 0.000 0.760 517 G HN 2.202 nan 8.290 nan 0.000 0.620 518 Y N 2.915 123.153 120.300 -0.103 0.000 2.503 518 Y HA 0.311 4.868 4.550 0.012 0.000 0.277 518 Y C -0.142 175.662 175.900 -0.161 0.000 1.102 518 Y CA 0.995 58.973 58.100 -0.203 0.000 1.261 518 Y CB 0.207 38.376 38.460 -0.485 0.000 1.096 518 Y HN 0.445 nan 8.280 nan 0.000 0.546 519 P HA -0.013 nan 4.420 nan 0.000 0.258 519 P C 0.306 177.438 177.300 -0.281 0.000 1.319 519 P CA 0.350 63.146 63.100 -0.506 0.000 0.785 519 P CB -0.403 31.195 31.700 -0.169 0.000 1.252 520 I N 1.781 122.223 120.570 -0.213 0.000 2.741 520 I HA -0.112 4.066 4.170 0.012 0.000 0.288 520 I C 1.079 177.146 176.117 -0.084 0.000 1.192 520 I CA 0.956 62.202 61.300 -0.090 0.000 1.426 520 I CB 0.431 38.410 38.000 -0.034 0.000 1.367 520 I HN -0.032 nan 8.210 nan 0.000 0.563 521 D N 4.609 124.983 120.400 -0.044 0.000 2.566 521 D HA 0.048 4.695 4.640 0.012 0.000 0.253 521 D C -0.201 176.093 176.300 -0.009 0.000 0.992 521 D CA 0.377 54.358 54.000 -0.031 0.000 0.940 521 D CB 0.530 41.317 40.800 -0.022 0.000 1.095 521 D HN 0.509 nan 8.370 nan 0.000 0.480 522 S N 0.240 115.937 115.700 -0.005 0.000 2.707 522 S HA 0.516 4.994 4.470 0.012 0.000 0.303 522 S C -0.532 174.066 174.600 -0.004 0.000 1.132 522 S CA -0.797 57.405 58.200 0.003 0.000 1.046 522 S CB 1.188 64.389 63.200 0.001 0.000 1.004 522 S HN 0.213 nan 8.310 nan 0.000 0.483 523 I N 3.208 123.784 120.570 0.009 0.000 2.337 523 I HA 0.436 4.613 4.170 0.012 0.000 0.285 523 I C -0.637 175.488 176.117 0.012 0.000 1.041 523 I CA -0.860 60.431 61.300 -0.014 0.000 1.199 523 I CB 1.443 39.449 38.000 0.009 0.000 1.370 523 I HN 0.448 nan 8.210 nan 0.000 0.470 524 V N 7.010 126.905 119.914 -0.031 0.000 2.495 524 V HA 0.451 4.578 4.120 0.012 0.000 0.298 524 V C -1.236 174.851 176.094 -0.011 0.000 1.031 524 V CA -0.412 61.908 62.300 0.034 0.000 0.871 524 V CB 1.969 33.812 31.823 0.032 0.000 0.988 524 V HN 0.622 nan 8.190 nan 0.000 0.432 525 W N 4.378 125.701 121.300 0.038 0.000 2.365 525 W HA 0.597 5.264 4.660 0.012 0.000 0.316 525 W C 0.297 176.848 176.519 0.052 0.000 1.164 525 W CA -0.130 57.249 57.345 0.057 0.000 1.204 525 W CB 1.035 30.541 29.460 0.076 0.000 1.213 525 W HN 0.513 nan 8.180 nan 0.000 0.539 526 E N 2.565 122.936 120.200 0.286 0.000 2.293 526 E HA 0.415 4.772 4.350 0.012 0.000 0.270 526 E C -0.744 175.949 176.600 0.156 0.000 0.879 526 E CA -1.340 55.160 56.400 0.166 0.000 0.756 526 E CB 2.377 32.116 29.700 0.064 0.000 1.208 526 E HN 0.074 nan 8.360 nan 0.000 0.428 527 R N 2.163 122.696 120.500 0.055 0.000 2.393 527 R HA 0.152 4.499 4.340 0.012 0.000 0.315 527 R C -1.067 175.190 176.300 -0.070 0.000 0.952 527 R CA -0.378 55.671 56.100 -0.085 0.000 0.842 527 R CB 0.478 30.655 30.300 -0.204 0.000 1.163 527 R HN 0.601 nan 8.270 nan 0.000 0.450 528 D N 2.928 123.283 120.400 -0.076 0.000 2.701 528 D HA -0.272 4.375 4.640 0.012 0.000 0.235 528 D C 0.665 176.947 176.300 -0.030 0.000 1.155 528 D CA 1.597 55.566 54.000 -0.052 0.000 0.649 528 D CB -0.821 39.940 40.800 -0.063 0.000 1.050 528 D HN 0.963 nan 8.370 nan 0.000 0.425 529 N N -1.910 116.779 118.700 -0.017 0.000 2.896 529 N HA -0.268 4.479 4.740 0.012 0.000 0.198 529 N C -0.319 175.191 175.510 -0.001 0.000 1.061 529 N CA 1.052 54.097 53.050 -0.008 0.000 1.096 529 N CB -0.332 38.148 38.487 -0.012 0.000 0.963 529 N HN 0.276 nan 8.380 nan 0.000 0.570 530 R N 1.540 122.038 120.500 -0.003 0.000 2.390 530 R HA 0.452 4.799 4.340 0.012 0.000 0.291 530 R C 0.260 176.574 176.300 0.022 0.000 1.070 530 R CA 0.453 56.555 56.100 0.004 0.000 1.014 530 R CB 0.823 31.121 30.300 -0.005 0.000 1.007 530 R HN 0.302 nan 8.270 nan 0.000 0.466 531 A N 3.344 126.181 122.820 0.029 0.000 2.566 531 A HA -0.089 4.239 4.320 0.012 0.000 0.245 531 A C 1.384 179.007 177.584 0.065 0.000 1.056 531 A CA -0.259 51.809 52.037 0.051 0.000 0.757 531 A CB 0.115 19.137 19.000 0.037 0.000 0.979 531 A HN 0.770 nan 8.150 nan 0.000 0.508 532 L N 4.505 125.799 121.223 0.118 0.000 2.043 532 L HA -0.026 4.321 4.340 0.012 0.000 0.212 532 L C -1.156 175.759 176.870 0.075 0.000 1.075 532 L CA 2.166 57.088 54.840 0.136 0.000 0.752 532 L CB -1.067 41.137 42.059 0.241 0.000 0.891 532 L HN 0.538 nan 8.230 nan 0.000 0.432 533 P HA 0.032 nan 4.420 nan 0.000 0.269 533 P C -0.141 177.162 177.300 0.006 0.000 1.263 533 P CA 0.490 63.593 63.100 0.005 0.000 0.813 533 P CB 0.222 31.907 31.700 -0.024 0.000 0.868 534 I N 0.625 121.200 120.570 0.008 0.000 4.557 534 I HA 0.268 4.445 4.170 0.012 0.000 0.333 534 I C 0.283 176.399 176.117 -0.002 0.000 1.332 534 I CA -0.335 60.966 61.300 0.002 0.000 1.240 534 I CB -0.320 37.682 38.000 0.003 0.000 1.312 534 I HN 0.170 nan 8.210 nan 0.000 0.457 535 N N 0.512 119.211 118.700 -0.001 0.000 2.416 535 N HA 0.359 5.106 4.740 0.012 0.000 0.276 535 N C -0.052 175.452 175.510 -0.010 0.000 1.261 535 N CA -0.720 52.328 53.050 -0.003 0.000 0.790 535 N CB 1.760 40.249 38.487 0.004 0.000 1.554 535 N HN -0.219 nan 8.380 nan 0.000 0.481 536 R N 0.608 121.102 120.500 -0.010 0.000 2.133 536 R HA -0.146 4.201 4.340 0.012 0.000 0.245 536 R C 1.577 177.868 176.300 -0.015 0.000 1.137 536 R CA 1.996 58.089 56.100 -0.013 0.000 0.947 536 R CB -0.275 30.019 30.300 -0.009 0.000 0.865 536 R HN 0.559 nan 8.270 nan 0.000 0.437 537 K N 0.868 121.261 120.400 -0.012 0.000 2.217 537 K HA -0.033 4.294 4.320 0.012 0.000 0.202 537 K C 0.361 176.947 176.600 -0.024 0.000 1.051 537 K CA 0.812 57.090 56.287 -0.015 0.000 0.952 537 K CB -0.021 32.472 32.500 -0.012 0.000 0.736 537 K HN 0.416 nan 8.250 nan 0.000 0.453 538 Q N 1.084 120.871 119.800 -0.023 0.000 2.288 538 Q HA 0.194 4.541 4.340 0.012 0.000 0.258 538 Q C -0.648 175.316 176.000 -0.062 0.000 0.957 538 Q CA 0.327 56.107 55.803 -0.038 0.000 0.919 538 Q CB 1.027 29.760 28.738 -0.008 0.000 1.185 538 Q HN -0.066 nan 8.270 nan 0.000 0.408 539 K N 1.453 121.805 120.400 -0.080 0.000 2.371 539 K HA 0.696 5.023 4.320 0.012 0.000 0.251 539 K C -1.387 175.116 176.600 -0.162 0.000 0.934 539 K CA -0.714 55.489 56.287 -0.140 0.000 0.798 539 K CB 2.261 34.712 32.500 -0.082 0.000 1.204 539 K HN 0.260 nan 8.250 nan 0.000 0.427 540 V N 3.096 122.824 119.914 -0.308 0.000 2.888 540 V HA 0.534 4.661 4.120 0.012 0.000 0.309 540 V C -1.360 174.520 176.094 -0.358 0.000 1.114 540 V CA -0.884 61.315 62.300 -0.169 0.000 0.940 540 V CB 1.568 33.370 31.823 -0.036 0.000 1.021 540 V HN 0.597 nan 8.190 nan 0.000 0.426 541 F N 3.703 123.680 119.950 0.046 0.000 2.561 541 F HA 0.546 5.080 4.527 0.012 0.000 0.321 541 F C -1.435 174.415 175.800 0.083 0.000 1.065 541 F CA -1.933 56.098 58.000 0.052 0.000 0.934 541 F CB 2.280 41.300 39.000 0.033 0.000 1.215 541 F HN 0.329 nan 8.300 nan 0.000 0.471 542 P HA -0.147 nan 4.420 nan 0.000 0.225 542 P C 0.550 177.944 177.300 0.156 0.000 1.148 542 P CA 1.361 64.556 63.100 0.158 0.000 0.779 542 P CB -0.145 31.625 31.700 0.116 0.000 0.780 543 N N -0.138 118.672 118.700 0.183 0.000 2.520 543 N HA -0.016 4.731 4.740 0.012 0.000 0.185 543 N C 1.341 176.943 175.510 0.154 0.000 1.068 543 N CA 1.453 54.585 53.050 0.136 0.000 0.911 543 N CB -1.017 37.526 38.487 0.094 0.000 0.961 543 N HN 0.195 nan 8.380 nan 0.000 0.446 544 G N -2.203 106.730 108.800 0.222 0.000 2.148 544 G HA2 -0.220 3.747 3.960 0.012 0.000 0.203 544 G HA3 -0.220 3.747 3.960 0.012 0.000 0.203 544 G C -0.085 175.080 174.900 0.442 0.000 0.993 544 G CA 0.224 45.494 45.100 0.282 0.000 0.661 544 G HN 0.601 nan 8.290 nan 0.000 0.518 545 T N 0.459 115.211 114.554 0.329 0.000 2.829 545 T HA 0.655 5.013 4.350 0.012 0.000 0.282 545 T C -0.116 174.658 174.700 0.123 0.000 0.990 545 T CA -0.303 61.933 62.100 0.227 0.000 1.028 545 T CB 1.188 70.108 68.868 0.086 0.000 0.951 545 T HN 0.977 nan 8.240 nan 0.000 0.460 546 L N 5.865 126.947 121.223 -0.236 0.000 2.334 546 L HA 0.858 5.205 4.340 0.012 0.000 0.272 546 L C -1.084 175.623 176.870 -0.271 0.000 1.020 546 L CA -0.640 53.913 54.840 -0.479 0.000 0.812 546 L CB 1.427 42.696 42.059 -1.317 0.000 1.264 546 L HN 0.732 nan 8.230 nan 0.000 0.439 547 I N 4.800 125.266 120.570 -0.173 0.000 2.611 547 I HA 0.426 4.604 4.170 0.012 0.000 0.287 547 I C -1.544 174.508 176.117 -0.108 0.000 1.184 547 I CA -0.344 60.890 61.300 -0.111 0.000 1.054 547 I CB 1.215 39.223 38.000 0.012 0.000 1.257 547 I HN 0.586 nan 8.210 nan 0.000 0.435 548 I N 6.839 127.324 120.570 -0.142 0.000 2.359 548 I HA 0.281 4.458 4.170 0.012 0.000 0.294 548 I C 0.534 176.611 176.117 -0.068 0.000 0.987 548 I CA -0.287 60.950 61.300 -0.104 0.000 1.225 548 I CB 2.007 39.927 38.000 -0.133 0.000 1.366 548 I HN 0.671 nan 8.210 nan 0.000 0.466 549 E N 3.610 123.786 120.200 -0.041 0.000 2.011 549 E HA -0.012 4.346 4.350 0.012 0.000 0.191 549 E C 0.642 177.225 176.600 -0.028 0.000 0.980 549 E CA 0.848 57.231 56.400 -0.028 0.000 0.814 549 E CB 0.185 29.876 29.700 -0.015 0.000 0.775 549 E HN 0.463 nan 8.360 nan 0.000 0.454 550 N N 0.869 119.555 118.700 -0.023 0.000 2.609 550 N HA 0.142 4.889 4.740 0.012 0.000 0.234 550 N C -1.289 174.209 175.510 -0.020 0.000 1.001 550 N CA -0.237 52.801 53.050 -0.021 0.000 0.926 550 N CB 0.954 39.431 38.487 -0.015 0.000 1.130 550 N HN -0.123 nan 8.380 nan 0.000 0.510 551 V N 3.604 123.503 119.914 -0.026 0.000 2.572 551 V HA 0.079 4.206 4.120 0.012 0.000 0.291 551 V C 0.118 176.205 176.094 -0.012 0.000 1.039 551 V CA 0.264 62.551 62.300 -0.021 0.000 1.055 551 V CB 0.737 32.542 31.823 -0.031 0.000 0.969 551 V HN 0.652 nan 8.190 nan 0.000 0.482 552 E N 3.906 124.106 120.200 -0.000 0.000 2.331 552 E HA 0.509 4.866 4.350 0.012 0.000 0.275 552 E C 0.238 176.845 176.600 0.012 0.000 0.895 552 E CA -0.974 55.427 56.400 0.001 0.000 0.753 552 E CB 2.280 31.980 29.700 -0.001 0.000 1.216 552 E HN 0.337 nan 8.360 nan 0.000 0.434 553 R N 2.111 122.616 120.500 0.008 0.000 2.107 553 R HA -0.144 4.203 4.340 0.012 0.000 0.223 553 R C 1.729 178.040 176.300 0.019 0.000 1.138 553 R CA 2.432 58.541 56.100 0.014 0.000 0.900 553 R CB -0.356 29.948 30.300 0.007 0.000 0.814 553 R HN 0.811 nan 8.270 nan 0.000 0.437 554 N N -0.074 118.632 118.700 0.011 0.000 2.443 554 N HA -0.156 4.591 4.740 0.012 0.000 0.184 554 N C 1.645 177.161 175.510 0.010 0.000 1.037 554 N CA 1.089 54.144 53.050 0.008 0.000 0.896 554 N CB -0.130 38.359 38.487 0.003 0.000 0.959 554 N HN 0.160 nan 8.380 nan 0.000 0.442 555 S N 1.798 117.507 115.700 0.015 0.000 2.335 555 S HA -0.104 4.373 4.470 0.012 0.000 0.217 555 S C 1.128 175.751 174.600 0.039 0.000 1.032 555 S CA 1.353 59.564 58.200 0.019 0.000 0.985 555 S CB -0.113 63.098 63.200 0.017 0.000 0.896 555 S HN 0.571 nan 8.310 nan 0.000 0.445 556 D N -0.594 119.846 120.400 0.066 0.000 2.527 556 D HA 0.070 4.717 4.640 0.012 0.000 0.224 556 D C 0.306 176.723 176.300 0.196 0.000 1.217 556 D CA -0.216 53.874 54.000 0.150 0.000 0.819 556 D CB -0.369 40.527 40.800 0.161 0.000 1.061 556 D HN 0.436 nan 8.370 nan 0.000 0.515 557 Q N 1.499 121.364 119.800 0.109 0.000 2.286 557 Q HA 0.405 4.752 4.340 0.012 0.000 0.265 557 Q C -0.694 175.369 176.000 0.105 0.000 1.080 557 Q CA 0.025 55.893 55.803 0.108 0.000 0.906 557 Q CB 0.476 29.248 28.738 0.055 0.000 1.227 557 Q HN 0.342 nan 8.270 nan 0.000 0.409 558 A N 2.793 125.715 122.820 0.170 0.000 2.438 558 A HA 0.482 4.810 4.320 0.012 0.000 0.301 558 A C -1.075 176.604 177.584 0.158 0.000 1.101 558 A CA -0.470 51.612 52.037 0.075 0.000 0.621 558 A CB 0.896 19.827 19.000 -0.116 0.000 1.350 558 A HN 0.652 nan 8.150 nan 0.000 0.496 559 T N -0.435 114.155 114.554 0.060 0.000 2.781 559 T HA 0.634 4.991 4.350 0.012 0.000 0.305 559 T C -0.714 174.048 174.700 0.104 0.000 1.001 559 T CA -0.115 62.062 62.100 0.127 0.000 0.950 559 T CB -0.291 68.617 68.868 0.066 0.000 0.955 559 T HN 0.385 nan 8.240 nan 0.000 0.471 560 Y N 2.267 122.643 120.300 0.126 0.000 2.316 560 Y HA 0.545 5.103 4.550 0.012 0.000 0.324 560 Y C 1.443 177.472 175.900 0.216 0.000 1.267 560 Y CA -0.700 57.528 58.100 0.214 0.000 1.311 560 Y CB 1.201 39.848 38.460 0.312 0.000 1.267 560 Y HN 0.814 nan 8.280 nan 0.000 0.516 561 T N -1.267 113.486 114.554 0.332 0.000 2.900 561 T HA 0.606 4.964 4.350 0.012 0.000 0.295 561 T C -0.969 173.621 174.700 -0.182 0.000 1.044 561 T CA -1.058 61.077 62.100 0.059 0.000 0.995 561 T CB 0.713 69.582 68.868 0.001 0.000 1.072 561 T HN 0.873 nan 8.240 nan 0.000 0.473 562 c N 1.058 119.307 118.600 -0.584 0.000 2.408 562 c HA 0.881 5.458 4.570 0.012 0.000 0.321 562 c C -0.349 173.466 174.090 -0.459 0.000 1.245 562 c CA -0.784 55.004 56.329 -0.901 0.000 1.523 562 c CB 0.189 41.608 42.510 -1.820 0.000 2.178 562 c HN 0.839 nan 8.230 nan 0.000 0.488 563 V N 3.619 123.344 119.914 -0.314 0.000 2.435 563 V HA 0.785 4.912 4.120 0.012 0.000 0.290 563 V C 0.544 176.545 176.094 -0.155 0.000 1.030 563 V CA 0.056 62.247 62.300 -0.181 0.000 0.881 563 V CB 1.541 33.301 31.823 -0.105 0.000 0.983 563 V HN 1.293 nan 8.190 nan 0.000 0.445 564 A N 5.792 128.543 122.820 -0.115 0.000 2.319 564 A HA 0.858 5.185 4.320 0.012 0.000 0.310 564 A C -0.495 177.073 177.584 -0.027 0.000 1.152 564 A CA -0.754 51.241 52.037 -0.069 0.000 0.783 564 A CB 0.964 19.924 19.000 -0.067 0.000 1.184 564 A HN 0.902 nan 8.150 nan 0.000 0.474 565 K N 1.738 122.131 120.400 -0.012 0.000 2.464 565 K HA 0.583 4.911 4.320 0.012 0.000 0.253 565 K C -0.663 175.946 176.600 0.016 0.000 0.933 565 K CA -0.914 55.381 56.287 0.013 0.000 0.801 565 K CB 1.664 34.167 32.500 0.004 0.000 1.271 565 K HN 0.600 nan 8.250 nan 0.000 0.430 566 N N 1.329 120.055 118.700 0.043 0.000 2.413 566 N HA 0.047 4.794 4.740 0.012 0.000 0.266 566 N C -0.571 174.954 175.510 0.025 0.000 1.238 566 N CA -0.512 52.555 53.050 0.028 0.000 0.972 566 N CB 0.471 38.987 38.487 0.049 0.000 1.210 566 N HN 0.707 nan 8.380 nan 0.000 0.547 567 Q N -0.381 119.424 119.800 0.008 0.000 2.369 567 Q HA -0.065 4.282 4.340 0.012 0.000 0.295 567 Q C -0.357 175.655 176.000 0.021 0.000 1.075 567 Q CA 0.860 56.667 55.803 0.006 0.000 0.941 567 Q CB 0.068 28.806 28.738 -0.000 0.000 1.260 567 Q HN 0.836 nan 8.270 nan 0.000 0.417 568 E N 0.431 120.626 120.200 -0.008 0.000 2.560 568 E HA -0.314 4.043 4.350 0.012 0.000 0.158 568 E C 0.450 176.983 176.600 -0.112 0.000 1.709 568 E CA 0.248 56.624 56.400 -0.040 0.000 0.653 568 E CB -2.102 27.589 29.700 -0.015 0.000 1.090 568 E HN 0.999 nan 8.360 nan 0.000 0.355 569 G N 1.303 110.024 108.800 -0.133 0.000 4.890 569 G HA2 -0.403 3.564 3.960 0.012 0.000 0.221 569 G HA3 -0.403 3.564 3.960 0.012 0.000 0.221 569 G C 0.055 174.837 174.900 -0.196 0.000 1.472 569 G CA -0.013 44.941 45.100 -0.244 0.000 0.962 569 G HN 0.545 nan 8.290 nan 0.000 0.671 570 Y N 3.048 123.346 120.300 -0.002 0.000 2.712 570 Y HA 0.403 4.960 4.550 0.012 0.000 0.333 570 Y C 1.208 177.106 175.900 -0.004 0.000 1.225 570 Y CA 0.615 58.716 58.100 0.002 0.000 1.499 570 Y CB 0.828 39.294 38.460 0.010 0.000 1.288 570 Y HN 0.853 nan 8.280 nan 0.000 0.575 571 S N 1.065 116.857 115.700 0.152 0.000 2.618 571 S HA 0.976 5.454 4.470 0.012 0.000 0.277 571 S C -1.133 173.501 174.600 0.056 0.000 1.138 571 S CA -0.572 57.669 58.200 0.069 0.000 0.844 571 S CB 2.118 65.330 63.200 0.020 0.000 1.127 571 S HN 1.024 nan 8.310 nan 0.000 0.474 572 A N 1.143 123.967 122.820 0.007 0.000 2.549 572 A HA 0.848 5.175 4.320 0.012 0.000 0.297 572 A C -0.923 176.612 177.584 -0.081 0.000 1.061 572 A CA -0.897 51.124 52.037 -0.028 0.000 0.690 572 A CB 1.509 20.492 19.000 -0.029 0.000 1.287 572 A HN 0.775 nan 8.150 nan 0.000 0.402 573 R N 0.431 120.871 120.500 -0.099 0.000 2.562 573 R HA 0.641 4.988 4.340 0.012 0.000 0.298 573 R C -0.235 175.972 176.300 -0.154 0.000 0.961 573 R CA -0.460 55.568 56.100 -0.120 0.000 0.881 573 R CB 2.406 32.657 30.300 -0.081 0.000 1.159 573 R HN 0.930 nan 8.270 nan 0.000 0.450 574 G N 0.390 109.079 108.800 -0.186 0.000 2.566 574 G HA2 0.401 4.368 3.960 0.012 0.000 0.311 574 G HA3 0.401 4.368 3.960 0.012 0.000 0.311 574 G C -0.993 173.828 174.900 -0.132 0.000 1.322 574 G CA -0.328 44.665 45.100 -0.179 0.000 0.969 574 G HN 0.417 nan 8.290 nan 0.000 0.490 575 S N 0.894 116.559 115.700 -0.057 0.000 2.566 575 S HA 0.419 4.896 4.470 0.012 0.000 0.324 575 S C -0.595 174.047 174.600 0.070 0.000 1.081 575 S CA -0.502 57.707 58.200 0.014 0.000 1.105 575 S CB 1.325 64.531 63.200 0.011 0.000 0.981 575 S HN 0.620 nan 8.310 nan 0.000 0.464 576 L N 3.131 124.455 121.223 0.168 0.000 2.325 576 L HA 0.534 4.881 4.340 0.012 0.000 0.279 576 L C 0.019 177.011 176.870 0.203 0.000 1.054 576 L CA -0.120 54.843 54.840 0.204 0.000 0.804 576 L CB 1.131 43.390 42.059 0.333 0.000 1.200 576 L HN 0.678 nan 8.230 nan 0.000 0.436 577 E N 3.932 124.214 120.200 0.137 0.000 2.103 577 E HA 0.320 4.678 4.350 0.012 0.000 0.254 577 E C -1.417 175.248 176.600 0.107 0.000 0.940 577 E CA -0.549 55.927 56.400 0.125 0.000 0.771 577 E CB 0.808 30.554 29.700 0.077 0.000 1.153 577 E HN 0.560 nan 8.360 nan 0.000 0.428 578 V N 5.090 125.095 119.914 0.152 0.000 2.387 578 V HA 0.060 4.187 4.120 0.012 0.000 0.260 578 V C 0.349 176.493 176.094 0.083 0.000 1.054 578 V CA -0.072 62.269 62.300 0.069 0.000 0.967 578 V CB 0.790 32.593 31.823 -0.033 0.000 1.036 578 V HN 0.652 nan 8.190 nan 0.000 0.481 579 Q N 4.115 123.940 119.800 0.042 0.000 2.235 579 Q HA 0.535 4.882 4.340 0.012 0.000 0.250 579 Q C -1.288 174.724 176.000 0.019 0.000 0.909 579 Q CA -0.517 55.307 55.803 0.034 0.000 0.910 579 Q CB 1.892 30.645 28.738 0.023 0.000 1.223 579 Q HN 0.560 nan 8.270 nan 0.000 0.432 580 V N 5.889 125.815 119.914 0.021 0.000 2.326 580 V HA 0.252 4.380 4.120 0.012 0.000 0.281 580 V C 0.200 176.296 176.094 0.003 0.000 1.015 580 V CA -0.392 61.913 62.300 0.009 0.000 0.823 580 V CB 0.989 32.822 31.823 0.015 0.000 1.009 580 V HN 0.933 nan 8.190 nan 0.000 0.436 581 M N 3.581 123.178 119.600 -0.005 0.000 2.014 581 M HA 0.620 5.107 4.480 0.012 0.000 0.182 581 M C -0.225 176.066 176.300 -0.014 0.000 1.082 581 M CA -0.409 54.886 55.300 -0.008 0.000 1.340 581 M CB 0.788 33.381 32.600 -0.010 0.000 1.026 581 M HN 0.401 nan 8.290 nan 0.000 0.680 582 V N 0.631 120.534 119.914 -0.020 0.000 2.915 582 V HA 0.335 4.462 4.120 0.012 0.000 0.282 582 V C -1.808 174.266 176.094 -0.035 0.000 1.445 582 V CA -0.815 61.469 62.300 -0.026 0.000 0.953 582 V CB 1.913 33.723 31.823 -0.022 0.000 1.140 582 V HN 0.634 nan 8.190 nan 0.000 0.440 583 L N 9.159 130.356 121.223 -0.044 0.000 2.367 583 L HA 0.557 4.905 4.340 0.012 0.000 0.275 583 L C -1.786 175.049 176.870 -0.058 0.000 1.129 583 L CA -1.194 53.611 54.840 -0.058 0.000 0.839 583 L CB 1.532 43.548 42.059 -0.072 0.000 1.133 583 L HN 0.585 nan 8.230 nan 0.000 0.453 584 P HA 0.021 nan 4.420 nan 0.000 0.268 584 P C -1.326 175.936 177.300 -0.064 0.000 1.204 584 P CA -0.151 62.914 63.100 -0.059 0.000 0.768 584 P CB 0.581 32.243 31.700 -0.063 0.000 0.842 585 R N 3.974 124.437 120.500 -0.061 0.000 2.246 585 R HA 0.453 4.801 4.340 0.012 0.000 0.332 585 R C -0.396 175.855 176.300 -0.081 0.000 0.974 585 R CA -0.827 55.230 56.100 -0.072 0.000 0.837 585 R CB 0.269 30.529 30.300 -0.066 0.000 1.145 585 R HN 0.534 nan 8.270 nan 0.000 0.467 586 I N 5.331 125.842 120.570 -0.098 0.000 2.365 586 I HA 0.186 4.363 4.170 0.012 0.000 0.291 586 I C -0.338 175.656 176.117 -0.205 0.000 1.004 586 I CA -0.813 60.422 61.300 -0.107 0.000 1.311 586 I CB 0.793 38.755 38.000 -0.064 0.000 1.401 586 I HN 0.630 nan 8.210 nan 0.000 0.491 587 I N 10.249 130.719 120.570 -0.168 0.000 2.581 587 I HA 0.415 4.592 4.170 0.012 0.000 0.288 587 I C -2.101 173.755 176.117 -0.436 0.000 1.047 587 I CA -2.298 58.862 61.300 -0.233 0.000 1.374 587 I CB 0.672 38.610 38.000 -0.104 0.000 1.423 587 I HN 0.469 nan 8.210 nan 0.000 0.549 588 P HA 0.198 nan 4.420 nan 0.000 0.273 588 P C -1.280 175.836 177.300 -0.307 0.000 1.250 588 P CA 0.189 62.748 63.100 -0.902 0.000 0.793 588 P CB 0.341 31.667 31.700 -0.624 0.000 1.011 589 F N -0.832 119.206 119.950 0.147 0.000 2.631 589 F HA 0.814 5.349 4.527 0.014 0.000 0.350 589 F C -0.030 175.802 175.800 0.052 0.000 1.080 589 F CA -1.553 56.507 58.000 0.100 0.000 1.026 589 F CB 0.328 39.392 39.000 0.107 0.000 1.347 589 F HN 0.249 nan 8.300 nan 0.000 0.501 590 A N 0.723 123.636 122.820 0.154 0.000 2.521 590 A HA 0.579 4.906 4.320 0.012 0.000 0.298 590 A C -1.348 176.213 177.584 -0.038 0.000 1.044 590 A CA -0.679 51.395 52.037 0.061 0.000 0.911 590 A CB -0.316 18.743 19.000 0.099 0.000 1.376 590 A HN 0.434 nan 8.150 nan 0.000 0.392 591 F N 1.023 121.025 119.950 0.086 0.000 2.380 591 F HA 0.279 4.812 4.527 0.011 0.000 0.295 591 F C 1.749 177.563 175.800 0.023 0.000 1.292 591 F CA 0.698 58.709 58.000 0.018 0.000 1.248 591 F CB 0.580 39.563 39.000 -0.027 0.000 1.338 591 F HN 0.702 nan 8.300 nan 0.000 0.524 592 E N 0.676 121.018 120.200 0.236 0.000 2.323 592 E HA 0.027 4.385 4.350 0.012 0.000 0.313 592 E C -0.634 176.036 176.600 0.117 0.000 1.236 592 E CA -0.231 56.248 56.400 0.131 0.000 1.333 592 E CB -1.053 28.701 29.700 0.091 0.000 1.138 592 E HN 0.557 nan 8.360 nan 0.000 0.492 593 E N 1.169 121.451 120.200 0.137 0.000 3.661 593 E HA -0.214 4.143 4.350 0.012 0.000 0.262 593 E C 0.183 176.824 176.600 0.069 0.000 0.817 593 E CA 0.599 57.067 56.400 0.113 0.000 0.977 593 E CB -0.010 29.746 29.700 0.093 0.000 0.854 593 E HN 0.633 nan 8.360 nan 0.000 0.566 594 G N 3.739 112.567 108.800 0.048 0.000 2.561 594 G HA2 0.171 4.139 3.960 0.012 0.000 0.197 594 G HA3 0.171 4.139 3.960 0.012 0.000 0.197 594 G C -1.834 173.074 174.900 0.015 0.000 1.250 594 G CA -0.121 44.993 45.100 0.022 0.000 0.703 594 G HN 0.419 nan 8.290 nan 0.000 0.625 595 P HA 0.473 nan 4.420 nan 0.000 0.302 595 P C -0.026 177.220 177.300 -0.091 0.000 1.301 595 P CA -0.153 62.906 63.100 -0.069 0.000 0.745 595 P CB 0.339 31.977 31.700 -0.103 0.000 1.331 596 A N -0.369 122.351 122.820 -0.166 0.000 2.386 596 A HA 0.194 4.521 4.320 0.012 0.000 0.248 596 A C 0.101 177.625 177.584 -0.099 0.000 1.082 596 A CA -0.023 51.929 52.037 -0.142 0.000 0.789 596 A CB -0.443 18.427 19.000 -0.217 0.000 1.025 596 A HN 0.515 nan 8.150 nan 0.000 0.490 597 Q N 1.041 120.798 119.800 -0.071 0.000 2.230 597 Q HA 0.462 4.810 4.340 0.012 0.000 0.253 597 Q C -0.365 175.599 176.000 -0.060 0.000 0.919 597 Q CA -0.692 55.080 55.803 -0.052 0.000 0.908 597 Q CB 1.545 30.264 28.738 -0.031 0.000 1.245 597 Q HN 0.758 nan 8.270 nan 0.000 0.437 598 V N 4.141 124.023 119.914 -0.052 0.000 2.681 598 V HA 0.193 4.320 4.120 0.012 0.000 0.306 598 V C 0.489 176.552 176.094 -0.052 0.000 1.077 598 V CA 2.036 64.303 62.300 -0.056 0.000 1.224 598 V CB -0.354 31.447 31.823 -0.037 0.000 0.879 598 V HN 1.045 nan 8.190 nan 0.000 0.494 599 G N 4.652 113.412 108.800 -0.067 0.000 2.643 599 G HA2 -0.135 3.833 3.960 0.012 0.000 0.280 599 G HA3 -0.135 3.833 3.960 0.012 0.000 0.280 599 G C -0.455 174.420 174.900 -0.041 0.000 1.120 599 G CA 0.255 45.324 45.100 -0.052 0.000 1.165 599 G HN 0.978 nan 8.290 nan 0.000 0.540 600 Q N -1.363 118.404 119.800 -0.055 0.000 2.587 600 Q HA 0.640 4.987 4.340 0.012 0.000 0.293 600 Q C -1.322 174.696 176.000 0.030 0.000 1.083 600 Q CA -0.995 54.794 55.803 -0.023 0.000 0.792 600 Q CB 2.168 30.864 28.738 -0.070 0.000 1.484 600 Q HN 0.608 nan 8.270 nan 0.000 0.446 601 Y N 1.198 121.452 120.300 -0.077 0.000 2.376 601 Y HA 0.480 5.036 4.550 0.010 0.000 0.326 601 Y C -1.536 174.337 175.900 -0.044 0.000 0.970 601 Y CA -0.396 57.668 58.100 -0.060 0.000 1.248 601 Y CB 0.412 38.849 38.460 -0.038 0.000 1.117 601 Y HN 0.401 nan 8.280 nan 0.000 0.476 602 L N 5.383 126.351 121.223 -0.425 0.000 2.322 602 L HA 0.574 4.922 4.340 0.012 0.000 0.281 602 L C -0.150 176.508 176.870 -0.353 0.000 1.014 602 L CA -0.799 53.868 54.840 -0.288 0.000 0.815 602 L CB 2.152 44.048 42.059 -0.271 0.000 1.247 602 L HN 0.566 nan 8.230 nan 0.000 0.421 603 T N 3.959 118.408 114.554 -0.174 0.000 2.847 603 T HA 0.571 4.928 4.350 0.012 0.000 0.291 603 T C -1.151 173.479 174.700 -0.117 0.000 0.998 603 T CA -0.350 61.635 62.100 -0.193 0.000 0.967 603 T CB 0.731 69.484 68.868 -0.192 0.000 0.954 603 T HN 0.284 nan 8.240 nan 0.000 0.441 604 L N 5.037 126.135 121.223 -0.209 0.000 2.329 604 L HA 0.673 5.020 4.340 0.012 0.000 0.279 604 L C -0.940 175.845 176.870 -0.140 0.000 1.014 604 L CA -0.549 54.085 54.840 -0.344 0.000 0.814 604 L CB 1.723 43.441 42.059 -0.568 0.000 1.257 604 L HN 0.791 nan 8.230 nan 0.000 0.424 605 H N 3.688 122.644 119.070 -0.190 0.000 2.800 605 H HA 0.357 4.919 4.556 0.011 0.000 0.322 605 H C -1.256 174.036 175.328 -0.059 0.000 0.979 605 H CA -0.619 55.400 56.048 -0.049 0.000 1.277 605 H CB 1.158 30.927 29.762 0.011 0.000 1.484 605 H HN 0.677 nan 8.280 nan 0.000 0.512 606 c N 5.402 123.847 118.600 -0.258 0.000 2.203 606 c HA 0.640 5.217 4.570 0.012 0.000 0.325 606 c C -0.345 173.579 174.090 -0.275 0.000 1.156 606 c CA -0.144 56.027 56.329 -0.263 0.000 1.597 606 c CB -1.565 40.723 42.510 -0.369 0.000 2.148 606 c HN 0.834 nan 8.230 nan 0.000 0.472 607 S N 3.273 118.826 115.700 -0.245 0.000 2.472 607 S HA 0.799 5.277 4.470 0.012 0.000 0.303 607 S C -0.874 173.688 174.600 -0.065 0.000 1.099 607 S CA -0.461 57.625 58.200 -0.190 0.000 1.077 607 S CB 1.586 64.665 63.200 -0.202 0.000 1.031 607 S HN 0.644 nan 8.310 nan 0.000 0.487 608 V N 5.424 125.308 119.914 -0.051 0.000 2.624 608 V HA 0.392 4.519 4.120 0.012 0.000 0.294 608 V C -2.405 173.669 176.094 -0.033 0.000 1.077 608 V CA -1.341 60.933 62.300 -0.044 0.000 0.905 608 V CB 1.709 33.502 31.823 -0.051 0.000 1.025 608 V HN 0.708 nan 8.190 nan 0.000 0.440 609 P HA 0.862 nan 4.420 nan 0.000 0.286 609 P C 0.112 177.393 177.300 -0.031 0.000 1.261 609 P CA 0.084 63.170 63.100 -0.024 0.000 0.821 609 P CB 2.486 34.175 31.700 -0.019 0.000 1.013 610 G N 0.287 109.072 108.800 -0.026 0.000 2.564 610 G HA2 0.354 4.321 3.960 0.012 0.000 0.139 610 G HA3 0.354 4.321 3.960 0.012 0.000 0.139 610 G C -0.359 174.527 174.900 -0.023 0.000 1.147 610 G CA -0.101 44.982 45.100 -0.029 0.000 1.031 610 G HN 0.572 nan 8.290 nan 0.000 0.482 611 G N 1.571 110.355 108.800 -0.026 0.000 2.209 611 G HA2 0.393 4.361 3.960 0.012 0.000 0.271 611 G HA3 0.393 4.361 3.960 0.012 0.000 0.271 611 G C 0.043 174.934 174.900 -0.015 0.000 1.111 611 G CA 0.533 45.621 45.100 -0.020 0.000 1.092 611 G HN 0.481 nan 8.290 nan 0.000 0.416 612 D N 1.669 122.063 120.400 -0.010 0.000 2.405 612 D HA -0.037 4.610 4.640 0.012 0.000 0.232 612 D C 1.667 177.965 176.300 -0.004 0.000 1.240 612 D CA 0.038 54.035 54.000 -0.005 0.000 0.881 612 D CB 0.731 41.530 40.800 -0.002 0.000 1.222 612 D HN 0.173 nan 8.370 nan 0.000 0.482 613 L N -1.544 119.679 121.223 -0.001 0.000 4.467 613 L HA -0.237 4.110 4.340 0.012 0.000 0.053 613 L C -1.922 174.947 176.870 -0.002 0.000 3.826 613 L CA 1.532 56.373 54.840 0.001 0.000 1.082 613 L CB -3.091 38.969 42.059 0.002 0.000 3.280 613 L HN 0.514 nan 8.230 nan 0.000 0.950 614 P HA 0.381 nan 4.420 nan 0.000 0.271 614 P C -0.793 176.500 177.300 -0.012 0.000 1.233 614 P CA 0.395 63.493 63.100 -0.005 0.000 0.764 614 P CB 0.641 32.339 31.700 -0.004 0.000 0.825 615 L N 3.572 124.788 121.223 -0.013 0.000 2.518 615 L HA 0.326 4.673 4.340 0.012 0.000 0.262 615 L C 0.153 177.007 176.870 -0.026 0.000 0.982 615 L CA -0.237 54.589 54.840 -0.024 0.000 0.873 615 L CB 1.546 43.593 42.059 -0.021 0.000 1.198 615 L HN 0.385 nan 8.230 nan 0.000 0.427 616 N N 5.306 123.983 118.700 -0.038 0.000 2.500 616 N HA 0.433 5.180 4.740 0.012 0.000 0.236 616 N C -1.011 174.454 175.510 -0.075 0.000 1.022 616 N CA -0.410 52.617 53.050 -0.039 0.000 0.935 616 N CB 0.805 39.275 38.487 -0.028 0.000 1.147 616 N HN 0.490 nan 8.380 nan 0.000 0.512 617 I N 2.692 123.219 120.570 -0.072 0.000 2.339 617 I HA 0.288 4.466 4.170 0.012 0.000 0.290 617 I C -0.413 175.632 176.117 -0.120 0.000 0.994 617 I CA -0.650 60.569 61.300 -0.135 0.000 1.191 617 I CB 1.333 39.251 38.000 -0.138 0.000 1.343 617 I HN 0.304 nan 8.210 nan 0.000 0.458 618 D N 4.571 124.873 120.400 -0.162 0.000 2.423 618 D HA 0.422 5.070 4.640 0.012 0.000 0.235 618 D C -1.335 174.841 176.300 -0.206 0.000 1.011 618 D CA -0.282 53.677 54.000 -0.069 0.000 0.963 618 D CB 2.252 43.081 40.800 0.048 0.000 1.349 618 D HN 0.265 nan 8.370 nan 0.000 0.508 619 W N 0.354 121.684 121.300 0.050 0.000 2.666 619 W HA 0.425 5.090 4.660 0.008 0.000 0.334 619 W C -0.028 176.480 176.519 -0.018 0.000 1.051 619 W CA -0.512 56.853 57.345 0.033 0.000 1.224 619 W CB 1.848 31.323 29.460 0.025 0.000 1.405 619 W HN 0.118 nan 8.180 nan 0.000 0.513 620 T N 1.139 115.813 114.554 0.201 0.000 2.879 620 T HA 0.649 5.006 4.350 0.012 0.000 0.290 620 T C -1.373 173.264 174.700 -0.105 0.000 0.993 620 T CA -0.788 61.327 62.100 0.024 0.000 0.975 620 T CB 1.236 70.100 68.868 -0.006 0.000 0.981 620 T HN 0.486 nan 8.240 nan 0.000 0.439 621 L N 2.479 123.566 121.223 -0.227 0.000 2.317 621 L HA 0.500 4.848 4.340 0.012 0.000 0.281 621 L C -0.170 176.601 176.870 -0.165 0.000 1.024 621 L CA -0.728 53.901 54.840 -0.352 0.000 0.810 621 L CB 1.227 42.981 42.059 -0.509 0.000 1.240 621 L HN 0.853 nan 8.230 nan 0.000 0.427 622 D N 3.903 124.241 120.400 -0.102 0.000 3.941 622 D HA 0.068 4.715 4.640 0.012 0.000 0.225 622 D C 0.971 177.239 176.300 -0.054 0.000 1.298 622 D CA 2.010 55.981 54.000 -0.048 0.000 0.835 622 D CB 0.098 40.889 40.800 -0.014 0.000 1.205 622 D HN 0.856 nan 8.370 nan 0.000 0.644 623 G N 2.296 111.064 108.800 -0.053 0.000 2.313 623 G HA2 -0.247 3.720 3.960 0.012 0.000 0.215 623 G HA3 -0.247 3.720 3.960 0.012 0.000 0.215 623 G C 0.324 175.191 174.900 -0.055 0.000 1.023 623 G CA 0.408 45.479 45.100 -0.049 0.000 0.626 623 G HN 0.741 nan 8.290 nan 0.000 0.503 624 Q N -0.685 119.075 119.800 -0.066 0.000 2.893 624 Q HA 0.833 5.181 4.340 0.012 0.000 0.331 624 Q C -1.266 174.695 176.000 -0.064 0.000 0.893 624 Q CA 0.290 56.057 55.803 -0.060 0.000 0.783 624 Q CB 1.656 30.361 28.738 -0.055 0.000 1.440 624 Q HN 1.397 nan 8.270 nan 0.000 0.508 625 A N 1.248 124.041 122.820 -0.044 0.000 2.375 625 A HA 0.594 4.921 4.320 0.012 0.000 0.291 625 A C -0.796 176.778 177.584 -0.017 0.000 1.160 625 A CA -0.752 51.272 52.037 -0.022 0.000 0.747 625 A CB 0.127 19.134 19.000 0.012 0.000 1.170 625 A HN 0.925 nan 8.150 nan 0.000 0.458 626 I N 2.035 122.584 120.570 -0.035 0.000 2.750 626 I HA -0.214 3.964 4.170 0.012 0.000 0.126 626 I C 0.031 176.141 176.117 -0.012 0.000 0.884 626 I CA 0.999 62.282 61.300 -0.027 0.000 2.785 626 I CB 0.216 38.224 38.000 0.012 0.000 0.570 626 I HN 0.627 nan 8.210 nan 0.000 0.352 627 S N 5.509 121.193 115.700 -0.026 0.000 2.422 627 S HA 0.281 4.759 4.470 0.012 0.000 0.298 627 S C 0.995 175.590 174.600 -0.008 0.000 1.118 627 S CA -0.364 57.828 58.200 -0.013 0.000 1.083 627 S CB 1.335 64.524 63.200 -0.017 0.000 0.971 627 S HN 0.768 nan 8.310 nan 0.000 0.478 628 E N 3.129 123.333 120.200 0.007 0.000 2.147 628 E HA -0.211 4.146 4.350 0.012 0.000 0.199 628 E C 0.964 177.575 176.600 0.018 0.000 1.005 628 E CA 1.796 58.205 56.400 0.016 0.000 0.810 628 E CB -0.008 29.705 29.700 0.022 0.000 0.736 628 E HN 0.668 nan 8.360 nan 0.000 0.460 629 D N 0.390 120.797 120.400 0.013 0.000 2.191 629 D HA -0.208 4.439 4.640 0.012 0.000 0.195 629 D C 1.733 178.045 176.300 0.020 0.000 1.003 629 D CA 0.729 54.738 54.000 0.015 0.000 0.867 629 D CB -0.275 40.530 40.800 0.009 0.000 0.926 629 D HN 0.082 nan 8.370 nan 0.000 0.450 630 L N -0.177 121.049 121.223 0.005 0.000 2.127 630 L HA 0.009 4.356 4.340 0.012 0.000 0.211 630 L C 1.146 178.055 176.870 0.065 0.000 1.089 630 L CA 1.864 56.701 54.840 -0.005 0.000 0.757 630 L CB -0.390 41.616 42.059 -0.088 0.000 0.899 630 L HN 0.262 nan 8.230 nan 0.000 0.434 631 G N -0.051 108.797 108.800 0.080 0.000 2.842 631 G HA2 -0.149 3.819 3.960 0.012 0.000 0.242 631 G HA3 -0.149 3.819 3.960 0.012 0.000 0.242 631 G C -0.359 174.671 174.900 0.217 0.000 1.135 631 G CA -0.038 45.147 45.100 0.142 0.000 1.048 631 G HN 0.252 nan 8.290 nan 0.000 0.530 632 I N 0.883 121.522 120.570 0.116 0.000 2.534 632 I HA 0.305 4.482 4.170 0.012 0.000 0.286 632 I C -0.035 176.102 176.117 0.033 0.000 1.094 632 I CA -0.750 60.608 61.300 0.097 0.000 1.055 632 I CB 2.334 40.380 38.000 0.077 0.000 1.225 632 I HN 0.113 nan 8.210 nan 0.000 0.435 633 T N 3.223 117.784 114.554 0.012 0.000 2.762 633 T HA 0.154 4.511 4.350 0.012 0.000 0.303 633 T C 0.166 174.843 174.700 -0.038 0.000 0.977 633 T CA -0.122 61.980 62.100 0.003 0.000 0.961 633 T CB 0.696 69.576 68.868 0.021 0.000 0.944 633 T HN 0.542 nan 8.240 nan 0.000 0.481 634 T N 2.847 117.390 114.554 -0.018 0.000 2.733 634 T HA 0.490 4.847 4.350 0.012 0.000 0.294 634 T C -0.066 174.672 174.700 0.064 0.000 0.956 634 T CA -0.394 61.701 62.100 -0.009 0.000 0.987 634 T CB 0.442 69.351 68.868 0.069 0.000 0.920 634 T HN 0.536 nan 8.240 nan 0.000 0.470 635 S N 4.209 119.957 115.700 0.079 0.000 2.600 635 S HA 0.722 5.199 4.470 0.012 0.000 0.300 635 S C -0.327 174.359 174.600 0.144 0.000 1.087 635 S CA -0.937 57.322 58.200 0.097 0.000 0.965 635 S CB 1.148 64.389 63.200 0.069 0.000 1.089 635 S HN 0.803 nan 8.310 nan 0.000 0.496 636 R N 0.835 121.406 120.500 0.118 0.000 2.691 636 R HA 0.750 5.097 4.340 0.012 0.000 0.259 636 R C -1.140 175.223 176.300 0.106 0.000 1.048 636 R CA -0.905 55.267 56.100 0.119 0.000 1.086 636 R CB 1.379 31.733 30.300 0.090 0.000 1.166 636 R HN 0.456 nan 8.270 nan 0.000 0.526 637 V N 0.717 120.696 119.914 0.109 0.000 2.680 637 V HA 0.238 4.365 4.120 0.012 0.000 0.309 637 V C 1.401 177.539 176.094 0.073 0.000 1.052 637 V CA -0.306 62.053 62.300 0.098 0.000 0.908 637 V CB 1.537 33.447 31.823 0.145 0.000 1.001 637 V HN 1.071 nan 8.190 nan 0.000 0.431 638 G N 3.187 112.021 108.800 0.057 0.000 2.863 638 G HA2 -0.348 3.619 3.960 0.012 0.000 0.248 638 G HA3 -0.348 3.619 3.960 0.012 0.000 0.248 638 G C 0.997 175.921 174.900 0.039 0.000 1.155 638 G CA 1.444 46.570 45.100 0.043 0.000 0.752 638 G HN 0.622 nan 8.290 nan 0.000 0.666 639 R N 0.882 121.406 120.500 0.040 0.000 4.680 639 R HA 0.215 4.562 4.340 0.012 0.000 0.222 639 R C 0.386 176.704 176.300 0.030 0.000 1.803 639 R CA -0.339 55.780 56.100 0.031 0.000 1.560 639 R CB -0.624 29.693 30.300 0.029 0.000 1.412 639 R HN 0.296 nan 8.270 nan 0.000 0.815 640 R N -1.026 119.493 120.500 0.031 0.000 3.225 640 R HA -0.185 4.163 4.340 0.012 0.000 0.245 640 R C 0.180 176.496 176.300 0.027 0.000 0.928 640 R CA 1.064 57.180 56.100 0.026 0.000 0.632 640 R CB -2.543 27.762 30.300 0.010 0.000 1.038 640 R HN 0.609 nan 8.270 nan 0.000 0.461 641 G N -0.909 107.924 108.800 0.056 0.000 2.557 641 G HA2 0.575 4.542 3.960 0.012 0.000 0.302 641 G HA3 0.575 4.542 3.960 0.012 0.000 0.302 641 G C -0.762 174.199 174.900 0.101 0.000 1.311 641 G CA 0.151 45.292 45.100 0.070 0.000 1.030 641 G HN 0.243 nan 8.290 nan 0.000 0.509 642 S N -1.728 114.052 115.700 0.134 0.000 2.536 642 S HA 0.568 5.046 4.470 0.012 0.000 0.271 642 S C -1.084 173.734 174.600 0.363 0.000 1.134 642 S CA -0.445 57.897 58.200 0.237 0.000 0.897 642 S CB 1.507 64.844 63.200 0.229 0.000 1.094 642 S HN 1.536 nan 8.310 nan 0.000 0.473 643 V N 2.764 122.865 119.914 0.312 0.000 2.524 643 V HA 0.720 4.847 4.120 0.012 0.000 0.297 643 V C -0.915 175.187 176.094 0.013 0.000 1.035 643 V CA -0.924 61.497 62.300 0.202 0.000 0.867 643 V CB 1.129 33.023 31.823 0.118 0.000 1.004 643 V HN 0.765 nan 8.190 nan 0.000 0.426 644 L N 5.899 126.980 121.223 -0.237 0.000 2.268 644 L HA 0.749 5.096 4.340 0.012 0.000 0.289 644 L C 0.548 177.230 176.870 -0.313 0.000 1.064 644 L CA 0.560 55.082 54.840 -0.530 0.000 0.824 644 L CB 0.983 42.271 42.059 -1.285 0.000 1.202 644 L HN 0.986 nan 8.230 nan 0.000 0.433 645 T N 3.438 117.870 114.554 -0.204 0.000 2.795 645 T HA 0.649 5.006 4.350 0.012 0.000 0.282 645 T C 0.058 174.664 174.700 -0.156 0.000 0.980 645 T CA -0.429 61.554 62.100 -0.196 0.000 1.012 645 T CB 1.103 69.913 68.868 -0.096 0.000 0.936 645 T HN 0.473 nan 8.240 nan 0.000 0.457 646 I N 3.260 123.697 120.570 -0.221 0.000 2.537 646 I HA 0.228 4.405 4.170 0.012 0.000 0.276 646 I C 0.395 176.416 176.117 -0.160 0.000 1.063 646 I CA -0.770 60.456 61.300 -0.125 0.000 1.144 646 I CB 1.030 38.978 38.000 -0.088 0.000 1.252 646 I HN 0.803 nan 8.210 nan 0.000 0.480 647 E N 5.883 126.083 120.200 -0.000 0.000 2.343 647 E HA 0.611 4.968 4.350 0.012 0.000 0.269 647 E C 0.333 176.939 176.600 0.009 0.000 1.047 647 E CA -0.529 55.964 56.400 0.154 0.000 0.874 647 E CB 1.441 31.305 29.700 0.274 0.000 1.033 647 E HN 0.652 nan 8.360 nan 0.000 0.409 648 A N 1.656 124.476 122.820 -0.001 0.000 2.546 648 A HA -0.125 4.202 4.320 0.012 0.000 0.295 648 A C 0.147 177.600 177.584 -0.218 0.000 1.455 648 A CA 0.386 52.379 52.037 -0.074 0.000 0.730 648 A CB -2.297 16.677 19.000 -0.043 0.000 1.111 648 A HN 0.462 nan 8.150 nan 0.000 0.411 649 V N 1.437 121.205 119.914 -0.244 0.000 2.617 649 V HA 0.231 4.359 4.120 0.012 0.000 0.304 649 V C 0.869 176.771 176.094 -0.319 0.000 1.040 649 V CA 1.146 63.214 62.300 -0.388 0.000 1.149 649 V CB 0.685 32.352 31.823 -0.261 0.000 0.914 649 V HN 0.758 nan 8.190 nan 0.000 0.487 650 E N 2.413 122.371 120.200 -0.403 0.000 2.320 650 E HA 0.636 4.994 4.350 0.012 0.000 0.264 650 E C 0.896 177.528 176.600 0.052 0.000 0.923 650 E CA -0.380 55.968 56.400 -0.088 0.000 0.796 650 E CB 1.768 31.491 29.700 0.039 0.000 1.262 650 E HN 0.565 nan 8.360 nan 0.000 0.428 651 A N 0.759 123.613 122.820 0.057 0.000 1.940 651 A HA -0.190 4.137 4.320 0.012 0.000 0.219 651 A C 1.966 179.614 177.584 0.106 0.000 1.176 651 A CA 2.024 54.097 52.037 0.061 0.000 0.631 651 A CB -0.619 18.404 19.000 0.038 0.000 0.814 651 A HN 0.476 nan 8.150 nan 0.000 0.446 652 S N -0.503 115.284 115.700 0.146 0.000 2.419 652 S HA -0.177 4.300 4.470 0.012 0.000 0.235 652 S C 1.492 176.164 174.600 0.119 0.000 1.019 652 S CA 1.617 59.887 58.200 0.117 0.000 0.982 652 S CB -0.518 62.735 63.200 0.090 0.000 0.789 652 S HN 0.796 nan 8.310 nan 0.000 0.490 653 H N 1.056 120.163 119.070 0.062 0.000 2.556 653 H HA 0.467 5.029 4.556 0.011 0.000 0.268 653 H C 0.851 176.267 175.328 0.148 0.000 0.996 653 H CA 0.101 56.224 56.048 0.126 0.000 1.157 653 H CB -0.338 29.451 29.762 0.044 0.000 1.355 653 H HN 0.363 nan 8.280 nan 0.000 0.597 654 A N 0.587 123.515 122.820 0.180 0.000 2.425 654 A HA 0.562 4.889 4.320 0.012 0.000 0.249 654 A C 1.092 178.775 177.584 0.165 0.000 1.084 654 A CA 0.671 52.779 52.037 0.118 0.000 0.781 654 A CB -0.066 18.971 19.000 0.061 0.000 1.019 654 A HN 0.550 nan 8.150 nan 0.000 0.490 655 G N 1.438 110.347 108.800 0.181 0.000 2.320 655 G HA2 0.150 4.117 3.960 0.012 0.000 0.274 655 G HA3 0.150 4.117 3.960 0.012 0.000 0.274 655 G C -1.289 173.774 174.900 0.272 0.000 1.324 655 G CA -0.793 44.417 45.100 0.183 0.000 0.957 655 G HN 0.843 nan 8.290 nan 0.000 0.481 656 N N 0.291 119.116 118.700 0.207 0.000 2.408 656 N HA 0.626 5.373 4.740 0.012 0.000 0.257 656 N C -1.060 174.607 175.510 0.261 0.000 1.064 656 N CA 0.077 53.256 53.050 0.216 0.000 0.952 656 N CB 0.664 39.217 38.487 0.110 0.000 1.093 656 N HN 0.323 nan 8.380 nan 0.000 0.490 657 F N 0.728 120.764 119.950 0.144 0.000 2.422 657 F HA 0.506 5.039 4.527 0.011 0.000 0.333 657 F C 0.574 176.520 175.800 0.243 0.000 1.095 657 F CA -0.329 57.797 58.000 0.211 0.000 1.038 657 F CB 1.720 40.884 39.000 0.274 0.000 1.156 657 F HN 0.166 nan 8.300 nan 0.000 0.483 658 T N 2.207 116.986 114.554 0.374 0.000 3.071 658 T HA 0.150 4.507 4.350 0.012 0.000 0.311 658 T C -1.382 173.497 174.700 0.297 0.000 1.042 658 T CA -0.542 61.746 62.100 0.313 0.000 1.028 658 T CB 1.130 70.089 68.868 0.151 0.000 1.068 658 T HN 0.711 nan 8.240 nan 0.000 0.451 659 c N 4.866 123.587 118.600 0.201 0.000 2.416 659 c HA 0.438 5.016 4.570 0.012 0.000 0.355 659 c C 0.249 174.294 174.090 -0.075 0.000 1.211 659 c CA -0.229 55.879 56.329 -0.369 0.000 1.699 659 c CB -1.864 40.295 42.510 -0.585 0.000 2.310 659 c HN 0.975 nan 8.230 nan 0.000 0.539 660 H N 4.434 123.379 119.070 -0.209 0.000 2.641 660 H HA 0.589 5.152 4.556 0.012 0.000 0.295 660 H C -0.192 175.060 175.328 -0.127 0.000 1.070 660 H CA 0.311 56.302 56.048 -0.095 0.000 1.257 660 H CB 0.758 30.490 29.762 -0.050 0.000 1.393 660 H HN 0.849 nan 8.280 nan 0.000 0.464 661 A N 6.319 128.928 122.820 -0.351 0.000 2.319 661 A HA 0.606 4.933 4.320 0.012 0.000 0.310 661 A C -0.551 176.871 177.584 -0.269 0.000 1.152 661 A CA -1.015 50.852 52.037 -0.283 0.000 0.783 661 A CB 0.635 19.520 19.000 -0.192 0.000 1.184 661 A HN 0.859 nan 8.150 nan 0.000 0.474 662 R N 2.198 122.564 120.500 -0.223 0.000 2.803 662 R HA 0.734 5.081 4.340 0.012 0.000 0.276 662 R C -1.016 175.244 176.300 -0.067 0.000 0.978 662 R CA -0.859 55.166 56.100 -0.123 0.000 0.939 662 R CB 1.719 31.966 30.300 -0.088 0.000 1.179 662 R HN 0.619 nan 8.270 nan 0.000 0.472 663 N N 2.712 121.389 118.700 -0.039 0.000 2.336 663 N HA 0.091 4.838 4.740 0.012 0.000 0.290 663 N C -0.941 174.560 175.510 -0.014 0.000 1.058 663 N CA -0.734 52.299 53.050 -0.029 0.000 0.865 663 N CB 1.877 40.341 38.487 -0.038 0.000 1.581 663 N HN 0.618 nan 8.380 nan 0.000 0.480 664 L N 3.737 124.956 121.223 -0.008 0.000 3.176 664 L HA -0.153 4.194 4.340 0.012 0.000 0.334 664 L C 0.866 177.733 176.870 -0.004 0.000 1.074 664 L CA 1.946 56.785 54.840 -0.001 0.000 0.865 664 L CB -0.741 41.316 42.059 -0.003 0.000 1.320 664 L HN 0.881 nan 8.230 nan 0.000 0.553 665 A N 2.398 125.221 122.820 0.006 0.000 3.002 665 A HA 0.282 4.609 4.320 0.012 0.000 0.272 665 A C 0.780 178.350 177.584 -0.024 0.000 1.421 665 A CA 0.906 52.942 52.037 -0.001 0.000 0.766 665 A CB -2.205 16.788 19.000 -0.011 0.000 1.034 665 A HN 2.320 nan 8.150 nan 0.000 0.541 666 G N -1.482 107.310 108.800 -0.015 0.000 2.361 666 G HA2 0.768 4.735 3.960 0.012 0.000 0.299 666 G HA3 0.768 4.735 3.960 0.012 0.000 0.299 666 G C -1.346 173.523 174.900 -0.052 0.000 1.544 666 G CA 0.345 45.380 45.100 -0.108 0.000 0.860 666 G HN 2.325 nan 8.290 nan 0.000 0.610 667 H N -1.387 117.656 119.070 -0.044 0.000 3.149 667 H HA 0.772 5.335 4.556 0.012 0.000 0.334 667 H C -0.846 174.441 175.328 -0.068 0.000 1.000 667 H CA -0.885 55.111 56.048 -0.087 0.000 1.415 667 H CB 1.593 31.325 29.762 -0.050 0.000 1.819 667 H HN 0.430 nan 8.280 nan 0.000 0.486 668 Q N 2.359 122.134 119.800 -0.042 0.000 2.413 668 Q HA 0.395 4.743 4.340 0.012 0.000 0.276 668 Q C -0.936 175.067 176.000 0.006 0.000 1.099 668 Q CA -0.902 54.893 55.803 -0.013 0.000 0.814 668 Q CB 3.473 32.182 28.738 -0.048 0.000 1.379 668 Q HN 0.953 nan 8.270 nan 0.000 0.436 669 Q N 0.273 120.130 119.800 0.095 0.000 2.534 669 Q HA 0.733 5.081 4.340 0.012 0.000 0.290 669 Q C -1.633 174.508 176.000 0.236 0.000 0.991 669 Q CA -0.857 55.043 55.803 0.162 0.000 0.783 669 Q CB 2.075 30.976 28.738 0.273 0.000 1.470 669 Q HN 0.411 nan 8.270 nan 0.000 0.406 670 F N 0.440 120.424 119.950 0.056 0.000 2.591 670 F HA 0.613 5.147 4.527 0.011 0.000 0.309 670 F C -1.413 174.477 175.800 0.148 0.000 1.098 670 F CA -0.248 57.738 58.000 -0.024 0.000 0.937 670 F CB 2.703 41.478 39.000 -0.376 0.000 1.250 670 F HN 0.664 nan 8.300 nan 0.000 0.447 671 T N 3.282 117.434 114.554 -0.669 0.000 2.823 671 T HA 0.659 5.016 4.350 0.012 0.000 0.279 671 T C -0.813 173.592 174.700 -0.491 0.000 0.998 671 T CA -0.546 61.358 62.100 -0.328 0.000 0.994 671 T CB 1.634 70.398 68.868 -0.172 0.000 0.960 671 T HN 0.573 nan 8.240 nan 0.000 0.448 672 T N 4.544 119.096 114.554 -0.003 0.000 2.893 672 T HA 0.590 4.947 4.350 0.012 0.000 0.293 672 T C -2.718 172.121 174.700 0.232 0.000 1.027 672 T CA -1.367 60.795 62.100 0.102 0.000 0.988 672 T CB 1.890 70.917 68.868 0.265 0.000 1.043 672 T HN 0.297 nan 8.240 nan 0.000 0.461 673 P HA 0.485 nan 4.420 nan 0.000 0.282 673 P C -1.132 176.275 177.300 0.178 0.000 1.249 673 P CA -0.678 62.529 63.100 0.178 0.000 0.806 673 P CB 0.785 32.553 31.700 0.114 0.000 0.984 674 L N 3.392 124.673 121.223 0.097 0.000 2.388 674 L HA 0.424 4.771 4.340 0.012 0.000 0.267 674 L C -0.847 175.977 176.870 -0.076 0.000 0.995 674 L CA -0.485 54.284 54.840 -0.118 0.000 0.864 674 L CB 0.515 42.373 42.059 -0.335 0.000 1.216 674 L HN 0.250 nan 8.230 nan 0.000 0.430 675 N N 3.325 121.971 118.700 -0.089 0.000 2.472 675 N HA 0.715 5.462 4.740 0.012 0.000 0.289 675 N C -0.929 174.529 175.510 -0.086 0.000 1.156 675 N CA -0.409 52.611 53.050 -0.051 0.000 0.940 675 N CB 2.800 41.277 38.487 -0.017 0.000 1.200 675 N HN 0.358 nan 8.380 nan 0.000 0.511 676 V N 0.000 119.883 119.914 -0.052 0.000 2.409 676 V HA 0.000 4.127 4.120 0.012 0.000 0.244 676 V CA 0.000 62.265 62.300 -0.058 0.000 1.235 676 V CB 0.000 31.778 31.823 -0.076 0.000 1.184 676 V HN 0.000 nan 8.190 nan 0.000 0.556