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 1o6g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCVEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGCDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGYGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH NDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.218 176.300 -0.136 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.640 32.600 0.067 0.000 1.302 2 L N 4.163 125.212 121.223 -0.291 0.000 2.536 2 L HA 0.400 4.740 4.340 0.001 0.000 0.282 2 L C 0.154 176.593 176.870 -0.717 0.000 1.147 2 L CA 0.296 54.669 54.840 -0.779 0.000 0.936 2 L CB 0.577 42.312 42.059 -0.540 0.000 1.279 2 L HN 0.604 nan 8.230 nan 0.000 0.461 3 S N 3.256 118.489 115.700 -0.778 0.000 2.581 3 S HA 0.319 4.789 4.470 0.001 0.000 0.245 3 S C -0.487 173.956 174.600 -0.261 0.000 1.115 3 S CA -0.724 57.263 58.200 -0.357 0.000 1.093 3 S CB -0.356 62.770 63.200 -0.124 0.000 0.853 3 S HN 0.451 nan 8.310 nan 0.000 0.479 4 F N -0.453 119.420 119.950 -0.128 0.000 2.557 4 F HA 0.640 5.167 4.527 0.001 0.000 0.316 4 F C -0.612 174.958 175.800 -0.383 0.000 1.141 4 F CA -1.391 56.471 58.000 -0.229 0.000 0.922 4 F CB 1.150 39.989 39.000 -0.269 0.000 1.194 4 F HN 0.096 nan 8.300 nan 0.000 0.443 5 Q N 3.391 123.152 119.800 -0.065 0.000 2.290 5 Q HA 0.322 4.663 4.340 0.001 0.000 0.259 5 Q C -1.415 174.530 176.000 -0.091 0.000 0.941 5 Q CA -0.692 55.052 55.803 -0.099 0.000 0.912 5 Q CB 1.068 29.793 28.738 -0.022 0.000 1.244 5 Q HN 0.794 nan 8.270 nan 0.000 0.441 6 Y N 4.428 124.781 120.300 0.088 0.000 2.480 6 Y HA 0.128 4.679 4.550 0.001 0.000 0.338 6 Y C -1.517 174.394 175.900 0.018 0.000 1.220 6 Y CA -1.482 56.629 58.100 0.017 0.000 1.430 6 Y CB -0.241 38.215 38.460 -0.006 0.000 1.311 6 Y HN 0.536 nan 8.280 nan 0.000 0.575 7 P HA -0.030 nan 4.420 nan 0.000 0.270 7 P C -0.818 176.568 177.300 0.143 0.000 1.223 7 P CA -0.239 62.917 63.100 0.093 0.000 0.785 7 P CB 0.798 32.495 31.700 -0.005 0.000 0.923 8 D N 0.550 121.040 120.400 0.150 0.000 2.383 8 D HA 0.213 4.854 4.640 0.001 0.000 0.252 8 D C -0.250 176.210 176.300 0.266 0.000 1.166 8 D CA 0.334 54.449 54.000 0.192 0.000 0.879 8 D CB 0.482 41.378 40.800 0.161 0.000 1.164 8 D HN 0.000 nan 8.370 nan 0.000 0.462 9 V N 3.714 123.825 119.914 0.328 0.000 2.488 9 V HA 0.059 4.180 4.120 0.001 0.000 0.293 9 V C -0.489 175.924 176.094 0.533 0.000 1.027 9 V CA -1.096 61.499 62.300 0.493 0.000 0.862 9 V CB 1.160 33.245 31.823 0.438 0.000 1.008 9 V HN 0.408 nan 8.190 nan 0.000 0.428 10 Y N 5.423 125.973 120.300 0.417 0.000 2.717 10 Y HA 0.240 4.791 4.550 0.001 0.000 0.330 10 Y C 0.759 176.898 175.900 0.398 0.000 1.217 10 Y CA 0.208 58.454 58.100 0.244 0.000 1.506 10 Y CB 0.433 38.841 38.460 -0.086 0.000 1.268 10 Y HN 0.554 nan 8.280 nan 0.000 0.561 11 R N 4.750 124.892 120.500 -0.596 0.000 2.265 11 R HA 0.121 4.462 4.340 0.001 0.000 0.328 11 R C -1.127 174.653 176.300 -0.866 0.000 0.969 11 R CA -0.801 54.923 56.100 -0.627 0.000 0.832 11 R CB 0.603 30.542 30.300 -0.603 0.000 1.139 11 R HN 0.604 nan 8.270 nan 0.000 0.457 12 D N 3.106 123.259 120.400 -0.412 0.000 2.453 12 D HA 0.005 4.646 4.640 0.001 0.000 0.223 12 D C 0.518 176.719 176.300 -0.164 0.000 1.183 12 D CA -0.036 53.863 54.000 -0.168 0.000 0.933 12 D CB 0.793 41.693 40.800 0.165 0.000 1.038 12 D HN 0.387 nan 8.370 nan 0.000 0.513 13 E N 1.443 121.527 120.200 -0.193 0.000 2.472 13 E HA -0.101 4.250 4.350 0.001 0.000 0.200 13 E C 1.598 178.161 176.600 -0.063 0.000 1.046 13 E CA 0.656 56.975 56.400 -0.134 0.000 0.871 13 E CB -0.112 29.515 29.700 -0.121 0.000 0.806 13 E HN 0.619 nan 8.360 nan 0.000 0.533 14 T N -2.062 112.474 114.554 -0.030 0.000 3.100 14 T HA 0.229 4.579 4.350 0.001 0.000 0.253 14 T C 1.225 175.925 174.700 -0.000 0.000 1.118 14 T CA 0.306 62.402 62.100 -0.007 0.000 1.058 14 T CB 0.085 68.961 68.868 0.013 0.000 0.953 14 T HN 0.048 nan 8.240 nan 0.000 0.515 15 A N 1.921 124.742 122.820 0.001 0.000 3.026 15 A HA 0.558 4.878 4.320 0.001 0.000 0.272 15 A C 0.100 177.692 177.584 0.014 0.000 1.782 15 A CA -0.446 51.601 52.037 0.017 0.000 1.451 15 A CB -1.214 17.805 19.000 0.031 0.000 1.081 15 A HN 0.690 nan 8.150 nan 0.000 0.611 16 I N 0.805 121.380 120.570 0.007 0.000 2.378 16 I HA 0.338 4.508 4.170 0.001 0.000 0.291 16 I C 0.087 176.201 176.117 -0.005 0.000 0.992 16 I CA -0.309 60.997 61.300 0.011 0.000 1.154 16 I CB 1.799 39.795 38.000 -0.006 0.000 1.315 16 I HN 0.604 nan 8.210 nan 0.000 0.448 17 Q N 4.631 124.440 119.800 0.016 0.000 2.365 17 Q HA 0.326 4.667 4.340 0.001 0.000 0.269 17 Q C -1.499 174.445 176.000 -0.092 0.000 1.061 17 Q CA -0.799 54.953 55.803 -0.086 0.000 0.816 17 Q CB 2.585 31.234 28.738 -0.149 0.000 1.325 17 Q HN 0.648 nan 8.270 nan 0.000 0.446 18 D N 1.997 122.270 120.400 -0.211 0.000 2.280 18 D HA 0.198 4.838 4.640 0.001 0.000 0.243 18 D C -1.625 174.435 176.300 -0.400 0.000 1.129 18 D CA -0.100 53.785 54.000 -0.191 0.000 0.848 18 D CB 0.506 41.204 40.800 -0.169 0.000 1.107 18 D HN 0.382 nan 8.370 nan 0.000 0.471 19 Y N 4.121 124.194 120.300 -0.378 0.000 2.721 19 Y HA 0.232 4.782 4.550 0.001 0.000 0.328 19 Y C 0.043 175.480 175.900 -0.772 0.000 1.003 19 Y CA -0.654 56.983 58.100 -0.772 0.000 1.275 19 Y CB 0.330 38.156 38.460 -1.057 0.000 1.097 19 Y HN 0.568 nan 8.280 nan 0.000 0.514 20 H N 1.649 120.562 119.070 -0.262 0.000 2.741 20 H HA -0.222 4.335 4.556 0.001 0.000 0.305 20 H C 1.434 176.699 175.328 -0.104 0.000 1.169 20 H CA 1.059 56.996 56.048 -0.185 0.000 1.144 20 H CB -1.454 28.184 29.762 -0.206 0.000 1.397 20 H HN 1.056 nan 8.280 nan 0.000 0.409 21 G N -0.625 108.150 108.800 -0.042 0.000 2.213 21 G HA2 -0.300 3.660 3.960 0.001 0.000 0.226 21 G HA3 -0.300 3.660 3.960 0.001 0.000 0.226 21 G C -0.025 174.906 174.900 0.051 0.000 0.992 21 G CA 0.445 45.550 45.100 0.008 0.000 0.632 21 G HN 0.845 nan 8.290 nan 0.000 0.511 22 H N 1.820 120.862 119.070 -0.045 0.000 2.594 22 H HA 0.610 5.167 4.556 0.001 0.000 0.304 22 H C 0.121 175.475 175.328 0.045 0.000 1.068 22 H CA -0.596 55.471 56.048 0.031 0.000 1.308 22 H CB 0.568 30.402 29.762 0.119 0.000 1.409 22 H HN -0.061 nan 8.280 nan 0.000 0.460 23 K N 4.746 125.048 120.400 -0.163 0.000 2.339 23 K HA 0.220 4.540 4.320 0.001 0.000 0.286 23 K C -0.844 175.755 176.600 -0.003 0.000 1.050 23 K CA -0.438 55.812 56.287 -0.061 0.000 0.956 23 K CB 1.336 33.787 32.500 -0.083 0.000 0.990 23 K HN 0.306 nan 8.250 nan 0.000 0.475 24 V N 3.755 123.770 119.914 0.169 0.000 2.444 24 V HA 0.202 4.322 4.120 0.001 0.000 0.294 24 V C -0.222 175.975 176.094 0.170 0.000 1.022 24 V CA -0.973 61.460 62.300 0.221 0.000 0.850 24 V CB 1.618 33.623 31.823 0.304 0.000 0.992 24 V HN 0.792 nan 8.190 nan 0.000 0.426 25 C N 3.149 122.522 119.300 0.122 0.000 2.350 25 C HA 0.545 5.005 4.460 0.001 0.000 0.348 25 C C 0.412 175.447 174.990 0.076 0.000 1.260 25 C CA -0.454 58.602 59.018 0.064 0.000 1.966 25 C CB 0.569 28.314 27.740 0.008 0.000 2.380 25 C HN 0.906 nan 8.230 nan 0.000 0.535 26 D N 2.749 123.174 120.400 0.041 0.000 2.502 26 D HA 0.276 4.916 4.640 0.001 0.000 0.301 26 D C -1.101 175.137 176.300 -0.104 0.000 1.202 26 D CA -1.467 52.545 54.000 0.020 0.000 0.878 26 D CB 0.760 41.621 40.800 0.102 0.000 1.062 26 D HN 0.312 nan 8.370 nan 0.000 0.499 27 P HA -0.148 nan 4.420 nan 0.000 0.221 27 P C 0.228 177.214 177.300 -0.524 0.000 1.145 27 P CA 0.815 63.630 63.100 -0.474 0.000 0.795 27 P CB 0.071 31.313 31.700 -0.765 0.000 0.775 28 Y N -1.023 119.159 120.300 -0.196 0.000 2.658 28 Y HA 0.507 5.057 4.550 0.001 0.000 0.276 28 Y C 2.266 177.791 175.900 -0.625 0.000 1.167 28 Y CA -0.560 57.194 58.100 -0.578 0.000 1.230 28 Y CB -0.946 37.163 38.460 -0.585 0.000 1.144 28 Y HN -0.066 nan 8.280 nan 0.000 0.529 29 A N 1.191 123.908 122.820 -0.172 0.000 1.986 29 A HA -0.191 4.129 4.320 0.001 0.000 0.220 29 A C 1.895 179.449 177.584 -0.049 0.000 1.171 29 A CA 1.693 53.692 52.037 -0.063 0.000 0.640 29 A CB -1.039 17.994 19.000 0.055 0.000 0.811 29 A HN 0.819 nan 8.150 nan 0.000 0.451 30 W N -0.544 120.768 121.300 0.020 0.000 2.468 30 W HA -0.016 4.644 4.660 0.001 0.000 0.262 30 W C 0.913 177.413 176.519 -0.032 0.000 1.241 30 W CA 0.525 57.877 57.345 0.012 0.000 1.232 30 W CB -1.024 28.463 29.460 0.045 0.000 1.124 30 W HN 0.235 nan 8.180 nan 0.000 0.597 31 L N 1.236 122.138 121.223 -0.536 0.000 2.622 31 L HA -0.081 4.259 4.340 0.001 0.000 0.233 31 L C 2.128 178.837 176.870 -0.267 0.000 1.156 31 L CA 1.010 55.533 54.840 -0.529 0.000 0.866 31 L CB -0.510 41.010 42.059 -0.898 0.000 0.980 31 L HN -0.007 nan 8.230 nan 0.000 0.448 32 E N -0.574 119.519 120.200 -0.179 0.000 2.338 32 E HA -0.144 4.206 4.350 0.001 0.000 0.197 32 E C 0.449 177.004 176.600 -0.075 0.000 1.007 32 E CA 0.363 56.657 56.400 -0.176 0.000 0.849 32 E CB 0.101 29.742 29.700 -0.098 0.000 0.774 32 E HN 0.226 nan 8.360 nan 0.000 0.506 33 D N 0.394 120.801 120.400 0.013 0.000 2.396 33 D HA 0.038 4.678 4.640 0.001 0.000 0.225 33 D C -1.666 174.677 176.300 0.073 0.000 1.121 33 D CA -2.547 51.491 54.000 0.062 0.000 0.853 33 D CB 1.209 42.072 40.800 0.104 0.000 1.043 33 D HN -0.104 nan 8.370 nan 0.000 0.500 34 P HA -0.016 nan 4.420 nan 0.000 0.229 34 P C 0.172 177.573 177.300 0.167 0.000 1.160 34 P CA 0.531 63.706 63.100 0.124 0.000 0.777 34 P CB 0.707 32.527 31.700 0.200 0.000 0.814 35 D N -0.186 120.294 120.400 0.132 0.000 2.354 35 D HA -0.002 4.638 4.640 0.001 0.000 0.209 35 D C 1.068 177.428 176.300 0.100 0.000 1.015 35 D CA 0.410 54.479 54.000 0.116 0.000 0.867 35 D CB 0.081 40.926 40.800 0.075 0.000 0.933 35 D HN 0.254 nan 8.370 nan 0.000 0.520 36 S N 0.864 116.629 115.700 0.107 0.000 2.579 36 S HA 0.048 4.519 4.470 0.001 0.000 0.275 36 S C 1.271 175.932 174.600 0.102 0.000 1.345 36 S CA -0.412 57.846 58.200 0.097 0.000 1.031 36 S CB 1.917 65.188 63.200 0.117 0.000 0.892 36 S HN -0.141 nan 8.310 nan 0.000 0.529 37 E N 1.831 122.072 120.200 0.069 0.000 2.110 37 E HA -0.158 4.192 4.350 0.001 0.000 0.193 37 E C 2.054 178.707 176.600 0.088 0.000 0.988 37 E CA 1.421 57.860 56.400 0.064 0.000 0.804 37 E CB -0.493 29.224 29.700 0.027 0.000 0.745 37 E HN 0.800 nan 8.360 nan 0.000 0.458 38 Q N -0.096 119.751 119.800 0.079 0.000 2.050 38 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 38 Q C 2.260 178.476 176.000 0.360 0.000 0.980 38 Q CA 2.009 57.873 55.803 0.103 0.000 0.840 38 Q CB -0.587 28.077 28.738 -0.123 0.000 0.898 38 Q HN 0.180 nan 8.270 nan 0.000 0.424 39 T N 0.756 115.533 114.554 0.370 0.000 2.777 39 T HA -0.090 4.260 4.350 0.001 0.000 0.266 39 T C 1.509 176.374 174.700 0.274 0.000 1.040 39 T CA 1.149 63.449 62.100 0.333 0.000 1.141 39 T CB -0.101 68.882 68.868 0.192 0.000 0.868 39 T HN 0.207 nan 8.240 nan 0.000 0.444 40 K N 1.204 121.723 120.400 0.198 0.000 2.097 40 K HA 0.015 4.336 4.320 0.001 0.000 0.206 40 K C 2.637 179.333 176.600 0.159 0.000 1.049 40 K CA 1.210 57.589 56.287 0.153 0.000 0.933 40 K CB -0.254 32.316 32.500 0.117 0.000 0.717 40 K HN 0.283 nan 8.250 nan 0.000 0.442 41 A N 1.007 123.934 122.820 0.178 0.000 1.930 41 A HA -0.155 4.166 4.320 0.001 0.000 0.217 41 A C 1.961 179.663 177.584 0.196 0.000 1.175 41 A CA 0.972 53.102 52.037 0.156 0.000 0.627 41 A CB -0.612 18.469 19.000 0.136 0.000 0.815 41 A HN 0.353 nan 8.150 nan 0.000 0.443 42 F N 0.722 120.754 119.950 0.136 0.000 2.075 42 F HA -0.176 4.351 4.527 0.001 0.000 0.297 42 F C 2.224 178.055 175.800 0.052 0.000 1.113 42 F CA 2.127 60.200 58.000 0.122 0.000 1.218 42 F CB -0.333 38.761 39.000 0.158 0.000 0.984 42 F HN 0.029 nan 8.300 nan 0.000 0.472 43 V N 0.360 120.406 119.914 0.220 0.000 2.287 43 V HA -0.317 3.803 4.120 0.001 0.000 0.248 43 V C 2.344 178.424 176.094 -0.024 0.000 1.053 43 V CA 2.295 64.634 62.300 0.065 0.000 1.027 43 V CB -0.743 31.141 31.823 0.102 0.000 0.646 43 V HN 0.334 nan 8.190 nan 0.000 0.447 44 E N 0.418 120.629 120.200 0.019 0.000 2.058 44 E HA -0.199 4.152 4.350 0.001 0.000 0.194 44 E C 2.167 178.752 176.600 -0.025 0.000 0.997 44 E CA 1.695 58.102 56.400 0.011 0.000 0.801 44 E CB -0.514 29.207 29.700 0.036 0.000 0.746 44 E HN 0.541 nan 8.360 nan 0.000 0.450 45 A N 0.255 123.043 122.820 -0.054 0.000 1.930 45 A HA -0.194 4.127 4.320 0.001 0.000 0.217 45 A C 2.079 179.583 177.584 -0.134 0.000 1.175 45 A CA 1.408 53.399 52.037 -0.076 0.000 0.627 45 A CB -0.438 18.521 19.000 -0.069 0.000 0.815 45 A HN 0.204 nan 8.150 nan 0.000 0.443 46 Q N 0.098 119.750 119.800 -0.247 0.000 2.046 46 Q HA -0.118 4.222 4.340 0.001 0.000 0.200 46 Q C 1.673 177.600 176.000 -0.121 0.000 0.975 46 Q CA 1.374 57.024 55.803 -0.255 0.000 0.836 46 Q CB -0.546 27.953 28.738 -0.398 0.000 0.896 46 Q HN 0.634 nan 8.270 nan 0.000 0.428 47 N N 1.022 119.682 118.700 -0.066 0.000 2.244 47 N HA -0.125 4.615 4.740 0.001 0.000 0.183 47 N C 1.555 177.060 175.510 -0.010 0.000 1.016 47 N CA 0.755 53.805 53.050 -0.000 0.000 0.866 47 N CB -0.153 38.367 38.487 0.055 0.000 0.980 47 N HN 0.263 nan 8.380 nan 0.000 0.430 48 K N 1.110 121.502 120.400 -0.014 0.000 2.152 48 K HA -0.102 4.219 4.320 0.001 0.000 0.206 48 K C 1.913 178.520 176.600 0.012 0.000 1.048 48 K CA 1.018 57.306 56.287 0.002 0.000 0.933 48 K CB 0.017 32.518 32.500 0.002 0.000 0.721 48 K HN 0.343 nan 8.250 nan 0.000 0.447 49 I N -3.404 117.162 120.570 -0.006 0.000 2.628 49 I HA -0.025 4.146 4.170 0.001 0.000 0.255 49 I C 1.681 177.809 176.117 0.019 0.000 1.119 49 I CA 0.575 61.883 61.300 0.014 0.000 1.448 49 I CB -0.545 37.440 38.000 -0.026 0.000 1.133 49 I HN -0.142 nan 8.210 nan 0.000 0.438 50 T N 1.896 116.425 114.554 -0.042 0.000 2.737 50 T HA -0.063 4.287 4.350 0.001 0.000 0.265 50 T C 2.146 176.836 174.700 -0.016 0.000 1.038 50 T CA 1.725 63.796 62.100 -0.047 0.000 1.144 50 T CB -0.346 68.457 68.868 -0.109 0.000 0.866 50 T HN 0.193 nan 8.240 nan 0.000 0.434 51 V N 2.324 122.193 119.914 -0.074 0.000 2.255 51 V HA -0.126 3.995 4.120 0.001 0.000 0.247 51 V C -0.469 175.624 176.094 -0.002 0.000 1.051 51 V CA 1.833 64.073 62.300 -0.100 0.000 1.018 51 V CB -1.550 30.226 31.823 -0.079 0.000 0.641 51 V HN 0.366 nan 8.190 nan 0.000 0.445 52 P HA -0.144 nan 4.420 nan 0.000 0.218 52 P C 1.669 179.028 177.300 0.097 0.000 1.149 52 P CA 1.262 64.398 63.100 0.061 0.000 0.817 52 P CB -0.101 31.643 31.700 0.073 0.000 0.785 53 F N 0.163 120.132 119.950 0.031 0.000 2.102 53 F HA -0.156 4.372 4.527 0.001 0.000 0.298 53 F C 1.923 177.766 175.800 0.071 0.000 1.105 53 F CA 1.513 59.562 58.000 0.080 0.000 1.239 53 F CB -0.720 38.347 39.000 0.113 0.000 0.991 53 F HN -0.259 nan 8.300 nan 0.000 0.474 54 L N -0.216 121.133 121.223 0.209 0.000 2.093 54 L HA -0.163 4.177 4.340 0.001 0.000 0.208 54 L C 1.905 178.776 176.870 0.001 0.000 1.085 54 L CA 1.478 56.387 54.840 0.114 0.000 0.755 54 L CB -0.627 41.465 42.059 0.056 0.000 0.904 54 L HN 0.152 nan 8.230 nan 0.000 0.435 55 E N -0.731 119.460 120.200 -0.015 0.000 2.489 55 E HA -0.123 4.228 4.350 0.001 0.000 0.193 55 E C 1.762 178.335 176.600 -0.046 0.000 1.057 55 E CA -0.119 56.266 56.400 -0.026 0.000 0.866 55 E CB 0.258 29.948 29.700 -0.016 0.000 0.916 55 E HN 0.451 nan 8.360 nan 0.000 0.500 56 Q N 0.328 120.079 119.800 -0.083 0.000 1.965 56 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 56 Q C 0.426 176.370 176.000 -0.093 0.000 0.981 56 Q CA 0.892 56.638 55.803 -0.096 0.000 0.834 56 Q CB 0.148 28.799 28.738 -0.145 0.000 0.900 56 Q HN 0.249 nan 8.270 nan 0.000 0.426 57 C N 3.183 122.412 119.300 -0.119 0.000 2.629 57 C HA 0.100 4.561 4.460 0.001 0.000 0.410 57 C C -0.905 174.047 174.990 -0.064 0.000 1.339 57 C CA -1.196 57.770 59.018 -0.086 0.000 1.810 57 C CB 0.479 28.168 27.740 -0.086 0.000 2.549 57 C HN 0.536 nan 8.230 nan 0.000 0.589 58 P HA -0.164 nan 4.420 nan 0.000 0.222 58 P C 1.394 178.625 177.300 -0.115 0.000 1.142 58 P CA 1.269 64.322 63.100 -0.078 0.000 0.788 58 P CB 0.048 31.705 31.700 -0.072 0.000 0.767 59 I N -0.129 120.388 120.570 -0.088 0.000 2.423 59 I HA -0.237 3.934 4.170 0.001 0.000 0.254 59 I C 2.783 178.832 176.117 -0.114 0.000 1.151 59 I CA 1.115 62.344 61.300 -0.118 0.000 1.421 59 I CB -0.150 37.882 38.000 0.052 0.000 1.079 59 I HN -0.168 nan 8.210 nan 0.000 0.431 60 R N 0.454 120.931 120.500 -0.039 0.000 2.081 60 R HA -0.159 4.181 4.340 0.001 0.000 0.235 60 R C 2.227 178.515 176.300 -0.019 0.000 1.131 60 R CA 1.656 57.762 56.100 0.010 0.000 0.960 60 R CB -0.637 29.669 30.300 0.010 0.000 0.856 60 R HN 0.490 nan 8.270 nan 0.000 0.436 61 G N 0.954 109.704 108.800 -0.083 0.000 2.422 61 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 61 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 61 G C 1.483 176.268 174.900 -0.192 0.000 1.146 61 G CA 0.559 45.599 45.100 -0.100 0.000 0.769 61 G HN 0.228 nan 8.290 nan 0.000 0.547 62 L N -1.144 119.853 121.223 -0.376 0.000 2.046 62 L HA -0.063 4.277 4.340 0.001 0.000 0.208 62 L C 2.579 179.026 176.870 -0.705 0.000 1.077 62 L CA 1.219 55.635 54.840 -0.707 0.000 0.747 62 L CB -0.523 40.723 42.059 -1.356 0.000 0.896 62 L HN 0.256 nan 8.230 nan 0.000 0.432 63 Y N 1.108 121.033 120.300 -0.624 0.000 2.145 63 Y HA -0.300 4.251 4.550 0.001 0.000 0.286 63 Y C 2.777 178.646 175.900 -0.052 0.000 1.145 63 Y CA 1.903 59.888 58.100 -0.192 0.000 1.148 63 Y CB -0.119 38.373 38.460 0.053 0.000 0.981 63 Y HN 0.006 nan 8.280 nan 0.000 0.507 64 K N 0.385 120.881 120.400 0.160 0.000 2.063 64 K HA -0.286 4.034 4.320 0.001 0.000 0.208 64 K C 2.215 178.822 176.600 0.011 0.000 1.048 64 K CA 1.960 58.321 56.287 0.123 0.000 0.928 64 K CB -0.327 32.229 32.500 0.094 0.000 0.713 64 K HN 0.527 nan 8.250 nan 0.000 0.442 65 E N 0.123 120.291 120.200 -0.053 0.000 2.051 65 E HA -0.258 4.093 4.350 0.001 0.000 0.192 65 E C 2.150 178.719 176.600 -0.052 0.000 0.991 65 E CA 1.149 57.516 56.400 -0.054 0.000 0.799 65 E CB -0.010 29.636 29.700 -0.091 0.000 0.748 65 E HN 0.104 nan 8.360 nan 0.000 0.449 66 R N 0.154 120.590 120.500 -0.106 0.000 2.075 66 R HA -0.110 4.230 4.340 0.001 0.000 0.232 66 R C 2.193 178.443 176.300 -0.082 0.000 1.126 66 R CA 1.655 57.699 56.100 -0.092 0.000 0.963 66 R CB -0.485 29.745 30.300 -0.116 0.000 0.858 66 R HN 0.265 nan 8.270 nan 0.000 0.435 67 M N -0.462 119.050 119.600 -0.146 0.000 2.086 67 M HA -0.084 4.396 4.480 0.001 0.000 0.261 67 M C 1.700 178.051 176.300 0.084 0.000 1.067 67 M CA 2.025 57.288 55.300 -0.062 0.000 1.116 67 M CB -0.610 31.976 32.600 -0.023 0.000 1.348 67 M HN 0.124 nan 8.290 nan 0.000 0.407 68 T N 0.364 114.964 114.554 0.076 0.000 2.833 68 T HA -0.120 4.230 4.350 0.001 0.000 0.269 68 T C 1.778 176.542 174.700 0.107 0.000 1.054 68 T CA 1.427 63.591 62.100 0.106 0.000 1.135 68 T CB -0.221 68.689 68.868 0.069 0.000 0.869 68 T HN 0.381 nan 8.240 nan 0.000 0.466 69 E N 0.898 121.148 120.200 0.083 0.000 2.033 69 E HA 0.088 4.439 4.350 0.001 0.000 0.189 69 E C 2.310 178.994 176.600 0.140 0.000 0.979 69 E CA 0.688 57.142 56.400 0.090 0.000 0.802 69 E CB -0.283 29.456 29.700 0.065 0.000 0.763 69 E HN 0.440 nan 8.360 nan 0.000 0.449 70 L N -0.196 121.121 121.223 0.156 0.000 2.156 70 L HA -0.137 4.203 4.340 0.001 0.000 0.208 70 L C 2.373 179.483 176.870 0.401 0.000 1.095 70 L CA 0.732 55.705 54.840 0.221 0.000 0.770 70 L CB -0.358 41.796 42.059 0.159 0.000 0.914 70 L HN 0.126 nan 8.230 nan 0.000 0.439 71 Y N 0.565 120.985 120.300 0.199 0.000 2.561 71 Y HA -0.067 4.484 4.550 0.001 0.000 0.291 71 Y C 1.013 176.969 175.900 0.094 0.000 1.141 71 Y CA -0.016 58.214 58.100 0.216 0.000 1.303 71 Y CB -0.258 38.257 38.460 0.091 0.000 1.015 71 Y HN 0.081 nan 8.280 nan 0.000 0.547 72 D N 1.216 121.703 120.400 0.146 0.000 2.551 72 D HA 0.070 4.711 4.640 0.001 0.000 0.223 72 D C -1.210 175.148 176.300 0.096 0.000 1.144 72 D CA 0.159 54.162 54.000 0.004 0.000 1.025 72 D CB -1.185 39.643 40.800 0.047 0.000 1.085 72 D HN 0.326 nan 8.370 nan 0.000 0.506 73 Y N -0.183 120.088 120.300 -0.048 0.000 2.562 73 Y HA 0.652 5.203 4.550 0.001 0.000 0.345 73 Y C -2.900 172.989 175.900 -0.019 0.000 1.045 73 Y CA -2.966 55.136 58.100 0.003 0.000 1.028 73 Y CB 0.689 39.180 38.460 0.052 0.000 1.297 73 Y HN -0.072 nan 8.280 nan 0.000 0.463 74 P HA 0.134 nan 4.420 nan 0.000 0.267 74 P C -1.410 175.976 177.300 0.143 0.000 1.209 74 P CA -0.067 63.117 63.100 0.139 0.000 0.763 74 P CB 0.977 32.878 31.700 0.335 0.000 0.816 75 K N 3.709 124.070 120.400 -0.065 0.000 2.389 75 K HA 0.400 4.720 4.320 0.001 0.000 0.261 75 K C -0.665 175.997 176.600 0.103 0.000 1.014 75 K CA -0.387 55.916 56.287 0.027 0.000 0.920 75 K CB 0.870 33.282 32.500 -0.147 0.000 1.149 75 K HN 0.371 nan 8.250 nan 0.000 0.444 76 Y N 0.333 120.800 120.300 0.278 0.000 2.487 76 Y HA 0.350 4.901 4.550 0.001 0.000 0.337 76 Y C 0.841 176.905 175.900 0.274 0.000 1.076 76 Y CA -0.611 57.662 58.100 0.288 0.000 1.115 76 Y CB 1.937 40.469 38.460 0.120 0.000 1.235 76 Y HN 0.570 nan 8.280 nan 0.000 0.468 77 S N 0.178 116.193 115.700 0.524 0.000 2.718 77 S HA 0.533 5.004 4.470 0.001 0.000 0.300 77 S C -0.437 174.405 174.600 0.403 0.000 1.117 77 S CA -0.915 57.551 58.200 0.444 0.000 1.002 77 S CB 0.881 64.412 63.200 0.551 0.000 1.092 77 S HN 0.698 nan 8.310 nan 0.000 0.542 78 C N 1.894 121.394 119.300 0.333 0.000 2.689 78 C HA 0.326 4.787 4.460 0.001 0.000 0.409 78 C C 0.841 175.929 174.990 0.164 0.000 1.293 78 C CA 0.028 59.170 59.018 0.208 0.000 2.136 78 C CB -1.335 26.536 27.740 0.219 0.000 2.719 78 C HN 0.875 nan 8.230 nan 0.000 0.644 79 H N 0.967 119.728 119.070 -0.515 0.000 2.690 79 H HA 0.510 5.066 4.556 0.001 0.000 0.365 79 H C -0.197 174.959 175.328 -0.286 0.000 1.142 79 H CA 0.580 56.298 56.048 -0.550 0.000 1.417 79 H CB 0.353 29.362 29.762 -1.255 0.000 1.446 79 H HN 0.556 nan 8.280 nan 0.000 0.599 80 F N -0.928 119.015 119.950 -0.011 0.000 2.608 80 F HA 0.478 5.005 4.527 0.001 0.000 0.309 80 F C -0.965 174.846 175.800 0.017 0.000 1.103 80 F CA -1.277 56.747 58.000 0.041 0.000 0.954 80 F CB 1.252 40.284 39.000 0.052 0.000 1.267 80 F HN 0.256 nan 8.300 nan 0.000 0.444 81 K N 2.712 123.138 120.400 0.044 0.000 2.159 81 K HA 0.515 4.836 4.320 0.001 0.000 0.266 81 K C -1.191 175.321 176.600 -0.146 0.000 0.975 81 K CA -0.795 55.319 56.287 -0.289 0.000 0.865 81 K CB 0.943 33.143 32.500 -0.500 0.000 1.087 81 K HN 0.621 nan 8.250 nan 0.000 0.446 82 K N 2.636 122.901 120.400 -0.225 0.000 2.579 82 K HA 0.298 4.619 4.320 0.001 0.000 0.250 82 K C 0.078 176.574 176.600 -0.173 0.000 0.952 82 K CA -0.153 55.968 56.287 -0.277 0.000 0.857 82 K CB 1.392 33.390 32.500 -0.837 0.000 1.123 82 K HN 0.956 nan 8.250 nan 0.000 0.433 83 G N 3.402 112.127 108.800 -0.125 0.000 2.556 83 G HA2 -0.370 3.590 3.960 0.001 0.000 0.283 83 G HA3 -0.370 3.590 3.960 0.001 0.000 0.283 83 G C 0.529 175.356 174.900 -0.122 0.000 1.177 83 G CA 0.321 45.368 45.100 -0.088 0.000 0.978 83 G HN 0.555 nan 8.290 nan 0.000 0.554 84 K N 1.055 121.391 120.400 -0.107 0.000 2.417 84 K HA 0.223 4.544 4.320 0.001 0.000 0.196 84 K C 0.954 177.449 176.600 -0.174 0.000 1.023 84 K CA 0.108 56.324 56.287 -0.118 0.000 1.122 84 K CB 0.038 32.498 32.500 -0.067 0.000 0.850 84 K HN 0.425 nan 8.250 nan 0.000 0.521 85 R N -0.759 119.594 120.500 -0.245 0.000 2.854 85 R HA 0.327 4.667 4.340 0.001 0.000 0.271 85 R C -1.197 174.784 176.300 -0.533 0.000 0.996 85 R CA -0.820 55.065 56.100 -0.360 0.000 0.961 85 R CB 1.118 31.132 30.300 -0.477 0.000 1.182 85 R HN -0.084 nan 8.270 nan 0.000 0.479 86 Y N 0.398 120.392 120.300 -0.510 0.000 2.420 86 Y HA 0.487 5.037 4.550 0.001 0.000 0.334 86 Y C -0.429 174.900 175.900 -0.953 0.000 1.094 86 Y CA -0.327 57.487 58.100 -0.477 0.000 1.126 86 Y CB 1.249 39.597 38.460 -0.185 0.000 1.217 86 Y HN 0.345 nan 8.280 nan 0.000 0.462 87 F N 1.551 121.049 119.950 -0.752 0.000 2.603 87 F HA 0.616 5.143 4.527 0.001 0.000 0.317 87 F C -1.043 174.182 175.800 -0.959 0.000 1.066 87 F CA -1.405 55.972 58.000 -1.039 0.000 0.941 87 F CB 1.939 40.033 39.000 -1.510 0.000 1.291 87 F HN 0.406 nan 8.300 nan 0.000 0.472 88 Y N -0.889 119.095 120.300 -0.527 0.000 2.604 88 Y HA 0.685 5.235 4.550 0.001 0.000 0.331 88 Y C -2.166 173.704 175.900 -0.049 0.000 1.158 88 Y CA -2.221 55.736 58.100 -0.239 0.000 1.056 88 Y CB 0.597 38.824 38.460 -0.389 0.000 1.330 88 Y HN 0.394 nan 8.280 nan 0.000 0.457 89 F N 2.863 123.045 119.950 0.386 0.000 2.379 89 F HA 0.615 5.142 4.527 0.001 0.000 0.332 89 F C -0.554 175.530 175.800 0.474 0.000 1.096 89 F CA -0.406 57.795 58.000 0.336 0.000 1.105 89 F CB 1.424 40.591 39.000 0.277 0.000 1.189 89 F HN 0.607 nan 8.300 nan 0.000 0.515 90 Y N 2.990 123.523 120.300 0.388 0.000 2.436 90 Y HA 0.338 4.889 4.550 0.001 0.000 0.327 90 Y C -1.819 174.115 175.900 0.057 0.000 1.138 90 Y CA -1.636 56.522 58.100 0.097 0.000 1.042 90 Y CB 1.239 39.673 38.460 -0.043 0.000 1.302 90 Y HN 0.598 nan 8.280 nan 0.000 0.439 91 N N 3.106 121.544 118.700 -0.438 0.000 2.407 91 N HA 0.189 4.930 4.740 0.001 0.000 0.277 91 N C 0.592 175.571 175.510 -0.886 0.000 0.995 91 N CA 0.358 53.093 53.050 -0.526 0.000 0.903 91 N CB 2.092 40.402 38.487 -0.295 0.000 1.218 91 N HN 0.868 nan 8.380 nan 0.000 0.487 92 T N 0.359 114.385 114.554 -0.879 0.000 2.929 92 T HA 0.098 4.449 4.350 0.001 0.000 0.271 92 T C 1.170 175.675 174.700 -0.325 0.000 1.085 92 T CA 1.466 63.183 62.100 -0.638 0.000 1.125 92 T CB 0.102 68.765 68.868 -0.342 0.000 0.874 92 T HN 0.653 nan 8.240 nan 0.000 0.494 93 G N 0.735 109.330 108.800 -0.341 0.000 4.366 93 G HA2 0.065 4.026 3.960 0.001 0.000 0.194 93 G HA3 0.065 4.026 3.960 0.001 0.000 0.194 93 G C 0.549 175.253 174.900 -0.328 0.000 1.275 93 G CA -0.061 44.847 45.100 -0.320 0.000 0.847 93 G HN 0.424 nan 8.290 nan 0.000 0.299 94 L N 1.735 122.836 121.223 -0.203 0.000 3.122 94 L HA 0.383 4.724 4.340 0.001 0.000 0.274 94 L C 0.625 177.438 176.870 -0.095 0.000 1.222 94 L CA -0.162 54.599 54.840 -0.132 0.000 1.028 94 L CB 0.849 42.874 42.059 -0.056 0.000 1.386 94 L HN 0.218 nan 8.230 nan 0.000 0.578 95 Q N 0.372 120.095 119.800 -0.128 0.000 2.392 95 Q HA 0.035 4.376 4.340 0.001 0.000 0.262 95 Q C 0.562 176.528 176.000 -0.058 0.000 1.003 95 Q CA -0.233 55.517 55.803 -0.089 0.000 0.888 95 Q CB 0.861 29.531 28.738 -0.113 0.000 1.260 95 Q HN 0.165 nan 8.270 nan 0.000 0.435 96 N N 0.759 119.444 118.700 -0.024 0.000 2.166 96 N HA -0.118 4.622 4.740 0.001 0.000 0.186 96 N C -0.157 175.355 175.510 0.004 0.000 1.019 96 N CA 1.306 54.358 53.050 0.002 0.000 0.856 96 N CB 0.323 38.818 38.487 0.013 0.000 0.993 96 N HN 0.486 nan 8.380 nan 0.000 0.426 97 Q N 0.287 120.084 119.800 -0.006 0.000 2.397 97 Q HA 0.258 4.599 4.340 0.001 0.000 0.275 97 Q C -0.351 175.650 176.000 0.002 0.000 1.090 97 Q CA -0.589 55.220 55.803 0.009 0.000 0.809 97 Q CB 2.739 31.492 28.738 0.026 0.000 1.362 97 Q HN 0.338 nan 8.270 nan 0.000 0.431 98 R N -0.536 119.981 120.500 0.030 0.000 2.641 98 R HA 0.541 4.881 4.340 0.001 0.000 0.269 98 R C -0.416 175.980 176.300 0.160 0.000 1.074 98 R CA -0.458 55.687 56.100 0.076 0.000 1.133 98 R CB 0.254 30.627 30.300 0.123 0.000 1.029 98 R HN 0.194 nan 8.270 nan 0.000 0.488 99 V N 2.820 122.836 119.914 0.169 0.000 2.547 99 V HA 0.240 4.361 4.120 0.001 0.000 0.299 99 V C -0.387 175.740 176.094 0.056 0.000 1.040 99 V CA -1.123 61.210 62.300 0.054 0.000 0.913 99 V CB 1.512 33.257 31.823 -0.130 0.000 0.992 99 V HN 0.598 nan 8.190 nan 0.000 0.449 100 L N 5.151 126.263 121.223 -0.185 0.000 2.265 100 L HA 0.538 4.879 4.340 0.001 0.000 0.288 100 L C -0.975 175.615 176.870 -0.467 0.000 1.058 100 L CA 0.226 54.795 54.840 -0.453 0.000 0.809 100 L CB 0.323 42.077 42.059 -0.509 0.000 1.179 100 L HN 0.524 nan 8.230 nan 0.000 0.429 101 Y N 3.555 123.508 120.300 -0.578 0.000 2.496 101 Y HA 0.722 5.273 4.550 0.001 0.000 0.331 101 Y C -0.123 175.366 175.900 -0.684 0.000 1.140 101 Y CA -0.560 57.168 58.100 -0.620 0.000 1.166 101 Y CB 2.016 39.872 38.460 -1.008 0.000 1.249 101 Y HN 0.414 nan 8.280 nan 0.000 0.479 102 V N 2.579 122.248 119.914 -0.409 0.000 2.925 102 V HA 0.606 4.726 4.120 0.001 0.000 0.311 102 V C -1.779 174.065 176.094 -0.418 0.000 1.104 102 V CA -0.480 61.380 62.300 -0.733 0.000 0.954 102 V CB 2.023 33.329 31.823 -0.861 0.000 1.022 102 V HN 0.892 nan 8.190 nan 0.000 0.427 103 Q N 3.048 122.588 119.800 -0.433 0.000 2.340 103 Q HA 0.508 4.848 4.340 0.001 0.000 0.276 103 Q C -1.162 174.731 176.000 -0.178 0.000 1.048 103 Q CA -0.873 54.816 55.803 -0.189 0.000 0.832 103 Q CB 2.212 30.924 28.738 -0.043 0.000 1.373 103 Q HN 0.580 nan 8.270 nan 0.000 0.409 104 D N 1.050 121.385 120.400 -0.110 0.000 2.363 104 D HA 0.002 4.642 4.640 0.001 0.000 0.220 104 D C 0.271 176.583 176.300 0.020 0.000 0.994 104 D CA 1.068 55.023 54.000 -0.074 0.000 0.890 104 D CB 0.576 41.337 40.800 -0.065 0.000 0.906 104 D HN 0.556 nan 8.370 nan 0.000 0.530 105 S N -0.830 114.905 115.700 0.058 0.000 2.565 105 S HA 0.189 4.660 4.470 0.001 0.000 0.269 105 S C 0.279 174.866 174.600 -0.023 0.000 1.153 105 S CA -0.761 57.494 58.200 0.092 0.000 0.835 105 S CB 1.179 64.395 63.200 0.026 0.000 1.122 105 S HN -0.136 nan 8.310 nan 0.000 0.462 106 L N 1.591 122.707 121.223 -0.178 0.000 2.127 106 L HA 0.176 4.517 4.340 0.001 0.000 0.211 106 L C 1.692 178.435 176.870 -0.213 0.000 1.089 106 L CA 2.138 56.719 54.840 -0.432 0.000 0.757 106 L CB -0.703 41.082 42.059 -0.456 0.000 0.899 106 L HN 0.864 nan 8.230 nan 0.000 0.434 107 E N -1.133 118.991 120.200 -0.127 0.000 2.481 107 E HA 0.253 4.604 4.350 0.001 0.000 0.198 107 E C 0.882 177.437 176.600 -0.075 0.000 1.027 107 E CA 0.341 56.678 56.400 -0.104 0.000 0.900 107 E CB 0.024 29.674 29.700 -0.083 0.000 0.993 107 E HN 0.389 nan 8.360 nan 0.000 0.482 108 G N 0.818 109.584 108.800 -0.056 0.000 2.606 108 G HA2 0.147 4.107 3.960 0.001 0.000 0.252 108 G HA3 0.147 4.107 3.960 0.001 0.000 0.252 108 G C -0.350 174.530 174.900 -0.033 0.000 1.206 108 G CA -0.511 44.566 45.100 -0.038 0.000 0.861 108 G HN 0.029 nan 8.290 nan 0.000 0.561 109 E N -0.134 120.051 120.200 -0.025 0.000 2.324 109 E HA 0.455 4.805 4.350 0.001 0.000 0.271 109 E C 0.461 177.063 176.600 0.003 0.000 1.028 109 E CA -0.069 56.324 56.400 -0.012 0.000 0.890 109 E CB 0.675 30.369 29.700 -0.010 0.000 1.004 109 E HN 0.613 nan 8.360 nan 0.000 0.431 110 A N 5.232 128.075 122.820 0.038 0.000 2.322 110 A HA 0.687 5.007 4.320 0.001 0.000 0.269 110 A C -0.306 177.344 177.584 0.110 0.000 1.094 110 A CA -0.434 51.649 52.037 0.077 0.000 0.807 110 A CB 0.436 19.539 19.000 0.172 0.000 1.047 110 A HN 0.784 nan 8.150 nan 0.000 0.487 111 R N 0.184 120.744 120.500 0.101 0.000 2.774 111 R HA 0.632 4.973 4.340 0.001 0.000 0.272 111 R C -1.696 174.600 176.300 -0.006 0.000 1.000 111 R CA -0.876 55.273 56.100 0.082 0.000 0.906 111 R CB 1.013 31.318 30.300 0.008 0.000 1.227 111 R HN 0.303 nan 8.270 nan 0.000 0.468 112 V N 2.799 122.627 119.914 -0.144 0.000 2.529 112 V HA -0.004 4.116 4.120 0.001 0.000 0.292 112 V C 0.355 176.307 176.094 -0.236 0.000 1.028 112 V CA 0.427 62.473 62.300 -0.424 0.000 1.074 112 V CB 0.216 31.824 31.823 -0.358 0.000 0.958 112 V HN 0.724 nan 8.190 nan 0.000 0.481 113 F N 5.640 125.331 119.950 -0.432 0.000 2.419 113 F HA 0.457 4.984 4.527 0.001 0.000 0.283 113 F C 0.330 175.937 175.800 -0.322 0.000 1.044 113 F CA 0.356 58.164 58.000 -0.319 0.000 1.376 113 F CB 0.594 39.424 39.000 -0.283 0.000 1.131 113 F HN 0.355 nan 8.300 nan 0.000 0.585 114 L N 1.399 122.386 121.223 -0.393 0.000 2.491 114 L HA 0.363 4.704 4.340 0.001 0.000 0.267 114 L C -1.827 174.879 176.870 -0.273 0.000 0.971 114 L CA -0.405 54.186 54.840 -0.414 0.000 0.857 114 L CB 1.094 42.898 42.059 -0.425 0.000 1.226 114 L HN 0.000 nan 8.230 nan 0.000 0.408 115 D N 6.281 126.539 120.400 -0.236 0.000 2.460 115 D HA 0.478 5.119 4.640 0.001 0.000 0.232 115 D C -2.048 174.194 176.300 -0.096 0.000 1.079 115 D CA -2.060 51.842 54.000 -0.164 0.000 0.864 115 D CB 2.152 42.850 40.800 -0.171 0.000 1.048 115 D HN 0.307 nan 8.370 nan 0.000 0.523 116 P HA -0.014 nan 4.420 nan 0.000 0.226 116 P C 0.983 178.280 177.300 -0.005 0.000 1.153 116 P CA 0.452 63.549 63.100 -0.005 0.000 0.777 116 P CB 0.337 32.059 31.700 0.036 0.000 0.794 117 N N 0.268 118.956 118.700 -0.020 0.000 2.289 117 N HA -0.096 4.644 4.740 0.001 0.000 0.184 117 N C 1.629 177.129 175.510 -0.017 0.000 1.016 117 N CA 1.124 54.164 53.050 -0.016 0.000 0.872 117 N CB -0.392 38.079 38.487 -0.027 0.000 0.973 117 N HN 0.347 nan 8.380 nan 0.000 0.433 118 I N -2.101 118.453 120.570 -0.027 0.000 3.428 118 I HA 0.020 4.191 4.170 0.001 0.000 0.286 118 I C 1.509 177.620 176.117 -0.010 0.000 1.287 118 I CA 0.488 61.774 61.300 -0.023 0.000 1.396 118 I CB -0.259 37.719 38.000 -0.036 0.000 1.062 118 I HN -0.070 nan 8.210 nan 0.000 0.471 119 L N 1.292 122.515 121.223 -0.001 0.000 2.418 119 L HA 0.135 4.476 4.340 0.001 0.000 0.218 119 L C 0.650 177.529 176.870 0.015 0.000 1.125 119 L CA 0.422 55.270 54.840 0.013 0.000 0.835 119 L CB -0.256 41.821 42.059 0.030 0.000 0.953 119 L HN 0.557 nan 8.230 nan 0.000 0.454 120 S N -3.168 112.540 115.700 0.013 0.000 2.548 120 S HA 0.207 4.677 4.470 0.001 0.000 0.278 120 S C -0.267 174.341 174.600 0.012 0.000 1.150 120 S CA -0.891 57.319 58.200 0.015 0.000 0.907 120 S CB 1.438 64.652 63.200 0.023 0.000 1.108 120 S HN -0.071 nan 8.310 nan 0.000 0.459 121 D N 1.711 122.118 120.400 0.012 0.000 2.178 121 D HA -0.043 4.597 4.640 0.001 0.000 0.202 121 D C 1.137 177.445 176.300 0.015 0.000 0.974 121 D CA 1.765 55.771 54.000 0.010 0.000 0.841 121 D CB -0.129 40.678 40.800 0.010 0.000 0.953 121 D HN 0.859 nan 8.370 nan 0.000 0.478 122 D N -1.011 119.401 120.400 0.020 0.000 2.339 122 D HA 0.132 4.772 4.640 0.001 0.000 0.217 122 D C 1.404 177.720 176.300 0.027 0.000 1.050 122 D CA 0.531 54.546 54.000 0.025 0.000 0.856 122 D CB -0.246 40.571 40.800 0.028 0.000 0.922 122 D HN 0.134 nan 8.370 nan 0.000 0.518 123 G N 0.672 109.487 108.800 0.025 0.000 2.160 123 G HA2 -0.335 3.625 3.960 0.001 0.000 0.251 123 G HA3 -0.335 3.625 3.960 0.001 0.000 0.251 123 G C 0.981 175.902 174.900 0.036 0.000 1.008 123 G CA 0.927 46.044 45.100 0.028 0.000 0.724 123 G HN 0.568 nan 8.290 nan 0.000 0.514 124 T N -2.961 111.615 114.554 0.037 0.000 3.113 124 T HA 0.407 4.757 4.350 0.001 0.000 0.256 124 T C 0.852 175.580 174.700 0.047 0.000 1.131 124 T CA 0.679 62.805 62.100 0.043 0.000 1.074 124 T CB 0.739 69.633 68.868 0.043 0.000 0.944 124 T HN 0.614 nan 8.240 nan 0.000 0.516 125 V N 1.956 121.897 119.914 0.045 0.000 2.370 125 V HA 0.773 4.893 4.120 0.001 0.000 0.279 125 V C 0.190 176.320 176.094 0.061 0.000 1.029 125 V CA -0.832 61.499 62.300 0.053 0.000 0.870 125 V CB 0.556 32.408 31.823 0.049 0.000 0.984 125 V HN 0.669 nan 8.190 nan 0.000 0.451 126 A N 4.628 127.491 122.820 0.071 0.000 2.469 126 A HA 0.860 5.180 4.320 0.001 0.000 0.299 126 A C -1.007 176.640 177.584 0.106 0.000 1.098 126 A CA -0.786 51.298 52.037 0.079 0.000 0.737 126 A CB 1.537 20.576 19.000 0.066 0.000 1.312 126 A HN 0.793 nan 8.150 nan 0.000 0.414 127 L N 0.928 122.227 121.223 0.127 0.000 2.410 127 L HA 0.511 4.852 4.340 0.001 0.000 0.273 127 L C 0.528 177.485 176.870 0.145 0.000 1.152 127 L CA 0.718 55.666 54.840 0.181 0.000 0.855 127 L CB 0.280 42.476 42.059 0.228 0.000 1.129 127 L HN 0.678 nan 8.230 nan 0.000 0.463 128 R N 4.392 124.979 120.500 0.146 0.000 2.607 128 R HA 0.546 4.887 4.340 0.001 0.000 0.278 128 R C -0.623 175.737 176.300 0.101 0.000 1.637 128 R CA 0.168 56.330 56.100 0.104 0.000 1.325 128 R CB 0.420 30.760 30.300 0.067 0.000 1.211 128 R HN 1.053 nan 8.270 nan 0.000 0.565 129 G N 2.785 111.663 108.800 0.129 0.000 2.721 129 G HA2 -0.212 3.748 3.960 0.001 0.000 0.686 129 G HA3 -0.212 3.748 3.960 0.001 0.000 0.686 129 G C -1.428 173.569 174.900 0.161 0.000 1.236 129 G CA -0.228 44.911 45.100 0.066 0.000 0.786 129 G HN 0.715 nan 8.290 nan 0.000 0.616 130 Y N -2.349 117.983 120.300 0.052 0.000 2.677 130 Y HA 0.904 5.454 4.550 0.001 0.000 0.334 130 Y C -0.282 175.642 175.900 0.039 0.000 1.196 130 Y CA -1.054 57.019 58.100 -0.044 0.000 1.059 130 Y CB 0.928 39.418 38.460 0.051 0.000 1.315 130 Y HN 2.286 nan 8.280 nan 0.000 0.455 131 A N 1.791 124.710 122.820 0.166 0.000 2.491 131 A HA 0.691 5.011 4.320 0.001 0.000 0.293 131 A C -2.194 175.664 177.584 0.457 0.000 1.047 131 A CA -0.613 51.641 52.037 0.362 0.000 0.735 131 A CB 0.518 19.745 19.000 0.377 0.000 1.281 131 A HN 0.602 nan 8.150 nan 0.000 0.398 132 F N 1.826 122.022 119.950 0.411 0.000 2.377 132 F HA 0.518 5.046 4.527 0.001 0.000 0.328 132 F C 1.528 177.200 175.800 -0.213 0.000 1.094 132 F CA 0.415 58.528 58.000 0.187 0.000 1.093 132 F CB 1.762 40.838 39.000 0.126 0.000 1.214 132 F HN 0.681 nan 8.300 nan 0.000 0.518 133 S N 0.599 115.952 115.700 -0.578 0.000 2.589 133 S HA 0.027 4.497 4.470 0.001 0.000 0.265 133 S C 1.135 175.622 174.600 -0.190 0.000 1.342 133 S CA -0.461 57.235 58.200 -0.839 0.000 1.005 133 S CB 0.961 63.611 63.200 -0.916 0.000 0.909 133 S HN 0.722 nan 8.310 nan 0.000 0.555 134 E N 1.354 121.476 120.200 -0.131 0.000 2.097 134 E HA -0.232 4.118 4.350 0.001 0.000 0.196 134 E C 1.254 177.793 176.600 -0.102 0.000 1.000 134 E CA 2.101 58.396 56.400 -0.175 0.000 0.804 134 E CB -0.499 28.914 29.700 -0.478 0.000 0.740 134 E HN 0.876 nan 8.360 nan 0.000 0.454 135 D N -1.395 118.966 120.400 -0.065 0.000 2.349 135 D HA 0.057 4.698 4.640 0.001 0.000 0.224 135 D C 1.351 177.643 176.300 -0.012 0.000 1.029 135 D CA 0.865 54.851 54.000 -0.023 0.000 0.879 135 D CB -0.320 40.487 40.800 0.013 0.000 0.906 135 D HN 0.333 nan 8.370 nan 0.000 0.528 136 G N 0.386 109.184 108.800 -0.003 0.000 2.168 136 G HA2 -0.323 3.637 3.960 0.001 0.000 0.263 136 G HA3 -0.323 3.637 3.960 0.001 0.000 0.263 136 G C 0.903 175.862 174.900 0.097 0.000 0.977 136 G CA 0.435 45.562 45.100 0.044 0.000 0.659 136 G HN 0.382 nan 8.290 nan 0.000 0.533 137 E N -1.182 119.047 120.200 0.049 0.000 2.385 137 E HA 0.196 4.547 4.350 0.001 0.000 0.194 137 E C 0.237 176.680 176.600 -0.262 0.000 1.013 137 E CA 0.524 56.897 56.400 -0.045 0.000 0.866 137 E CB 0.261 29.954 29.700 -0.013 0.000 0.832 137 E HN 0.646 nan 8.360 nan 0.000 0.500 138 Y N -0.729 119.566 120.300 -0.007 0.000 2.536 138 Y HA 0.458 5.008 4.550 0.001 0.000 0.347 138 Y C -0.789 175.164 175.900 0.090 0.000 1.000 138 Y CA -1.300 56.813 58.100 0.021 0.000 1.051 138 Y CB 1.712 40.074 38.460 -0.164 0.000 1.259 138 Y HN -0.207 nan 8.280 nan 0.000 0.468 139 F N 1.733 121.830 119.950 0.246 0.000 2.574 139 F HA 0.835 5.363 4.527 0.001 0.000 0.313 139 F C -1.308 174.681 175.800 0.315 0.000 1.130 139 F CA -0.885 57.150 58.000 0.059 0.000 0.936 139 F CB 1.118 40.012 39.000 -0.177 0.000 1.219 139 F HN 0.527 nan 8.300 nan 0.000 0.445 140 A N 5.321 127.944 122.820 -0.328 0.000 2.337 140 A HA 0.803 5.123 4.320 0.001 0.000 0.329 140 A C -2.059 175.019 177.584 -0.843 0.000 1.146 140 A CA -0.491 51.118 52.037 -0.713 0.000 0.800 140 A CB 0.761 19.370 19.000 -0.651 0.000 1.220 140 A HN 0.999 nan 8.150 nan 0.000 0.472 141 Y N -0.555 119.260 120.300 -0.809 0.000 2.513 141 Y HA 0.742 5.293 4.550 0.001 0.000 0.340 141 Y C 0.047 175.781 175.900 -0.277 0.000 1.055 141 Y CA -1.063 56.746 58.100 -0.484 0.000 1.020 141 Y CB 0.829 39.060 38.460 -0.380 0.000 1.301 141 Y HN 0.845 nan 8.280 nan 0.000 0.453 142 G N 2.978 111.740 108.800 -0.064 0.000 2.389 142 G HA2 0.640 4.601 3.960 0.001 0.000 0.317 142 G HA3 0.640 4.601 3.960 0.001 0.000 0.317 142 G C -1.590 173.338 174.900 0.047 0.000 1.137 142 G CA -1.062 43.985 45.100 -0.087 0.000 0.870 142 G HN 0.742 nan 8.290 nan 0.000 0.496 143 L N 1.076 122.300 121.223 0.002 0.000 2.385 143 L HA 0.495 4.835 4.340 0.001 0.000 0.273 143 L C -0.145 176.754 176.870 0.047 0.000 0.990 143 L CA -0.669 54.211 54.840 0.065 0.000 0.821 143 L CB 2.400 44.498 42.059 0.064 0.000 1.279 143 L HN 0.413 nan 8.230 nan 0.000 0.412 144 S N 1.670 117.409 115.700 0.065 0.000 2.482 144 S HA 0.753 5.223 4.470 0.001 0.000 0.303 144 S C -0.302 174.337 174.600 0.066 0.000 1.091 144 S CA -0.591 57.648 58.200 0.066 0.000 1.057 144 S CB 1.949 65.187 63.200 0.063 0.000 1.031 144 S HN 0.650 nan 8.310 nan 0.000 0.485 145 A N 1.818 124.678 122.820 0.067 0.000 2.292 145 A HA 0.691 5.011 4.320 0.001 0.000 0.319 145 A C 0.664 178.288 177.584 0.068 0.000 1.206 145 A CA -0.548 51.524 52.037 0.059 0.000 0.835 145 A CB 0.010 19.037 19.000 0.044 0.000 1.164 145 A HN 1.209 nan 8.150 nan 0.000 0.505 146 S N 1.095 116.833 115.700 0.064 0.000 3.587 146 S HA -0.168 4.303 4.470 0.001 0.000 0.337 146 S C 1.401 176.050 174.600 0.082 0.000 1.119 146 S CA 1.755 59.997 58.200 0.071 0.000 0.976 146 S CB -1.645 61.600 63.200 0.075 0.000 0.922 146 S HN 2.785 nan 8.310 nan 0.000 0.503 147 G N -0.085 108.762 108.800 0.079 0.000 2.184 147 G HA2 -0.340 3.620 3.960 0.001 0.000 0.264 147 G HA3 -0.340 3.620 3.960 0.001 0.000 0.264 147 G C 0.217 175.172 174.900 0.091 0.000 0.975 147 G CA 0.839 45.991 45.100 0.086 0.000 0.642 147 G HN 1.545 nan 8.290 nan 0.000 0.536 148 S N -0.247 115.509 115.700 0.093 0.000 2.573 148 S HA 0.338 4.809 4.470 0.001 0.000 0.277 148 S C 1.281 175.898 174.600 0.027 0.000 1.346 148 S CA 0.546 58.802 58.200 0.093 0.000 1.034 148 S CB 0.588 63.885 63.200 0.162 0.000 0.879 148 S HN 0.201 nan 8.310 nan 0.000 0.528 149 D N 1.974 122.318 120.400 -0.093 0.000 2.317 149 D HA 0.050 4.691 4.640 0.001 0.000 0.211 149 D C -0.132 175.953 176.300 -0.359 0.000 0.966 149 D CA 0.281 54.115 54.000 -0.277 0.000 0.876 149 D CB 0.023 40.534 40.800 -0.482 0.000 0.927 149 D HN 0.588 nan 8.370 nan 0.000 0.519 150 W N 0.844 122.054 121.300 -0.150 0.000 2.181 150 W HA 0.223 4.884 4.660 0.001 0.000 0.335 150 W C 0.281 176.750 176.519 -0.084 0.000 1.310 150 W CA -0.343 56.928 57.345 -0.124 0.000 1.226 150 W CB 0.738 30.147 29.460 -0.085 0.000 1.155 150 W HN -0.385 nan 8.180 nan 0.000 0.565 151 V N 2.478 122.512 119.914 0.201 0.000 2.962 151 V HA 0.506 4.626 4.120 0.001 0.000 0.313 151 V C -0.271 175.853 176.094 0.050 0.000 1.099 151 V CA -0.962 61.389 62.300 0.084 0.000 0.971 151 V CB 2.381 34.220 31.823 0.026 0.000 1.028 151 V HN 0.411 nan 8.190 nan 0.000 0.430 152 T N 4.506 119.044 114.554 -0.027 0.000 2.786 152 T HA 0.616 4.967 4.350 0.001 0.000 0.283 152 T C -0.387 174.188 174.700 -0.209 0.000 0.992 152 T CA -0.117 61.923 62.100 -0.100 0.000 0.954 152 T CB 0.790 69.604 68.868 -0.090 0.000 0.934 152 T HN 0.370 nan 8.240 nan 0.000 0.440 153 I N 3.717 124.112 120.570 -0.291 0.000 2.331 153 I HA 0.414 4.584 4.170 0.001 0.000 0.292 153 I C 0.444 176.237 176.117 -0.540 0.000 0.998 153 I CA -0.546 60.469 61.300 -0.475 0.000 1.267 153 I CB 1.037 38.727 38.000 -0.517 0.000 1.386 153 I HN 0.346 nan 8.210 nan 0.000 0.476 154 K N 5.127 125.007 120.400 -0.866 0.000 2.352 154 K HA 0.716 5.036 4.320 0.001 0.000 0.240 154 K C -1.421 174.701 176.600 -0.797 0.000 1.017 154 K CA -0.701 55.177 56.287 -0.681 0.000 0.851 154 K CB 2.244 34.326 32.500 -0.696 0.000 1.261 154 K HN 0.208 nan 8.250 nan 0.000 0.451 155 F N 0.594 120.462 119.950 -0.137 0.000 2.603 155 F HA 0.575 5.102 4.527 0.001 0.000 0.317 155 F C -0.266 175.722 175.800 0.313 0.000 1.066 155 F CA -0.814 57.275 58.000 0.148 0.000 0.941 155 F CB 1.815 40.921 39.000 0.176 0.000 1.291 155 F HN 0.167 nan 8.300 nan 0.000 0.472 156 M N 1.334 121.296 119.600 0.604 0.000 2.520 156 M HA 0.343 4.824 4.480 0.001 0.000 0.283 156 M C -1.133 175.400 176.300 0.389 0.000 1.237 156 M CA -0.819 54.740 55.300 0.432 0.000 0.885 156 M CB 3.040 35.838 32.600 0.330 0.000 1.727 156 M HN 0.480 nan 8.290 nan 0.000 0.468 157 K N 1.273 121.784 120.400 0.184 0.000 2.227 157 K HA 0.416 4.736 4.320 0.001 0.000 0.280 157 K C 0.240 176.845 176.600 0.009 0.000 1.041 157 K CA -0.371 55.826 56.287 -0.150 0.000 0.905 157 K CB 1.388 33.792 32.500 -0.160 0.000 1.068 157 K HN 0.611 nan 8.250 nan 0.000 0.470 158 V N 2.339 122.260 119.914 0.011 0.000 2.287 158 V HA -0.206 3.915 4.120 0.001 0.000 0.248 158 V C 0.746 176.945 176.094 0.175 0.000 1.053 158 V CA 1.601 64.045 62.300 0.241 0.000 1.027 158 V CB -0.513 31.409 31.823 0.164 0.000 0.646 158 V HN 0.883 nan 8.190 nan 0.000 0.447 159 D N 0.024 120.439 120.400 0.024 0.000 2.363 159 D HA 0.346 4.987 4.640 0.001 0.000 0.263 159 D C 1.085 177.402 176.300 0.027 0.000 1.258 159 D CA 1.146 55.154 54.000 0.014 0.000 0.907 159 D CB 0.190 40.977 40.800 -0.022 0.000 1.107 159 D HN 0.446 nan 8.370 nan 0.000 0.495 160 G N 3.194 112.020 108.800 0.043 0.000 2.175 160 G HA2 -0.144 3.817 3.960 0.001 0.000 0.244 160 G HA3 -0.144 3.817 3.960 0.001 0.000 0.244 160 G C 0.768 175.680 174.900 0.020 0.000 0.982 160 G CA 0.394 45.509 45.100 0.025 0.000 0.641 160 G HN 1.682 nan 8.290 nan 0.000 0.527 161 A N -1.047 121.811 122.820 0.064 0.000 2.560 161 A HA -0.098 4.223 4.320 0.001 0.000 0.299 161 A C 0.747 178.284 177.584 -0.079 0.000 1.484 161 A CA 2.094 54.096 52.037 -0.059 0.000 0.749 161 A CB -1.216 17.659 19.000 -0.208 0.000 1.072 161 A HN 0.950 nan 8.150 nan 0.000 0.426 162 K N 1.179 121.579 120.400 0.001 0.000 2.297 162 K HA 0.295 4.616 4.320 0.001 0.000 0.286 162 K C 0.317 176.958 176.600 0.068 0.000 1.053 162 K CA -0.319 55.984 56.287 0.026 0.000 0.940 162 K CB 0.703 33.233 32.500 0.049 0.000 1.019 162 K HN 0.524 nan 8.250 nan 0.000 0.475 163 E N 2.811 123.047 120.200 0.061 0.000 2.360 163 E HA 0.174 4.525 4.350 0.001 0.000 0.269 163 E C 0.191 176.872 176.600 0.136 0.000 1.022 163 E CA -0.171 56.297 56.400 0.113 0.000 0.887 163 E CB 0.816 30.567 29.700 0.084 0.000 0.990 163 E HN 0.359 nan 8.360 nan 0.000 0.426 164 L N 3.755 125.093 121.223 0.192 0.000 2.358 164 L HA 0.306 4.647 4.340 0.001 0.000 0.268 164 L C -1.340 175.603 176.870 0.123 0.000 1.032 164 L CA -1.887 53.058 54.840 0.174 0.000 0.805 164 L CB 0.815 43.023 42.059 0.249 0.000 1.253 164 L HN 0.297 nan 8.230 nan 0.000 0.452 165 P HA -0.022 nan 4.420 nan 0.000 0.225 165 P C -0.672 176.639 177.300 0.017 0.000 1.156 165 P CA 0.434 63.556 63.100 0.037 0.000 0.787 165 P CB 0.032 31.742 31.700 0.017 0.000 0.802 166 D N -0.120 120.282 120.400 0.004 0.000 2.487 166 D HA 0.163 4.804 4.640 0.001 0.000 0.243 166 D C -0.297 176.009 176.300 0.009 0.000 1.154 166 D CA 0.640 54.599 54.000 -0.068 0.000 0.876 166 D CB 0.236 40.834 40.800 -0.337 0.000 1.161 166 D HN -0.117 nan 8.370 nan 0.000 0.478 167 V N 3.559 123.407 119.914 -0.110 0.000 2.623 167 V HA 0.321 4.442 4.120 0.001 0.000 0.304 167 V C -0.388 175.563 176.094 -0.237 0.000 1.054 167 V CA -0.846 61.378 62.300 -0.127 0.000 0.882 167 V CB 1.609 33.372 31.823 -0.100 0.000 1.002 167 V HN 0.384 nan 8.190 nan 0.000 0.424 168 L N 4.492 125.545 121.223 -0.283 0.000 2.305 168 L HA 0.673 5.014 4.340 0.001 0.000 0.284 168 L C -0.100 176.633 176.870 -0.230 0.000 1.013 168 L CA -0.498 54.120 54.840 -0.370 0.000 0.819 168 L CB 1.714 43.369 42.059 -0.672 0.000 1.227 168 L HN 0.542 nan 8.230 nan 0.000 0.417 169 E N 3.141 123.249 120.200 -0.154 0.000 2.243 169 E HA 0.466 4.817 4.350 0.001 0.000 0.260 169 E C 0.044 176.648 176.600 0.008 0.000 0.985 169 E CA -0.749 55.604 56.400 -0.079 0.000 0.858 169 E CB 1.250 30.892 29.700 -0.098 0.000 1.210 169 E HN 0.351 nan 8.360 nan 0.000 0.411 170 R N -1.557 118.974 120.500 0.052 0.000 3.878 170 R HA -0.121 4.220 4.340 0.001 0.000 0.330 170 R C -0.363 176.228 176.300 0.485 0.000 1.186 170 R CA 0.250 56.477 56.100 0.211 0.000 0.885 170 R CB -2.835 27.549 30.300 0.140 0.000 1.377 170 R HN 0.270 nan 8.270 nan 0.000 0.523 171 V N 1.192 121.324 119.914 0.364 0.000 2.583 171 V HA 0.440 4.560 4.120 0.001 0.000 0.287 171 V C 0.671 176.927 176.094 0.271 0.000 1.051 171 V CA 0.122 62.615 62.300 0.323 0.000 1.010 171 V CB 1.765 33.690 31.823 0.170 0.000 0.988 171 V HN 0.197 nan 8.190 nan 0.000 0.478 172 K N 3.600 124.101 120.400 0.168 0.000 2.569 172 K HA 0.397 4.718 4.320 0.001 0.000 0.259 172 K C -1.071 175.503 176.600 -0.044 0.000 0.932 172 K CA -0.794 55.369 56.287 -0.208 0.000 0.833 172 K CB 0.926 33.023 32.500 -0.672 0.000 1.340 172 K HN 0.296 nan 8.250 nan 0.000 0.429 173 F N -0.054 119.945 119.950 0.082 0.000 2.943 173 F HA -0.223 4.305 4.527 0.001 0.000 0.258 173 F C 0.140 176.000 175.800 0.099 0.000 0.995 173 F CA 0.936 58.985 58.000 0.081 0.000 0.896 173 F CB -1.890 37.171 39.000 0.102 0.000 0.821 173 F HN 0.330 nan 8.300 nan 0.000 0.828 174 S N -0.174 115.650 115.700 0.206 0.000 2.565 174 S HA 0.711 5.181 4.470 0.001 0.000 0.290 174 S C 0.358 175.052 174.600 0.156 0.000 1.150 174 S CA -0.332 57.978 58.200 0.183 0.000 1.058 174 S CB 0.908 64.225 63.200 0.194 0.000 1.032 174 S HN 0.612 nan 8.310 nan 0.000 0.510 175 C N 4.050 123.446 119.300 0.160 0.000 2.480 175 C HA 0.771 5.231 4.460 0.001 0.000 0.358 175 C C -0.103 174.995 174.990 0.181 0.000 1.309 175 C CA -0.866 58.242 59.018 0.150 0.000 2.465 175 C CB -0.533 27.293 27.740 0.143 0.000 2.379 175 C HN 0.819 nan 8.230 nan 0.000 0.642 176 M N 2.318 122.021 119.600 0.171 0.000 2.164 176 M HA 0.524 5.004 4.480 0.001 0.000 0.260 176 M C -0.674 175.767 176.300 0.236 0.000 0.974 176 M CA -0.004 55.394 55.300 0.164 0.000 1.020 176 M CB 1.783 34.428 32.600 0.074 0.000 1.903 176 M HN 1.017 nan 8.290 nan 0.000 0.469 177 A N 2.976 125.983 122.820 0.311 0.000 2.414 177 A HA 0.718 5.039 4.320 0.001 0.000 0.286 177 A C -1.981 175.909 177.584 0.511 0.000 1.073 177 A CA -0.464 51.836 52.037 0.438 0.000 0.727 177 A CB 0.776 20.041 19.000 0.440 0.000 1.215 177 A HN 0.846 nan 8.150 nan 0.000 0.430 178 W N 2.180 123.709 121.300 0.383 0.000 2.272 178 W HA 0.453 5.113 4.660 0.001 0.000 0.318 178 W C 1.106 177.887 176.519 0.436 0.000 1.255 178 W CA 0.460 58.020 57.345 0.359 0.000 1.200 178 W CB 1.133 30.768 29.460 0.291 0.000 1.170 178 W HN 0.740 nan 8.180 nan 0.000 0.549 179 T N -1.203 113.739 114.554 0.646 0.000 2.918 179 T HA 0.069 4.419 4.350 0.001 0.000 0.302 179 T C 0.802 175.839 174.700 0.563 0.000 1.045 179 T CA -0.304 62.125 62.100 0.549 0.000 1.114 179 T CB 0.650 69.751 68.868 0.388 0.000 0.965 179 T HN 0.578 nan 8.240 nan 0.000 0.540 180 H N 0.657 119.892 119.070 0.275 0.000 2.545 180 H HA -0.065 4.492 4.556 0.001 0.000 0.282 180 H C 1.451 176.881 175.328 0.169 0.000 1.020 180 H CA 0.854 57.029 56.048 0.211 0.000 1.243 180 H CB 0.216 30.081 29.762 0.172 0.000 1.377 180 H HN 0.773 nan 8.280 nan 0.000 0.581 181 D N -0.242 120.328 120.400 0.284 0.000 2.363 181 D HA -0.019 4.621 4.640 0.001 0.000 0.220 181 D C 1.750 178.156 176.300 0.177 0.000 0.994 181 D CA 0.762 54.876 54.000 0.190 0.000 0.890 181 D CB -0.350 40.539 40.800 0.148 0.000 0.906 181 D HN 0.367 nan 8.370 nan 0.000 0.530 182 G N 1.076 110.017 108.800 0.236 0.000 2.155 182 G HA2 -0.440 3.521 3.960 0.001 0.000 0.257 182 G HA3 -0.440 3.521 3.960 0.001 0.000 0.257 182 G C 0.934 175.963 174.900 0.215 0.000 0.983 182 G CA 0.714 45.943 45.100 0.214 0.000 0.676 182 G HN 0.553 nan 8.290 nan 0.000 0.528 183 K N -0.057 120.472 120.400 0.214 0.000 2.167 183 K HA 0.370 4.690 4.320 0.001 0.000 0.203 183 K C 1.420 178.032 176.600 0.020 0.000 1.052 183 K CA 1.575 57.933 56.287 0.117 0.000 0.956 183 K CB -0.071 32.511 32.500 0.137 0.000 0.735 183 K HN 0.932 nan 8.250 nan 0.000 0.451 184 G N -0.246 108.584 108.800 0.051 0.000 2.489 184 G HA2 0.381 4.342 3.960 0.001 0.000 0.305 184 G HA3 0.381 4.342 3.960 0.001 0.000 0.305 184 G C -1.950 172.641 174.900 -0.516 0.000 1.311 184 G CA -0.741 44.063 45.100 -0.493 0.000 0.813 184 G HN 0.087 nan 8.290 nan 0.000 0.480 185 M N 0.038 119.110 119.600 -0.879 0.000 2.378 185 M HA 0.662 5.142 4.480 0.001 0.000 0.289 185 M C -1.585 174.604 176.300 -0.186 0.000 1.136 185 M CA -0.704 54.279 55.300 -0.529 0.000 0.917 185 M CB 1.967 34.010 32.600 -0.929 0.000 1.669 185 M HN 0.366 nan 8.290 nan 0.000 0.461 186 F N 4.146 124.246 119.950 0.250 0.000 2.389 186 F HA 0.518 5.045 4.527 0.001 0.000 0.337 186 F C -0.182 175.801 175.800 0.305 0.000 1.112 186 F CA 0.432 58.629 58.000 0.329 0.000 1.192 186 F CB 0.625 39.803 39.000 0.297 0.000 1.185 186 F HN 0.518 nan 8.300 nan 0.000 0.552 187 Y N -0.633 119.874 120.300 0.345 0.000 2.713 187 Y HA 0.548 5.098 4.550 0.001 0.000 0.335 187 Y C -2.001 174.048 175.900 0.248 0.000 1.222 187 Y CA -1.962 56.266 58.100 0.214 0.000 1.061 187 Y CB 0.808 39.333 38.460 0.108 0.000 1.314 187 Y HN 0.533 nan 8.280 nan 0.000 0.453 188 N N 0.682 119.480 118.700 0.163 0.000 2.370 188 N HA 0.868 5.609 4.740 0.001 0.000 0.303 188 N C -1.461 174.174 175.510 0.208 0.000 1.103 188 N CA -0.574 52.522 53.050 0.076 0.000 0.848 188 N CB 2.228 40.761 38.487 0.077 0.000 1.235 188 N HN 0.972 nan 8.380 nan 0.000 0.496 189 A N 0.952 123.883 122.820 0.185 0.000 2.606 189 A HA 0.620 4.941 4.320 0.001 0.000 0.293 189 A C -1.958 175.740 177.584 0.190 0.000 1.082 189 A CA -0.523 51.686 52.037 0.287 0.000 0.685 189 A CB 0.721 19.889 19.000 0.280 0.000 1.284 189 A HN 0.603 nan 8.150 nan 0.000 0.408 190 Y N 0.505 121.020 120.300 0.358 0.000 2.457 190 Y HA 0.522 5.073 4.550 0.001 0.000 0.333 190 Y C -2.045 174.026 175.900 0.284 0.000 1.119 190 Y CA -1.899 56.409 58.100 0.346 0.000 1.143 190 Y CB 1.214 39.932 38.460 0.430 0.000 1.230 190 Y HN 0.445 nan 8.280 nan 0.000 0.469 191 P HA 0.014 nan 4.420 nan 0.000 0.268 191 P C -1.077 176.343 177.300 0.200 0.000 1.205 191 P CA -0.148 63.099 63.100 0.245 0.000 0.771 191 P CB 0.431 32.250 31.700 0.199 0.000 0.858 192 Q N 1.786 121.649 119.800 0.106 0.000 2.263 192 Q HA -0.022 4.319 4.340 0.001 0.000 0.289 192 Q C 0.397 176.423 176.000 0.045 0.000 1.061 192 Q CA 0.597 56.423 55.803 0.039 0.000 0.927 192 Q CB 0.181 28.921 28.738 0.003 0.000 1.154 192 Q HN 0.438 nan 8.270 nan 0.000 0.378 193 Q N 1.755 121.566 119.800 0.018 0.000 2.351 193 Q HA 0.435 4.776 4.340 0.001 0.000 0.273 193 Q C -1.007 174.988 176.000 -0.008 0.000 1.077 193 Q CA -1.084 54.738 55.803 0.032 0.000 0.843 193 Q CB 1.618 30.402 28.738 0.077 0.000 1.367 193 Q HN 0.349 nan 8.270 nan 0.000 0.449 194 D N 0.116 120.519 120.400 0.006 0.000 2.358 194 D HA 0.448 5.088 4.640 0.001 0.000 0.244 194 D C 0.720 177.014 176.300 -0.009 0.000 1.163 194 D CA 1.410 55.406 54.000 -0.007 0.000 0.945 194 D CB 0.951 41.753 40.800 0.003 0.000 1.152 194 D HN 0.906 nan 8.370 nan 0.000 0.451 195 G N 0.545 109.334 108.800 -0.018 0.000 2.584 195 G HA2 -0.216 3.744 3.960 0.001 0.000 0.229 195 G HA3 -0.216 3.744 3.960 0.001 0.000 0.229 195 G C -0.547 174.325 174.900 -0.047 0.000 1.320 195 G CA -0.427 44.662 45.100 -0.017 0.000 0.891 195 G HN 0.509 nan 8.290 nan 0.000 0.573 196 K N -0.454 119.919 120.400 -0.045 0.000 2.095 196 K HA 0.693 5.014 4.320 0.001 0.000 0.252 196 K C -0.336 176.196 176.600 -0.113 0.000 0.977 196 K CA -0.221 56.015 56.287 -0.085 0.000 0.900 196 K CB 1.536 33.993 32.500 -0.071 0.000 1.060 196 K HN 0.375 nan 8.250 nan 0.000 0.449 197 S N 1.802 117.360 115.700 -0.236 0.000 2.407 197 S HA 0.063 4.534 4.470 0.001 0.000 0.166 197 S C -0.990 173.343 174.600 -0.445 0.000 1.445 197 S CA -0.632 57.270 58.200 -0.497 0.000 1.260 197 S CB 0.010 62.595 63.200 -1.026 0.000 1.401 197 S HN 0.759 nan 8.310 nan 0.000 0.379 198 D N -0.361 119.989 120.400 -0.083 0.000 2.556 198 D HA 0.278 4.918 4.640 0.001 0.000 0.237 198 D C 1.146 177.524 176.300 0.131 0.000 1.296 198 D CA 0.327 54.333 54.000 0.010 0.000 0.807 198 D CB -0.049 40.718 40.800 -0.055 0.000 1.084 198 D HN 0.518 nan 8.370 nan 0.000 0.510 199 G N 0.572 109.516 108.800 0.240 0.000 2.176 199 G HA2 -0.340 3.621 3.960 0.001 0.000 0.232 199 G HA3 -0.340 3.621 3.960 0.001 0.000 0.232 199 G C 1.130 176.116 174.900 0.142 0.000 0.986 199 G CA 0.814 46.033 45.100 0.199 0.000 0.643 199 G HN 0.632 nan 8.290 nan 0.000 0.522 200 T N -1.058 113.528 114.554 0.053 0.000 3.037 200 T HA 0.341 4.691 4.350 0.001 0.000 0.251 200 T C 1.042 175.787 174.700 0.074 0.000 1.079 200 T CA 1.072 63.162 62.100 -0.017 0.000 1.067 200 T CB 0.207 68.810 68.868 -0.441 0.000 0.948 200 T HN 0.780 nan 8.240 nan 0.000 0.496 201 E N 2.487 122.740 120.200 0.088 0.000 2.369 201 E HA 0.167 4.517 4.350 0.001 0.000 0.255 201 E C 0.356 177.036 176.600 0.134 0.000 1.172 201 E CA 0.071 56.535 56.400 0.106 0.000 0.932 201 E CB 1.000 30.767 29.700 0.112 0.000 1.040 201 E HN 0.322 nan 8.360 nan 0.000 0.454 202 T N -2.489 112.148 114.554 0.138 0.000 3.091 202 T HA 0.180 4.531 4.350 0.001 0.000 0.277 202 T C -0.015 174.812 174.700 0.212 0.000 0.996 202 T CA -0.494 61.713 62.100 0.178 0.000 0.897 202 T CB -0.181 68.788 68.868 0.169 0.000 1.109 202 T HN 0.266 nan 8.240 nan 0.000 0.534 203 S N 2.850 118.647 115.700 0.161 0.000 2.546 203 S HA 0.239 4.710 4.470 0.001 0.000 0.290 203 S C 0.565 175.232 174.600 0.111 0.000 1.290 203 S CA -0.201 58.077 58.200 0.130 0.000 1.069 203 S CB 0.788 64.064 63.200 0.126 0.000 0.846 203 S HN 0.569 nan 8.310 nan 0.000 0.495 204 T N 2.978 117.579 114.554 0.078 0.000 2.940 204 T HA 0.044 4.395 4.350 0.001 0.000 0.309 204 T C -0.018 174.738 174.700 0.094 0.000 1.056 204 T CA -0.227 61.920 62.100 0.080 0.000 1.137 204 T CB -0.342 68.553 68.868 0.044 0.000 0.976 204 T HN 0.628 nan 8.240 nan 0.000 0.547 205 N N 4.641 123.407 118.700 0.110 0.000 2.462 205 N HA 0.508 5.248 4.740 0.001 0.000 0.242 205 N C -0.802 174.880 175.510 0.287 0.000 1.010 205 N CA -0.450 52.615 53.050 0.024 0.000 0.939 205 N CB 0.837 39.175 38.487 -0.247 0.000 1.127 205 N HN 0.444 nan 8.380 nan 0.000 0.509 206 L N 0.922 122.337 121.223 0.320 0.000 2.283 206 L HA 0.476 4.817 4.340 0.001 0.000 0.259 206 L C 0.147 177.261 176.870 0.406 0.000 1.027 206 L CA -1.007 53.982 54.840 0.248 0.000 0.828 206 L CB 1.359 43.429 42.059 0.019 0.000 1.380 206 L HN 0.636 nan 8.230 nan 0.000 0.425 207 H N -0.088 119.112 119.070 0.217 0.000 2.770 207 H HA -0.173 4.384 4.556 0.001 0.000 0.309 207 H C 0.170 175.522 175.328 0.040 0.000 1.206 207 H CA 0.518 56.648 56.048 0.137 0.000 1.147 207 H CB -0.824 29.008 29.762 0.116 0.000 1.422 207 H HN 0.590 nan 8.280 nan 0.000 0.420 208 Q N 1.227 121.005 119.800 -0.037 0.000 2.330 208 Q HA 0.185 4.526 4.340 0.001 0.000 0.279 208 Q C -0.144 175.745 176.000 -0.186 0.000 1.024 208 Q CA 0.449 55.955 55.803 -0.495 0.000 0.900 208 Q CB 0.689 29.123 28.738 -0.506 0.000 1.221 208 Q HN 0.357 nan 8.270 nan 0.000 0.396 209 K N 2.822 123.099 120.400 -0.204 0.000 2.295 209 K HA 0.471 4.792 4.320 0.001 0.000 0.239 209 K C -1.253 175.165 176.600 -0.302 0.000 0.991 209 K CA -0.988 55.133 56.287 -0.277 0.000 0.845 209 K CB 1.338 33.603 32.500 -0.391 0.000 1.197 209 K HN 0.427 nan 8.250 nan 0.000 0.441 210 L N 2.251 123.241 121.223 -0.388 0.000 2.265 210 L HA 0.398 4.739 4.340 0.001 0.000 0.289 210 L C -1.613 175.050 176.870 -0.345 0.000 1.033 210 L CA -0.051 54.643 54.840 -0.243 0.000 0.814 210 L CB 0.209 42.187 42.059 -0.135 0.000 1.203 210 L HN 0.463 nan 8.230 nan 0.000 0.423 211 Y N 3.910 124.061 120.300 -0.249 0.000 2.602 211 Y HA 0.503 5.054 4.550 0.001 0.000 0.330 211 Y C -1.120 174.786 175.900 0.010 0.000 1.114 211 Y CA -0.281 57.681 58.100 -0.230 0.000 1.182 211 Y CB 1.662 39.769 38.460 -0.587 0.000 1.305 211 Y HN 0.512 nan 8.280 nan 0.000 0.502 212 Y N 1.185 121.585 120.300 0.166 0.000 2.346 212 Y HA 0.366 4.916 4.550 0.001 0.000 0.332 212 Y C -1.301 174.694 175.900 0.158 0.000 0.985 212 Y CA -1.154 56.959 58.100 0.023 0.000 1.112 212 Y CB 0.615 38.943 38.460 -0.220 0.000 1.170 212 Y HN 0.697 nan 8.280 nan 0.000 0.447 213 H N 4.883 123.745 119.070 -0.346 0.000 2.519 213 H HA 0.572 5.128 4.556 0.001 0.000 0.316 213 H C -1.372 173.549 175.328 -0.678 0.000 1.065 213 H CA -0.534 55.308 56.048 -0.344 0.000 1.264 213 H CB 0.963 30.575 29.762 -0.250 0.000 1.413 213 H HN 0.508 nan 8.280 nan 0.000 0.465 214 V N 7.175 126.525 119.914 -0.940 0.000 2.455 214 V HA 0.025 4.146 4.120 0.001 0.000 0.273 214 V C 0.285 175.786 176.094 -0.988 0.000 1.045 214 V CA -0.676 61.174 62.300 -0.750 0.000 0.976 214 V CB 0.584 32.195 31.823 -0.353 0.000 0.993 214 V HN 0.667 nan 8.190 nan 0.000 0.475 215 L N 5.310 126.114 121.223 -0.698 0.000 2.525 215 L HA 0.490 4.831 4.340 0.001 0.000 0.278 215 L C 1.197 177.840 176.870 -0.379 0.000 1.218 215 L CA 1.924 56.426 54.840 -0.562 0.000 0.878 215 L CB 0.427 42.295 42.059 -0.317 0.000 1.127 215 L HN 0.972 nan 8.230 nan 0.000 0.492 216 G N 1.588 110.215 108.800 -0.287 0.000 2.157 216 G HA2 -0.230 3.730 3.960 0.001 0.000 0.239 216 G HA3 -0.230 3.730 3.960 0.001 0.000 0.239 216 G C 0.221 175.039 174.900 -0.136 0.000 0.982 216 G CA 0.340 45.344 45.100 -0.160 0.000 0.650 216 G HN 1.058 nan 8.290 nan 0.000 0.527 217 T N -2.237 112.210 114.554 -0.179 0.000 2.910 217 T HA 0.670 5.021 4.350 0.001 0.000 0.287 217 T C -0.820 173.900 174.700 0.032 0.000 1.050 217 T CA -0.485 61.557 62.100 -0.096 0.000 1.011 217 T CB 2.572 71.350 68.868 -0.150 0.000 1.195 217 T HN -0.046 nan 8.240 nan 0.000 0.540 218 D N 0.757 121.173 120.400 0.026 0.000 2.313 218 D HA 0.168 4.808 4.640 0.001 0.000 0.247 218 D C 1.154 177.493 176.300 0.065 0.000 1.094 218 D CA -0.359 53.660 54.000 0.032 0.000 0.925 218 D CB 1.512 42.312 40.800 -0.001 0.000 1.188 218 D HN 0.785 nan 8.370 nan 0.000 0.430 219 Q N 1.005 120.803 119.800 -0.003 0.000 2.234 219 Q HA -0.187 4.153 4.340 0.001 0.000 0.206 219 Q C 1.509 177.512 176.000 0.006 0.000 0.980 219 Q CA 1.559 57.345 55.803 -0.028 0.000 0.869 219 Q CB 0.103 28.757 28.738 -0.141 0.000 0.912 219 Q HN 0.523 nan 8.270 nan 0.000 0.436 220 S N -0.414 115.284 115.700 -0.003 0.000 2.469 220 S HA -0.152 4.319 4.470 0.001 0.000 0.238 220 S C 1.182 175.802 174.600 0.033 0.000 0.998 220 S CA 1.258 59.461 58.200 0.005 0.000 0.957 220 S CB -0.103 63.096 63.200 -0.002 0.000 0.764 220 S HN 0.473 nan 8.310 nan 0.000 0.514 221 E N 0.959 121.186 120.200 0.045 0.000 2.474 221 E HA 0.103 4.453 4.350 0.001 0.000 0.194 221 E C -0.549 176.103 176.600 0.088 0.000 1.041 221 E CA -0.178 56.253 56.400 0.051 0.000 0.874 221 E CB 0.026 29.739 29.700 0.021 0.000 0.914 221 E HN 0.520 nan 8.360 nan 0.000 0.498 222 D N 1.044 121.523 120.400 0.131 0.000 2.449 222 D HA -0.028 4.612 4.640 0.001 0.000 0.236 222 D C 0.084 176.537 176.300 0.254 0.000 1.149 222 D CA 0.408 54.534 54.000 0.210 0.000 0.878 222 D CB 0.668 41.633 40.800 0.275 0.000 1.198 222 D HN -0.064 nan 8.370 nan 0.000 0.446 223 I N 2.178 122.914 120.570 0.277 0.000 2.416 223 I HA 0.039 4.209 4.170 0.001 0.000 0.288 223 I C 0.344 176.613 176.117 0.253 0.000 1.051 223 I CA -0.753 60.690 61.300 0.238 0.000 1.375 223 I CB 0.363 38.488 38.000 0.208 0.000 1.407 223 I HN 0.218 nan 8.210 nan 0.000 0.516 224 L N 7.701 129.007 121.223 0.138 0.000 2.363 224 L HA 0.230 4.570 4.340 0.001 0.000 0.286 224 L C 0.602 177.423 176.870 -0.082 0.000 1.106 224 L CA 0.396 55.153 54.840 -0.139 0.000 0.859 224 L CB 0.512 42.501 42.059 -0.117 0.000 1.223 224 L HN 0.710 nan 8.230 nan 0.000 0.446 225 C N 3.189 122.450 119.300 -0.064 0.000 2.544 225 C HA 0.247 4.708 4.460 0.001 0.000 0.280 225 C C 0.843 175.860 174.990 0.046 0.000 1.295 225 C CA -0.206 58.863 59.018 0.086 0.000 1.702 225 C CB -0.103 27.805 27.740 0.280 0.000 2.090 225 C HN 0.590 nan 8.230 nan 0.000 0.493 226 V N 1.449 121.284 119.914 -0.132 0.000 2.760 226 V HA 0.484 4.604 4.120 0.001 0.000 0.309 226 V C -0.890 174.887 176.094 -0.528 0.000 1.077 226 V CA -0.384 61.737 62.300 -0.299 0.000 0.910 226 V CB 1.869 33.455 31.823 -0.395 0.000 1.008 226 V HN 0.624 nan 8.190 nan 0.000 0.424 227 E N 3.229 123.057 120.200 -0.620 0.000 2.390 227 E HA 0.662 5.012 4.350 0.001 0.000 0.277 227 E C -1.996 174.224 176.600 -0.634 0.000 0.939 227 E CA -0.832 55.230 56.400 -0.563 0.000 0.769 227 E CB 2.356 31.900 29.700 -0.260 0.000 1.251 227 E HN 0.338 nan 8.360 nan 0.000 0.450 228 F N 1.595 121.546 119.950 0.001 0.000 2.531 228 F HA 0.319 4.847 4.527 0.001 0.000 0.333 228 F C -1.798 173.976 175.800 -0.044 0.000 1.292 228 F CA -2.161 55.805 58.000 -0.056 0.000 1.184 228 F CB 1.370 40.308 39.000 -0.104 0.000 1.426 228 F HN 0.374 nan 8.300 nan 0.000 0.559 229 P HA -0.168 nan 4.420 nan 0.000 0.219 229 P C 0.534 177.909 177.300 0.125 0.000 1.146 229 P CA 1.509 64.712 63.100 0.171 0.000 0.808 229 P CB 0.497 32.232 31.700 0.059 0.000 0.779 230 D N -0.410 119.988 120.400 -0.005 0.000 2.339 230 D HA 0.025 4.666 4.640 0.001 0.000 0.217 230 D C 0.339 176.498 176.300 -0.235 0.000 1.050 230 D CA 0.700 54.647 54.000 -0.088 0.000 0.856 230 D CB 0.318 41.059 40.800 -0.098 0.000 0.922 230 D HN 0.245 nan 8.370 nan 0.000 0.518 231 E N 0.405 120.396 120.200 -0.348 0.000 3.132 231 E HA 0.169 4.520 4.350 0.001 0.000 0.241 231 E C -2.017 174.339 176.600 -0.406 0.000 1.196 231 E CA -1.563 54.464 56.400 -0.622 0.000 0.869 231 E CB 1.859 30.556 29.700 -1.672 0.000 1.387 231 E HN -0.034 nan 8.360 nan 0.000 0.393 232 P HA -0.136 nan 4.420 nan 0.000 0.218 232 P C 0.917 178.036 177.300 -0.302 0.000 1.146 232 P CA 1.220 63.965 63.100 -0.592 0.000 0.813 232 P CB 0.373 31.712 31.700 -0.602 0.000 0.778 233 K N -3.039 117.270 120.400 -0.151 0.000 2.393 233 K HA 0.007 4.328 4.320 0.001 0.000 0.193 233 K C 0.202 176.943 176.600 0.234 0.000 1.026 233 K CA -0.084 56.206 56.287 0.005 0.000 1.064 233 K CB 0.018 32.512 32.500 -0.010 0.000 0.833 233 K HN 0.138 nan 8.250 nan 0.000 0.521 234 W N 1.665 122.920 121.300 -0.074 0.000 2.158 234 W HA 0.203 4.863 4.660 0.001 0.000 0.339 234 W C 0.186 176.717 176.519 0.019 0.000 1.294 234 W CA -0.294 56.979 57.345 -0.119 0.000 1.231 234 W CB 0.057 29.258 29.460 -0.433 0.000 1.143 234 W HN -0.101 nan 8.180 nan 0.000 0.571 235 M N 2.851 122.560 119.600 0.181 0.000 2.204 235 M HA 0.413 4.893 4.480 0.001 0.000 0.293 235 M C 0.297 176.663 176.300 0.109 0.000 0.994 235 M CA -0.426 54.972 55.300 0.164 0.000 0.925 235 M CB 1.987 34.650 32.600 0.105 0.000 1.577 235 M HN 0.503 nan 8.290 nan 0.000 0.439 236 G N 1.661 110.569 108.800 0.180 0.000 2.437 236 G HA2 0.671 4.631 3.960 0.001 0.000 0.315 236 G HA3 0.671 4.631 3.960 0.001 0.000 0.315 236 G C -0.439 174.449 174.900 -0.020 0.000 1.210 236 G CA -0.527 44.607 45.100 0.056 0.000 0.943 236 G HN 0.823 nan 8.290 nan 0.000 0.471 237 G N 0.280 109.057 108.800 -0.039 0.000 2.388 237 G HA2 0.750 4.711 3.960 0.001 0.000 0.330 237 G HA3 0.750 4.711 3.960 0.001 0.000 0.330 237 G C -0.285 174.589 174.900 -0.044 0.000 1.142 237 G CA -0.104 44.992 45.100 -0.007 0.000 0.908 237 G HN 1.005 nan 8.290 nan 0.000 0.473 238 A N 1.653 124.446 122.820 -0.045 0.000 2.337 238 A HA 0.912 5.233 4.320 0.001 0.000 0.331 238 A C -0.144 177.456 177.584 0.027 0.000 1.137 238 A CA -0.703 51.267 52.037 -0.112 0.000 0.807 238 A CB 1.316 20.024 19.000 -0.487 0.000 1.250 238 A HN 0.918 nan 8.150 nan 0.000 0.468 239 E N 1.352 121.586 120.200 0.057 0.000 2.390 239 E HA 0.567 4.917 4.350 0.001 0.000 0.277 239 E C -1.809 174.877 176.600 0.145 0.000 0.939 239 E CA -0.903 55.588 56.400 0.152 0.000 0.769 239 E CB 1.118 30.914 29.700 0.160 0.000 1.251 239 E HN 0.354 nan 8.360 nan 0.000 0.450 240 L N 2.377 123.730 121.223 0.217 0.000 2.322 240 L HA 0.341 4.682 4.340 0.001 0.000 0.279 240 L C 0.627 177.544 176.870 0.078 0.000 1.036 240 L CA -0.418 54.521 54.840 0.165 0.000 0.807 240 L CB 1.452 43.637 42.059 0.211 0.000 1.226 240 L HN 0.895 nan 8.230 nan 0.000 0.433 241 S N 0.855 116.558 115.700 0.005 0.000 2.580 241 S HA 0.041 4.511 4.470 0.001 0.000 0.266 241 S C 0.757 175.448 174.600 0.152 0.000 1.354 241 S CA -0.586 57.595 58.200 -0.031 0.000 1.008 241 S CB 0.765 64.052 63.200 0.145 0.000 0.898 241 S HN 0.553 nan 8.310 nan 0.000 0.555 242 D N 1.294 121.876 120.400 0.304 0.000 2.221 242 D HA -0.110 4.530 4.640 0.001 0.000 0.204 242 D C 1.210 177.675 176.300 0.274 0.000 0.982 242 D CA 1.652 55.834 54.000 0.304 0.000 0.857 242 D CB -0.449 40.481 40.800 0.217 0.000 0.934 242 D HN 0.881 nan 8.370 nan 0.000 0.475 243 D N -1.196 119.296 120.400 0.153 0.000 2.340 243 D HA 0.121 4.762 4.640 0.001 0.000 0.220 243 D C 1.573 177.892 176.300 0.031 0.000 1.039 243 D CA 0.708 54.783 54.000 0.125 0.000 0.866 243 D CB -0.243 40.612 40.800 0.091 0.000 0.913 243 D HN 0.170 nan 8.370 nan 0.000 0.523 244 G N 1.114 109.747 108.800 -0.278 0.000 2.189 244 G HA2 -0.457 3.503 3.960 0.001 0.000 0.267 244 G HA3 -0.457 3.503 3.960 0.001 0.000 0.267 244 G C 1.144 175.920 174.900 -0.206 0.000 0.975 244 G CA 0.524 45.203 45.100 -0.701 0.000 0.644 244 G HN 0.535 nan 8.290 nan 0.000 0.537 245 R N -0.917 119.541 120.500 -0.070 0.000 2.161 245 R HA 0.249 4.590 4.340 0.001 0.000 0.213 245 R C 0.133 176.284 176.300 -0.247 0.000 1.055 245 R CA 0.700 56.701 56.100 -0.165 0.000 0.996 245 R CB 0.042 30.197 30.300 -0.243 0.000 0.901 245 R HN 0.417 nan 8.270 nan 0.000 0.456 246 Y N -0.493 119.860 120.300 0.088 0.000 2.409 246 Y HA 0.377 4.927 4.550 0.001 0.000 0.343 246 Y C -0.491 175.479 175.900 0.118 0.000 0.973 246 Y CA -1.160 57.029 58.100 0.148 0.000 1.064 246 Y CB 2.117 40.730 38.460 0.255 0.000 1.207 246 Y HN -0.342 nan 8.280 nan 0.000 0.452 247 V N 5.185 125.270 119.914 0.284 0.000 2.383 247 V HA 0.313 4.434 4.120 0.001 0.000 0.275 247 V C -0.209 176.093 176.094 0.347 0.000 1.036 247 V CA -0.710 61.726 62.300 0.228 0.000 0.889 247 V CB 0.814 32.718 31.823 0.135 0.000 0.985 247 V HN 0.561 nan 8.190 nan 0.000 0.459 248 L N 6.001 127.366 121.223 0.237 0.000 2.287 248 L HA 0.544 4.884 4.340 0.001 0.000 0.287 248 L C -0.585 176.374 176.870 0.149 0.000 1.022 248 L CA -0.561 54.423 54.840 0.240 0.000 0.814 248 L CB 1.547 43.691 42.059 0.141 0.000 1.217 248 L HN 0.463 nan 8.230 nan 0.000 0.420 249 L N 3.013 124.302 121.223 0.111 0.000 2.280 249 L HA 0.431 4.772 4.340 0.001 0.000 0.287 249 L C -0.212 176.546 176.870 -0.186 0.000 1.023 249 L CA 0.360 55.114 54.840 -0.144 0.000 0.819 249 L CB 1.540 43.286 42.059 -0.522 0.000 1.212 249 L HN 0.478 nan 8.230 nan 0.000 0.420 250 S N 6.332 121.952 115.700 -0.134 0.000 2.422 250 S HA 0.602 5.072 4.470 0.001 0.000 0.308 250 S C -0.203 174.273 174.600 -0.207 0.000 1.097 250 S CA -0.350 57.776 58.200 -0.124 0.000 1.099 250 S CB 0.475 63.674 63.200 -0.002 0.000 0.976 250 S HN 0.480 nan 8.310 nan 0.000 0.471 251 I N 4.081 124.451 120.570 -0.333 0.000 2.354 251 I HA 0.458 4.629 4.170 0.001 0.000 0.292 251 I C 0.348 176.344 176.117 -0.202 0.000 0.989 251 I CA -0.471 60.591 61.300 -0.397 0.000 1.188 251 I CB 1.080 38.576 38.000 -0.840 0.000 1.342 251 I HN 0.340 nan 8.210 nan 0.000 0.457 252 R N 4.575 124.967 120.500 -0.181 0.000 2.803 252 R HA 0.592 4.932 4.340 0.001 0.000 0.276 252 R C -0.880 175.217 176.300 -0.338 0.000 0.978 252 R CA -0.914 55.067 56.100 -0.199 0.000 0.939 252 R CB 2.700 32.930 30.300 -0.116 0.000 1.179 252 R HN 0.549 nan 8.270 nan 0.000 0.472 253 E N 1.077 120.944 120.200 -0.555 0.000 2.343 253 E HA 0.379 4.729 4.350 0.001 0.000 0.260 253 E C -0.605 175.817 176.600 -0.296 0.000 0.908 253 E CA -0.173 55.977 56.400 -0.416 0.000 0.814 253 E CB 1.220 30.549 29.700 -0.617 0.000 1.302 253 E HN 0.843 nan 8.360 nan 0.000 0.408 254 G N 1.722 110.462 108.800 -0.101 0.000 2.587 254 G HA2 -0.241 3.719 3.960 0.001 0.000 0.212 254 G HA3 -0.241 3.719 3.960 0.001 0.000 0.212 254 G C 0.292 175.187 174.900 -0.008 0.000 1.327 254 G CA -0.283 44.802 45.100 -0.025 0.000 0.898 254 G HN 0.592 nan 8.290 nan 0.000 0.551 255 C N 0.827 120.177 119.300 0.084 0.000 3.104 255 C HA 0.385 4.846 4.460 0.001 0.000 0.284 255 C C 0.595 175.650 174.990 0.109 0.000 1.326 255 C CA -0.496 58.603 59.018 0.134 0.000 1.725 255 C CB -1.070 26.881 27.740 0.351 0.000 2.156 255 C HN 0.608 nan 8.230 nan 0.000 0.638 256 D N 3.067 123.502 120.400 0.058 0.000 2.362 256 D HA 0.125 4.765 4.640 0.001 0.000 0.242 256 D C -1.984 174.345 176.300 0.049 0.000 1.132 256 D CA -0.942 53.106 54.000 0.081 0.000 0.907 256 D CB 0.602 41.428 40.800 0.043 0.000 1.195 256 D HN 0.160 nan 8.370 nan 0.000 0.429 257 P HA 0.053 nan 4.420 nan 0.000 0.237 257 P C -0.681 176.656 177.300 0.062 0.000 1.788 257 P CA -0.142 63.006 63.100 0.080 0.000 1.061 257 P CB -0.138 31.649 31.700 0.146 0.000 1.967 258 V N -0.026 119.914 119.914 0.042 0.000 3.087 258 V HA 0.783 4.903 4.120 0.001 0.000 0.306 258 V C -1.245 174.908 176.094 0.099 0.000 1.187 258 V CA -1.029 61.309 62.300 0.063 0.000 0.999 258 V CB 2.881 34.753 31.823 0.082 0.000 1.049 258 V HN 0.499 nan 8.190 nan 0.000 0.431 259 N N 0.993 119.793 118.700 0.167 0.000 2.745 259 N HA 0.395 5.136 4.740 0.001 0.000 0.256 259 N C -1.339 174.209 175.510 0.063 0.000 1.268 259 N CA -0.896 52.243 53.050 0.148 0.000 0.887 259 N CB 2.263 40.789 38.487 0.064 0.000 1.575 259 N HN 0.824 nan 8.380 nan 0.000 0.496 260 R N 0.116 120.507 120.500 -0.182 0.000 2.560 260 R HA 0.466 4.806 4.340 0.001 0.000 0.270 260 R C -0.620 175.524 176.300 -0.259 0.000 1.074 260 R CA -0.708 55.178 56.100 -0.356 0.000 1.140 260 R CB 0.721 30.594 30.300 -0.712 0.000 1.073 260 R HN 0.467 nan 8.270 nan 0.000 0.527 261 L N 2.879 124.002 121.223 -0.167 0.000 2.446 261 L HA 0.389 4.730 4.340 0.001 0.000 0.268 261 L C -1.861 175.105 176.870 0.160 0.000 0.975 261 L CA -0.341 54.451 54.840 -0.080 0.000 0.848 261 L CB 1.302 43.273 42.059 -0.148 0.000 1.225 261 L HN 0.653 nan 8.230 nan 0.000 0.410 262 W N 4.882 126.111 121.300 -0.119 0.000 2.706 262 W HA 0.606 5.267 4.660 0.001 0.000 0.346 262 W C -0.342 176.272 176.519 0.158 0.000 1.071 262 W CA -0.984 56.315 57.345 -0.077 0.000 1.206 262 W CB 1.139 30.492 29.460 -0.179 0.000 1.413 262 W HN 0.463 nan 8.180 nan 0.000 0.542 263 Y N -0.580 119.944 120.300 0.375 0.000 2.553 263 Y HA 0.680 5.231 4.550 0.001 0.000 0.347 263 Y C -1.065 175.033 175.900 0.331 0.000 1.019 263 Y CA -2.068 56.238 58.100 0.342 0.000 1.032 263 Y CB 1.354 39.817 38.460 0.006 0.000 1.284 263 Y HN 0.471 nan 8.280 nan 0.000 0.466 264 C N 3.812 123.339 119.300 0.379 0.000 2.322 264 C HA 0.426 4.886 4.460 0.001 0.000 0.324 264 C C -0.745 174.348 174.990 0.172 0.000 1.249 264 C CA -0.564 58.418 59.018 -0.060 0.000 1.453 264 C CB -0.346 26.978 27.740 -0.693 0.000 2.145 264 C HN 0.902 nan 8.230 nan 0.000 0.466 265 D N 4.729 125.246 120.400 0.194 0.000 2.374 265 D HA 0.139 4.780 4.640 0.001 0.000 0.240 265 D C 1.146 177.365 176.300 -0.135 0.000 1.229 265 D CA -0.001 53.989 54.000 -0.018 0.000 0.895 265 D CB 0.592 41.459 40.800 0.111 0.000 1.046 265 D HN 0.712 nan 8.370 nan 0.000 0.498 266 L N 2.727 123.841 121.223 -0.181 0.000 2.265 266 L HA -0.139 4.201 4.340 0.001 0.000 0.215 266 L C 2.336 179.135 176.870 -0.117 0.000 1.117 266 L CA 0.618 55.379 54.840 -0.132 0.000 0.782 266 L CB -0.262 41.741 42.059 -0.093 0.000 0.914 266 L HN 0.489 nan 8.230 nan 0.000 0.441 267 Q N 0.265 119.978 119.800 -0.146 0.000 2.226 267 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 267 Q C 1.611 177.574 176.000 -0.063 0.000 0.975 267 Q CA 1.239 56.986 55.803 -0.093 0.000 0.866 267 Q CB 0.167 28.846 28.738 -0.098 0.000 0.915 267 Q HN 0.530 nan 8.270 nan 0.000 0.440 268 Q N 0.322 120.082 119.800 -0.067 0.000 2.280 268 Q HA 0.109 4.449 4.340 0.001 0.000 0.201 268 Q C -0.353 175.608 176.000 -0.065 0.000 0.890 268 Q CA 0.202 55.977 55.803 -0.047 0.000 0.947 268 Q CB 0.738 29.461 28.738 -0.025 0.000 1.081 268 Q HN 0.253 nan 8.270 nan 0.000 0.502 269 E N -0.296 119.856 120.200 -0.078 0.000 2.214 269 E HA 0.287 4.638 4.350 0.001 0.000 0.274 269 E C 0.138 176.701 176.600 -0.061 0.000 0.977 269 E CA -0.340 56.009 56.400 -0.086 0.000 0.827 269 E CB 1.821 31.455 29.700 -0.111 0.000 1.130 269 E HN -0.156 nan 8.360 nan 0.000 0.394 270 S N 1.037 116.704 115.700 -0.055 0.000 2.578 270 S HA 0.123 4.593 4.470 0.001 0.000 0.228 270 S C 0.572 175.150 174.600 -0.036 0.000 1.022 270 S CA -0.301 57.876 58.200 -0.039 0.000 0.967 270 S CB 0.346 63.527 63.200 -0.032 0.000 0.914 270 S HN 0.363 nan 8.310 nan 0.000 0.515 271 N N 1.771 120.444 118.700 -0.045 0.000 2.365 271 N HA 0.302 5.043 4.740 0.001 0.000 0.257 271 N C 0.761 176.243 175.510 -0.048 0.000 1.287 271 N CA 0.433 53.459 53.050 -0.039 0.000 0.882 271 N CB 1.300 39.766 38.487 -0.035 0.000 1.250 271 N HN 0.383 nan 8.380 nan 0.000 0.507 272 G N 1.559 110.324 108.800 -0.059 0.000 2.601 272 G HA2 -0.291 3.669 3.960 0.001 0.000 0.261 272 G HA3 -0.291 3.669 3.960 0.001 0.000 0.261 272 G C -0.275 174.549 174.900 -0.127 0.000 1.289 272 G CA -0.544 44.507 45.100 -0.081 0.000 0.920 272 G HN 0.178 nan 8.290 nan 0.000 0.571 273 I N 2.650 123.094 120.570 -0.210 0.000 2.452 273 I HA 0.445 4.615 4.170 0.001 0.000 0.287 273 I C 1.350 177.388 176.117 -0.131 0.000 1.079 273 I CA 0.935 62.068 61.300 -0.279 0.000 1.387 273 I CB -0.459 37.057 38.000 -0.807 0.000 1.404 273 I HN 1.042 nan 8.210 nan 0.000 0.522 274 T N 1.364 115.879 114.554 -0.066 0.000 2.716 274 T HA 0.569 4.919 4.350 0.001 0.000 0.286 274 T C 0.778 175.497 174.700 0.032 0.000 1.052 274 T CA -0.260 61.834 62.100 -0.010 0.000 1.024 274 T CB 1.501 70.355 68.868 -0.023 0.000 1.349 274 T HN 0.523 nan 8.240 nan 0.000 0.525 275 G N -0.116 108.707 108.800 0.039 0.000 2.985 275 G HA2 0.310 4.271 3.960 0.001 0.000 0.209 275 G HA3 0.310 4.271 3.960 0.001 0.000 0.209 275 G C 0.898 175.838 174.900 0.068 0.000 1.165 275 G CA 0.121 45.256 45.100 0.058 0.000 0.776 275 G HN 0.998 nan 8.290 nan 0.000 0.541 276 I N -1.908 118.681 120.570 0.032 0.000 3.326 276 I HA 0.476 4.646 4.170 0.001 0.000 0.336 276 I C -0.190 175.894 176.117 -0.056 0.000 1.543 276 I CA -0.810 60.502 61.300 0.019 0.000 1.013 276 I CB 0.273 38.273 38.000 0.001 0.000 1.468 276 I HN -0.265 nan 8.210 nan 0.000 0.515 277 L N 1.743 122.889 121.223 -0.129 0.000 2.506 277 L HA 0.141 4.482 4.340 0.001 0.000 0.281 277 L C 0.746 177.337 176.870 -0.465 0.000 1.228 277 L CA 0.214 54.817 54.840 -0.396 0.000 0.850 277 L CB 0.344 41.958 42.059 -0.743 0.000 1.110 277 L HN 0.362 nan 8.230 nan 0.000 0.496 278 K N 3.249 123.406 120.400 -0.405 0.000 2.278 278 K HA 0.066 4.387 4.320 0.001 0.000 0.237 278 K C -0.945 175.462 176.600 -0.322 0.000 1.229 278 K CA -0.139 55.980 56.287 -0.279 0.000 1.155 278 K CB -0.171 32.215 32.500 -0.189 0.000 1.590 278 K HN 0.325 nan 8.250 nan 0.000 0.290 279 W N 1.274 122.486 121.300 -0.146 0.000 2.264 279 W HA 0.028 4.688 4.660 0.001 0.000 0.331 279 W C 0.310 176.565 176.519 -0.440 0.000 1.364 279 W CA -0.675 56.535 57.345 -0.225 0.000 1.253 279 W CB 0.416 29.796 29.460 -0.134 0.000 1.215 279 W HN 0.013 nan 8.180 nan 0.000 0.561 280 V N 4.823 124.501 119.914 -0.393 0.000 2.350 280 V HA 0.141 4.262 4.120 0.001 0.000 0.276 280 V C 0.249 175.982 176.094 -0.601 0.000 1.028 280 V CA -1.342 60.568 62.300 -0.651 0.000 0.860 280 V CB 0.969 32.088 31.823 -1.174 0.000 0.990 280 V HN 0.403 nan 8.190 nan 0.000 0.453 281 K N 4.834 124.883 120.400 -0.584 0.000 2.278 281 K HA 0.125 4.446 4.320 0.001 0.000 0.237 281 K C 0.999 177.437 176.600 -0.270 0.000 1.229 281 K CA -0.271 55.637 56.287 -0.630 0.000 1.155 281 K CB 0.331 32.309 32.500 -0.870 0.000 1.590 281 K HN 0.511 nan 8.250 nan 0.000 0.290 282 L N 1.684 122.795 121.223 -0.186 0.000 1.971 282 L HA -0.147 4.194 4.340 0.001 0.000 0.215 282 L C 0.555 177.365 176.870 -0.100 0.000 1.072 282 L CA 1.887 56.654 54.840 -0.122 0.000 0.758 282 L CB 0.152 42.139 42.059 -0.120 0.000 0.889 282 L HN 0.402 nan 8.230 nan 0.000 0.433 283 I N 0.540 121.044 120.570 -0.112 0.000 2.390 283 I HA 0.196 4.367 4.170 0.001 0.000 0.283 283 I C -0.611 175.474 176.117 -0.054 0.000 1.016 283 I CA -0.243 60.960 61.300 -0.163 0.000 1.151 283 I CB 0.702 38.445 38.000 -0.429 0.000 1.293 283 I HN 0.106 nan 8.210 nan 0.000 0.458 284 D N 5.605 125.978 120.400 -0.045 0.000 3.123 284 D HA 0.230 4.870 4.640 0.001 0.000 0.305 284 D C -0.305 175.907 176.300 -0.146 0.000 1.373 284 D CA -0.058 53.934 54.000 -0.013 0.000 0.889 284 D CB 0.215 41.015 40.800 0.000 0.000 1.070 284 D HN 0.697 nan 8.370 nan 0.000 0.494 285 N N -2.155 116.390 118.700 -0.259 0.000 3.020 285 N HA 0.276 5.016 4.740 0.001 0.000 0.248 285 N C -1.132 174.149 175.510 -0.382 0.000 1.480 285 N CA -0.767 52.099 53.050 -0.307 0.000 0.874 285 N CB 0.232 38.667 38.487 -0.087 0.000 1.433 285 N HN -0.217 nan 8.380 nan 0.000 0.530 286 F N -0.161 119.754 119.950 -0.058 0.000 2.925 286 F HA 0.423 4.951 4.527 0.001 0.000 0.302 286 F C 1.052 176.840 175.800 -0.019 0.000 1.189 286 F CA -0.484 57.473 58.000 -0.072 0.000 1.346 286 F CB 0.043 38.976 39.000 -0.112 0.000 0.954 286 F HN 0.600 nan 8.300 nan 0.000 0.506 287 E N 0.098 120.384 120.200 0.144 0.000 2.299 287 E HA 0.202 4.553 4.350 0.001 0.000 0.193 287 E C 1.335 177.966 176.600 0.053 0.000 0.998 287 E CA 0.415 56.868 56.400 0.089 0.000 0.851 287 E CB 0.322 30.059 29.700 0.063 0.000 0.795 287 E HN 0.415 nan 8.360 nan 0.000 0.492 288 G N 0.395 109.256 108.800 0.102 0.000 2.649 288 G HA2 0.283 4.243 3.960 0.001 0.000 0.290 288 G HA3 0.283 4.243 3.960 0.001 0.000 0.290 288 G C -1.778 173.035 174.900 -0.145 0.000 1.426 288 G CA -0.730 44.329 45.100 -0.068 0.000 0.794 288 G HN -0.020 nan 8.290 nan 0.000 0.483 289 E N -0.699 119.305 120.200 -0.327 0.000 2.231 289 E HA 0.583 4.933 4.350 0.001 0.000 0.277 289 E C -1.474 174.765 176.600 -0.601 0.000 0.999 289 E CA -0.684 55.580 56.400 -0.227 0.000 0.827 289 E CB 1.115 30.810 29.700 -0.009 0.000 1.101 289 E HN 0.389 nan 8.360 nan 0.000 0.393 290 Y N 2.517 122.823 120.300 0.011 0.000 2.402 290 Y HA 0.206 4.757 4.550 0.001 0.000 0.325 290 Y C -0.650 175.359 175.900 0.182 0.000 1.009 290 Y CA -1.060 57.009 58.100 -0.051 0.000 1.278 290 Y CB 1.354 39.543 38.460 -0.451 0.000 1.105 290 Y HN 0.401 nan 8.280 nan 0.000 0.476 291 D N 2.588 123.224 120.400 0.393 0.000 2.329 291 D HA 0.070 4.710 4.640 0.001 0.000 0.232 291 D C -0.852 175.754 176.300 0.510 0.000 1.088 291 D CA -0.590 53.641 54.000 0.384 0.000 0.835 291 D CB 0.577 41.504 40.800 0.212 0.000 1.078 291 D HN 0.449 nan 8.370 nan 0.000 0.495 292 Y N 3.816 124.353 120.300 0.395 0.000 2.620 292 Y HA 0.073 4.623 4.550 0.001 0.000 0.330 292 Y C 0.450 176.368 175.900 0.030 0.000 1.186 292 Y CA 0.337 58.516 58.100 0.132 0.000 1.467 292 Y CB 0.715 39.283 38.460 0.181 0.000 1.262 292 Y HN 0.228 nan 8.280 nan 0.000 0.550 293 V N 3.753 123.220 119.914 -0.744 0.000 2.721 293 V HA 0.187 4.308 4.120 0.001 0.000 0.236 293 V C 0.547 176.062 176.094 -0.964 0.000 1.116 293 V CA 1.194 63.132 62.300 -0.604 0.000 1.148 293 V CB 0.378 32.011 31.823 -0.318 0.000 0.886 293 V HN 0.846 nan 8.190 nan 0.000 0.490 294 T N 0.230 114.074 114.554 -1.182 0.000 2.686 294 T HA 0.349 4.699 4.350 0.001 0.000 0.308 294 T C -2.315 171.973 174.700 -0.688 0.000 1.667 294 T CA -0.490 61.094 62.100 -0.860 0.000 0.987 294 T CB 1.612 70.251 68.868 -0.382 0.000 1.652 294 T HN 0.541 nan 8.240 nan 0.000 0.496 295 N N 1.147 119.541 118.700 -0.510 0.000 2.416 295 N HA 0.455 5.196 4.740 0.001 0.000 0.276 295 N C -1.823 173.420 175.510 -0.446 0.000 1.261 295 N CA -0.716 51.869 53.050 -0.774 0.000 0.790 295 N CB 2.246 39.653 38.487 -1.800 0.000 1.554 295 N HN 0.484 nan 8.380 nan 0.000 0.481 296 E N 0.561 120.530 120.200 -0.385 0.000 2.325 296 E HA 0.402 4.752 4.350 0.001 0.000 0.248 296 E C 0.700 177.196 176.600 -0.174 0.000 0.912 296 E CA -0.150 56.127 56.400 -0.204 0.000 0.782 296 E CB 1.009 30.625 29.700 -0.140 0.000 1.264 296 E HN 0.988 nan 8.360 nan 0.000 0.417 297 G N 3.061 111.794 108.800 -0.112 0.000 2.583 297 G HA2 -0.409 3.552 3.960 0.001 0.000 0.292 297 G HA3 -0.409 3.552 3.960 0.001 0.000 0.292 297 G C 0.939 175.809 174.900 -0.050 0.000 1.203 297 G CA 0.686 45.775 45.100 -0.019 0.000 0.987 297 G HN 0.555 nan 8.290 nan 0.000 0.554 298 T N -1.425 113.129 114.554 -0.001 0.000 3.148 298 T HA 0.421 4.771 4.350 0.001 0.000 0.253 298 T C 0.842 175.468 174.700 -0.124 0.000 1.134 298 T CA 1.016 63.098 62.100 -0.031 0.000 1.051 298 T CB 0.129 69.058 68.868 0.100 0.000 0.959 298 T HN 1.046 nan 8.240 nan 0.000 0.525 299 V N 2.650 122.474 119.914 -0.149 0.000 2.353 299 V HA 0.419 4.539 4.120 0.001 0.000 0.264 299 V C -0.639 175.277 176.094 -0.298 0.000 1.049 299 V CA -0.882 61.339 62.300 -0.131 0.000 0.896 299 V CB -0.457 31.316 31.823 -0.084 0.000 1.025 299 V HN 0.324 nan 8.190 nan 0.000 0.475 300 F N 2.486 122.176 119.950 -0.432 0.000 2.415 300 F HA 0.459 4.986 4.527 0.001 0.000 0.348 300 F C 0.923 176.468 175.800 -0.426 0.000 1.119 300 F CA -0.353 57.347 58.000 -0.500 0.000 1.069 300 F CB 1.779 40.394 39.000 -0.642 0.000 1.124 300 F HN 0.319 nan 8.300 nan 0.000 0.472 301 T N 5.028 119.330 114.554 -0.419 0.000 2.744 301 T HA 0.521 4.871 4.350 0.001 0.000 0.291 301 T C -0.823 173.617 174.700 -0.433 0.000 0.957 301 T CA -0.171 61.749 62.100 -0.299 0.000 1.002 301 T CB 0.053 68.763 68.868 -0.262 0.000 0.919 301 T HN 0.162 nan 8.240 nan 0.000 0.468 302 F N 1.759 121.723 119.950 0.024 0.000 2.551 302 F HA 0.496 5.024 4.527 0.001 0.000 0.316 302 F C 0.376 176.200 175.800 0.040 0.000 1.089 302 F CA -1.269 56.774 58.000 0.072 0.000 0.915 302 F CB 1.879 40.974 39.000 0.158 0.000 1.186 302 F HN 0.292 nan 8.300 nan 0.000 0.456 303 K N 1.462 122.006 120.400 0.240 0.000 2.234 303 K HA 0.558 4.879 4.320 0.001 0.000 0.282 303 K C -0.710 175.992 176.600 0.170 0.000 1.039 303 K CA -0.011 56.369 56.287 0.155 0.000 0.928 303 K CB 1.210 33.767 32.500 0.094 0.000 1.039 303 K HN 0.764 nan 8.250 nan 0.000 0.470 304 T N 1.757 116.386 114.554 0.125 0.000 2.883 304 T HA 0.260 4.611 4.350 0.001 0.000 0.301 304 T C -0.481 174.171 174.700 -0.080 0.000 1.158 304 T CA -0.845 61.219 62.100 -0.059 0.000 1.007 304 T CB 0.834 69.585 68.868 -0.194 0.000 1.186 304 T HN 0.797 nan 8.240 nan 0.000 0.499 305 N N 1.167 119.689 118.700 -0.295 0.000 2.187 305 N HA 0.153 4.893 4.740 0.001 0.000 0.212 305 N C 0.201 175.533 175.510 -0.296 0.000 1.152 305 N CA -0.504 52.243 53.050 -0.505 0.000 0.872 305 N CB -0.045 37.928 38.487 -0.856 0.000 1.025 305 N HN 0.310 nan 8.380 nan 0.000 0.514 306 R N 1.644 122.008 120.500 -0.226 0.000 2.446 306 R HA -0.006 4.334 4.340 0.001 0.000 0.325 306 R C -0.248 176.032 176.300 -0.032 0.000 0.997 306 R CA 0.407 56.421 56.100 -0.142 0.000 1.010 306 R CB -1.255 29.078 30.300 0.056 0.000 0.946 306 R HN 0.274 nan 8.270 nan 0.000 0.422 307 H N 1.049 120.115 119.070 -0.006 0.000 2.921 307 H HA -0.178 4.379 4.556 0.001 0.000 0.281 307 H C -0.912 174.407 175.328 -0.015 0.000 1.165 307 H CA 1.421 57.468 56.048 -0.001 0.000 1.151 307 H CB -1.715 28.063 29.762 0.026 0.000 1.311 307 H HN 0.621 nan 8.280 nan 0.000 0.361 308 S N -1.238 114.465 115.700 0.004 0.000 2.356 308 S HA 0.291 4.761 4.470 0.001 0.000 0.171 308 S C -1.654 172.848 174.600 -0.164 0.000 1.399 308 S CA -0.803 57.379 58.200 -0.030 0.000 1.225 308 S CB 2.827 66.027 63.200 0.001 0.000 1.271 308 S HN -0.104 nan 8.310 nan 0.000 0.427 309 P HA -0.064 nan 4.420 nan 0.000 0.222 309 P C 0.369 177.611 177.300 -0.097 0.000 1.147 309 P CA 0.993 64.009 63.100 -0.141 0.000 0.790 309 P CB -0.002 31.691 31.700 -0.013 0.000 0.780 310 N N -1.627 117.090 118.700 0.028 0.000 2.336 310 N HA 0.038 4.778 4.740 0.001 0.000 0.189 310 N C -0.269 175.455 175.510 0.358 0.000 1.113 310 N CA -0.016 53.164 53.050 0.217 0.000 0.858 310 N CB -0.432 38.187 38.487 0.221 0.000 0.970 310 N HN 0.130 nan 8.380 nan 0.000 0.471 311 Y N -0.290 120.046 120.300 0.061 0.000 2.517 311 Y HA -0.318 4.233 4.550 0.001 0.000 0.021 311 Y C 0.581 176.510 175.900 0.049 0.000 1.713 311 Y CA -0.110 58.008 58.100 0.030 0.000 1.412 311 Y CB -0.505 37.948 38.460 -0.011 0.000 2.058 311 Y HN 0.210 nan 8.280 nan 0.000 0.255 312 R N 0.613 121.219 120.500 0.177 0.000 2.747 312 R HA 0.910 5.251 4.340 0.001 0.000 0.272 312 R C -2.205 174.156 176.300 0.102 0.000 1.032 312 R CA -1.344 54.833 56.100 0.128 0.000 0.896 312 R CB 1.565 31.937 30.300 0.120 0.000 1.253 312 R HN 0.515 nan 8.270 nan 0.000 0.461 313 L N 2.344 123.613 121.223 0.077 0.000 2.313 313 L HA 0.619 4.960 4.340 0.001 0.000 0.283 313 L C -0.179 176.749 176.870 0.097 0.000 1.013 313 L CA -0.965 53.915 54.840 0.066 0.000 0.816 313 L CB 1.661 43.722 42.059 0.004 0.000 1.236 313 L HN 0.585 nan 8.230 nan 0.000 0.419 314 I N 0.134 120.781 120.570 0.128 0.000 2.892 314 I HA 0.538 4.708 4.170 0.001 0.000 0.306 314 I C -0.999 175.190 176.117 0.120 0.000 1.078 314 I CA -0.762 60.627 61.300 0.147 0.000 1.032 314 I CB 2.362 40.476 38.000 0.190 0.000 1.229 314 I HN 0.502 nan 8.210 nan 0.000 0.435 315 N N 4.195 122.959 118.700 0.107 0.000 2.407 315 N HA 0.595 5.335 4.740 0.001 0.000 0.277 315 N C -1.302 174.248 175.510 0.066 0.000 0.995 315 N CA -0.611 52.483 53.050 0.073 0.000 0.903 315 N CB 2.252 40.773 38.487 0.056 0.000 1.218 315 N HN 0.459 nan 8.380 nan 0.000 0.487 316 I N 1.241 121.842 120.570 0.052 0.000 2.362 316 I HA 0.163 4.333 4.170 0.001 0.000 0.289 316 I C -0.549 175.662 176.117 0.155 0.000 0.994 316 I CA -0.669 60.628 61.300 -0.005 0.000 1.158 316 I CB 1.471 39.367 38.000 -0.173 0.000 1.315 316 I HN 0.401 nan 8.210 nan 0.000 0.451 317 D N 6.100 126.622 120.400 0.203 0.000 2.313 317 D HA 0.147 4.787 4.640 0.001 0.000 0.239 317 D C 0.827 177.317 176.300 0.317 0.000 1.142 317 D CA -0.259 53.851 54.000 0.184 0.000 0.847 317 D CB 0.854 41.750 40.800 0.160 0.000 1.082 317 D HN 0.234 nan 8.370 nan 0.000 0.480 318 F N 1.554 121.530 119.950 0.043 0.000 2.307 318 F HA -0.142 4.385 4.527 0.001 0.000 0.301 318 F C 2.538 178.396 175.800 0.097 0.000 1.076 318 F CA 1.188 59.186 58.000 -0.002 0.000 1.383 318 F CB -1.276 37.586 39.000 -0.231 0.000 1.055 318 F HN 0.439 nan 8.300 nan 0.000 0.526 319 T N -3.907 110.817 114.554 0.283 0.000 3.100 319 T HA 0.007 4.357 4.350 0.001 0.000 0.253 319 T C 0.395 175.199 174.700 0.173 0.000 1.118 319 T CA 0.626 62.849 62.100 0.205 0.000 1.058 319 T CB 0.011 68.976 68.868 0.162 0.000 0.953 319 T HN 0.030 nan 8.240 nan 0.000 0.515 320 D N 1.415 121.933 120.400 0.197 0.000 2.978 320 D HA 0.264 4.905 4.640 0.001 0.000 0.268 320 D C -2.038 174.407 176.300 0.242 0.000 1.252 320 D CA -1.660 52.446 54.000 0.177 0.000 0.771 320 D CB 1.326 42.218 40.800 0.153 0.000 1.361 320 D HN 0.039 nan 8.370 nan 0.000 0.558 321 P HA -0.042 nan 4.420 nan 0.000 0.233 321 P C 0.432 177.960 177.300 0.380 0.000 1.167 321 P CA 0.133 63.441 63.100 0.347 0.000 0.770 321 P CB 0.390 32.240 31.700 0.251 0.000 0.837 322 E N 1.232 121.536 120.200 0.174 0.000 2.452 322 E HA -0.120 4.231 4.350 0.001 0.000 0.261 322 E C 1.073 177.523 176.600 -0.250 0.000 0.987 322 E CA 0.013 56.414 56.400 0.001 0.000 0.926 322 E CB 0.436 30.125 29.700 -0.018 0.000 0.934 322 E HN 0.104 nan 8.360 nan 0.000 0.452 323 E N 2.313 122.137 120.200 -0.627 0.000 2.130 323 E HA -0.255 4.096 4.350 0.001 0.000 0.196 323 E C 1.651 177.759 176.600 -0.821 0.000 0.998 323 E CA 1.730 57.251 56.400 -1.465 0.000 0.806 323 E CB 0.010 29.003 29.700 -1.178 0.000 0.738 323 E HN 0.641 nan 8.360 nan 0.000 0.459 324 S N -0.035 115.439 115.700 -0.377 0.000 2.442 324 S HA -0.098 4.372 4.470 0.001 0.000 0.236 324 S C 1.566 176.124 174.600 -0.070 0.000 1.007 324 S CA 0.748 58.842 58.200 -0.177 0.000 0.965 324 S CB -0.030 63.107 63.200 -0.106 0.000 0.773 324 S HN 0.108 nan 8.310 nan 0.000 0.504 325 K N -0.074 120.303 120.400 -0.038 0.000 2.379 325 K HA 0.172 4.493 4.320 0.001 0.000 0.194 325 K C -0.058 176.712 176.600 0.283 0.000 1.031 325 K CA -0.212 56.145 56.287 0.117 0.000 1.037 325 K CB -0.267 32.320 32.500 0.145 0.000 0.824 325 K HN 0.456 nan 8.250 nan 0.000 0.516 326 W N 2.696 124.054 121.300 0.096 0.000 2.209 326 W HA 0.032 4.693 4.660 0.001 0.000 0.344 326 W C 0.718 177.299 176.519 0.104 0.000 1.285 326 W CA -0.490 56.926 57.345 0.120 0.000 1.267 326 W CB 0.087 29.633 29.460 0.143 0.000 1.167 326 W HN -0.274 nan 8.180 nan 0.000 0.574 327 K N 1.905 122.501 120.400 0.328 0.000 2.221 327 K HA 0.430 4.750 4.320 0.001 0.000 0.258 327 K C -0.857 175.858 176.600 0.191 0.000 0.944 327 K CA -1.138 55.275 56.287 0.209 0.000 0.823 327 K CB 2.070 34.658 32.500 0.147 0.000 1.113 327 K HN 0.096 nan 8.250 nan 0.000 0.431 328 V N 4.768 124.779 119.914 0.160 0.000 2.408 328 V HA 0.033 4.153 4.120 0.001 0.000 0.267 328 V C 1.337 177.493 176.094 0.103 0.000 1.047 328 V CA -0.196 62.188 62.300 0.139 0.000 0.937 328 V CB 0.876 32.775 31.823 0.127 0.000 0.999 328 V HN 0.633 nan 8.190 nan 0.000 0.472 329 L N 6.475 127.752 121.223 0.089 0.000 2.145 329 L HA 0.296 4.636 4.340 0.001 0.000 0.201 329 L C 0.642 177.551 176.870 0.063 0.000 1.075 329 L CA 1.683 56.562 54.840 0.066 0.000 0.773 329 L CB 0.562 42.646 42.059 0.042 0.000 0.936 329 L HN 0.444 nan 8.230 nan 0.000 0.451 330 V N 1.319 121.268 119.914 0.057 0.000 2.419 330 V HA 0.393 4.514 4.120 0.001 0.000 0.287 330 V C -2.335 173.810 176.094 0.085 0.000 1.017 330 V CA -1.500 60.834 62.300 0.057 0.000 0.844 330 V CB 1.176 32.987 31.823 -0.020 0.000 1.011 330 V HN 0.078 nan 8.190 nan 0.000 0.429 331 P HA 0.080 nan 4.420 nan 0.000 0.270 331 P C -0.013 177.360 177.300 0.122 0.000 1.223 331 P CA -0.143 63.014 63.100 0.094 0.000 0.785 331 P CB 0.636 32.377 31.700 0.068 0.000 0.923 332 E N 1.548 121.818 120.200 0.117 0.000 2.414 332 E HA -0.079 4.271 4.350 0.001 0.000 0.263 332 E C -0.150 176.535 176.600 0.140 0.000 1.000 332 E CA -0.046 56.442 56.400 0.147 0.000 0.914 332 E CB 0.264 30.028 29.700 0.107 0.000 0.948 332 E HN 0.451 nan 8.360 nan 0.000 0.444 333 H N 3.450 122.589 119.070 0.116 0.000 2.562 333 H HA -0.007 4.550 4.556 0.001 0.000 0.352 333 H C 0.711 176.071 175.328 0.054 0.000 1.125 333 H CA 0.301 56.380 56.048 0.051 0.000 1.379 333 H CB 1.502 31.265 29.762 0.002 0.000 1.464 333 H HN 0.820 nan 8.280 nan 0.000 0.563 334 E N 2.646 122.685 120.200 -0.268 0.000 2.153 334 E HA -0.178 4.173 4.350 0.001 0.000 0.194 334 E C 1.102 177.765 176.600 0.105 0.000 0.988 334 E CA 1.761 58.114 56.400 -0.080 0.000 0.811 334 E CB 0.290 29.886 29.700 -0.174 0.000 0.746 334 E HN 0.733 nan 8.360 nan 0.000 0.466 335 K N -1.364 119.239 120.400 0.339 0.000 2.567 335 K HA 0.133 4.454 4.320 0.001 0.000 0.199 335 K C -0.105 176.672 176.600 0.294 0.000 1.412 335 K CA -0.257 56.203 56.287 0.287 0.000 1.020 335 K CB 0.186 32.819 32.500 0.222 0.000 1.487 335 K HN -0.163 nan 8.250 nan 0.000 0.531 336 D N 2.600 123.169 120.400 0.282 0.000 2.390 336 D HA 0.135 4.775 4.640 0.001 0.000 0.249 336 D C -0.467 175.972 176.300 0.232 0.000 1.144 336 D CA -0.163 53.879 54.000 0.070 0.000 0.880 336 D CB 1.778 42.348 40.800 -0.383 0.000 1.182 336 D HN -0.076 nan 8.370 nan 0.000 0.451 337 V N 3.099 123.125 119.914 0.187 0.000 2.461 337 V HA 0.054 4.174 4.120 0.001 0.000 0.275 337 V C 0.276 176.432 176.094 0.102 0.000 1.047 337 V CA -0.803 61.604 62.300 0.179 0.000 0.955 337 V CB 1.282 33.147 31.823 0.071 0.000 0.988 337 V HN 0.332 nan 8.190 nan 0.000 0.471 338 L N 5.574 126.805 121.223 0.012 0.000 2.342 338 L HA 0.288 4.628 4.340 0.001 0.000 0.285 338 L C 1.214 177.835 176.870 -0.414 0.000 1.095 338 L CA 0.716 55.283 54.840 -0.456 0.000 0.843 338 L CB 0.112 41.946 42.059 -0.375 0.000 1.201 338 L HN 0.710 nan 8.230 nan 0.000 0.445 339 E N 5.400 125.330 120.200 -0.449 0.000 2.046 339 E HA -0.018 4.333 4.350 0.001 0.000 0.190 339 E C -0.515 175.981 176.600 -0.173 0.000 0.982 339 E CA 1.329 57.540 56.400 -0.314 0.000 0.800 339 E CB 0.153 29.726 29.700 -0.213 0.000 0.756 339 E HN 0.751 nan 8.360 nan 0.000 0.449 340 W N -1.389 119.732 121.300 -0.299 0.000 3.059 340 W HA 0.567 5.228 4.660 0.001 0.000 0.329 340 W C -1.689 174.664 176.519 -0.276 0.000 1.246 340 W CA -0.812 56.383 57.345 -0.250 0.000 1.190 340 W CB 0.673 30.019 29.460 -0.191 0.000 1.423 340 W HN -0.384 nan 8.180 nan 0.000 0.571 341 V N 1.281 121.297 119.914 0.170 0.000 2.808 341 V HA 0.819 4.940 4.120 0.001 0.000 0.308 341 V C -0.375 175.799 176.094 0.133 0.000 1.099 341 V CA -0.691 61.622 62.300 0.023 0.000 0.920 341 V CB 1.208 32.971 31.823 -0.099 0.000 1.014 341 V HN 0.900 nan 8.190 nan 0.000 0.425 342 A N 2.224 125.101 122.820 0.095 0.000 2.435 342 A HA 0.791 5.111 4.320 0.001 0.000 0.304 342 A C -0.776 176.867 177.584 0.097 0.000 1.064 342 A CA -0.484 51.610 52.037 0.096 0.000 0.727 342 A CB 1.754 20.810 19.000 0.093 0.000 1.284 342 A HN 1.075 nan 8.150 nan 0.000 0.415 343 C N 2.015 121.369 119.300 0.090 0.000 2.319 343 C HA 0.821 5.281 4.460 0.001 0.000 0.335 343 C C -0.226 174.863 174.990 0.165 0.000 1.274 343 C CA -0.071 59.000 59.018 0.088 0.000 1.806 343 C CB -0.050 27.683 27.740 -0.011 0.000 2.329 343 C HN 1.094 nan 8.230 nan 0.000 0.524 344 V N 6.786 126.824 119.914 0.206 0.000 3.049 344 V HA 0.665 4.785 4.120 0.001 0.000 0.309 344 V C 0.315 176.514 176.094 0.175 0.000 1.148 344 V CA -0.572 61.862 62.300 0.223 0.000 0.990 344 V CB 1.767 33.782 31.823 0.320 0.000 1.039 344 V HN 1.046 nan 8.190 nan 0.000 0.430 345 R N 3.405 123.969 120.500 0.106 0.000 3.416 345 R HA -0.213 4.128 4.340 0.001 0.000 0.263 345 R C 0.960 177.184 176.300 -0.127 0.000 1.053 345 R CA 0.899 56.995 56.100 -0.007 0.000 0.705 345 R CB -1.455 28.844 30.300 -0.002 0.000 1.124 345 R HN 1.360 nan 8.270 nan 0.000 0.444 346 S N -1.977 113.691 115.700 -0.054 0.000 1.637 346 S HA -0.345 4.126 4.470 0.001 0.000 0.232 346 S C 0.589 175.135 174.600 -0.090 0.000 0.808 346 S CA 2.158 60.314 58.200 -0.072 0.000 1.437 346 S CB -0.943 62.201 63.200 -0.094 0.000 1.838 346 S HN 0.917 nan 8.310 nan 0.000 0.525 347 N N -0.103 118.489 118.700 -0.179 0.000 2.291 347 N HA 0.427 5.168 4.740 0.001 0.000 0.244 347 N C -0.753 174.760 175.510 0.005 0.000 1.216 347 N CA -0.375 52.600 53.050 -0.124 0.000 0.879 347 N CB 0.395 38.794 38.487 -0.146 0.000 1.167 347 N HN 0.283 nan 8.380 nan 0.000 0.515 348 F N 1.155 121.127 119.950 0.036 0.000 2.507 348 F HA 0.589 5.117 4.527 0.001 0.000 0.327 348 F C -0.044 175.792 175.800 0.059 0.000 1.068 348 F CA -1.445 56.589 58.000 0.057 0.000 0.965 348 F CB 1.524 40.574 39.000 0.084 0.000 1.192 348 F HN -0.101 nan 8.300 nan 0.000 0.476 349 L N 2.509 123.895 121.223 0.271 0.000 2.385 349 L HA 0.617 4.958 4.340 0.001 0.000 0.273 349 L C -1.060 175.875 176.870 0.109 0.000 0.990 349 L CA -0.990 53.933 54.840 0.137 0.000 0.821 349 L CB 2.170 44.262 42.059 0.055 0.000 1.279 349 L HN 0.177 nan 8.230 nan 0.000 0.412 350 V N 4.696 124.649 119.914 0.066 0.000 2.370 350 V HA 0.412 4.532 4.120 0.001 0.000 0.279 350 V C 0.030 176.000 176.094 -0.206 0.000 1.029 350 V CA -0.394 61.907 62.300 0.001 0.000 0.870 350 V CB 1.582 33.418 31.823 0.022 0.000 0.984 350 V HN 0.462 nan 8.190 nan 0.000 0.451 351 L N 4.669 125.732 121.223 -0.267 0.000 2.322 351 L HA 0.545 4.886 4.340 0.001 0.000 0.281 351 L C -0.369 176.096 176.870 -0.675 0.000 1.014 351 L CA -0.267 54.272 54.840 -0.500 0.000 0.815 351 L CB 1.737 43.543 42.059 -0.421 0.000 1.247 351 L HN 0.673 nan 8.230 nan 0.000 0.421 352 C N 3.923 122.555 119.300 -1.114 0.000 2.301 352 C HA 0.602 5.062 4.460 0.001 0.000 0.323 352 C C -0.287 174.220 174.990 -0.805 0.000 1.265 352 C CA -0.370 58.005 59.018 -1.071 0.000 1.503 352 C CB -0.198 26.370 27.740 -1.953 0.000 2.195 352 C HN 0.645 nan 8.230 nan 0.000 0.477 353 Y N 3.688 123.769 120.300 -0.365 0.000 2.534 353 Y HA 0.691 5.242 4.550 0.001 0.000 0.329 353 Y C -0.041 175.764 175.900 -0.157 0.000 1.154 353 Y CA -0.836 57.121 58.100 -0.238 0.000 1.192 353 Y CB 1.344 39.683 38.460 -0.202 0.000 1.275 353 Y HN 0.536 nan 8.280 nan 0.000 0.491 354 L N 2.378 123.644 121.223 0.071 0.000 2.316 354 L HA 0.359 4.700 4.340 0.001 0.000 0.280 354 L C -1.406 175.493 176.870 0.048 0.000 1.006 354 L CA -0.435 54.420 54.840 0.025 0.000 0.836 354 L CB 0.360 42.388 42.059 -0.053 0.000 1.221 354 L HN 0.667 nan 8.230 nan 0.000 0.418 355 H N 4.357 123.416 119.070 -0.019 0.000 2.638 355 H HA 0.364 4.921 4.556 0.001 0.000 0.303 355 H C -0.584 174.763 175.328 0.031 0.000 1.034 355 H CA -0.355 55.681 56.048 -0.020 0.000 1.225 355 H CB 0.491 30.230 29.762 -0.039 0.000 1.394 355 H HN 0.674 nan 8.280 nan 0.000 0.477 356 D N 4.574 124.759 120.400 -0.359 0.000 2.686 356 D HA -0.182 4.459 4.640 0.001 0.000 0.235 356 D C 0.303 176.555 176.300 -0.081 0.000 1.160 356 D CA 1.211 55.101 54.000 -0.183 0.000 0.645 356 D CB -1.237 39.475 40.800 -0.146 0.000 1.039 356 D HN 0.620 nan 8.370 nan 0.000 0.423 357 V N -2.633 117.199 119.914 -0.137 0.000 4.591 357 V HA -0.359 3.762 4.120 0.001 0.000 0.261 357 V C 0.609 176.834 176.094 0.219 0.000 0.425 357 V CA 1.856 64.166 62.300 0.017 0.000 0.826 357 V CB -1.866 29.969 31.823 0.020 0.000 0.812 357 V HN 0.518 nan 8.190 nan 0.000 1.340 358 K N 0.289 120.789 120.400 0.167 0.000 2.427 358 K HA 0.574 4.894 4.320 0.001 0.000 0.252 358 K C -0.195 176.497 176.600 0.154 0.000 0.931 358 K CA -0.692 55.716 56.287 0.201 0.000 0.793 358 K CB 2.073 34.733 32.500 0.267 0.000 1.211 358 K HN 0.378 nan 8.250 nan 0.000 0.426 359 N N 0.738 119.524 118.700 0.143 0.000 2.530 359 N HA 0.235 4.976 4.740 0.001 0.000 0.277 359 N C -0.696 174.885 175.510 0.118 0.000 1.168 359 N CA -0.037 53.081 53.050 0.115 0.000 0.979 359 N CB 1.001 39.560 38.487 0.120 0.000 1.141 359 N HN 0.560 nan 8.380 nan 0.000 0.459 360 T N -0.732 113.857 114.554 0.058 0.000 2.916 360 T HA 0.562 4.912 4.350 0.001 0.000 0.292 360 T C -1.109 173.573 174.700 -0.030 0.000 1.055 360 T CA -0.879 61.236 62.100 0.025 0.000 1.009 360 T CB 1.390 70.258 68.868 -0.000 0.000 1.118 360 T HN 0.156 nan 8.240 nan 0.000 0.497 361 L N 2.551 123.750 121.223 -0.039 0.000 2.464 361 L HA 0.593 4.933 4.340 0.001 0.000 0.266 361 L C -1.134 175.752 176.870 0.026 0.000 0.965 361 L CA -0.416 54.380 54.840 -0.073 0.000 0.833 361 L CB 1.770 43.733 42.059 -0.160 0.000 1.296 361 L HN 1.184 nan 8.230 nan 0.000 0.405 362 Q N 3.343 123.153 119.800 0.017 0.000 2.534 362 Q HA 0.576 4.916 4.340 0.001 0.000 0.290 362 Q C -2.051 173.947 176.000 -0.002 0.000 0.991 362 Q CA -0.996 54.754 55.803 -0.088 0.000 0.783 362 Q CB 3.138 31.842 28.738 -0.057 0.000 1.470 362 Q HN 0.460 nan 8.270 nan 0.000 0.406 363 L N 1.358 122.452 121.223 -0.215 0.000 2.322 363 L HA 0.541 4.882 4.340 0.001 0.000 0.281 363 L C -1.134 175.645 176.870 -0.152 0.000 1.014 363 L CA -0.115 54.643 54.840 -0.136 0.000 0.815 363 L CB 1.413 43.254 42.059 -0.363 0.000 1.247 363 L HN 0.703 nan 8.230 nan 0.000 0.421 364 H N 1.560 120.559 119.070 -0.118 0.000 2.834 364 H HA 0.274 4.831 4.556 0.001 0.000 0.369 364 H C -1.370 173.985 175.328 0.045 0.000 1.174 364 H CA -0.895 55.122 56.048 -0.051 0.000 1.165 364 H CB 2.249 32.002 29.762 -0.014 0.000 1.820 364 H HN 0.551 nan 8.280 nan 0.000 0.558 365 D N 1.117 121.627 120.400 0.184 0.000 2.264 365 D HA 0.007 4.648 4.640 0.001 0.000 0.250 365 D C 0.935 177.333 176.300 0.163 0.000 1.113 365 D CA -0.446 53.681 54.000 0.212 0.000 0.871 365 D CB 1.123 42.007 40.800 0.140 0.000 1.167 365 D HN 0.270 nan 8.370 nan 0.000 0.447 366 L N 4.901 126.208 121.223 0.141 0.000 2.046 366 L HA 0.009 4.350 4.340 0.001 0.000 0.208 366 L C 1.917 178.809 176.870 0.036 0.000 1.077 366 L CA 2.301 57.179 54.840 0.064 0.000 0.747 366 L CB -0.810 41.263 42.059 0.024 0.000 0.896 366 L HN 0.586 nan 8.230 nan 0.000 0.432 367 A N -1.349 121.492 122.820 0.035 0.000 1.898 367 A HA -0.167 4.154 4.320 0.001 0.000 0.216 367 A C 2.270 179.875 177.584 0.035 0.000 1.181 367 A CA 2.261 54.312 52.037 0.022 0.000 0.620 367 A CB -1.071 17.938 19.000 0.016 0.000 0.819 367 A HN 0.611 nan 8.150 nan 0.000 0.442 368 T N -5.725 108.859 114.554 0.050 0.000 3.015 368 T HA 0.420 4.771 4.350 0.001 0.000 0.250 368 T C 1.493 176.235 174.700 0.070 0.000 1.057 368 T CA 1.114 63.246 62.100 0.052 0.000 1.066 368 T CB 0.320 69.215 68.868 0.046 0.000 0.959 368 T HN 1.700 nan 8.240 nan 0.000 0.488 369 G N 1.708 110.565 108.800 0.095 0.000 2.179 369 G HA2 -0.076 3.885 3.960 0.001 0.000 0.260 369 G HA3 -0.076 3.885 3.960 0.001 0.000 0.260 369 G C 0.369 175.404 174.900 0.225 0.000 0.977 369 G CA 0.015 45.200 45.100 0.142 0.000 0.641 369 G HN 1.224 nan 8.290 nan 0.000 0.533 370 A N -0.091 122.800 122.820 0.117 0.000 2.498 370 A HA 0.609 4.930 4.320 0.001 0.000 0.239 370 A C 0.596 178.093 177.584 -0.145 0.000 1.068 370 A CA 0.380 52.434 52.037 0.028 0.000 0.766 370 A CB 0.519 19.514 19.000 -0.007 0.000 1.003 370 A HN 1.655 nan 8.150 nan 0.000 0.497 371 L N 2.657 123.674 121.223 -0.344 0.000 2.410 371 L HA 0.285 4.626 4.340 0.001 0.000 0.273 371 L C 0.482 177.104 176.870 -0.413 0.000 1.144 371 L CA 0.519 54.927 54.840 -0.720 0.000 0.863 371 L CB 0.134 41.891 42.059 -0.504 0.000 1.140 371 L HN 0.713 nan 8.230 nan 0.000 0.463 372 L N 3.045 124.008 121.223 -0.433 0.000 2.467 372 L HA 0.365 4.706 4.340 0.001 0.000 0.213 372 L C 0.182 176.836 176.870 -0.360 0.000 1.053 372 L CA -0.030 54.618 54.840 -0.319 0.000 0.847 372 L CB -0.027 41.848 42.059 -0.307 0.000 1.075 372 L HN 0.612 nan 8.230 nan 0.000 0.479 373 K N 0.458 120.574 120.400 -0.473 0.000 2.569 373 K HA 0.463 4.784 4.320 0.001 0.000 0.259 373 K C -1.700 174.486 176.600 -0.690 0.000 0.932 373 K CA -0.224 55.730 56.287 -0.556 0.000 0.833 373 K CB 1.586 33.688 32.500 -0.663 0.000 1.340 373 K HN -0.057 nan 8.250 nan 0.000 0.429 374 I N 4.776 125.021 120.570 -0.541 0.000 2.336 374 I HA 0.373 4.544 4.170 0.001 0.000 0.292 374 I C -0.613 175.228 176.117 -0.459 0.000 0.991 374 I CA -0.809 60.226 61.300 -0.442 0.000 1.227 374 I CB 0.666 38.513 38.000 -0.255 0.000 1.366 374 I HN 0.472 nan 8.210 nan 0.000 0.466 375 F N 7.740 127.587 119.950 -0.171 0.000 2.390 375 F HA 0.317 4.844 4.527 0.001 0.000 0.361 375 F C -1.689 174.003 175.800 -0.180 0.000 1.124 375 F CA -2.762 55.129 58.000 -0.181 0.000 1.149 375 F CB 0.114 38.954 39.000 -0.266 0.000 1.160 375 F HN 0.260 nan 8.300 nan 0.000 0.501 376 P HA 0.150 nan 4.420 nan 0.000 0.264 376 P C -0.813 176.411 177.300 -0.126 0.000 1.193 376 P CA 0.266 63.327 63.100 -0.065 0.000 0.763 376 P CB 1.206 32.870 31.700 -0.060 0.000 0.810 377 L N 1.938 123.088 121.223 -0.122 0.000 2.409 377 L HA 0.402 4.742 4.340 0.001 0.000 0.262 377 L C 0.719 177.484 176.870 -0.175 0.000 0.992 377 L CA -1.100 53.604 54.840 -0.226 0.000 0.817 377 L CB 2.285 44.290 42.059 -0.090 0.000 1.350 377 L HN 0.265 nan 8.230 nan 0.000 0.411 378 E N 0.848 120.839 120.200 -0.348 0.000 2.622 378 E HA 0.230 4.580 4.350 0.001 0.000 0.255 378 E C -0.535 176.195 176.600 0.217 0.000 1.313 378 E CA -0.498 55.865 56.400 -0.062 0.000 1.011 378 E CB 1.287 30.959 29.700 -0.046 0.000 1.173 378 E HN 0.361 nan 8.360 nan 0.000 0.601 379 V N -1.461 118.626 119.914 0.289 0.000 2.479 379 V HA 0.623 4.743 4.120 0.001 0.000 0.281 379 V C 0.548 176.853 176.094 0.351 0.000 1.031 379 V CA 0.707 63.191 62.300 0.306 0.000 1.038 379 V CB -0.102 31.864 31.823 0.238 0.000 0.981 379 V HN 0.762 nan 8.190 nan 0.000 0.478 380 G N 3.662 112.614 108.800 0.253 0.000 2.399 380 G HA2 0.505 4.466 3.960 0.001 0.000 0.256 380 G HA3 0.505 4.466 3.960 0.001 0.000 0.256 380 G C -0.894 173.920 174.900 -0.143 0.000 1.236 380 G CA -0.125 44.874 45.100 -0.168 0.000 0.914 380 G HN 0.982 nan 8.290 nan 0.000 0.482 381 S N -1.312 114.156 115.700 -0.387 0.000 2.570 381 S HA 0.668 5.138 4.470 0.001 0.000 0.286 381 S C -0.693 173.897 174.600 -0.017 0.000 1.099 381 S CA -0.495 57.629 58.200 -0.127 0.000 0.913 381 S CB 2.054 65.164 63.200 -0.149 0.000 1.085 381 S HN 0.844 nan 8.310 nan 0.000 0.480 382 V N 3.178 123.201 119.914 0.183 0.000 2.348 382 V HA 0.210 4.330 4.120 0.001 0.000 0.270 382 V C 0.848 177.101 176.094 0.266 0.000 1.037 382 V CA -0.263 62.233 62.300 0.327 0.000 0.872 382 V CB 0.930 33.008 31.823 0.425 0.000 1.002 382 V HN 0.851 nan 8.190 nan 0.000 0.464 383 V N 2.003 122.044 119.914 0.213 0.000 3.578 383 V HA 0.713 4.834 4.120 0.001 0.000 0.290 383 V C 0.646 176.833 176.094 0.157 0.000 1.376 383 V CA 0.552 62.939 62.300 0.145 0.000 1.083 383 V CB 0.161 32.035 31.823 0.085 0.000 0.911 383 V HN 0.792 nan 8.190 nan 0.000 0.433 384 G N -0.625 108.316 108.800 0.236 0.000 2.720 384 G HA2 0.606 4.566 3.960 0.001 0.000 0.295 384 G HA3 0.606 4.566 3.960 0.001 0.000 0.295 384 G C -2.237 172.869 174.900 0.344 0.000 1.437 384 G CA -0.696 44.539 45.100 0.226 0.000 0.886 384 G HN 0.483 nan 8.290 nan 0.000 0.509 385 Y N 0.752 121.120 120.300 0.113 0.000 2.565 385 Y HA 0.669 5.219 4.550 0.001 0.000 0.330 385 Y C -0.813 175.173 175.900 0.143 0.000 1.150 385 Y CA -0.556 57.642 58.100 0.164 0.000 1.055 385 Y CB 1.938 40.389 38.460 -0.013 0.000 1.337 385 Y HN 1.216 nan 8.280 nan 0.000 0.457 386 S N 3.153 118.359 115.700 -0.823 0.000 2.546 386 S HA 0.915 5.385 4.470 0.001 0.000 0.274 386 S C -0.637 173.519 174.600 -0.740 0.000 1.121 386 S CA -0.317 57.559 58.200 -0.540 0.000 0.887 386 S CB 1.630 64.863 63.200 0.055 0.000 1.094 386 S HN 2.056 nan 8.310 nan 0.000 0.474 387 G N 2.608 111.243 108.800 -0.275 0.000 2.145 387 G HA2 0.253 4.213 3.960 0.001 0.000 0.174 387 G HA3 0.253 4.213 3.960 0.001 0.000 0.174 387 G C -1.130 173.894 174.900 0.207 0.000 1.726 387 G CA -0.892 44.218 45.100 0.017 0.000 1.080 387 G HN 0.675 nan 8.290 nan 0.000 0.606 388 Q N 1.860 121.758 119.800 0.163 0.000 2.185 388 Q HA 0.403 4.744 4.340 0.001 0.000 0.225 388 Q C 1.429 177.514 176.000 0.142 0.000 0.983 388 Q CA -0.776 55.125 55.803 0.163 0.000 0.950 388 Q CB 1.496 30.312 28.738 0.130 0.000 1.176 388 Q HN 0.581 nan 8.270 nan 0.000 0.510 389 K N 0.869 121.341 120.400 0.120 0.000 2.113 389 K HA -0.211 4.110 4.320 0.001 0.000 0.208 389 K C 1.632 178.273 176.600 0.067 0.000 1.047 389 K CA 2.076 58.414 56.287 0.086 0.000 0.928 389 K CB 0.080 32.620 32.500 0.067 0.000 0.716 389 K HN 0.545 nan 8.250 nan 0.000 0.446 390 K N -0.263 120.178 120.400 0.068 0.000 2.418 390 K HA 0.013 4.334 4.320 0.001 0.000 0.195 390 K C -0.202 176.425 176.600 0.046 0.000 1.035 390 K CA 0.378 56.693 56.287 0.048 0.000 1.003 390 K CB 0.166 32.691 32.500 0.041 0.000 0.793 390 K HN -0.015 nan 8.250 nan 0.000 0.494 391 D N 2.124 122.565 120.400 0.068 0.000 2.344 391 D HA -0.004 4.636 4.640 0.001 0.000 0.244 391 D C 0.521 176.873 176.300 0.086 0.000 1.134 391 D CA 0.325 54.371 54.000 0.078 0.000 0.930 391 D CB 1.723 42.585 40.800 0.104 0.000 1.175 391 D HN 0.290 nan 8.370 nan 0.000 0.437 392 T N -2.522 112.086 114.554 0.089 0.000 3.228 392 T HA 0.245 4.596 4.350 0.001 0.000 0.278 392 T C 0.165 174.918 174.700 0.088 0.000 1.014 392 T CA -0.537 61.615 62.100 0.087 0.000 0.904 392 T CB -0.059 68.848 68.868 0.065 0.000 1.110 392 T HN 0.575 nan 8.240 nan 0.000 0.541 393 E N 0.933 121.185 120.200 0.085 0.000 2.407 393 E HA 0.614 4.964 4.350 0.001 0.000 0.279 393 E C -1.329 175.260 176.600 -0.018 0.000 1.012 393 E CA -1.415 54.973 56.400 -0.019 0.000 0.800 393 E CB 1.679 31.378 29.700 -0.002 0.000 1.276 393 E HN 0.409 nan 8.360 nan 0.000 0.452 394 I N -1.697 118.772 120.570 -0.169 0.000 2.785 394 I HA 0.722 4.893 4.170 0.001 0.000 0.302 394 I C -1.463 174.501 176.117 -0.256 0.000 1.069 394 I CA -1.188 60.060 61.300 -0.087 0.000 1.045 394 I CB 1.607 39.669 38.000 0.104 0.000 1.236 394 I HN 0.435 nan 8.210 nan 0.000 0.429 395 F N 3.688 123.626 119.950 -0.020 0.000 2.551 395 F HA 0.699 5.226 4.527 0.001 0.000 0.316 395 F C -0.822 175.074 175.800 0.160 0.000 1.089 395 F CA -0.538 57.458 58.000 -0.007 0.000 0.915 395 F CB 2.188 41.157 39.000 -0.052 0.000 1.186 395 F HN 0.537 nan 8.300 nan 0.000 0.456 396 Y N -0.153 120.339 120.300 0.319 0.000 2.513 396 Y HA 0.577 5.127 4.550 0.001 0.000 0.340 396 Y C -1.337 174.804 175.900 0.402 0.000 1.055 396 Y CA -1.358 56.964 58.100 0.369 0.000 1.020 396 Y CB 1.249 39.941 38.460 0.386 0.000 1.301 396 Y HN 0.624 nan 8.280 nan 0.000 0.453 397 Q N 3.453 123.549 119.800 0.493 0.000 2.322 397 Q HA 0.522 4.863 4.340 0.001 0.000 0.265 397 Q C -2.081 174.200 176.000 0.468 0.000 0.985 397 Q CA -0.864 55.175 55.803 0.393 0.000 0.849 397 Q CB 1.601 30.512 28.738 0.289 0.000 1.274 397 Q HN 0.781 nan 8.270 nan 0.000 0.449 398 F N 2.351 122.485 119.950 0.306 0.000 2.480 398 F HA 0.658 5.185 4.527 0.001 0.000 0.329 398 F C -0.731 175.162 175.800 0.155 0.000 1.091 398 F CA -0.175 57.991 58.000 0.275 0.000 0.972 398 F CB 2.176 41.410 39.000 0.390 0.000 1.150 398 F HN 0.487 nan 8.300 nan 0.000 0.467 399 T N 2.960 117.073 114.554 -0.735 0.000 2.864 399 T HA 0.745 5.096 4.350 0.001 0.000 0.299 399 T C -1.215 172.972 174.700 -0.854 0.000 1.166 399 T CA -0.090 61.686 62.100 -0.540 0.000 1.007 399 T CB 1.294 70.046 68.868 -0.194 0.000 1.219 399 T HN 1.011 nan 8.240 nan 0.000 0.506 400 S N 0.759 116.199 115.700 -0.433 0.000 2.688 400 S HA 0.571 5.042 4.470 0.001 0.000 0.275 400 S C 0.096 174.604 174.600 -0.153 0.000 1.175 400 S CA -0.704 57.272 58.200 -0.374 0.000 0.818 400 S CB 0.414 63.534 63.200 -0.134 0.000 1.157 400 S HN 0.451 nan 8.310 nan 0.000 0.482 401 F N 0.385 120.306 119.950 -0.048 0.000 2.234 401 F HA 0.250 4.777 4.527 0.001 0.000 0.299 401 F C 1.772 177.640 175.800 0.114 0.000 1.087 401 F CA 1.103 59.096 58.000 -0.011 0.000 1.340 401 F CB -0.389 38.557 39.000 -0.090 0.000 1.031 401 F HN 0.371 nan 8.300 nan 0.000 0.500 402 L N -2.091 119.322 121.223 0.318 0.000 2.664 402 L HA 0.208 4.548 4.340 0.001 0.000 0.233 402 L C 0.550 177.564 176.870 0.239 0.000 1.113 402 L CA 0.052 55.065 54.840 0.290 0.000 0.896 402 L CB 0.169 42.359 42.059 0.219 0.000 1.163 402 L HN -0.068 nan 8.230 nan 0.000 0.497 403 S N -0.836 114.913 115.700 0.082 0.000 2.538 403 S HA 0.437 4.907 4.470 0.001 0.000 0.288 403 S C -2.199 171.972 174.600 -0.714 0.000 1.108 403 S CA -1.252 56.789 58.200 -0.264 0.000 0.971 403 S CB 1.859 65.025 63.200 -0.057 0.000 1.041 403 S HN -0.229 nan 8.310 nan 0.000 0.483 404 P HA 0.172 nan 4.420 nan 0.000 0.221 404 P C 0.725 177.848 177.300 -0.295 0.000 1.145 404 P CA 1.581 64.097 63.100 -0.974 0.000 0.795 404 P CB -0.240 30.996 31.700 -0.773 0.000 0.775 405 G N -1.322 107.369 108.800 -0.182 0.000 2.479 405 G HA2 0.010 3.971 3.960 0.001 0.000 0.686 405 G HA3 0.010 3.971 3.960 0.001 0.000 0.686 405 G C -1.422 173.497 174.900 0.032 0.000 1.295 405 G CA -0.827 44.279 45.100 0.011 0.000 0.922 405 G HN 0.077 nan 8.290 nan 0.000 0.582 406 I N -0.242 120.381 120.570 0.087 0.000 2.722 406 I HA 0.506 4.677 4.170 0.001 0.000 0.295 406 I C -0.179 175.868 176.117 -0.117 0.000 1.161 406 I CA -0.932 60.299 61.300 -0.115 0.000 1.032 406 I CB 2.365 40.146 38.000 -0.365 0.000 1.244 406 I HN 0.473 nan 8.210 nan 0.000 0.421 407 I N 4.964 125.439 120.570 -0.158 0.000 2.339 407 I HA 0.345 4.516 4.170 0.001 0.000 0.290 407 I C -0.989 175.014 176.117 -0.190 0.000 0.994 407 I CA -0.470 60.812 61.300 -0.030 0.000 1.191 407 I CB 0.914 38.996 38.000 0.137 0.000 1.343 407 I HN 0.374 nan 8.210 nan 0.000 0.458 408 Y N 4.642 124.797 120.300 -0.242 0.000 2.453 408 Y HA 0.451 5.001 4.550 0.001 0.000 0.326 408 Y C 0.222 175.881 175.900 -0.401 0.000 1.186 408 Y CA -0.440 57.401 58.100 -0.431 0.000 1.200 408 Y CB 1.210 39.068 38.460 -1.004 0.000 1.247 408 Y HN 0.466 nan 8.280 nan 0.000 0.482 409 H N 1.205 120.121 119.070 -0.257 0.000 2.679 409 H HA 0.524 5.081 4.556 0.001 0.000 0.360 409 H C -1.766 173.366 175.328 -0.328 0.000 1.105 409 H CA -0.732 54.992 56.048 -0.540 0.000 1.196 409 H CB 2.066 31.426 29.762 -0.670 0.000 1.636 409 H HN 0.806 nan 8.280 nan 0.000 0.531 410 C N 5.363 124.095 119.300 -0.947 0.000 2.432 410 C HA 0.166 4.627 4.460 0.001 0.000 0.334 410 C C -0.631 173.969 174.990 -0.651 0.000 1.155 410 C CA -0.700 57.960 59.018 -0.597 0.000 1.335 410 C CB 0.338 27.927 27.740 -0.251 0.000 1.964 410 C HN 0.887 nan 8.230 nan 0.000 0.444 411 D N 4.333 124.440 120.400 -0.490 0.000 2.338 411 D HA 0.171 4.812 4.640 0.001 0.000 0.255 411 D C 0.835 177.103 176.300 -0.054 0.000 1.237 411 D CA 0.009 53.875 54.000 -0.224 0.000 0.883 411 D CB 0.703 41.456 40.800 -0.079 0.000 1.087 411 D HN 0.692 nan 8.370 nan 0.000 0.485 412 L N 3.075 124.313 121.223 0.024 0.000 2.599 412 L HA 0.008 4.349 4.340 0.001 0.000 0.230 412 L C 2.042 179.024 176.870 0.187 0.000 1.141 412 L CA 0.533 55.475 54.840 0.169 0.000 0.877 412 L CB -0.329 41.914 42.059 0.307 0.000 1.009 412 L HN 0.470 nan 8.230 nan 0.000 0.447 413 T N -4.500 110.113 114.554 0.099 0.000 3.100 413 T HA 0.075 4.425 4.350 0.001 0.000 0.253 413 T C 0.917 175.658 174.700 0.069 0.000 1.118 413 T CA -0.155 61.991 62.100 0.076 0.000 1.058 413 T CB 0.087 68.985 68.868 0.050 0.000 0.953 413 T HN -0.086 nan 8.240 nan 0.000 0.515 414 K N 1.970 122.410 120.400 0.067 0.000 2.174 414 K HA 0.297 4.618 4.320 0.001 0.000 0.275 414 K C 1.042 177.678 176.600 0.061 0.000 1.015 414 K CA -0.487 55.831 56.287 0.051 0.000 0.933 414 K CB 1.341 33.861 32.500 0.034 0.000 1.025 414 K HN 0.006 nan 8.250 nan 0.000 0.463 415 E N 1.255 121.482 120.200 0.045 0.000 2.110 415 E HA -0.146 4.205 4.350 0.001 0.000 0.193 415 E C -0.161 176.456 176.600 0.029 0.000 0.988 415 E CA 1.243 57.668 56.400 0.042 0.000 0.804 415 E CB 0.429 30.144 29.700 0.026 0.000 0.745 415 E HN 0.374 nan 8.360 nan 0.000 0.458 416 E N 0.649 120.860 120.200 0.019 0.000 2.109 416 E HA 0.198 4.549 4.350 0.001 0.000 0.278 416 E C -0.614 175.994 176.600 0.014 0.000 0.954 416 E CA -0.450 55.954 56.400 0.006 0.000 0.779 416 E CB 0.715 30.416 29.700 0.002 0.000 1.093 416 E HN 0.098 nan 8.360 nan 0.000 0.401 417 L N 4.337 125.565 121.223 0.008 0.000 2.342 417 L HA 0.207 4.548 4.340 0.001 0.000 0.285 417 L C 0.501 177.404 176.870 0.056 0.000 1.095 417 L CA 0.198 55.062 54.840 0.039 0.000 0.843 417 L CB 0.276 42.359 42.059 0.040 0.000 1.201 417 L HN 0.236 nan 8.230 nan 0.000 0.445 418 E N 5.306 125.534 120.200 0.046 0.000 2.149 418 E HA 0.306 4.656 4.350 0.001 0.000 0.255 418 E C -2.405 174.222 176.600 0.045 0.000 0.888 418 E CA -1.934 54.494 56.400 0.047 0.000 0.742 418 E CB 1.443 31.159 29.700 0.026 0.000 1.164 418 E HN 0.311 nan 8.360 nan 0.000 0.422 419 P HA 0.077 nan 4.420 nan 0.000 0.271 419 P C -0.655 176.699 177.300 0.090 0.000 1.220 419 P CA -0.062 63.071 63.100 0.054 0.000 0.768 419 P CB 0.664 32.423 31.700 0.098 0.000 0.848 420 R N 1.945 122.502 120.500 0.095 0.000 2.803 420 R HA 0.465 4.806 4.340 0.001 0.000 0.276 420 R C -0.835 175.551 176.300 0.143 0.000 0.978 420 R CA -1.199 54.974 56.100 0.121 0.000 0.939 420 R CB 1.036 31.390 30.300 0.090 0.000 1.179 420 R HN 0.172 nan 8.270 nan 0.000 0.472 421 V N 3.191 123.138 119.914 0.055 0.000 2.529 421 V HA -0.014 4.107 4.120 0.001 0.000 0.292 421 V C 0.840 176.905 176.094 -0.047 0.000 1.028 421 V CA 0.583 62.810 62.300 -0.121 0.000 1.074 421 V CB 0.121 31.844 31.823 -0.166 0.000 0.958 421 V HN 0.697 nan 8.190 nan 0.000 0.481 422 F N 4.878 124.696 119.950 -0.220 0.000 2.500 422 F HA 0.416 4.944 4.527 0.001 0.000 0.285 422 F C 1.112 176.746 175.800 -0.277 0.000 1.088 422 F CA 0.100 57.979 58.000 -0.202 0.000 1.432 422 F CB 0.444 39.383 39.000 -0.101 0.000 1.131 422 F HN 0.396 nan 8.300 nan 0.000 0.582 423 R N 0.841 121.213 120.500 -0.213 0.000 2.535 423 R HA 0.330 4.671 4.340 0.001 0.000 0.274 423 R C -1.784 174.379 176.300 -0.227 0.000 1.090 423 R CA -0.463 55.438 56.100 -0.332 0.000 0.930 423 R CB 1.478 31.564 30.300 -0.357 0.000 1.223 423 R HN 0.164 nan 8.270 nan 0.000 0.441 424 E N 3.809 123.883 120.200 -0.211 0.000 2.287 424 E HA 0.367 4.717 4.350 0.001 0.000 0.274 424 E C -1.528 175.015 176.600 -0.094 0.000 0.896 424 E CA -0.859 55.456 56.400 -0.142 0.000 0.788 424 E CB 1.910 31.517 29.700 -0.155 0.000 1.244 424 E HN 0.401 nan 8.360 nan 0.000 0.408 425 V N 0.985 120.873 119.914 -0.044 0.000 2.715 425 V HA 0.787 4.907 4.120 0.001 0.000 0.310 425 V C -0.503 175.544 176.094 -0.078 0.000 1.054 425 V CA -0.346 61.950 62.300 -0.006 0.000 0.928 425 V CB 1.831 33.728 31.823 0.125 0.000 1.007 425 V HN 0.607 nan 8.190 nan 0.000 0.437 426 T N 3.131 117.644 114.554 -0.068 0.000 2.824 426 T HA 0.535 4.886 4.350 0.001 0.000 0.282 426 T C -0.381 174.261 174.700 -0.097 0.000 0.993 426 T CA -0.408 61.630 62.100 -0.102 0.000 0.967 426 T CB 1.592 70.426 68.868 -0.058 0.000 0.960 426 T HN 0.712 nan 8.240 nan 0.000 0.441 427 V N 4.544 124.364 119.914 -0.156 0.000 2.405 427 V HA 0.164 4.284 4.120 0.001 0.000 0.264 427 V C 0.546 176.645 176.094 0.009 0.000 1.048 427 V CA -0.425 61.819 62.300 -0.093 0.000 0.966 427 V CB -0.004 31.748 31.823 -0.119 0.000 1.015 427 V HN 0.711 nan 8.190 nan 0.000 0.477 428 K N 4.378 124.802 120.400 0.041 0.000 2.315 428 K HA 0.496 4.817 4.320 0.001 0.000 0.291 428 K C 1.034 177.678 176.600 0.073 0.000 1.074 428 K CA 0.573 56.891 56.287 0.051 0.000 0.936 428 K CB 0.592 33.123 32.500 0.052 0.000 1.049 428 K HN 1.008 nan 8.250 nan 0.000 0.471 429 G N 2.963 111.807 108.800 0.074 0.000 2.613 429 G HA2 -0.093 3.867 3.960 0.001 0.000 0.199 429 G HA3 -0.093 3.867 3.960 0.001 0.000 0.199 429 G C -0.119 174.841 174.900 0.101 0.000 0.991 429 G CA -0.722 44.434 45.100 0.094 0.000 0.756 429 G HN 0.497 nan 8.290 nan 0.000 0.515 430 I N 1.800 122.430 120.570 0.100 0.000 2.478 430 I HA 0.357 4.527 4.170 0.001 0.000 0.287 430 I C -1.552 174.647 176.117 0.135 0.000 1.042 430 I CA -0.757 60.625 61.300 0.137 0.000 1.067 430 I CB 2.168 40.257 38.000 0.148 0.000 1.233 430 I HN 0.019 nan 8.210 nan 0.000 0.431 431 D N 5.118 125.606 120.400 0.145 0.000 2.443 431 D HA 0.430 5.071 4.640 0.001 0.000 0.221 431 D C 0.940 177.308 176.300 0.114 0.000 1.097 431 D CA -0.227 53.815 54.000 0.071 0.000 0.865 431 D CB 1.849 42.638 40.800 -0.018 0.000 1.034 431 D HN 0.621 nan 8.370 nan 0.000 0.511 432 A N 2.905 125.811 122.820 0.143 0.000 1.986 432 A HA -0.202 4.119 4.320 0.001 0.000 0.220 432 A C 2.075 179.720 177.584 0.101 0.000 1.171 432 A CA 2.008 54.162 52.037 0.195 0.000 0.640 432 A CB -0.631 18.451 19.000 0.136 0.000 0.811 432 A HN 0.615 nan 8.150 nan 0.000 0.451 433 S N -0.179 115.525 115.700 0.006 0.000 2.500 433 S HA -0.129 4.342 4.470 0.001 0.000 0.239 433 S C 0.984 175.496 174.600 -0.146 0.000 0.989 433 S CA 1.216 59.391 58.200 -0.043 0.000 0.951 433 S CB -0.344 62.834 63.200 -0.038 0.000 0.759 433 S HN 0.552 nan 8.310 nan 0.000 0.523 434 D N 0.261 120.463 120.400 -0.331 0.000 2.347 434 D HA 0.156 4.797 4.640 0.001 0.000 0.213 434 D C -0.183 175.672 176.300 -0.742 0.000 0.985 434 D CA 0.643 54.279 54.000 -0.607 0.000 0.879 434 D CB 0.059 40.313 40.800 -0.909 0.000 0.919 434 D HN 0.513 nan 8.370 nan 0.000 0.526 435 Y N 0.140 120.417 120.300 -0.038 0.000 2.659 435 Y HA 0.429 4.980 4.550 0.001 0.000 0.333 435 Y C 0.402 176.251 175.900 -0.086 0.000 1.064 435 Y CA -1.240 56.818 58.100 -0.070 0.000 1.141 435 Y CB 1.092 39.515 38.460 -0.062 0.000 1.316 435 Y HN -0.287 nan 8.280 nan 0.000 0.509 436 Q N -0.766 119.031 119.800 -0.005 0.000 2.418 436 Q HA 0.698 5.039 4.340 0.001 0.000 0.282 436 Q C -1.795 174.128 176.000 -0.128 0.000 1.044 436 Q CA -1.056 54.706 55.803 -0.067 0.000 0.813 436 Q CB 2.306 30.983 28.738 -0.101 0.000 1.428 436 Q HN 0.588 nan 8.270 nan 0.000 0.402 437 T N 1.694 116.241 114.554 -0.011 0.000 2.779 437 T HA 0.575 4.925 4.350 0.001 0.000 0.280 437 T C -0.466 174.301 174.700 0.111 0.000 0.987 437 T CA -0.550 61.563 62.100 0.021 0.000 0.966 437 T CB 1.286 70.221 68.868 0.111 0.000 0.933 437 T HN 0.570 nan 8.240 nan 0.000 0.442 438 V N 1.862 121.860 119.914 0.139 0.000 2.769 438 V HA 0.729 4.850 4.120 0.001 0.000 0.312 438 V C -0.825 175.392 176.094 0.204 0.000 1.061 438 V CA -1.085 61.327 62.300 0.185 0.000 0.931 438 V CB 1.987 33.928 31.823 0.195 0.000 1.010 438 V HN 0.858 nan 8.190 nan 0.000 0.433 439 Q N 2.804 122.681 119.800 0.129 0.000 2.331 439 Q HA 0.744 5.084 4.340 0.001 0.000 0.267 439 Q C -1.140 174.717 176.000 -0.237 0.000 1.006 439 Q CA -0.752 54.967 55.803 -0.139 0.000 0.818 439 Q CB 1.892 30.486 28.738 -0.239 0.000 1.276 439 Q HN 0.972 nan 8.270 nan 0.000 0.450 440 I N -0.492 119.837 120.570 -0.401 0.000 3.108 440 I HA 0.685 4.855 4.170 0.001 0.000 0.312 440 I C -1.463 174.254 176.117 -0.666 0.000 1.095 440 I CA -0.857 60.252 61.300 -0.318 0.000 1.000 440 I CB 1.594 39.521 38.000 -0.121 0.000 1.229 440 I HN 0.412 nan 8.210 nan 0.000 0.454 441 F N 2.838 122.732 119.950 -0.093 0.000 2.507 441 F HA 0.597 5.124 4.527 0.001 0.000 0.328 441 F C -0.802 174.931 175.800 -0.112 0.000 1.136 441 F CA -0.510 57.409 58.000 -0.134 0.000 0.930 441 F CB 1.632 40.563 39.000 -0.114 0.000 1.166 441 F HN 0.532 nan 8.300 nan 0.000 0.436 442 Y N 2.260 122.524 120.300 -0.060 0.000 2.446 442 Y HA 0.823 5.374 4.550 0.001 0.000 0.338 442 Y C -3.132 172.803 175.900 0.057 0.000 1.055 442 Y CA -3.822 54.245 58.100 -0.055 0.000 1.101 442 Y CB 1.168 39.483 38.460 -0.241 0.000 1.221 442 Y HN 0.253 nan 8.280 nan 0.000 0.460 443 P HA 0.119 nan 4.420 nan 0.000 0.285 443 P C -0.359 177.046 177.300 0.176 0.000 1.259 443 P CA -0.139 63.020 63.100 0.097 0.000 0.794 443 P CB 2.053 33.816 31.700 0.105 0.000 0.940 444 S N 2.069 117.816 115.700 0.078 0.000 2.671 444 S HA 0.157 4.628 4.470 0.001 0.000 0.272 444 S C 1.535 176.181 174.600 0.077 0.000 1.174 444 S CA -0.474 57.797 58.200 0.117 0.000 1.004 444 S CB 0.268 63.489 63.200 0.034 0.000 1.077 444 S HN 0.306 nan 8.310 nan 0.000 0.553 445 K N 0.424 120.861 120.400 0.062 0.000 2.074 445 K HA -0.162 4.159 4.320 0.001 0.000 0.209 445 K C 1.070 177.680 176.600 0.016 0.000 1.048 445 K CA 1.995 58.305 56.287 0.039 0.000 0.926 445 K CB -0.385 32.132 32.500 0.028 0.000 0.713 445 K HN 0.724 nan 8.250 nan 0.000 0.444 446 D N -1.487 118.910 120.400 -0.005 0.000 2.328 446 D HA 0.042 4.682 4.640 0.001 0.000 0.226 446 D C 1.024 177.316 176.300 -0.014 0.000 1.066 446 D CA 0.739 54.728 54.000 -0.018 0.000 0.861 446 D CB 0.444 41.218 40.800 -0.044 0.000 0.912 446 D HN 0.321 nan 8.370 nan 0.000 0.521 447 G N -0.518 108.283 108.800 0.001 0.000 2.213 447 G HA2 -0.271 3.690 3.960 0.001 0.000 0.236 447 G HA3 -0.271 3.690 3.960 0.001 0.000 0.236 447 G C 0.501 175.397 174.900 -0.008 0.000 0.991 447 G CA 0.168 45.270 45.100 0.004 0.000 0.629 447 G HN 0.450 nan 8.290 nan 0.000 0.517 448 T N 3.408 117.948 114.554 -0.024 0.000 2.908 448 T HA 0.394 4.744 4.350 0.001 0.000 0.301 448 T C 0.396 175.083 174.700 -0.022 0.000 1.019 448 T CA 0.284 62.371 62.100 -0.021 0.000 1.152 448 T CB 0.947 69.783 68.868 -0.054 0.000 0.966 448 T HN 0.186 nan 8.240 nan 0.000 0.540 449 K N 3.786 124.183 120.400 -0.005 0.000 2.312 449 K HA 0.334 4.654 4.320 0.001 0.000 0.287 449 K C -0.168 176.455 176.600 0.038 0.000 1.062 449 K CA -0.448 55.823 56.287 -0.026 0.000 0.934 449 K CB 0.699 33.174 32.500 -0.041 0.000 1.027 449 K HN 0.418 nan 8.250 nan 0.000 0.478 450 I N 5.196 125.636 120.570 -0.218 0.000 2.404 450 I HA 0.330 4.501 4.170 0.001 0.000 0.293 450 I C -2.328 173.647 176.117 -0.236 0.000 0.992 450 I CA -3.190 58.002 61.300 -0.180 0.000 1.149 450 I CB 1.318 38.923 38.000 -0.659 0.000 1.315 450 I HN 0.165 nan 8.210 nan 0.000 0.446 451 P HA 0.457 nan 4.420 nan 0.000 0.278 451 P C -0.767 176.394 177.300 -0.231 0.000 1.238 451 P CA -0.552 62.339 63.100 -0.348 0.000 0.794 451 P CB 1.002 32.553 31.700 -0.248 0.000 0.955 452 M N 2.647 122.017 119.600 -0.383 0.000 2.322 452 M HA 0.480 4.960 4.480 0.001 0.000 0.285 452 M C -1.926 174.213 176.300 -0.268 0.000 1.119 452 M CA -0.568 54.637 55.300 -0.160 0.000 0.953 452 M CB 1.175 33.786 32.600 0.020 0.000 1.701 452 M HN -0.009 nan 8.290 nan 0.000 0.479 453 F N 5.056 124.995 119.950 -0.017 0.000 2.404 453 F HA 0.652 5.179 4.527 0.001 0.000 0.339 453 F C -0.267 175.451 175.800 -0.138 0.000 1.105 453 F CA -0.339 57.632 58.000 -0.050 0.000 1.087 453 F CB 1.271 40.304 39.000 0.055 0.000 1.143 453 F HN 0.384 nan 8.300 nan 0.000 0.491 454 I N 3.660 124.264 120.570 0.057 0.000 2.499 454 I HA 0.438 4.608 4.170 0.001 0.000 0.288 454 I C -1.251 174.836 176.117 -0.049 0.000 1.048 454 I CA -0.902 60.375 61.300 -0.038 0.000 1.062 454 I CB 2.011 39.942 38.000 -0.114 0.000 1.238 454 I HN 0.105 nan 8.210 nan 0.000 0.426 455 V N 5.731 125.580 119.914 -0.108 0.000 2.448 455 V HA 0.581 4.702 4.120 0.001 0.000 0.295 455 V C -0.757 175.348 176.094 0.018 0.000 1.025 455 V CA -0.445 61.764 62.300 -0.151 0.000 0.859 455 V CB 1.479 33.119 31.823 -0.305 0.000 0.988 455 V HN 0.970 nan 8.190 nan 0.000 0.431 456 H N 1.641 120.737 119.070 0.043 0.000 2.981 456 H HA 0.563 5.120 4.556 0.001 0.000 0.327 456 H C -0.752 174.679 175.328 0.171 0.000 1.342 456 H CA -1.179 54.911 56.048 0.071 0.000 1.123 456 H CB 1.195 30.997 29.762 0.066 0.000 1.851 456 H HN 0.470 nan 8.280 nan 0.000 0.531 457 K N 1.518 122.126 120.400 0.347 0.000 2.401 457 K HA 0.126 4.446 4.320 0.001 0.000 0.278 457 K C -0.538 176.187 176.600 0.209 0.000 1.018 457 K CA -0.460 55.978 56.287 0.252 0.000 0.981 457 K CB 0.475 33.056 32.500 0.136 0.000 0.933 457 K HN 0.598 nan 8.250 nan 0.000 0.477 458 K N 1.740 122.165 120.400 0.042 0.000 2.436 458 K HA 0.024 4.344 4.320 0.001 0.000 0.275 458 K C 0.769 177.407 176.600 0.062 0.000 0.999 458 K CA 0.921 57.242 56.287 0.056 0.000 0.980 458 K CB 0.447 32.933 32.500 -0.023 0.000 0.919 458 K HN 0.947 nan 8.250 nan 0.000 0.484 459 G N 2.122 110.975 108.800 0.088 0.000 2.162 459 G HA2 -0.273 3.688 3.960 0.001 0.000 0.260 459 G HA3 -0.273 3.688 3.960 0.001 0.000 0.260 459 G C 0.296 175.209 174.900 0.021 0.000 0.976 459 G CA 0.440 45.566 45.100 0.043 0.000 0.655 459 G HN 0.730 nan 8.290 nan 0.000 0.533 460 I N -1.735 118.840 120.570 0.009 0.000 2.836 460 I HA 0.646 4.817 4.170 0.001 0.000 0.285 460 I C 0.291 176.381 176.117 -0.046 0.000 1.174 460 I CA -0.570 60.699 61.300 -0.052 0.000 1.405 460 I CB 0.523 38.370 38.000 -0.255 0.000 1.385 460 I HN -0.111 nan 8.210 nan 0.000 0.594 461 K N 5.535 125.960 120.400 0.043 0.000 2.227 461 K HA 0.445 4.766 4.320 0.001 0.000 0.280 461 K C -0.519 176.111 176.600 0.050 0.000 1.041 461 K CA -0.231 56.068 56.287 0.021 0.000 0.905 461 K CB 1.228 33.740 32.500 0.020 0.000 1.068 461 K HN 0.541 nan 8.250 nan 0.000 0.470 462 L N 4.465 125.630 121.223 -0.096 0.000 2.437 462 L HA 0.070 4.411 4.340 0.001 0.000 0.243 462 L C 0.055 176.853 176.870 -0.119 0.000 1.346 462 L CA -0.040 54.689 54.840 -0.185 0.000 1.233 462 L CB -0.535 41.291 42.059 -0.387 0.000 1.436 462 L HN 0.729 nan 8.230 nan 0.000 0.416 463 D N -0.733 119.626 120.400 -0.069 0.000 2.402 463 D HA 0.093 4.733 4.640 0.001 0.000 0.216 463 D C 1.326 177.558 176.300 -0.113 0.000 1.128 463 D CA 0.208 54.151 54.000 -0.096 0.000 0.833 463 D CB 0.626 41.368 40.800 -0.096 0.000 0.971 463 D HN 0.372 nan 8.370 nan 0.000 0.503 464 G N 0.743 109.486 108.800 -0.095 0.000 2.155 464 G HA2 -0.365 3.596 3.960 0.001 0.000 0.257 464 G HA3 -0.365 3.596 3.960 0.001 0.000 0.257 464 G C 1.077 175.907 174.900 -0.117 0.000 0.983 464 G CA 0.853 45.913 45.100 -0.067 0.000 0.676 464 G HN 0.696 nan 8.290 nan 0.000 0.528 465 S N -0.342 115.182 115.700 -0.294 0.000 2.558 465 S HA 0.187 4.658 4.470 0.001 0.000 0.217 465 S C 0.815 175.209 174.600 -0.342 0.000 0.975 465 S CA 0.135 58.137 58.200 -0.329 0.000 0.912 465 S CB -0.010 62.963 63.200 -0.378 0.000 0.776 465 S HN 0.631 nan 8.310 nan 0.000 0.526 466 H N 3.180 122.262 119.070 0.020 0.000 2.487 466 H HA 0.417 4.974 4.556 0.001 0.000 0.333 466 H C -2.737 172.646 175.328 0.091 0.000 1.114 466 H CA -2.135 53.935 56.048 0.036 0.000 1.310 466 H CB 0.490 30.274 29.762 0.036 0.000 1.462 466 H HN 0.257 nan 8.280 nan 0.000 0.516 467 P HA 0.276 nan 4.420 nan 0.000 0.279 467 P C -0.871 176.688 177.300 0.432 0.000 1.239 467 P CA -0.371 62.904 63.100 0.292 0.000 0.789 467 P CB 1.200 33.070 31.700 0.284 0.000 0.933 468 A N 2.906 126.020 122.820 0.491 0.000 2.413 468 A HA 0.720 5.041 4.320 0.001 0.000 0.307 468 A C -1.719 176.171 177.584 0.511 0.000 1.087 468 A CA -0.622 51.725 52.037 0.517 0.000 0.750 468 A CB 1.224 20.414 19.000 0.316 0.000 1.296 468 A HN 0.485 nan 8.150 nan 0.000 0.423 469 F N 2.124 122.227 119.950 0.255 0.000 2.500 469 F HA 0.580 5.107 4.527 0.001 0.000 0.349 469 F C -1.116 174.754 175.800 0.117 0.000 1.127 469 F CA -0.824 57.197 58.000 0.034 0.000 0.998 469 F CB 1.480 40.304 39.000 -0.294 0.000 1.237 469 F HN 0.491 nan 8.300 nan 0.000 0.439 470 L N 8.097 129.277 121.223 -0.072 0.000 2.287 470 L HA 0.485 4.825 4.340 0.001 0.000 0.287 470 L C -1.929 174.981 176.870 0.068 0.000 1.022 470 L CA -0.644 54.212 54.840 0.026 0.000 0.814 470 L CB 0.886 42.897 42.059 -0.080 0.000 1.217 470 L HN 0.602 nan 8.230 nan 0.000 0.420 471 Y N 4.242 124.624 120.300 0.138 0.000 2.446 471 Y HA 0.840 5.391 4.550 0.001 0.000 0.338 471 Y C 0.054 176.131 175.900 0.296 0.000 1.055 471 Y CA -0.054 58.143 58.100 0.163 0.000 1.101 471 Y CB 2.012 40.591 38.460 0.198 0.000 1.221 471 Y HN 0.762 nan 8.280 nan 0.000 0.460 472 G N 3.011 111.409 108.800 -0.670 0.000 2.660 472 G HA2 0.308 4.268 3.960 0.001 0.000 0.290 472 G HA3 0.308 4.268 3.960 0.001 0.000 0.290 472 G C -2.061 172.411 174.900 -0.713 0.000 1.432 472 G CA -0.413 44.376 45.100 -0.519 0.000 0.807 472 G HN 0.642 nan 8.290 nan 0.000 0.485 473 Y N 0.050 120.078 120.300 -0.452 0.000 3.274 473 Y HA 0.471 5.022 4.550 0.001 0.000 0.174 473 Y C 1.465 177.226 175.900 -0.231 0.000 0.880 473 Y CA 1.538 59.452 58.100 -0.310 0.000 1.793 473 Y CB 0.478 38.872 38.460 -0.110 0.000 1.409 473 Y HN 1.763 nan 8.280 nan 0.000 0.368 474 G N 1.126 109.889 108.800 -0.062 0.000 2.546 474 G HA2 0.360 4.320 3.960 0.001 0.000 0.285 474 G HA3 0.360 4.320 3.960 0.001 0.000 0.285 474 G C 0.000 174.736 174.900 -0.273 0.000 1.105 474 G CA 0.466 45.465 45.100 -0.168 0.000 1.189 474 G HN 1.404 nan 8.290 nan 0.000 0.534 475 G N -1.121 107.633 108.800 -0.077 0.000 2.325 475 G HA2 0.618 4.578 3.960 0.001 0.000 0.297 475 G HA3 0.618 4.578 3.960 0.001 0.000 0.297 475 G C -0.003 174.981 174.900 0.140 0.000 1.448 475 G CA 0.181 45.191 45.100 -0.149 0.000 0.838 475 G HN 1.493 nan 8.290 nan 0.000 0.579 476 F N -0.384 119.540 119.950 -0.043 0.000 3.069 476 F HA -0.245 4.282 4.527 0.001 0.000 0.285 476 F C 1.331 176.923 175.800 -0.346 0.000 0.827 476 F CA 1.331 59.242 58.000 -0.149 0.000 1.108 476 F CB -1.510 37.460 39.000 -0.049 0.000 1.252 476 F HN 1.138 nan 8.300 nan 0.000 0.483 477 N N -0.481 117.932 118.700 -0.480 0.000 2.741 477 N HA -0.206 4.535 4.740 0.001 0.000 0.251 477 N C -0.501 174.984 175.510 -0.043 0.000 1.112 477 N CA 1.037 53.882 53.050 -0.342 0.000 0.750 477 N CB -0.647 37.554 38.487 -0.476 0.000 1.119 477 N HN 0.381 nan 8.380 nan 0.000 0.561 478 I N 0.782 121.393 120.570 0.070 0.000 2.342 478 I HA 0.177 4.348 4.170 0.001 0.000 0.291 478 I C 0.512 176.683 176.117 0.090 0.000 1.010 478 I CA -0.159 61.176 61.300 0.059 0.000 1.308 478 I CB 1.199 39.207 38.000 0.013 0.000 1.400 478 I HN 0.040 nan 8.210 nan 0.000 0.488 479 S N 6.820 122.547 115.700 0.045 0.000 2.475 479 S HA 0.461 4.932 4.470 0.001 0.000 0.281 479 S C 0.163 174.803 174.600 0.067 0.000 1.198 479 S CA -0.535 57.699 58.200 0.057 0.000 1.063 479 S CB 1.040 64.243 63.200 0.004 0.000 0.972 479 S HN 0.250 nan 8.310 nan 0.000 0.486 480 I N 4.875 125.523 120.570 0.130 0.000 2.256 480 I HA 0.175 4.345 4.170 0.001 0.000 0.294 480 I C 1.133 177.361 176.117 0.185 0.000 1.127 480 I CA -0.191 61.212 61.300 0.172 0.000 1.247 480 I CB -0.750 37.424 38.000 0.291 0.000 1.460 480 I HN 0.595 nan 8.210 nan 0.000 0.511 481 T N 4.210 118.817 114.554 0.090 0.000 2.936 481 T HA 0.595 4.946 4.350 0.001 0.000 0.282 481 T C -2.640 171.961 174.700 -0.166 0.000 1.003 481 T CA -2.210 59.914 62.100 0.041 0.000 1.005 481 T CB 1.395 70.265 68.868 0.003 0.000 1.097 481 T HN 0.144 nan 8.240 nan 0.000 0.532 482 P HA 0.181 nan 4.420 nan 0.000 0.264 482 P C -0.611 176.237 177.300 -0.752 0.000 1.183 482 P CA -0.005 62.374 63.100 -1.202 0.000 0.763 482 P CB 0.176 31.120 31.700 -1.260 0.000 0.807 483 N N 1.880 120.143 118.700 -0.729 0.000 2.396 483 N HA 0.144 4.884 4.740 0.001 0.000 0.275 483 N C -1.796 173.651 175.510 -0.106 0.000 1.218 483 N CA -0.747 52.134 53.050 -0.281 0.000 0.812 483 N CB 0.984 39.387 38.487 -0.140 0.000 1.592 483 N HN 0.168 nan 8.380 nan 0.000 0.480 484 Y N 0.948 121.184 120.300 -0.106 0.000 2.365 484 Y HA 0.415 4.966 4.550 0.001 0.000 0.340 484 Y C -0.263 175.671 175.900 0.057 0.000 1.016 484 Y CA -0.141 57.953 58.100 -0.010 0.000 1.196 484 Y CB 0.695 39.158 38.460 0.004 0.000 1.167 484 Y HN 0.622 nan 8.280 nan 0.000 0.509 485 S N 5.614 121.031 115.700 -0.471 0.000 2.756 485 S HA 0.345 4.815 4.470 0.001 0.000 0.303 485 S C 0.207 174.501 174.600 -0.511 0.000 1.135 485 S CA -0.726 57.259 58.200 -0.358 0.000 1.066 485 S CB 0.710 63.815 63.200 -0.159 0.000 1.008 485 S HN 0.612 nan 8.310 nan 0.000 0.482 486 V N 4.949 124.605 119.914 -0.431 0.000 2.407 486 V HA -0.139 3.982 4.120 0.001 0.000 0.248 486 V C 2.731 178.708 176.094 -0.194 0.000 1.055 486 V CA 2.474 64.615 62.300 -0.265 0.000 1.049 486 V CB -0.968 30.887 31.823 0.053 0.000 0.662 486 V HN 0.988 nan 8.190 nan 0.000 0.455 487 S N 0.737 116.344 115.700 -0.156 0.000 2.359 487 S HA -0.280 4.191 4.470 0.001 0.000 0.224 487 S C 2.060 176.525 174.600 -0.226 0.000 1.035 487 S CA 1.607 59.767 58.200 -0.066 0.000 1.018 487 S CB -0.529 62.723 63.200 0.087 0.000 0.876 487 S HN 0.586 nan 8.310 nan 0.000 0.448 488 R N 0.875 121.244 120.500 -0.219 0.000 2.092 488 R HA 0.208 4.548 4.340 0.001 0.000 0.231 488 R C 2.367 178.541 176.300 -0.210 0.000 1.119 488 R CA 1.280 57.229 56.100 -0.251 0.000 0.970 488 R CB -0.579 29.628 30.300 -0.156 0.000 0.864 488 R HN 0.418 nan 8.270 nan 0.000 0.440 489 L N 0.310 121.384 121.223 -0.248 0.000 2.201 489 L HA -0.119 4.221 4.340 0.001 0.000 0.212 489 L C 2.164 178.878 176.870 -0.260 0.000 1.105 489 L CA 0.976 55.638 54.840 -0.296 0.000 0.775 489 L CB -0.264 41.609 42.059 -0.310 0.000 0.913 489 L HN 0.193 nan 8.230 nan 0.000 0.440 490 I N -0.956 119.491 120.570 -0.205 0.000 2.315 490 I HA -0.297 3.873 4.170 0.001 0.000 0.248 490 I C 2.435 178.470 176.117 -0.138 0.000 1.117 490 I CA 1.149 62.367 61.300 -0.138 0.000 1.404 490 I CB -0.225 37.623 38.000 -0.253 0.000 1.071 490 I HN 0.166 nan 8.210 nan 0.000 0.419 491 F N 1.326 121.048 119.950 -0.379 0.000 2.134 491 F HA -0.186 4.341 4.527 0.001 0.000 0.299 491 F C 2.239 177.923 175.800 -0.194 0.000 1.097 491 F CA 1.531 59.331 58.000 -0.334 0.000 1.264 491 F CB -0.384 38.290 39.000 -0.542 0.000 1.001 491 F HN -0.230 nan 8.300 nan 0.000 0.479 492 V N 0.773 120.528 119.914 -0.265 0.000 2.270 492 V HA -0.258 3.863 4.120 0.001 0.000 0.245 492 V C 2.534 178.442 176.094 -0.310 0.000 1.043 492 V CA 2.269 64.375 62.300 -0.323 0.000 1.014 492 V CB -0.745 30.894 31.823 -0.307 0.000 0.645 492 V HN 0.277 nan 8.190 nan 0.000 0.447 493 R N -0.328 119.970 120.500 -0.336 0.000 2.062 493 R HA -0.083 4.257 4.340 0.001 0.000 0.229 493 R C 2.141 178.078 176.300 -0.604 0.000 1.128 493 R CA 1.745 57.618 56.100 -0.379 0.000 0.960 493 R CB -0.574 29.466 30.300 -0.433 0.000 0.855 493 R HN 0.616 nan 8.270 nan 0.000 0.432 494 H N -1.232 117.554 119.070 -0.473 0.000 2.575 494 H HA 0.254 4.811 4.556 0.001 0.000 0.267 494 H C 0.785 175.660 175.328 -0.755 0.000 0.966 494 H CA 0.776 56.307 56.048 -0.863 0.000 1.165 494 H CB 0.527 29.392 29.762 -1.494 0.000 1.433 494 H HN 0.246 nan 8.280 nan 0.000 0.544 495 M N -1.124 118.245 119.600 -0.385 0.000 2.340 495 M HA 0.227 4.707 4.480 0.001 0.000 0.345 495 M C 0.949 177.052 176.300 -0.330 0.000 1.008 495 M CA 0.107 55.250 55.300 -0.261 0.000 0.987 495 M CB 1.674 34.206 32.600 -0.114 0.000 1.598 495 M HN 0.202 nan 8.290 nan 0.000 0.569 496 G N 1.427 110.026 108.800 -0.335 0.000 2.225 496 G HA2 -0.214 3.747 3.960 0.001 0.000 0.267 496 G HA3 -0.214 3.747 3.960 0.001 0.000 0.267 496 G C 0.285 175.018 174.900 -0.279 0.000 1.024 496 G CA 0.130 45.092 45.100 -0.229 0.000 0.784 496 G HN 0.608 nan 8.290 nan 0.000 0.507 497 G N -1.824 106.589 108.800 -0.644 0.000 2.528 497 G HA2 0.646 4.606 3.960 0.001 0.000 0.289 497 G HA3 0.646 4.606 3.960 0.001 0.000 0.289 497 G C -0.306 174.504 174.900 -0.150 0.000 1.192 497 G CA -0.079 44.597 45.100 -0.705 0.000 0.921 497 G HN 0.893 nan 8.290 nan 0.000 0.512 498 V N 0.664 120.691 119.914 0.188 0.000 2.495 498 V HA 0.405 4.526 4.120 0.001 0.000 0.298 498 V C -0.390 175.936 176.094 0.387 0.000 1.031 498 V CA -0.678 61.772 62.300 0.250 0.000 0.871 498 V CB 1.409 33.373 31.823 0.235 0.000 0.988 498 V HN 0.645 nan 8.190 nan 0.000 0.432 499 L N 4.808 126.184 121.223 0.255 0.000 2.309 499 L HA 0.936 5.276 4.340 0.001 0.000 0.282 499 L C 0.005 176.943 176.870 0.112 0.000 1.036 499 L CA 0.088 55.067 54.840 0.232 0.000 0.806 499 L CB 1.360 43.478 42.059 0.098 0.000 1.220 499 L HN 0.799 nan 8.230 nan 0.000 0.429 500 A N 4.363 127.282 122.820 0.165 0.000 2.486 500 A HA 0.795 5.116 4.320 0.001 0.000 0.300 500 A C -1.736 175.975 177.584 0.212 0.000 1.048 500 A CA -0.540 51.559 52.037 0.105 0.000 0.696 500 A CB 1.837 20.865 19.000 0.048 0.000 1.278 500 A HN 0.492 nan 8.150 nan 0.000 0.405 501 V N 1.569 121.627 119.914 0.241 0.000 2.443 501 V HA 0.667 4.788 4.120 0.001 0.000 0.293 501 V C 0.309 176.606 176.094 0.338 0.000 1.021 501 V CA -0.291 62.241 62.300 0.387 0.000 0.848 501 V CB 1.430 33.553 31.823 0.500 0.000 0.998 501 V HN 1.347 nan 8.190 nan 0.000 0.424 502 A N 3.556 126.595 122.820 0.365 0.000 2.274 502 A HA 0.581 4.901 4.320 0.001 0.000 0.309 502 A C 0.157 177.948 177.584 0.345 0.000 1.226 502 A CA -0.518 51.733 52.037 0.357 0.000 0.853 502 A CB -0.005 19.255 19.000 0.433 0.000 1.146 502 A HN 0.888 nan 8.150 nan 0.000 0.518 503 N N 2.418 121.293 118.700 0.292 0.000 3.303 503 N HA 0.253 4.994 4.740 0.001 0.000 0.304 503 N C 0.289 176.079 175.510 0.468 0.000 1.302 503 N CA -0.202 53.039 53.050 0.317 0.000 1.213 503 N CB -0.051 38.550 38.487 0.190 0.000 1.481 503 N HN 0.790 nan 8.380 nan 0.000 0.546 504 I N -2.366 118.407 120.570 0.337 0.000 2.938 504 I HA 0.159 4.329 4.170 0.001 0.000 0.285 504 I C 0.571 176.687 176.117 -0.001 0.000 1.182 504 I CA -0.736 60.674 61.300 0.183 0.000 1.388 504 I CB 0.760 38.822 38.000 0.102 0.000 1.390 504 I HN 0.113 nan 8.210 nan 0.000 0.600 505 R N 2.265 122.486 120.500 -0.466 0.000 2.811 505 R HA 0.271 4.611 4.340 0.001 0.000 0.265 505 R C 1.143 177.173 176.300 -0.450 0.000 1.026 505 R CA 1.126 56.686 56.100 -0.899 0.000 1.142 505 R CB 0.143 29.854 30.300 -0.982 0.000 1.027 505 R HN 1.089 nan 8.270 nan 0.000 0.465 506 G N 0.106 108.695 108.800 -0.351 0.000 2.279 506 G HA2 -0.224 3.737 3.960 0.001 0.000 0.223 506 G HA3 -0.224 3.737 3.960 0.001 0.000 0.223 506 G C 0.499 175.440 174.900 0.069 0.000 1.015 506 G CA -0.262 44.741 45.100 -0.162 0.000 0.621 506 G HN 0.895 nan 8.290 nan 0.000 0.506 507 G N -0.384 108.505 108.800 0.147 0.000 2.588 507 G HA2 0.560 4.521 3.960 0.001 0.000 0.278 507 G HA3 0.560 4.521 3.960 0.001 0.000 0.278 507 G C 1.018 176.136 174.900 0.364 0.000 1.307 507 G CA 0.250 45.522 45.100 0.286 0.000 1.016 507 G HN 1.334 nan 8.290 nan 0.000 0.503 508 G N -1.499 107.443 108.800 0.237 0.000 3.575 508 G HA2 0.283 4.243 3.960 0.001 0.000 0.273 508 G HA3 0.283 4.243 3.960 0.001 0.000 0.273 508 G C 0.918 175.849 174.900 0.053 0.000 1.053 508 G CA 0.118 45.323 45.100 0.175 0.000 0.803 508 G HN 0.522 nan 8.290 nan 0.000 0.528 509 E N 0.128 120.290 120.200 -0.063 0.000 2.118 509 E HA -0.123 4.228 4.350 0.001 0.000 0.195 509 E C 0.272 176.357 176.600 -0.859 0.000 0.992 509 E CA 1.091 57.187 56.400 -0.506 0.000 0.804 509 E CB -0.143 29.159 29.700 -0.664 0.000 0.741 509 E HN 0.565 nan 8.360 nan 0.000 0.458 510 Y N -0.303 119.732 120.300 -0.441 0.000 2.722 510 Y HA 0.435 4.986 4.550 0.001 0.000 0.314 510 Y C 0.803 176.733 175.900 0.051 0.000 1.008 510 Y CA -0.030 57.905 58.100 -0.275 0.000 1.294 510 Y CB 0.696 38.824 38.460 -0.552 0.000 1.231 510 Y HN 0.110 nan 8.280 nan 0.000 0.558 511 G N 0.525 109.440 108.800 0.191 0.000 2.693 511 G HA2 -0.352 3.609 3.960 0.001 0.000 0.226 511 G HA3 -0.352 3.609 3.960 0.001 0.000 0.226 511 G C 0.657 175.733 174.900 0.294 0.000 1.354 511 G CA 0.155 45.415 45.100 0.267 0.000 0.873 511 G HN 0.298 nan 8.290 nan 0.000 0.562 512 E N -0.422 119.905 120.200 0.211 0.000 2.204 512 E HA -0.070 4.281 4.350 0.001 0.000 0.195 512 E C 2.749 179.451 176.600 0.171 0.000 0.990 512 E CA 2.694 59.206 56.400 0.187 0.000 0.821 512 E CB -0.450 29.281 29.700 0.052 0.000 0.750 512 E HN 0.955 nan 8.360 nan 0.000 0.477 513 T N -2.579 112.078 114.554 0.172 0.000 2.867 513 T HA -0.150 4.200 4.350 0.001 0.000 0.268 513 T C 1.818 176.644 174.700 0.210 0.000 1.057 513 T CA 0.847 63.033 62.100 0.144 0.000 1.136 513 T CB -0.771 68.180 68.868 0.137 0.000 0.874 513 T HN 0.398 nan 8.240 nan 0.000 0.466 514 W N 1.594 122.945 121.300 0.085 0.000 2.381 514 W HA -0.123 4.537 4.660 0.001 0.000 0.301 514 W C 2.334 178.895 176.519 0.069 0.000 1.205 514 W CA 1.315 58.716 57.345 0.093 0.000 1.285 514 W CB -0.401 29.160 29.460 0.167 0.000 1.133 514 W HN 0.508 nan 8.180 nan 0.000 0.521 515 H N 0.679 119.834 119.070 0.141 0.000 2.293 515 H HA -0.158 4.398 4.556 0.001 0.000 0.300 515 H C 2.102 177.344 175.328 -0.144 0.000 1.082 515 H CA 1.811 57.847 56.048 -0.020 0.000 1.308 515 H CB -0.086 29.689 29.762 0.022 0.000 1.375 515 H HN 0.033 nan 8.280 nan 0.000 0.495 516 K N -0.082 120.174 120.400 -0.240 0.000 2.280 516 K HA -0.069 4.252 4.320 0.001 0.000 0.202 516 K C 2.118 178.529 176.600 -0.314 0.000 1.047 516 K CA 0.764 56.842 56.287 -0.347 0.000 0.942 516 K CB -0.048 32.324 32.500 -0.213 0.000 0.739 516 K HN 0.364 nan 8.250 nan 0.000 0.457 517 G N 0.390 109.024 108.800 -0.276 0.000 2.848 517 G HA2 -0.062 3.898 3.960 0.001 0.000 0.208 517 G HA3 -0.062 3.898 3.960 0.001 0.000 0.208 517 G C 0.764 175.414 174.900 -0.416 0.000 1.152 517 G CA 0.495 45.395 45.100 -0.333 0.000 0.789 517 G HN 0.365 nan 8.290 nan 0.000 0.531 518 G N 0.241 108.784 108.800 -0.427 0.000 4.552 518 G HA2 0.503 4.463 3.960 0.001 0.000 0.281 518 G HA3 0.503 4.463 3.960 0.001 0.000 0.281 518 G C -0.068 174.549 174.900 -0.472 0.000 1.037 518 G CA -0.260 44.561 45.100 -0.464 0.000 0.806 518 G HN 0.497 nan 8.290 nan 0.000 0.495 519 I N -3.623 116.662 120.570 -0.476 0.000 3.191 519 I HA 0.715 4.886 4.170 0.001 0.000 0.313 519 I C 0.797 176.624 176.117 -0.484 0.000 1.193 519 I CA -1.300 59.719 61.300 -0.469 0.000 0.968 519 I CB 1.451 39.129 38.000 -0.536 0.000 1.262 519 I HN 0.073 nan 8.210 nan 0.000 0.456 520 L N 0.638 121.606 121.223 -0.425 0.000 5.891 520 L HA -0.393 3.947 4.340 0.001 0.000 0.053 520 L C 1.947 178.033 176.870 -1.308 0.000 2.528 520 L CA 1.379 55.814 54.840 -0.675 0.000 1.612 520 L CB -1.807 39.915 42.059 -0.563 0.000 2.817 520 L HN 0.975 nan 8.230 nan 0.000 0.990 521 A N -0.382 121.295 122.820 -1.904 0.000 2.070 521 A HA -0.101 4.219 4.320 0.001 0.000 0.220 521 A C 1.442 178.541 177.584 -0.809 0.000 1.159 521 A CA 2.132 53.112 52.037 -1.761 0.000 0.656 521 A CB -0.601 17.791 19.000 -1.014 0.000 0.800 521 A HN 0.691 nan 8.150 nan 0.000 0.453 522 N N -0.767 117.557 118.700 -0.628 0.000 2.270 522 N HA 0.010 4.751 4.740 0.001 0.000 0.198 522 N C 1.198 176.428 175.510 -0.467 0.000 1.117 522 N CA 0.522 53.302 53.050 -0.450 0.000 0.845 522 N CB 0.256 38.507 38.487 -0.393 0.000 0.980 522 N HN 0.389 nan 8.380 nan 0.000 0.486 523 K N 1.651 121.747 120.400 -0.506 0.000 2.113 523 K HA -0.178 4.142 4.320 0.001 0.000 0.208 523 K C 1.876 177.985 176.600 -0.818 0.000 1.047 523 K CA 1.201 57.108 56.287 -0.634 0.000 0.928 523 K CB -0.122 32.032 32.500 -0.575 0.000 0.716 523 K HN -0.019 nan 8.250 nan 0.000 0.446 524 Q N 0.627 120.132 119.800 -0.491 0.000 2.297 524 Q HA -0.104 4.236 4.340 0.001 0.000 0.208 524 Q C 1.270 177.084 176.000 -0.309 0.000 0.981 524 Q CA 1.612 57.257 55.803 -0.263 0.000 0.876 524 Q CB -0.354 28.370 28.738 -0.023 0.000 0.921 524 Q HN 0.375 nan 8.270 nan 0.000 0.446 525 N N -0.813 117.668 118.700 -0.365 0.000 2.166 525 N HA -0.143 4.598 4.740 0.001 0.000 0.186 525 N C 1.545 176.846 175.510 -0.348 0.000 1.019 525 N CA 1.396 54.262 53.050 -0.306 0.000 0.856 525 N CB -0.688 37.597 38.487 -0.336 0.000 0.993 525 N HN 0.347 nan 8.380 nan 0.000 0.426 526 C N 0.393 119.352 119.300 -0.567 0.000 2.413 526 C HA -0.097 4.364 4.460 0.001 0.000 0.277 526 C C 2.439 177.226 174.990 -0.339 0.000 1.228 526 C CA 0.322 59.003 59.018 -0.561 0.000 1.731 526 C CB -1.527 25.683 27.740 -0.884 0.000 2.042 526 C HN 0.300 nan 8.230 nan 0.000 0.468 527 F N 1.591 121.454 119.950 -0.145 0.000 2.134 527 F HA -0.085 4.442 4.527 0.001 0.000 0.299 527 F C 2.176 178.004 175.800 0.046 0.000 1.097 527 F CA 1.309 59.281 58.000 -0.047 0.000 1.264 527 F CB -1.333 37.609 39.000 -0.098 0.000 1.001 527 F HN 0.219 nan 8.300 nan 0.000 0.479 528 D N 0.358 120.842 120.400 0.139 0.000 2.097 528 D HA -0.152 4.489 4.640 0.001 0.000 0.195 528 D C 1.829 178.212 176.300 0.138 0.000 0.989 528 D CA 1.478 55.545 54.000 0.111 0.000 0.827 528 D CB -0.527 40.295 40.800 0.038 0.000 0.966 528 D HN 0.191 nan 8.370 nan 0.000 0.456 529 D N -0.178 120.285 120.400 0.105 0.000 2.104 529 D HA -0.157 4.484 4.640 0.001 0.000 0.194 529 D C 1.837 178.342 176.300 0.342 0.000 0.994 529 D CA 0.525 54.646 54.000 0.202 0.000 0.830 529 D CB -0.478 40.376 40.800 0.090 0.000 0.959 529 D HN 0.153 nan 8.370 nan 0.000 0.452 530 F N 1.385 121.404 119.950 0.115 0.000 2.146 530 F HA -0.114 4.414 4.527 0.001 0.000 0.298 530 F C 2.403 178.282 175.800 0.131 0.000 1.096 530 F CA 1.246 59.312 58.000 0.111 0.000 1.275 530 F CB -0.229 38.808 39.000 0.062 0.000 1.008 530 F HN -0.070 nan 8.300 nan 0.000 0.480 531 Q N -1.232 118.693 119.800 0.208 0.000 2.124 531 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 531 Q C 2.411 178.414 176.000 0.005 0.000 0.977 531 Q CA 1.891 57.770 55.803 0.125 0.000 0.850 531 Q CB -0.566 28.266 28.738 0.157 0.000 0.901 531 Q HN 0.411 nan 8.270 nan 0.000 0.429 532 C N 0.086 119.419 119.300 0.055 0.000 2.432 532 C HA -0.038 4.422 4.460 0.001 0.000 0.280 532 C C 2.777 177.595 174.990 -0.286 0.000 1.353 532 C CA 0.518 59.552 59.018 0.026 0.000 1.766 532 C CB -1.125 26.760 27.740 0.242 0.000 1.924 532 C HN 0.605 nan 8.230 nan 0.000 0.509 533 A N 0.756 123.294 122.820 -0.471 0.000 1.902 533 A HA 0.064 4.385 4.320 0.001 0.000 0.217 533 A C 2.384 179.728 177.584 -0.401 0.000 1.181 533 A CA 2.008 53.551 52.037 -0.823 0.000 0.623 533 A CB -0.887 17.816 19.000 -0.496 0.000 0.818 533 A HN 0.543 nan 8.150 nan 0.000 0.443 534 A N -0.114 122.528 122.820 -0.296 0.000 1.877 534 A HA -0.191 4.129 4.320 0.001 0.000 0.216 534 A C 1.905 179.416 177.584 -0.122 0.000 1.186 534 A CA 1.701 53.639 52.037 -0.165 0.000 0.620 534 A CB -0.605 18.346 19.000 -0.080 0.000 0.822 534 A HN 0.632 nan 8.150 nan 0.000 0.443 535 E N -1.773 118.354 120.200 -0.122 0.000 2.110 535 E HA -0.224 4.127 4.350 0.001 0.000 0.193 535 E C 1.825 178.401 176.600 -0.040 0.000 0.988 535 E CA 1.465 57.817 56.400 -0.079 0.000 0.804 535 E CB -0.306 29.363 29.700 -0.051 0.000 0.745 535 E HN 0.815 nan 8.360 nan 0.000 0.458 536 Y N 1.321 121.517 120.300 -0.173 0.000 2.163 536 Y HA -0.192 4.359 4.550 0.001 0.000 0.288 536 Y C 1.946 177.831 175.900 -0.025 0.000 1.136 536 Y CA 1.382 59.412 58.100 -0.116 0.000 1.147 536 Y CB -0.128 38.181 38.460 -0.252 0.000 0.987 536 Y HN -0.067 nan 8.280 nan 0.000 0.509 537 L N -0.340 120.934 121.223 0.086 0.000 2.079 537 L HA -0.245 4.096 4.340 0.001 0.000 0.210 537 L C 2.331 179.249 176.870 0.081 0.000 1.081 537 L CA 1.471 56.384 54.840 0.122 0.000 0.752 537 L CB -0.544 41.565 42.059 0.083 0.000 0.896 537 L HN 0.317 nan 8.230 nan 0.000 0.433 538 I N -0.291 120.276 120.570 -0.005 0.000 2.193 538 I HA -0.270 3.900 4.170 0.001 0.000 0.240 538 I C 2.685 178.763 176.117 -0.066 0.000 1.084 538 I CA 1.207 62.490 61.300 -0.027 0.000 1.365 538 I CB -0.239 37.728 38.000 -0.055 0.000 1.064 538 I HN 0.174 nan 8.210 nan 0.000 0.410 539 K N 0.852 121.189 120.400 -0.104 0.000 2.097 539 K HA -0.184 4.137 4.320 0.001 0.000 0.206 539 K C 1.732 178.231 176.600 -0.170 0.000 1.049 539 K CA 1.348 57.560 56.287 -0.125 0.000 0.933 539 K CB 0.119 32.548 32.500 -0.118 0.000 0.717 539 K HN 0.148 nan 8.250 nan 0.000 0.442 540 E N -0.660 119.385 120.200 -0.257 0.000 2.502 540 E HA 0.006 4.356 4.350 0.001 0.000 0.194 540 E C 0.926 177.373 176.600 -0.255 0.000 1.062 540 E CA 0.835 57.070 56.400 -0.276 0.000 0.867 540 E CB 0.525 29.981 29.700 -0.407 0.000 0.888 540 E HN 0.603 nan 8.360 nan 0.000 0.510 541 G N 0.729 109.432 108.800 -0.161 0.000 2.141 541 G HA2 -0.337 3.623 3.960 0.001 0.000 0.242 541 G HA3 -0.337 3.623 3.960 0.001 0.000 0.242 541 G C 0.672 175.490 174.900 -0.137 0.000 0.982 541 G CA 0.393 45.399 45.100 -0.157 0.000 0.662 541 G HN 0.325 nan 8.290 nan 0.000 0.527 542 Y N 0.059 120.353 120.300 -0.010 0.000 2.395 542 Y HA 0.372 4.923 4.550 0.001 0.000 0.293 542 Y C 2.015 177.995 175.900 0.133 0.000 1.123 542 Y CA 1.928 60.061 58.100 0.055 0.000 1.227 542 Y CB 0.377 38.855 38.460 0.032 0.000 1.012 542 Y HN 0.417 nan 8.280 nan 0.000 0.552 543 T N -2.387 112.293 114.554 0.210 0.000 2.653 543 T HA 0.567 4.918 4.350 0.001 0.000 0.306 543 T C -1.298 173.441 174.700 0.065 0.000 1.426 543 T CA -0.671 61.520 62.100 0.151 0.000 1.008 543 T CB 1.013 69.994 68.868 0.189 0.000 1.692 543 T HN -0.146 nan 8.240 nan 0.000 0.483 544 S N 0.792 116.522 115.700 0.051 0.000 2.595 544 S HA 0.536 5.007 4.470 0.001 0.000 0.281 544 S C -2.137 172.473 174.600 0.015 0.000 1.117 544 S CA -0.997 57.210 58.200 0.012 0.000 0.873 544 S CB 1.979 65.178 63.200 -0.003 0.000 1.108 544 S HN 0.529 nan 8.310 nan 0.000 0.477 545 P HA -0.202 nan 4.420 nan 0.000 0.215 545 P C 0.873 178.182 177.300 0.016 0.000 1.163 545 P CA 1.578 64.653 63.100 -0.043 0.000 0.894 545 P CB 0.005 31.652 31.700 -0.087 0.000 0.791 546 K N -0.465 119.948 120.400 0.022 0.000 2.442 546 K HA -0.071 4.249 4.320 0.001 0.000 0.198 546 K C 1.491 178.139 176.600 0.080 0.000 1.042 546 K CA 1.294 57.609 56.287 0.048 0.000 0.958 546 K CB -0.757 31.764 32.500 0.034 0.000 0.766 546 K HN 0.167 nan 8.250 nan 0.000 0.474 547 R N 0.009 120.564 120.500 0.092 0.000 2.397 547 R HA 0.256 4.596 4.340 0.001 0.000 0.241 547 R C -0.472 175.942 176.300 0.190 0.000 0.914 547 R CA -0.413 55.768 56.100 0.136 0.000 1.071 547 R CB 0.177 30.548 30.300 0.119 0.000 1.116 547 R HN 0.065 nan 8.270 nan 0.000 0.524 548 L N 1.269 122.593 121.223 0.169 0.000 2.275 548 L HA 0.319 4.659 4.340 0.001 0.000 0.288 548 L C -0.685 176.309 176.870 0.208 0.000 1.046 548 L CA 0.392 55.350 54.840 0.198 0.000 0.805 548 L CB 1.694 43.856 42.059 0.172 0.000 1.193 548 L HN -0.129 nan 8.230 nan 0.000 0.426 549 T N 6.671 121.328 114.554 0.172 0.000 2.823 549 T HA 0.633 4.984 4.350 0.001 0.000 0.279 549 T C -0.239 174.386 174.700 -0.124 0.000 0.998 549 T CA -0.280 61.861 62.100 0.067 0.000 0.994 549 T CB 0.953 69.883 68.868 0.105 0.000 0.960 549 T HN 0.578 nan 8.240 nan 0.000 0.448 550 I N 1.132 121.581 120.570 -0.202 0.000 2.603 550 I HA 0.709 4.879 4.170 0.001 0.000 0.300 550 I C -0.449 175.464 176.117 -0.340 0.000 1.017 550 I CA -0.815 60.318 61.300 -0.278 0.000 1.098 550 I CB 1.998 39.832 38.000 -0.277 0.000 1.279 550 I HN 0.495 nan 8.210 nan 0.000 0.437 551 N N 2.876 121.360 118.700 -0.361 0.000 2.331 551 N HA 0.735 5.476 4.740 0.001 0.000 0.280 551 N C -1.332 174.037 175.510 -0.235 0.000 1.155 551 N CA -0.397 52.484 53.050 -0.282 0.000 0.822 551 N CB 2.817 41.072 38.487 -0.386 0.000 1.619 551 N HN 1.094 nan 8.380 nan 0.000 0.476 552 G N -0.028 108.657 108.800 -0.191 0.000 2.673 552 G HA2 0.601 4.561 3.960 0.001 0.000 0.292 552 G HA3 0.601 4.561 3.960 0.001 0.000 0.292 552 G C -1.496 173.350 174.900 -0.090 0.000 1.450 552 G CA -0.619 44.313 45.100 -0.280 0.000 0.837 552 G HN 0.578 nan 8.290 nan 0.000 0.505 553 G N -0.654 108.141 108.800 -0.009 0.000 2.566 553 G HA2 0.662 4.622 3.960 0.001 0.000 0.311 553 G HA3 0.662 4.622 3.960 0.001 0.000 0.311 553 G C 0.285 175.185 174.900 0.001 0.000 1.322 553 G CA 0.954 46.050 45.100 -0.006 0.000 0.969 553 G HN 1.793 nan 8.290 nan 0.000 0.490 554 S N 1.161 116.823 115.700 -0.064 0.000 4.151 554 S HA -0.371 4.100 4.470 0.001 0.000 0.617 554 S C 2.046 176.549 174.600 -0.161 0.000 1.878 554 S CA 1.898 60.062 58.200 -0.060 0.000 4.245 554 S CB -1.401 61.828 63.200 0.048 0.000 0.205 554 S HN 1.244 nan 8.310 nan 0.000 0.468 555 N N 1.359 119.932 118.700 -0.212 0.000 2.289 555 N HA 0.013 4.754 4.740 0.001 0.000 0.184 555 N C 1.542 176.801 175.510 -0.418 0.000 1.016 555 N CA 2.380 55.228 53.050 -0.337 0.000 0.872 555 N CB -0.876 37.310 38.487 -0.501 0.000 0.973 555 N HN 0.583 nan 8.380 nan 0.000 0.433 556 G N -1.042 107.550 108.800 -0.346 0.000 2.448 556 G HA2 -0.065 3.895 3.960 0.001 0.000 0.218 556 G HA3 -0.065 3.895 3.960 0.001 0.000 0.218 556 G C 1.421 176.157 174.900 -0.274 0.000 1.135 556 G CA 0.536 45.448 45.100 -0.313 0.000 0.784 556 G HN 0.428 nan 8.290 nan 0.000 0.543 557 G N 1.030 109.712 108.800 -0.198 0.000 2.402 557 G HA2 -0.096 3.864 3.960 0.001 0.000 0.216 557 G HA3 -0.096 3.864 3.960 0.001 0.000 0.216 557 G C 1.714 176.485 174.900 -0.214 0.000 1.162 557 G CA 0.983 45.977 45.100 -0.177 0.000 0.777 557 G HN 0.416 nan 8.290 nan 0.000 0.539 558 L N 0.413 121.498 121.223 -0.229 0.000 2.012 558 L HA 0.017 4.357 4.340 0.001 0.000 0.210 558 L C 2.513 179.274 176.870 -0.182 0.000 1.073 558 L CA 1.832 56.538 54.840 -0.224 0.000 0.748 558 L CB -0.695 41.249 42.059 -0.192 0.000 0.891 558 L HN 0.187 nan 8.230 nan 0.000 0.431 559 L N -0.348 120.776 121.223 -0.166 0.000 1.971 559 L HA -0.174 4.166 4.340 0.001 0.000 0.215 559 L C 2.568 179.308 176.870 -0.217 0.000 1.072 559 L CA 2.515 57.273 54.840 -0.136 0.000 0.758 559 L CB -0.915 40.900 42.059 -0.407 0.000 0.889 559 L HN 0.352 nan 8.230 nan 0.000 0.433 560 V N -2.494 117.256 119.914 -0.274 0.000 2.548 560 V HA -0.026 4.094 4.120 0.001 0.000 0.249 560 V C 2.455 178.446 176.094 -0.172 0.000 1.055 560 V CA 1.314 63.476 62.300 -0.229 0.000 1.065 560 V CB -1.715 29.969 31.823 -0.231 0.000 0.681 560 V HN 0.474 nan 8.190 nan 0.000 0.462 561 A N 0.858 123.584 122.820 -0.157 0.000 1.898 561 A HA -0.112 4.208 4.320 0.001 0.000 0.216 561 A C 2.345 179.865 177.584 -0.106 0.000 1.181 561 A CA 2.444 54.435 52.037 -0.076 0.000 0.620 561 A CB -1.257 17.560 19.000 -0.306 0.000 0.819 561 A HN 0.542 nan 8.150 nan 0.000 0.442 562 T N -0.736 113.654 114.554 -0.274 0.000 2.746 562 T HA -0.177 4.173 4.350 0.001 0.000 0.267 562 T C 1.889 176.439 174.700 -0.251 0.000 1.039 562 T CA 1.600 63.462 62.100 -0.397 0.000 1.142 562 T CB -0.649 67.604 68.868 -1.025 0.000 0.866 562 T HN 0.562 nan 8.240 nan 0.000 0.444 563 C N 1.633 120.833 119.300 -0.167 0.000 2.422 563 C HA 0.095 4.556 4.460 0.001 0.000 0.279 563 C C 3.183 178.232 174.990 0.099 0.000 1.305 563 C CA 0.255 59.287 59.018 0.024 0.000 1.757 563 C CB -1.448 26.332 27.740 0.067 0.000 1.962 563 C HN 0.653 nan 8.230 nan 0.000 0.499 564 A N 1.281 124.090 122.820 -0.019 0.000 1.902 564 A HA -0.165 4.155 4.320 0.001 0.000 0.217 564 A C 1.947 179.430 177.584 -0.168 0.000 1.181 564 A CA 1.842 53.869 52.037 -0.016 0.000 0.623 564 A CB -0.527 18.494 19.000 0.033 0.000 0.818 564 A HN 0.628 nan 8.150 nan 0.000 0.443 565 N N -0.167 118.512 118.700 -0.035 0.000 2.142 565 N HA -0.125 4.616 4.740 0.001 0.000 0.186 565 N C 1.921 177.410 175.510 -0.035 0.000 1.023 565 N CA 1.547 54.601 53.050 0.006 0.000 0.852 565 N CB -0.401 38.161 38.487 0.125 0.000 0.998 565 N HN 0.669 nan 8.380 nan 0.000 0.424 566 Q N -0.340 119.447 119.800 -0.021 0.000 2.137 566 Q HA 0.111 4.452 4.340 0.001 0.000 0.198 566 Q C 0.082 176.084 176.000 0.002 0.000 0.960 566 Q CA 0.818 56.621 55.803 -0.000 0.000 0.847 566 Q CB 0.445 29.184 28.738 0.003 0.000 0.915 566 Q HN 0.057 nan 8.270 nan 0.000 0.448 567 R N 0.322 120.838 120.500 0.027 0.000 2.653 567 R HA 0.182 4.522 4.340 0.001 0.000 0.269 567 R C -2.236 174.027 176.300 -0.063 0.000 1.603 567 R CA -1.464 54.618 56.100 -0.029 0.000 1.671 567 R CB 0.760 31.031 30.300 -0.048 0.000 1.300 567 R HN 0.119 nan 8.270 nan 0.000 0.668 568 P HA -0.160 nan 4.420 nan 0.000 0.222 568 P C 0.622 177.851 177.300 -0.118 0.000 1.147 568 P CA 1.141 64.139 63.100 -0.170 0.000 0.790 568 P CB 0.292 31.744 31.700 -0.415 0.000 0.780 569 D N -0.586 119.724 120.400 -0.150 0.000 2.348 569 D HA -0.103 4.538 4.640 0.001 0.000 0.216 569 D C 1.693 177.842 176.300 -0.253 0.000 0.970 569 D CA 0.384 54.296 54.000 -0.148 0.000 0.889 569 D CB -0.597 40.133 40.800 -0.117 0.000 0.912 569 D HN 0.131 nan 8.370 nan 0.000 0.524 570 L N -0.751 120.173 121.223 -0.499 0.000 2.529 570 L HA 0.259 4.599 4.340 0.001 0.000 0.223 570 L C -0.373 175.956 176.870 -0.902 0.000 1.113 570 L CA 0.413 54.767 54.840 -0.810 0.000 0.861 570 L CB -0.055 41.266 42.059 -1.230 0.000 1.012 570 L HN -0.172 nan 8.230 nan 0.000 0.461 571 F N -2.485 117.443 119.950 -0.036 0.000 2.563 571 F HA 0.587 5.115 4.527 0.001 0.000 0.316 571 F C 1.243 177.048 175.800 0.009 0.000 1.076 571 F CA -0.735 57.255 58.000 -0.016 0.000 0.921 571 F CB 1.177 40.166 39.000 -0.019 0.000 1.209 571 F HN -0.287 nan 8.300 nan 0.000 0.462 572 G N -0.554 108.377 108.800 0.219 0.000 2.608 572 G HA2 0.165 4.126 3.960 0.001 0.000 0.210 572 G HA3 0.165 4.126 3.960 0.001 0.000 0.210 572 G C -0.472 174.525 174.900 0.161 0.000 1.139 572 G CA 0.311 45.502 45.100 0.152 0.000 0.812 572 G HN 0.637 nan 8.290 nan 0.000 0.529 573 C N -0.037 119.373 119.300 0.183 0.000 2.880 573 C HA 0.718 5.179 4.460 0.001 0.000 0.320 573 C C -1.355 173.710 174.990 0.124 0.000 1.176 573 C CA -0.607 58.519 59.018 0.180 0.000 1.390 573 C CB 1.206 29.055 27.740 0.181 0.000 1.846 573 C HN 0.090 nan 8.230 nan 0.000 0.478 574 V N 6.234 126.223 119.914 0.124 0.000 2.525 574 V HA 0.529 4.649 4.120 0.001 0.000 0.299 574 V C -0.561 175.539 176.094 0.010 0.000 1.034 574 V CA -0.241 62.059 62.300 0.001 0.000 0.863 574 V CB 1.679 33.489 31.823 -0.022 0.000 0.999 574 V HN 0.729 nan 8.190 nan 0.000 0.423 575 I N 4.194 124.728 120.570 -0.060 0.000 2.382 575 I HA 0.727 4.897 4.170 0.001 0.000 0.285 575 I C 0.199 176.261 176.117 -0.091 0.000 1.007 575 I CA -0.518 60.732 61.300 -0.084 0.000 1.142 575 I CB 1.786 39.742 38.000 -0.073 0.000 1.289 575 I HN 0.675 nan 8.210 nan 0.000 0.453 576 A N 6.242 129.016 122.820 -0.078 0.000 2.273 576 A HA 0.644 4.964 4.320 0.001 0.000 0.315 576 A C -0.597 176.951 177.584 -0.060 0.000 1.256 576 A CA -0.502 51.493 52.037 -0.070 0.000 0.851 576 A CB 0.770 19.744 19.000 -0.045 0.000 1.172 576 A HN 0.708 nan 8.150 nan 0.000 0.508 577 Q N 1.259 121.024 119.800 -0.059 0.000 2.278 577 Q HA 0.442 4.782 4.340 0.001 0.000 0.257 577 Q C 0.472 176.435 176.000 -0.062 0.000 0.928 577 Q CA -0.299 55.470 55.803 -0.056 0.000 0.932 577 Q CB 1.964 30.673 28.738 -0.048 0.000 1.221 577 Q HN 1.561 nan 8.270 nan 0.000 0.434 578 V N 0.238 120.128 119.914 -0.040 0.000 5.482 578 V HA -0.244 3.876 4.120 0.001 0.000 0.262 578 V C 0.334 176.422 176.094 -0.010 0.000 0.664 578 V CA 0.803 63.105 62.300 0.003 0.000 0.609 578 V CB -2.331 29.503 31.823 0.019 0.000 0.306 578 V HN 0.805 nan 8.190 nan 0.000 0.731 579 G N 0.089 108.861 108.800 -0.047 0.000 2.503 579 G HA2 0.527 4.487 3.960 0.001 0.000 0.257 579 G HA3 0.527 4.487 3.960 0.001 0.000 0.257 579 G C -0.228 174.555 174.900 -0.196 0.000 1.214 579 G CA -0.209 44.818 45.100 -0.122 0.000 0.839 579 G HN 1.212 nan 8.290 nan 0.000 0.559 580 V N 3.674 123.401 119.914 -0.312 0.000 2.372 580 V HA 0.104 4.225 4.120 0.001 0.000 0.261 580 V C 0.641 176.526 176.094 -0.348 0.000 1.055 580 V CA -0.242 61.744 62.300 -0.523 0.000 0.930 580 V CB 1.099 32.654 31.823 -0.446 0.000 1.031 580 V HN 0.712 nan 8.190 nan 0.000 0.479 581 M N 1.254 120.749 119.600 -0.174 0.000 2.571 581 M HA 0.270 4.751 4.480 0.001 0.000 0.259 581 M C 0.605 176.920 176.300 0.025 0.000 1.205 581 M CA 0.395 55.590 55.300 -0.175 0.000 1.138 581 M CB -0.153 32.253 32.600 -0.323 0.000 1.329 581 M HN 0.530 nan 8.290 nan 0.000 0.503 582 D N 1.712 122.356 120.400 0.406 0.000 2.456 582 D HA 0.218 4.859 4.640 0.001 0.000 0.219 582 D C 0.746 177.328 176.300 0.470 0.000 1.126 582 D CA -0.021 54.195 54.000 0.359 0.000 0.890 582 D CB 0.848 41.815 40.800 0.278 0.000 1.025 582 D HN -0.050 nan 8.370 nan 0.000 0.511 583 M N 2.971 122.757 119.600 0.311 0.000 2.562 583 M HA 0.020 4.501 4.480 0.001 0.000 0.257 583 M C 1.590 178.144 176.300 0.424 0.000 1.099 583 M CA 0.462 55.965 55.300 0.338 0.000 1.099 583 M CB -0.208 32.366 32.600 -0.043 0.000 1.427 583 M HN 0.462 nan 8.290 nan 0.000 0.489 584 L N -0.738 120.652 121.223 0.279 0.000 2.307 584 L HA -0.076 4.264 4.340 0.001 0.000 0.211 584 L C 1.689 178.753 176.870 0.323 0.000 1.099 584 L CA 0.824 55.774 54.840 0.184 0.000 0.816 584 L CB -0.183 41.794 42.059 -0.135 0.000 0.952 584 L HN 0.262 nan 8.230 nan 0.000 0.455 585 K N -0.525 120.058 120.400 0.306 0.000 2.402 585 K HA 0.094 4.414 4.320 0.001 0.000 0.204 585 K C 1.626 178.253 176.600 0.044 0.000 1.056 585 K CA -0.047 56.303 56.287 0.106 0.000 1.069 585 K CB 0.391 33.009 32.500 0.196 0.000 0.888 585 K HN 0.102 nan 8.250 nan 0.000 0.546 586 F N 2.084 122.284 119.950 0.416 0.000 2.154 586 F HA -0.269 4.258 4.527 0.001 0.000 0.301 586 F C 2.122 178.071 175.800 0.247 0.000 1.087 586 F CA 1.478 59.797 58.000 0.531 0.000 1.274 586 F CB -0.953 38.424 39.000 0.627 0.000 1.009 586 F HN 0.140 nan 8.300 nan 0.000 0.485 587 H N 0.584 119.134 119.070 -0.867 0.000 2.546 587 H HA 0.077 4.633 4.556 0.001 0.000 0.277 587 H C 1.168 176.305 175.328 -0.319 0.000 1.004 587 H CA 1.157 56.867 56.048 -0.564 0.000 1.231 587 H CB -0.718 28.660 29.762 -0.639 0.000 1.382 587 H HN 0.435 nan 8.280 nan 0.000 0.580 588 K N 0.180 120.038 120.400 -0.903 0.000 2.365 588 K HA 0.047 4.367 4.320 0.001 0.000 0.197 588 K C -0.393 175.747 176.600 -0.766 0.000 1.042 588 K CA 0.281 56.038 56.287 -0.884 0.000 0.987 588 K CB 0.236 32.054 32.500 -1.137 0.000 0.779 588 K HN 0.221 nan 8.250 nan 0.000 0.484 589 Y N 1.023 121.258 120.300 -0.108 0.000 2.387 589 Y HA 0.047 4.597 4.550 0.001 0.000 0.336 589 Y C 1.486 177.351 175.900 -0.060 0.000 1.067 589 Y CA -0.862 57.213 58.100 -0.042 0.000 1.114 589 Y CB 1.124 39.588 38.460 0.008 0.000 1.208 589 Y HN 0.182 nan 8.280 nan 0.000 0.458 590 T N -0.286 114.346 114.554 0.131 0.000 6.609 590 T HA -0.410 3.941 4.350 0.001 0.000 0.204 590 T C 0.912 175.574 174.700 -0.062 0.000 1.650 590 T CA 1.839 63.967 62.100 0.047 0.000 1.250 590 T CB -1.098 67.808 68.868 0.063 0.000 1.462 590 T HN 0.613 nan 8.240 nan 0.000 0.418 591 I N 2.634 123.090 120.570 -0.189 0.000 3.812 591 I HA 0.462 4.633 4.170 0.001 0.000 0.320 591 I C 2.228 177.751 176.117 -0.990 0.000 1.276 591 I CA 0.654 61.659 61.300 -0.491 0.000 1.164 591 I CB -0.709 37.092 38.000 -0.332 0.000 1.009 591 I HN 0.748 nan 8.210 nan 0.000 0.431 592 G N 0.304 108.533 108.800 -0.952 0.000 2.479 592 G HA2 -0.345 3.615 3.960 0.001 0.000 0.220 592 G HA3 -0.345 3.615 3.960 0.001 0.000 0.220 592 G C 1.420 175.956 174.900 -0.607 0.000 1.115 592 G CA 1.296 45.594 45.100 -1.336 0.000 0.757 592 G HN 0.709 nan 8.290 nan 0.000 0.560 593 H N -0.400 118.493 119.070 -0.295 0.000 2.456 593 H HA 0.315 4.871 4.556 0.001 0.000 0.296 593 H C 2.349 177.658 175.328 -0.033 0.000 1.079 593 H CA 1.097 57.096 56.048 -0.081 0.000 1.322 593 H CB -0.507 29.217 29.762 -0.064 0.000 1.388 593 H HN 0.260 nan 8.280 nan 0.000 0.538 594 A N 0.665 123.195 122.820 -0.483 0.000 2.066 594 A HA -0.056 4.265 4.320 0.001 0.000 0.218 594 A C 1.177 178.867 177.584 0.176 0.000 1.157 594 A CA 0.830 52.768 52.037 -0.166 0.000 0.670 594 A CB -0.742 18.065 19.000 -0.321 0.000 0.804 594 A HN 0.589 nan 8.150 nan 0.000 0.453 595 W N 0.728 122.157 121.300 0.216 0.000 3.047 595 W HA 0.053 4.713 4.660 0.001 0.000 0.250 595 W C 2.083 178.743 176.519 0.236 0.000 1.314 595 W CA 0.899 58.393 57.345 0.249 0.000 1.540 595 W CB -1.699 27.891 29.460 0.217 0.000 1.127 595 W HN 0.531 nan 8.180 nan 0.000 0.679 596 T N -2.268 112.618 114.554 0.553 0.000 2.977 596 T HA -0.192 4.158 4.350 0.001 0.000 0.271 596 T C 1.704 176.553 174.700 0.247 0.000 1.105 596 T CA 1.930 64.322 62.100 0.486 0.000 1.116 596 T CB -0.722 68.370 68.868 0.373 0.000 0.878 596 T HN 0.158 nan 8.240 nan 0.000 0.509 597 T N -1.116 113.529 114.554 0.152 0.000 2.995 597 T HA -0.018 4.332 4.350 0.001 0.000 0.269 597 T C 1.411 176.048 174.700 -0.106 0.000 1.091 597 T CA 1.224 63.347 62.100 0.037 0.000 1.128 597 T CB -0.318 68.570 68.868 0.034 0.000 0.891 597 T HN 0.324 nan 8.240 nan 0.000 0.492 598 D N -0.234 120.010 120.400 -0.260 0.000 2.323 598 D HA 0.159 4.800 4.640 0.001 0.000 0.218 598 D C 1.168 177.270 176.300 -0.331 0.000 0.973 598 D CA 0.522 54.174 54.000 -0.581 0.000 0.890 598 D CB 0.083 40.017 40.800 -1.444 0.000 1.011 598 D HN 0.435 nan 8.370 nan 0.000 0.499 599 Y N -0.108 120.190 120.300 -0.004 0.000 2.503 599 Y HA 0.421 4.971 4.550 0.001 0.000 0.277 599 Y C 1.513 177.571 175.900 0.263 0.000 1.102 599 Y CA 0.349 58.515 58.100 0.109 0.000 1.261 599 Y CB 0.060 38.552 38.460 0.054 0.000 1.096 599 Y HN -0.040 nan 8.280 nan 0.000 0.546 600 G N -0.369 108.669 108.800 0.397 0.000 2.685 600 G HA2 -0.139 3.822 3.960 0.001 0.000 0.387 600 G HA3 -0.139 3.822 3.960 0.001 0.000 0.387 600 G C -1.179 174.021 174.900 0.500 0.000 1.324 600 G CA -0.980 44.270 45.100 0.251 0.000 0.878 600 G HN 0.476 nan 8.290 nan 0.000 0.527 601 C N 0.006 119.603 119.300 0.494 0.000 2.608 601 C HA 0.746 5.206 4.460 0.001 0.000 0.325 601 C C 1.933 176.965 174.990 0.070 0.000 1.147 601 C CA 0.735 59.820 59.018 0.112 0.000 1.359 601 C CB 0.806 28.488 27.740 -0.096 0.000 1.912 601 C HN 2.126 nan 8.230 nan 0.000 0.466 602 S N 1.939 117.658 115.700 0.033 0.000 2.500 602 S HA -0.137 4.333 4.470 0.001 0.000 0.239 602 S C 0.846 175.632 174.600 0.309 0.000 0.989 602 S CA 1.719 60.078 58.200 0.265 0.000 0.951 602 S CB -0.294 63.144 63.200 0.397 0.000 0.759 602 S HN 0.870 nan 8.310 nan 0.000 0.523 603 D N 1.781 122.222 120.400 0.068 0.000 2.264 603 D HA 0.047 4.687 4.640 0.001 0.000 0.208 603 D C 0.866 177.227 176.300 0.102 0.000 0.966 603 D CA 0.765 54.815 54.000 0.082 0.000 0.864 603 D CB -0.188 40.591 40.800 -0.036 0.000 0.933 603 D HN 0.509 nan 8.370 nan 0.000 0.499 604 S N -0.067 115.587 115.700 -0.077 0.000 2.480 604 S HA 0.193 4.663 4.470 0.001 0.000 0.286 604 S C 1.018 175.322 174.600 -0.493 0.000 1.180 604 S CA -0.766 57.233 58.200 -0.335 0.000 1.075 604 S CB 2.021 64.799 63.200 -0.704 0.000 0.996 604 S HN -0.056 nan 8.310 nan 0.000 0.487 605 K N 3.253 123.172 120.400 -0.803 0.000 2.057 605 K HA -0.157 4.164 4.320 0.001 0.000 0.207 605 K C 2.120 178.467 176.600 -0.421 0.000 1.049 605 K CA 1.711 57.447 56.287 -0.918 0.000 0.931 605 K CB -0.283 31.817 32.500 -0.666 0.000 0.714 605 K HN 0.820 nan 8.250 nan 0.000 0.440 606 Q N -0.207 119.342 119.800 -0.418 0.000 2.050 606 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 606 Q C 1.788 177.312 176.000 -0.793 0.000 0.980 606 Q CA 1.879 57.418 55.803 -0.439 0.000 0.840 606 Q CB -0.116 28.421 28.738 -0.335 0.000 0.898 606 Q HN 0.651 nan 8.270 nan 0.000 0.424 607 H N -1.249 117.268 119.070 -0.921 0.000 2.357 607 H HA -0.124 4.433 4.556 0.001 0.000 0.301 607 H C 1.931 176.985 175.328 -0.455 0.000 1.082 607 H CA 0.824 56.262 56.048 -1.017 0.000 1.342 607 H CB -0.116 29.360 29.762 -0.477 0.000 1.389 607 H HN 0.312 nan 8.280 nan 0.000 0.511 608 F N 2.583 122.396 119.950 -0.229 0.000 2.126 608 F HA -0.211 4.316 4.527 0.001 0.000 0.299 608 F C 2.163 177.864 175.800 -0.166 0.000 1.096 608 F CA 1.229 59.151 58.000 -0.129 0.000 1.255 608 F CB -0.006 38.997 39.000 0.005 0.000 0.997 608 F HN 0.008 nan 8.300 nan 0.000 0.479 609 E N -0.147 119.917 120.200 -0.226 0.000 2.153 609 E HA -0.214 4.137 4.350 0.001 0.000 0.194 609 E C 2.112 178.649 176.600 -0.106 0.000 0.988 609 E CA 1.268 57.542 56.400 -0.210 0.000 0.811 609 E CB -0.662 28.996 29.700 -0.070 0.000 0.746 609 E HN 0.568 nan 8.360 nan 0.000 0.466 610 W N 0.747 121.982 121.300 -0.109 0.000 2.444 610 W HA 0.055 4.715 4.660 0.001 0.000 0.308 610 W C 2.303 178.720 176.519 -0.169 0.000 1.183 610 W CA 0.131 57.450 57.345 -0.043 0.000 1.340 610 W CB -1.299 28.188 29.460 0.045 0.000 1.138 610 W HN 0.039 nan 8.180 nan 0.000 0.510 611 L N -0.083 121.095 121.223 -0.076 0.000 2.046 611 L HA -0.222 4.119 4.340 0.001 0.000 0.208 611 L C 2.389 178.860 176.870 -0.665 0.000 1.077 611 L CA 1.062 55.608 54.840 -0.490 0.000 0.747 611 L CB -1.071 40.827 42.059 -0.270 0.000 0.896 611 L HN -0.153 nan 8.230 nan 0.000 0.432 612 I N -0.041 120.095 120.570 -0.723 0.000 2.567 612 I HA -0.254 3.917 4.170 0.001 0.000 0.257 612 I C 2.288 178.185 176.117 -0.366 0.000 1.184 612 I CA 1.549 62.428 61.300 -0.701 0.000 1.451 612 I CB -0.305 37.017 38.000 -1.131 0.000 1.089 612 I HN 0.122 nan 8.210 nan 0.000 0.441 613 K N -0.727 119.522 120.400 -0.252 0.000 2.217 613 K HA -0.127 4.194 4.320 0.001 0.000 0.202 613 K C 1.363 177.983 176.600 0.033 0.000 1.051 613 K CA 1.665 57.919 56.287 -0.054 0.000 0.952 613 K CB -0.104 32.430 32.500 0.056 0.000 0.736 613 K HN 0.623 nan 8.250 nan 0.000 0.453 614 Y N -2.332 117.939 120.300 -0.048 0.000 2.432 614 Y HA 0.324 4.874 4.550 0.001 0.000 0.252 614 Y C 0.473 176.287 175.900 -0.143 0.000 1.097 614 Y CA -0.825 57.208 58.100 -0.111 0.000 1.250 614 Y CB -0.067 38.352 38.460 -0.070 0.000 1.245 614 Y HN -0.259 nan 8.280 nan 0.000 0.522 615 S N 3.897 119.394 115.700 -0.339 0.000 2.737 615 S HA 0.025 4.495 4.470 0.001 0.000 0.315 615 S C -1.426 173.135 174.600 -0.067 0.000 1.236 615 S CA -0.674 57.425 58.200 -0.168 0.000 1.093 615 S CB 0.521 63.719 63.200 -0.003 0.000 0.832 615 S HN 0.233 nan 8.310 nan 0.000 0.507 616 P HA -0.138 nan 4.420 nan 0.000 0.215 616 P C 1.548 178.789 177.300 -0.098 0.000 1.157 616 P CA 0.595 63.539 63.100 -0.261 0.000 0.874 616 P CB 0.050 31.301 31.700 -0.747 0.000 0.790 617 L N -1.336 119.770 121.223 -0.195 0.000 2.265 617 L HA -0.153 4.188 4.340 0.001 0.000 0.215 617 L C 1.233 177.886 176.870 -0.362 0.000 1.117 617 L CA 2.040 56.773 54.840 -0.178 0.000 0.782 617 L CB -1.140 40.705 42.059 -0.356 0.000 0.914 617 L HN 0.111 nan 8.230 nan 0.000 0.441 618 H N -1.894 117.212 119.070 0.059 0.000 2.542 618 H HA 0.337 4.893 4.556 0.001 0.000 0.283 618 H C 0.503 175.864 175.328 0.055 0.000 1.059 618 H CA 0.086 56.162 56.048 0.048 0.000 1.162 618 H CB 0.071 29.824 29.762 -0.016 0.000 1.539 618 H HN 0.271 nan 8.280 nan 0.000 0.543 619 N N 0.553 119.330 118.700 0.129 0.000 2.305 619 N HA 0.084 4.825 4.740 0.001 0.000 0.248 619 N C -0.759 174.856 175.510 0.175 0.000 1.290 619 N CA 0.117 53.245 53.050 0.130 0.000 0.873 619 N CB 1.930 40.470 38.487 0.088 0.000 1.261 619 N HN -0.011 nan 8.380 nan 0.000 0.504 620 V N 1.665 121.685 119.914 0.178 0.000 2.470 620 V HA 0.180 4.300 4.120 0.001 0.000 0.276 620 V C 0.387 176.552 176.094 0.118 0.000 1.040 620 V CA 0.321 62.719 62.300 0.163 0.000 1.008 620 V CB 0.757 32.609 31.823 0.049 0.000 0.990 620 V HN 0.103 nan 8.190 nan 0.000 0.477 621 K N 4.763 125.266 120.400 0.172 0.000 2.543 621 K HA 0.470 4.790 4.320 0.001 0.000 0.255 621 K C -1.080 175.627 176.600 0.179 0.000 0.934 621 K CA -0.868 55.499 56.287 0.134 0.000 0.810 621 K CB 1.723 34.308 32.500 0.141 0.000 1.315 621 K HN 0.527 nan 8.250 nan 0.000 0.433 622 L N 4.817 126.093 121.223 0.088 0.000 2.540 622 L HA 0.119 4.459 4.340 0.001 0.000 0.276 622 L C -1.979 174.981 176.870 0.149 0.000 1.212 622 L CA -1.432 53.468 54.840 0.100 0.000 0.893 622 L CB 0.169 42.251 42.059 0.038 0.000 1.138 622 L HN 0.484 nan 8.230 nan 0.000 0.491 623 P HA 0.038 nan 4.420 nan 0.000 0.268 623 P C 0.185 177.532 177.300 0.077 0.000 1.205 623 P CA -0.151 63.023 63.100 0.124 0.000 0.771 623 P CB 0.679 32.446 31.700 0.113 0.000 0.858 624 E N 1.812 122.046 120.200 0.057 0.000 2.051 624 E HA -0.096 4.255 4.350 0.001 0.000 0.192 624 E C 0.644 177.264 176.600 0.034 0.000 0.991 624 E CA 0.731 57.157 56.400 0.042 0.000 0.799 624 E CB -0.187 29.534 29.700 0.035 0.000 0.748 624 E HN 0.545 nan 8.360 nan 0.000 0.449 625 A N 1.866 124.703 122.820 0.029 0.000 2.511 625 A HA -0.047 4.274 4.320 0.001 0.000 0.242 625 A C 0.347 177.947 177.584 0.027 0.000 1.069 625 A CA -0.181 51.869 52.037 0.022 0.000 0.763 625 A CB 0.276 19.284 19.000 0.014 0.000 1.001 625 A HN 0.043 nan 8.150 nan 0.000 0.498 626 D N 1.070 121.483 120.400 0.022 0.000 2.218 626 D HA -0.135 4.505 4.640 0.001 0.000 0.204 626 D C 1.113 177.427 176.300 0.024 0.000 0.976 626 D CA 1.677 55.691 54.000 0.023 0.000 0.853 626 D CB 0.043 40.853 40.800 0.017 0.000 0.939 626 D HN 0.796 nan 8.370 nan 0.000 0.481 627 D N -0.069 120.342 120.400 0.019 0.000 2.340 627 D HA -0.044 4.596 4.640 0.001 0.000 0.220 627 D C 0.556 176.869 176.300 0.022 0.000 1.039 627 D CA -0.048 53.963 54.000 0.018 0.000 0.866 627 D CB 0.289 41.095 40.800 0.009 0.000 0.913 627 D HN 0.203 nan 8.370 nan 0.000 0.523 628 I N 1.446 122.033 120.570 0.029 0.000 2.378 628 I HA 0.234 4.404 4.170 0.001 0.000 0.291 628 I C 0.044 176.202 176.117 0.069 0.000 0.992 628 I CA -0.815 60.506 61.300 0.034 0.000 1.154 628 I CB 1.748 39.759 38.000 0.018 0.000 1.315 628 I HN -0.040 nan 8.210 nan 0.000 0.448 629 Q N 4.516 124.369 119.800 0.087 0.000 2.552 629 Q HA 0.501 4.842 4.340 0.001 0.000 0.289 629 Q C -1.506 174.615 176.000 0.202 0.000 1.097 629 Q CA -0.955 54.939 55.803 0.152 0.000 0.812 629 Q CB 1.623 30.436 28.738 0.126 0.000 1.460 629 Q HN 0.366 nan 8.270 nan 0.000 0.452 630 Y N 1.519 121.846 120.300 0.045 0.000 2.326 630 Y HA 0.255 4.805 4.550 0.001 0.000 0.333 630 Y C -1.904 174.042 175.900 0.076 0.000 1.240 630 Y CA -1.698 56.436 58.100 0.057 0.000 1.365 630 Y CB 0.436 38.913 38.460 0.029 0.000 1.289 630 Y HN 0.525 nan 8.280 nan 0.000 0.548 631 P HA 0.029 nan 4.420 nan 0.000 0.273 631 P C -0.695 176.722 177.300 0.195 0.000 1.250 631 P CA -0.293 62.910 63.100 0.170 0.000 0.793 631 P CB 0.623 32.432 31.700 0.182 0.000 1.011 632 S N 0.573 116.380 115.700 0.180 0.000 2.549 632 S HA 0.267 4.737 4.470 0.001 0.000 0.283 632 S C 0.417 175.202 174.600 0.307 0.000 1.320 632 S CA 0.105 58.435 58.200 0.218 0.000 1.058 632 S CB -0.483 62.783 63.200 0.109 0.000 0.882 632 S HN 0.315 nan 8.310 nan 0.000 0.498 633 M N 3.215 122.988 119.600 0.289 0.000 2.393 633 M HA 0.502 4.983 4.480 0.001 0.000 0.299 633 M C -1.431 174.822 176.300 -0.077 0.000 1.103 633 M CA -0.743 54.640 55.300 0.139 0.000 0.910 633 M CB 1.939 34.570 32.600 0.051 0.000 1.659 633 M HN 0.412 nan 8.290 nan 0.000 0.445 634 L N 4.532 125.584 121.223 -0.284 0.000 2.404 634 L HA 0.631 4.972 4.340 0.001 0.000 0.272 634 L C -1.767 174.941 176.870 -0.271 0.000 0.980 634 L CA -0.236 54.270 54.840 -0.556 0.000 0.836 634 L CB 1.406 42.772 42.059 -1.156 0.000 1.238 634 L HN 0.666 nan 8.230 nan 0.000 0.408 635 L N 5.961 127.071 121.223 -0.188 0.000 2.309 635 L HA 0.568 4.908 4.340 0.001 0.000 0.282 635 L C -0.803 176.016 176.870 -0.087 0.000 1.036 635 L CA -0.654 54.134 54.840 -0.087 0.000 0.806 635 L CB 1.534 43.583 42.059 -0.018 0.000 1.220 635 L HN 0.515 nan 8.230 nan 0.000 0.429 636 L N 2.690 123.871 121.223 -0.069 0.000 2.362 636 L HA 0.748 5.089 4.340 0.001 0.000 0.275 636 L C -0.253 176.582 176.870 -0.059 0.000 0.998 636 L CA -0.209 54.589 54.840 -0.071 0.000 0.820 636 L CB 2.160 44.175 42.059 -0.074 0.000 1.270 636 L HN 0.617 nan 8.230 nan 0.000 0.415 637 T N 1.260 115.769 114.554 -0.075 0.000 2.827 637 T HA 0.669 5.019 4.350 0.001 0.000 0.328 637 T C -1.393 173.259 174.700 -0.080 0.000 1.598 637 T CA -0.156 61.916 62.100 -0.046 0.000 1.043 637 T CB 1.597 70.463 68.868 -0.002 0.000 1.447 637 T HN 0.687 nan 8.240 nan 0.000 0.491 638 A N 1.440 124.231 122.820 -0.048 0.000 2.271 638 A HA 0.569 4.889 4.320 0.001 0.000 0.288 638 A C 1.100 178.625 177.584 -0.100 0.000 1.094 638 A CA 0.165 52.160 52.037 -0.069 0.000 0.828 638 A CB 0.272 19.267 19.000 -0.009 0.000 1.091 638 A HN 0.944 nan 8.150 nan 0.000 0.493 639 D N -0.698 119.577 120.400 -0.208 0.000 2.348 639 D HA -0.037 4.604 4.640 0.001 0.000 0.216 639 D C -0.025 175.951 176.300 -0.541 0.000 0.970 639 D CA 1.233 55.004 54.000 -0.382 0.000 0.889 639 D CB -0.418 40.081 40.800 -0.502 0.000 0.912 639 D HN 0.646 nan 8.370 nan 0.000 0.524 640 H N -0.691 118.404 119.070 0.041 0.000 3.018 640 H HA 0.464 5.020 4.556 0.001 0.000 0.334 640 H C -1.077 174.291 175.328 0.066 0.000 0.983 640 H CA -0.931 55.149 56.048 0.052 0.000 1.363 640 H CB 1.162 30.956 29.762 0.054 0.000 1.668 640 H HN -0.112 nan 8.280 nan 0.000 0.513 641 N N 2.489 121.297 118.700 0.181 0.000 2.519 641 N HA 0.007 4.748 4.740 0.001 0.000 0.291 641 N C -0.525 175.076 175.510 0.152 0.000 1.107 641 N CA -0.605 52.541 53.050 0.161 0.000 0.904 641 N CB 1.518 40.101 38.487 0.161 0.000 1.500 641 N HN 0.774 nan 8.380 nan 0.000 0.510 642 D N 2.210 122.687 120.400 0.129 0.000 2.349 642 D HA 0.021 4.662 4.640 0.001 0.000 0.215 642 D C 1.380 177.733 176.300 0.089 0.000 1.016 642 D CA 0.348 54.410 54.000 0.103 0.000 0.870 642 D CB 0.535 41.378 40.800 0.071 0.000 0.917 642 D HN 0.393 nan 8.370 nan 0.000 0.524 643 R N 0.572 121.110 120.500 0.063 0.000 2.052 643 R HA 0.183 4.523 4.340 0.001 0.000 0.224 643 R C -0.040 176.363 176.300 0.172 0.000 1.149 643 R CA 0.896 56.994 56.100 -0.003 0.000 0.962 643 R CB -0.154 29.867 30.300 -0.465 0.000 0.856 643 R HN 0.038 nan 8.270 nan 0.000 0.433 644 V N 3.320 123.327 119.914 0.155 0.000 2.304 644 V HA 0.270 4.390 4.120 0.001 0.000 0.278 644 V C -0.501 175.773 176.094 0.300 0.000 1.018 644 V CA -1.060 61.439 62.300 0.331 0.000 0.814 644 V CB 1.170 33.135 31.823 0.237 0.000 1.021 644 V HN 0.258 nan 8.190 nan 0.000 0.440 645 V N 4.132 124.237 119.914 0.318 0.000 2.720 645 V HA 0.130 4.251 4.120 0.001 0.000 0.307 645 V C -1.289 174.890 176.094 0.143 0.000 1.071 645 V CA -0.551 61.847 62.300 0.163 0.000 1.199 645 V CB 0.245 32.064 31.823 -0.008 0.000 0.900 645 V HN 0.604 nan 8.190 nan 0.000 0.494 646 P HA -0.141 nan 4.420 nan 0.000 0.218 646 P C 1.639 178.922 177.300 -0.029 0.000 1.146 646 P CA 1.492 64.610 63.100 0.030 0.000 0.813 646 P CB -0.143 31.553 31.700 -0.006 0.000 0.778 647 L N -3.278 117.858 121.223 -0.144 0.000 2.189 647 L HA -0.206 4.134 4.340 0.001 0.000 0.214 647 L C 2.232 178.979 176.870 -0.206 0.000 1.097 647 L CA 1.993 56.679 54.840 -0.256 0.000 0.764 647 L CB -2.035 39.769 42.059 -0.424 0.000 0.900 647 L HN 0.077 nan 8.230 nan 0.000 0.436 648 H N 0.394 119.425 119.070 -0.065 0.000 2.290 648 H HA -0.081 4.475 4.556 0.001 0.000 0.298 648 H C 2.411 177.741 175.328 0.003 0.000 1.087 648 H CA 1.956 57.994 56.048 -0.016 0.000 1.291 648 H CB -0.246 29.530 29.762 0.024 0.000 1.369 648 H HN 0.489 nan 8.280 nan 0.000 0.492 649 S N 0.607 116.397 115.700 0.150 0.000 2.383 649 S HA -0.040 4.431 4.470 0.001 0.000 0.227 649 S C 2.523 177.178 174.600 0.092 0.000 1.026 649 S CA 0.423 58.704 58.200 0.135 0.000 0.981 649 S CB -0.151 63.102 63.200 0.090 0.000 0.818 649 S HN 0.220 nan 8.310 nan 0.000 0.472 650 L N 1.212 122.441 121.223 0.010 0.000 2.017 650 L HA -0.124 4.217 4.340 0.001 0.000 0.208 650 L C 2.450 179.184 176.870 -0.226 0.000 1.073 650 L CA 1.299 56.103 54.840 -0.060 0.000 0.745 650 L CB -0.537 41.385 42.059 -0.228 0.000 0.894 650 L HN 0.247 nan 8.230 nan 0.000 0.432 651 K N -0.633 119.630 120.400 -0.229 0.000 2.097 651 K HA -0.171 4.150 4.320 0.001 0.000 0.205 651 K C 2.129 178.694 176.600 -0.059 0.000 1.050 651 K CA 1.231 57.389 56.287 -0.216 0.000 0.938 651 K CB -0.253 32.166 32.500 -0.136 0.000 0.718 651 K HN 0.072 nan 8.250 nan 0.000 0.442 652 F N 1.921 121.791 119.950 -0.135 0.000 2.102 652 F HA -0.176 4.352 4.527 0.001 0.000 0.298 652 F C 2.065 177.790 175.800 -0.125 0.000 1.105 652 F CA 0.825 58.763 58.000 -0.104 0.000 1.239 652 F CB -0.356 38.607 39.000 -0.062 0.000 0.991 652 F HN -0.136 nan 8.300 nan 0.000 0.474 653 I N 0.452 120.929 120.570 -0.155 0.000 2.315 653 I HA -0.133 4.037 4.170 0.001 0.000 0.248 653 I C 2.403 178.342 176.117 -0.297 0.000 1.117 653 I CA 1.494 62.623 61.300 -0.285 0.000 1.404 653 I CB -0.991 36.917 38.000 -0.154 0.000 1.071 653 I HN 0.144 nan 8.210 nan 0.000 0.419 654 A N -0.912 121.750 122.820 -0.263 0.000 1.902 654 A HA -0.204 4.117 4.320 0.001 0.000 0.217 654 A C 2.342 179.646 177.584 -0.466 0.000 1.181 654 A CA 2.423 54.167 52.037 -0.489 0.000 0.623 654 A CB -1.292 17.021 19.000 -1.144 0.000 0.818 654 A HN 0.447 nan 8.150 nan 0.000 0.443 655 T N 0.377 114.750 114.554 -0.301 0.000 2.777 655 T HA -0.041 4.309 4.350 0.001 0.000 0.266 655 T C 1.834 176.450 174.700 -0.139 0.000 1.040 655 T CA 1.354 63.444 62.100 -0.017 0.000 1.141 655 T CB -0.360 68.546 68.868 0.063 0.000 0.868 655 T HN 0.344 nan 8.240 nan 0.000 0.444 656 L N 0.736 121.736 121.223 -0.371 0.000 2.046 656 L HA -0.161 4.179 4.340 0.001 0.000 0.208 656 L C 2.911 179.540 176.870 -0.402 0.000 1.077 656 L CA 1.473 56.027 54.840 -0.477 0.000 0.747 656 L CB -0.539 41.129 42.059 -0.653 0.000 0.896 656 L HN 0.306 nan 8.230 nan 0.000 0.432 657 Q N -1.561 117.986 119.800 -0.421 0.000 2.167 657 Q HA -0.234 4.106 4.340 0.001 0.000 0.202 657 Q C 1.991 177.890 176.000 -0.170 0.000 0.970 657 Q CA 1.646 57.156 55.803 -0.488 0.000 0.855 657 Q CB -0.133 28.205 28.738 -0.667 0.000 0.911 657 Q HN 0.472 nan 8.270 nan 0.000 0.438 658 Y N 0.641 120.844 120.300 -0.162 0.000 2.176 658 Y HA -0.151 4.399 4.550 0.001 0.000 0.291 658 Y C 1.867 177.744 175.900 -0.039 0.000 1.122 658 Y CA 1.088 59.170 58.100 -0.029 0.000 1.128 658 Y CB 0.122 38.637 38.460 0.091 0.000 1.005 658 Y HN -0.008 nan 8.280 nan 0.000 0.509 659 I N -1.012 119.530 120.570 -0.047 0.000 2.333 659 I HA -0.150 4.020 4.170 0.001 0.000 0.246 659 I C 2.015 178.012 176.117 -0.201 0.000 1.106 659 I CA 1.099 62.317 61.300 -0.137 0.000 1.411 659 I CB -1.033 36.946 38.000 -0.034 0.000 1.082 659 I HN 0.179 nan 8.210 nan 0.000 0.420 660 V N 0.385 120.146 119.914 -0.255 0.000 2.788 660 V HA 0.169 4.290 4.120 0.001 0.000 0.241 660 V C 2.542 178.541 176.094 -0.158 0.000 1.083 660 V CA 1.206 63.341 62.300 -0.276 0.000 1.103 660 V CB -0.770 30.716 31.823 -0.562 0.000 0.800 660 V HN 0.385 nan 8.190 nan 0.000 0.476 661 G N 0.436 109.139 108.800 -0.161 0.000 2.462 661 G HA2 -0.229 3.731 3.960 0.001 0.000 0.220 661 G HA3 -0.229 3.731 3.960 0.001 0.000 0.220 661 G C 1.678 176.651 174.900 0.122 0.000 1.121 661 G CA 0.612 45.718 45.100 0.011 0.000 0.758 661 G HN 0.436 nan 8.290 nan 0.000 0.559 662 R N 0.647 121.149 120.500 0.003 0.000 2.240 662 R HA 0.090 4.430 4.340 0.001 0.000 0.203 662 R C 1.347 177.636 176.300 -0.018 0.000 1.011 662 R CA 0.469 56.567 56.100 -0.004 0.000 1.007 662 R CB 0.011 30.245 30.300 -0.109 0.000 0.911 662 R HN 0.423 nan 8.270 nan 0.000 0.468 663 S N 0.802 116.484 115.700 -0.029 0.000 2.562 663 S HA 0.105 4.576 4.470 0.001 0.000 0.281 663 S C 1.127 175.734 174.600 0.010 0.000 1.333 663 S CA -0.717 57.472 58.200 -0.017 0.000 1.052 663 S CB 1.342 64.531 63.200 -0.020 0.000 0.884 663 S HN 0.072 nan 8.310 nan 0.000 0.506 664 R N 2.902 123.405 120.500 0.006 0.000 2.105 664 R HA -0.124 4.216 4.340 0.001 0.000 0.239 664 R C 2.095 178.407 176.300 0.020 0.000 1.135 664 R CA 2.076 58.182 56.100 0.011 0.000 0.967 664 R CB -0.981 29.322 30.300 0.005 0.000 0.861 664 R HN 0.972 nan 8.270 nan 0.000 0.442 665 K N 0.809 121.224 120.400 0.025 0.000 2.439 665 K HA -0.081 4.240 4.320 0.001 0.000 0.197 665 K C 0.724 177.356 176.600 0.053 0.000 1.041 665 K CA 0.438 56.746 56.287 0.035 0.000 0.970 665 K CB 0.031 32.553 32.500 0.037 0.000 0.773 665 K HN -0.138 nan 8.250 nan 0.000 0.479 666 Q N 1.792 121.627 119.800 0.060 0.000 2.344 666 Q HA 0.120 4.461 4.340 0.001 0.000 0.253 666 Q C -0.323 175.740 176.000 0.105 0.000 1.050 666 Q CA 0.043 55.899 55.803 0.089 0.000 0.912 666 Q CB 0.762 29.549 28.738 0.081 0.000 1.258 666 Q HN 0.226 nan 8.270 nan 0.000 0.443 667 N N 2.629 121.392 118.700 0.105 0.000 2.348 667 N HA 0.063 4.803 4.740 0.001 0.000 0.183 667 N C -0.617 174.990 175.510 0.162 0.000 1.094 667 N CA 0.041 53.151 53.050 0.100 0.000 0.885 667 N CB 0.413 38.935 38.487 0.058 0.000 1.065 667 N HN 0.438 nan 8.380 nan 0.000 0.472 668 N N 3.119 121.919 118.700 0.167 0.000 2.513 668 N HA 0.147 4.887 4.740 0.001 0.000 0.268 668 N C -2.362 173.289 175.510 0.235 0.000 1.180 668 N CA -0.844 52.316 53.050 0.184 0.000 0.948 668 N CB 0.529 39.108 38.487 0.154 0.000 1.083 668 N HN 0.170 nan 8.380 nan 0.000 0.455 669 P HA 0.127 nan 4.420 nan 0.000 0.271 669 P C -0.682 176.634 177.300 0.027 0.000 1.218 669 P CA 0.002 63.144 63.100 0.069 0.000 0.780 669 P CB 0.833 32.363 31.700 -0.283 0.000 0.901 670 L N 3.572 124.746 121.223 -0.081 0.000 2.401 670 L HA 0.451 4.791 4.340 0.001 0.000 0.263 670 L C 0.014 176.701 176.870 -0.305 0.000 1.004 670 L CA -0.325 54.400 54.840 -0.192 0.000 0.881 670 L CB 0.692 42.565 42.059 -0.311 0.000 1.219 670 L HN 0.227 nan 8.230 nan 0.000 0.441 671 L N 3.286 124.345 121.223 -0.272 0.000 2.301 671 L HA 0.678 5.019 4.340 0.001 0.000 0.264 671 L C -0.762 175.956 176.870 -0.253 0.000 1.016 671 L CA -0.794 53.870 54.840 -0.294 0.000 0.821 671 L CB 3.113 44.967 42.059 -0.343 0.000 1.346 671 L HN 0.418 nan 8.230 nan 0.000 0.429 672 I N -0.032 120.420 120.570 -0.196 0.000 2.582 672 I HA 0.360 4.531 4.170 0.001 0.000 0.292 672 I C -1.266 174.829 176.117 -0.038 0.000 1.066 672 I CA -0.298 60.930 61.300 -0.121 0.000 1.053 672 I CB 2.215 40.163 38.000 -0.087 0.000 1.241 672 I HN 0.670 nan 8.210 nan 0.000 0.421 673 H N 6.948 125.937 119.070 -0.134 0.000 2.587 673 H HA 0.531 5.087 4.556 0.001 0.000 0.325 673 H C -1.668 173.619 175.328 -0.067 0.000 1.012 673 H CA -0.804 55.186 56.048 -0.096 0.000 1.213 673 H CB 1.635 31.341 29.762 -0.092 0.000 1.431 673 H HN 0.369 nan 8.280 nan 0.000 0.492 674 V N 5.702 125.575 119.914 -0.069 0.000 2.333 674 V HA 0.049 4.170 4.120 0.001 0.000 0.274 674 V C 0.244 176.187 176.094 -0.251 0.000 1.028 674 V CA -0.565 61.644 62.300 -0.152 0.000 0.851 674 V CB 1.098 32.888 31.823 -0.055 0.000 1.000 674 V HN 0.790 nan 8.190 nan 0.000 0.456 675 D N 3.335 123.553 120.400 -0.304 0.000 2.432 675 D HA 0.631 5.272 4.640 0.001 0.000 0.258 675 D C 0.235 176.470 176.300 -0.108 0.000 1.146 675 D CA 0.036 53.893 54.000 -0.239 0.000 1.015 675 D CB 1.756 42.413 40.800 -0.239 0.000 1.107 675 D HN 0.679 nan 8.370 nan 0.000 0.529 676 T N -1.941 112.584 114.554 -0.049 0.000 2.924 676 T HA 0.422 4.772 4.350 0.001 0.000 0.291 676 T C -0.200 174.522 174.700 0.036 0.000 1.045 676 T CA -0.939 61.165 62.100 0.008 0.000 1.015 676 T CB 1.380 70.267 68.868 0.030 0.000 1.103 676 T HN 0.495 nan 8.240 nan 0.000 0.496 677 K N -0.488 119.958 120.400 0.077 0.000 3.016 677 K HA -0.119 4.201 4.320 0.001 0.000 0.262 677 K C 0.072 176.710 176.600 0.062 0.000 1.043 677 K CA 0.718 57.050 56.287 0.075 0.000 0.761 677 K CB -2.035 30.501 32.500 0.060 0.000 1.230 677 K HN 1.006 nan 8.250 nan 0.000 0.485 678 A N -0.566 122.290 122.820 0.061 0.000 2.479 678 A HA 0.856 5.177 4.320 0.001 0.000 0.296 678 A C 0.397 178.025 177.584 0.074 0.000 1.121 678 A CA -0.022 52.046 52.037 0.052 0.000 0.743 678 A CB 2.039 21.052 19.000 0.021 0.000 1.323 678 A HN 0.235 nan 8.150 nan 0.000 0.415 679 G N -1.264 107.585 108.800 0.083 0.000 3.264 679 G HA2 0.399 4.359 3.960 0.001 0.000 0.168 679 G HA3 0.399 4.359 3.960 0.001 0.000 0.168 679 G C 0.553 175.540 174.900 0.145 0.000 1.145 679 G CA 0.350 45.523 45.100 0.121 0.000 0.855 679 G HN 0.793 nan 8.290 nan 0.000 0.629 680 H N -0.552 118.550 119.070 0.053 0.000 2.387 680 H HA 0.112 4.668 4.556 0.001 0.000 0.299 680 H C 1.969 177.314 175.328 0.028 0.000 1.090 680 H CA 2.834 58.907 56.048 0.043 0.000 1.332 680 H CB 0.247 30.040 29.762 0.052 0.000 1.386 680 H HN 0.754 nan 8.280 nan 0.000 0.516 681 G N -2.175 106.661 108.800 0.059 0.000 3.819 681 G HA2 -0.022 3.938 3.960 0.001 0.000 0.210 681 G HA3 -0.022 3.938 3.960 0.001 0.000 0.210 681 G C 0.224 175.144 174.900 0.034 0.000 1.018 681 G CA -0.079 45.019 45.100 -0.003 0.000 0.882 681 G HN 0.579 nan 8.290 nan 0.000 0.377 682 A N 0.820 123.678 122.820 0.064 0.000 2.567 682 A HA 0.525 4.845 4.320 0.001 0.000 0.240 682 A C 1.937 179.555 177.584 0.057 0.000 1.053 682 A CA 1.815 53.888 52.037 0.059 0.000 0.755 682 A CB -0.450 18.595 19.000 0.075 0.000 0.978 682 A HN 2.415 nan 8.150 nan 0.000 0.507 683 G N 1.280 110.107 108.800 0.046 0.000 2.155 683 G HA2 -0.302 3.658 3.960 0.001 0.000 0.257 683 G HA3 -0.302 3.658 3.960 0.001 0.000 0.257 683 G C 0.367 175.296 174.900 0.049 0.000 0.983 683 G CA 0.788 45.916 45.100 0.047 0.000 0.676 683 G HN 1.127 nan 8.290 nan 0.000 0.528 684 K N 1.762 122.190 120.400 0.047 0.000 2.436 684 K HA 0.269 4.590 4.320 0.001 0.000 0.282 684 K C -1.471 175.160 176.600 0.053 0.000 1.044 684 K CA -0.944 55.371 56.287 0.046 0.000 1.028 684 K CB 0.616 33.139 32.500 0.038 0.000 0.919 684 K HN 0.190 nan 8.250 nan 0.000 0.474 685 P HA -0.013 nan 4.420 nan 0.000 0.271 685 P C 0.185 177.528 177.300 0.072 0.000 1.218 685 P CA -0.203 62.929 63.100 0.053 0.000 0.780 685 P CB 0.930 32.657 31.700 0.044 0.000 0.901 686 T N 2.126 116.731 114.554 0.085 0.000 2.653 686 T HA -0.249 4.101 4.350 0.001 0.000 0.268 686 T C 1.885 176.662 174.700 0.128 0.000 1.035 686 T CA 2.456 64.642 62.100 0.143 0.000 1.154 686 T CB -0.784 68.149 68.868 0.110 0.000 0.862 686 T HN 0.570 nan 8.240 nan 0.000 0.441 687 A N 1.563 124.434 122.820 0.085 0.000 1.908 687 A HA -0.185 4.135 4.320 0.001 0.000 0.218 687 A C 2.285 179.912 177.584 0.072 0.000 1.181 687 A CA 1.843 53.925 52.037 0.075 0.000 0.627 687 A CB -0.484 18.548 19.000 0.055 0.000 0.818 687 A HN 0.493 nan 8.150 nan 0.000 0.445 688 K N -0.603 119.835 120.400 0.063 0.000 2.097 688 K HA -0.028 4.293 4.320 0.001 0.000 0.205 688 K C 1.887 178.517 176.600 0.051 0.000 1.050 688 K CA 1.202 57.520 56.287 0.052 0.000 0.938 688 K CB -0.307 32.218 32.500 0.041 0.000 0.718 688 K HN 0.317 nan 8.250 nan 0.000 0.442 689 V N 1.949 121.896 119.914 0.055 0.000 2.295 689 V HA -0.265 3.855 4.120 0.001 0.000 0.246 689 V C 2.169 178.275 176.094 0.020 0.000 1.049 689 V CA 1.702 64.019 62.300 0.028 0.000 1.024 689 V CB -0.379 31.462 31.823 0.030 0.000 0.648 689 V HN 0.282 nan 8.190 nan 0.000 0.447 690 I N -0.391 120.208 120.570 0.049 0.000 2.226 690 I HA -0.192 3.978 4.170 0.001 0.000 0.245 690 I C 2.653 178.833 176.117 0.104 0.000 1.100 690 I CA 1.278 62.624 61.300 0.075 0.000 1.374 690 I CB -0.436 37.629 38.000 0.108 0.000 1.057 690 I HN 0.326 nan 8.210 nan 0.000 0.413 691 E N 0.625 120.877 120.200 0.087 0.000 2.077 691 E HA -0.262 4.089 4.350 0.001 0.000 0.193 691 E C 1.963 178.614 176.600 0.085 0.000 0.989 691 E CA 1.201 57.655 56.400 0.090 0.000 0.800 691 E CB -0.268 29.483 29.700 0.085 0.000 0.746 691 E HN 0.553 nan 8.360 nan 0.000 0.452 692 E N 0.761 121.001 120.200 0.066 0.000 2.031 692 E HA -0.157 4.193 4.350 0.001 0.000 0.193 692 E C 2.214 178.830 176.600 0.027 0.000 0.994 692 E CA 1.915 58.342 56.400 0.045 0.000 0.800 692 E CB 0.101 29.812 29.700 0.018 0.000 0.752 692 E HN 0.150 nan 8.360 nan 0.000 0.447 693 V N -1.132 118.816 119.914 0.056 0.000 2.515 693 V HA -0.156 3.964 4.120 0.001 0.000 0.250 693 V C 2.210 178.312 176.094 0.014 0.000 1.058 693 V CA 1.875 64.232 62.300 0.095 0.000 1.064 693 V CB -0.493 31.474 31.823 0.240 0.000 0.675 693 V HN 0.103 nan 8.190 nan 0.000 0.461 694 S N 0.690 116.430 115.700 0.068 0.000 2.368 694 S HA -0.172 4.298 4.470 0.001 0.000 0.224 694 S C 1.707 176.279 174.600 -0.047 0.000 1.029 694 S CA 1.725 59.932 58.200 0.011 0.000 0.988 694 S CB -0.524 62.783 63.200 0.178 0.000 0.838 694 S HN 0.694 nan 8.310 nan 0.000 0.462 695 D N 1.478 121.881 120.400 0.005 0.000 2.097 695 D HA -0.040 4.600 4.640 0.001 0.000 0.195 695 D C 1.958 178.260 176.300 0.002 0.000 0.989 695 D CA 1.048 55.061 54.000 0.022 0.000 0.827 695 D CB -0.334 40.496 40.800 0.050 0.000 0.966 695 D HN 0.355 nan 8.370 nan 0.000 0.456 696 M N -0.467 119.075 119.600 -0.096 0.000 2.065 696 M HA -0.165 4.315 4.480 0.001 0.000 0.259 696 M C 2.088 178.234 176.300 -0.256 0.000 1.069 696 M CA 1.427 56.599 55.300 -0.213 0.000 1.110 696 M CB -0.458 31.895 32.600 -0.412 0.000 1.328 696 M HN -0.034 nan 8.290 nan 0.000 0.405 697 F N 0.179 120.027 119.950 -0.170 0.000 2.325 697 F HA -0.014 4.513 4.527 0.001 0.000 0.299 697 F C 2.588 178.380 175.800 -0.013 0.000 1.090 697 F CA 1.024 58.925 58.000 -0.165 0.000 1.392 697 F CB -0.938 37.752 39.000 -0.516 0.000 1.053 697 F HN 0.111 nan 8.300 nan 0.000 0.521 698 A N -0.193 122.682 122.820 0.092 0.000 1.898 698 A HA -0.196 4.125 4.320 0.001 0.000 0.216 698 A C 2.090 179.781 177.584 0.178 0.000 1.181 698 A CA 1.246 53.358 52.037 0.127 0.000 0.620 698 A CB -1.315 17.732 19.000 0.078 0.000 0.819 698 A HN 0.360 nan 8.150 nan 0.000 0.442 699 F N 0.798 120.790 119.950 0.070 0.000 2.095 699 F HA -0.183 4.345 4.527 0.001 0.000 0.298 699 F C 1.966 177.863 175.800 0.162 0.000 1.104 699 F CA 1.801 59.888 58.000 0.146 0.000 1.232 699 F CB -0.248 38.818 39.000 0.110 0.000 0.987 699 F HN 0.188 nan 8.300 nan 0.000 0.475 700 I N 0.131 120.823 120.570 0.205 0.000 2.179 700 I HA -0.327 3.843 4.170 0.001 0.000 0.242 700 I C 2.702 178.909 176.117 0.150 0.000 1.088 700 I CA 1.282 62.681 61.300 0.165 0.000 1.357 700 I CB -1.003 37.166 38.000 0.281 0.000 1.051 700 I HN 0.235 nan 8.210 nan 0.000 0.409 701 A N 0.699 123.644 122.820 0.209 0.000 1.902 701 A HA -0.259 4.062 4.320 0.001 0.000 0.217 701 A C 2.424 180.062 177.584 0.091 0.000 1.181 701 A CA 1.981 54.134 52.037 0.195 0.000 0.623 701 A CB -0.642 18.505 19.000 0.245 0.000 0.818 701 A HN 0.377 nan 8.150 nan 0.000 0.443 702 R N -0.852 119.660 120.500 0.020 0.000 2.066 702 R HA -0.119 4.222 4.340 0.001 0.000 0.232 702 R C 2.151 178.430 176.300 -0.035 0.000 1.131 702 R CA 1.918 57.990 56.100 -0.047 0.000 0.955 702 R CB -0.715 29.487 30.300 -0.164 0.000 0.851 702 R HN 0.525 nan 8.270 nan 0.000 0.432 703 C N 0.452 119.690 119.300 -0.103 0.000 2.425 703 C HA -0.008 4.452 4.460 0.001 0.000 0.277 703 C C 2.188 177.177 174.990 -0.002 0.000 1.280 703 C CA 0.515 59.479 59.018 -0.091 0.000 1.744 703 C CB -0.673 26.886 27.740 -0.301 0.000 1.989 703 C HN 0.510 nan 8.230 nan 0.000 0.491 704 L N 0.446 121.687 121.223 0.031 0.000 2.607 704 L HA 0.169 4.510 4.340 0.001 0.000 0.228 704 L C 0.615 177.528 176.870 0.072 0.000 1.123 704 L CA 0.124 55.007 54.840 0.072 0.000 0.890 704 L CB -0.635 41.496 42.059 0.121 0.000 1.103 704 L HN 0.313 nan 8.230 nan 0.000 0.468 705 N N 1.865 120.601 118.700 0.060 0.000 2.696 705 N HA -0.211 4.529 4.740 0.001 0.000 0.256 705 N C -0.495 175.063 175.510 0.079 0.000 1.031 705 N CA 0.473 53.557 53.050 0.058 0.000 0.730 705 N CB -1.169 37.343 38.487 0.042 0.000 0.894 705 N HN 0.338 nan 8.380 nan 0.000 0.544 706 I N 0.573 121.210 120.570 0.112 0.000 2.342 706 I HA 0.146 4.317 4.170 0.001 0.000 0.291 706 I C 0.525 176.731 176.117 0.149 0.000 1.010 706 I CA -0.652 60.725 61.300 0.129 0.000 1.308 706 I CB 0.728 38.833 38.000 0.174 0.000 1.400 706 I HN 0.079 nan 8.210 nan 0.000 0.488 707 D N 5.876 126.351 120.400 0.125 0.000 2.302 707 D HA 0.048 4.689 4.640 0.001 0.000 0.248 707 D C -0.487 175.938 176.300 0.209 0.000 1.094 707 D CA -0.191 53.903 54.000 0.155 0.000 0.897 707 D CB 1.162 42.026 40.800 0.107 0.000 1.200 707 D HN 0.394 nan 8.370 nan 0.000 0.429 708 W N 3.830 125.171 121.300 0.067 0.000 2.216 708 W HA 0.249 4.910 4.660 0.001 0.000 0.326 708 W C -0.862 175.705 176.519 0.081 0.000 1.319 708 W CA -0.387 57.009 57.345 0.084 0.000 1.213 708 W CB 0.424 29.928 29.460 0.074 0.000 1.171 708 W HN 0.278 nan 8.180 nan 0.000 0.557 709 I N 9.851 130.160 120.570 -0.435 0.000 2.337 709 I HA 0.139 4.310 4.170 0.001 0.000 0.285 709 I C -1.435 174.464 176.117 -0.364 0.000 1.041 709 I CA -2.111 59.019 61.300 -0.283 0.000 1.199 709 I CB 1.075 38.922 38.000 -0.254 0.000 1.370 709 I HN 0.107 nan 8.210 nan 0.000 0.470 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.233 63.100 0.222 0.000 0.800 710 P CB 0.000 31.853 31.700 0.255 0.000 0.726