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 3nm3_1_D DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PTLTKKNXKK DATA SEQUENCE XXMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL STKNSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGXXATETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSKGTNGTS VEDIPCVAVE DATA SEQUENCE AGPIXXXXXX XXXGCSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.304 176.600 -0.494 0.000 0.988 2 K CA 0.000 56.054 56.287 -0.388 0.000 0.838 2 K CB 0.000 32.409 32.500 -0.152 0.000 1.064 3 F N 0.621 120.493 119.950 -0.128 0.000 2.362 3 F HA 0.565 5.092 4.527 0.001 0.000 0.340 3 F C 0.940 176.753 175.800 0.021 0.000 1.088 3 F CA -0.691 57.225 58.000 -0.139 0.000 1.096 3 F CB 1.452 40.222 39.000 -0.382 0.000 1.486 3 F HN 0.365 nan 8.300 nan 0.000 0.500 4 S N -0.730 115.147 115.700 0.294 0.000 2.538 4 S HA 0.301 4.771 4.470 0.001 0.000 0.288 4 S C 0.411 175.235 174.600 0.373 0.000 1.108 4 S CA -0.817 57.545 58.200 0.269 0.000 0.971 4 S CB 1.467 64.758 63.200 0.152 0.000 1.041 4 S HN 0.625 nan 8.310 nan 0.000 0.483 5 K N 2.027 122.621 120.400 0.324 0.000 2.169 5 K HA -0.250 4.070 4.320 0.001 0.000 0.213 5 K C 0.932 177.710 176.600 0.297 0.000 1.050 5 K CA 2.496 58.932 56.287 0.249 0.000 0.935 5 K CB -0.202 32.370 32.500 0.119 0.000 0.722 5 K HN 0.651 nan 8.250 nan 0.000 0.468 6 E N 0.225 120.558 120.200 0.223 0.000 2.502 6 E HA -0.062 4.288 4.350 0.001 0.000 0.194 6 E C 1.371 178.052 176.600 0.136 0.000 1.062 6 E CA 0.426 56.929 56.400 0.172 0.000 0.867 6 E CB 0.217 29.993 29.700 0.127 0.000 0.888 6 E HN 0.325 nan 8.360 nan 0.000 0.510 7 Q N -0.545 119.339 119.800 0.141 0.000 2.424 7 Q HA 0.091 4.431 4.340 0.001 0.000 0.204 7 Q C -0.317 175.561 176.000 -0.204 0.000 0.933 7 Q CA -0.052 55.742 55.803 -0.015 0.000 0.929 7 Q CB 0.231 28.966 28.738 -0.006 0.000 1.037 7 Q HN 0.231 nan 8.270 nan 0.000 0.511 8 F N 1.970 121.738 119.950 -0.303 0.000 2.519 8 F HA -0.002 4.526 4.527 0.001 0.000 0.375 8 F C 0.420 175.817 175.800 -0.672 0.000 1.084 8 F CA -0.354 57.279 58.000 -0.611 0.000 1.147 8 F CB 0.284 38.819 39.000 -0.775 0.000 1.088 8 F HN -0.133 nan 8.300 nan 0.000 0.555 9 D N 3.734 123.836 120.400 -0.498 0.000 2.411 9 D HA 0.092 4.733 4.640 0.001 0.000 0.225 9 D C 0.011 176.093 176.300 -0.364 0.000 1.156 9 D CA -0.127 53.676 54.000 -0.329 0.000 0.874 9 D CB 0.107 40.770 40.800 -0.229 0.000 1.034 9 D HN 0.411 nan 8.370 nan 0.000 0.502 10 Y N 1.813 122.051 120.300 -0.104 0.000 2.477 10 Y HA 0.041 4.592 4.550 0.001 0.000 0.303 10 Y C 2.266 178.144 175.900 -0.036 0.000 1.202 10 Y CA -0.313 57.714 58.100 -0.123 0.000 1.282 10 Y CB 0.135 38.545 38.460 -0.082 0.000 1.071 10 Y HN 0.304 nan 8.280 nan 0.000 0.510 11 S N 0.642 116.380 115.700 0.064 0.000 2.392 11 S HA -0.196 4.274 4.470 0.001 0.000 0.225 11 S C 0.606 175.252 174.600 0.077 0.000 1.041 11 S CA 1.171 59.411 58.200 0.065 0.000 1.100 11 S CB -0.346 62.869 63.200 0.025 0.000 1.029 11 S HN 0.305 nan 8.310 nan 0.000 0.424 12 L N 1.307 122.561 121.223 0.052 0.000 2.366 12 L HA 0.444 4.784 4.340 0.001 0.000 0.266 12 L C -1.467 175.467 176.870 0.107 0.000 1.010 12 L CA -0.646 54.234 54.840 0.067 0.000 0.879 12 L CB 0.783 42.861 42.059 0.030 0.000 1.228 12 L HN 0.193 nan 8.230 nan 0.000 0.439 13 Y N 5.220 125.521 120.300 0.002 0.000 2.425 13 Y HA 0.483 5.034 4.550 0.001 0.000 0.347 13 Y C -0.913 174.977 175.900 -0.017 0.000 0.976 13 Y CA -1.058 57.042 58.100 0.001 0.000 1.190 13 Y CB 1.243 39.728 38.460 0.042 0.000 1.136 13 Y HN 0.640 nan 8.280 nan 0.000 0.517 14 L N 7.138 128.547 121.223 0.310 0.000 2.289 14 L HA 0.609 4.949 4.340 0.001 0.000 0.285 14 L C -1.226 175.698 176.870 0.091 0.000 1.049 14 L CA -0.332 54.578 54.840 0.117 0.000 0.804 14 L CB 1.056 43.145 42.059 0.050 0.000 1.195 14 L HN 0.359 nan 8.230 nan 0.000 0.428 15 V N 3.673 123.564 119.914 -0.038 0.000 2.513 15 V HA 0.570 4.691 4.120 0.001 0.000 0.299 15 V C 0.327 176.402 176.094 -0.031 0.000 1.035 15 V CA -0.346 61.917 62.300 -0.062 0.000 0.889 15 V CB 1.805 33.527 31.823 -0.169 0.000 0.988 15 V HN 0.918 nan 8.190 nan 0.000 0.440 16 T N 0.487 115.036 114.554 -0.008 0.000 2.934 16 T HA 0.675 5.025 4.350 0.001 0.000 0.283 16 T C -0.830 173.859 174.700 -0.017 0.000 1.005 16 T CA -0.591 61.503 62.100 -0.009 0.000 1.041 16 T CB 1.755 70.624 68.868 0.000 0.000 1.042 16 T HN 0.737 nan 8.240 nan 0.000 0.505 17 D N 0.138 120.531 120.400 -0.012 0.000 2.613 17 D HA 0.364 5.005 4.640 0.001 0.000 0.230 17 D C 0.812 177.114 176.300 0.003 0.000 1.365 17 D CA -0.445 53.547 54.000 -0.013 0.000 0.976 17 D CB 1.869 42.662 40.800 -0.012 0.000 1.415 17 D HN 0.434 nan 8.370 nan 0.000 0.589 18 S N 2.226 117.933 115.700 0.011 0.000 2.348 18 S HA 0.001 4.472 4.470 0.001 0.000 0.221 18 S C 1.536 176.156 174.600 0.033 0.000 1.033 18 S CA 1.163 59.390 58.200 0.045 0.000 1.010 18 S CB -0.252 63.006 63.200 0.097 0.000 0.891 18 S HN 0.574 nan 8.310 nan 0.000 0.442 19 G N 0.877 109.688 108.800 0.018 0.000 3.213 19 G HA2 0.453 4.413 3.960 0.001 0.000 0.263 19 G HA3 0.453 4.413 3.960 0.001 0.000 0.263 19 G C 0.002 174.907 174.900 0.008 0.000 0.829 19 G CA -0.165 44.940 45.100 0.009 0.000 1.983 19 G HN 0.532 nan 8.290 nan 0.000 0.616 20 M N 1.008 120.616 119.600 0.013 0.000 3.592 20 M HA 0.210 4.691 4.480 0.001 0.000 0.539 20 M C -0.719 175.590 176.300 0.015 0.000 1.597 20 M CA -0.108 55.199 55.300 0.012 0.000 0.862 20 M CB 0.272 32.878 32.600 0.010 0.000 2.096 20 M HN 0.127 nan 8.290 nan 0.000 0.727 21 I N 3.825 124.406 120.570 0.019 0.000 2.496 21 I HA 0.250 4.421 4.170 0.001 0.000 0.285 21 I C -1.923 174.205 176.117 0.020 0.000 1.080 21 I CA -1.570 59.744 61.300 0.023 0.000 1.404 21 I CB 0.415 38.435 38.000 0.033 0.000 1.403 21 I HN 0.072 nan 8.210 nan 0.000 0.539 22 P HA 0.017 nan 4.420 nan 0.000 0.264 22 P C -0.552 176.758 177.300 0.016 0.000 1.193 22 P CA -0.125 62.984 63.100 0.016 0.000 0.763 22 P CB 0.314 32.023 31.700 0.016 0.000 0.810 23 E N 1.775 121.982 120.200 0.012 0.000 2.558 23 E HA 0.169 4.520 4.350 0.001 0.000 0.255 23 E C 1.127 177.735 176.600 0.013 0.000 0.968 23 E CA 1.078 57.485 56.400 0.012 0.000 0.939 23 E CB -0.182 29.522 29.700 0.008 0.000 0.921 23 E HN 0.816 nan 8.360 nan 0.000 0.477 24 G N 3.121 111.930 108.800 0.016 0.000 2.148 24 G HA2 -0.237 3.724 3.960 0.001 0.000 0.203 24 G HA3 -0.237 3.724 3.960 0.001 0.000 0.203 24 G C 0.004 174.918 174.900 0.023 0.000 0.993 24 G CA -0.061 45.049 45.100 0.017 0.000 0.661 24 G HN 0.430 nan 8.290 nan 0.000 0.518 25 K N 0.042 120.459 120.400 0.028 0.000 2.482 25 K HA 0.705 5.026 4.320 0.001 0.000 0.257 25 K C -0.088 176.542 176.600 0.049 0.000 0.969 25 K CA -0.266 56.044 56.287 0.038 0.000 0.842 25 K CB 1.961 34.482 32.500 0.035 0.000 1.359 25 K HN 0.240 nan 8.250 nan 0.000 0.441 26 T N -1.157 113.437 114.554 0.067 0.000 2.940 26 T HA 0.234 4.584 4.350 0.001 0.000 0.288 26 T C 0.800 175.562 174.700 0.103 0.000 1.033 26 T CA -0.885 61.268 62.100 0.089 0.000 1.033 26 T CB 1.213 70.143 68.868 0.103 0.000 1.079 26 T HN 0.437 nan 8.240 nan 0.000 0.496 27 L N 0.520 121.808 121.223 0.109 0.000 2.131 27 L HA 0.028 4.369 4.340 0.001 0.000 0.210 27 L C 2.069 179.000 176.870 0.101 0.000 1.092 27 L CA 1.611 56.504 54.840 0.089 0.000 0.759 27 L CB -1.212 40.898 42.059 0.085 0.000 0.903 27 L HN 0.844 nan 8.230 nan 0.000 0.435 28 Y N -0.203 120.105 120.300 0.013 0.000 2.133 28 Y HA -0.052 4.498 4.550 0.001 0.000 0.287 28 Y C 2.340 178.241 175.900 0.001 0.000 1.134 28 Y CA 1.787 59.890 58.100 0.006 0.000 1.133 28 Y CB -0.666 37.801 38.460 0.012 0.000 0.987 28 Y HN 0.200 nan 8.280 nan 0.000 0.502 29 G N 0.130 109.112 108.800 0.302 0.000 2.491 29 G HA2 -0.304 3.656 3.960 0.001 0.000 0.218 29 G HA3 -0.304 3.656 3.960 0.001 0.000 0.218 29 G C 1.414 176.348 174.900 0.056 0.000 1.180 29 G CA 1.179 46.389 45.100 0.183 0.000 0.774 29 G HN 0.347 nan 8.290 nan 0.000 0.562 30 Q N 0.194 120.016 119.800 0.036 0.000 1.967 30 Q HA -0.061 4.279 4.340 0.001 0.000 0.202 30 Q C 3.001 178.971 176.000 -0.051 0.000 0.985 30 Q CA 1.277 57.079 55.803 -0.002 0.000 0.839 30 Q CB -1.254 27.488 28.738 0.007 0.000 0.906 30 Q HN 0.362 nan 8.270 nan 0.000 0.423 31 V N 1.570 121.437 119.914 -0.079 0.000 2.828 31 V HA -0.239 3.882 4.120 0.001 0.000 0.260 31 V C 2.216 178.177 176.094 -0.222 0.000 1.101 31 V CA 1.914 64.132 62.300 -0.136 0.000 1.123 31 V CB -0.605 31.129 31.823 -0.148 0.000 0.704 31 V HN 0.419 nan 8.190 nan 0.000 0.493 32 E N 0.786 120.841 120.200 -0.241 0.000 2.014 32 E HA -0.107 4.244 4.350 0.001 0.000 0.190 32 E C 2.232 178.727 176.600 -0.176 0.000 0.980 32 E CA 0.962 57.199 56.400 -0.272 0.000 0.807 32 E CB -0.291 29.295 29.700 -0.189 0.000 0.770 32 E HN 0.482 nan 8.360 nan 0.000 0.451 33 A N 0.426 123.197 122.820 -0.082 0.000 2.194 33 A HA -0.112 4.209 4.320 0.001 0.000 0.220 33 A C 2.058 179.608 177.584 -0.057 0.000 1.162 33 A CA 1.619 53.630 52.037 -0.044 0.000 0.674 33 A CB -0.786 18.207 19.000 -0.011 0.000 0.789 33 A HN 0.455 nan 8.150 nan 0.000 0.470 34 G N -1.152 107.594 108.800 -0.090 0.000 2.656 34 G HA2 0.160 4.120 3.960 0.001 0.000 0.211 34 G HA3 0.160 4.120 3.960 0.001 0.000 0.211 34 G C 1.337 176.174 174.900 -0.104 0.000 1.137 34 G CA 0.393 45.446 45.100 -0.077 0.000 0.802 34 G HN 0.412 nan 8.290 nan 0.000 0.527 35 L N 0.039 121.147 121.223 -0.192 0.000 2.313 35 L HA 0.045 4.386 4.340 0.001 0.000 0.214 35 L C 2.775 179.563 176.870 -0.138 0.000 1.119 35 L CA 0.603 55.290 54.840 -0.255 0.000 0.809 35 L CB -0.081 41.627 42.059 -0.584 0.000 0.933 35 L HN 0.228 nan 8.230 nan 0.000 0.449 36 Q N -0.116 119.629 119.800 -0.091 0.000 2.435 36 Q HA 0.006 4.346 4.340 0.001 0.000 0.207 36 Q C 0.476 176.488 176.000 0.020 0.000 0.956 36 Q CA 0.581 56.403 55.803 0.031 0.000 0.917 36 Q CB 0.243 29.008 28.738 0.044 0.000 0.997 36 Q HN 0.557 nan 8.270 nan 0.000 0.497 37 N N -1.151 117.545 118.700 -0.007 0.000 2.387 37 N HA 0.181 4.921 4.740 0.001 0.000 0.259 37 N C 0.187 175.692 175.510 -0.007 0.000 1.369 37 N CA 0.591 53.640 53.050 -0.001 0.000 0.867 37 N CB 2.073 40.559 38.487 -0.002 0.000 1.341 37 N HN 0.212 nan 8.380 nan 0.000 0.495 38 G N 0.797 109.588 108.800 -0.014 0.000 1.674 38 G HA2 -0.125 3.836 3.960 0.001 0.000 0.192 38 G HA3 -0.125 3.836 3.960 0.001 0.000 0.192 38 G C 0.451 175.330 174.900 -0.035 0.000 1.551 38 G CA -0.043 45.047 45.100 -0.018 0.000 1.320 38 G HN 0.520 nan 8.290 nan 0.000 0.432 39 V N 1.560 121.456 119.914 -0.031 0.000 5.596 39 V HA 0.035 4.156 4.120 0.001 0.000 0.137 39 V C 1.917 177.973 176.094 -0.063 0.000 0.735 39 V CA 3.266 65.545 62.300 -0.034 0.000 0.525 39 V CB -1.784 30.011 31.823 -0.046 0.000 0.151 39 V HN 2.358 nan 8.190 nan 0.000 0.341 40 T N -0.235 114.275 114.554 -0.073 0.000 3.215 40 T HA 0.492 4.843 4.350 0.001 0.000 0.254 40 T C 0.216 174.782 174.700 -0.223 0.000 1.149 40 T CA 0.916 62.937 62.100 -0.131 0.000 1.042 40 T CB 0.187 68.982 68.868 -0.123 0.000 0.966 40 T HN 1.646 nan 8.240 nan 0.000 0.534 41 L N 0.390 121.495 121.223 -0.195 0.000 2.545 41 L HA 0.672 5.013 4.340 0.001 0.000 0.258 41 L C -1.748 175.065 176.870 -0.096 0.000 0.942 41 L CA -0.964 53.699 54.840 -0.295 0.000 0.855 41 L CB 2.419 44.111 42.059 -0.612 0.000 1.374 41 L HN -0.033 nan 8.230 nan 0.000 0.411 42 V N 3.710 123.600 119.914 -0.041 0.000 2.525 42 V HA 0.525 4.646 4.120 0.001 0.000 0.299 42 V C -0.660 175.560 176.094 0.209 0.000 1.034 42 V CA -0.524 61.841 62.300 0.108 0.000 0.863 42 V CB 1.698 33.539 31.823 0.030 0.000 0.999 42 V HN 0.817 nan 8.190 nan 0.000 0.423 43 Q N 4.670 124.657 119.800 0.310 0.000 2.293 43 Q HA 0.611 4.952 4.340 0.001 0.000 0.261 43 Q C -1.202 174.889 176.000 0.152 0.000 0.960 43 Q CA -0.612 55.350 55.803 0.266 0.000 0.882 43 Q CB 1.699 30.597 28.738 0.267 0.000 1.275 43 Q HN 0.736 nan 8.270 nan 0.000 0.445 44 I N 4.137 124.806 120.570 0.165 0.000 2.342 44 I HA 0.320 4.490 4.170 0.001 0.000 0.291 44 I C 0.039 176.241 176.117 0.141 0.000 1.010 44 I CA -0.274 61.111 61.300 0.141 0.000 1.308 44 I CB 1.057 39.182 38.000 0.208 0.000 1.400 44 I HN 0.533 nan 8.210 nan 0.000 0.488 45 R N 5.789 126.306 120.500 0.027 0.000 2.422 45 R HA 0.300 4.641 4.340 0.001 0.000 0.307 45 R C -1.138 175.058 176.300 -0.172 0.000 1.004 45 R CA -0.468 55.623 56.100 -0.016 0.000 0.882 45 R CB 0.947 31.245 30.300 -0.002 0.000 1.164 45 R HN 0.474 nan 8.270 nan 0.000 0.489 46 E N 3.852 123.825 120.200 -0.379 0.000 2.207 46 E HA 0.156 4.507 4.350 0.001 0.000 0.250 46 E C -0.284 176.172 176.600 -0.240 0.000 0.890 46 E CA -0.543 55.562 56.400 -0.492 0.000 0.749 46 E CB 1.740 30.764 29.700 -1.127 0.000 1.193 46 E HN 0.412 nan 8.360 nan 0.000 0.423 47 K N 0.999 121.341 120.400 -0.095 0.000 2.418 47 K HA 0.033 4.353 4.320 0.001 0.000 0.195 47 K C 0.128 176.728 176.600 0.000 0.000 1.035 47 K CA 0.613 56.891 56.287 -0.015 0.000 1.003 47 K CB 0.610 33.111 32.500 0.002 0.000 0.793 47 K HN 0.313 nan 8.250 nan 0.000 0.494 48 D N -1.035 119.353 120.400 -0.020 0.000 2.348 48 D HA 0.117 4.758 4.640 0.001 0.000 0.283 48 D C 0.211 176.526 176.300 0.024 0.000 1.096 48 D CA 0.031 54.035 54.000 0.006 0.000 0.863 48 D CB 0.455 41.253 40.800 -0.002 0.000 1.465 48 D HN -0.036 nan 8.370 nan 0.000 0.515 49 A N 0.952 123.788 122.820 0.027 0.000 2.386 49 A HA 0.156 4.476 4.320 0.001 0.000 0.246 49 A C 0.133 177.819 177.584 0.171 0.000 1.089 49 A CA -0.039 52.065 52.037 0.112 0.000 0.790 49 A CB 0.231 19.410 19.000 0.298 0.000 1.042 49 A HN -0.116 nan 8.150 nan 0.000 0.497 50 D N 0.782 121.298 120.400 0.194 0.000 2.458 50 D HA 0.098 4.738 4.640 0.001 0.000 0.243 50 D C 1.563 178.032 176.300 0.282 0.000 1.146 50 D CA 1.174 55.291 54.000 0.196 0.000 0.877 50 D CB 0.993 41.886 40.800 0.156 0.000 1.176 50 D HN 0.659 nan 8.370 nan 0.000 0.461 51 T N 0.433 115.128 114.554 0.235 0.000 3.219 51 T HA -0.148 4.203 4.350 0.001 0.000 0.264 51 T C 1.235 176.048 174.700 0.189 0.000 1.178 51 T CA 1.052 63.306 62.100 0.256 0.000 1.057 51 T CB 0.078 69.039 68.868 0.155 0.000 0.919 51 T HN 0.382 nan 8.240 nan 0.000 0.545 52 K N -0.726 119.796 120.400 0.203 0.000 2.216 52 K HA 0.169 4.489 4.320 0.001 0.000 0.207 52 K C 1.761 178.482 176.600 0.202 0.000 1.041 52 K CA 0.203 56.585 56.287 0.158 0.000 0.966 52 K CB -0.414 32.166 32.500 0.133 0.000 0.955 52 K HN 0.227 nan 8.250 nan 0.000 0.468 53 F N 1.538 121.556 119.950 0.114 0.000 2.184 53 F HA -0.245 4.283 4.527 0.001 0.000 0.301 53 F C 1.766 177.675 175.800 0.181 0.000 1.076 53 F CA 1.299 59.366 58.000 0.110 0.000 1.295 53 F CB -0.329 38.715 39.000 0.073 0.000 1.026 53 F HN 0.136 nan 8.300 nan 0.000 0.494 54 F N 1.347 121.259 119.950 -0.063 0.000 2.065 54 F HA -0.247 4.280 4.527 0.001 0.000 0.298 54 F C 2.177 177.884 175.800 -0.156 0.000 1.112 54 F CA 1.817 59.737 58.000 -0.134 0.000 1.212 54 F CB -1.075 37.934 39.000 0.016 0.000 0.975 54 F HN 0.035 nan 8.300 nan 0.000 0.476 55 I N -0.164 120.467 120.570 0.102 0.000 2.286 55 I HA -0.274 3.896 4.170 0.001 0.000 0.248 55 I C 2.255 178.359 176.117 -0.022 0.000 1.115 55 I CA 1.433 62.717 61.300 -0.027 0.000 1.392 55 I CB -0.572 37.401 38.000 -0.045 0.000 1.065 55 I HN 0.214 nan 8.210 nan 0.000 0.418 56 E N 0.612 120.790 120.200 -0.037 0.000 2.047 56 E HA -0.263 4.088 4.350 0.001 0.000 0.191 56 E C 2.100 178.641 176.600 -0.099 0.000 0.987 56 E CA 1.178 57.546 56.400 -0.053 0.000 0.799 56 E CB -0.099 29.588 29.700 -0.022 0.000 0.752 56 E HN 0.458 nan 8.360 nan 0.000 0.449 57 E N 0.509 120.566 120.200 -0.238 0.000 2.152 57 E HA -0.137 4.214 4.350 0.001 0.000 0.192 57 E C 1.966 178.531 176.600 -0.059 0.000 0.983 57 E CA 0.748 57.015 56.400 -0.222 0.000 0.818 57 E CB 0.036 29.431 29.700 -0.508 0.000 0.758 57 E HN 0.193 nan 8.360 nan 0.000 0.467 58 A N 1.165 123.985 122.820 0.001 0.000 1.898 58 A HA -0.092 4.228 4.320 0.001 0.000 0.216 58 A C 2.186 179.773 177.584 0.005 0.000 1.181 58 A CA 0.742 52.811 52.037 0.052 0.000 0.620 58 A CB -0.535 18.522 19.000 0.095 0.000 0.819 58 A HN 0.282 nan 8.150 nan 0.000 0.442 59 L N -0.802 120.414 121.223 -0.012 0.000 2.046 59 L HA -0.234 4.107 4.340 0.001 0.000 0.208 59 L C 2.912 179.781 176.870 -0.001 0.000 1.077 59 L CA 1.805 56.633 54.840 -0.019 0.000 0.747 59 L CB -0.508 41.542 42.059 -0.016 0.000 0.896 59 L HN 0.593 nan 8.230 nan 0.000 0.432 60 Q N 0.311 120.123 119.800 0.021 0.000 2.181 60 Q HA -0.212 4.129 4.340 0.001 0.000 0.205 60 Q C 2.135 178.212 176.000 0.128 0.000 0.980 60 Q CA 1.485 57.334 55.803 0.075 0.000 0.862 60 Q CB 0.079 28.863 28.738 0.077 0.000 0.905 60 Q HN 0.558 nan 8.270 nan 0.000 0.429 61 I N -0.019 120.588 120.570 0.062 0.000 3.427 61 I HA -0.100 4.070 4.170 0.001 0.000 0.288 61 I C 2.184 178.278 176.117 -0.039 0.000 1.249 61 I CA 0.289 61.596 61.300 0.011 0.000 1.421 61 I CB 0.030 38.024 38.000 -0.009 0.000 1.086 61 I HN 0.105 nan 8.210 nan 0.000 0.448 62 K N 1.157 121.517 120.400 -0.066 0.000 2.366 62 K HA -0.107 4.213 4.320 0.001 0.000 0.198 62 K C 1.606 178.079 176.600 -0.212 0.000 1.044 62 K CA 0.951 57.118 56.287 -0.200 0.000 0.973 62 K CB 0.260 32.605 32.500 -0.260 0.000 0.767 62 K HN 0.339 nan 8.250 nan 0.000 0.475 63 E N 0.689 120.855 120.200 -0.056 0.000 2.060 63 E HA -0.111 4.240 4.350 0.001 0.000 0.189 63 E C 1.979 178.629 176.600 0.082 0.000 0.974 63 E CA 0.427 56.840 56.400 0.021 0.000 0.808 63 E CB 0.015 29.752 29.700 0.062 0.000 0.768 63 E HN 0.251 nan 8.360 nan 0.000 0.453 64 L N 0.873 122.145 121.223 0.081 0.000 2.042 64 L HA -0.242 4.099 4.340 0.001 0.000 0.210 64 L C 2.393 179.310 176.870 0.078 0.000 1.076 64 L CA 1.271 56.143 54.840 0.052 0.000 0.749 64 L CB -0.270 41.653 42.059 -0.225 0.000 0.893 64 L HN 0.357 nan 8.230 nan 0.000 0.432 65 C N -0.437 118.880 119.300 0.028 0.000 2.581 65 C HA -0.202 4.259 4.460 0.001 0.000 0.287 65 C C 2.580 177.720 174.990 0.249 0.000 1.241 65 C CA 0.865 59.936 59.018 0.088 0.000 1.747 65 C CB -1.178 26.601 27.740 0.066 0.000 2.090 65 C HN 0.600 nan 8.230 nan 0.000 0.460 66 H N 0.885 120.016 119.070 0.102 0.000 2.431 66 H HA -0.128 4.428 4.556 0.001 0.000 0.297 66 H C 2.231 177.611 175.328 0.087 0.000 1.115 66 H CA 1.811 57.924 56.048 0.109 0.000 1.277 66 H CB -0.966 28.826 29.762 0.050 0.000 1.372 66 H HN 0.547 nan 8.280 nan 0.000 0.516 67 A N 0.505 123.456 122.820 0.218 0.000 1.873 67 A HA -0.236 4.084 4.320 0.001 0.000 0.218 67 A C 1.618 179.237 177.584 0.058 0.000 1.193 67 A CA 2.013 54.123 52.037 0.122 0.000 0.629 67 A CB -0.791 18.291 19.000 0.136 0.000 0.826 67 A HN 0.536 nan 8.150 nan 0.000 0.447 68 H N -1.219 117.877 119.070 0.043 0.000 2.547 68 H HA 0.136 4.693 4.556 0.001 0.000 0.274 68 H C 0.712 176.056 175.328 0.027 0.000 1.024 68 H CA 0.559 56.618 56.048 0.019 0.000 1.155 68 H CB -0.252 29.506 29.762 -0.006 0.000 1.344 68 H HN 0.634 nan 8.280 nan 0.000 0.598 69 N N -0.214 118.584 118.700 0.163 0.000 2.747 69 N HA -0.190 4.551 4.740 0.001 0.000 0.249 69 N C -0.902 174.700 175.510 0.154 0.000 1.107 69 N CA 0.778 53.938 53.050 0.182 0.000 0.707 69 N CB -1.227 37.321 38.487 0.103 0.000 1.054 69 N HN 0.276 nan 8.380 nan 0.000 0.555 70 V N -0.390 119.577 119.914 0.088 0.000 2.555 70 V HA 0.805 4.926 4.120 0.001 0.000 0.302 70 V C -2.226 173.784 176.094 -0.141 0.000 1.038 70 V CA -1.799 60.380 62.300 -0.201 0.000 0.887 70 V CB 1.797 33.523 31.823 -0.162 0.000 0.991 70 V HN 0.011 nan 8.190 nan 0.000 0.434 71 P HA 0.305 nan 4.420 nan 0.000 0.272 71 P C -1.306 176.012 177.300 0.031 0.000 1.240 71 P CA -0.206 62.764 63.100 -0.217 0.000 0.791 71 P CB 0.545 31.799 31.700 -0.743 0.000 0.978 72 L N 1.877 123.214 121.223 0.189 0.000 2.365 72 L HA 0.552 4.893 4.340 0.001 0.000 0.273 72 L C -1.102 175.886 176.870 0.196 0.000 1.000 72 L CA -0.317 54.612 54.840 0.148 0.000 0.819 72 L CB 0.909 43.028 42.059 0.099 0.000 1.284 72 L HN 0.229 nan 8.230 nan 0.000 0.418 73 I N 5.094 125.789 120.570 0.207 0.000 2.740 73 I HA 0.501 4.671 4.170 0.001 0.000 0.303 73 I C -0.838 175.429 176.117 0.249 0.000 1.044 73 I CA -0.735 60.721 61.300 0.260 0.000 1.064 73 I CB 2.247 40.454 38.000 0.345 0.000 1.249 73 I HN 0.499 nan 8.210 nan 0.000 0.433 74 I N 4.186 124.902 120.570 0.244 0.000 2.689 74 I HA 0.373 4.544 4.170 0.001 0.000 0.299 74 I C -0.568 175.706 176.117 0.262 0.000 1.059 74 I CA -0.441 61.002 61.300 0.239 0.000 1.055 74 I CB 2.203 40.292 38.000 0.148 0.000 1.243 74 I HN 0.576 nan 8.210 nan 0.000 0.425 75 N N 4.134 123.018 118.700 0.307 0.000 2.519 75 N HA 0.241 4.982 4.740 0.001 0.000 0.291 75 N C -1.825 173.862 175.510 0.296 0.000 1.107 75 N CA -0.480 52.741 53.050 0.284 0.000 0.904 75 N CB 1.749 40.405 38.487 0.280 0.000 1.500 75 N HN 0.688 nan 8.380 nan 0.000 0.510 76 D N 1.838 122.386 120.400 0.246 0.000 2.891 76 D HA 0.208 4.849 4.640 0.001 0.000 0.332 76 D C -0.421 175.961 176.300 0.136 0.000 1.369 76 D CA -0.329 53.779 54.000 0.180 0.000 0.827 76 D CB 0.286 41.172 40.800 0.142 0.000 1.141 76 D HN 0.239 nan 8.370 nan 0.000 0.464 77 R N 0.841 121.420 120.500 0.132 0.000 2.235 77 R HA 0.286 4.627 4.340 0.001 0.000 0.338 77 R C 0.416 176.713 176.300 -0.005 0.000 1.087 77 R CA -0.562 55.564 56.100 0.044 0.000 0.948 77 R CB 0.774 31.064 30.300 -0.018 0.000 1.099 77 R HN 0.100 nan 8.270 nan 0.000 0.483 78 I N 2.519 123.097 120.570 0.013 0.000 2.163 78 I HA -0.364 3.807 4.170 0.001 0.000 0.243 78 I C 1.992 178.097 176.117 -0.020 0.000 1.085 78 I CA 1.753 63.057 61.300 0.005 0.000 1.347 78 I CB -0.323 37.682 38.000 0.008 0.000 1.044 78 I HN 0.602 nan 8.210 nan 0.000 0.408 79 D N 0.523 120.905 120.400 -0.030 0.000 2.106 79 D HA -0.186 4.455 4.640 0.001 0.000 0.191 79 D C 2.113 178.366 176.300 -0.078 0.000 0.997 79 D CA 1.613 55.587 54.000 -0.043 0.000 0.834 79 D CB -1.269 39.510 40.800 -0.035 0.000 0.956 79 D HN 0.228 nan 8.370 nan 0.000 0.448 80 V N 0.996 120.824 119.914 -0.144 0.000 2.453 80 V HA -0.246 3.875 4.120 0.001 0.000 0.252 80 V C 2.720 178.716 176.094 -0.163 0.000 1.068 80 V CA 1.901 64.058 62.300 -0.237 0.000 1.070 80 V CB -1.035 30.464 31.823 -0.541 0.000 0.664 80 V HN 0.457 nan 8.190 nan 0.000 0.461 81 A N -0.754 122.008 122.820 -0.097 0.000 1.855 81 A HA -0.219 4.102 4.320 0.001 0.000 0.215 81 A C 2.241 179.818 177.584 -0.011 0.000 1.191 81 A CA 2.148 54.168 52.037 -0.028 0.000 0.613 81 A CB -0.448 18.564 19.000 0.020 0.000 0.829 81 A HN 0.465 nan 8.150 nan 0.000 0.442 82 M N -0.495 119.097 119.600 -0.014 0.000 2.065 82 M HA -0.180 4.301 4.480 0.001 0.000 0.259 82 M C 2.567 178.859 176.300 -0.014 0.000 1.069 82 M CA 1.551 56.848 55.300 -0.005 0.000 1.110 82 M CB -0.485 32.110 32.600 -0.007 0.000 1.328 82 M HN 0.487 nan 8.290 nan 0.000 0.405 83 A N 0.724 123.524 122.820 -0.033 0.000 1.927 83 A HA -0.214 4.107 4.320 0.001 0.000 0.220 83 A C 1.938 179.503 177.584 -0.031 0.000 1.185 83 A CA 2.237 54.252 52.037 -0.037 0.000 0.639 83 A CB -1.095 17.870 19.000 -0.059 0.000 0.820 83 A HN 0.754 nan 8.150 nan 0.000 0.451 84 I N -5.257 115.291 120.570 -0.036 0.000 4.018 84 I HA 0.536 4.706 4.170 0.001 0.000 0.337 84 I C 0.932 177.045 176.117 -0.006 0.000 1.327 84 I CA 0.596 61.879 61.300 -0.028 0.000 1.100 84 I CB 0.178 38.150 38.000 -0.047 0.000 1.025 84 I HN 0.479 nan 8.210 nan 0.000 0.396 85 G N 2.035 110.843 108.800 0.013 0.000 2.204 85 G HA2 -0.149 3.812 3.960 0.001 0.000 0.244 85 G HA3 -0.149 3.812 3.960 0.001 0.000 0.244 85 G C 0.336 175.285 174.900 0.081 0.000 1.062 85 G CA -0.008 45.118 45.100 0.044 0.000 0.798 85 G HN 0.941 nan 8.290 nan 0.000 0.496 86 A N -0.450 122.415 122.820 0.075 0.000 2.406 86 A HA 0.554 4.875 4.320 0.001 0.000 0.243 86 A C 1.203 178.896 177.584 0.181 0.000 1.082 86 A CA 0.684 52.792 52.037 0.118 0.000 0.786 86 A CB 0.385 19.443 19.000 0.097 0.000 1.029 86 A HN 0.264 nan 8.150 nan 0.000 0.495 87 D N 0.125 120.679 120.400 0.257 0.000 2.346 87 D HA 0.292 4.932 4.640 0.001 0.000 0.206 87 D C 0.735 177.239 176.300 0.339 0.000 1.001 87 D CA 1.519 55.727 54.000 0.347 0.000 0.871 87 D CB 0.457 41.534 40.800 0.461 0.000 0.943 87 D HN 0.798 nan 8.370 nan 0.000 0.518 88 G N 0.732 109.690 108.800 0.262 0.000 2.519 88 G HA2 0.466 4.427 3.960 0.001 0.000 0.292 88 G HA3 0.466 4.427 3.960 0.001 0.000 0.292 88 G C -1.557 173.478 174.900 0.225 0.000 1.507 88 G CA -0.859 44.371 45.100 0.218 0.000 0.806 88 G HN 0.081 nan 8.290 nan 0.000 0.523 89 I N -1.343 119.356 120.570 0.215 0.000 2.608 89 I HA 0.772 4.942 4.170 0.001 0.000 0.295 89 I C -1.309 174.976 176.117 0.281 0.000 1.049 89 I CA -1.117 60.317 61.300 0.223 0.000 1.063 89 I CB 2.506 40.588 38.000 0.137 0.000 1.248 89 I HN 0.589 nan 8.210 nan 0.000 0.424 90 H N 5.478 124.679 119.070 0.218 0.000 2.504 90 H HA 0.692 5.249 4.556 0.001 0.000 0.322 90 H C -0.982 174.431 175.328 0.142 0.000 1.055 90 H CA -0.350 55.811 56.048 0.188 0.000 1.231 90 H CB 1.554 31.461 29.762 0.243 0.000 1.417 90 H HN 0.676 nan 8.280 nan 0.000 0.472 91 V N 3.107 122.860 119.914 -0.268 0.000 2.960 91 V HA 0.922 5.043 4.120 0.001 0.000 0.315 91 V C 0.201 176.231 176.094 -0.106 0.000 1.087 91 V CA -0.152 62.102 62.300 -0.077 0.000 0.982 91 V CB 1.719 33.566 31.823 0.040 0.000 1.039 91 V HN 0.863 nan 8.190 nan 0.000 0.437 92 G N 0.998 109.799 108.800 0.001 0.000 2.613 92 G HA2 0.448 4.409 3.960 0.001 0.000 0.303 92 G HA3 0.448 4.409 3.960 0.001 0.000 0.303 92 G C -0.040 174.854 174.900 -0.010 0.000 1.312 92 G CA -0.182 44.888 45.100 -0.051 0.000 1.036 92 G HN 0.859 nan 8.290 nan 0.000 0.513 93 Q N -1.162 118.560 119.800 -0.131 0.000 2.378 93 Q HA 0.035 4.376 4.340 0.001 0.000 0.205 93 Q C 0.756 176.766 176.000 0.017 0.000 0.954 93 Q CA 1.123 56.863 55.803 -0.105 0.000 0.901 93 Q CB 0.301 28.900 28.738 -0.231 0.000 0.981 93 Q HN 0.485 nan 8.270 nan 0.000 0.483 94 D N 0.150 120.558 120.400 0.015 0.000 2.462 94 D HA 0.109 4.749 4.640 0.001 0.000 0.221 94 D C -0.667 175.660 176.300 0.045 0.000 1.173 94 D CA 0.068 54.084 54.000 0.026 0.000 0.831 94 D CB 0.411 41.217 40.800 0.009 0.000 1.001 94 D HN 0.193 nan 8.370 nan 0.000 0.499 95 D N 0.016 120.457 120.400 0.069 0.000 2.506 95 D HA 0.173 4.814 4.640 0.001 0.000 0.254 95 D C 0.518 176.862 176.300 0.074 0.000 1.089 95 D CA -0.704 53.337 54.000 0.069 0.000 1.050 95 D CB 1.237 42.081 40.800 0.073 0.000 1.221 95 D HN -0.075 nan 8.370 nan 0.000 0.589 96 M N 1.229 120.861 119.600 0.052 0.000 2.255 96 M HA 0.032 4.512 4.480 0.001 0.000 0.356 96 M C -2.256 174.059 176.300 0.025 0.000 1.338 96 M CA -0.296 55.023 55.300 0.032 0.000 0.962 96 M CB 0.376 32.987 32.600 0.017 0.000 1.877 96 M HN -0.059 nan 8.290 nan 0.000 0.463 97 P HA -0.073 nan 4.420 nan 0.000 0.266 97 P C 0.622 177.862 177.300 -0.101 0.000 1.193 97 P CA -0.207 62.878 63.100 -0.025 0.000 0.770 97 P CB 0.330 32.016 31.700 -0.023 0.000 0.836 98 I N 4.878 125.316 120.570 -0.220 0.000 2.163 98 I HA -0.150 4.021 4.170 0.001 0.000 0.243 98 I C -0.536 175.468 176.117 -0.188 0.000 1.085 98 I CA 2.126 63.251 61.300 -0.291 0.000 1.347 98 I CB -2.817 34.868 38.000 -0.524 0.000 1.044 98 I HN 0.397 nan 8.210 nan 0.000 0.408 99 P HA -0.200 nan 4.420 nan 0.000 0.216 99 P C 2.054 179.304 177.300 -0.084 0.000 1.153 99 P CA 1.839 64.870 63.100 -0.116 0.000 0.858 99 P CB -0.140 31.503 31.700 -0.095 0.000 0.789 100 M N -1.381 118.177 119.600 -0.069 0.000 2.159 100 M HA -0.104 4.377 4.480 0.001 0.000 0.263 100 M C 2.380 178.653 176.300 -0.045 0.000 1.063 100 M CA 1.603 56.874 55.300 -0.047 0.000 1.110 100 M CB -0.697 31.883 32.600 -0.033 0.000 1.374 100 M HN -0.124 nan 8.290 nan 0.000 0.411 101 I N -0.561 119.975 120.570 -0.057 0.000 2.202 101 I HA -0.265 3.905 4.170 0.001 0.000 0.242 101 I C 2.638 178.727 176.117 -0.046 0.000 1.091 101 I CA 1.015 62.288 61.300 -0.046 0.000 1.368 101 I CB -0.443 37.524 38.000 -0.056 0.000 1.058 101 I HN 0.202 nan 8.210 nan 0.000 0.410 102 R N 1.684 122.145 120.500 -0.065 0.000 2.096 102 R HA -0.173 4.168 4.340 0.001 0.000 0.235 102 R C 2.143 178.414 176.300 -0.047 0.000 1.127 102 R CA 1.602 57.665 56.100 -0.062 0.000 0.968 102 R CB -0.506 29.742 30.300 -0.088 0.000 0.861 102 R HN 0.217 nan 8.270 nan 0.000 0.440 103 K N 0.004 120.376 120.400 -0.047 0.000 2.147 103 K HA -0.075 4.246 4.320 0.001 0.000 0.205 103 K C 1.709 178.294 176.600 -0.026 0.000 1.049 103 K CA 1.285 57.550 56.287 -0.036 0.000 0.936 103 K CB -0.002 32.477 32.500 -0.036 0.000 0.722 103 K HN 0.256 nan 8.250 nan 0.000 0.446 104 L N 0.413 121.622 121.223 -0.024 0.000 2.209 104 L HA -0.059 4.281 4.340 0.001 0.000 0.207 104 L C 2.241 179.105 176.870 -0.011 0.000 1.094 104 L CA 0.583 55.414 54.840 -0.016 0.000 0.790 104 L CB -0.174 41.877 42.059 -0.013 0.000 0.932 104 L HN 0.057 nan 8.230 nan 0.000 0.447 105 V N -3.277 116.630 119.914 -0.011 0.000 3.431 105 V HA 0.464 4.585 4.120 0.001 0.000 0.253 105 V C 1.077 177.169 176.094 -0.002 0.000 1.184 105 V CA 0.127 62.426 62.300 -0.002 0.000 1.104 105 V CB -0.747 31.079 31.823 0.006 0.000 0.799 105 V HN 0.397 nan 8.190 nan 0.000 0.462 106 G N 1.432 110.223 108.800 -0.014 0.000 2.870 106 G HA2 -0.130 3.830 3.960 0.001 0.000 0.685 106 G HA3 -0.130 3.830 3.960 0.001 0.000 0.685 106 G C -2.290 172.602 174.900 -0.013 0.000 1.556 106 G CA -0.339 44.752 45.100 -0.016 0.000 1.042 106 G HN 0.547 nan 8.290 nan 0.000 0.592 107 P HA 0.389 nan 4.420 nan 0.000 0.269 107 P C 1.021 178.324 177.300 0.004 0.000 1.211 107 P CA 2.081 65.169 63.100 -0.020 0.000 0.781 107 P CB 0.215 31.896 31.700 -0.032 0.000 0.877 108 D N -1.652 118.758 120.400 0.016 0.000 2.225 108 D HA -0.162 4.478 4.640 0.001 0.000 0.166 108 D C 0.257 176.604 176.300 0.078 0.000 0.952 108 D CA 0.742 54.771 54.000 0.049 0.000 1.000 108 D CB -1.823 39.005 40.800 0.047 0.000 1.087 108 D HN 0.515 nan 8.370 nan 0.000 0.509 109 M N 1.618 121.253 119.600 0.060 0.000 2.157 109 M HA 0.562 5.042 4.480 0.001 0.000 0.354 109 M C 0.140 176.467 176.300 0.045 0.000 1.170 109 M CA -0.499 54.849 55.300 0.081 0.000 1.060 109 M CB 1.726 34.371 32.600 0.076 0.000 1.615 109 M HN 0.265 nan 8.290 nan 0.000 0.460 110 V N 6.227 126.152 119.914 0.018 0.000 2.872 110 V HA 0.066 4.187 4.120 0.001 0.000 0.307 110 V C 0.155 176.297 176.094 0.080 0.000 1.072 110 V CA 0.548 62.819 62.300 -0.048 0.000 1.148 110 V CB 0.665 32.285 31.823 -0.337 0.000 0.954 110 V HN 0.698 nan 8.190 nan 0.000 0.490 111 I N 3.326 123.964 120.570 0.113 0.000 2.468 111 I HA 0.433 4.603 4.170 0.001 0.000 0.284 111 I C 0.620 176.768 176.117 0.051 0.000 1.038 111 I CA -0.287 61.068 61.300 0.091 0.000 1.083 111 I CB 1.715 39.705 38.000 -0.018 0.000 1.223 111 I HN 0.731 nan 8.210 nan 0.000 0.443 112 G N 4.784 113.604 108.800 0.033 0.000 2.444 112 G HA2 0.357 4.318 3.960 0.001 0.000 0.268 112 G HA3 0.357 4.318 3.960 0.001 0.000 0.268 112 G C -1.945 172.729 174.900 -0.375 0.000 1.203 112 G CA -0.055 44.739 45.100 -0.511 0.000 0.835 112 G HN 0.554 nan 8.290 nan 0.000 0.543 113 W N 0.841 121.770 121.300 -0.619 0.000 3.097 113 W HA 0.547 5.208 4.660 0.001 0.000 0.335 113 W C -0.492 175.844 176.519 -0.305 0.000 1.114 113 W CA -1.251 55.819 57.345 -0.459 0.000 1.231 113 W CB 1.991 31.304 29.460 -0.245 0.000 1.388 113 W HN 0.418 nan 8.180 nan 0.000 0.485 114 S N 3.344 118.818 115.700 -0.376 0.000 2.416 114 S HA 0.513 4.984 4.470 0.001 0.000 0.287 114 S C -0.617 173.721 174.600 -0.436 0.000 1.139 114 S CA -0.405 57.659 58.200 -0.227 0.000 1.058 114 S CB 0.280 63.436 63.200 -0.072 0.000 0.967 114 S HN 0.205 nan 8.310 nan 0.000 0.495 115 V N 2.907 122.644 119.914 -0.295 0.000 2.540 115 V HA 0.650 4.771 4.120 0.001 0.000 0.302 115 V C 0.971 176.960 176.094 -0.174 0.000 1.035 115 V CA -0.598 61.519 62.300 -0.304 0.000 0.873 115 V CB 1.721 33.408 31.823 -0.225 0.000 0.992 115 V HN 0.918 nan 8.190 nan 0.000 0.428 116 G N 2.797 111.536 108.800 -0.101 0.000 2.945 116 G HA2 0.334 4.294 3.960 0.001 0.000 0.225 116 G HA3 0.334 4.294 3.960 0.001 0.000 0.225 116 G C -0.121 174.544 174.900 -0.393 0.000 1.046 116 G CA 0.163 45.150 45.100 -0.188 0.000 0.842 116 G HN 0.439 nan 8.290 nan 0.000 0.543 117 F N -0.685 119.179 119.950 -0.143 0.000 2.593 117 F HA 0.442 4.970 4.527 0.001 0.000 0.320 117 F C -1.795 173.950 175.800 -0.092 0.000 1.060 117 F CA -2.295 55.641 58.000 -0.106 0.000 0.940 117 F CB 2.514 41.457 39.000 -0.095 0.000 1.268 117 F HN -0.234 nan 8.300 nan 0.000 0.475 118 P HA -0.079 nan 4.420 nan 0.000 0.219 118 P C 0.775 178.113 177.300 0.064 0.000 1.150 118 P CA 1.226 64.354 63.100 0.047 0.000 0.814 118 P CB 0.236 31.952 31.700 0.027 0.000 0.787 119 E N -0.072 120.182 120.200 0.090 0.000 2.267 119 E HA -0.184 4.166 4.350 0.001 0.000 0.197 119 E C 1.671 178.305 176.600 0.057 0.000 0.998 119 E CA 1.059 57.492 56.400 0.055 0.000 0.830 119 E CB -0.598 29.115 29.700 0.021 0.000 0.751 119 E HN 0.444 nan 8.360 nan 0.000 0.491 120 E N -0.527 119.707 120.200 0.056 0.000 2.318 120 E HA -0.023 4.327 4.350 0.001 0.000 0.193 120 E C 1.604 178.297 176.600 0.154 0.000 0.998 120 E CA 0.248 56.679 56.400 0.052 0.000 0.859 120 E CB 0.375 29.988 29.700 -0.146 0.000 0.812 120 E HN 0.066 nan 8.360 nan 0.000 0.492 121 V N 1.631 121.602 119.914 0.096 0.000 2.667 121 V HA -0.183 3.938 4.120 0.001 0.000 0.252 121 V C 1.470 177.624 176.094 0.100 0.000 1.065 121 V CA 1.436 63.794 62.300 0.097 0.000 1.083 121 V CB -0.267 31.571 31.823 0.024 0.000 0.692 121 V HN 0.203 nan 8.190 nan 0.000 0.468 122 D N 0.406 120.860 120.400 0.089 0.000 2.144 122 D HA -0.142 4.499 4.640 0.001 0.000 0.200 122 D C 2.201 178.562 176.300 0.102 0.000 0.978 122 D CA 1.266 55.312 54.000 0.077 0.000 0.833 122 D CB -0.005 40.830 40.800 0.058 0.000 0.961 122 D HN 0.582 nan 8.370 nan 0.000 0.470 123 E N 0.519 120.804 120.200 0.142 0.000 2.107 123 E HA -0.062 4.289 4.350 0.001 0.000 0.191 123 E C 2.308 178.986 176.600 0.129 0.000 0.982 123 E CA 0.062 56.548 56.400 0.143 0.000 0.809 123 E CB -0.100 29.723 29.700 0.205 0.000 0.756 123 E HN 0.214 nan 8.360 nan 0.000 0.459 124 L N 0.866 122.216 121.223 0.213 0.000 2.187 124 L HA -0.179 4.162 4.340 0.001 0.000 0.213 124 L C 1.995 178.987 176.870 0.204 0.000 1.100 124 L CA 1.219 56.158 54.840 0.165 0.000 0.765 124 L CB -0.001 42.232 42.059 0.290 0.000 0.904 124 L HN 0.005 nan 8.230 nan 0.000 0.437 125 S N -0.106 115.704 115.700 0.182 0.000 2.388 125 S HA -0.028 4.443 4.470 0.001 0.000 0.223 125 S C 2.019 176.743 174.600 0.207 0.000 1.034 125 S CA 1.136 59.477 58.200 0.236 0.000 0.963 125 S CB -0.131 63.140 63.200 0.119 0.000 0.827 125 S HN 0.583 nan 8.310 nan 0.000 0.481 126 K N 0.974 121.444 120.400 0.117 0.000 2.665 126 K HA 0.235 4.556 4.320 0.001 0.000 0.196 126 K C 1.222 177.840 176.600 0.030 0.000 1.021 126 K CA 0.681 57.009 56.287 0.069 0.000 1.066 126 K CB -1.070 31.459 32.500 0.048 0.000 0.849 126 K HN 0.482 nan 8.250 nan 0.000 0.500 127 M N -1.313 118.307 119.600 0.033 0.000 2.338 127 M HA 0.239 4.720 4.480 0.001 0.000 0.276 127 M C 1.072 177.295 176.300 -0.128 0.000 1.057 127 M CA 0.521 55.790 55.300 -0.051 0.000 1.079 127 M CB 0.850 33.395 32.600 -0.090 0.000 1.547 127 M HN 0.504 nan 8.290 nan 0.000 0.549 128 G N 2.024 110.750 108.800 -0.122 0.000 2.846 128 G HA2 -0.157 3.803 3.960 0.001 0.000 0.660 128 G HA3 -0.157 3.803 3.960 0.001 0.000 0.660 128 G C -2.989 171.267 174.900 -1.074 0.000 1.464 128 G CA -1.267 43.541 45.100 -0.486 0.000 0.891 128 G HN 0.069 nan 8.290 nan 0.000 0.552 129 P HA 0.220 nan 4.420 nan 0.000 0.272 129 P C 0.723 177.527 177.300 -0.828 0.000 1.243 129 P CA 1.078 63.130 63.100 -1.747 0.000 0.803 129 P CB 0.298 31.425 31.700 -0.954 0.000 0.974 130 D N -2.446 117.615 120.400 -0.566 0.000 2.705 130 D HA -0.180 4.461 4.640 0.001 0.000 0.187 130 D C 0.897 177.063 176.300 -0.223 0.000 1.015 130 D CA 1.382 55.215 54.000 -0.278 0.000 1.030 130 D CB -0.793 39.872 40.800 -0.225 0.000 1.100 130 D HN 0.080 nan 8.370 nan 0.000 0.439 131 M N -0.090 119.343 119.600 -0.279 0.000 2.087 131 M HA 0.153 4.634 4.480 0.001 0.000 0.233 131 M C 1.268 177.499 176.300 -0.116 0.000 1.211 131 M CA 0.834 56.019 55.300 -0.192 0.000 1.106 131 M CB -0.955 31.523 32.600 -0.202 0.000 1.125 131 M HN -0.111 nan 8.290 nan 0.000 0.438 132 V N 1.926 121.826 119.914 -0.023 0.000 2.607 132 V HA 0.118 4.239 4.120 0.001 0.000 0.289 132 V C 0.424 176.646 176.094 0.213 0.000 1.053 132 V CA -0.248 62.077 62.300 0.042 0.000 0.996 132 V CB 1.032 32.878 31.823 0.039 0.000 0.995 132 V HN 0.430 nan 8.190 nan 0.000 0.476 133 D N 1.527 122.024 120.400 0.163 0.000 2.455 133 D HA 0.153 4.794 4.640 0.001 0.000 0.228 133 D C -0.126 176.321 176.300 0.245 0.000 1.070 133 D CA 0.837 54.977 54.000 0.233 0.000 0.881 133 D CB 0.876 41.778 40.800 0.170 0.000 1.087 133 D HN 0.712 nan 8.370 nan 0.000 0.498 134 Y N 0.283 120.604 120.300 0.035 0.000 2.480 134 Y HA 0.487 5.038 4.550 0.001 0.000 0.329 134 Y C -1.486 174.449 175.900 0.060 0.000 1.127 134 Y CA -1.616 56.447 58.100 -0.061 0.000 1.037 134 Y CB 0.607 38.898 38.460 -0.281 0.000 1.320 134 Y HN -0.188 nan 8.280 nan 0.000 0.446 135 I N 1.232 121.755 120.570 -0.079 0.000 2.525 135 I HA 0.979 5.150 4.170 0.001 0.000 0.301 135 I C 0.061 176.185 176.117 0.012 0.000 0.992 135 I CA -1.134 60.111 61.300 -0.090 0.000 1.162 135 I CB 2.248 40.241 38.000 -0.011 0.000 1.332 135 I HN 0.985 nan 8.210 nan 0.000 0.458 136 G N 4.794 113.621 108.800 0.044 0.000 2.347 136 G HA2 0.504 4.465 3.960 0.001 0.000 0.314 136 G HA3 0.504 4.465 3.960 0.001 0.000 0.314 136 G C -0.228 174.656 174.900 -0.028 0.000 1.126 136 G CA -0.608 44.522 45.100 0.049 0.000 0.929 136 G HN 0.822 nan 8.290 nan 0.000 0.441 137 V N 2.749 122.630 119.914 -0.056 0.000 2.405 137 V HA 0.708 4.828 4.120 0.001 0.000 0.264 137 V C 1.105 177.119 176.094 -0.133 0.000 1.048 137 V CA 0.077 62.316 62.300 -0.102 0.000 0.966 137 V CB -0.084 31.673 31.823 -0.109 0.000 1.015 137 V HN 1.784 nan 8.190 nan 0.000 0.477 138 G N 5.197 113.907 108.800 -0.149 0.000 2.586 138 G HA2 -0.221 3.739 3.960 0.001 0.000 0.308 138 G HA3 -0.221 3.739 3.960 0.001 0.000 0.308 138 G C 0.106 174.919 174.900 -0.144 0.000 1.317 138 G CA 0.196 45.194 45.100 -0.171 0.000 0.922 138 G HN 1.491 nan 8.290 nan 0.000 0.551 139 T N 1.455 115.918 114.554 -0.152 0.000 2.874 139 T HA 0.502 4.853 4.350 0.001 0.000 0.321 139 T C 1.778 176.354 174.700 -0.206 0.000 1.075 139 T CA -0.287 61.734 62.100 -0.132 0.000 0.966 139 T CB 1.109 69.932 68.868 -0.075 0.000 1.001 139 T HN 0.518 nan 8.240 nan 0.000 0.476 140 L N 1.911 122.964 121.223 -0.283 0.000 2.046 140 L HA 0.082 4.423 4.340 0.001 0.000 0.208 140 L C 0.029 176.417 176.870 -0.803 0.000 1.077 140 L CA 1.560 56.045 54.840 -0.592 0.000 0.747 140 L CB -0.099 41.560 42.059 -0.668 0.000 0.896 140 L HN 0.467 nan 8.230 nan 0.000 0.432 141 F N -2.188 117.744 119.950 -0.030 0.000 2.613 141 F HA 0.446 4.973 4.527 0.001 0.000 0.314 141 F C -2.252 173.556 175.800 0.013 0.000 1.075 141 F CA -3.029 54.972 58.000 0.002 0.000 0.945 141 F CB 0.220 39.234 39.000 0.023 0.000 1.310 141 F HN -0.382 nan 8.300 nan 0.000 0.467 142 P HA 0.117 nan 4.420 nan 0.000 0.264 142 P C -0.483 176.893 177.300 0.126 0.000 1.193 142 P CA 0.273 63.455 63.100 0.137 0.000 0.763 142 P CB 0.622 32.398 31.700 0.127 0.000 0.810 143 T N 2.917 117.523 114.554 0.087 0.000 2.906 143 T HA 0.354 4.705 4.350 0.001 0.000 0.295 143 T C 0.244 174.976 174.700 0.053 0.000 1.061 143 T CA -0.527 61.620 62.100 0.079 0.000 1.000 143 T CB 0.514 69.419 68.868 0.063 0.000 1.103 143 T HN -0.026 nan 8.240 nan 0.000 0.486 144 L N 3.894 125.147 121.223 0.051 0.000 2.685 144 L HA 0.288 4.628 4.340 0.001 0.000 0.233 144 L C 1.955 178.840 176.870 0.026 0.000 1.173 144 L CA 0.741 55.601 54.840 0.034 0.000 0.961 144 L CB -0.858 41.218 42.059 0.029 0.000 1.217 144 L HN 0.739 nan 8.230 nan 0.000 0.478 145 T N -1.680 112.888 114.554 0.024 0.000 2.983 145 T HA 0.000 4.351 4.350 0.001 0.000 0.250 145 T C 1.077 175.781 174.700 0.007 0.000 1.037 145 T CA 0.348 62.455 62.100 0.012 0.000 1.142 145 T CB 0.613 69.483 68.868 0.003 0.000 0.876 145 T HN 0.062 nan 8.240 nan 0.000 0.455 146 K N 1.787 122.191 120.400 0.007 0.000 2.258 146 K HA 0.446 4.767 4.320 0.001 0.000 0.284 146 K C 0.840 177.446 176.600 0.010 0.000 1.051 146 K CA -0.131 56.160 56.287 0.006 0.000 0.923 146 K CB 0.809 33.311 32.500 0.003 0.000 1.046 146 K HN 0.123 nan 8.250 nan 0.000 0.474 147 K N 1.516 121.922 120.400 0.010 0.000 2.404 147 K HA 0.052 4.372 4.320 0.001 0.000 0.194 147 K C 0.586 177.193 176.600 0.011 0.000 1.023 147 K CA 1.098 57.391 56.287 0.011 0.000 1.094 147 K CB -0.834 31.672 32.500 0.009 0.000 0.841 147 K HN 0.831 nan 8.250 nan 0.000 0.523 155 G N 0.250 108.817 108.800 -0.388 0.000 2.796 155 G HA2 -0.208 3.753 3.960 0.001 0.000 0.571 155 G HA3 -0.208 3.753 3.960 0.001 0.000 0.571 155 G C 0.380 175.056 174.900 -0.372 0.000 1.370 155 G CA 0.856 45.697 45.100 -0.432 0.000 0.856 155 G HN 1.403 nan 8.290 nan 0.000 0.538 156 T N -1.847 112.549 114.554 -0.264 0.000 2.788 156 T HA 0.164 4.515 4.350 0.001 0.000 0.268 156 T C 2.751 177.352 174.700 -0.164 0.000 1.044 156 T CA 2.780 64.765 62.100 -0.191 0.000 1.139 156 T CB -0.595 68.204 68.868 -0.115 0.000 0.867 156 T HN 2.154 nan 8.240 nan 0.000 0.454 157 A N 2.072 124.826 122.820 -0.109 0.000 1.927 157 A HA 0.078 4.399 4.320 0.001 0.000 0.220 157 A C 2.739 180.241 177.584 -0.135 0.000 1.185 157 A CA 2.028 54.011 52.037 -0.089 0.000 0.639 157 A CB -1.683 17.332 19.000 0.024 0.000 0.820 157 A HN 0.652 nan 8.150 nan 0.000 0.451 158 G N -1.266 107.430 108.800 -0.173 0.000 2.448 158 G HA2 0.119 4.080 3.960 0.001 0.000 0.218 158 G HA3 0.119 4.080 3.960 0.001 0.000 0.218 158 G C 1.600 176.369 174.900 -0.218 0.000 1.135 158 G CA 1.211 46.181 45.100 -0.217 0.000 0.784 158 G HN 0.827 nan 8.290 nan 0.000 0.543 159 A N 0.538 123.233 122.820 -0.208 0.000 1.970 159 A HA 0.225 4.546 4.320 0.001 0.000 0.216 159 A C 2.302 179.799 177.584 -0.145 0.000 1.170 159 A CA 0.655 52.582 52.037 -0.182 0.000 0.645 159 A CB -0.212 18.678 19.000 -0.183 0.000 0.816 159 A HN 0.342 nan 8.150 nan 0.000 0.447 160 I N -0.703 119.780 120.570 -0.145 0.000 2.179 160 I HA -0.274 3.896 4.170 0.001 0.000 0.242 160 I C 2.663 178.719 176.117 -0.102 0.000 1.088 160 I CA 1.325 62.551 61.300 -0.123 0.000 1.357 160 I CB -0.314 37.598 38.000 -0.147 0.000 1.051 160 I HN 0.258 nan 8.210 nan 0.000 0.409 161 R N 0.064 120.498 120.500 -0.110 0.000 2.139 161 R HA -0.154 4.186 4.340 0.001 0.000 0.243 161 R C 2.203 178.458 176.300 -0.076 0.000 1.145 161 R CA 1.261 57.309 56.100 -0.087 0.000 0.976 161 R CB -0.241 30.003 30.300 -0.093 0.000 0.866 161 R HN 0.269 nan 8.270 nan 0.000 0.449 162 V N 0.716 120.573 119.914 -0.095 0.000 2.379 162 V HA -0.143 3.977 4.120 0.001 0.000 0.243 162 V C 2.150 178.202 176.094 -0.070 0.000 1.035 162 V CA 1.229 63.480 62.300 -0.082 0.000 1.035 162 V CB -0.240 31.520 31.823 -0.104 0.000 0.673 162 V HN 0.273 nan 8.190 nan 0.000 0.457 163 L N -0.030 121.149 121.223 -0.074 0.000 2.127 163 L HA -0.204 4.137 4.340 0.001 0.000 0.211 163 L C 2.224 179.063 176.870 -0.051 0.000 1.089 163 L CA 1.418 56.222 54.840 -0.061 0.000 0.757 163 L CB -0.685 41.342 42.059 -0.053 0.000 0.899 163 L HN 0.353 nan 8.230 nan 0.000 0.434 164 D N 0.164 120.536 120.400 -0.047 0.000 2.183 164 D HA -0.086 4.554 4.640 0.001 0.000 0.203 164 D C 2.177 178.455 176.300 -0.036 0.000 0.969 164 D CA 1.335 55.313 54.000 -0.036 0.000 0.842 164 D CB 0.116 40.895 40.800 -0.034 0.000 0.957 164 D HN 0.285 nan 8.370 nan 0.000 0.484 165 A N 0.119 122.915 122.820 -0.039 0.000 2.119 165 A HA 0.034 4.354 4.320 0.001 0.000 0.216 165 A C 2.093 179.647 177.584 -0.050 0.000 1.152 165 A CA 0.290 52.308 52.037 -0.032 0.000 0.708 165 A CB -0.379 18.609 19.000 -0.019 0.000 0.805 165 A HN 0.198 nan 8.150 nan 0.000 0.460 166 L N -1.372 119.809 121.223 -0.070 0.000 2.554 166 L HA -0.001 4.339 4.340 0.001 0.000 0.226 166 L C 2.211 179.017 176.870 -0.107 0.000 1.137 166 L CA 0.915 55.687 54.840 -0.113 0.000 0.863 166 L CB 0.003 41.991 42.059 -0.119 0.000 0.985 166 L HN 0.395 nan 8.230 nan 0.000 0.451 167 E N -0.173 119.988 120.200 -0.065 0.000 2.228 167 E HA -0.053 4.297 4.350 0.001 0.000 0.197 167 E C 2.111 178.692 176.600 -0.031 0.000 0.909 167 E CA 0.095 56.468 56.400 -0.045 0.000 0.911 167 E CB 0.218 29.899 29.700 -0.032 0.000 0.887 167 E HN 0.106 nan 8.360 nan 0.000 0.481 168 R N 0.588 121.071 120.500 -0.027 0.000 2.103 168 R HA -0.113 4.228 4.340 0.001 0.000 0.242 168 R C 0.822 177.117 176.300 -0.008 0.000 1.142 168 R CA 2.057 58.148 56.100 -0.015 0.000 0.960 168 R CB -0.267 30.026 30.300 -0.012 0.000 0.858 168 R HN 0.073 nan 8.270 nan 0.000 0.439 169 N N 0.546 119.234 118.700 -0.020 0.000 2.322 169 N HA -0.035 4.706 4.740 0.001 0.000 0.194 169 N C -0.553 174.944 175.510 -0.021 0.000 1.126 169 N CA 0.135 53.178 53.050 -0.011 0.000 0.845 169 N CB 0.170 38.645 38.487 -0.021 0.000 0.976 169 N HN 0.263 nan 8.380 nan 0.000 0.475 170 N N 1.058 119.741 118.700 -0.027 0.000 2.696 170 N HA -0.264 4.476 4.740 0.001 0.000 0.271 170 N C -0.771 174.689 175.510 -0.083 0.000 0.997 170 N CA 0.499 53.543 53.050 -0.009 0.000 0.801 170 N CB -0.681 37.846 38.487 0.067 0.000 0.913 170 N HN 0.291 nan 8.380 nan 0.000 0.557 171 A N 2.660 125.272 122.820 -0.346 0.000 3.126 171 A HA 0.128 4.448 4.320 0.001 0.000 0.268 171 A C 1.460 178.526 177.584 -0.863 0.000 1.605 171 A CA -0.055 51.381 52.037 -1.002 0.000 1.305 171 A CB -0.417 17.948 19.000 -1.057 0.000 1.160 171 A HN 0.709 nan 8.150 nan 0.000 0.609 172 H N -0.767 118.088 119.070 -0.358 0.000 2.489 172 H HA -0.210 4.347 4.556 0.001 0.000 0.295 172 H C 1.359 176.647 175.328 -0.066 0.000 1.082 172 H CA 1.674 57.646 56.048 -0.126 0.000 1.295 172 H CB -0.438 29.345 29.762 0.035 0.000 1.380 172 H HN 0.930 nan 8.280 nan 0.000 0.548 173 W N 1.220 122.287 121.300 -0.388 0.000 3.047 173 W HA 0.290 4.951 4.660 0.001 0.000 0.250 173 W C 0.127 176.602 176.519 -0.073 0.000 1.314 173 W CA -0.916 56.301 57.345 -0.213 0.000 1.540 173 W CB -0.654 28.617 29.460 -0.315 0.000 1.127 173 W HN 0.188 nan 8.180 nan 0.000 0.679 174 C N 4.942 124.001 119.300 -0.402 0.000 2.281 174 C HA 0.576 5.036 4.460 0.001 0.000 0.323 174 C C 0.530 175.442 174.990 -0.130 0.000 1.270 174 C CA -1.238 57.634 59.018 -0.243 0.000 1.559 174 C CB -0.010 27.423 27.740 -0.512 0.000 2.239 174 C HN 0.205 nan 8.230 nan 0.000 0.488 175 R N 3.252 123.726 120.500 -0.044 0.000 2.541 175 R HA 0.699 5.039 4.340 0.001 0.000 0.263 175 R C 0.214 176.452 176.300 -0.102 0.000 1.112 175 R CA -0.139 55.905 56.100 -0.093 0.000 1.170 175 R CB 0.900 31.088 30.300 -0.187 0.000 1.167 175 R HN 0.888 nan 8.270 nan 0.000 0.582 176 T N -2.806 111.680 114.554 -0.113 0.000 2.909 176 T HA 0.595 4.945 4.350 0.001 0.000 0.299 176 T C -0.220 174.459 174.700 -0.034 0.000 1.073 176 T CA -0.885 61.183 62.100 -0.052 0.000 0.999 176 T CB 1.528 70.370 68.868 -0.044 0.000 1.098 176 T HN 0.405 nan 8.240 nan 0.000 0.477 177 V N -0.808 119.128 119.914 0.038 0.000 2.914 177 V HA 1.013 5.133 4.120 0.001 0.000 0.314 177 V C 0.312 176.416 176.094 0.017 0.000 1.084 177 V CA -0.881 61.458 62.300 0.064 0.000 0.963 177 V CB 1.555 33.487 31.823 0.182 0.000 1.025 177 V HN 1.340 nan 8.190 nan 0.000 0.432 178 G N 2.056 110.852 108.800 -0.005 0.000 2.367 178 G HA2 0.720 4.681 3.960 0.001 0.000 0.314 178 G HA3 0.720 4.681 3.960 0.001 0.000 0.314 178 G C -1.058 173.809 174.900 -0.054 0.000 1.130 178 G CA -0.632 44.440 45.100 -0.047 0.000 0.864 178 G HN 1.115 nan 8.290 nan 0.000 0.486 179 I N 0.561 121.083 120.570 -0.081 0.000 2.802 179 I HA 0.689 4.860 4.170 0.001 0.000 0.298 179 I C -0.153 175.917 176.117 -0.078 0.000 1.176 179 I CA -0.298 60.948 61.300 -0.090 0.000 1.025 179 I CB 2.179 40.105 38.000 -0.123 0.000 1.243 179 I HN 1.206 nan 8.210 nan 0.000 0.424 180 G N 4.236 113.002 108.800 -0.056 0.000 3.373 180 G HA2 0.381 4.342 3.960 0.001 0.000 0.685 180 G HA3 0.381 4.342 3.960 0.001 0.000 0.685 180 G C 0.383 175.328 174.900 0.076 0.000 1.166 180 G CA -0.387 44.701 45.100 -0.019 0.000 1.063 180 G HN 1.883 nan 8.290 nan 0.000 0.481 181 G N -0.484 108.358 108.800 0.070 0.000 2.143 181 G HA2 -0.003 3.958 3.960 0.001 0.000 0.248 181 G HA3 -0.003 3.958 3.960 0.001 0.000 0.248 181 G C 0.367 175.363 174.900 0.161 0.000 0.991 181 G CA 0.506 45.716 45.100 0.184 0.000 0.689 181 G HN 1.608 nan 8.290 nan 0.000 0.522 182 L N 2.025 123.217 121.223 -0.052 0.000 2.278 182 L HA 0.581 4.921 4.340 0.001 0.000 0.287 182 L C 0.653 177.310 176.870 -0.355 0.000 1.072 182 L CA -0.396 54.393 54.840 -0.085 0.000 0.819 182 L CB 0.290 42.316 42.059 -0.056 0.000 1.176 182 L HN 0.310 nan 8.230 nan 0.000 0.435 183 H N 4.089 123.133 119.070 -0.043 0.000 2.931 183 H HA 0.373 4.929 4.556 0.001 0.000 0.331 183 H C -1.855 173.433 175.328 -0.067 0.000 1.273 183 H CA -1.495 54.521 56.048 -0.054 0.000 1.171 183 H CB 1.331 31.053 29.762 -0.066 0.000 1.898 183 H HN 0.182 nan 8.280 nan 0.000 0.562 184 P HA -0.067 nan 4.420 nan 0.000 0.226 184 P C 0.455 177.746 177.300 -0.015 0.000 1.153 184 P CA 1.168 64.277 63.100 0.014 0.000 0.777 184 P CB -0.058 31.654 31.700 0.020 0.000 0.794 185 D N -1.154 119.239 120.400 -0.013 0.000 2.324 185 D HA -0.047 4.594 4.640 0.001 0.000 0.235 185 D C 0.786 177.028 176.300 -0.096 0.000 1.095 185 D CA 0.109 54.078 54.000 -0.052 0.000 0.871 185 D CB -0.784 39.972 40.800 -0.074 0.000 0.906 185 D HN 0.127 nan 8.370 nan 0.000 0.522 186 N N -0.617 118.014 118.700 -0.115 0.000 1.903 186 N HA -0.026 4.714 4.740 0.001 0.000 0.220 186 N C 0.578 175.997 175.510 -0.152 0.000 1.427 186 N CA -0.313 52.634 53.050 -0.171 0.000 0.697 186 N CB -1.048 37.250 38.487 -0.315 0.000 1.097 186 N HN 0.228 nan 8.380 nan 0.000 0.564 187 I N 1.883 122.363 120.570 -0.150 0.000 2.163 187 I HA -0.222 3.949 4.170 0.001 0.000 0.240 187 I C 2.294 178.222 176.117 -0.315 0.000 1.081 187 I CA 1.711 62.913 61.300 -0.163 0.000 1.353 187 I CB -0.020 37.907 38.000 -0.121 0.000 1.054 187 I HN 0.257 nan 8.210 nan 0.000 0.407 188 E N 1.202 121.125 120.200 -0.462 0.000 2.049 188 E HA -0.343 4.007 4.350 0.001 0.000 0.198 188 E C 2.206 178.319 176.600 -0.813 0.000 1.007 188 E CA 1.467 57.369 56.400 -0.830 0.000 0.809 188 E CB -0.684 28.424 29.700 -0.987 0.000 0.749 188 E HN 0.461 nan 8.360 nan 0.000 0.450 189 R N 1.340 121.430 120.500 -0.684 0.000 2.096 189 R HA -0.173 4.167 4.340 0.001 0.000 0.240 189 R C 2.412 178.656 176.300 -0.093 0.000 1.139 189 R CA 1.835 57.817 56.100 -0.197 0.000 0.952 189 R CB -0.417 29.863 30.300 -0.032 0.000 0.854 189 R HN 0.119 nan 8.270 nan 0.000 0.436 190 V N 0.941 120.795 119.914 -0.100 0.000 2.295 190 V HA -0.234 3.887 4.120 0.001 0.000 0.246 190 V C 2.271 178.300 176.094 -0.108 0.000 1.049 190 V CA 1.526 63.801 62.300 -0.040 0.000 1.024 190 V CB -0.454 31.387 31.823 0.031 0.000 0.648 190 V HN 0.324 nan 8.190 nan 0.000 0.447 191 L N -1.068 120.031 121.223 -0.206 0.000 2.131 191 L HA -0.170 4.171 4.340 0.001 0.000 0.210 191 L C 2.132 178.939 176.870 -0.106 0.000 1.092 191 L CA 1.941 56.650 54.840 -0.219 0.000 0.759 191 L CB -0.994 40.782 42.059 -0.470 0.000 0.903 191 L HN 0.544 nan 8.230 nan 0.000 0.435 192 Y N 0.107 120.240 120.300 -0.278 0.000 2.269 192 Y HA -0.191 4.359 4.550 0.001 0.000 0.294 192 Y C 2.288 178.165 175.900 -0.038 0.000 1.120 192 Y CA 1.141 59.209 58.100 -0.053 0.000 1.159 192 Y CB 0.272 38.768 38.460 0.060 0.000 1.024 192 Y HN 0.429 nan 8.280 nan 0.000 0.532 193 Q N -1.350 118.303 119.800 -0.246 0.000 2.282 193 Q HA 0.160 4.500 4.340 0.001 0.000 0.206 193 Q C 0.074 175.915 176.000 -0.264 0.000 0.878 193 Q CA -0.048 55.520 55.803 -0.392 0.000 0.944 193 Q CB -0.055 28.459 28.738 -0.374 0.000 1.100 193 Q HN 0.268 nan 8.270 nan 0.000 0.509 194 C N 3.036 122.237 119.300 -0.164 0.000 2.400 194 C HA 0.469 4.929 4.460 0.001 0.000 0.457 194 C C 0.281 175.219 174.990 -0.087 0.000 1.020 194 C CA -0.858 58.085 59.018 -0.126 0.000 1.258 194 C CB -1.367 26.316 27.740 -0.096 0.000 1.532 194 C HN 0.417 nan 8.230 nan 0.000 0.537 195 V N 0.934 120.783 119.914 -0.109 0.000 2.914 195 V HA 0.749 4.870 4.120 0.001 0.000 0.314 195 V C 0.082 176.185 176.094 0.015 0.000 1.084 195 V CA -0.494 61.794 62.300 -0.021 0.000 0.963 195 V CB 1.692 33.534 31.823 0.032 0.000 1.025 195 V HN 0.403 nan 8.190 nan 0.000 0.432 196 S N 2.214 117.946 115.700 0.054 0.000 2.576 196 S HA 0.166 4.637 4.470 0.001 0.000 0.272 196 S C 1.433 176.125 174.600 0.153 0.000 1.352 196 S CA 0.499 58.732 58.200 0.055 0.000 1.021 196 S CB 0.972 64.188 63.200 0.026 0.000 0.887 196 S HN 1.037 nan 8.310 nan 0.000 0.542 197 S N 2.478 118.240 115.700 0.103 0.000 2.370 197 S HA -0.164 4.306 4.470 0.001 0.000 0.226 197 S C 1.614 176.197 174.600 -0.028 0.000 1.033 197 S CA 1.754 60.026 58.200 0.119 0.000 1.011 197 S CB -0.705 62.511 63.200 0.027 0.000 0.852 197 S HN 0.938 nan 8.310 nan 0.000 0.457 198 N N 0.889 119.565 118.700 -0.040 0.000 2.521 198 N HA 0.140 4.881 4.740 0.001 0.000 0.188 198 N C 1.011 176.471 175.510 -0.084 0.000 1.146 198 N CA 0.968 53.961 53.050 -0.096 0.000 0.893 198 N CB -0.630 37.822 38.487 -0.059 0.000 0.975 198 N HN 0.387 nan 8.380 nan 0.000 0.451 199 G N -0.121 108.682 108.800 0.005 0.000 2.184 199 G HA2 -0.375 3.586 3.960 0.001 0.000 0.264 199 G HA3 -0.375 3.586 3.960 0.001 0.000 0.264 199 G C 0.948 175.890 174.900 0.070 0.000 0.975 199 G CA 0.658 45.812 45.100 0.089 0.000 0.642 199 G HN 0.483 nan 8.290 nan 0.000 0.536 200 K N -0.590 119.832 120.400 0.036 0.000 2.166 200 K HA 0.101 4.421 4.320 0.001 0.000 0.201 200 K C 1.427 178.049 176.600 0.035 0.000 1.052 200 K CA 0.432 56.735 56.287 0.028 0.000 0.969 200 K CB 0.259 32.764 32.500 0.008 0.000 0.761 200 K HN 0.361 nan 8.250 nan 0.000 0.459 201 R N 1.052 121.572 120.500 0.033 0.000 2.562 201 R HA 0.189 4.530 4.340 0.001 0.000 0.298 201 R C -0.964 175.355 176.300 0.031 0.000 0.961 201 R CA -0.222 55.893 56.100 0.025 0.000 0.881 201 R CB 1.675 31.975 30.300 -0.001 0.000 1.159 201 R HN 0.037 nan 8.270 nan 0.000 0.450 202 S N 3.509 119.229 115.700 0.033 0.000 2.811 202 S HA 0.498 4.968 4.470 0.001 0.000 0.311 202 S C -0.267 174.344 174.600 0.019 0.000 1.152 202 S CA -1.005 57.213 58.200 0.029 0.000 0.864 202 S CB 0.751 63.985 63.200 0.058 0.000 1.226 202 S HN 0.467 nan 8.310 nan 0.000 0.541 203 L N 1.313 122.545 121.223 0.014 0.000 2.416 203 L HA 0.261 4.602 4.340 0.001 0.000 0.272 203 L C 0.239 177.132 176.870 0.038 0.000 1.161 203 L CA -0.185 54.661 54.840 0.010 0.000 0.845 203 L CB -0.063 41.995 42.059 -0.001 0.000 1.119 203 L HN 0.743 nan 8.230 nan 0.000 0.464 204 D N 1.129 121.550 120.400 0.034 0.000 2.323 204 D HA 0.171 4.811 4.640 0.001 0.000 0.209 204 D C 0.746 177.113 176.300 0.112 0.000 0.973 204 D CA 0.634 54.677 54.000 0.072 0.000 0.874 204 D CB 0.483 41.318 40.800 0.058 0.000 0.930 204 D HN 0.718 nan 8.370 nan 0.000 0.521 205 G N -0.611 108.247 108.800 0.097 0.000 2.506 205 G HA2 0.497 4.457 3.960 0.001 0.000 0.292 205 G HA3 0.497 4.457 3.960 0.001 0.000 0.292 205 G C -1.752 173.207 174.900 0.099 0.000 1.425 205 G CA -0.825 44.350 45.100 0.125 0.000 0.788 205 G HN -0.002 nan 8.290 nan 0.000 0.490 206 I N -0.216 120.412 120.570 0.097 0.000 2.530 206 I HA 0.436 4.607 4.170 0.001 0.000 0.297 206 I C -0.427 175.727 176.117 0.061 0.000 1.011 206 I CA -0.650 60.681 61.300 0.051 0.000 1.107 206 I CB 2.115 40.126 38.000 0.017 0.000 1.285 206 I HN 0.428 nan 8.210 nan 0.000 0.436 207 C N 6.377 125.674 119.300 -0.005 0.000 2.329 207 C HA 0.738 5.199 4.460 0.001 0.000 0.329 207 C C -0.009 174.924 174.990 -0.095 0.000 1.275 207 C CA -0.325 58.649 59.018 -0.073 0.000 1.726 207 C CB 0.935 28.569 27.740 -0.176 0.000 2.291 207 C HN 0.541 nan 8.230 nan 0.000 0.514 208 V N 3.683 123.539 119.914 -0.096 0.000 3.040 208 V HA 0.889 5.010 4.120 0.001 0.000 0.312 208 V C -0.539 175.491 176.094 -0.106 0.000 1.115 208 V CA -0.431 61.798 62.300 -0.118 0.000 0.998 208 V CB 1.519 33.278 31.823 -0.108 0.000 1.042 208 V HN 0.577 nan 8.190 nan 0.000 0.433 209 V N 1.088 120.937 119.914 -0.108 0.000 3.889 209 V HA 0.075 4.196 4.120 0.001 0.000 0.184 209 V C 2.208 178.274 176.094 -0.047 0.000 1.311 209 V CA 1.279 63.537 62.300 -0.070 0.000 1.277 209 V CB 0.734 32.519 31.823 -0.063 0.000 1.364 209 V HN 1.121 nan 8.190 nan 0.000 0.567 210 S N -0.291 115.385 115.700 -0.040 0.000 2.595 210 S HA -0.158 4.312 4.470 0.001 0.000 0.235 210 S C 1.170 175.794 174.600 0.039 0.000 0.974 210 S CA 1.854 60.064 58.200 0.017 0.000 0.942 210 S CB -0.307 62.936 63.200 0.071 0.000 0.766 210 S HN 0.647 nan 8.310 nan 0.000 0.536 211 D N 0.479 120.860 120.400 -0.031 0.000 2.277 211 D HA 0.244 4.885 4.640 0.001 0.000 0.209 211 D C 1.595 177.900 176.300 0.009 0.000 0.970 211 D CA 0.703 54.703 54.000 0.000 0.000 0.874 211 D CB 0.119 40.858 40.800 -0.103 0.000 0.982 211 D HN 0.516 nan 8.370 nan 0.000 0.504 212 I N -0.059 120.505 120.570 -0.011 0.000 2.900 212 I HA -0.034 4.137 4.170 0.001 0.000 0.251 212 I C 1.831 177.948 176.117 0.000 0.000 1.102 212 I CA -0.083 61.214 61.300 -0.005 0.000 1.457 212 I CB 0.029 38.019 38.000 -0.015 0.000 1.285 212 I HN -0.043 nan 8.210 nan 0.000 0.459 213 I N 1.941 122.509 120.570 -0.004 0.000 2.194 213 I HA -0.288 3.883 4.170 0.001 0.000 0.246 213 I C 2.486 178.610 176.117 0.011 0.000 1.093 213 I CA 1.904 63.206 61.300 0.002 0.000 1.355 213 I CB -1.308 36.691 38.000 -0.002 0.000 1.046 213 I HN 0.219 nan 8.210 nan 0.000 0.413 214 A N -0.161 122.669 122.820 0.016 0.000 2.251 214 A HA 0.060 4.380 4.320 0.001 0.000 0.209 214 A C 1.330 178.927 177.584 0.022 0.000 1.187 214 A CA 0.119 52.169 52.037 0.022 0.000 0.823 214 A CB -0.293 18.725 19.000 0.030 0.000 0.846 214 A HN 0.323 nan 8.150 nan 0.000 0.486 215 S N -0.285 115.428 115.700 0.020 0.000 2.523 215 S HA 0.404 4.875 4.470 0.001 0.000 0.275 215 S C 0.996 175.605 174.600 0.016 0.000 1.281 215 S CA -0.596 57.616 58.200 0.019 0.000 1.050 215 S CB 0.273 63.484 63.200 0.018 0.000 0.937 215 S HN 0.391 nan 8.310 nan 0.000 0.492 216 L N 2.797 124.028 121.223 0.014 0.000 2.456 216 L HA 0.149 4.489 4.340 0.001 0.000 0.224 216 L C 0.564 177.441 176.870 0.012 0.000 1.148 216 L CA 0.641 55.488 54.840 0.012 0.000 0.825 216 L CB -0.099 41.965 42.059 0.009 0.000 0.937 216 L HN 0.588 nan 8.230 nan 0.000 0.450 217 D N -0.764 119.643 120.400 0.012 0.000 2.411 217 D HA 0.242 4.882 4.640 0.001 0.000 0.239 217 D C 0.605 176.911 176.300 0.010 0.000 1.307 217 D CA 0.030 54.037 54.000 0.011 0.000 0.930 217 D CB 1.284 42.090 40.800 0.010 0.000 1.395 217 D HN -0.026 nan 8.370 nan 0.000 0.536 218 A N 2.251 125.076 122.820 0.009 0.000 2.015 218 A HA 0.106 4.427 4.320 0.001 0.000 0.219 218 A C 2.155 179.740 177.584 0.000 0.000 1.163 218 A CA 1.700 53.740 52.037 0.004 0.000 0.646 218 A CB -0.200 18.800 19.000 -0.000 0.000 0.806 218 A HN 0.547 nan 8.150 nan 0.000 0.448 219 A N 0.110 122.932 122.820 0.003 0.000 1.883 219 A HA -0.215 4.106 4.320 0.001 0.000 0.217 219 A C 2.150 179.737 177.584 0.004 0.000 1.186 219 A CA 2.100 54.139 52.037 0.003 0.000 0.624 219 A CB -0.455 18.550 19.000 0.008 0.000 0.822 219 A HN 0.555 nan 8.150 nan 0.000 0.444 220 K N -0.556 119.848 120.400 0.007 0.000 2.031 220 K HA -0.070 4.251 4.320 0.001 0.000 0.205 220 K C 2.239 178.844 176.600 0.008 0.000 1.049 220 K CA 1.401 57.692 56.287 0.008 0.000 0.939 220 K CB -0.208 32.297 32.500 0.008 0.000 0.717 220 K HN 0.389 nan 8.250 nan 0.000 0.438 221 S N 0.253 115.957 115.700 0.008 0.000 2.400 221 S HA -0.127 4.344 4.470 0.001 0.000 0.232 221 S C 1.780 176.383 174.600 0.005 0.000 1.025 221 S CA 1.854 60.060 58.200 0.010 0.000 0.993 221 S CB -0.299 62.909 63.200 0.014 0.000 0.808 221 S HN 0.456 nan 8.310 nan 0.000 0.478 222 T N 1.277 115.832 114.554 0.001 0.000 2.896 222 T HA 0.018 4.368 4.350 0.001 0.000 0.263 222 T C 1.791 176.492 174.700 0.001 0.000 1.050 222 T CA 0.808 62.906 62.100 -0.003 0.000 1.140 222 T CB -0.079 68.782 68.868 -0.011 0.000 0.877 222 T HN 0.326 nan 8.240 nan 0.000 0.457 223 K N 0.735 121.137 120.400 0.003 0.000 2.147 223 K HA 0.007 4.328 4.320 0.001 0.000 0.205 223 K C 2.150 178.756 176.600 0.010 0.000 1.049 223 K CA 0.944 57.236 56.287 0.007 0.000 0.936 223 K CB -0.221 32.284 32.500 0.008 0.000 0.722 223 K HN 0.330 nan 8.250 nan 0.000 0.446 224 I N 1.099 121.674 120.570 0.010 0.000 2.163 224 I HA -0.308 3.863 4.170 0.001 0.000 0.240 224 I C 2.188 178.312 176.117 0.012 0.000 1.081 224 I CA 1.042 62.349 61.300 0.012 0.000 1.353 224 I CB -0.232 37.775 38.000 0.012 0.000 1.054 224 I HN 0.157 nan 8.210 nan 0.000 0.407 225 L N -0.082 121.145 121.223 0.007 0.000 2.042 225 L HA -0.233 4.107 4.340 0.001 0.000 0.210 225 L C 2.802 179.680 176.870 0.013 0.000 1.076 225 L CA 1.079 55.921 54.840 0.004 0.000 0.749 225 L CB -0.777 41.279 42.059 -0.004 0.000 0.893 225 L HN 0.259 nan 8.230 nan 0.000 0.432 226 R N 0.646 121.155 120.500 0.014 0.000 2.097 226 R HA -0.151 4.190 4.340 0.001 0.000 0.236 226 R C 2.261 178.579 176.300 0.030 0.000 1.135 226 R CA 1.657 57.769 56.100 0.021 0.000 0.934 226 R CB -1.464 28.845 30.300 0.014 0.000 0.846 226 R HN 0.435 nan 8.270 nan 0.000 0.431 227 G N 1.249 110.065 108.800 0.026 0.000 2.649 227 G HA2 -0.293 3.667 3.960 0.001 0.000 0.220 227 G HA3 -0.293 3.667 3.960 0.001 0.000 0.220 227 G C 1.352 176.284 174.900 0.052 0.000 1.189 227 G CA 1.306 46.426 45.100 0.033 0.000 0.777 227 G HN 0.237 nan 8.290 nan 0.000 0.602 228 L N 0.615 121.869 121.223 0.052 0.000 2.027 228 L HA 0.108 4.449 4.340 0.001 0.000 0.206 228 L C 2.904 179.854 176.870 0.134 0.000 1.074 228 L CA 0.856 55.744 54.840 0.079 0.000 0.745 228 L CB -0.931 41.137 42.059 0.014 0.000 0.898 228 L HN 0.242 nan 8.230 nan 0.000 0.433 229 I N 0.445 121.067 120.570 0.087 0.000 2.264 229 I HA -0.287 3.883 4.170 0.001 0.000 0.248 229 I C 1.289 177.505 176.117 0.165 0.000 1.111 229 I CA 1.712 63.077 61.300 0.109 0.000 1.382 229 I CB -0.361 37.676 38.000 0.062 0.000 1.060 229 I HN 0.437 nan 8.210 nan 0.000 0.418 230 D N -0.409 120.058 120.400 0.111 0.000 2.431 230 D HA 0.048 4.689 4.640 0.001 0.000 0.213 230 D C 0.713 177.036 176.300 0.037 0.000 1.130 230 D CA -0.302 53.744 54.000 0.076 0.000 0.834 230 D CB -0.146 40.680 40.800 0.044 0.000 0.985 230 D HN 0.135 nan 8.370 nan 0.000 0.504 231 K N 0.387 120.824 120.400 0.061 0.000 2.156 231 K HA 0.197 4.518 4.320 0.001 0.000 0.242 231 K C 0.590 177.052 176.600 -0.230 0.000 1.033 231 K CA 0.674 56.953 56.287 -0.014 0.000 0.878 231 K CB 0.507 33.048 32.500 0.068 0.000 1.057 231 K HN 0.074 nan 8.250 nan 0.000 0.505 232 T N -2.201 112.136 114.554 -0.361 0.000 3.130 232 T HA 0.202 4.553 4.350 0.001 0.000 0.288 232 T C -0.872 173.468 174.700 -0.601 0.000 0.936 232 T CA -0.586 61.111 62.100 -0.672 0.000 0.897 232 T CB 0.212 68.875 68.868 -0.341 0.000 1.178 232 T HN 0.407 nan 8.240 nan 0.000 0.543 233 D N 1.820 122.032 120.400 -0.313 0.000 2.381 233 D HA 0.278 4.918 4.640 0.001 0.000 0.235 233 D C -1.533 174.839 176.300 0.120 0.000 1.068 233 D CA -0.478 53.453 54.000 -0.115 0.000 0.832 233 D CB 1.179 41.939 40.800 -0.066 0.000 1.101 233 D HN 0.147 nan 8.370 nan 0.000 0.515 234 Y N 2.939 123.219 120.300 -0.033 0.000 2.880 234 Y HA 0.162 4.713 4.550 0.001 0.000 0.329 234 Y C -0.118 175.728 175.900 -0.091 0.000 1.156 234 Y CA -0.964 57.134 58.100 -0.002 0.000 1.348 234 Y CB 0.260 38.647 38.460 -0.120 0.000 1.280 234 Y HN -0.022 nan 8.280 nan 0.000 0.516 235 K N 6.812 127.165 120.400 -0.078 0.000 2.083 235 K HA 0.021 4.342 4.320 0.001 0.000 0.246 235 K C 0.573 176.951 176.600 -0.371 0.000 1.160 235 K CA 0.066 56.182 56.287 -0.284 0.000 1.060 235 K CB -0.733 31.680 32.500 -0.144 0.000 1.417 235 K HN 0.727 nan 8.250 nan 0.000 0.329 236 F N -0.041 119.578 119.950 -0.551 0.000 2.473 236 F HA 0.124 4.652 4.527 0.001 0.000 0.294 236 F C 0.694 176.365 175.800 -0.215 0.000 1.103 236 F CA -0.482 57.173 58.000 -0.575 0.000 1.442 236 F CB 0.171 38.646 39.000 -0.876 0.000 1.097 236 F HN -0.044 nan 8.300 nan 0.000 0.547 237 V N 1.918 121.536 119.914 -0.493 0.000 2.680 237 V HA 0.334 4.455 4.120 0.001 0.000 0.309 237 V C -0.433 175.542 176.094 -0.198 0.000 1.052 237 V CA -0.921 61.270 62.300 -0.183 0.000 0.908 237 V CB 1.605 33.361 31.823 -0.112 0.000 1.001 237 V HN 0.289 nan 8.190 nan 0.000 0.431 238 N N 5.783 124.438 118.700 -0.075 0.000 2.878 238 N HA 0.278 5.018 4.740 0.001 0.000 0.282 238 N C -0.452 175.032 175.510 -0.043 0.000 1.284 238 N CA 0.220 53.233 53.050 -0.063 0.000 1.053 238 N CB -0.658 37.808 38.487 -0.035 0.000 1.382 238 N HN 0.616 nan 8.380 nan 0.000 0.529 239 I N -2.016 118.510 120.570 -0.074 0.000 3.294 239 I HA 0.485 4.656 4.170 0.001 0.000 0.311 239 I C 0.996 177.077 176.117 -0.061 0.000 1.111 239 I CA -1.797 59.483 61.300 -0.034 0.000 0.976 239 I CB 1.447 39.446 38.000 -0.001 0.000 1.260 239 I HN 0.024 nan 8.210 nan 0.000 0.474 240 G N 0.757 109.546 108.800 -0.018 0.000 2.483 240 G HA2 0.481 4.441 3.960 0.001 0.000 0.248 240 G HA3 0.481 4.441 3.960 0.001 0.000 0.248 240 G C -0.047 174.835 174.900 -0.031 0.000 1.248 240 G CA -0.206 44.883 45.100 -0.019 0.000 0.838 240 G HN 0.550 nan 8.290 nan 0.000 0.566 241 L N 1.091 122.284 121.223 -0.050 0.000 2.966 241 L HA 0.173 4.514 4.340 0.001 0.000 0.262 241 L C 1.177 178.043 176.870 -0.006 0.000 1.165 241 L CA -0.146 54.669 54.840 -0.042 0.000 0.978 241 L CB 0.340 42.329 42.059 -0.115 0.000 1.337 241 L HN 0.369 nan 8.230 nan 0.000 0.563 242 S N 0.779 116.481 115.700 0.004 0.000 2.643 242 S HA -0.053 4.417 4.470 0.001 0.000 0.310 242 S C 0.545 175.151 174.600 0.011 0.000 1.253 242 S CA 0.366 58.575 58.200 0.016 0.000 1.047 242 S CB 0.146 63.368 63.200 0.038 0.000 0.767 242 S HN 0.201 nan 8.310 nan 0.000 0.498 243 T N 5.617 120.170 114.554 -0.001 0.000 2.737 243 T HA 0.183 4.534 4.350 0.001 0.000 0.296 243 T C 0.026 174.725 174.700 -0.002 0.000 0.922 243 T CA -0.510 61.569 62.100 -0.035 0.000 1.079 243 T CB 0.175 69.024 68.868 -0.032 0.000 0.892 243 T HN 0.294 nan 8.240 nan 0.000 0.514 244 K N 3.749 124.144 120.400 -0.008 0.000 2.265 244 K HA 0.318 4.638 4.320 0.001 0.000 0.267 244 K C 0.237 176.900 176.600 0.105 0.000 0.994 244 K CA -0.552 55.788 56.287 0.088 0.000 0.860 244 K CB 1.698 34.286 32.500 0.146 0.000 1.099 244 K HN 0.412 nan 8.250 nan 0.000 0.448 245 N N 0.047 118.825 118.700 0.130 0.000 2.356 245 N HA -0.009 4.732 4.740 0.001 0.000 0.178 245 N C -0.365 175.305 175.510 0.266 0.000 1.075 245 N CA 0.166 53.322 53.050 0.176 0.000 0.889 245 N CB 0.525 39.081 38.487 0.114 0.000 0.999 245 N HN 0.338 nan 8.380 nan 0.000 0.464 246 S N 1.397 117.234 115.700 0.229 0.000 2.531 246 S HA 0.116 4.586 4.470 0.001 0.000 0.279 246 S C 0.140 174.893 174.600 0.255 0.000 1.305 246 S CA -0.559 57.779 58.200 0.230 0.000 1.058 246 S CB 0.586 63.890 63.200 0.172 0.000 0.899 246 S HN 0.084 nan 8.310 nan 0.000 0.493 247 L N 2.840 124.175 121.223 0.187 0.000 2.489 247 L HA 0.039 4.379 4.340 0.001 0.000 0.285 247 L C 1.107 178.063 176.870 0.143 0.000 1.259 247 L CA 0.851 55.747 54.840 0.094 0.000 0.828 247 L CB -0.554 41.510 42.059 0.008 0.000 1.094 247 L HN 0.641 nan 8.230 nan 0.000 0.524 248 T N 1.008 115.630 114.554 0.113 0.000 2.761 248 T HA 0.318 4.669 4.350 0.001 0.000 0.296 248 T C 0.451 175.116 174.700 -0.059 0.000 0.934 248 T CA -0.540 61.592 62.100 0.053 0.000 1.091 248 T CB 0.041 68.980 68.868 0.118 0.000 0.896 248 T HN 0.767 nan 8.240 nan 0.000 0.515 249 T N 0.763 115.246 114.554 -0.117 0.000 2.882 249 T HA 0.184 4.534 4.350 0.001 0.000 0.287 249 T C 1.670 176.281 174.700 -0.148 0.000 1.014 249 T CA -0.665 61.370 62.100 -0.110 0.000 1.049 249 T CB 0.912 69.721 68.868 -0.098 0.000 1.001 249 T HN 0.389 nan 8.240 nan 0.000 0.525 250 T N 1.304 115.766 114.554 -0.153 0.000 2.737 250 T HA -0.131 4.219 4.350 0.001 0.000 0.269 250 T C 1.379 175.967 174.700 -0.187 0.000 1.040 250 T CA 1.885 63.861 62.100 -0.207 0.000 1.142 250 T CB -0.595 68.156 68.868 -0.195 0.000 0.861 250 T HN 0.700 nan 8.240 nan 0.000 0.456 251 D N 0.729 121.045 120.400 -0.140 0.000 2.117 251 D HA -0.041 4.600 4.640 0.001 0.000 0.198 251 D C 2.204 178.431 176.300 -0.123 0.000 0.982 251 D CA 0.901 54.831 54.000 -0.117 0.000 0.828 251 D CB -0.290 40.456 40.800 -0.090 0.000 0.967 251 D HN 0.514 nan 8.370 nan 0.000 0.464 252 E N 0.424 120.533 120.200 -0.151 0.000 2.023 252 E HA -0.130 4.220 4.350 0.001 0.000 0.196 252 E C 2.359 178.879 176.600 -0.133 0.000 1.003 252 E CA 0.570 56.864 56.400 -0.175 0.000 0.809 252 E CB -0.115 29.396 29.700 -0.315 0.000 0.755 252 E HN 0.245 nan 8.360 nan 0.000 0.449 253 I N 1.047 121.531 120.570 -0.144 0.000 2.194 253 I HA -0.363 3.807 4.170 0.001 0.000 0.246 253 I C 2.788 178.854 176.117 -0.084 0.000 1.093 253 I CA 1.402 62.634 61.300 -0.114 0.000 1.355 253 I CB -0.321 37.553 38.000 -0.209 0.000 1.046 253 I HN 0.244 nan 8.210 nan 0.000 0.413 254 Q N 0.063 119.792 119.800 -0.118 0.000 2.119 254 Q HA -0.207 4.133 4.340 0.001 0.000 0.201 254 Q C 2.259 178.237 176.000 -0.037 0.000 0.972 254 Q CA 1.848 57.607 55.803 -0.073 0.000 0.847 254 Q CB 0.032 28.713 28.738 -0.094 0.000 0.903 254 Q HN 0.300 nan 8.270 nan 0.000 0.433 255 S N -0.385 115.286 115.700 -0.047 0.000 2.470 255 S HA 0.031 4.501 4.470 0.001 0.000 0.225 255 S C 1.724 176.314 174.600 -0.017 0.000 1.006 255 S CA 0.210 58.391 58.200 -0.032 0.000 0.934 255 S CB 0.009 63.185 63.200 -0.039 0.000 0.778 255 S HN 0.381 nan 8.310 nan 0.000 0.517 256 I N 1.509 122.072 120.570 -0.012 0.000 2.252 256 I HA -0.130 4.041 4.170 0.001 0.000 0.245 256 I C 2.038 178.164 176.117 0.014 0.000 1.102 256 I CA 1.364 62.670 61.300 0.010 0.000 1.385 256 I CB -1.127 36.889 38.000 0.026 0.000 1.064 256 I HN 0.335 nan 8.210 nan 0.000 0.414 257 I N 0.446 121.032 120.570 0.027 0.000 2.353 257 I HA -0.208 3.963 4.170 0.001 0.000 0.248 257 I C 2.574 178.694 176.117 0.004 0.000 1.119 257 I CA 0.865 62.185 61.300 0.034 0.000 1.417 257 I CB -0.235 37.813 38.000 0.082 0.000 1.078 257 I HN 0.109 nan 8.210 nan 0.000 0.421 258 S N 0.928 116.625 115.700 -0.004 0.000 2.382 258 S HA -0.154 4.317 4.470 0.001 0.000 0.228 258 S C 1.770 176.353 174.600 -0.029 0.000 1.027 258 S CA 1.250 59.440 58.200 -0.017 0.000 0.991 258 S CB -0.366 62.824 63.200 -0.018 0.000 0.823 258 S HN 0.452 nan 8.310 nan 0.000 0.469 259 N N 1.026 119.707 118.700 -0.031 0.000 2.080 259 N HA -0.101 4.640 4.740 0.001 0.000 0.189 259 N C 2.109 177.568 175.510 -0.085 0.000 1.036 259 N CA 1.795 54.812 53.050 -0.055 0.000 0.846 259 N CB -1.039 37.424 38.487 -0.040 0.000 1.015 259 N HN 0.484 nan 8.380 nan 0.000 0.423 260 T N 1.203 115.723 114.554 -0.057 0.000 2.849 260 T HA -0.026 4.325 4.350 0.001 0.000 0.270 260 T C 1.965 176.634 174.700 -0.052 0.000 1.066 260 T CA 0.644 62.710 62.100 -0.056 0.000 1.130 260 T CB -0.082 68.775 68.868 -0.019 0.000 0.864 260 T HN 0.100 nan 8.240 nan 0.000 0.481 261 L N 0.003 121.200 121.223 -0.043 0.000 2.131 261 L HA 0.149 4.490 4.340 0.001 0.000 0.206 261 L C 2.805 179.650 176.870 -0.042 0.000 1.087 261 L CA 1.296 56.112 54.840 -0.039 0.000 0.767 261 L CB -0.398 41.638 42.059 -0.040 0.000 0.917 261 L HN 0.304 nan 8.230 nan 0.000 0.441 262 K N 0.297 120.665 120.400 -0.053 0.000 2.365 262 K HA 0.004 4.324 4.320 0.001 0.000 0.197 262 K C 1.373 177.930 176.600 -0.071 0.000 1.042 262 K CA 0.850 57.107 56.287 -0.050 0.000 0.987 262 K CB 0.311 32.786 32.500 -0.042 0.000 0.779 262 K HN 0.203 nan 8.250 nan 0.000 0.484 263 A N 0.905 123.648 122.820 -0.130 0.000 2.431 263 A HA 0.142 4.463 4.320 0.001 0.000 0.239 263 A C 0.309 177.821 177.584 -0.120 0.000 1.230 263 A CA -0.263 51.649 52.037 -0.209 0.000 0.928 263 A CB -0.098 18.541 19.000 -0.601 0.000 1.006 263 A HN 0.429 nan 8.150 nan 0.000 0.520 264 R N -0.112 120.352 120.500 -0.061 0.000 2.965 264 R HA -0.141 4.200 4.340 0.001 0.000 0.245 264 R C -2.507 173.805 176.300 0.019 0.000 0.861 264 R CA 0.301 56.396 56.100 -0.008 0.000 0.614 264 R CB -1.423 28.885 30.300 0.014 0.000 1.229 264 R HN 0.246 nan 8.270 nan 0.000 0.503 265 P HA -0.054 nan 4.420 nan 0.000 0.267 265 P C -0.593 176.754 177.300 0.079 0.000 1.200 265 P CA -0.165 62.974 63.100 0.065 0.000 0.772 265 P CB 0.499 32.226 31.700 0.046 0.000 0.855 266 L N 4.493 125.778 121.223 0.103 0.000 2.276 266 L HA 0.395 4.736 4.340 0.001 0.000 0.286 266 L C -1.147 175.786 176.870 0.106 0.000 1.024 266 L CA -0.310 54.590 54.840 0.100 0.000 0.826 266 L CB 0.909 43.027 42.059 0.099 0.000 1.211 266 L HN 0.014 nan 8.230 nan 0.000 0.422 267 V N 5.516 125.485 119.914 0.092 0.000 2.328 267 V HA 0.360 4.481 4.120 0.001 0.000 0.278 267 V C 0.103 176.223 176.094 0.043 0.000 1.021 267 V CA -0.499 61.818 62.300 0.027 0.000 0.838 267 V CB 1.038 32.848 31.823 -0.022 0.000 0.999 267 V HN 0.855 nan 8.190 nan 0.000 0.447 268 Q N 3.715 123.524 119.800 0.014 0.000 2.295 268 Q HA 0.260 4.601 4.340 0.001 0.000 0.259 268 Q C -0.968 174.980 176.000 -0.087 0.000 0.976 268 Q CA -0.324 55.509 55.803 0.051 0.000 0.923 268 Q CB 0.457 29.264 28.738 0.114 0.000 1.185 268 Q HN 0.800 nan 8.270 nan 0.000 0.410 269 H N 4.070 123.136 119.070 -0.006 0.000 2.556 269 H HA 0.345 4.902 4.556 0.001 0.000 0.310 269 H C -0.766 174.553 175.328 -0.016 0.000 1.057 269 H CA -0.354 55.678 56.048 -0.028 0.000 1.264 269 H CB 0.719 30.469 29.762 -0.020 0.000 1.404 269 H HN 0.551 nan 8.280 nan 0.000 0.462 270 I N 3.687 124.281 120.570 0.039 0.000 2.347 270 I HA 0.269 4.440 4.170 0.001 0.000 0.283 270 I C 0.280 176.406 176.117 0.015 0.000 1.058 270 I CA -0.130 61.191 61.300 0.035 0.000 1.202 270 I CB 0.593 38.603 38.000 0.017 0.000 1.386 270 I HN 0.544 nan 8.210 nan 0.000 0.475 271 T N 3.113 117.694 114.554 0.045 0.000 2.731 271 T HA 0.396 4.746 4.350 0.001 0.000 0.300 271 T C -0.496 174.251 174.700 0.078 0.000 1.283 271 T CA -0.775 61.344 62.100 0.032 0.000 1.005 271 T CB 1.097 69.981 68.868 0.025 0.000 1.420 271 T HN 0.538 nan 8.240 nan 0.000 0.503 272 N N 0.482 119.261 118.700 0.132 0.000 2.326 272 N HA 0.398 5.139 4.740 0.001 0.000 0.239 272 N C 1.466 177.052 175.510 0.127 0.000 1.301 272 N CA 0.064 53.202 53.050 0.147 0.000 0.909 272 N CB 0.306 38.916 38.487 0.204 0.000 1.156 272 N HN 0.769 nan 8.380 nan 0.000 0.462 273 K N 0.054 120.490 120.400 0.060 0.000 2.365 273 K HA -0.019 4.301 4.320 0.001 0.000 0.199 273 K C 1.697 178.287 176.600 -0.016 0.000 1.045 273 K CA 1.490 57.791 56.287 0.024 0.000 0.962 273 K CB -1.105 31.401 32.500 0.010 0.000 0.759 273 K HN 0.494 nan 8.250 nan 0.000 0.469 274 V N -1.655 118.208 119.914 -0.085 0.000 2.788 274 V HA -0.045 4.076 4.120 0.001 0.000 0.251 274 V C 2.037 177.973 176.094 -0.264 0.000 1.068 274 V CA 1.415 63.581 62.300 -0.224 0.000 1.090 274 V CB -0.890 30.714 31.823 -0.365 0.000 0.710 274 V HN 0.697 nan 8.190 nan 0.000 0.467 275 H N -0.672 118.437 119.070 0.066 0.000 2.553 275 H HA 0.160 4.717 4.556 0.001 0.000 0.276 275 H C 2.213 177.567 175.328 0.044 0.000 0.979 275 H CA 0.482 56.588 56.048 0.096 0.000 1.268 275 H CB -0.126 29.675 29.762 0.066 0.000 1.450 275 H HN 0.247 nan 8.280 nan 0.000 0.527 276 Q N 1.138 121.007 119.800 0.115 0.000 1.954 276 Q HA -0.302 4.039 4.340 0.001 0.000 0.222 276 Q C 1.981 177.977 176.000 -0.006 0.000 1.053 276 Q CA 2.066 57.886 55.803 0.029 0.000 0.900 276 Q CB -0.765 27.987 28.738 0.024 0.000 1.021 276 Q HN 0.409 nan 8.270 nan 0.000 0.423 277 N N 0.050 118.765 118.700 0.026 0.000 2.025 277 N HA -0.163 4.578 4.740 0.001 0.000 0.194 277 N C 1.557 177.127 175.510 0.100 0.000 1.044 277 N CA 1.352 54.424 53.050 0.035 0.000 0.851 277 N CB -0.582 37.927 38.487 0.035 0.000 1.036 277 N HN 0.190 nan 8.380 nan 0.000 0.422 278 F N 1.149 121.078 119.950 -0.036 0.000 2.065 278 F HA -0.061 4.467 4.527 0.001 0.000 0.298 278 F C 2.281 178.069 175.800 -0.020 0.000 1.112 278 F CA 1.928 59.919 58.000 -0.014 0.000 1.212 278 F CB -1.149 37.861 39.000 0.016 0.000 0.975 278 F HN 0.126 nan 8.300 nan 0.000 0.476 279 G N -0.594 108.135 108.800 -0.118 0.000 2.442 279 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 279 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 279 G C 1.838 176.532 174.900 -0.344 0.000 1.141 279 G CA 1.115 46.049 45.100 -0.277 0.000 0.763 279 G HN 0.672 nan 8.290 nan 0.000 0.554 280 A N 1.168 123.807 122.820 -0.303 0.000 1.933 280 A HA -0.069 4.251 4.320 0.001 0.000 0.218 280 A C 2.174 179.688 177.584 -0.117 0.000 1.175 280 A CA 1.803 53.695 52.037 -0.241 0.000 0.628 280 A CB -0.524 18.385 19.000 -0.153 0.000 0.814 280 A HN 0.507 nan 8.150 nan 0.000 0.444 281 N N -0.235 118.420 118.700 -0.075 0.000 2.188 281 N HA -0.081 4.660 4.740 0.001 0.000 0.184 281 N C 1.448 176.926 175.510 -0.055 0.000 1.018 281 N CA 1.261 54.296 53.050 -0.025 0.000 0.858 281 N CB -0.184 38.345 38.487 0.070 0.000 0.989 281 N HN 0.265 nan 8.380 nan 0.000 0.426 282 V N 0.641 120.464 119.914 -0.151 0.000 2.407 282 V HA -0.207 3.914 4.120 0.001 0.000 0.248 282 V C 2.114 178.181 176.094 -0.046 0.000 1.055 282 V CA 1.711 63.932 62.300 -0.132 0.000 1.049 282 V CB -0.847 30.832 31.823 -0.239 0.000 0.662 282 V HN 0.385 nan 8.190 nan 0.000 0.455 283 T N 0.517 115.050 114.554 -0.034 0.000 2.737 283 T HA -0.099 4.252 4.350 0.001 0.000 0.265 283 T C 1.912 176.630 174.700 0.029 0.000 1.038 283 T CA 1.191 63.307 62.100 0.027 0.000 1.144 283 T CB -0.300 68.619 68.868 0.084 0.000 0.866 283 T HN 0.145 nan 8.240 nan 0.000 0.434 284 L N 1.420 122.653 121.223 0.017 0.000 2.079 284 L HA -0.035 4.305 4.340 0.001 0.000 0.210 284 L C 2.824 179.738 176.870 0.073 0.000 1.081 284 L CA 1.590 56.451 54.840 0.035 0.000 0.752 284 L CB -1.645 40.422 42.059 0.014 0.000 0.896 284 L HN 0.256 nan 8.230 nan 0.000 0.433 285 A N -0.819 122.044 122.820 0.072 0.000 1.902 285 A HA -0.149 4.171 4.320 0.001 0.000 0.217 285 A C 2.063 179.724 177.584 0.128 0.000 1.181 285 A CA 1.269 53.396 52.037 0.149 0.000 0.623 285 A CB -0.709 18.346 19.000 0.092 0.000 0.818 285 A HN 0.404 nan 8.150 nan 0.000 0.443 286 L N -0.373 120.883 121.223 0.055 0.000 2.693 286 L HA 0.168 4.508 4.340 0.001 0.000 0.242 286 L C 1.344 178.225 176.870 0.019 0.000 1.157 286 L CA 0.341 55.193 54.840 0.021 0.000 0.929 286 L CB -0.877 41.189 42.059 0.012 0.000 1.103 286 L HN 0.603 nan 8.230 nan 0.000 0.430 287 G N 1.004 109.830 108.800 0.044 0.000 2.272 287 G HA2 -0.256 3.705 3.960 0.001 0.000 0.280 287 G HA3 -0.256 3.705 3.960 0.001 0.000 0.280 287 G C 0.079 174.996 174.900 0.028 0.000 1.067 287 G CA 0.436 45.558 45.100 0.037 0.000 0.902 287 G HN 0.519 nan 8.290 nan 0.000 0.500 288 S N -1.714 114.009 115.700 0.038 0.000 2.579 288 S HA 0.838 5.308 4.470 0.001 0.000 0.272 288 S C -0.357 174.273 174.600 0.051 0.000 1.141 288 S CA -0.025 58.199 58.200 0.040 0.000 0.843 288 S CB 1.965 65.188 63.200 0.039 0.000 1.122 288 S HN 1.457 nan 8.310 nan 0.000 0.468 289 S N 1.313 117.047 115.700 0.057 0.000 2.499 289 S HA 0.731 5.201 4.470 0.001 0.000 0.279 289 S C -2.986 171.664 174.600 0.084 0.000 1.219 289 S CA -1.316 56.920 58.200 0.060 0.000 1.062 289 S CB 0.518 63.749 63.200 0.052 0.000 0.978 289 S HN 0.609 nan 8.310 nan 0.000 0.489 290 P HA 0.557 nan 4.420 nan 0.000 0.301 290 P C -0.988 176.376 177.300 0.106 0.000 1.337 290 P CA -0.601 62.578 63.100 0.131 0.000 0.889 290 P CB 0.907 32.631 31.700 0.041 0.000 1.050 291 I N 4.038 124.697 120.570 0.148 0.000 2.465 291 I HA 0.329 4.500 4.170 0.001 0.000 0.291 291 I C 0.480 176.673 176.117 0.126 0.000 1.014 291 I CA -0.903 60.462 61.300 0.109 0.000 1.093 291 I CB 2.241 40.299 38.000 0.097 0.000 1.267 291 I HN 0.153 nan 8.210 nan 0.000 0.431 292 M N 4.720 124.370 119.600 0.084 0.000 3.123 292 M HA 0.164 4.645 4.480 0.001 0.000 0.283 292 M C 0.298 176.639 176.300 0.068 0.000 1.191 292 M CA -0.103 55.246 55.300 0.082 0.000 1.012 292 M CB -0.437 32.191 32.600 0.047 0.000 1.247 292 M HN 0.429 nan 8.290 nan 0.000 0.542 293 S N 1.273 117.017 115.700 0.074 0.000 2.513 293 S HA 0.286 4.757 4.470 0.001 0.000 0.276 293 S C 0.304 174.942 174.600 0.063 0.000 1.254 293 S CA -0.182 58.056 58.200 0.062 0.000 1.053 293 S CB 0.841 64.078 63.200 0.063 0.000 0.958 293 S HN 0.549 nan 8.310 nan 0.000 0.491 294 E N 4.209 124.440 120.200 0.051 0.000 2.939 294 E HA 0.311 4.662 4.350 0.001 0.000 0.215 294 E C -0.895 175.730 176.600 0.041 0.000 1.025 294 E CA -0.033 56.396 56.400 0.049 0.000 1.259 294 E CB 0.414 30.140 29.700 0.044 0.000 1.228 294 E HN 0.616 nan 8.360 nan 0.000 0.443 295 I N 1.622 122.217 120.570 0.041 0.000 2.330 295 I HA 0.064 4.234 4.170 0.001 0.000 0.289 295 I C 1.460 177.594 176.117 0.028 0.000 1.001 295 I CA -0.296 61.022 61.300 0.030 0.000 1.193 295 I CB 1.535 39.551 38.000 0.027 0.000 1.345 295 I HN 0.126 nan 8.210 nan 0.000 0.461 296 Q N 2.654 122.465 119.800 0.019 0.000 2.061 296 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 296 Q C 2.111 178.114 176.000 0.005 0.000 0.984 296 Q CA 2.335 58.145 55.803 0.011 0.000 0.846 296 Q CB 0.088 28.825 28.738 -0.000 0.000 0.902 296 Q HN 0.892 nan 8.270 nan 0.000 0.421 297 S N 0.801 116.502 115.700 0.003 0.000 2.368 297 S HA -0.177 4.294 4.470 0.001 0.000 0.225 297 S C 1.675 176.274 174.600 -0.001 0.000 1.030 297 S CA 1.117 59.315 58.200 -0.003 0.000 0.999 297 S CB -0.385 62.814 63.200 -0.003 0.000 0.844 297 S HN 0.340 nan 8.310 nan 0.000 0.459 298 E N 0.853 121.058 120.200 0.008 0.000 2.118 298 E HA -0.093 4.257 4.350 0.001 0.000 0.195 298 E C 2.076 178.681 176.600 0.007 0.000 0.992 298 E CA 1.029 57.435 56.400 0.010 0.000 0.804 298 E CB -0.440 29.274 29.700 0.022 0.000 0.741 298 E HN 0.329 nan 8.360 nan 0.000 0.458 299 V N 2.161 122.087 119.914 0.019 0.000 2.277 299 V HA -0.333 3.787 4.120 0.001 0.000 0.253 299 V C 1.976 178.052 176.094 -0.030 0.000 1.067 299 V CA 1.929 64.248 62.300 0.031 0.000 1.047 299 V CB -0.435 31.418 31.823 0.051 0.000 0.649 299 V HN 0.321 nan 8.190 nan 0.000 0.447 300 N N -0.373 118.301 118.700 -0.043 0.000 2.270 300 N HA -0.114 4.627 4.740 0.001 0.000 0.181 300 N C 1.486 176.943 175.510 -0.088 0.000 1.016 300 N CA 1.310 54.313 53.050 -0.078 0.000 0.870 300 N CB -0.267 38.186 38.487 -0.057 0.000 0.979 300 N HN 0.540 nan 8.380 nan 0.000 0.431 301 D N 0.365 120.731 120.400 -0.057 0.000 2.162 301 D HA -0.063 4.578 4.640 0.001 0.000 0.203 301 D C 1.995 178.261 176.300 -0.056 0.000 0.967 301 D CA 0.204 54.175 54.000 -0.049 0.000 0.840 301 D CB -0.108 40.677 40.800 -0.025 0.000 0.972 301 D HN 0.074 nan 8.370 nan 0.000 0.482 302 L N 1.461 122.656 121.223 -0.047 0.000 1.989 302 L HA -0.079 4.262 4.340 0.001 0.000 0.211 302 L C 2.244 179.049 176.870 -0.109 0.000 1.071 302 L CA 1.472 56.295 54.840 -0.029 0.000 0.749 302 L CB -1.169 40.911 42.059 0.035 0.000 0.890 302 L HN -0.047 nan 8.230 nan 0.000 0.431 303 A N -1.418 121.224 122.820 -0.297 0.000 2.248 303 A HA 0.057 4.377 4.320 0.001 0.000 0.210 303 A C 2.265 179.667 177.584 -0.304 0.000 1.174 303 A CA 1.217 52.899 52.037 -0.592 0.000 0.750 303 A CB -0.734 17.577 19.000 -1.149 0.000 0.780 303 A HN 0.435 nan 8.150 nan 0.000 0.478 304 A N -0.290 122.425 122.820 -0.174 0.000 2.021 304 A HA 0.276 4.596 4.320 0.001 0.000 0.216 304 A C 0.959 178.497 177.584 -0.077 0.000 1.163 304 A CA 0.038 52.008 52.037 -0.112 0.000 0.676 304 A CB -0.264 18.688 19.000 -0.080 0.000 0.818 304 A HN 0.453 nan 8.150 nan 0.000 0.453 305 I N 1.569 122.105 120.570 -0.057 0.000 2.618 305 I HA 0.077 4.248 4.170 0.001 0.000 0.284 305 I C -2.125 173.986 176.117 -0.011 0.000 1.146 305 I CA -1.688 59.601 61.300 -0.019 0.000 1.425 305 I CB 0.631 38.636 38.000 0.009 0.000 1.383 305 I HN 0.069 nan 8.210 nan 0.000 0.562 306 P HA -0.064 nan 4.420 nan 0.000 0.263 306 P C -0.405 176.927 177.300 0.053 0.000 1.175 306 P CA 0.535 63.613 63.100 -0.037 0.000 0.761 306 P CB 0.088 31.791 31.700 0.005 0.000 0.794 307 H N -0.951 118.136 119.070 0.030 0.000 2.820 307 H HA -0.174 4.382 4.556 0.001 0.000 0.295 307 H C 0.448 175.815 175.328 0.065 0.000 1.187 307 H CA 0.371 56.445 56.048 0.043 0.000 1.144 307 H CB -1.649 28.135 29.762 0.036 0.000 1.354 307 H HN 0.546 nan 8.280 nan 0.000 0.395 308 A N 0.404 123.313 122.820 0.148 0.000 2.351 308 A HA 0.631 4.951 4.320 0.001 0.000 0.257 308 A C 0.702 178.449 177.584 0.271 0.000 1.087 308 A CA 0.583 52.734 52.037 0.190 0.000 0.798 308 A CB 0.828 19.919 19.000 0.151 0.000 1.033 308 A HN 0.289 nan 8.150 nan 0.000 0.488 309 T N 0.660 115.372 114.554 0.264 0.000 2.900 309 T HA 0.501 4.852 4.350 0.001 0.000 0.303 309 T C -1.449 173.181 174.700 -0.117 0.000 1.142 309 T CA -0.319 61.857 62.100 0.125 0.000 1.007 309 T CB 1.311 70.202 68.868 0.038 0.000 1.156 309 T HN 0.652 nan 8.240 nan 0.000 0.490 310 L N 3.778 124.739 121.223 -0.437 0.000 2.319 310 L HA 0.680 5.020 4.340 0.001 0.000 0.281 310 L C -1.218 175.440 176.870 -0.352 0.000 1.005 310 L CA -0.730 53.743 54.840 -0.611 0.000 0.828 310 L CB 1.068 42.425 42.059 -1.170 0.000 1.227 310 L HN 0.501 nan 8.230 nan 0.000 0.415 311 L N 6.500 127.519 121.223 -0.341 0.000 2.325 311 L HA 0.628 4.969 4.340 0.001 0.000 0.278 311 L C -1.755 174.966 176.870 -0.249 0.000 1.023 311 L CA -0.663 53.993 54.840 -0.307 0.000 0.811 311 L CB 1.767 43.572 42.059 -0.423 0.000 1.249 311 L HN 0.784 nan 8.230 nan 0.000 0.431 312 L N 4.505 125.590 121.223 -0.232 0.000 2.528 312 L HA 0.399 4.740 4.340 0.001 0.000 0.267 312 L C -0.968 175.724 176.870 -0.297 0.000 0.961 312 L CA -0.297 54.427 54.840 -0.193 0.000 0.866 312 L CB 1.990 43.979 42.059 -0.118 0.000 1.248 312 L HN 0.713 nan 8.230 nan 0.000 0.404 313 N N 0.778 119.342 118.700 -0.227 0.000 2.448 313 N HA 0.603 5.344 4.740 0.001 0.000 0.274 313 N C -0.774 174.597 175.510 -0.232 0.000 1.239 313 N CA -0.238 52.643 53.050 -0.281 0.000 0.982 313 N CB 1.395 39.764 38.487 -0.197 0.000 1.199 313 N HN 0.459 nan 8.380 nan 0.000 0.576 314 T N -1.438 112.984 114.554 -0.219 0.000 2.940 314 T HA 0.548 4.898 4.350 0.001 0.000 0.288 314 T C 0.815 175.481 174.700 -0.057 0.000 1.045 314 T CA 0.055 62.088 62.100 -0.111 0.000 1.018 314 T CB 1.355 70.152 68.868 -0.118 0.000 1.151 314 T HN 0.684 nan 8.240 nan 0.000 0.529 315 G N 1.189 109.981 108.800 -0.014 0.000 2.184 315 G HA2 -0.294 3.666 3.960 0.001 0.000 0.264 315 G HA3 -0.294 3.666 3.960 0.001 0.000 0.264 315 G C 0.471 175.383 174.900 0.020 0.000 0.975 315 G CA 0.505 45.609 45.100 0.007 0.000 0.642 315 G HN 1.054 nan 8.290 nan 0.000 0.536 316 S N -0.875 114.834 115.700 0.015 0.000 2.566 316 S HA 0.301 4.772 4.470 0.001 0.000 0.280 316 S C 1.678 176.298 174.600 0.034 0.000 1.343 316 S CA 0.576 58.792 58.200 0.028 0.000 1.036 316 S CB 1.530 64.745 63.200 0.025 0.000 0.866 316 S HN 1.317 nan 8.310 nan 0.000 0.526 317 V N 4.121 124.056 119.914 0.035 0.000 3.041 317 V HA 0.238 4.358 4.120 0.001 0.000 0.260 317 V C 1.313 177.429 176.094 0.037 0.000 1.105 317 V CA 1.215 63.535 62.300 0.033 0.000 1.125 317 V CB -1.161 30.680 31.823 0.029 0.000 0.730 317 V HN 1.005 nan 8.190 nan 0.000 0.479 318 A N 1.740 124.585 122.820 0.042 0.000 2.531 318 A HA 0.392 4.712 4.320 0.001 0.000 0.236 318 A C -2.186 175.431 177.584 0.054 0.000 1.062 318 A CA -0.647 51.418 52.037 0.046 0.000 0.760 318 A CB -0.482 18.548 19.000 0.051 0.000 0.995 318 A HN 0.444 nan 8.150 nan 0.000 0.501 319 P HA 0.218 nan 4.420 nan 0.000 0.271 319 P C -2.055 175.291 177.300 0.078 0.000 1.216 319 P CA -1.334 61.799 63.100 0.056 0.000 0.776 319 P CB 0.228 31.953 31.700 0.040 0.000 0.881 320 P HA -0.224 nan 4.420 nan 0.000 0.217 320 P C 1.134 178.507 177.300 0.121 0.000 1.148 320 P CA 1.471 64.682 63.100 0.184 0.000 0.828 320 P CB -0.263 31.567 31.700 0.216 0.000 0.783 321 E N -0.409 119.823 120.200 0.054 0.000 2.401 321 E HA -0.191 4.159 4.350 0.001 0.000 0.199 321 E C 1.791 178.360 176.600 -0.052 0.000 1.023 321 E CA 1.012 57.399 56.400 -0.022 0.000 0.859 321 E CB -0.832 28.864 29.700 -0.007 0.000 0.780 321 E HN 0.323 nan 8.360 nan 0.000 0.523 322 M N 0.000 119.596 119.600 -0.008 0.000 2.545 322 M HA 0.179 4.659 4.480 0.001 0.000 0.264 322 M C 1.695 177.998 176.300 0.004 0.000 1.155 322 M CA 0.851 56.149 55.300 -0.004 0.000 1.162 322 M CB 0.069 32.683 32.600 0.022 0.000 1.330 322 M HN 0.047 nan 8.290 nan 0.000 0.479 323 L N 0.623 121.874 121.223 0.046 0.000 2.017 323 L HA -0.153 4.187 4.340 0.001 0.000 0.208 323 L C 2.705 179.577 176.870 0.004 0.000 1.073 323 L CA 1.877 56.779 54.840 0.105 0.000 0.745 323 L CB -1.164 41.038 42.059 0.237 0.000 0.894 323 L HN 0.446 nan 8.230 nan 0.000 0.432 324 K N 0.513 120.726 120.400 -0.311 0.000 2.113 324 K HA -0.218 4.103 4.320 0.001 0.000 0.208 324 K C 2.076 178.448 176.600 -0.379 0.000 1.047 324 K CA 1.503 57.253 56.287 -0.895 0.000 0.928 324 K CB -0.063 31.548 32.500 -1.483 0.000 0.716 324 K HN 0.316 nan 8.250 nan 0.000 0.446 325 A N 0.545 123.242 122.820 -0.206 0.000 1.930 325 A HA 0.040 4.361 4.320 0.001 0.000 0.215 325 A C 2.219 179.792 177.584 -0.018 0.000 1.176 325 A CA 1.404 53.377 52.037 -0.107 0.000 0.632 325 A CB -0.499 18.457 19.000 -0.073 0.000 0.819 325 A HN 0.453 nan 8.150 nan 0.000 0.445 326 A N 0.225 123.065 122.820 0.034 0.000 1.854 326 A HA 0.008 4.329 4.320 0.001 0.000 0.214 326 A C 2.072 179.783 177.584 0.213 0.000 1.192 326 A CA 1.293 53.414 52.037 0.141 0.000 0.611 326 A CB -0.676 18.408 19.000 0.140 0.000 0.832 326 A HN 0.428 nan 8.150 nan 0.000 0.442 327 I N -0.595 120.071 120.570 0.160 0.000 2.113 327 I HA -0.364 3.807 4.170 0.001 0.000 0.242 327 I C 2.726 178.937 176.117 0.157 0.000 1.064 327 I CA 2.193 63.611 61.300 0.196 0.000 1.320 327 I CB -0.311 37.831 38.000 0.237 0.000 1.028 327 I HN 0.387 nan 8.210 nan 0.000 0.406 328 R N 1.416 121.952 120.500 0.060 0.000 2.091 328 R HA -0.181 4.160 4.340 0.001 0.000 0.238 328 R C 2.210 178.543 176.300 0.055 0.000 1.136 328 R CA 1.895 58.008 56.100 0.021 0.000 0.959 328 R CB -0.597 29.669 30.300 -0.057 0.000 0.856 328 R HN 0.388 nan 8.270 nan 0.000 0.437 329 A N -0.857 122.003 122.820 0.067 0.000 1.972 329 A HA -0.151 4.170 4.320 0.001 0.000 0.219 329 A C 1.874 179.454 177.584 -0.008 0.000 1.169 329 A CA 1.357 53.405 52.037 0.018 0.000 0.635 329 A CB -0.685 18.313 19.000 -0.004 0.000 0.810 329 A HN 0.534 nan 8.150 nan 0.000 0.446 330 Y N -0.339 119.980 120.300 0.032 0.000 2.314 330 Y HA -0.041 4.510 4.550 0.001 0.000 0.294 330 Y C 2.304 178.237 175.900 0.054 0.000 1.119 330 Y CA 1.438 59.566 58.100 0.047 0.000 1.179 330 Y CB -0.333 38.168 38.460 0.069 0.000 1.025 330 Y HN 0.404 nan 8.280 nan 0.000 0.541 331 N N -0.170 118.648 118.700 0.197 0.000 2.309 331 N HA -0.162 4.579 4.740 0.001 0.000 0.182 331 N C 0.816 176.387 175.510 0.101 0.000 1.018 331 N CA 0.952 54.088 53.050 0.144 0.000 0.876 331 N CB -0.021 38.534 38.487 0.114 0.000 0.972 331 N HN 0.268 nan 8.380 nan 0.000 0.434 332 D N 0.012 120.448 120.400 0.060 0.000 2.178 332 D HA -0.054 4.587 4.640 0.001 0.000 0.202 332 D C 1.419 177.727 176.300 0.013 0.000 0.974 332 D CA 0.755 54.772 54.000 0.029 0.000 0.841 332 D CB 0.133 40.931 40.800 -0.002 0.000 0.953 332 D HN 0.076 nan 8.370 nan 0.000 0.478 333 V N 0.109 120.021 119.914 -0.002 0.000 3.621 333 V HA 0.086 4.207 4.120 0.001 0.000 0.285 333 V C 0.318 176.417 176.094 0.008 0.000 1.346 333 V CA -0.183 62.105 62.300 -0.021 0.000 1.104 333 V CB -0.701 31.077 31.823 -0.076 0.000 0.913 333 V HN 0.206 nan 8.190 nan 0.000 0.432 334 K N 0.939 121.369 120.400 0.051 0.000 3.244 334 K HA -0.174 4.147 4.320 0.001 0.000 0.270 334 K C -0.055 176.596 176.600 0.084 0.000 1.016 334 K CA 0.368 56.696 56.287 0.067 0.000 0.754 334 K CB -0.807 31.705 32.500 0.020 0.000 1.326 334 K HN 0.431 nan 8.250 nan 0.000 0.465 335 R N -0.180 120.410 120.500 0.150 0.000 2.787 335 R HA 0.416 4.757 4.340 0.001 0.000 0.271 335 R C -2.607 173.844 176.300 0.252 0.000 0.993 335 R CA -2.321 53.898 56.100 0.198 0.000 0.993 335 R CB 0.914 31.366 30.300 0.253 0.000 1.155 335 R HN -0.106 nan 8.270 nan 0.000 0.486 336 P HA 0.198 nan 4.420 nan 0.000 0.271 336 P C -0.414 176.952 177.300 0.109 0.000 1.220 336 P CA 0.229 63.435 63.100 0.178 0.000 0.768 336 P CB 0.429 32.209 31.700 0.134 0.000 0.848 337 I N 3.271 123.922 120.570 0.136 0.000 2.362 337 I HA 0.236 4.407 4.170 0.001 0.000 0.289 337 I C -0.279 175.872 176.117 0.057 0.000 0.994 337 I CA -1.069 60.273 61.300 0.070 0.000 1.158 337 I CB 1.821 39.988 38.000 0.277 0.000 1.315 337 I HN -0.029 nan 8.210 nan 0.000 0.451 338 V N 6.919 126.799 119.914 -0.057 0.000 2.350 338 V HA 0.275 4.396 4.120 0.001 0.000 0.276 338 V C -0.305 175.698 176.094 -0.151 0.000 1.028 338 V CA -0.517 61.739 62.300 -0.072 0.000 0.860 338 V CB 1.167 32.931 31.823 -0.098 0.000 0.990 338 V HN 0.406 nan 8.190 nan 0.000 0.453 339 F N 4.325 124.039 119.950 -0.394 0.000 2.399 339 F HA 0.686 5.213 4.527 0.001 0.000 0.334 339 F C -0.146 175.460 175.800 -0.324 0.000 1.097 339 F CA -0.645 57.027 58.000 -0.547 0.000 1.076 339 F CB 1.550 39.957 39.000 -0.989 0.000 1.162 339 F HN 0.575 nan 8.300 nan 0.000 0.495 340 D N 6.916 126.773 120.400 -0.904 0.000 2.375 340 D HA 0.338 4.979 4.640 0.001 0.000 0.241 340 D C -3.155 172.657 176.300 -0.814 0.000 1.361 340 D CA -2.072 51.534 54.000 -0.658 0.000 0.995 340 D CB 1.833 42.392 40.800 -0.402 0.000 1.312 340 D HN 0.087 nan 8.370 nan 0.000 0.576 341 P HA 0.218 nan 4.420 nan 0.000 0.291 341 P C -0.117 177.042 177.300 -0.235 0.000 1.378 341 P CA -0.655 62.149 63.100 -0.494 0.000 0.853 341 P CB 1.304 32.862 31.700 -0.236 0.000 1.002 342 V N 3.918 123.712 119.914 -0.199 0.000 2.055 342 V HA 0.542 4.663 4.120 0.001 0.000 0.248 342 V C 1.145 177.205 176.094 -0.057 0.000 1.476 342 V CA 0.591 62.826 62.300 -0.109 0.000 1.417 342 V CB -1.047 30.721 31.823 -0.090 0.000 1.465 342 V HN 0.909 nan 8.190 nan 0.000 0.502 347 T N -2.832 111.730 114.554 0.013 0.000 2.906 347 T HA 0.602 4.952 4.350 0.001 0.000 0.295 347 T C 0.365 175.073 174.700 0.013 0.000 1.075 347 T CA 0.131 62.238 62.100 0.013 0.000 1.005 347 T CB 2.168 71.043 68.868 0.012 0.000 1.136 347 T HN 0.081 nan 8.240 nan 0.000 0.498 348 E N 0.988 121.196 120.200 0.013 0.000 2.085 348 E HA -0.112 4.239 4.350 0.001 0.000 0.194 348 E C 1.940 178.549 176.600 0.014 0.000 0.994 348 E CA 1.738 58.147 56.400 0.014 0.000 0.801 348 E CB -0.583 29.125 29.700 0.013 0.000 0.743 348 E HN 0.821 nan 8.360 nan 0.000 0.453 349 T N 0.323 114.886 114.554 0.014 0.000 2.737 349 T HA -0.087 4.264 4.350 0.001 0.000 0.265 349 T C 2.030 176.740 174.700 0.015 0.000 1.038 349 T CA 1.108 63.217 62.100 0.015 0.000 1.144 349 T CB -0.109 68.768 68.868 0.016 0.000 0.866 349 T HN 0.130 nan 8.240 nan 0.000 0.434 350 R N 0.201 120.710 120.500 0.014 0.000 2.096 350 R HA 0.007 4.348 4.340 0.001 0.000 0.235 350 R C 2.359 178.668 176.300 0.015 0.000 1.127 350 R CA 0.786 56.894 56.100 0.013 0.000 0.968 350 R CB -0.541 29.763 30.300 0.007 0.000 0.861 350 R HN 0.230 nan 8.270 nan 0.000 0.440 351 L N 0.889 122.121 121.223 0.015 0.000 1.971 351 L HA -0.247 4.094 4.340 0.001 0.000 0.215 351 L C 1.948 178.824 176.870 0.011 0.000 1.072 351 L CA 1.841 56.691 54.840 0.017 0.000 0.758 351 L CB -0.632 41.437 42.059 0.018 0.000 0.889 351 L HN 0.160 nan 8.230 nan 0.000 0.433 352 L N -0.900 120.328 121.223 0.008 0.000 1.990 352 L HA -0.255 4.086 4.340 0.001 0.000 0.213 352 L C 2.665 179.530 176.870 -0.009 0.000 1.072 352 L CA 2.169 57.009 54.840 0.000 0.000 0.755 352 L CB -1.354 40.709 42.059 0.007 0.000 0.889 352 L HN 0.463 nan 8.230 nan 0.000 0.432 353 L N 0.334 121.560 121.223 0.005 0.000 2.042 353 L HA -0.209 4.132 4.340 0.001 0.000 0.210 353 L C 2.280 179.152 176.870 0.002 0.000 1.076 353 L CA 1.731 56.576 54.840 0.008 0.000 0.749 353 L CB -0.738 41.339 42.059 0.029 0.000 0.893 353 L HN 0.270 nan 8.230 nan 0.000 0.432 354 N N 0.267 118.982 118.700 0.026 0.000 2.120 354 N HA -0.181 4.560 4.740 0.001 0.000 0.188 354 N C 1.621 177.124 175.510 -0.011 0.000 1.024 354 N CA 1.907 55.001 53.050 0.073 0.000 0.852 354 N CB -0.594 37.946 38.487 0.088 0.000 1.003 354 N HN 0.586 nan 8.380 nan 0.000 0.424 355 N N 0.531 119.205 118.700 -0.042 0.000 2.309 355 N HA -0.087 4.653 4.740 0.001 0.000 0.182 355 N C 1.665 177.073 175.510 -0.170 0.000 1.018 355 N CA 0.519 53.517 53.050 -0.086 0.000 0.876 355 N CB 0.099 38.560 38.487 -0.043 0.000 0.972 355 N HN 0.263 nan 8.380 nan 0.000 0.434 356 K N 1.295 121.577 120.400 -0.196 0.000 2.057 356 K HA -0.021 4.300 4.320 0.001 0.000 0.206 356 K C 1.833 177.977 176.600 -0.760 0.000 1.050 356 K CA 0.691 56.764 56.287 -0.356 0.000 0.935 356 K CB 0.056 32.413 32.500 -0.239 0.000 0.715 356 K HN 0.133 nan 8.250 nan 0.000 0.439 357 L N 0.884 121.786 121.223 -0.534 0.000 2.131 357 L HA -0.164 4.176 4.340 0.001 0.000 0.210 357 L C 2.054 178.688 176.870 -0.395 0.000 1.092 357 L CA 0.881 55.423 54.840 -0.496 0.000 0.759 357 L CB -0.305 41.748 42.059 -0.010 0.000 0.903 357 L HN 0.235 nan 8.230 nan 0.000 0.435 358 L N -0.057 120.943 121.223 -0.372 0.000 2.622 358 L HA -0.075 4.266 4.340 0.001 0.000 0.233 358 L C 1.626 178.327 176.870 -0.282 0.000 1.156 358 L CA 0.881 55.505 54.840 -0.360 0.000 0.866 358 L CB -0.475 41.310 42.059 -0.456 0.000 0.980 358 L HN 0.423 nan 8.230 nan 0.000 0.448 359 T N -6.426 107.970 114.554 -0.263 0.000 3.145 359 T HA 0.171 4.521 4.350 0.001 0.000 0.281 359 T C 1.040 175.816 174.700 0.126 0.000 1.003 359 T CA -0.262 61.819 62.100 -0.032 0.000 0.901 359 T CB -0.261 68.625 68.868 0.030 0.000 1.112 359 T HN 0.139 nan 8.240 nan 0.000 0.535 360 F N 1.571 121.471 119.950 -0.084 0.000 2.619 360 F HA 0.494 5.021 4.527 0.001 0.000 0.293 360 F C 1.684 177.379 175.800 -0.176 0.000 1.119 360 F CA -0.102 57.843 58.000 -0.092 0.000 1.445 360 F CB 0.699 39.688 39.000 -0.019 0.000 1.119 360 F HN 0.539 nan 8.300 nan 0.000 0.573 361 G N -0.680 108.035 108.800 -0.142 0.000 2.428 361 G HA2 0.216 4.176 3.960 0.001 0.000 0.305 361 G HA3 0.216 4.176 3.960 0.001 0.000 0.305 361 G C -2.023 172.523 174.900 -0.591 0.000 1.260 361 G CA -0.543 44.397 45.100 -0.268 0.000 0.853 361 G HN -0.250 nan 8.290 nan 0.000 0.480 362 Q N 0.027 119.524 119.800 -0.505 0.000 2.322 362 Q HA 0.625 4.966 4.340 0.001 0.000 0.265 362 Q C -1.352 174.273 176.000 -0.625 0.000 0.985 362 Q CA -0.444 54.999 55.803 -0.600 0.000 0.849 362 Q CB 1.458 29.929 28.738 -0.444 0.000 1.274 362 Q HN 0.380 nan 8.270 nan 0.000 0.449 363 F N 0.147 119.933 119.950 -0.274 0.000 2.425 363 F HA 0.282 4.809 4.527 0.001 0.000 0.331 363 F C 1.524 177.254 175.800 -0.117 0.000 1.085 363 F CA -0.614 57.289 58.000 -0.161 0.000 1.028 363 F CB 1.614 40.536 39.000 -0.129 0.000 1.177 363 F HN 0.436 nan 8.300 nan 0.000 0.487 364 S N 0.100 115.952 115.700 0.254 0.000 2.478 364 S HA 0.029 4.499 4.470 0.001 0.000 0.222 364 S C -0.116 174.625 174.600 0.235 0.000 1.008 364 S CA 0.041 58.422 58.200 0.301 0.000 0.928 364 S CB 0.138 63.525 63.200 0.313 0.000 0.781 364 S HN 0.636 nan 8.310 nan 0.000 0.518 365 C N 1.126 120.543 119.300 0.194 0.000 3.006 365 C HA 0.581 5.041 4.460 0.001 0.000 0.359 365 C C -1.773 173.290 174.990 0.122 0.000 1.103 365 C CA -0.995 58.113 59.018 0.150 0.000 1.286 365 C CB 0.280 28.082 27.740 0.103 0.000 1.694 365 C HN 0.409 nan 8.230 nan 0.000 0.511 366 I N 5.450 126.100 120.570 0.134 0.000 2.411 366 I HA 0.394 4.565 4.170 0.001 0.000 0.284 366 I C -0.260 175.904 176.117 0.079 0.000 1.012 366 I CA -0.285 61.092 61.300 0.128 0.000 1.119 366 I CB 1.278 39.389 38.000 0.185 0.000 1.261 366 I HN 0.583 nan 8.210 nan 0.000 0.448 367 K N 5.448 125.849 120.400 0.001 0.000 2.182 367 K HA 0.800 5.121 4.320 0.001 0.000 0.262 367 K C -0.514 176.061 176.600 -0.043 0.000 0.957 367 K CA -0.356 55.916 56.287 -0.025 0.000 0.842 367 K CB 2.023 34.475 32.500 -0.081 0.000 1.099 367 K HN 0.801 nan 8.250 nan 0.000 0.438 368 G N 2.076 110.874 108.800 -0.004 0.000 2.660 368 G HA2 0.209 4.170 3.960 0.001 0.000 0.290 368 G HA3 0.209 4.170 3.960 0.001 0.000 0.290 368 G C -1.535 173.380 174.900 0.025 0.000 1.432 368 G CA -0.992 44.106 45.100 -0.003 0.000 0.807 368 G HN 0.771 nan 8.290 nan 0.000 0.485 369 N N -1.407 117.307 118.700 0.024 0.000 2.538 369 N HA 0.422 5.163 4.740 0.001 0.000 0.292 369 N C 1.798 177.347 175.510 0.065 0.000 1.262 369 N CA 0.321 53.399 53.050 0.046 0.000 0.976 369 N CB 0.916 39.425 38.487 0.038 0.000 1.161 369 N HN 0.647 nan 8.380 nan 0.000 0.598 370 S N -0.238 115.508 115.700 0.077 0.000 2.389 370 S HA -0.290 4.181 4.470 0.001 0.000 0.229 370 S C 1.754 176.394 174.600 0.065 0.000 1.048 370 S CA 1.883 60.134 58.200 0.084 0.000 1.117 370 S CB -1.393 61.856 63.200 0.082 0.000 1.020 370 S HN 0.557 nan 8.310 nan 0.000 0.430 371 S N 2.408 118.139 115.700 0.051 0.000 2.359 371 S HA -0.140 4.331 4.470 0.001 0.000 0.224 371 S C 1.961 176.586 174.600 0.042 0.000 1.035 371 S CA 1.631 59.856 58.200 0.042 0.000 1.018 371 S CB -0.622 62.598 63.200 0.033 0.000 0.876 371 S HN 0.785 nan 8.310 nan 0.000 0.448 372 E N 0.454 120.677 120.200 0.038 0.000 2.265 372 E HA -0.054 4.296 4.350 0.001 0.000 0.196 372 E C 1.619 178.254 176.600 0.059 0.000 0.996 372 E CA 0.607 57.028 56.400 0.035 0.000 0.832 372 E CB -0.083 29.623 29.700 0.010 0.000 0.756 372 E HN 0.384 nan 8.360 nan 0.000 0.491 373 I N 0.665 121.277 120.570 0.070 0.000 2.429 373 I HA -0.116 4.055 4.170 0.001 0.000 0.247 373 I C 2.259 178.426 176.117 0.083 0.000 1.099 373 I CA 0.823 62.177 61.300 0.090 0.000 1.422 373 I CB -0.618 37.445 38.000 0.105 0.000 1.112 373 I HN 0.168 nan 8.210 nan 0.000 0.430 374 L N 0.541 121.805 121.223 0.067 0.000 2.127 374 L HA -0.155 4.185 4.340 0.001 0.000 0.211 374 L C 2.540 179.441 176.870 0.052 0.000 1.089 374 L CA 1.438 56.310 54.840 0.053 0.000 0.757 374 L CB -0.975 41.110 42.059 0.043 0.000 0.899 374 L HN 0.288 nan 8.230 nan 0.000 0.434 375 G N -0.009 108.825 108.800 0.057 0.000 2.434 375 G HA2 -0.201 3.759 3.960 0.001 0.000 0.214 375 G HA3 -0.201 3.759 3.960 0.001 0.000 0.214 375 G C 1.578 176.525 174.900 0.078 0.000 1.202 375 G CA 0.327 45.461 45.100 0.057 0.000 0.788 375 G HN 0.212 nan 8.290 nan 0.000 0.539 376 L N 0.809 122.096 121.223 0.106 0.000 2.187 376 L HA -0.096 4.244 4.340 0.001 0.000 0.213 376 L C 3.216 180.180 176.870 0.155 0.000 1.100 376 L CA 0.917 55.860 54.840 0.171 0.000 0.765 376 L CB -0.173 42.018 42.059 0.219 0.000 0.904 376 L HN 0.343 nan 8.230 nan 0.000 0.437 377 A N -1.019 121.859 122.820 0.097 0.000 2.123 377 A HA -0.071 4.250 4.320 0.001 0.000 0.214 377 A C 0.859 178.460 177.584 0.028 0.000 1.152 377 A CA 0.315 52.384 52.037 0.053 0.000 0.728 377 A CB -0.051 18.976 19.000 0.045 0.000 0.814 377 A HN 0.515 nan 8.150 nan 0.000 0.464 378 E N -2.573 117.649 120.200 0.038 0.000 2.305 378 E HA -0.186 4.165 4.350 0.001 0.000 0.242 378 E C 0.283 176.892 176.600 0.015 0.000 1.143 378 E CA 0.083 56.498 56.400 0.024 0.000 0.716 378 E CB -2.801 26.906 29.700 0.012 0.000 1.255 378 E HN 0.863 nan 8.360 nan 0.000 0.391 395 N N -0.067 118.606 118.700 -0.044 0.000 2.372 395 N HA 0.326 5.067 4.740 0.001 0.000 0.242 395 N C 0.985 176.384 175.510 -0.185 0.000 1.124 395 N CA 0.440 53.442 53.050 -0.080 0.000 0.824 395 N CB 0.218 38.628 38.487 -0.128 0.000 1.468 395 N HN 0.594 nan 8.380 nan 0.000 0.470 396 E N 0.335 120.447 120.200 -0.147 0.000 2.265 396 E HA -0.128 4.223 4.350 0.001 0.000 0.196 396 E C 1.211 177.717 176.600 -0.157 0.000 0.996 396 E CA 0.574 56.878 56.400 -0.160 0.000 0.832 396 E CB 0.135 29.775 29.700 -0.101 0.000 0.756 396 E HN 0.152 nan 8.360 nan 0.000 0.491 397 L N 0.740 121.895 121.223 -0.114 0.000 2.023 397 L HA -0.106 4.235 4.340 0.001 0.000 0.205 397 L C 2.031 178.843 176.870 -0.096 0.000 1.073 397 L CA 1.398 56.189 54.840 -0.081 0.000 0.745 397 L CB -0.442 41.594 42.059 -0.039 0.000 0.900 397 L HN 0.109 nan 8.230 nan 0.000 0.435 398 L N -0.901 120.263 121.223 -0.099 0.000 2.013 398 L HA -0.301 4.039 4.340 0.001 0.000 0.212 398 L C 2.544 179.283 176.870 -0.218 0.000 1.073 398 L CA 1.557 56.357 54.840 -0.067 0.000 0.753 398 L CB -0.631 41.485 42.059 0.095 0.000 0.890 398 L HN 0.283 nan 8.230 nan 0.000 0.432 399 I N -0.456 119.803 120.570 -0.519 0.000 2.127 399 I HA -0.376 3.795 4.170 0.001 0.000 0.241 399 I C 2.678 178.665 176.117 -0.217 0.000 1.075 399 I CA 1.760 62.740 61.300 -0.533 0.000 1.334 399 I CB -0.596 37.057 38.000 -0.578 0.000 1.040 399 I HN 0.478 nan 8.210 nan 0.000 0.405 400 Q N 0.834 120.537 119.800 -0.163 0.000 2.170 400 Q HA -0.200 4.140 4.340 0.001 0.000 0.203 400 Q C 2.233 178.203 176.000 -0.049 0.000 0.976 400 Q CA 1.836 57.585 55.803 -0.091 0.000 0.858 400 Q CB 0.025 28.716 28.738 -0.078 0.000 0.907 400 Q HN 0.553 nan 8.270 nan 0.000 0.433 401 A N -0.363 122.434 122.820 -0.039 0.000 1.930 401 A HA -0.086 4.235 4.320 0.001 0.000 0.215 401 A C 2.134 179.743 177.584 0.041 0.000 1.176 401 A CA 1.497 53.538 52.037 0.007 0.000 0.632 401 A CB -0.595 18.416 19.000 0.019 0.000 0.819 401 A HN 0.421 nan 8.150 nan 0.000 0.445 402 T N 0.308 114.889 114.554 0.045 0.000 2.788 402 T HA -0.116 4.235 4.350 0.001 0.000 0.268 402 T C 1.867 176.624 174.700 0.095 0.000 1.044 402 T CA 1.612 63.772 62.100 0.100 0.000 1.139 402 T CB -0.151 68.803 68.868 0.145 0.000 0.867 402 T HN 0.496 nan 8.240 nan 0.000 0.454 403 K N 0.580 121.012 120.400 0.053 0.000 2.103 403 K HA 0.085 4.405 4.320 0.001 0.000 0.204 403 K C 2.247 178.896 176.600 0.080 0.000 1.052 403 K CA 0.909 57.230 56.287 0.058 0.000 0.945 403 K CB -0.290 32.214 32.500 0.007 0.000 0.722 403 K HN 0.361 nan 8.250 nan 0.000 0.443 404 I N 0.884 121.486 120.570 0.054 0.000 2.142 404 I HA -0.283 3.887 4.170 0.001 0.000 0.240 404 I C 2.347 178.503 176.117 0.065 0.000 1.078 404 I CA 1.074 62.410 61.300 0.060 0.000 1.343 404 I CB -0.559 37.454 38.000 0.021 0.000 1.046 404 I HN -0.118 nan 8.210 nan 0.000 0.405 405 V N 1.390 121.351 119.914 0.079 0.000 2.231 405 V HA -0.380 3.740 4.120 0.001 0.000 0.248 405 V C 2.822 178.999 176.094 0.137 0.000 1.054 405 V CA 2.273 64.649 62.300 0.126 0.000 1.015 405 V CB -1.270 30.671 31.823 0.197 0.000 0.638 405 V HN 0.545 nan 8.190 nan 0.000 0.444 406 A N -0.616 122.295 122.820 0.151 0.000 1.884 406 A HA -0.314 4.007 4.320 0.001 0.000 0.219 406 A C 2.151 179.811 177.584 0.127 0.000 1.197 406 A CA 2.556 54.686 52.037 0.155 0.000 0.637 406 A CB -0.852 18.241 19.000 0.156 0.000 0.827 406 A HN 0.555 nan 8.150 nan 0.000 0.450 407 F N 0.212 120.149 119.950 -0.022 0.000 2.039 407 F HA -0.144 4.384 4.527 0.001 0.000 0.294 407 F C 2.320 178.038 175.800 -0.136 0.000 1.130 407 F CA 2.364 60.326 58.000 -0.063 0.000 1.189 407 F CB -0.249 38.712 39.000 -0.065 0.000 0.983 407 F HN 0.198 nan 8.300 nan 0.000 0.471 408 K N -0.126 120.155 120.400 -0.198 0.000 2.049 408 K HA -0.289 4.032 4.320 0.001 0.000 0.219 408 K C 1.228 177.460 176.600 -0.614 0.000 1.056 408 K CA 2.452 58.443 56.287 -0.493 0.000 0.946 408 K CB -0.735 31.387 32.500 -0.629 0.000 0.723 408 K HN 0.510 nan 8.250 nan 0.000 0.453 409 Y N 0.955 121.149 120.300 -0.176 0.000 2.645 409 Y HA 0.198 4.749 4.550 0.001 0.000 0.307 409 Y C -0.358 175.395 175.900 -0.245 0.000 1.151 409 Y CA -0.741 57.243 58.100 -0.193 0.000 1.291 409 Y CB 0.489 38.899 38.460 -0.084 0.000 1.135 409 Y HN -0.107 nan 8.280 nan 0.000 0.523 410 K N 1.547 121.790 120.400 -0.262 0.000 3.834 410 K HA -0.236 4.084 4.320 0.001 0.000 0.276 410 K C -0.076 176.509 176.600 -0.024 0.000 0.850 410 K CA 1.080 57.206 56.287 -0.269 0.000 0.704 410 K CB -1.267 30.802 32.500 -0.718 0.000 1.644 410 K HN 0.476 nan 8.250 nan 0.000 0.440 411 T N -1.934 112.664 114.554 0.075 0.000 2.821 411 T HA 0.405 4.756 4.350 0.001 0.000 0.306 411 T C -0.924 173.886 174.700 0.184 0.000 1.313 411 T CA -0.645 61.547 62.100 0.153 0.000 1.012 411 T CB 1.612 70.573 68.868 0.155 0.000 1.298 411 T HN -0.042 nan 8.240 nan 0.000 0.502 412 V N 3.035 123.079 119.914 0.216 0.000 2.439 412 V HA 0.586 4.707 4.120 0.001 0.000 0.271 412 V C 0.793 177.010 176.094 0.205 0.000 1.040 412 V CA -0.255 62.185 62.300 0.233 0.000 1.002 412 V CB 0.095 32.082 31.823 0.274 0.000 1.000 412 V HN 0.983 nan 8.190 nan 0.000 0.477 413 A N 5.577 128.518 122.820 0.203 0.000 2.317 413 A HA 0.799 5.119 4.320 0.001 0.000 0.327 413 A C -0.576 177.113 177.584 0.176 0.000 1.178 413 A CA -0.506 51.639 52.037 0.181 0.000 0.817 413 A CB 1.330 20.439 19.000 0.182 0.000 1.189 413 A HN 0.618 nan 8.150 nan 0.000 0.489 414 V N 1.579 121.575 119.914 0.136 0.000 2.459 414 V HA 0.424 4.544 4.120 0.001 0.000 0.295 414 V C -0.336 175.827 176.094 0.116 0.000 1.029 414 V CA -0.574 61.798 62.300 0.119 0.000 0.874 414 V CB 1.320 33.180 31.823 0.060 0.000 0.985 414 V HN 1.019 nan 8.190 nan 0.000 0.438 415 C N 5.768 125.161 119.300 0.155 0.000 2.293 415 C HA 0.712 5.172 4.460 0.001 0.000 0.323 415 C C 0.708 175.757 174.990 0.099 0.000 1.240 415 C CA -0.345 58.769 59.018 0.160 0.000 1.497 415 C CB -0.103 27.801 27.740 0.274 0.000 2.171 415 C HN 1.029 nan 8.230 nan 0.000 0.465 416 T N 3.319 117.909 114.554 0.060 0.000 2.882 416 T HA 0.821 5.171 4.350 0.001 0.000 0.287 416 T C 0.444 175.173 174.700 0.047 0.000 0.992 416 T CA 0.336 62.455 62.100 0.031 0.000 1.076 416 T CB 1.646 70.528 68.868 0.024 0.000 0.961 416 T HN 1.434 nan 8.240 nan 0.000 0.490 417 G N 0.590 109.409 108.800 0.031 0.000 2.529 417 G HA2 0.528 4.488 3.960 0.001 0.000 0.238 417 G HA3 0.528 4.488 3.960 0.001 0.000 0.238 417 G C 0.507 175.433 174.900 0.044 0.000 1.207 417 G CA 0.287 45.422 45.100 0.059 0.000 0.928 417 G HN 0.778 nan 8.290 nan 0.000 0.495 418 E N -0.664 119.589 120.200 0.088 0.000 2.072 418 E HA 0.331 4.681 4.350 0.001 0.000 0.191 418 E C 0.766 177.305 176.600 -0.102 0.000 0.985 418 E CA 0.846 57.264 56.400 0.031 0.000 0.801 418 E CB -0.334 29.436 29.700 0.117 0.000 0.750 418 E HN 0.356 nan 8.360 nan 0.000 0.452 419 F N 0.643 120.490 119.950 -0.172 0.000 2.403 419 F HA 0.447 4.975 4.527 0.001 0.000 0.326 419 F C 0.091 175.566 175.800 -0.542 0.000 1.081 419 F CA -0.957 56.821 58.000 -0.370 0.000 1.041 419 F CB 1.796 40.474 39.000 -0.536 0.000 1.234 419 F HN -0.029 nan 8.300 nan 0.000 0.503 420 D N 2.240 122.418 120.400 -0.370 0.000 2.481 420 D HA 0.260 4.901 4.640 0.001 0.000 0.246 420 D C -1.102 174.999 176.300 -0.331 0.000 1.109 420 D CA -0.159 53.657 54.000 -0.308 0.000 0.845 420 D CB 1.512 42.257 40.800 -0.093 0.000 1.160 420 D HN 0.191 nan 8.370 nan 0.000 0.534 421 F N 2.159 122.192 119.950 0.138 0.000 2.404 421 F HA 0.425 4.953 4.527 0.001 0.000 0.354 421 F C 0.454 176.329 175.800 0.124 0.000 1.122 421 F CA -0.994 57.083 58.000 0.128 0.000 1.080 421 F CB 0.994 40.062 39.000 0.112 0.000 1.131 421 F HN 0.064 nan 8.300 nan 0.000 0.471 422 I N 2.912 123.664 120.570 0.302 0.000 2.525 422 I HA 0.738 4.909 4.170 0.001 0.000 0.301 422 I C -0.197 176.137 176.117 0.362 0.000 0.992 422 I CA -0.610 60.861 61.300 0.284 0.000 1.162 422 I CB 1.823 39.942 38.000 0.198 0.000 1.332 422 I HN 0.663 nan 8.210 nan 0.000 0.458 423 A N 3.022 126.048 122.820 0.343 0.000 2.455 423 A HA 0.621 4.942 4.320 0.001 0.000 0.300 423 A C -1.582 176.102 177.584 0.167 0.000 1.040 423 A CA -0.544 51.636 52.037 0.238 0.000 0.697 423 A CB 1.300 20.397 19.000 0.162 0.000 1.265 423 A HN 0.587 nan 8.150 nan 0.000 0.407 424 D N 2.039 122.391 120.400 -0.079 0.000 2.427 424 D HA 0.498 5.139 4.640 0.001 0.000 0.226 424 D C 0.718 177.004 176.300 -0.022 0.000 1.076 424 D CA 0.402 54.308 54.000 -0.157 0.000 0.849 424 D CB 1.287 41.684 40.800 -0.671 0.000 1.052 424 D HN 0.606 nan 8.370 nan 0.000 0.515 425 G N 1.947 110.802 108.800 0.090 0.000 3.774 425 G HA2 -0.028 3.933 3.960 0.001 0.000 0.287 425 G HA3 -0.028 3.933 3.960 0.001 0.000 0.287 425 G C 1.235 176.227 174.900 0.153 0.000 1.030 425 G CA 0.220 45.415 45.100 0.158 0.000 0.824 425 G HN 0.513 nan 8.290 nan 0.000 0.518 426 T N -0.972 113.686 114.554 0.175 0.000 2.942 426 T HA 0.031 4.381 4.350 0.001 0.000 0.265 426 T C 1.569 176.454 174.700 0.310 0.000 1.062 426 T CA 0.588 62.868 62.100 0.300 0.000 1.139 426 T CB -0.230 68.824 68.868 0.311 0.000 0.883 426 T HN 0.612 nan 8.240 nan 0.000 0.468 427 I N 1.699 122.384 120.570 0.191 0.000 6.379 427 I HA -0.292 3.879 4.170 0.001 0.000 0.126 427 I C 0.462 176.665 176.117 0.144 0.000 1.821 427 I CA 0.973 62.378 61.300 0.175 0.000 2.063 427 I CB -2.421 35.725 38.000 0.242 0.000 3.472 427 I HN 0.544 nan 8.210 nan 0.000 0.177 428 E N -0.866 119.389 120.200 0.091 0.000 3.547 428 E HA -0.312 4.039 4.350 0.001 0.000 0.300 428 E C 1.126 177.725 176.600 -0.002 0.000 0.857 428 E CA 1.016 57.434 56.400 0.030 0.000 1.039 428 E CB -1.369 28.340 29.700 0.016 0.000 1.524 428 E HN 1.282 nan 8.360 nan 0.000 0.457 429 G N 0.429 109.258 108.800 0.049 0.000 2.165 429 G HA2 -0.286 3.675 3.960 0.001 0.000 0.226 429 G HA3 -0.286 3.675 3.960 0.001 0.000 0.226 429 G C -0.116 174.727 174.900 -0.096 0.000 1.035 429 G CA 0.365 45.398 45.100 -0.112 0.000 0.744 429 G HN 0.037 nan 8.290 nan 0.000 0.501 430 K N -0.006 120.439 120.400 0.076 0.000 2.156 430 K HA 0.610 4.931 4.320 0.001 0.000 0.271 430 K C 0.024 176.769 176.600 0.242 0.000 0.995 430 K CA -0.487 55.831 56.287 0.052 0.000 0.890 430 K CB 1.400 33.931 32.500 0.052 0.000 1.073 430 K HN 0.592 nan 8.250 nan 0.000 0.454 431 Y N -1.830 118.547 120.300 0.127 0.000 2.634 431 Y HA 0.686 5.237 4.550 0.001 0.000 0.340 431 Y C -0.373 175.580 175.900 0.089 0.000 1.058 431 Y CA -1.164 57.028 58.100 0.153 0.000 1.081 431 Y CB 1.637 40.203 38.460 0.177 0.000 1.295 431 Y HN 0.571 nan 8.280 nan 0.000 0.487 432 S N 0.719 116.576 115.700 0.262 0.000 2.565 432 S HA 0.605 5.076 4.470 0.001 0.000 0.269 432 S C -1.694 173.015 174.600 0.181 0.000 1.153 432 S CA -1.182 57.114 58.200 0.161 0.000 0.835 432 S CB 0.927 64.170 63.200 0.072 0.000 1.122 432 S HN 0.881 nan 8.310 nan 0.000 0.462 433 L N 3.006 124.314 121.223 0.141 0.000 2.367 433 L HA 0.326 4.667 4.340 0.001 0.000 0.275 433 L C 1.411 178.334 176.870 0.089 0.000 1.129 433 L CA 0.309 55.217 54.840 0.113 0.000 0.839 433 L CB 0.608 42.728 42.059 0.102 0.000 1.133 433 L HN 1.234 nan 8.230 nan 0.000 0.453 434 S N 0.127 115.873 115.700 0.077 0.000 2.409 434 S HA -0.415 4.055 4.470 0.001 0.000 0.235 434 S C 1.871 176.507 174.600 0.060 0.000 1.289 434 S CA 1.922 60.158 58.200 0.061 0.000 1.702 434 S CB -1.483 61.755 63.200 0.064 0.000 2.277 434 S HN 0.851 nan 8.310 nan 0.000 0.660 435 K N 1.106 121.547 120.400 0.067 0.000 2.023 435 K HA -0.035 4.286 4.320 0.001 0.000 0.227 435 K C 2.653 179.287 176.600 0.056 0.000 1.054 435 K CA 3.176 59.499 56.287 0.060 0.000 0.977 435 K CB -1.764 30.773 32.500 0.062 0.000 0.733 435 K HN 1.377 nan 8.250 nan 0.000 0.451 436 G N -1.852 106.989 108.800 0.068 0.000 2.865 436 G HA2 0.261 4.221 3.960 0.001 0.000 0.204 436 G HA3 0.261 4.221 3.960 0.001 0.000 0.204 436 G C 1.105 176.071 174.900 0.111 0.000 1.140 436 G CA 0.968 46.122 45.100 0.089 0.000 0.842 436 G HN 0.641 nan 8.290 nan 0.000 0.631 437 T N 0.991 115.621 114.554 0.126 0.000 2.881 437 T HA 0.295 4.645 4.350 0.001 0.000 0.278 437 T C 0.067 174.823 174.700 0.093 0.000 0.982 437 T CA -0.619 61.566 62.100 0.142 0.000 0.989 437 T CB 0.600 69.598 68.868 0.218 0.000 1.058 437 T HN 0.053 nan 8.240 nan 0.000 0.529 438 N N 1.917 120.666 118.700 0.081 0.000 3.243 438 N HA 0.169 4.910 4.740 0.001 0.000 0.310 438 N C 1.180 176.709 175.510 0.032 0.000 1.313 438 N CA 0.593 53.672 53.050 0.049 0.000 1.204 438 N CB -0.236 38.276 38.487 0.041 0.000 1.483 438 N HN 0.934 nan 8.380 nan 0.000 0.553 439 G N 0.253 109.070 108.800 0.027 0.000 2.166 439 G HA2 -0.295 3.666 3.960 0.001 0.000 0.260 439 G HA3 -0.295 3.666 3.960 0.001 0.000 0.260 439 G C 0.234 175.123 174.900 -0.018 0.000 0.986 439 G CA 0.449 45.550 45.100 0.003 0.000 0.683 439 G HN 0.384 nan 8.290 nan 0.000 0.527 440 T N 1.830 116.384 114.554 -0.000 0.000 2.782 440 T HA 0.537 4.888 4.350 0.001 0.000 0.298 440 T C 0.750 175.363 174.700 -0.144 0.000 0.944 440 T CA 0.471 62.554 62.100 -0.030 0.000 1.001 440 T CB 0.952 69.847 68.868 0.044 0.000 0.932 440 T HN 0.937 nan 8.240 nan 0.000 0.524 441 S N 2.501 118.062 115.700 -0.232 0.000 2.722 441 S HA 0.427 4.897 4.470 0.001 0.000 0.292 441 S C 1.595 175.832 174.600 -0.605 0.000 1.135 441 S CA -0.946 57.000 58.200 -0.424 0.000 1.003 441 S CB 1.011 64.059 63.200 -0.254 0.000 1.067 441 S HN 0.220 nan 8.310 nan 0.000 0.546 442 V N 1.754 121.188 119.914 -0.800 0.000 2.252 442 V HA -0.241 3.880 4.120 0.001 0.000 0.255 442 V C 2.673 178.599 176.094 -0.280 0.000 1.071 442 V CA 2.525 64.488 62.300 -0.562 0.000 1.050 442 V CB -1.022 30.610 31.823 -0.319 0.000 0.654 442 V HN 0.902 nan 8.190 nan 0.000 0.448 443 E N 0.634 120.705 120.200 -0.216 0.000 2.209 443 E HA -0.187 4.164 4.350 0.001 0.000 0.196 443 E C 1.134 177.672 176.600 -0.103 0.000 0.993 443 E CA 1.516 57.837 56.400 -0.131 0.000 0.819 443 E CB -0.396 29.239 29.700 -0.109 0.000 0.745 443 E HN 0.984 nan 8.360 nan 0.000 0.477 444 D N -0.212 120.118 120.400 -0.116 0.000 2.650 444 D HA 0.115 4.755 4.640 0.001 0.000 0.265 444 D C 0.670 176.933 176.300 -0.061 0.000 1.339 444 D CA -0.412 53.543 54.000 -0.075 0.000 0.816 444 D CB -0.892 39.867 40.800 -0.069 0.000 1.091 444 D HN 0.150 nan 8.370 nan 0.000 0.483 445 I N -2.152 118.380 120.570 -0.063 0.000 2.581 445 I HA 0.459 4.630 4.170 0.001 0.000 0.288 445 I C -2.135 173.964 176.117 -0.030 0.000 1.047 445 I CA -2.303 58.975 61.300 -0.037 0.000 1.374 445 I CB 0.314 38.315 38.000 0.001 0.000 1.423 445 I HN -0.285 nan 8.210 nan 0.000 0.549 446 P HA -0.001 nan 4.420 nan 0.000 0.264 446 P C -0.860 176.453 177.300 0.023 0.000 1.193 446 P CA -0.128 62.947 63.100 -0.040 0.000 0.763 446 P CB 0.691 32.273 31.700 -0.196 0.000 0.810 447 C N 5.028 124.413 119.300 0.142 0.000 2.551 447 C HA 0.605 5.066 4.460 0.001 0.000 0.332 447 C C -0.397 174.747 174.990 0.256 0.000 1.139 447 C CA -0.358 58.782 59.018 0.203 0.000 1.328 447 C CB 0.580 28.396 27.740 0.127 0.000 1.903 447 C HN 0.563 nan 8.230 nan 0.000 0.459 448 V N 3.891 123.983 119.914 0.297 0.000 2.864 448 V HA 1.030 5.150 4.120 0.001 0.000 0.314 448 V C 0.015 176.272 176.094 0.272 0.000 1.073 448 V CA -0.084 62.345 62.300 0.216 0.000 0.956 448 V CB 1.497 33.388 31.823 0.114 0.000 1.023 448 V HN 1.424 nan 8.190 nan 0.000 0.435 449 A N 2.777 125.751 122.820 0.256 0.000 2.299 449 A HA 0.975 5.295 4.320 0.001 0.000 0.332 449 A C -0.729 176.929 177.584 0.124 0.000 1.131 449 A CA -0.804 51.402 52.037 0.281 0.000 0.844 449 A CB 1.914 21.182 19.000 0.447 0.000 1.251 449 A HN 1.574 nan 8.150 nan 0.000 0.486 450 V N 1.174 121.115 119.914 0.045 0.000 2.777 450 V HA 0.551 4.672 4.120 0.001 0.000 0.306 450 V C -1.089 174.943 176.094 -0.103 0.000 1.112 450 V CA -0.464 61.832 62.300 -0.008 0.000 0.917 450 V CB 1.854 33.674 31.823 -0.006 0.000 1.018 450 V HN 1.149 nan 8.190 nan 0.000 0.426 451 E N 3.494 123.604 120.200 -0.149 0.000 2.449 451 E HA 0.919 5.270 4.350 0.001 0.000 0.278 451 E C -0.429 176.053 176.600 -0.197 0.000 0.992 451 E CA -0.596 55.610 56.400 -0.322 0.000 0.807 451 E CB 2.328 31.581 29.700 -0.746 0.000 1.350 451 E HN 0.751 nan 8.360 nan 0.000 0.462 452 A N 0.834 123.528 122.820 -0.209 0.000 2.639 452 A HA 0.680 5.000 4.320 0.001 0.000 0.221 452 A C 0.631 178.146 177.584 -0.113 0.000 0.879 452 A CA 0.157 52.124 52.037 -0.116 0.000 1.189 452 A CB -0.469 18.495 19.000 -0.061 0.000 1.231 452 A HN 1.548 nan 8.150 nan 0.000 0.457 453 G N 0.815 109.515 108.800 -0.166 0.000 2.814 453 G HA2 0.002 3.962 3.960 0.001 0.000 0.677 453 G HA3 0.002 3.962 3.960 0.001 0.000 0.677 453 G C -2.239 172.602 174.900 -0.099 0.000 1.429 453 G CA -0.379 44.651 45.100 -0.118 0.000 0.868 453 G HN 0.620 nan 8.290 nan 0.000 0.553 454 P HA 0.515 nan 4.420 nan 0.000 0.267 454 P C 0.197 177.467 177.300 -0.051 0.000 1.200 454 P CA 0.184 63.256 63.100 -0.046 0.000 0.772 454 P CB 0.669 32.354 31.700 -0.025 0.000 0.855 466 C N 2.106 121.428 119.300 0.037 0.000 2.626 466 C HA 0.379 4.840 4.460 0.001 0.000 0.266 466 C C 2.889 177.803 174.990 -0.128 0.000 1.317 466 C CA 1.075 60.025 59.018 -0.114 0.000 1.716 466 C CB -1.132 26.440 27.740 -0.279 0.000 1.819 466 C HN 0.539 nan 8.230 nan 0.000 0.578 467 S N 1.071 116.705 115.700 -0.111 0.000 2.414 467 S HA -0.110 4.361 4.470 0.001 0.000 0.227 467 S C 1.662 176.041 174.600 -0.368 0.000 1.022 467 S CA 0.635 58.689 58.200 -0.244 0.000 0.958 467 S CB -0.307 62.847 63.200 -0.077 0.000 0.797 467 S HN 0.561 nan 8.310 nan 0.000 0.493 468 L N 2.941 123.771 121.223 -0.656 0.000 1.989 468 L HA 0.021 4.361 4.340 0.001 0.000 0.211 468 L C 2.352 179.011 176.870 -0.351 0.000 1.071 468 L CA 2.181 56.566 54.840 -0.759 0.000 0.749 468 L CB -1.478 40.145 42.059 -0.727 0.000 0.890 468 L HN 0.299 nan 8.230 nan 0.000 0.431 469 G N -1.379 107.263 108.800 -0.264 0.000 2.505 469 G HA2 -0.333 3.628 3.960 0.001 0.000 0.220 469 G HA3 -0.333 3.628 3.960 0.001 0.000 0.220 469 G C 1.578 176.385 174.900 -0.155 0.000 1.145 469 G CA 1.170 46.155 45.100 -0.191 0.000 0.761 469 G HN 0.522 nan 8.290 nan 0.000 0.571 470 S N 0.102 115.724 115.700 -0.131 0.000 2.383 470 S HA -0.093 4.378 4.470 0.001 0.000 0.227 470 S C 2.562 177.127 174.600 -0.058 0.000 1.026 470 S CA 1.705 59.879 58.200 -0.043 0.000 0.981 470 S CB -0.393 62.820 63.200 0.022 0.000 0.818 470 S HN 0.526 nan 8.310 nan 0.000 0.472 471 T N 3.069 117.565 114.554 -0.097 0.000 2.668 471 T HA 0.048 4.398 4.350 0.001 0.000 0.262 471 T C 1.798 176.471 174.700 -0.046 0.000 1.045 471 T CA 1.076 63.143 62.100 -0.055 0.000 1.152 471 T CB -0.555 68.286 68.868 -0.045 0.000 0.864 471 T HN 0.264 nan 8.240 nan 0.000 0.419 472 I N 1.846 122.371 120.570 -0.074 0.000 2.143 472 I HA -0.324 3.846 4.170 0.001 0.000 0.245 472 I C 3.012 179.111 176.117 -0.030 0.000 1.068 472 I CA 1.588 62.861 61.300 -0.045 0.000 1.326 472 I CB -0.738 37.226 38.000 -0.060 0.000 1.028 472 I HN 0.248 nan 8.210 nan 0.000 0.412 473 A N -0.173 122.613 122.820 -0.057 0.000 1.917 473 A HA -0.277 4.044 4.320 0.001 0.000 0.219 473 A C 2.433 180.004 177.584 -0.023 0.000 1.182 473 A CA 2.212 54.213 52.037 -0.059 0.000 0.633 473 A CB -1.230 17.693 19.000 -0.127 0.000 0.819 473 A HN 0.590 nan 8.150 nan 0.000 0.448 474 C N -1.079 118.214 119.300 -0.013 0.000 2.457 474 C HA -0.032 4.428 4.460 0.001 0.000 0.278 474 C C 2.898 177.896 174.990 0.014 0.000 1.309 474 C CA 1.144 60.166 59.018 0.007 0.000 1.735 474 C CB -0.922 26.825 27.740 0.010 0.000 1.992 474 C HN 0.581 nan 8.230 nan 0.000 0.493 475 M N 0.613 120.223 119.600 0.016 0.000 2.123 475 M HA -0.009 4.472 4.480 0.001 0.000 0.263 475 M C 1.968 178.290 176.300 0.037 0.000 1.069 475 M CA 1.716 57.032 55.300 0.027 0.000 1.133 475 M CB -1.244 31.377 32.600 0.034 0.000 1.356 475 M HN 0.335 nan 8.290 nan 0.000 0.415 476 I N -0.104 120.492 120.570 0.042 0.000 2.361 476 I HA -0.165 4.006 4.170 0.001 0.000 0.251 476 I C 2.552 178.713 176.117 0.074 0.000 1.133 476 I CA 1.168 62.506 61.300 0.063 0.000 1.413 476 I CB -1.008 37.033 38.000 0.068 0.000 1.073 476 I HN 0.323 nan 8.210 nan 0.000 0.424 477 G N 0.665 109.503 108.800 0.062 0.000 2.402 477 G HA2 -0.158 3.803 3.960 0.001 0.000 0.216 477 G HA3 -0.158 3.803 3.960 0.001 0.000 0.216 477 G C 1.707 176.667 174.900 0.100 0.000 1.162 477 G CA 0.807 45.961 45.100 0.089 0.000 0.777 477 G HN 0.495 nan 8.290 nan 0.000 0.539 478 G N -0.429 108.380 108.800 0.015 0.000 2.551 478 G HA2 0.062 4.023 3.960 0.001 0.000 0.216 478 G HA3 0.062 4.023 3.960 0.001 0.000 0.216 478 G C 0.867 175.736 174.900 -0.053 0.000 1.137 478 G CA -0.133 44.901 45.100 -0.111 0.000 0.798 478 G HN 0.309 nan 8.290 nan 0.000 0.536 479 Q N 1.234 121.061 119.800 0.044 0.000 2.326 479 Q HA 0.117 4.458 4.340 0.001 0.000 0.314 479 Q C -2.095 173.986 176.000 0.134 0.000 1.091 479 Q CA -0.539 55.307 55.803 0.071 0.000 0.974 479 Q CB 0.733 29.516 28.738 0.075 0.000 1.220 479 Q HN 0.247 nan 8.270 nan 0.000 0.398 480 P HA 0.193 nan 4.420 nan 0.000 0.287 480 P C 0.538 177.884 177.300 0.076 0.000 1.296 480 P CA -0.529 62.652 63.100 0.134 0.000 0.811 480 P CB 0.616 32.372 31.700 0.093 0.000 1.211 481 S N -0.430 115.300 115.700 0.050 0.000 2.372 481 S HA -0.212 4.259 4.470 0.001 0.000 0.227 481 S C 1.017 175.627 174.600 0.017 0.000 1.044 481 S CA 1.895 60.106 58.200 0.018 0.000 1.050 481 S CB -0.907 62.297 63.200 0.007 0.000 0.901 481 S HN 0.510 nan 8.310 nan 0.000 0.447 482 E N 0.896 121.111 120.200 0.025 0.000 2.445 482 E HA 0.299 4.650 4.350 0.001 0.000 0.189 482 E C 0.894 177.515 176.600 0.036 0.000 1.069 482 E CA 0.200 56.615 56.400 0.024 0.000 0.871 482 E CB -0.410 29.303 29.700 0.021 0.000 0.991 482 E HN 0.450 nan 8.360 nan 0.000 0.481 483 G N 0.880 109.707 108.800 0.044 0.000 2.525 483 G HA2 0.150 4.110 3.960 0.001 0.000 0.276 483 G HA3 0.150 4.110 3.960 0.001 0.000 0.276 483 G C -0.404 174.542 174.900 0.077 0.000 1.388 483 G CA -0.524 44.612 45.100 0.060 0.000 1.050 483 G HN 0.274 nan 8.290 nan 0.000 0.520 484 N N -1.868 116.899 118.700 0.112 0.000 2.336 484 N HA 0.264 5.005 4.740 0.001 0.000 0.290 484 N C 0.586 176.177 175.510 0.136 0.000 1.058 484 N CA -0.715 52.417 53.050 0.135 0.000 0.865 484 N CB 1.832 40.454 38.487 0.225 0.000 1.581 484 N HN 0.263 nan 8.380 nan 0.000 0.480 485 L N 3.769 125.063 121.223 0.119 0.000 2.141 485 L HA 0.218 4.558 4.340 0.001 0.000 0.209 485 L C 1.264 178.248 176.870 0.190 0.000 1.094 485 L CA 1.622 56.544 54.840 0.137 0.000 0.763 485 L CB -0.866 41.271 42.059 0.130 0.000 0.908 485 L HN 0.733 nan 8.230 nan 0.000 0.437 486 F N 0.048 119.994 119.950 -0.006 0.000 2.039 486 F HA -0.194 4.334 4.527 0.001 0.000 0.294 486 F C 2.708 178.482 175.800 -0.045 0.000 1.130 486 F CA 1.915 59.881 58.000 -0.058 0.000 1.189 486 F CB -0.805 38.094 39.000 -0.167 0.000 0.983 486 F HN 0.238 nan 8.300 nan 0.000 0.471 487 H N 0.014 119.096 119.070 0.019 0.000 2.460 487 H HA -0.119 4.438 4.556 0.001 0.000 0.297 487 H C 2.215 177.492 175.328 -0.085 0.000 1.103 487 H CA 1.246 57.231 56.048 -0.105 0.000 1.292 487 H CB -0.902 28.854 29.762 -0.010 0.000 1.376 487 H HN 0.384 nan 8.280 nan 0.000 0.531 488 A N 0.567 123.440 122.820 0.087 0.000 1.841 488 A HA -0.096 4.225 4.320 0.001 0.000 0.214 488 A C 2.819 180.414 177.584 0.019 0.000 1.195 488 A CA 1.547 53.620 52.037 0.060 0.000 0.611 488 A CB -0.889 18.156 19.000 0.075 0.000 0.835 488 A HN 0.213 nan 8.150 nan 0.000 0.443 489 V N -0.259 119.660 119.914 0.008 0.000 2.568 489 V HA -0.222 3.899 4.120 0.001 0.000 0.253 489 V C 2.467 178.523 176.094 -0.063 0.000 1.072 489 V CA 1.921 64.218 62.300 -0.005 0.000 1.084 489 V CB -0.665 31.186 31.823 0.046 0.000 0.676 489 V HN 0.361 nan 8.190 nan 0.000 0.469 490 V N -0.193 119.624 119.914 -0.163 0.000 2.379 490 V HA -0.107 4.013 4.120 0.001 0.000 0.243 490 V C 2.662 178.731 176.094 -0.041 0.000 1.035 490 V CA 1.582 63.779 62.300 -0.171 0.000 1.035 490 V CB -0.757 30.857 31.823 -0.348 0.000 0.673 490 V HN 0.532 nan 8.190 nan 0.000 0.457 491 A N 0.668 123.485 122.820 -0.005 0.000 1.892 491 A HA -0.197 4.124 4.320 0.001 0.000 0.218 491 A C 2.408 180.059 177.584 0.112 0.000 1.188 491 A CA 2.282 54.361 52.037 0.069 0.000 0.631 491 A CB -1.398 17.642 19.000 0.068 0.000 0.822 491 A HN 0.540 nan 8.150 nan 0.000 0.447 492 G N -0.564 108.275 108.800 0.065 0.000 2.491 492 G HA2 -0.201 3.760 3.960 0.001 0.000 0.218 492 G HA3 -0.201 3.760 3.960 0.001 0.000 0.218 492 G C 1.515 176.461 174.900 0.076 0.000 1.180 492 G CA 1.467 46.603 45.100 0.059 0.000 0.774 492 G HN 0.399 nan 8.290 nan 0.000 0.562 493 V N 1.254 121.198 119.914 0.051 0.000 2.490 493 V HA -0.193 3.927 4.120 0.001 0.000 0.250 493 V C 2.938 179.108 176.094 0.126 0.000 1.061 493 V CA 1.852 64.193 62.300 0.069 0.000 1.064 493 V CB -0.364 31.475 31.823 0.027 0.000 0.670 493 V HN 0.347 nan 8.190 nan 0.000 0.461 494 M N -1.064 118.619 119.600 0.138 0.000 2.123 494 M HA -0.102 4.379 4.480 0.001 0.000 0.263 494 M C 2.323 178.767 176.300 0.239 0.000 1.069 494 M CA 1.693 57.116 55.300 0.204 0.000 1.133 494 M CB -0.792 31.955 32.600 0.245 0.000 1.356 494 M HN 0.288 nan 8.290 nan 0.000 0.415 495 L N -0.607 120.757 121.223 0.235 0.000 2.043 495 L HA -0.291 4.050 4.340 0.001 0.000 0.212 495 L C 2.633 179.440 176.870 -0.104 0.000 1.075 495 L CA 1.961 56.766 54.840 -0.059 0.000 0.752 495 L CB -0.529 41.532 42.059 0.003 0.000 0.891 495 L HN 0.232 nan 8.230 nan 0.000 0.432 496 Y N 0.496 120.746 120.300 -0.082 0.000 2.184 496 Y HA -0.260 4.291 4.550 0.001 0.000 0.290 496 Y C 2.580 178.449 175.900 -0.052 0.000 1.129 496 Y CA 1.792 59.848 58.100 -0.074 0.000 1.144 496 Y CB -0.027 38.411 38.460 -0.037 0.000 0.995 496 Y HN -0.019 nan 8.280 nan 0.000 0.513 497 K N 0.369 120.814 120.400 0.075 0.000 2.280 497 K HA -0.060 4.260 4.320 0.001 0.000 0.202 497 K C 2.023 178.580 176.600 -0.072 0.000 1.047 497 K CA 1.069 57.355 56.287 -0.002 0.000 0.942 497 K CB -0.406 32.128 32.500 0.057 0.000 0.739 497 K HN 0.418 nan 8.250 nan 0.000 0.457 498 A N 0.224 122.990 122.820 -0.090 0.000 1.855 498 A HA 0.049 4.370 4.320 0.001 0.000 0.213 498 A C 2.316 179.757 177.584 -0.239 0.000 1.195 498 A CA 1.483 53.435 52.037 -0.141 0.000 0.610 498 A CB -0.965 17.891 19.000 -0.239 0.000 0.837 498 A HN 0.312 nan 8.150 nan 0.000 0.444 499 A N -0.276 122.349 122.820 -0.326 0.000 1.978 499 A HA 0.077 4.398 4.320 0.001 0.000 0.220 499 A C 2.363 179.770 177.584 -0.295 0.000 1.170 499 A CA 2.011 53.855 52.037 -0.321 0.000 0.636 499 A CB -1.399 17.397 19.000 -0.340 0.000 0.810 499 A HN 0.733 nan 8.150 nan 0.000 0.448 500 G N -0.599 108.017 108.800 -0.307 0.000 2.459 500 G HA2 -0.155 3.806 3.960 0.001 0.000 0.217 500 G HA3 -0.155 3.806 3.960 0.001 0.000 0.217 500 G C 1.792 176.690 174.900 -0.002 0.000 1.183 500 G CA 2.381 47.383 45.100 -0.165 0.000 0.776 500 G HN 0.813 nan 8.290 nan 0.000 0.552 501 K N 0.716 121.091 120.400 -0.040 0.000 2.057 501 K HA 0.149 4.470 4.320 0.001 0.000 0.207 501 K C 2.404 179.000 176.600 -0.007 0.000 1.049 501 K CA 1.371 57.653 56.287 -0.008 0.000 0.931 501 K CB -0.684 31.805 32.500 -0.018 0.000 0.714 501 K HN 0.433 nan 8.250 nan 0.000 0.440 502 I N 0.528 121.063 120.570 -0.059 0.000 2.286 502 I HA -0.201 3.970 4.170 0.001 0.000 0.248 502 I C 2.996 179.080 176.117 -0.056 0.000 1.115 502 I CA 1.081 62.342 61.300 -0.065 0.000 1.392 502 I CB -0.228 37.705 38.000 -0.111 0.000 1.065 502 I HN 0.415 nan 8.210 nan 0.000 0.418 503 A N 0.682 123.445 122.820 -0.095 0.000 1.873 503 A HA -0.206 4.114 4.320 0.001 0.000 0.215 503 A C 2.471 180.133 177.584 0.130 0.000 1.186 503 A CA 1.908 53.866 52.037 -0.131 0.000 0.616 503 A CB -0.860 17.793 19.000 -0.579 0.000 0.823 503 A HN 0.493 nan 8.150 nan 0.000 0.442 504 S N -0.282 115.605 115.700 0.313 0.000 2.469 504 S HA -0.155 4.315 4.470 0.001 0.000 0.238 504 S C 1.431 176.102 174.600 0.118 0.000 0.998 504 S CA 1.583 59.958 58.200 0.292 0.000 0.957 504 S CB -0.306 62.988 63.200 0.157 0.000 0.764 504 S HN 0.664 nan 8.310 nan 0.000 0.514 505 E N 0.763 121.006 120.200 0.073 0.000 2.216 505 E HA 0.142 4.493 4.350 0.001 0.000 0.192 505 E C 1.681 178.297 176.600 0.027 0.000 0.973 505 E CA 0.450 56.870 56.400 0.034 0.000 0.851 505 E CB 0.143 29.853 29.700 0.016 0.000 0.804 505 E HN 0.557 nan 8.360 nan 0.000 0.477 506 K N 0.384 120.798 120.400 0.024 0.000 2.404 506 K HA 0.104 4.425 4.320 0.001 0.000 0.194 506 K C 0.512 177.122 176.600 0.018 0.000 1.023 506 K CA -0.028 56.264 56.287 0.008 0.000 1.094 506 K CB 0.192 32.682 32.500 -0.017 0.000 0.841 506 K HN 0.181 nan 8.250 nan 0.000 0.523 507 C N -0.913 118.418 119.300 0.052 0.000 2.423 507 C HA 0.466 4.927 4.460 0.001 0.000 0.378 507 C C 0.773 175.791 174.990 0.046 0.000 1.244 507 C CA -0.941 58.116 59.018 0.066 0.000 1.978 507 C CB 0.993 28.831 27.740 0.165 0.000 2.252 507 C HN 0.216 nan 8.230 nan 0.000 0.526 508 N N 0.087 118.810 118.700 0.039 0.000 2.171 508 N HA 0.435 5.175 4.740 0.001 0.000 0.212 508 N C 0.369 175.887 175.510 0.013 0.000 1.184 508 N CA 1.001 54.062 53.050 0.018 0.000 0.888 508 N CB 1.238 39.730 38.487 0.007 0.000 1.038 508 N HN 1.249 nan 8.380 nan 0.000 0.517 509 G N -0.610 108.206 108.800 0.028 0.000 2.368 509 G HA2 -0.063 3.898 3.960 0.001 0.000 0.302 509 G HA3 -0.063 3.898 3.960 0.001 0.000 0.302 509 G C 0.246 175.164 174.900 0.031 0.000 1.329 509 G CA -0.234 44.871 45.100 0.007 0.000 0.935 509 G HN -0.091 nan 8.290 nan 0.000 0.590 510 S N -0.375 115.323 115.700 -0.004 0.000 2.392 510 S HA -0.146 4.324 4.470 0.001 0.000 0.232 510 S C 2.554 177.177 174.600 0.038 0.000 1.041 510 S CA 2.694 60.898 58.200 0.006 0.000 1.026 510 S CB -0.635 62.545 63.200 -0.032 0.000 0.845 510 S HN 1.535 nan 8.310 nan 0.000 0.465 511 G N 1.756 110.561 108.800 0.009 0.000 2.453 511 G HA2 -0.208 3.752 3.960 0.001 0.000 0.215 511 G HA3 -0.208 3.752 3.960 0.001 0.000 0.215 511 G C 1.664 176.563 174.900 -0.002 0.000 1.201 511 G CA 1.302 46.394 45.100 -0.013 0.000 0.784 511 G HN 0.689 nan 8.290 nan 0.000 0.545 512 S N -0.079 115.633 115.700 0.019 0.000 2.461 512 S HA 0.036 4.506 4.470 0.001 0.000 0.228 512 S C 2.041 176.656 174.600 0.025 0.000 1.005 512 S CA 0.887 59.092 58.200 0.008 0.000 0.942 512 S CB -0.385 62.818 63.200 0.005 0.000 0.776 512 S HN 0.307 nan 8.310 nan 0.000 0.514 513 F N 2.390 122.305 119.950 -0.057 0.000 2.171 513 F HA -0.061 4.467 4.527 0.001 0.000 0.300 513 F C 2.611 178.378 175.800 -0.054 0.000 1.090 513 F CA 1.865 59.832 58.000 -0.055 0.000 1.293 513 F CB -0.439 38.529 39.000 -0.054 0.000 1.013 513 F HN 0.264 nan 8.300 nan 0.000 0.486 514 Q N -0.467 119.302 119.800 -0.051 0.000 2.172 514 Q HA -0.141 4.200 4.340 0.001 0.000 0.200 514 Q C 2.241 178.150 176.000 -0.152 0.000 0.964 514 Q CA 1.499 57.203 55.803 -0.163 0.000 0.855 514 Q CB -0.141 28.458 28.738 -0.232 0.000 0.918 514 Q HN 0.424 nan 8.270 nan 0.000 0.444 515 V N -0.016 119.824 119.914 -0.123 0.000 3.052 515 V HA -0.050 4.071 4.120 0.001 0.000 0.254 515 V C 1.501 177.529 176.094 -0.110 0.000 1.100 515 V CA 1.179 63.429 62.300 -0.082 0.000 1.112 515 V CB 0.022 31.806 31.823 -0.064 0.000 0.738 515 V HN 0.280 nan 8.190 nan 0.000 0.469 516 E N -0.091 120.009 120.200 -0.168 0.000 2.371 516 E HA -0.023 4.328 4.350 0.001 0.000 0.194 516 E C 1.961 178.404 176.600 -0.261 0.000 1.012 516 E CA 0.760 57.051 56.400 -0.182 0.000 0.860 516 E CB 0.244 29.848 29.700 -0.159 0.000 0.811 516 E HN 0.619 nan 8.360 nan 0.000 0.502 517 L N 0.534 121.529 121.223 -0.380 0.000 2.044 517 L HA -0.097 4.244 4.340 0.001 0.000 0.205 517 L C 2.255 179.018 176.870 -0.179 0.000 1.075 517 L CA 0.885 55.489 54.840 -0.392 0.000 0.747 517 L CB -0.079 41.686 42.059 -0.489 0.000 0.903 517 L HN 0.054 nan 8.230 nan 0.000 0.435 518 I N -0.247 120.281 120.570 -0.069 0.000 2.361 518 I HA -0.288 3.882 4.170 0.001 0.000 0.251 518 I C 1.900 178.001 176.117 -0.026 0.000 1.133 518 I CA 0.981 62.275 61.300 -0.010 0.000 1.413 518 I CB -0.418 37.613 38.000 0.051 0.000 1.073 518 I HN 0.297 nan 8.210 nan 0.000 0.424 519 D N 1.054 121.418 120.400 -0.060 0.000 2.097 519 D HA -0.118 4.522 4.640 0.001 0.000 0.197 519 D C 2.302 178.592 176.300 -0.016 0.000 0.984 519 D CA 1.569 55.544 54.000 -0.042 0.000 0.826 519 D CB -0.111 40.648 40.800 -0.068 0.000 0.973 519 D HN 0.308 nan 8.370 nan 0.000 0.460 520 A N 0.496 123.261 122.820 -0.091 0.000 1.902 520 A HA -0.112 4.209 4.320 0.001 0.000 0.217 520 A C 2.376 179.874 177.584 -0.143 0.000 1.181 520 A CA 0.838 52.798 52.037 -0.129 0.000 0.623 520 A CB -0.795 18.089 19.000 -0.194 0.000 0.818 520 A HN 0.237 nan 8.150 nan 0.000 0.443 521 L N -2.076 119.072 121.223 -0.124 0.000 2.127 521 L HA -0.214 4.127 4.340 0.001 0.000 0.211 521 L C 2.557 179.395 176.870 -0.054 0.000 1.089 521 L CA 1.827 56.597 54.840 -0.117 0.000 0.757 521 L CB -0.473 41.547 42.059 -0.064 0.000 0.899 521 L HN 0.668 nan 8.230 nan 0.000 0.434 522 Y N 0.544 120.780 120.300 -0.106 0.000 2.153 522 Y HA -0.172 4.379 4.550 0.001 0.000 0.289 522 Y C 2.793 178.651 175.900 -0.070 0.000 1.127 522 Y CA 1.338 59.394 58.100 -0.073 0.000 1.131 522 Y CB -0.063 38.363 38.460 -0.056 0.000 0.995 522 Y HN -0.088 nan 8.280 nan 0.000 0.505 523 R N -0.519 120.016 120.500 0.059 0.000 2.096 523 R HA -0.164 4.177 4.340 0.001 0.000 0.235 523 R C 1.981 178.213 176.300 -0.112 0.000 1.127 523 R CA 1.421 57.508 56.100 -0.022 0.000 0.968 523 R CB -0.449 29.867 30.300 0.026 0.000 0.861 523 R HN 0.306 nan 8.270 nan 0.000 0.440 524 L N 0.214 121.340 121.223 -0.162 0.000 2.093 524 L HA -0.123 4.218 4.340 0.001 0.000 0.208 524 L C 2.386 179.196 176.870 -0.100 0.000 1.085 524 L CA 2.065 56.772 54.840 -0.221 0.000 0.755 524 L CB -0.852 40.883 42.059 -0.540 0.000 0.904 524 L HN 0.312 nan 8.230 nan 0.000 0.435 525 T N -5.483 108.985 114.554 -0.144 0.000 3.081 525 T HA 0.020 4.370 4.350 0.001 0.000 0.250 525 T C 1.885 176.502 174.700 -0.137 0.000 1.100 525 T CA -0.004 62.048 62.100 -0.080 0.000 1.038 525 T CB 0.075 68.890 68.868 -0.088 0.000 0.962 525 T HN -0.056 nan 8.240 nan 0.000 0.516 526 R N 2.116 122.477 120.500 -0.232 0.000 2.246 526 R HA 0.206 4.547 4.340 0.001 0.000 0.199 526 R C 0.378 176.616 176.300 -0.104 0.000 0.984 526 R CA 0.399 56.352 56.100 -0.245 0.000 1.015 526 R CB -0.026 30.021 30.300 -0.421 0.000 0.930 526 R HN 0.819 nan 8.270 nan 0.000 0.475 527 E N -0.562 119.611 120.200 -0.045 0.000 2.331 527 E HA 0.277 4.627 4.350 0.001 0.000 0.243 527 E C -1.080 175.572 176.600 0.086 0.000 0.925 527 E CA -0.587 55.822 56.400 0.016 0.000 0.760 527 E CB 0.623 30.338 29.700 0.025 0.000 1.254 527 E HN -0.226 nan 8.360 nan 0.000 0.419 528 N N 2.460 121.200 118.700 0.067 0.000 2.892 528 N HA 0.015 4.756 4.740 0.001 0.000 0.300 528 N C -0.650 174.890 175.510 0.051 0.000 1.211 528 N CA 0.190 53.297 53.050 0.094 0.000 1.158 528 N CB 0.389 38.897 38.487 0.035 0.000 1.455 528 N HN 0.596 nan 8.380 nan 0.000 0.524 529 T N -2.514 112.106 114.554 0.111 0.000 3.350 529 T HA 0.311 4.662 4.350 0.001 0.000 0.246 529 T C -2.031 172.561 174.700 -0.180 0.000 1.284 529 T CA -1.733 60.368 62.100 0.001 0.000 1.329 529 T CB 1.088 69.987 68.868 0.050 0.000 1.033 529 T HN -0.006 nan 8.240 nan 0.000 0.632 530 P HA 0.040 nan 4.420 nan 0.000 0.223 530 P C 1.889 178.694 177.300 -0.825 0.000 1.144 530 P CA 0.641 62.890 63.100 -1.418 0.000 0.783 530 P CB -0.241 30.739 31.700 -1.200 0.000 0.771 531 V N -1.078 118.595 119.914 -0.402 0.000 2.982 531 V HA -0.227 3.893 4.120 0.001 0.000 0.265 531 V C 2.124 178.132 176.094 -0.143 0.000 1.122 531 V CA 2.598 64.763 62.300 -0.224 0.000 1.143 531 V CB -1.423 30.319 31.823 -0.135 0.000 0.726 531 V HN 0.133 nan 8.190 nan 0.000 0.507 532 T N -1.010 113.469 114.554 -0.124 0.000 3.039 532 T HA 0.095 4.445 4.350 0.001 0.000 0.250 532 T C 0.405 175.226 174.700 0.203 0.000 1.052 532 T CA -0.093 62.049 62.100 0.070 0.000 1.125 532 T CB -0.134 68.841 68.868 0.178 0.000 0.908 532 T HN 0.729 nan 8.240 nan 0.000 0.473 533 W N 1.514 122.802 121.300 -0.021 0.000 2.190 533 W HA 0.618 5.279 4.660 0.001 0.000 0.330 533 W C 1.435 177.940 176.519 -0.023 0.000 1.299 533 W CA -1.900 55.431 57.345 -0.023 0.000 1.215 533 W CB -0.476 28.969 29.460 -0.025 0.000 1.147 533 W HN 0.127 nan 8.180 nan 0.000 0.563 534 A N 4.439 127.385 122.820 0.210 0.000 1.978 534 A HA -0.074 4.247 4.320 0.001 0.000 0.220 534 A C -0.963 176.665 177.584 0.073 0.000 1.170 534 A CA 0.753 52.850 52.037 0.100 0.000 0.636 534 A CB -2.197 16.835 19.000 0.055 0.000 0.810 534 A HN 0.438 nan 8.150 nan 0.000 0.448 535 P HA 0.204 nan 4.420 nan 0.000 0.268 535 P C -0.978 176.344 177.300 0.037 0.000 1.204 535 P CA 0.271 63.403 63.100 0.054 0.000 0.768 535 P CB 0.621 32.376 31.700 0.090 0.000 0.842 536 K N 2.345 122.750 120.400 0.008 0.000 2.213 536 K HA 0.419 4.740 4.320 0.001 0.000 0.270 536 K C -0.438 176.172 176.600 0.017 0.000 1.002 536 K CA -0.906 55.387 56.287 0.011 0.000 0.868 536 K CB 1.140 33.647 32.500 0.010 0.000 1.093 536 K HN 0.292 nan 8.250 nan 0.000 0.454 537 L N 3.815 125.048 121.223 0.016 0.000 2.313 537 L HA 0.236 4.576 4.340 0.001 0.000 0.273 537 L C -0.092 176.787 176.870 0.015 0.000 1.028 537 L CA 0.096 54.943 54.840 0.012 0.000 0.871 537 L CB 0.582 42.634 42.059 -0.012 0.000 1.242 537 L HN 0.780 nan 8.230 nan 0.000 0.434 538 T N 0.430 115.016 114.554 0.054 0.000 2.888 538 T HA 0.463 4.814 4.350 0.001 0.000 0.283 538 T C 0.202 174.925 174.700 0.038 0.000 1.013 538 T CA -0.542 61.605 62.100 0.079 0.000 0.938 538 T CB 0.647 69.603 68.868 0.146 0.000 1.298 538 T HN 0.471 nan 8.240 nan 0.000 0.580 539 H N 0.196 119.342 119.070 0.126 0.000 2.481 539 H HA 0.572 5.129 4.556 0.001 0.000 0.339 539 H C 0.896 176.306 175.328 0.136 0.000 1.131 539 H CA 0.074 56.200 56.048 0.129 0.000 1.301 539 H CB 1.283 31.103 29.762 0.097 0.000 1.476 539 H HN 1.075 nan 8.280 nan 0.000 0.529 540 T N 0.000 114.714 114.554 0.266 0.000 3.816 540 T HA 0.000 4.351 4.350 0.001 0.000 0.228 540 T CA 0.000 62.206 62.100 0.177 0.000 1.349 540 T CB 0.000 68.967 68.868 0.165 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658