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 1o6f_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 EDILCAEFPD 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 ADRVVPLHSL 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 0.000 176.345 176.300 0.074 0.000 1.140 1 M CA 0.000 55.330 55.300 0.050 0.000 0.988 1 M CB 0.000 32.650 32.600 0.083 0.000 1.302 2 L N 3.344 124.574 121.223 0.012 0.000 2.534 2 L HA 0.159 4.499 4.340 0.001 0.000 0.271 2 L C 0.307 177.063 176.870 -0.190 0.000 1.178 2 L CA 1.304 56.053 54.840 -0.150 0.000 0.907 2 L CB 0.980 42.839 42.059 -0.334 0.000 1.164 2 L HN 0.483 nan 8.230 nan 0.000 0.482 3 S N 3.373 118.994 115.700 -0.132 0.000 2.825 3 S HA 0.444 4.914 4.470 0.001 0.000 0.242 3 S C -0.475 174.159 174.600 0.055 0.000 0.980 3 S CA -0.713 57.464 58.200 -0.038 0.000 1.107 3 S CB -0.513 62.724 63.200 0.061 0.000 1.172 3 S HN 0.380 nan 8.310 nan 0.000 0.483 4 F N -1.112 118.804 119.950 -0.056 0.000 2.685 4 F HA 0.772 5.300 4.527 0.001 0.000 0.315 4 F C -0.976 174.709 175.800 -0.191 0.000 1.126 4 F CA -1.163 56.784 58.000 -0.089 0.000 0.950 4 F CB 1.171 40.133 39.000 -0.064 0.000 1.360 4 F HN 0.140 nan 8.300 nan 0.000 0.469 5 Q N 1.317 121.169 119.800 0.087 0.000 2.337 5 Q HA 0.426 4.766 4.340 0.001 0.000 0.266 5 Q C -1.827 174.218 176.000 0.075 0.000 1.023 5 Q CA -0.865 54.915 55.803 -0.037 0.000 0.829 5 Q CB 1.572 30.316 28.738 0.010 0.000 1.306 5 Q HN 0.720 nan 8.270 nan 0.000 0.449 6 Y N 3.498 123.893 120.300 0.159 0.000 2.411 6 Y HA 0.193 4.743 4.550 0.001 0.000 0.333 6 Y C -1.635 174.307 175.900 0.070 0.000 1.186 6 Y CA -1.645 56.527 58.100 0.120 0.000 1.381 6 Y CB -0.021 38.489 38.460 0.084 0.000 1.273 6 Y HN 0.531 nan 8.280 nan 0.000 0.546 7 P HA 0.015 nan 4.420 nan 0.000 0.274 7 P C -0.778 176.615 177.300 0.155 0.000 1.237 7 P CA -0.320 62.850 63.100 0.118 0.000 0.793 7 P CB 0.966 32.675 31.700 0.016 0.000 0.977 8 D N 0.573 121.067 120.400 0.157 0.000 2.390 8 D HA 0.217 4.857 4.640 0.001 0.000 0.249 8 D C -0.307 176.150 176.300 0.261 0.000 1.144 8 D CA 0.269 54.386 54.000 0.195 0.000 0.880 8 D CB 1.090 41.987 40.800 0.161 0.000 1.182 8 D HN 0.047 nan 8.370 nan 0.000 0.451 9 V N 3.630 123.739 119.914 0.324 0.000 2.482 9 V HA 0.056 4.177 4.120 0.001 0.000 0.295 9 V C -0.395 176.007 176.094 0.514 0.000 1.026 9 V CA -1.060 61.533 62.300 0.489 0.000 0.856 9 V CB 1.344 33.443 31.823 0.461 0.000 1.001 9 V HN 0.421 nan 8.190 nan 0.000 0.424 10 Y N 5.376 125.917 120.300 0.401 0.000 2.610 10 Y HA 0.306 4.857 4.550 0.001 0.000 0.332 10 Y C 0.677 176.815 175.900 0.397 0.000 1.201 10 Y CA 0.124 58.360 58.100 0.227 0.000 1.465 10 Y CB 0.464 38.865 38.460 -0.099 0.000 1.283 10 Y HN 0.560 nan 8.280 nan 0.000 0.563 11 R N 4.690 124.817 120.500 -0.621 0.000 2.265 11 R HA 0.126 4.467 4.340 0.001 0.000 0.328 11 R C -1.206 174.575 176.300 -0.865 0.000 0.969 11 R CA -0.826 54.896 56.100 -0.630 0.000 0.832 11 R CB 0.649 30.589 30.300 -0.600 0.000 1.139 11 R HN 0.617 nan 8.270 nan 0.000 0.457 12 D N 3.094 123.247 120.400 -0.411 0.000 2.453 12 D HA 0.005 4.646 4.640 0.001 0.000 0.223 12 D C 0.459 176.662 176.300 -0.162 0.000 1.183 12 D CA -0.056 53.849 54.000 -0.158 0.000 0.933 12 D CB 0.835 41.735 40.800 0.168 0.000 1.038 12 D HN 0.380 nan 8.370 nan 0.000 0.513 13 E N 1.584 121.674 120.200 -0.183 0.000 2.478 13 E HA -0.089 4.261 4.350 0.001 0.000 0.198 13 E C 1.562 178.128 176.600 -0.056 0.000 1.046 13 E CA 0.566 56.890 56.400 -0.127 0.000 0.870 13 E CB -0.188 29.444 29.700 -0.114 0.000 0.818 13 E HN 0.619 nan 8.360 nan 0.000 0.527 14 T N -2.321 112.218 114.554 -0.025 0.000 3.081 14 T HA 0.279 4.629 4.350 0.001 0.000 0.250 14 T C 1.140 175.842 174.700 0.003 0.000 1.100 14 T CA 0.206 62.305 62.100 -0.002 0.000 1.038 14 T CB 0.129 69.006 68.868 0.015 0.000 0.962 14 T HN 0.055 nan 8.240 nan 0.000 0.516 15 A N 2.883 125.705 122.820 0.003 0.000 2.906 15 A HA 0.534 4.855 4.320 0.001 0.000 0.289 15 A C -0.036 177.558 177.584 0.017 0.000 1.675 15 A CA -0.450 51.597 52.037 0.016 0.000 1.372 15 A CB -0.906 18.108 19.000 0.024 0.000 1.091 15 A HN 0.527 nan 8.150 nan 0.000 0.579 16 I N 1.089 121.668 120.570 0.014 0.000 2.465 16 I HA 0.443 4.613 4.170 0.001 0.000 0.291 16 I C 0.017 176.138 176.117 0.007 0.000 1.014 16 I CA -0.320 60.995 61.300 0.025 0.000 1.093 16 I CB 1.431 39.439 38.000 0.012 0.000 1.267 16 I HN 0.704 nan 8.210 nan 0.000 0.431 17 Q N 3.394 123.210 119.800 0.026 0.000 2.375 17 Q HA 0.385 4.726 4.340 0.001 0.000 0.271 17 Q C -1.584 174.367 176.000 -0.083 0.000 1.074 17 Q CA -0.683 55.073 55.803 -0.078 0.000 0.808 17 Q CB 2.825 31.474 28.738 -0.147 0.000 1.327 17 Q HN 0.664 nan 8.270 nan 0.000 0.441 18 D N 1.863 122.141 120.400 -0.203 0.000 2.274 18 D HA 0.224 4.864 4.640 0.001 0.000 0.239 18 D C -1.680 174.385 176.300 -0.392 0.000 1.104 18 D CA -0.041 53.853 54.000 -0.176 0.000 0.840 18 D CB 0.514 41.224 40.800 -0.150 0.000 1.100 18 D HN 0.363 nan 8.370 nan 0.000 0.477 19 Y N 4.078 124.166 120.300 -0.353 0.000 2.587 19 Y HA 0.235 4.785 4.550 0.001 0.000 0.328 19 Y C 0.140 175.640 175.900 -0.666 0.000 0.980 19 Y CA -0.621 57.051 58.100 -0.714 0.000 1.272 19 Y CB 0.456 38.259 38.460 -1.094 0.000 1.094 19 Y HN 0.571 nan 8.280 nan 0.000 0.503 20 H N 1.855 120.771 119.070 -0.257 0.000 2.776 20 H HA -0.237 4.320 4.556 0.001 0.000 0.300 20 H C 1.446 176.725 175.328 -0.081 0.000 1.161 20 H CA 1.128 57.075 56.048 -0.167 0.000 1.147 20 H CB -1.411 28.247 29.762 -0.174 0.000 1.366 20 H HN 1.079 nan 8.280 nan 0.000 0.397 21 G N -0.691 108.100 108.800 -0.015 0.000 2.232 21 G HA2 -0.295 3.665 3.960 0.001 0.000 0.226 21 G HA3 -0.295 3.665 3.960 0.001 0.000 0.226 21 G C -0.035 174.907 174.900 0.069 0.000 0.996 21 G CA 0.313 45.429 45.100 0.026 0.000 0.626 21 G HN 0.767 nan 8.290 nan 0.000 0.509 22 H N 2.047 121.116 119.070 -0.002 0.000 2.594 22 H HA 0.541 5.098 4.556 0.001 0.000 0.304 22 H C -0.180 175.187 175.328 0.064 0.000 1.068 22 H CA -0.240 55.852 56.048 0.074 0.000 1.308 22 H CB 0.752 30.643 29.762 0.216 0.000 1.409 22 H HN 0.017 nan 8.280 nan 0.000 0.460 23 K N 4.633 125.089 120.400 0.094 0.000 2.276 23 K HA 0.246 4.566 4.320 0.001 0.000 0.283 23 K C -0.573 176.213 176.600 0.310 0.000 1.044 23 K CA -0.659 55.714 56.287 0.144 0.000 0.944 23 K CB 1.680 34.194 32.500 0.024 0.000 1.012 23 K HN 0.293 nan 8.250 nan 0.000 0.472 24 V N 3.266 123.371 119.914 0.319 0.000 2.531 24 V HA 0.200 4.320 4.120 0.001 0.000 0.301 24 V C -0.270 175.955 176.094 0.220 0.000 1.034 24 V CA -0.965 61.528 62.300 0.321 0.000 0.865 24 V CB 1.821 33.848 31.823 0.340 0.000 0.995 24 V HN 0.810 nan 8.190 nan 0.000 0.424 25 C N 3.122 122.527 119.300 0.175 0.000 2.388 25 C HA 0.566 5.027 4.460 0.001 0.000 0.362 25 C C 0.351 175.398 174.990 0.095 0.000 1.266 25 C CA -0.280 58.795 59.018 0.095 0.000 2.028 25 C CB 0.677 28.443 27.740 0.042 0.000 2.440 25 C HN 0.920 nan 8.230 nan 0.000 0.547 26 D N 2.450 122.875 120.400 0.041 0.000 2.513 26 D HA 0.268 4.909 4.640 0.001 0.000 0.295 26 D C -1.282 174.952 176.300 -0.110 0.000 1.202 26 D CA -1.261 52.746 54.000 0.012 0.000 0.849 26 D CB 0.783 41.637 40.800 0.089 0.000 1.116 26 D HN 0.292 nan 8.370 nan 0.000 0.502 27 P HA -0.125 nan 4.420 nan 0.000 0.225 27 P C 0.278 177.256 177.300 -0.538 0.000 1.148 27 P CA 0.723 63.544 63.100 -0.466 0.000 0.779 27 P CB 0.081 31.343 31.700 -0.729 0.000 0.780 28 Y N -0.934 119.246 120.300 -0.200 0.000 2.708 28 Y HA 0.503 5.053 4.550 0.001 0.000 0.287 28 Y C 2.232 177.755 175.900 -0.628 0.000 1.145 28 Y CA -0.545 57.212 58.100 -0.572 0.000 1.249 28 Y CB -0.908 37.203 38.460 -0.581 0.000 1.152 28 Y HN -0.066 nan 8.280 nan 0.000 0.532 29 A N 1.017 123.723 122.820 -0.189 0.000 2.024 29 A HA -0.174 4.147 4.320 0.001 0.000 0.220 29 A C 1.842 179.390 177.584 -0.060 0.000 1.164 29 A CA 1.492 53.481 52.037 -0.080 0.000 0.643 29 A CB -0.987 18.034 19.000 0.036 0.000 0.806 29 A HN 0.822 nan 8.150 nan 0.000 0.451 30 W N -0.756 120.548 121.300 0.007 0.000 2.611 30 W HA 0.046 4.707 4.660 0.001 0.000 0.251 30 W C 0.806 177.296 176.519 -0.049 0.000 1.265 30 W CA 0.343 57.687 57.345 -0.001 0.000 1.295 30 W CB -0.916 28.566 29.460 0.036 0.000 1.129 30 W HN 0.226 nan 8.180 nan 0.000 0.630 31 L N 1.197 122.073 121.223 -0.579 0.000 2.610 31 L HA -0.042 4.298 4.340 0.001 0.000 0.232 31 L C 2.127 178.819 176.870 -0.297 0.000 1.149 31 L CA 0.904 55.403 54.840 -0.567 0.000 0.872 31 L CB -0.444 41.054 42.059 -0.934 0.000 0.992 31 L HN -0.018 nan 8.230 nan 0.000 0.447 32 E N -0.497 119.579 120.200 -0.207 0.000 2.347 32 E HA -0.146 4.204 4.350 0.001 0.000 0.196 32 E C 0.375 176.905 176.600 -0.117 0.000 1.008 32 E CA 0.319 56.602 56.400 -0.194 0.000 0.852 32 E CB 0.080 29.715 29.700 -0.108 0.000 0.783 32 E HN 0.235 nan 8.360 nan 0.000 0.505 33 D N 0.587 120.968 120.400 -0.031 0.000 2.396 33 D HA 0.034 4.675 4.640 0.001 0.000 0.225 33 D C -1.561 174.740 176.300 0.002 0.000 1.121 33 D CA -2.574 51.431 54.000 0.009 0.000 0.853 33 D CB 1.205 42.043 40.800 0.064 0.000 1.043 33 D HN -0.124 nan 8.370 nan 0.000 0.500 34 P HA -0.084 nan 4.420 nan 0.000 0.221 34 P C 0.191 177.494 177.300 0.005 0.000 1.150 34 P CA 0.771 63.858 63.100 -0.021 0.000 0.800 34 P CB 0.315 31.988 31.700 -0.044 0.000 0.787 35 D N -0.751 119.656 120.400 0.011 0.000 2.340 35 D HA 0.002 4.643 4.640 0.001 0.000 0.217 35 D C 0.649 176.967 176.300 0.031 0.000 1.081 35 D CA -0.208 53.801 54.000 0.016 0.000 0.842 35 D CB -0.542 40.263 40.800 0.007 0.000 0.934 35 D HN 0.113 nan 8.370 nan 0.000 0.511 36 S N -0.133 115.597 115.700 0.050 0.000 2.585 36 S HA 0.097 4.567 4.470 0.001 0.000 0.273 36 S C 1.151 175.789 174.600 0.063 0.000 1.339 36 S CA -0.683 57.551 58.200 0.056 0.000 1.028 36 S CB 1.677 64.928 63.200 0.084 0.000 0.906 36 S HN -0.077 nan 8.310 nan 0.000 0.528 37 E N 1.635 121.859 120.200 0.040 0.000 2.153 37 E HA -0.152 4.198 4.350 0.001 0.000 0.194 37 E C 2.020 178.660 176.600 0.066 0.000 0.988 37 E CA 1.351 57.774 56.400 0.038 0.000 0.811 37 E CB -0.448 29.258 29.700 0.009 0.000 0.746 37 E HN 0.786 nan 8.360 nan 0.000 0.466 38 Q N -0.139 119.696 119.800 0.058 0.000 2.050 38 Q HA -0.077 4.263 4.340 0.001 0.000 0.202 38 Q C 2.232 178.432 176.000 0.332 0.000 0.980 38 Q CA 1.942 57.796 55.803 0.084 0.000 0.840 38 Q CB -0.510 28.148 28.738 -0.133 0.000 0.898 38 Q HN 0.172 nan 8.270 nan 0.000 0.424 39 T N 0.674 115.427 114.554 0.332 0.000 2.777 39 T HA -0.086 4.265 4.350 0.001 0.000 0.266 39 T C 1.498 176.348 174.700 0.251 0.000 1.040 39 T CA 1.167 63.450 62.100 0.305 0.000 1.141 39 T CB -0.098 68.862 68.868 0.155 0.000 0.868 39 T HN 0.211 nan 8.240 nan 0.000 0.444 40 K N 1.314 121.813 120.400 0.165 0.000 2.103 40 K HA 0.005 4.325 4.320 0.001 0.000 0.207 40 K C 2.628 179.312 176.600 0.139 0.000 1.048 40 K CA 1.240 57.600 56.287 0.122 0.000 0.930 40 K CB -0.265 32.280 32.500 0.075 0.000 0.716 40 K HN 0.274 nan 8.250 nan 0.000 0.444 41 A N 1.048 123.964 122.820 0.159 0.000 1.930 41 A HA -0.159 4.162 4.320 0.001 0.000 0.217 41 A C 1.985 179.677 177.584 0.180 0.000 1.175 41 A CA 1.030 53.151 52.037 0.140 0.000 0.627 41 A CB -0.646 18.427 19.000 0.122 0.000 0.815 41 A HN 0.364 nan 8.150 nan 0.000 0.443 42 F N 0.726 120.752 119.950 0.127 0.000 2.102 42 F HA -0.173 4.354 4.527 0.001 0.000 0.298 42 F C 2.193 178.022 175.800 0.048 0.000 1.105 42 F CA 2.094 60.168 58.000 0.123 0.000 1.239 42 F CB -0.263 38.841 39.000 0.174 0.000 0.991 42 F HN 0.031 nan 8.300 nan 0.000 0.474 43 V N 0.575 120.625 119.914 0.226 0.000 2.343 43 V HA -0.251 3.869 4.120 0.001 0.000 0.247 43 V C 2.430 178.499 176.094 -0.043 0.000 1.051 43 V CA 2.091 64.430 62.300 0.065 0.000 1.036 43 V CB -0.669 31.214 31.823 0.099 0.000 0.654 43 V HN 0.293 nan 8.190 nan 0.000 0.451 44 E N 0.406 120.605 120.200 -0.001 0.000 2.077 44 E HA -0.186 4.165 4.350 0.001 0.000 0.193 44 E C 2.353 178.925 176.600 -0.046 0.000 0.989 44 E CA 1.560 57.952 56.400 -0.013 0.000 0.800 44 E CB -0.602 29.107 29.700 0.015 0.000 0.746 44 E HN 0.578 nan 8.360 nan 0.000 0.452 45 A N 1.435 124.211 122.820 -0.072 0.000 1.902 45 A HA -0.199 4.121 4.320 0.001 0.000 0.217 45 A C 2.141 179.633 177.584 -0.153 0.000 1.181 45 A CA 1.272 53.252 52.037 -0.094 0.000 0.623 45 A CB -0.311 18.635 19.000 -0.090 0.000 0.818 45 A HN 0.107 nan 8.150 nan 0.000 0.443 46 Q N 0.037 119.673 119.800 -0.274 0.000 2.046 46 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 46 Q C 1.741 177.654 176.000 -0.145 0.000 0.975 46 Q CA 1.415 57.055 55.803 -0.273 0.000 0.836 46 Q CB -0.570 27.916 28.738 -0.419 0.000 0.896 46 Q HN 0.634 nan 8.270 nan 0.000 0.428 47 N N 1.060 119.702 118.700 -0.097 0.000 2.223 47 N HA -0.138 4.602 4.740 0.001 0.000 0.185 47 N C 1.574 177.079 175.510 -0.008 0.000 1.016 47 N CA 0.832 53.876 53.050 -0.010 0.000 0.863 47 N CB -0.168 38.317 38.487 -0.002 0.000 0.983 47 N HN 0.291 nan 8.380 nan 0.000 0.429 48 K N 1.182 121.561 120.400 -0.035 0.000 2.152 48 K HA -0.100 4.220 4.320 0.001 0.000 0.206 48 K C 1.891 178.463 176.600 -0.047 0.000 1.048 48 K CA 1.083 57.355 56.287 -0.025 0.000 0.933 48 K CB -0.002 32.486 32.500 -0.020 0.000 0.721 48 K HN 0.338 nan 8.250 nan 0.000 0.447 49 I N -3.163 117.345 120.570 -0.104 0.000 2.867 49 I HA 0.001 4.172 4.170 0.001 0.000 0.265 49 I C 1.691 177.652 176.117 -0.260 0.000 1.162 49 I CA 0.443 61.612 61.300 -0.218 0.000 1.471 49 I CB -0.411 37.376 38.000 -0.354 0.000 1.123 49 I HN -0.132 nan 8.210 nan 0.000 0.440 50 T N 1.847 116.298 114.554 -0.173 0.000 2.737 50 T HA -0.077 4.274 4.350 0.001 0.000 0.265 50 T C 2.131 176.831 174.700 0.001 0.000 1.038 50 T CA 1.788 63.825 62.100 -0.105 0.000 1.144 50 T CB -0.328 68.512 68.868 -0.047 0.000 0.866 50 T HN 0.186 nan 8.240 nan 0.000 0.434 51 V N 2.329 122.247 119.914 0.007 0.000 2.233 51 V HA -0.132 3.989 4.120 0.001 0.000 0.247 51 V C -0.459 175.649 176.094 0.024 0.000 1.050 51 V CA 1.889 64.190 62.300 0.002 0.000 1.010 51 V CB -1.572 30.263 31.823 0.020 0.000 0.637 51 V HN 0.363 nan 8.190 nan 0.000 0.444 52 P HA -0.172 nan 4.420 nan 0.000 0.218 52 P C 1.675 179.015 177.300 0.066 0.000 1.148 52 P CA 1.389 64.509 63.100 0.034 0.000 0.822 52 P CB -0.115 31.605 31.700 0.032 0.000 0.784 53 F N 0.155 120.070 119.950 -0.058 0.000 2.102 53 F HA -0.138 4.390 4.527 0.001 0.000 0.298 53 F C 1.864 177.685 175.800 0.034 0.000 1.105 53 F CA 1.473 59.467 58.000 -0.009 0.000 1.239 53 F CB -0.724 38.238 39.000 -0.062 0.000 0.991 53 F HN -0.258 nan 8.300 nan 0.000 0.474 54 L N -0.151 121.207 121.223 0.226 0.000 2.141 54 L HA -0.133 4.208 4.340 0.001 0.000 0.209 54 L C 1.829 178.701 176.870 0.004 0.000 1.094 54 L CA 1.322 56.242 54.840 0.134 0.000 0.763 54 L CB -0.591 41.534 42.059 0.109 0.000 0.908 54 L HN 0.191 nan 8.230 nan 0.000 0.437 55 E N -0.631 119.561 120.200 -0.014 0.000 2.479 55 E HA -0.120 4.231 4.350 0.001 0.000 0.193 55 E C 1.769 178.338 176.600 -0.050 0.000 1.049 55 E CA -0.095 56.287 56.400 -0.031 0.000 0.870 55 E CB 0.235 29.924 29.700 -0.019 0.000 0.944 55 E HN 0.462 nan 8.360 nan 0.000 0.492 56 Q N 0.481 120.233 119.800 -0.081 0.000 2.119 56 Q HA -0.098 4.243 4.340 0.001 0.000 0.201 56 Q C 0.350 176.296 176.000 -0.090 0.000 0.972 56 Q CA 0.808 56.558 55.803 -0.089 0.000 0.847 56 Q CB 0.193 28.853 28.738 -0.129 0.000 0.903 56 Q HN 0.214 nan 8.270 nan 0.000 0.433 57 C N 1.984 121.219 119.300 -0.109 0.000 2.499 57 C HA 0.188 4.648 4.460 0.001 0.000 0.386 57 C C -1.287 173.665 174.990 -0.064 0.000 1.293 57 C CA -1.358 57.610 59.018 -0.082 0.000 1.884 57 C CB 0.685 28.376 27.740 -0.083 0.000 2.509 57 C HN 0.449 nan 8.230 nan 0.000 0.566 58 P HA -0.105 nan 4.420 nan 0.000 0.221 58 P C 1.513 178.736 177.300 -0.127 0.000 1.145 58 P CA 0.694 63.744 63.100 -0.083 0.000 0.795 58 P CB 0.014 31.671 31.700 -0.073 0.000 0.775 59 I N -0.149 120.364 120.570 -0.095 0.000 2.248 59 I HA -0.252 3.919 4.170 0.001 0.000 0.248 59 I C 2.387 178.436 176.117 -0.113 0.000 1.107 59 I CA 1.573 62.807 61.300 -0.110 0.000 1.373 59 I CB -0.298 37.733 38.000 0.051 0.000 1.055 59 I HN -0.202 nan 8.210 nan 0.000 0.418 60 R N 0.028 120.498 120.500 -0.050 0.000 2.081 60 R HA -0.146 4.195 4.340 0.001 0.000 0.235 60 R C 2.286 178.566 176.300 -0.034 0.000 1.131 60 R CA 1.590 57.683 56.100 -0.011 0.000 0.960 60 R CB -0.800 29.494 30.300 -0.010 0.000 0.856 60 R HN 0.513 nan 8.270 nan 0.000 0.436 61 G N 0.650 109.394 108.800 -0.093 0.000 2.408 61 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 61 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 61 G C 1.453 176.237 174.900 -0.195 0.000 1.150 61 G CA 0.339 45.375 45.100 -0.107 0.000 0.776 61 G HN 0.215 nan 8.290 nan 0.000 0.542 62 L N -1.119 119.881 121.223 -0.371 0.000 2.056 62 L HA -0.045 4.296 4.340 0.001 0.000 0.207 62 L C 2.551 178.992 176.870 -0.716 0.000 1.078 62 L CA 1.158 55.576 54.840 -0.703 0.000 0.749 62 L CB -0.443 40.824 42.059 -1.321 0.000 0.901 62 L HN 0.268 nan 8.230 nan 0.000 0.433 63 Y N 0.967 120.881 120.300 -0.642 0.000 2.145 63 Y HA -0.302 4.249 4.550 0.001 0.000 0.286 63 Y C 2.762 178.614 175.900 -0.081 0.000 1.145 63 Y CA 1.873 59.841 58.100 -0.219 0.000 1.148 63 Y CB -0.109 38.358 38.460 0.012 0.000 0.981 63 Y HN -0.007 nan 8.280 nan 0.000 0.507 64 K N 0.389 120.873 120.400 0.139 0.000 2.032 64 K HA -0.298 4.022 4.320 0.001 0.000 0.209 64 K C 2.243 178.841 176.600 -0.004 0.000 1.048 64 K CA 2.035 58.384 56.287 0.102 0.000 0.927 64 K CB -0.346 32.196 32.500 0.070 0.000 0.712 64 K HN 0.537 nan 8.250 nan 0.000 0.441 65 E N 0.116 120.278 120.200 -0.064 0.000 2.077 65 E HA -0.258 4.093 4.350 0.001 0.000 0.193 65 E C 2.149 178.712 176.600 -0.061 0.000 0.989 65 E CA 1.107 57.471 56.400 -0.061 0.000 0.800 65 E CB 0.003 29.650 29.700 -0.087 0.000 0.746 65 E HN 0.111 nan 8.360 nan 0.000 0.452 66 R N 0.281 120.712 120.500 -0.116 0.000 2.066 66 R HA -0.116 4.224 4.340 0.001 0.000 0.232 66 R C 2.274 178.512 176.300 -0.104 0.000 1.131 66 R CA 1.757 57.791 56.100 -0.110 0.000 0.955 66 R CB -0.540 29.674 30.300 -0.145 0.000 0.851 66 R HN 0.253 nan 8.270 nan 0.000 0.432 67 M N -0.254 119.238 119.600 -0.180 0.000 2.108 67 M HA -0.112 4.369 4.480 0.001 0.000 0.261 67 M C 1.665 177.999 176.300 0.057 0.000 1.066 67 M CA 2.057 57.295 55.300 -0.103 0.000 1.107 67 M CB -0.583 31.964 32.600 -0.087 0.000 1.356 67 M HN 0.156 nan 8.290 nan 0.000 0.406 68 T N -0.033 114.552 114.554 0.051 0.000 2.788 68 T HA -0.164 4.187 4.350 0.001 0.000 0.268 68 T C 1.687 176.442 174.700 0.092 0.000 1.044 68 T CA 1.702 63.855 62.100 0.089 0.000 1.139 68 T CB -0.267 68.633 68.868 0.054 0.000 0.867 68 T HN 0.621 nan 8.240 nan 0.000 0.454 69 E N 0.708 120.948 120.200 0.067 0.000 2.028 69 E HA -0.027 4.323 4.350 0.001 0.000 0.190 69 E C 2.099 178.775 176.600 0.126 0.000 0.984 69 E CA 0.680 57.126 56.400 0.077 0.000 0.800 69 E CB -0.151 29.581 29.700 0.054 0.000 0.758 69 E HN 0.400 nan 8.360 nan 0.000 0.448 70 L N 0.071 121.378 121.223 0.140 0.000 2.201 70 L HA -0.127 4.214 4.340 0.001 0.000 0.212 70 L C 2.320 179.427 176.870 0.395 0.000 1.105 70 L CA 0.623 55.589 54.840 0.209 0.000 0.775 70 L CB -0.290 41.856 42.059 0.145 0.000 0.913 70 L HN 0.283 nan 8.230 nan 0.000 0.440 71 Y N 0.414 120.827 120.300 0.188 0.000 2.544 71 Y HA -0.057 4.493 4.550 0.001 0.000 0.286 71 Y C 1.040 176.964 175.900 0.040 0.000 1.141 71 Y CA -0.069 58.150 58.100 0.199 0.000 1.299 71 Y CB -0.250 38.253 38.460 0.071 0.000 1.030 71 Y HN 0.083 nan 8.280 nan 0.000 0.543 72 D N 1.194 121.660 120.400 0.110 0.000 2.608 72 D HA 0.052 4.692 4.640 0.001 0.000 0.224 72 D C -1.197 175.142 176.300 0.066 0.000 1.123 72 D CA 0.129 54.113 54.000 -0.027 0.000 1.030 72 D CB -1.267 39.548 40.800 0.027 0.000 1.093 72 D HN 0.321 nan 8.370 nan 0.000 0.497 73 Y N -0.817 119.452 120.300 -0.051 0.000 2.545 73 Y HA 0.721 5.272 4.550 0.001 0.000 0.348 73 Y C -2.877 173.012 175.900 -0.019 0.000 1.002 73 Y CA -3.408 54.693 58.100 0.001 0.000 1.039 73 Y CB 0.507 38.995 38.460 0.047 0.000 1.271 73 Y HN -0.098 nan 8.280 nan 0.000 0.467 74 P HA 0.171 nan 4.420 nan 0.000 0.267 74 P C -1.407 175.971 177.300 0.130 0.000 1.205 74 P CA -0.130 63.054 63.100 0.139 0.000 0.765 74 P CB 0.493 32.401 31.700 0.346 0.000 0.828 75 K N 3.198 123.552 120.400 -0.076 0.000 2.450 75 K HA 0.450 4.770 4.320 0.001 0.000 0.257 75 K C -0.954 175.674 176.600 0.047 0.000 0.953 75 K CA -0.419 55.879 56.287 0.019 0.000 0.844 75 K CB 1.124 33.543 32.500 -0.135 0.000 1.103 75 K HN 0.371 nan 8.250 nan 0.000 0.429 76 Y N 0.145 120.613 120.300 0.279 0.000 2.509 76 Y HA 0.370 4.921 4.550 0.001 0.000 0.341 76 Y C 0.723 176.798 175.900 0.290 0.000 1.038 76 Y CA -0.790 57.497 58.100 0.312 0.000 1.089 76 Y CB 2.084 40.652 38.460 0.179 0.000 1.241 76 Y HN 0.591 nan 8.280 nan 0.000 0.468 77 S N 0.148 116.172 115.700 0.541 0.000 2.722 77 S HA 0.527 4.998 4.470 0.001 0.000 0.292 77 S C -0.321 174.524 174.600 0.409 0.000 1.135 77 S CA -0.827 57.651 58.200 0.464 0.000 1.003 77 S CB 0.844 64.413 63.200 0.614 0.000 1.067 77 S HN 0.716 nan 8.310 nan 0.000 0.546 78 C N 1.922 121.419 119.300 0.329 0.000 2.689 78 C HA 0.328 4.789 4.460 0.001 0.000 0.409 78 C C 0.811 175.887 174.990 0.143 0.000 1.293 78 C CA -0.010 59.119 59.018 0.185 0.000 2.136 78 C CB -1.252 26.608 27.740 0.200 0.000 2.719 78 C HN 0.893 nan 8.230 nan 0.000 0.644 79 H N 0.795 119.527 119.070 -0.563 0.000 2.615 79 H HA 0.512 5.068 4.556 0.001 0.000 0.363 79 H C -0.212 174.982 175.328 -0.223 0.000 1.148 79 H CA 0.505 56.224 56.048 -0.549 0.000 1.401 79 H CB 0.364 29.387 29.762 -1.232 0.000 1.461 79 H HN 0.535 nan 8.280 nan 0.000 0.588 80 F N -0.734 119.231 119.950 0.025 0.000 2.591 80 F HA 0.500 5.028 4.527 0.001 0.000 0.309 80 F C -0.819 175.013 175.800 0.053 0.000 1.098 80 F CA -1.287 56.755 58.000 0.070 0.000 0.937 80 F CB 1.246 40.292 39.000 0.076 0.000 1.250 80 F HN 0.253 nan 8.300 nan 0.000 0.447 81 K N 2.498 122.947 120.400 0.082 0.000 2.138 81 K HA 0.541 4.862 4.320 0.001 0.000 0.263 81 K C -1.205 175.331 176.600 -0.107 0.000 0.965 81 K CA -0.818 55.318 56.287 -0.253 0.000 0.868 81 K CB 1.003 33.211 32.500 -0.487 0.000 1.083 81 K HN 0.648 nan 8.250 nan 0.000 0.443 82 K N 2.436 122.734 120.400 -0.171 0.000 2.578 82 K HA 0.292 4.613 4.320 0.001 0.000 0.250 82 K C 0.008 176.519 176.600 -0.148 0.000 0.955 82 K CA -0.142 56.008 56.287 -0.228 0.000 0.825 82 K CB 1.417 33.476 32.500 -0.736 0.000 1.151 82 K HN 0.960 nan 8.250 nan 0.000 0.432 83 G N 3.549 112.282 108.800 -0.112 0.000 2.556 83 G HA2 -0.380 3.581 3.960 0.001 0.000 0.283 83 G HA3 -0.380 3.581 3.960 0.001 0.000 0.283 83 G C 0.341 175.173 174.900 -0.113 0.000 1.177 83 G CA 0.219 45.271 45.100 -0.079 0.000 0.978 83 G HN 0.567 nan 8.290 nan 0.000 0.554 84 K N 1.111 121.451 120.400 -0.099 0.000 2.417 84 K HA 0.209 4.529 4.320 0.001 0.000 0.196 84 K C 1.108 177.607 176.600 -0.169 0.000 1.023 84 K CA 0.284 56.503 56.287 -0.115 0.000 1.122 84 K CB 0.316 32.776 32.500 -0.067 0.000 0.850 84 K HN 0.407 nan 8.250 nan 0.000 0.521 85 R N -0.255 120.105 120.500 -0.233 0.000 2.854 85 R HA 0.382 4.723 4.340 0.001 0.000 0.271 85 R C -1.051 174.942 176.300 -0.513 0.000 0.996 85 R CA -0.867 55.019 56.100 -0.356 0.000 0.961 85 R CB 1.076 31.074 30.300 -0.503 0.000 1.182 85 R HN -0.095 nan 8.270 nan 0.000 0.479 86 Y N 0.321 120.302 120.300 -0.531 0.000 2.420 86 Y HA 0.484 5.035 4.550 0.001 0.000 0.334 86 Y C -0.417 174.901 175.900 -0.969 0.000 1.094 86 Y CA -0.348 57.458 58.100 -0.491 0.000 1.126 86 Y CB 1.290 39.630 38.460 -0.200 0.000 1.217 86 Y HN 0.345 nan 8.280 nan 0.000 0.462 87 F N 1.496 121.013 119.950 -0.721 0.000 2.603 87 F HA 0.613 5.140 4.527 0.001 0.000 0.317 87 F C -1.013 174.185 175.800 -1.004 0.000 1.066 87 F CA -1.380 56.014 58.000 -1.011 0.000 0.941 87 F CB 1.905 40.020 39.000 -1.475 0.000 1.291 87 F HN 0.404 nan 8.300 nan 0.000 0.472 88 Y N -0.993 118.946 120.300 -0.601 0.000 2.604 88 Y HA 0.704 5.254 4.550 0.001 0.000 0.331 88 Y C -2.178 173.661 175.900 -0.101 0.000 1.158 88 Y CA -2.300 55.617 58.100 -0.305 0.000 1.056 88 Y CB 0.661 38.880 38.460 -0.401 0.000 1.330 88 Y HN 0.385 nan 8.280 nan 0.000 0.457 89 F N 2.614 122.775 119.950 0.351 0.000 2.397 89 F HA 0.619 5.146 4.527 0.001 0.000 0.331 89 F C -0.590 175.466 175.800 0.426 0.000 1.090 89 F CA -0.493 57.685 58.000 0.296 0.000 1.065 89 F CB 1.498 40.653 39.000 0.258 0.000 1.184 89 F HN 0.599 nan 8.300 nan 0.000 0.499 90 Y N 3.111 123.620 120.300 0.347 0.000 2.482 90 Y HA 0.381 4.931 4.550 0.001 0.000 0.334 90 Y C -1.828 174.095 175.900 0.038 0.000 1.091 90 Y CA -1.729 56.414 58.100 0.072 0.000 1.027 90 Y CB 1.408 39.841 38.460 -0.045 0.000 1.306 90 Y HN 0.600 nan 8.280 nan 0.000 0.446 91 N N 2.896 121.289 118.700 -0.511 0.000 2.399 91 N HA 0.179 4.920 4.740 0.001 0.000 0.284 91 N C 0.508 175.474 175.510 -0.905 0.000 1.025 91 N CA 0.319 53.021 53.050 -0.580 0.000 0.885 91 N CB 2.107 40.406 38.487 -0.314 0.000 1.339 91 N HN 0.856 nan 8.380 nan 0.000 0.487 92 T N 0.327 114.347 114.554 -0.890 0.000 2.897 92 T HA 0.103 4.453 4.350 0.001 0.000 0.271 92 T C 1.162 175.683 174.700 -0.298 0.000 1.084 92 T CA 1.561 63.311 62.100 -0.583 0.000 1.123 92 T CB 0.065 68.743 68.868 -0.317 0.000 0.865 92 T HN 0.674 nan 8.240 nan 0.000 0.496 93 G N 0.752 109.345 108.800 -0.344 0.000 4.373 93 G HA2 0.033 3.994 3.960 0.001 0.000 0.195 93 G HA3 0.033 3.994 3.960 0.001 0.000 0.195 93 G C 0.568 175.241 174.900 -0.377 0.000 1.377 93 G CA -0.055 44.838 45.100 -0.345 0.000 0.858 93 G HN 0.420 nan 8.290 nan 0.000 0.307 94 L N 1.773 122.855 121.223 -0.235 0.000 2.959 94 L HA 0.383 4.723 4.340 0.001 0.000 0.259 94 L C 0.781 177.579 176.870 -0.118 0.000 1.185 94 L CA -0.107 54.637 54.840 -0.161 0.000 0.998 94 L CB 0.725 42.738 42.059 -0.077 0.000 1.337 94 L HN 0.246 nan 8.230 nan 0.000 0.555 95 Q N 0.321 120.030 119.800 -0.152 0.000 2.392 95 Q HA 0.015 4.355 4.340 0.001 0.000 0.262 95 Q C 0.599 176.552 176.000 -0.079 0.000 1.003 95 Q CA -0.217 55.519 55.803 -0.111 0.000 0.888 95 Q CB 0.864 29.519 28.738 -0.138 0.000 1.260 95 Q HN 0.167 nan 8.270 nan 0.000 0.435 96 N N 0.741 119.414 118.700 -0.044 0.000 2.166 96 N HA -0.111 4.630 4.740 0.001 0.000 0.186 96 N C -0.186 175.315 175.510 -0.016 0.000 1.019 96 N CA 1.278 54.319 53.050 -0.016 0.000 0.856 96 N CB 0.354 38.838 38.487 -0.005 0.000 0.993 96 N HN 0.478 nan 8.380 nan 0.000 0.426 97 Q N 0.339 120.123 119.800 -0.028 0.000 2.372 97 Q HA 0.251 4.592 4.340 0.001 0.000 0.273 97 Q C -0.371 175.615 176.000 -0.024 0.000 1.078 97 Q CA -0.583 55.210 55.803 -0.017 0.000 0.806 97 Q CB 2.738 31.475 28.738 -0.002 0.000 1.332 97 Q HN 0.335 nan 8.270 nan 0.000 0.435 98 R N -0.444 120.056 120.500 -0.000 0.000 2.641 98 R HA 0.523 4.864 4.340 0.001 0.000 0.269 98 R C -0.438 175.941 176.300 0.133 0.000 1.074 98 R CA -0.433 55.696 56.100 0.047 0.000 1.133 98 R CB 0.256 30.609 30.300 0.090 0.000 1.029 98 R HN 0.193 nan 8.270 nan 0.000 0.488 99 V N 3.119 123.117 119.914 0.139 0.000 2.547 99 V HA 0.235 4.355 4.120 0.001 0.000 0.299 99 V C -0.316 175.815 176.094 0.063 0.000 1.040 99 V CA -1.115 61.203 62.300 0.030 0.000 0.913 99 V CB 1.486 33.205 31.823 -0.173 0.000 0.992 99 V HN 0.602 nan 8.190 nan 0.000 0.449 100 L N 5.120 126.251 121.223 -0.155 0.000 2.265 100 L HA 0.539 4.879 4.340 0.001 0.000 0.288 100 L C -0.989 175.630 176.870 -0.418 0.000 1.058 100 L CA 0.230 54.824 54.840 -0.410 0.000 0.809 100 L CB 0.346 42.134 42.059 -0.452 0.000 1.179 100 L HN 0.529 nan 8.230 nan 0.000 0.429 101 Y N 3.448 123.415 120.300 -0.556 0.000 2.567 101 Y HA 0.730 5.280 4.550 0.001 0.000 0.333 101 Y C -0.192 175.332 175.900 -0.627 0.000 1.106 101 Y CA -0.550 57.208 58.100 -0.571 0.000 1.157 101 Y CB 2.093 39.997 38.460 -0.927 0.000 1.277 101 Y HN 0.416 nan 8.280 nan 0.000 0.490 102 V N 2.498 122.203 119.914 -0.350 0.000 2.925 102 V HA 0.632 4.752 4.120 0.001 0.000 0.311 102 V C -1.733 174.125 176.094 -0.392 0.000 1.104 102 V CA -0.440 61.452 62.300 -0.681 0.000 0.954 102 V CB 2.017 33.357 31.823 -0.804 0.000 1.022 102 V HN 0.900 nan 8.190 nan 0.000 0.427 103 Q N 2.778 122.323 119.800 -0.425 0.000 2.377 103 Q HA 0.500 4.840 4.340 0.001 0.000 0.279 103 Q C -1.104 174.792 176.000 -0.173 0.000 1.049 103 Q CA -0.868 54.820 55.803 -0.191 0.000 0.825 103 Q CB 2.096 30.803 28.738 -0.051 0.000 1.401 103 Q HN 0.546 nan 8.270 nan 0.000 0.404 104 D N 0.915 121.256 120.400 -0.097 0.000 2.277 104 D HA 0.005 4.645 4.640 0.001 0.000 0.208 104 D C 0.171 176.495 176.300 0.041 0.000 0.962 104 D CA 1.369 55.335 54.000 -0.057 0.000 0.865 104 D CB 0.457 41.227 40.800 -0.050 0.000 0.939 104 D HN 0.613 nan 8.370 nan 0.000 0.510 105 S N -1.130 114.607 115.700 0.062 0.000 2.565 105 S HA 0.233 4.703 4.470 0.001 0.000 0.269 105 S C 0.347 174.898 174.600 -0.081 0.000 1.153 105 S CA -0.776 57.478 58.200 0.089 0.000 0.835 105 S CB 1.562 64.781 63.200 0.032 0.000 1.122 105 S HN -0.129 nan 8.310 nan 0.000 0.462 106 L N 1.448 122.495 121.223 -0.293 0.000 2.187 106 L HA 0.007 4.347 4.340 0.001 0.000 0.213 106 L C 1.976 178.713 176.870 -0.221 0.000 1.100 106 L CA 2.294 56.862 54.840 -0.453 0.000 0.765 106 L CB -0.781 40.974 42.059 -0.506 0.000 0.904 106 L HN 0.956 nan 8.230 nan 0.000 0.437 107 E N -2.219 117.895 120.200 -0.143 0.000 2.499 107 E HA 0.284 4.634 4.350 0.001 0.000 0.199 107 E C 0.787 177.337 176.600 -0.084 0.000 1.016 107 E CA 0.104 56.435 56.400 -0.116 0.000 0.933 107 E CB 0.023 29.666 29.700 -0.095 0.000 1.050 107 E HN 0.303 nan 8.360 nan 0.000 0.462 108 G N 0.937 109.695 108.800 -0.070 0.000 2.488 108 G HA2 0.147 4.107 3.960 0.001 0.000 0.318 108 G HA3 0.147 4.107 3.960 0.001 0.000 0.318 108 G C -0.943 173.932 174.900 -0.040 0.000 1.188 108 G CA -0.681 44.391 45.100 -0.047 0.000 0.944 108 G HN 0.202 nan 8.290 nan 0.000 0.495 109 E N -0.117 120.065 120.200 -0.030 0.000 2.344 109 E HA 0.436 4.787 4.350 0.001 0.000 0.270 109 E C 0.357 176.956 176.600 -0.002 0.000 1.021 109 E CA -0.482 55.908 56.400 -0.017 0.000 0.887 109 E CB 0.647 30.339 29.700 -0.013 0.000 0.997 109 E HN 0.524 nan 8.360 nan 0.000 0.429 110 A N 5.065 127.903 122.820 0.029 0.000 2.293 110 A HA 0.555 4.876 4.320 0.001 0.000 0.302 110 A C -0.377 177.272 177.584 0.108 0.000 1.119 110 A CA -0.593 51.484 52.037 0.068 0.000 0.823 110 A CB 0.631 19.715 19.000 0.141 0.000 1.097 110 A HN 0.813 nan 8.150 nan 0.000 0.491 111 R N 0.483 121.050 120.500 0.111 0.000 2.771 111 R HA 0.654 4.994 4.340 0.001 0.000 0.274 111 R C -1.630 174.692 176.300 0.037 0.000 0.987 111 R CA -0.819 55.340 56.100 0.098 0.000 0.908 111 R CB 1.041 31.352 30.300 0.018 0.000 1.213 111 R HN 0.316 nan 8.270 nan 0.000 0.468 112 V N 2.692 122.534 119.914 -0.120 0.000 2.655 112 V HA 0.005 4.125 4.120 0.001 0.000 0.300 112 V C 0.272 176.241 176.094 -0.209 0.000 1.044 112 V CA 0.448 62.488 62.300 -0.433 0.000 1.095 112 V CB 0.460 32.039 31.823 -0.406 0.000 0.952 112 V HN 0.749 nan 8.190 nan 0.000 0.485 113 F N 5.096 124.799 119.950 -0.411 0.000 2.490 113 F HA 0.492 5.019 4.527 0.001 0.000 0.280 113 F C 0.202 175.814 175.800 -0.313 0.000 1.030 113 F CA 0.227 58.047 58.000 -0.299 0.000 1.367 113 F CB 0.618 39.463 39.000 -0.258 0.000 1.131 113 F HN 0.342 nan 8.300 nan 0.000 0.632 114 L N 1.310 122.298 121.223 -0.392 0.000 2.482 114 L HA 0.384 4.725 4.340 0.001 0.000 0.269 114 L C -1.883 174.819 176.870 -0.279 0.000 0.967 114 L CA -0.347 54.240 54.840 -0.423 0.000 0.851 114 L CB 1.297 43.081 42.059 -0.459 0.000 1.242 114 L HN -0.000 nan 8.230 nan 0.000 0.404 115 D N 6.104 126.360 120.400 -0.241 0.000 2.464 115 D HA 0.484 5.124 4.640 0.001 0.000 0.243 115 D C -2.072 174.162 176.300 -0.109 0.000 1.104 115 D CA -2.019 51.878 54.000 -0.172 0.000 0.883 115 D CB 2.113 42.807 40.800 -0.177 0.000 1.050 115 D HN 0.297 nan 8.370 nan 0.000 0.524 116 P HA 0.003 nan 4.420 nan 0.000 0.226 116 P C 1.000 178.284 177.300 -0.026 0.000 1.153 116 P CA 0.393 63.476 63.100 -0.028 0.000 0.777 116 P CB 0.346 32.051 31.700 0.009 0.000 0.794 117 N N 0.384 119.060 118.700 -0.040 0.000 2.289 117 N HA -0.095 4.645 4.740 0.001 0.000 0.184 117 N C 1.577 177.068 175.510 -0.032 0.000 1.016 117 N CA 1.136 54.166 53.050 -0.035 0.000 0.872 117 N CB -0.384 38.076 38.487 -0.044 0.000 0.973 117 N HN 0.343 nan 8.380 nan 0.000 0.433 118 I N -1.894 118.652 120.570 -0.041 0.000 3.564 118 I HA 0.057 4.227 4.170 0.001 0.000 0.294 118 I C 1.241 177.345 176.117 -0.023 0.000 1.289 118 I CA 0.424 61.703 61.300 -0.035 0.000 1.325 118 I CB -0.269 37.704 38.000 -0.045 0.000 1.039 118 I HN -0.064 nan 8.210 nan 0.000 0.474 119 L N 1.144 122.357 121.223 -0.017 0.000 2.567 119 L HA 0.224 4.564 4.340 0.001 0.000 0.225 119 L C 0.543 177.411 176.870 -0.003 0.000 1.119 119 L CA 0.150 54.988 54.840 -0.004 0.000 0.871 119 L CB -0.176 41.888 42.059 0.009 0.000 1.036 119 L HN 0.554 nan 8.230 nan 0.000 0.459 120 S N -3.783 111.913 115.700 -0.007 0.000 2.552 120 S HA 0.228 4.698 4.470 0.001 0.000 0.272 120 S C -0.314 174.282 174.600 -0.006 0.000 1.150 120 S CA -0.836 57.361 58.200 -0.006 0.000 0.849 120 S CB 1.630 64.827 63.200 -0.005 0.000 1.113 120 S HN -0.112 nan 8.310 nan 0.000 0.458 121 D N 1.116 121.513 120.400 -0.004 0.000 2.144 121 D HA -0.007 4.634 4.640 0.001 0.000 0.200 121 D C 1.098 177.398 176.300 -0.000 0.000 0.978 121 D CA 1.966 55.965 54.000 -0.003 0.000 0.833 121 D CB -0.054 40.746 40.800 0.000 0.000 0.961 121 D HN 0.794 nan 8.370 nan 0.000 0.470 122 D N -1.557 118.844 120.400 0.002 0.000 2.363 122 D HA 0.175 4.815 4.640 0.001 0.000 0.214 122 D C 1.252 177.555 176.300 0.006 0.000 1.093 122 D CA 0.376 54.380 54.000 0.006 0.000 0.837 122 D CB -0.216 40.590 40.800 0.011 0.000 0.948 122 D HN 0.128 nan 8.370 nan 0.000 0.507 123 G N 0.902 109.703 108.800 0.001 0.000 2.198 123 G HA2 -0.319 3.642 3.960 0.001 0.000 0.260 123 G HA3 -0.319 3.642 3.960 0.001 0.000 0.260 123 G C 0.865 175.768 174.900 0.004 0.000 1.025 123 G CA 0.871 45.972 45.100 0.001 0.000 0.769 123 G HN 0.582 nan 8.290 nan 0.000 0.507 124 T N -2.972 111.581 114.554 -0.001 0.000 3.144 124 T HA 0.493 4.843 4.350 0.001 0.000 0.249 124 T C 0.587 175.280 174.700 -0.011 0.000 1.089 124 T CA 0.393 62.488 62.100 -0.008 0.000 0.989 124 T CB 0.990 69.844 68.868 -0.023 0.000 0.992 124 T HN 0.586 nan 8.240 nan 0.000 0.540 125 V N 1.859 121.773 119.914 -0.000 0.000 2.347 125 V HA 0.796 4.917 4.120 0.001 0.000 0.280 125 V C 0.106 176.215 176.094 0.026 0.000 1.021 125 V CA -0.909 61.397 62.300 0.011 0.000 0.847 125 V CB 0.708 32.539 31.823 0.014 0.000 0.990 125 V HN 0.653 nan 8.190 nan 0.000 0.444 126 A N 4.553 127.396 122.820 0.037 0.000 2.413 126 A HA 0.875 5.195 4.320 0.001 0.000 0.307 126 A C -0.963 176.669 177.584 0.079 0.000 1.087 126 A CA -0.777 51.290 52.037 0.049 0.000 0.750 126 A CB 1.551 20.574 19.000 0.038 0.000 1.296 126 A HN 0.821 nan 8.150 nan 0.000 0.423 127 L N 0.973 122.254 121.223 0.097 0.000 2.416 127 L HA 0.516 4.856 4.340 0.001 0.000 0.272 127 L C 0.521 177.466 176.870 0.124 0.000 1.161 127 L CA 0.738 55.669 54.840 0.152 0.000 0.845 127 L CB 0.282 42.454 42.059 0.187 0.000 1.119 127 L HN 0.687 nan 8.230 nan 0.000 0.464 128 R N 4.348 124.927 120.500 0.133 0.000 2.721 128 R HA 0.552 4.892 4.340 0.001 0.000 0.272 128 R C -0.694 175.663 176.300 0.096 0.000 1.721 128 R CA 0.177 56.334 56.100 0.096 0.000 1.325 128 R CB 0.373 30.710 30.300 0.061 0.000 1.271 128 R HN 1.076 nan 8.270 nan 0.000 0.556 129 G N 2.788 111.665 108.800 0.130 0.000 2.719 129 G HA2 -0.173 3.787 3.960 0.001 0.000 0.686 129 G HA3 -0.173 3.787 3.960 0.001 0.000 0.686 129 G C -1.504 173.494 174.900 0.163 0.000 1.201 129 G CA -0.289 44.854 45.100 0.073 0.000 0.768 129 G HN 0.711 nan 8.290 nan 0.000 0.629 130 Y N -2.114 118.212 120.300 0.044 0.000 2.641 130 Y HA 0.902 5.452 4.550 0.001 0.000 0.333 130 Y C -0.320 175.602 175.900 0.037 0.000 1.174 130 Y CA -1.074 56.998 58.100 -0.047 0.000 1.057 130 Y CB 1.010 39.506 38.460 0.060 0.000 1.322 130 Y HN 2.255 nan 8.280 nan 0.000 0.457 131 A N 2.168 125.078 122.820 0.149 0.000 2.491 131 A HA 0.692 5.012 4.320 0.001 0.000 0.293 131 A C -2.157 175.727 177.584 0.500 0.000 1.047 131 A CA -0.583 51.667 52.037 0.355 0.000 0.735 131 A CB 0.481 19.700 19.000 0.365 0.000 1.281 131 A HN 0.614 nan 8.150 nan 0.000 0.398 132 F N 1.822 122.036 119.950 0.441 0.000 2.377 132 F HA 0.511 5.038 4.527 0.001 0.000 0.328 132 F C 1.518 177.204 175.800 -0.191 0.000 1.094 132 F CA 0.446 58.581 58.000 0.225 0.000 1.093 132 F CB 1.769 40.863 39.000 0.157 0.000 1.214 132 F HN 0.672 nan 8.300 nan 0.000 0.518 133 S N 0.740 116.131 115.700 -0.515 0.000 2.584 133 S HA 0.048 4.518 4.470 0.001 0.000 0.270 133 S C 1.106 175.594 174.600 -0.186 0.000 1.346 133 S CA -0.541 57.164 58.200 -0.824 0.000 1.018 133 S CB 1.148 63.801 63.200 -0.912 0.000 0.899 133 S HN 0.725 nan 8.310 nan 0.000 0.542 134 E N 1.406 121.529 120.200 -0.129 0.000 2.130 134 E HA -0.242 4.108 4.350 0.001 0.000 0.196 134 E C 1.246 177.788 176.600 -0.098 0.000 0.998 134 E CA 2.175 58.478 56.400 -0.161 0.000 0.806 134 E CB -0.432 29.021 29.700 -0.412 0.000 0.738 134 E HN 0.887 nan 8.360 nan 0.000 0.459 135 D N -1.550 118.813 120.400 -0.061 0.000 2.349 135 D HA 0.064 4.705 4.640 0.001 0.000 0.224 135 D C 1.311 177.605 176.300 -0.010 0.000 1.029 135 D CA 0.835 54.822 54.000 -0.022 0.000 0.879 135 D CB -0.309 40.498 40.800 0.012 0.000 0.906 135 D HN 0.317 nan 8.370 nan 0.000 0.528 136 G N 0.507 109.307 108.800 0.000 0.000 2.155 136 G HA2 -0.308 3.652 3.960 0.001 0.000 0.257 136 G HA3 -0.308 3.652 3.960 0.001 0.000 0.257 136 G C 0.825 175.788 174.900 0.105 0.000 0.983 136 G CA 0.401 45.529 45.100 0.047 0.000 0.676 136 G HN 0.385 nan 8.290 nan 0.000 0.528 137 E N -1.261 118.979 120.200 0.067 0.000 2.447 137 E HA 0.210 4.560 4.350 0.001 0.000 0.195 137 E C 0.174 176.646 176.600 -0.213 0.000 1.028 137 E CA 0.460 56.850 56.400 -0.016 0.000 0.876 137 E CB 0.355 30.059 29.700 0.006 0.000 0.885 137 E HN 0.644 nan 8.360 nan 0.000 0.500 138 Y N -0.606 119.707 120.300 0.022 0.000 2.545 138 Y HA 0.448 4.998 4.550 0.001 0.000 0.348 138 Y C -0.847 175.143 175.900 0.149 0.000 1.002 138 Y CA -1.305 56.835 58.100 0.067 0.000 1.039 138 Y CB 1.784 40.170 38.460 -0.125 0.000 1.271 138 Y HN -0.192 nan 8.280 nan 0.000 0.467 139 F N 1.858 121.978 119.950 0.283 0.000 2.561 139 F HA 0.847 5.374 4.527 0.001 0.000 0.313 139 F C -1.329 174.675 175.800 0.340 0.000 1.126 139 F CA -0.849 57.197 58.000 0.078 0.000 0.918 139 F CB 1.110 40.001 39.000 -0.182 0.000 1.199 139 F HN 0.522 nan 8.300 nan 0.000 0.444 140 A N 5.418 128.067 122.820 -0.285 0.000 2.330 140 A HA 0.792 5.112 4.320 0.001 0.000 0.327 140 A C -2.035 175.038 177.584 -0.850 0.000 1.155 140 A CA -0.484 51.141 52.037 -0.687 0.000 0.803 140 A CB 0.673 19.313 19.000 -0.600 0.000 1.208 140 A HN 0.993 nan 8.150 nan 0.000 0.477 141 Y N -0.533 119.264 120.300 -0.838 0.000 2.544 141 Y HA 0.749 5.299 4.550 0.001 0.000 0.342 141 Y C 0.063 175.783 175.900 -0.300 0.000 1.062 141 Y CA -1.066 56.725 58.100 -0.514 0.000 1.023 141 Y CB 0.854 39.071 38.460 -0.405 0.000 1.308 141 Y HN 0.834 nan 8.280 nan 0.000 0.457 142 G N 2.824 111.592 108.800 -0.053 0.000 2.389 142 G HA2 0.646 4.606 3.960 0.001 0.000 0.328 142 G HA3 0.646 4.606 3.960 0.001 0.000 0.328 142 G C -1.618 173.314 174.900 0.053 0.000 1.133 142 G CA -1.070 43.980 45.100 -0.084 0.000 0.891 142 G HN 0.738 nan 8.290 nan 0.000 0.485 143 L N 1.071 122.300 121.223 0.009 0.000 2.362 143 L HA 0.508 4.848 4.340 0.001 0.000 0.275 143 L C -0.074 176.821 176.870 0.041 0.000 0.998 143 L CA -0.658 54.221 54.840 0.065 0.000 0.820 143 L CB 2.376 44.476 42.059 0.068 0.000 1.270 143 L HN 0.416 nan 8.230 nan 0.000 0.415 144 S N 1.569 117.300 115.700 0.051 0.000 2.482 144 S HA 0.785 5.256 4.470 0.001 0.000 0.303 144 S C -0.380 174.238 174.600 0.029 0.000 1.091 144 S CA -0.581 57.649 58.200 0.050 0.000 1.057 144 S CB 1.976 65.206 63.200 0.051 0.000 1.031 144 S HN 0.653 nan 8.310 nan 0.000 0.485 145 A N 1.582 124.411 122.820 0.015 0.000 2.317 145 A HA 0.729 5.049 4.320 0.001 0.000 0.327 145 A C 0.631 178.147 177.584 -0.113 0.000 1.178 145 A CA -0.575 51.440 52.037 -0.037 0.000 0.817 145 A CB 0.230 19.205 19.000 -0.042 0.000 1.189 145 A HN 1.209 nan 8.150 nan 0.000 0.489 146 S N 0.634 116.244 115.700 -0.151 0.000 3.521 146 S HA -0.172 4.299 4.470 0.001 0.000 0.328 146 S C 1.406 175.928 174.600 -0.130 0.000 1.165 146 S CA 1.822 59.870 58.200 -0.252 0.000 0.941 146 S CB -1.623 61.144 63.200 -0.722 0.000 0.951 146 S HN 2.803 nan 8.310 nan 0.000 0.539 147 G N -0.114 108.672 108.800 -0.023 0.000 2.179 147 G HA2 -0.324 3.636 3.960 0.001 0.000 0.260 147 G HA3 -0.324 3.636 3.960 0.001 0.000 0.260 147 G C 0.181 175.135 174.900 0.090 0.000 0.977 147 G CA 0.779 45.908 45.100 0.050 0.000 0.641 147 G HN 1.483 nan 8.290 nan 0.000 0.533 148 S N -0.181 115.574 115.700 0.093 0.000 2.579 148 S HA 0.370 4.840 4.470 0.001 0.000 0.275 148 S C 1.307 175.943 174.600 0.060 0.000 1.345 148 S CA 0.454 58.738 58.200 0.140 0.000 1.031 148 S CB 0.634 63.986 63.200 0.253 0.000 0.892 148 S HN 0.191 nan 8.310 nan 0.000 0.529 149 D N 2.079 122.449 120.400 -0.050 0.000 2.312 149 D HA 0.018 4.658 4.640 0.001 0.000 0.211 149 D C -0.101 176.022 176.300 -0.295 0.000 0.964 149 D CA 0.364 54.230 54.000 -0.223 0.000 0.877 149 D CB 0.021 40.569 40.800 -0.420 0.000 0.924 149 D HN 0.585 nan 8.370 nan 0.000 0.515 150 W N 0.681 121.912 121.300 -0.115 0.000 2.181 150 W HA 0.209 4.870 4.660 0.001 0.000 0.335 150 W C 0.261 176.738 176.519 -0.070 0.000 1.310 150 W CA -0.357 56.928 57.345 -0.100 0.000 1.226 150 W CB 0.730 30.159 29.460 -0.052 0.000 1.155 150 W HN -0.386 nan 8.180 nan 0.000 0.565 151 V N 2.568 122.619 119.914 0.229 0.000 2.876 151 V HA 0.485 4.606 4.120 0.001 0.000 0.312 151 V C -0.263 175.867 176.094 0.060 0.000 1.085 151 V CA -0.946 61.412 62.300 0.097 0.000 0.945 151 V CB 2.356 34.200 31.823 0.036 0.000 1.017 151 V HN 0.419 nan 8.190 nan 0.000 0.428 152 T N 4.846 119.387 114.554 -0.021 0.000 2.786 152 T HA 0.624 4.975 4.350 0.001 0.000 0.283 152 T C -0.341 174.239 174.700 -0.199 0.000 0.992 152 T CA -0.137 61.906 62.100 -0.094 0.000 0.954 152 T CB 0.849 69.663 68.868 -0.090 0.000 0.934 152 T HN 0.373 nan 8.240 nan 0.000 0.440 153 I N 3.639 124.038 120.570 -0.285 0.000 2.365 153 I HA 0.405 4.575 4.170 0.001 0.000 0.291 153 I C 0.471 176.243 176.117 -0.575 0.000 1.004 153 I CA -0.573 60.439 61.300 -0.481 0.000 1.311 153 I CB 0.978 38.658 38.000 -0.533 0.000 1.401 153 I HN 0.347 nan 8.210 nan 0.000 0.491 154 K N 5.197 125.042 120.400 -0.924 0.000 2.350 154 K HA 0.706 5.026 4.320 0.001 0.000 0.241 154 K C -1.406 174.624 176.600 -0.951 0.000 0.994 154 K CA -0.718 55.089 56.287 -0.799 0.000 0.839 154 K CB 2.239 34.245 32.500 -0.824 0.000 1.244 154 K HN 0.216 nan 8.250 nan 0.000 0.443 155 F N 0.679 120.508 119.950 -0.202 0.000 2.588 155 F HA 0.567 5.094 4.527 0.001 0.000 0.314 155 F C -0.208 175.769 175.800 0.295 0.000 1.069 155 F CA -0.816 57.248 58.000 0.106 0.000 0.931 155 F CB 1.851 40.943 39.000 0.154 0.000 1.260 155 F HN 0.156 nan 8.300 nan 0.000 0.465 156 M N 1.571 121.535 119.600 0.606 0.000 2.484 156 M HA 0.333 4.814 4.480 0.001 0.000 0.289 156 M C -1.080 175.453 176.300 0.389 0.000 1.206 156 M CA -0.821 54.744 55.300 0.442 0.000 0.892 156 M CB 3.026 35.835 32.600 0.349 0.000 1.712 156 M HN 0.483 nan 8.290 nan 0.000 0.462 157 K N 1.451 121.962 120.400 0.184 0.000 2.227 157 K HA 0.390 4.711 4.320 0.001 0.000 0.280 157 K C 0.270 176.879 176.600 0.015 0.000 1.041 157 K CA -0.346 55.849 56.287 -0.153 0.000 0.905 157 K CB 1.342 33.749 32.500 -0.155 0.000 1.068 157 K HN 0.611 nan 8.250 nan 0.000 0.470 158 V N 2.471 122.392 119.914 0.012 0.000 2.287 158 V HA -0.213 3.907 4.120 0.001 0.000 0.248 158 V C 0.736 176.934 176.094 0.173 0.000 1.053 158 V CA 1.656 64.100 62.300 0.240 0.000 1.027 158 V CB -0.527 31.391 31.823 0.159 0.000 0.646 158 V HN 0.885 nan 8.190 nan 0.000 0.447 159 D N -0.034 120.380 120.400 0.024 0.000 2.349 159 D HA 0.358 4.998 4.640 0.001 0.000 0.266 159 D C 1.059 177.379 176.300 0.034 0.000 1.293 159 D CA 1.129 55.140 54.000 0.017 0.000 0.926 159 D CB 0.141 40.930 40.800 -0.018 0.000 1.090 159 D HN 0.437 nan 8.370 nan 0.000 0.502 160 G N 3.166 111.998 108.800 0.054 0.000 2.175 160 G HA2 -0.135 3.826 3.960 0.001 0.000 0.244 160 G HA3 -0.135 3.826 3.960 0.001 0.000 0.244 160 G C 0.764 175.687 174.900 0.038 0.000 0.982 160 G CA 0.360 45.483 45.100 0.038 0.000 0.641 160 G HN 1.686 nan 8.290 nan 0.000 0.527 161 A N -1.040 121.834 122.820 0.090 0.000 2.560 161 A HA -0.070 4.250 4.320 0.001 0.000 0.299 161 A C 0.717 178.269 177.584 -0.053 0.000 1.484 161 A CA 2.081 54.108 52.037 -0.018 0.000 0.749 161 A CB -1.188 17.715 19.000 -0.162 0.000 1.072 161 A HN 0.953 nan 8.150 nan 0.000 0.426 162 K N 1.313 121.723 120.400 0.017 0.000 2.234 162 K HA 0.335 4.656 4.320 0.001 0.000 0.282 162 K C 0.310 176.956 176.600 0.076 0.000 1.039 162 K CA -0.326 55.983 56.287 0.036 0.000 0.928 162 K CB 0.728 33.260 32.500 0.054 0.000 1.039 162 K HN 0.548 nan 8.250 nan 0.000 0.470 163 E N 2.926 123.167 120.200 0.069 0.000 2.338 163 E HA 0.172 4.522 4.350 0.001 0.000 0.272 163 E C 0.257 176.940 176.600 0.138 0.000 1.029 163 E CA -0.188 56.281 56.400 0.114 0.000 0.872 163 E CB 0.826 30.575 29.700 0.081 0.000 1.015 163 E HN 0.348 nan 8.360 nan 0.000 0.417 164 L N 3.978 125.316 121.223 0.192 0.000 2.334 164 L HA 0.321 4.662 4.340 0.001 0.000 0.270 164 L C -1.076 175.869 176.870 0.125 0.000 1.018 164 L CA -1.759 53.186 54.840 0.175 0.000 0.811 164 L CB 1.240 43.447 42.059 0.247 0.000 1.271 164 L HN 0.341 nan 8.230 nan 0.000 0.443 165 P HA 0.000 nan 4.420 nan 0.000 0.236 165 P C -0.453 176.862 177.300 0.026 0.000 1.177 165 P CA 0.134 63.260 63.100 0.043 0.000 0.773 165 P CB -0.003 31.712 31.700 0.024 0.000 0.878 166 D N 0.472 120.887 120.400 0.025 0.000 2.450 166 D HA 0.194 4.835 4.640 0.001 0.000 0.247 166 D C -0.149 176.172 176.300 0.035 0.000 1.162 166 D CA 0.597 54.578 54.000 -0.033 0.000 0.879 166 D CB 0.569 41.215 40.800 -0.257 0.000 1.163 166 D HN -0.109 nan 8.370 nan 0.000 0.472 167 V N 3.501 123.363 119.914 -0.086 0.000 2.668 167 V HA 0.325 4.445 4.120 0.001 0.000 0.304 167 V C -0.441 175.519 176.094 -0.223 0.000 1.071 167 V CA -0.825 61.406 62.300 -0.116 0.000 0.894 167 V CB 1.543 33.310 31.823 -0.094 0.000 1.008 167 V HN 0.373 nan 8.190 nan 0.000 0.425 168 L N 4.395 125.451 121.223 -0.278 0.000 2.313 168 L HA 0.702 5.042 4.340 0.001 0.000 0.283 168 L C -0.093 176.646 176.870 -0.219 0.000 1.013 168 L CA -0.498 54.128 54.840 -0.358 0.000 0.816 168 L CB 1.787 43.449 42.059 -0.662 0.000 1.236 168 L HN 0.522 nan 8.230 nan 0.000 0.419 169 E N 2.867 122.983 120.200 -0.141 0.000 2.264 169 E HA 0.480 4.831 4.350 0.001 0.000 0.260 169 E C -0.085 176.530 176.600 0.025 0.000 0.961 169 E CA -0.767 55.592 56.400 -0.067 0.000 0.834 169 E CB 1.387 31.035 29.700 -0.086 0.000 1.230 169 E HN 0.369 nan 8.360 nan 0.000 0.412 170 R N -1.489 119.047 120.500 0.060 0.000 3.878 170 R HA -0.115 4.226 4.340 0.001 0.000 0.330 170 R C -0.445 176.145 176.300 0.484 0.000 1.186 170 R CA 0.237 56.466 56.100 0.215 0.000 0.885 170 R CB -2.811 27.595 30.300 0.177 0.000 1.377 170 R HN 0.258 nan 8.270 nan 0.000 0.523 171 V N 1.229 121.372 119.914 0.381 0.000 2.498 171 V HA 0.463 4.584 4.120 0.001 0.000 0.279 171 V C 0.655 176.929 176.094 0.300 0.000 1.048 171 V CA 0.032 62.533 62.300 0.336 0.000 0.967 171 V CB 1.873 33.801 31.823 0.175 0.000 0.988 171 V HN 0.163 nan 8.190 nan 0.000 0.473 172 K N 3.701 124.215 120.400 0.188 0.000 2.569 172 K HA 0.410 4.731 4.320 0.001 0.000 0.259 172 K C -1.086 175.477 176.600 -0.063 0.000 0.932 172 K CA -0.795 55.366 56.287 -0.210 0.000 0.833 172 K CB 1.077 33.172 32.500 -0.674 0.000 1.340 172 K HN 0.321 nan 8.250 nan 0.000 0.429 173 F N -0.218 119.785 119.950 0.088 0.000 3.004 173 F HA -0.227 4.300 4.527 0.001 0.000 0.264 173 F C 0.167 176.027 175.800 0.100 0.000 0.979 173 F CA 0.838 58.890 58.000 0.086 0.000 0.896 173 F CB -1.948 37.117 39.000 0.108 0.000 0.813 173 F HN 0.314 nan 8.300 nan 0.000 0.804 174 S N -0.237 115.588 115.700 0.208 0.000 2.565 174 S HA 0.723 5.193 4.470 0.001 0.000 0.290 174 S C 0.348 175.041 174.600 0.155 0.000 1.150 174 S CA -0.300 58.010 58.200 0.183 0.000 1.058 174 S CB 0.965 64.281 63.200 0.194 0.000 1.032 174 S HN 0.606 nan 8.310 nan 0.000 0.510 175 C N 3.936 123.334 119.300 0.162 0.000 2.403 175 C HA 0.786 5.247 4.460 0.001 0.000 0.361 175 C C -0.105 174.993 174.990 0.180 0.000 1.274 175 C CA -0.864 58.246 59.018 0.153 0.000 2.433 175 C CB -0.477 27.354 27.740 0.152 0.000 2.323 175 C HN 0.826 nan 8.230 nan 0.000 0.614 176 M N 2.272 121.972 119.600 0.168 0.000 2.182 176 M HA 0.532 5.012 4.480 0.001 0.000 0.266 176 M C -0.717 175.717 176.300 0.225 0.000 0.989 176 M CA -0.006 55.387 55.300 0.154 0.000 1.003 176 M CB 1.886 34.522 32.600 0.060 0.000 1.812 176 M HN 1.040 nan 8.290 nan 0.000 0.472 177 A N 3.256 126.254 122.820 0.297 0.000 2.476 177 A HA 0.682 5.002 4.320 0.001 0.000 0.280 177 A C -1.990 175.898 177.584 0.507 0.000 1.081 177 A CA -0.470 51.824 52.037 0.429 0.000 0.753 177 A CB 0.724 19.990 19.000 0.443 0.000 1.248 177 A HN 0.858 nan 8.150 nan 0.000 0.424 178 W N 2.165 123.692 121.300 0.378 0.000 2.218 178 W HA 0.451 5.112 4.660 0.001 0.000 0.326 178 W C 1.129 177.909 176.519 0.435 0.000 1.276 178 W CA 0.515 58.070 57.345 0.350 0.000 1.210 178 W CB 1.116 30.749 29.460 0.289 0.000 1.143 178 W HN 0.735 nan 8.180 nan 0.000 0.563 179 T N -1.318 113.632 114.554 0.661 0.000 2.899 179 T HA 0.086 4.436 4.350 0.001 0.000 0.295 179 T C 0.760 175.802 174.700 0.571 0.000 1.033 179 T CA -0.334 62.104 62.100 0.564 0.000 1.084 179 T CB 0.665 69.788 68.868 0.425 0.000 0.979 179 T HN 0.580 nan 8.240 nan 0.000 0.532 180 H N 0.562 119.797 119.070 0.276 0.000 2.545 180 H HA -0.058 4.499 4.556 0.001 0.000 0.282 180 H C 1.409 176.836 175.328 0.164 0.000 1.020 180 H CA 0.820 56.992 56.048 0.207 0.000 1.243 180 H CB 0.222 30.085 29.762 0.169 0.000 1.377 180 H HN 0.769 nan 8.280 nan 0.000 0.581 181 D N -0.239 120.331 120.400 0.284 0.000 2.363 181 D HA -0.012 4.628 4.640 0.001 0.000 0.220 181 D C 1.720 178.124 176.300 0.172 0.000 0.994 181 D CA 0.724 54.837 54.000 0.189 0.000 0.890 181 D CB -0.347 40.543 40.800 0.149 0.000 0.906 181 D HN 0.347 nan 8.370 nan 0.000 0.530 182 G N 1.099 110.036 108.800 0.228 0.000 2.168 182 G HA2 -0.428 3.533 3.960 0.001 0.000 0.257 182 G HA3 -0.428 3.533 3.960 0.001 0.000 0.257 182 G C 0.887 175.905 174.900 0.197 0.000 0.997 182 G CA 0.720 45.937 45.100 0.195 0.000 0.708 182 G HN 0.550 nan 8.290 nan 0.000 0.520 183 K N -0.225 120.303 120.400 0.213 0.000 2.137 183 K HA 0.369 4.690 4.320 0.001 0.000 0.202 183 K C 1.405 178.018 176.600 0.022 0.000 1.052 183 K CA 1.498 57.856 56.287 0.118 0.000 0.961 183 K CB 0.003 32.590 32.500 0.146 0.000 0.741 183 K HN 0.802 nan 8.250 nan 0.000 0.452 184 G N -0.006 108.816 108.800 0.036 0.000 2.619 184 G HA2 0.434 4.395 3.960 0.001 0.000 0.305 184 G HA3 0.434 4.395 3.960 0.001 0.000 0.305 184 G C -1.910 172.675 174.900 -0.526 0.000 1.330 184 G CA -0.723 44.061 45.100 -0.526 0.000 0.789 184 G HN 0.108 nan 8.290 nan 0.000 0.487 185 M N 0.034 119.106 119.600 -0.880 0.000 2.378 185 M HA 0.650 5.130 4.480 0.001 0.000 0.289 185 M C -1.664 174.500 176.300 -0.227 0.000 1.136 185 M CA -0.692 54.289 55.300 -0.531 0.000 0.917 185 M CB 1.967 34.028 32.600 -0.899 0.000 1.669 185 M HN 0.358 nan 8.290 nan 0.000 0.461 186 F N 4.247 124.325 119.950 0.214 0.000 2.389 186 F HA 0.535 5.062 4.527 0.001 0.000 0.337 186 F C -0.184 175.798 175.800 0.303 0.000 1.112 186 F CA 0.401 58.590 58.000 0.315 0.000 1.192 186 F CB 0.640 39.828 39.000 0.313 0.000 1.185 186 F HN 0.528 nan 8.300 nan 0.000 0.552 187 Y N -0.615 119.892 120.300 0.345 0.000 2.713 187 Y HA 0.562 5.113 4.550 0.001 0.000 0.335 187 Y C -1.970 174.080 175.900 0.250 0.000 1.222 187 Y CA -1.936 56.293 58.100 0.216 0.000 1.061 187 Y CB 0.853 39.376 38.460 0.105 0.000 1.314 187 Y HN 0.531 nan 8.280 nan 0.000 0.453 188 N N 0.599 119.405 118.700 0.177 0.000 2.370 188 N HA 0.862 5.602 4.740 0.001 0.000 0.303 188 N C -1.498 174.134 175.510 0.204 0.000 1.103 188 N CA -0.595 52.503 53.050 0.079 0.000 0.848 188 N CB 2.220 40.755 38.487 0.082 0.000 1.235 188 N HN 0.966 nan 8.380 nan 0.000 0.496 189 A N 0.962 123.878 122.820 0.161 0.000 2.572 189 A HA 0.617 4.937 4.320 0.001 0.000 0.295 189 A C -1.929 175.751 177.584 0.161 0.000 1.072 189 A CA -0.513 51.688 52.037 0.272 0.000 0.691 189 A CB 0.705 19.899 19.000 0.323 0.000 1.291 189 A HN 0.607 nan 8.150 nan 0.000 0.404 190 Y N 1.207 121.708 120.300 0.334 0.000 2.453 190 Y HA 0.570 5.120 4.550 0.001 0.000 0.326 190 Y C -1.707 174.352 175.900 0.266 0.000 1.186 190 Y CA -1.821 56.470 58.100 0.319 0.000 1.200 190 Y CB 1.346 40.036 38.460 0.383 0.000 1.247 190 Y HN 0.519 nan 8.280 nan 0.000 0.482 191 P HA 0.019 nan 4.420 nan 0.000 0.274 191 P C -1.033 176.393 177.300 0.210 0.000 1.246 191 P CA -0.442 62.809 63.100 0.251 0.000 0.795 191 P CB 0.789 32.611 31.700 0.202 0.000 1.006 192 Q N 0.871 120.744 119.800 0.122 0.000 2.361 192 Q HA 0.028 4.368 4.340 0.001 0.000 0.276 192 Q C 0.449 176.496 176.000 0.078 0.000 1.022 192 Q CA 0.778 56.623 55.803 0.071 0.000 0.898 192 Q CB 0.308 29.066 28.738 0.033 0.000 1.246 192 Q HN 0.539 nan 8.270 nan 0.000 0.410 193 Q N 0.464 120.297 119.800 0.055 0.000 2.421 193 Q HA 0.481 4.822 4.340 0.001 0.000 0.280 193 Q C -1.142 174.873 176.000 0.026 0.000 1.085 193 Q CA -0.958 54.882 55.803 0.061 0.000 0.807 193 Q CB 1.731 30.529 28.738 0.100 0.000 1.405 193 Q HN 0.312 nan 8.270 nan 0.000 0.419 194 D N 0.543 120.961 120.400 0.028 0.000 2.362 194 D HA 0.446 5.086 4.640 0.001 0.000 0.242 194 D C 0.703 177.011 176.300 0.013 0.000 1.132 194 D CA 1.701 55.710 54.000 0.014 0.000 0.907 194 D CB 1.162 41.972 40.800 0.017 0.000 1.195 194 D HN 0.917 nan 8.370 nan 0.000 0.429 195 G N 1.237 110.037 108.800 0.001 0.000 2.587 195 G HA2 -0.200 3.761 3.960 0.001 0.000 0.212 195 G HA3 -0.200 3.761 3.960 0.001 0.000 0.212 195 G C -0.565 174.322 174.900 -0.022 0.000 1.327 195 G CA -0.646 44.454 45.100 -0.000 0.000 0.898 195 G HN 0.498 nan 8.290 nan 0.000 0.551 196 K N -0.529 119.861 120.400 -0.018 0.000 2.090 196 K HA 0.681 5.002 4.320 0.001 0.000 0.249 196 K C -0.095 176.464 176.600 -0.068 0.000 0.995 196 K CA -0.096 56.162 56.287 -0.047 0.000 0.914 196 K CB 1.320 33.806 32.500 -0.023 0.000 1.057 196 K HN 0.375 nan 8.250 nan 0.000 0.462 197 S N 1.560 117.142 115.700 -0.198 0.000 2.472 197 S HA 0.043 4.513 4.470 0.001 0.000 0.191 197 S C -0.878 173.380 174.600 -0.569 0.000 1.244 197 S CA -0.581 57.331 58.200 -0.480 0.000 1.227 197 S CB -0.003 62.625 63.200 -0.953 0.000 1.381 197 S HN 0.751 nan 8.310 nan 0.000 0.394 198 D N -0.263 120.095 120.400 -0.071 0.000 2.500 198 D HA 0.303 4.944 4.640 0.001 0.000 0.217 198 D C 1.240 177.775 176.300 0.391 0.000 1.159 198 D CA 0.467 54.534 54.000 0.111 0.000 0.828 198 D CB 0.067 40.933 40.800 0.109 0.000 1.039 198 D HN 0.480 nan 8.370 nan 0.000 0.512 199 G N 0.373 109.423 108.800 0.417 0.000 2.201 199 G HA2 -0.300 3.661 3.960 0.001 0.000 0.212 199 G HA3 -0.300 3.661 3.960 0.001 0.000 0.212 199 G C 1.099 176.072 174.900 0.121 0.000 0.994 199 G CA 0.582 45.897 45.100 0.358 0.000 0.644 199 G HN 0.601 nan 8.290 nan 0.000 0.508 200 T N -0.858 113.696 114.554 0.001 0.000 3.060 200 T HA 0.401 4.752 4.350 0.001 0.000 0.249 200 T C 0.861 175.549 174.700 -0.020 0.000 1.079 200 T CA 0.941 62.971 62.100 -0.116 0.000 1.013 200 T CB 0.334 69.070 68.868 -0.220 0.000 0.975 200 T HN 0.773 nan 8.240 nan 0.000 0.518 201 E N 2.120 122.352 120.200 0.053 0.000 2.314 201 E HA 0.209 4.559 4.350 0.001 0.000 0.262 201 E C 0.347 176.995 176.600 0.079 0.000 1.093 201 E CA -0.170 56.270 56.400 0.067 0.000 0.908 201 E CB 1.345 31.106 29.700 0.101 0.000 1.091 201 E HN 0.254 nan 8.360 nan 0.000 0.425 202 T N -2.224 112.377 114.554 0.078 0.000 3.044 202 T HA 0.143 4.493 4.350 0.001 0.000 0.260 202 T C 0.160 174.975 174.700 0.192 0.000 1.019 202 T CA -0.379 61.786 62.100 0.108 0.000 0.921 202 T CB -0.189 68.698 68.868 0.032 0.000 1.053 202 T HN 0.299 nan 8.240 nan 0.000 0.533 203 S N 2.892 118.682 115.700 0.150 0.000 2.593 203 S HA 0.168 4.638 4.470 0.001 0.000 0.300 203 S C 0.545 175.215 174.600 0.117 0.000 1.267 203 S CA -0.126 58.154 58.200 0.133 0.000 1.065 203 S CB 0.558 63.834 63.200 0.126 0.000 0.807 203 S HN 0.578 nan 8.310 nan 0.000 0.499 204 T N 2.725 117.332 114.554 0.089 0.000 2.926 204 T HA 0.095 4.445 4.350 0.001 0.000 0.307 204 T C -0.047 174.703 174.700 0.083 0.000 1.059 204 T CA -0.353 61.794 62.100 0.079 0.000 1.122 204 T CB -0.244 68.658 68.868 0.057 0.000 0.972 204 T HN 0.642 nan 8.240 nan 0.000 0.545 205 N N 4.085 122.835 118.700 0.083 0.000 2.457 205 N HA 0.548 5.288 4.740 0.001 0.000 0.250 205 N C -0.924 174.745 175.510 0.264 0.000 0.982 205 N CA -0.462 52.575 53.050 -0.022 0.000 0.941 205 N CB 0.976 39.267 38.487 -0.326 0.000 1.120 205 N HN 0.430 nan 8.380 nan 0.000 0.505 206 L N 1.022 122.430 121.223 0.309 0.000 2.327 206 L HA 0.482 4.823 4.340 0.001 0.000 0.258 206 L C -0.012 177.104 176.870 0.411 0.000 1.024 206 L CA -0.968 54.018 54.840 0.242 0.000 0.825 206 L CB 1.520 43.594 42.059 0.026 0.000 1.386 206 L HN 0.657 nan 8.230 nan 0.000 0.417 207 H N -0.065 119.145 119.070 0.233 0.000 2.826 207 H HA -0.166 4.390 4.556 0.001 0.000 0.306 207 H C 0.157 175.533 175.328 0.080 0.000 1.235 207 H CA 0.534 56.675 56.048 0.156 0.000 1.150 207 H CB -0.793 29.046 29.762 0.127 0.000 1.409 207 H HN 0.600 nan 8.280 nan 0.000 0.420 208 Q N 1.193 121.011 119.800 0.030 0.000 2.337 208 Q HA 0.211 4.552 4.340 0.001 0.000 0.270 208 Q C -0.125 175.799 176.000 -0.126 0.000 1.002 208 Q CA 0.441 56.015 55.803 -0.381 0.000 0.888 208 Q CB 0.699 29.145 28.738 -0.487 0.000 1.222 208 Q HN 0.352 nan 8.270 nan 0.000 0.400 209 K N 2.715 123.017 120.400 -0.162 0.000 2.350 209 K HA 0.483 4.803 4.320 0.001 0.000 0.241 209 K C -1.304 175.138 176.600 -0.263 0.000 0.994 209 K CA -1.000 55.136 56.287 -0.251 0.000 0.839 209 K CB 1.325 33.606 32.500 -0.366 0.000 1.244 209 K HN 0.426 nan 8.250 nan 0.000 0.443 210 L N 1.974 122.993 121.223 -0.340 0.000 2.287 210 L HA 0.421 4.761 4.340 0.001 0.000 0.287 210 L C -1.642 175.053 176.870 -0.292 0.000 1.022 210 L CA -0.026 54.703 54.840 -0.185 0.000 0.814 210 L CB 0.298 42.334 42.059 -0.039 0.000 1.217 210 L HN 0.471 nan 8.230 nan 0.000 0.420 211 Y N 3.756 123.943 120.300 -0.188 0.000 2.630 211 Y HA 0.496 5.047 4.550 0.001 0.000 0.337 211 Y C -1.216 174.721 175.900 0.062 0.000 1.051 211 Y CA -0.349 57.656 58.100 -0.157 0.000 1.121 211 Y CB 1.736 39.913 38.460 -0.472 0.000 1.299 211 Y HN 0.505 nan 8.280 nan 0.000 0.498 212 Y N 1.191 121.611 120.300 0.200 0.000 2.338 212 Y HA 0.387 4.937 4.550 0.001 0.000 0.333 212 Y C -1.239 174.752 175.900 0.152 0.000 0.968 212 Y CA -1.113 56.998 58.100 0.018 0.000 1.123 212 Y CB 0.642 38.980 38.460 -0.203 0.000 1.165 212 Y HN 0.694 nan 8.280 nan 0.000 0.452 213 H N 4.825 123.696 119.070 -0.331 0.000 2.504 213 H HA 0.585 5.142 4.556 0.001 0.000 0.322 213 H C -1.430 173.506 175.328 -0.652 0.000 1.055 213 H CA -0.578 55.279 56.048 -0.319 0.000 1.231 213 H CB 0.997 30.626 29.762 -0.222 0.000 1.417 213 H HN 0.505 nan 8.280 nan 0.000 0.472 214 V N 7.013 126.376 119.914 -0.918 0.000 2.461 214 V HA 0.031 4.151 4.120 0.001 0.000 0.275 214 V C 0.241 175.768 176.094 -0.947 0.000 1.047 214 V CA -0.718 61.145 62.300 -0.729 0.000 0.955 214 V CB 0.655 32.278 31.823 -0.334 0.000 0.988 214 V HN 0.673 nan 8.190 nan 0.000 0.471 215 L N 5.332 126.158 121.223 -0.662 0.000 2.540 215 L HA 0.493 4.833 4.340 0.001 0.000 0.276 215 L C 1.170 177.820 176.870 -0.366 0.000 1.212 215 L CA 1.922 56.439 54.840 -0.538 0.000 0.893 215 L CB 0.329 42.202 42.059 -0.310 0.000 1.138 215 L HN 0.975 nan 8.230 nan 0.000 0.491 216 G N 1.633 110.263 108.800 -0.284 0.000 2.159 216 G HA2 -0.218 3.742 3.960 0.001 0.000 0.227 216 G HA3 -0.218 3.742 3.960 0.001 0.000 0.227 216 G C 0.216 175.035 174.900 -0.136 0.000 0.986 216 G CA 0.277 45.281 45.100 -0.159 0.000 0.651 216 G HN 1.057 nan 8.290 nan 0.000 0.523 217 T N -2.093 112.352 114.554 -0.181 0.000 2.926 217 T HA 0.672 5.022 4.350 0.001 0.000 0.289 217 T C -0.838 173.878 174.700 0.027 0.000 1.054 217 T CA -0.528 61.513 62.100 -0.099 0.000 1.015 217 T CB 2.660 71.435 68.868 -0.154 0.000 1.167 217 T HN -0.039 nan 8.240 nan 0.000 0.526 218 D N 0.797 121.211 120.400 0.023 0.000 2.313 218 D HA 0.150 4.791 4.640 0.001 0.000 0.247 218 D C 1.146 177.483 176.300 0.062 0.000 1.094 218 D CA -0.304 53.714 54.000 0.031 0.000 0.925 218 D CB 1.612 42.412 40.800 -0.000 0.000 1.188 218 D HN 0.793 nan 8.370 nan 0.000 0.430 219 Q N 1.061 120.862 119.800 0.002 0.000 2.234 219 Q HA -0.194 4.146 4.340 0.001 0.000 0.206 219 Q C 1.556 177.555 176.000 -0.002 0.000 0.980 219 Q CA 1.619 57.408 55.803 -0.023 0.000 0.869 219 Q CB 0.116 28.776 28.738 -0.131 0.000 0.912 219 Q HN 0.524 nan 8.270 nan 0.000 0.436 220 S N -0.234 115.462 115.700 -0.008 0.000 2.440 220 S HA -0.167 4.304 4.470 0.001 0.000 0.238 220 S C 1.167 175.781 174.600 0.023 0.000 1.010 220 S CA 1.330 59.528 58.200 -0.003 0.000 0.972 220 S CB -0.156 63.042 63.200 -0.004 0.000 0.774 220 S HN 0.488 nan 8.310 nan 0.000 0.501 221 E N 1.130 121.351 120.200 0.036 0.000 2.489 221 E HA 0.111 4.462 4.350 0.001 0.000 0.193 221 E C -0.604 176.044 176.600 0.080 0.000 1.057 221 E CA -0.172 56.254 56.400 0.044 0.000 0.866 221 E CB -0.017 29.694 29.700 0.018 0.000 0.916 221 E HN 0.510 nan 8.360 nan 0.000 0.500 222 D N 1.100 121.567 120.400 0.112 0.000 2.472 222 D HA -0.009 4.632 4.640 0.001 0.000 0.237 222 D C 0.109 176.565 176.300 0.260 0.000 1.141 222 D CA 0.353 54.467 54.000 0.191 0.000 0.875 222 D CB 0.701 41.630 40.800 0.215 0.000 1.192 222 D HN -0.059 nan 8.370 nan 0.000 0.450 223 I N 2.124 122.872 120.570 0.298 0.000 2.395 223 I HA 0.088 4.258 4.170 0.001 0.000 0.289 223 I C 0.335 176.636 176.117 0.306 0.000 1.023 223 I CA -0.798 60.661 61.300 0.266 0.000 1.350 223 I CB 0.521 38.646 38.000 0.209 0.000 1.409 223 I HN 0.209 nan 8.210 nan 0.000 0.507 224 L N 6.982 128.307 121.223 0.170 0.000 2.278 224 L HA 0.259 4.600 4.340 0.001 0.000 0.287 224 L C 0.404 177.270 176.870 -0.008 0.000 1.072 224 L CA 0.438 55.225 54.840 -0.088 0.000 0.819 224 L CB 0.836 42.823 42.059 -0.121 0.000 1.176 224 L HN 0.745 nan 8.230 nan 0.000 0.435 225 C N 3.737 123.054 119.300 0.028 0.000 2.791 225 C HA 0.754 5.215 4.460 0.001 0.000 0.288 225 C C 0.850 176.023 174.990 0.304 0.000 1.271 225 C CA 0.114 59.254 59.018 0.203 0.000 1.726 225 C CB -0.813 27.165 27.740 0.395 0.000 2.145 225 C HN 0.905 nan 8.230 nan 0.000 0.572 226 A N 1.110 123.961 122.820 0.051 0.000 2.540 226 A HA 0.675 4.995 4.320 0.001 0.000 0.297 226 A C -1.143 176.130 177.584 -0.519 0.000 1.056 226 A CA -0.369 51.601 52.037 -0.112 0.000 0.700 226 A CB 1.004 19.927 19.000 -0.128 0.000 1.280 226 A HN 0.495 nan 8.150 nan 0.000 0.398 227 E N 0.226 119.974 120.200 -0.753 0.000 2.412 227 E HA 0.728 5.079 4.350 0.001 0.000 0.279 227 E C -1.889 174.125 176.600 -0.977 0.000 0.984 227 E CA -0.859 55.031 56.400 -0.851 0.000 0.788 227 E CB 1.423 30.904 29.700 -0.365 0.000 1.277 227 E HN 0.448 nan 8.360 nan 0.000 0.455 228 F N 0.728 120.702 119.950 0.040 0.000 2.660 228 F HA 0.372 4.899 4.527 0.001 0.000 0.352 228 F C -2.228 173.552 175.800 -0.033 0.000 1.257 228 F CA -2.254 55.735 58.000 -0.018 0.000 1.200 228 F CB 1.429 40.410 39.000 -0.033 0.000 1.473 228 F HN 0.345 nan 8.300 nan 0.000 0.561 229 P HA -0.133 nan 4.420 nan 0.000 0.219 229 P C 0.725 178.086 177.300 0.102 0.000 1.146 229 P CA 1.470 64.646 63.100 0.126 0.000 0.808 229 P CB 0.338 32.058 31.700 0.033 0.000 0.779 230 D N -1.286 119.102 120.400 -0.020 0.000 2.349 230 D HA 0.027 4.668 4.640 0.001 0.000 0.214 230 D C 0.261 176.418 176.300 -0.238 0.000 1.063 230 D CA 0.639 54.583 54.000 -0.094 0.000 0.847 230 D CB 0.185 40.923 40.800 -0.103 0.000 0.933 230 D HN 0.192 nan 8.370 nan 0.000 0.513 231 E N 0.470 120.459 120.200 -0.352 0.000 3.132 231 E HA 0.173 4.523 4.350 0.001 0.000 0.241 231 E C -1.999 174.357 176.600 -0.408 0.000 1.196 231 E CA -1.577 54.445 56.400 -0.630 0.000 0.869 231 E CB 1.868 30.547 29.700 -1.701 0.000 1.387 231 E HN -0.049 nan 8.360 nan 0.000 0.393 232 P HA -0.157 nan 4.420 nan 0.000 0.218 232 P C 0.971 178.074 177.300 -0.329 0.000 1.146 232 P CA 1.310 64.052 63.100 -0.597 0.000 0.813 232 P CB 0.381 31.738 31.700 -0.572 0.000 0.778 233 K N -3.120 117.155 120.400 -0.209 0.000 2.400 233 K HA -0.010 4.310 4.320 0.001 0.000 0.194 233 K C 0.310 177.026 176.600 0.194 0.000 1.033 233 K CA -0.012 56.221 56.287 -0.091 0.000 1.021 233 K CB -0.027 32.400 32.500 -0.121 0.000 0.808 233 K HN 0.143 nan 8.250 nan 0.000 0.505 234 W N 1.661 122.913 121.300 -0.081 0.000 2.158 234 W HA 0.180 4.840 4.660 0.001 0.000 0.339 234 W C 0.180 176.677 176.519 -0.036 0.000 1.294 234 W CA -0.227 57.032 57.345 -0.142 0.000 1.231 234 W CB 0.013 29.236 29.460 -0.394 0.000 1.143 234 W HN -0.090 nan 8.180 nan 0.000 0.571 235 M N 2.791 122.452 119.600 0.101 0.000 2.165 235 M HA 0.389 4.869 4.480 0.001 0.000 0.283 235 M C 0.224 176.530 176.300 0.009 0.000 0.978 235 M CA -0.407 54.962 55.300 0.115 0.000 0.948 235 M CB 2.028 34.683 32.600 0.093 0.000 1.599 235 M HN 0.490 nan 8.290 nan 0.000 0.450 236 G N 1.613 110.489 108.800 0.126 0.000 2.437 236 G HA2 0.662 4.622 3.960 0.001 0.000 0.315 236 G HA3 0.662 4.622 3.960 0.001 0.000 0.315 236 G C -0.370 174.524 174.900 -0.009 0.000 1.210 236 G CA -0.545 44.549 45.100 -0.009 0.000 0.943 236 G HN 0.822 nan 8.290 nan 0.000 0.471 237 G N 0.481 109.257 108.800 -0.039 0.000 2.356 237 G HA2 0.698 4.659 3.960 0.001 0.000 0.322 237 G HA3 0.698 4.659 3.960 0.001 0.000 0.322 237 G C -0.056 174.837 174.900 -0.011 0.000 1.125 237 G CA -0.024 45.083 45.100 0.011 0.000 0.885 237 G HN 0.977 nan 8.290 nan 0.000 0.467 238 A N 2.079 124.906 122.820 0.011 0.000 2.312 238 A HA 0.861 5.181 4.320 0.001 0.000 0.328 238 A C 0.046 177.669 177.584 0.065 0.000 1.158 238 A CA -0.654 51.363 52.037 -0.033 0.000 0.821 238 A CB 0.972 19.811 19.000 -0.269 0.000 1.170 238 A HN 0.892 nan 8.150 nan 0.000 0.490 239 E N 1.569 121.816 120.200 0.079 0.000 2.392 239 E HA 0.535 4.885 4.350 0.001 0.000 0.279 239 E C -1.805 174.887 176.600 0.153 0.000 0.964 239 E CA -0.905 55.592 56.400 0.160 0.000 0.777 239 E CB 1.054 30.856 29.700 0.169 0.000 1.249 239 E HN 0.362 nan 8.360 nan 0.000 0.449 240 L N 2.371 123.733 121.223 0.231 0.000 2.325 240 L HA 0.335 4.676 4.340 0.001 0.000 0.279 240 L C 0.670 177.617 176.870 0.128 0.000 1.054 240 L CA -0.382 54.578 54.840 0.200 0.000 0.804 240 L CB 1.457 43.683 42.059 0.278 0.000 1.200 240 L HN 0.879 nan 8.230 nan 0.000 0.436 241 S N 0.718 116.452 115.700 0.056 0.000 2.584 241 S HA 0.073 4.544 4.470 0.001 0.000 0.270 241 S C 0.766 175.483 174.600 0.196 0.000 1.346 241 S CA -0.648 57.569 58.200 0.028 0.000 1.018 241 S CB 0.876 64.160 63.200 0.139 0.000 0.899 241 S HN 0.551 nan 8.310 nan 0.000 0.542 242 D N 1.377 121.970 120.400 0.322 0.000 2.190 242 D HA -0.129 4.512 4.640 0.001 0.000 0.200 242 D C 1.224 177.690 176.300 0.276 0.000 0.992 242 D CA 1.748 55.929 54.000 0.302 0.000 0.854 242 D CB -0.439 40.486 40.800 0.207 0.000 0.936 242 D HN 0.888 nan 8.370 nan 0.000 0.462 243 D N -1.168 119.324 120.400 0.153 0.000 2.340 243 D HA 0.113 4.754 4.640 0.001 0.000 0.220 243 D C 1.567 177.871 176.300 0.007 0.000 1.039 243 D CA 0.745 54.815 54.000 0.116 0.000 0.866 243 D CB -0.283 40.563 40.800 0.076 0.000 0.913 243 D HN 0.178 nan 8.370 nan 0.000 0.523 244 G N 1.100 109.741 108.800 -0.265 0.000 2.175 244 G HA2 -0.461 3.500 3.960 0.001 0.000 0.265 244 G HA3 -0.461 3.500 3.960 0.001 0.000 0.265 244 G C 1.140 175.910 174.900 -0.217 0.000 0.979 244 G CA 0.539 45.218 45.100 -0.703 0.000 0.663 244 G HN 0.527 nan 8.290 nan 0.000 0.533 245 R N -1.039 119.412 120.500 -0.082 0.000 2.153 245 R HA 0.251 4.591 4.340 0.001 0.000 0.218 245 R C 0.218 176.358 176.300 -0.267 0.000 1.072 245 R CA 0.761 56.755 56.100 -0.177 0.000 0.990 245 R CB 0.024 30.173 30.300 -0.252 0.000 0.889 245 R HN 0.443 nan 8.270 nan 0.000 0.452 246 Y N -1.004 119.353 120.300 0.094 0.000 2.485 246 Y HA 0.402 4.953 4.550 0.001 0.000 0.345 246 Y C -0.578 175.398 175.900 0.126 0.000 0.998 246 Y CA -1.156 57.038 58.100 0.157 0.000 1.059 246 Y CB 2.191 40.809 38.460 0.263 0.000 1.234 246 Y HN -0.366 nan 8.280 nan 0.000 0.461 247 V N 4.831 124.929 119.914 0.307 0.000 2.370 247 V HA 0.337 4.457 4.120 0.001 0.000 0.279 247 V C -0.320 175.976 176.094 0.338 0.000 1.029 247 V CA -0.752 61.675 62.300 0.212 0.000 0.870 247 V CB 0.988 32.839 31.823 0.048 0.000 0.984 247 V HN 0.551 nan 8.190 nan 0.000 0.451 248 L N 5.762 127.125 121.223 0.233 0.000 2.282 248 L HA 0.540 4.881 4.340 0.001 0.000 0.288 248 L C -0.615 176.347 176.870 0.153 0.000 1.033 248 L CA -0.651 54.331 54.840 0.237 0.000 0.807 248 L CB 1.671 43.812 42.059 0.137 0.000 1.209 248 L HN 0.455 nan 8.230 nan 0.000 0.423 249 L N 2.904 124.183 121.223 0.094 0.000 2.280 249 L HA 0.387 4.727 4.340 0.001 0.000 0.287 249 L C -0.200 176.528 176.870 -0.237 0.000 1.023 249 L CA 0.304 55.038 54.840 -0.176 0.000 0.819 249 L CB 1.622 43.318 42.059 -0.604 0.000 1.212 249 L HN 0.474 nan 8.230 nan 0.000 0.420 250 S N 6.329 121.920 115.700 -0.181 0.000 2.422 250 S HA 0.600 5.070 4.470 0.001 0.000 0.308 250 S C -0.206 174.223 174.600 -0.286 0.000 1.097 250 S CA -0.360 57.731 58.200 -0.182 0.000 1.099 250 S CB 0.398 63.575 63.200 -0.038 0.000 0.976 250 S HN 0.461 nan 8.310 nan 0.000 0.471 251 I N 4.033 124.330 120.570 -0.455 0.000 2.359 251 I HA 0.469 4.639 4.170 0.001 0.000 0.294 251 I C 0.352 176.280 176.117 -0.316 0.000 0.987 251 I CA -0.520 60.451 61.300 -0.548 0.000 1.225 251 I CB 1.108 38.474 38.000 -1.058 0.000 1.366 251 I HN 0.346 nan 8.210 nan 0.000 0.466 252 R N 4.465 124.801 120.500 -0.273 0.000 2.803 252 R HA 0.577 4.917 4.340 0.001 0.000 0.276 252 R C -0.879 175.200 176.300 -0.370 0.000 0.978 252 R CA -0.923 55.027 56.100 -0.250 0.000 0.939 252 R CB 2.597 32.807 30.300 -0.149 0.000 1.179 252 R HN 0.545 nan 8.270 nan 0.000 0.472 253 E N 1.159 121.020 120.200 -0.565 0.000 2.502 253 E HA 0.368 4.719 4.350 0.001 0.000 0.261 253 E C -0.666 175.761 176.600 -0.288 0.000 0.974 253 E CA -0.195 55.960 56.400 -0.408 0.000 0.795 253 E CB 1.075 30.425 29.700 -0.584 0.000 1.385 253 E HN 0.860 nan 8.360 nan 0.000 0.400 254 G N 1.461 110.206 108.800 -0.092 0.000 2.610 254 G HA2 -0.229 3.732 3.960 0.001 0.000 0.304 254 G HA3 -0.229 3.732 3.960 0.001 0.000 0.304 254 G C 0.280 175.181 174.900 0.001 0.000 1.309 254 G CA -0.343 44.752 45.100 -0.010 0.000 0.906 254 G HN 0.550 nan 8.290 nan 0.000 0.521 255 C N 0.666 120.028 119.300 0.103 0.000 2.855 255 C HA 0.373 4.833 4.460 0.001 0.000 0.279 255 C C 0.672 175.733 174.990 0.118 0.000 1.270 255 C CA -0.536 58.570 59.018 0.146 0.000 1.702 255 C CB -1.236 26.720 27.740 0.359 0.000 1.949 255 C HN 0.606 nan 8.230 nan 0.000 0.618 256 D N 2.399 122.839 120.400 0.067 0.000 2.399 256 D HA 0.144 4.784 4.640 0.001 0.000 0.241 256 D C -2.273 174.055 176.300 0.046 0.000 1.133 256 D CA -0.985 53.065 54.000 0.082 0.000 0.890 256 D CB 0.574 41.404 40.800 0.050 0.000 1.201 256 D HN 0.086 nan 8.370 nan 0.000 0.432 257 P HA 0.074 nan 4.420 nan 0.000 0.230 257 P C -0.878 176.454 177.300 0.054 0.000 1.791 257 P CA -0.053 63.090 63.100 0.071 0.000 1.020 257 P CB 0.069 31.849 31.700 0.133 0.000 1.977 258 V N -0.527 119.409 119.914 0.037 0.000 3.087 258 V HA 0.793 4.914 4.120 0.001 0.000 0.306 258 V C -1.471 174.678 176.094 0.091 0.000 1.187 258 V CA -1.011 61.325 62.300 0.059 0.000 0.999 258 V CB 3.156 35.031 31.823 0.087 0.000 1.049 258 V HN 0.392 nan 8.190 nan 0.000 0.431 259 N N 1.202 119.992 118.700 0.151 0.000 2.636 259 N HA 0.398 5.139 4.740 0.001 0.000 0.261 259 N C -1.322 174.194 175.510 0.011 0.000 1.195 259 N CA -0.898 52.221 53.050 0.115 0.000 0.902 259 N CB 2.312 40.812 38.487 0.022 0.000 1.627 259 N HN 0.831 nan 8.380 nan 0.000 0.491 260 R N 0.131 120.480 120.500 -0.253 0.000 2.560 260 R HA 0.451 4.791 4.340 0.001 0.000 0.270 260 R C -0.643 175.436 176.300 -0.369 0.000 1.074 260 R CA -0.666 55.163 56.100 -0.452 0.000 1.140 260 R CB 0.672 30.471 30.300 -0.835 0.000 1.073 260 R HN 0.469 nan 8.270 nan 0.000 0.527 261 L N 3.030 124.093 121.223 -0.267 0.000 2.491 261 L HA 0.395 4.735 4.340 0.001 0.000 0.267 261 L C -1.860 175.065 176.870 0.093 0.000 0.971 261 L CA -0.338 54.400 54.840 -0.169 0.000 0.857 261 L CB 1.256 43.181 42.059 -0.224 0.000 1.226 261 L HN 0.652 nan 8.230 nan 0.000 0.408 262 W N 4.837 126.034 121.300 -0.172 0.000 2.736 262 W HA 0.638 5.299 4.660 0.001 0.000 0.355 262 W C -0.336 176.253 176.519 0.115 0.000 1.102 262 W CA -0.953 56.320 57.345 -0.120 0.000 1.164 262 W CB 1.043 30.381 29.460 -0.202 0.000 1.422 262 W HN 0.492 nan 8.180 nan 0.000 0.572 263 Y N -0.943 119.560 120.300 0.338 0.000 2.588 263 Y HA 0.682 5.233 4.550 0.001 0.000 0.343 263 Y C -1.138 174.964 175.900 0.338 0.000 1.065 263 Y CA -2.009 56.287 58.100 0.327 0.000 1.038 263 Y CB 1.458 39.932 38.460 0.024 0.000 1.297 263 Y HN 0.508 nan 8.280 nan 0.000 0.467 264 C N 3.317 122.890 119.300 0.455 0.000 2.381 264 C HA 0.418 4.879 4.460 0.001 0.000 0.328 264 C C -0.945 174.189 174.990 0.239 0.000 1.190 264 C CA -0.573 58.496 59.018 0.085 0.000 1.369 264 C CB -0.036 27.424 27.740 -0.467 0.000 2.029 264 C HN 0.910 nan 8.230 nan 0.000 0.448 265 D N 4.636 125.176 120.400 0.233 0.000 2.344 265 D HA 0.124 4.764 4.640 0.001 0.000 0.253 265 D C 1.187 177.427 176.300 -0.100 0.000 1.255 265 D CA 0.061 54.052 54.000 -0.015 0.000 0.894 265 D CB 0.649 41.483 40.800 0.057 0.000 1.067 265 D HN 0.722 nan 8.370 nan 0.000 0.492 266 L N 2.885 124.029 121.223 -0.131 0.000 2.187 266 L HA -0.176 4.165 4.340 0.001 0.000 0.213 266 L C 2.384 179.198 176.870 -0.093 0.000 1.100 266 L CA 0.818 55.599 54.840 -0.099 0.000 0.765 266 L CB -0.302 41.721 42.059 -0.060 0.000 0.904 266 L HN 0.503 nan 8.230 nan 0.000 0.437 267 Q N 0.158 119.892 119.800 -0.109 0.000 2.291 267 Q HA -0.190 4.151 4.340 0.001 0.000 0.205 267 Q C 1.655 177.621 176.000 -0.056 0.000 0.970 267 Q CA 1.199 56.957 55.803 -0.075 0.000 0.876 267 Q CB 0.141 28.831 28.738 -0.079 0.000 0.935 267 Q HN 0.538 nan 8.270 nan 0.000 0.455 268 Q N 0.469 120.234 119.800 -0.059 0.000 2.360 268 Q HA 0.079 4.420 4.340 0.001 0.000 0.202 268 Q C -0.314 175.650 176.000 -0.061 0.000 0.915 268 Q CA 0.155 55.932 55.803 -0.044 0.000 0.943 268 Q CB 0.539 29.263 28.738 -0.023 0.000 1.064 268 Q HN 0.290 nan 8.270 nan 0.000 0.511 269 E N 0.587 120.741 120.200 -0.076 0.000 2.316 269 E HA 0.073 4.423 4.350 0.001 0.000 0.275 269 E C 0.781 177.343 176.600 -0.062 0.000 1.029 269 E CA -0.016 56.332 56.400 -0.086 0.000 0.871 269 E CB 1.264 30.901 29.700 -0.105 0.000 1.022 269 E HN -0.004 nan 8.360 nan 0.000 0.418 270 S N 2.901 118.566 115.700 -0.057 0.000 2.402 270 S HA -0.235 4.236 4.470 0.001 0.000 0.233 270 S C 0.997 175.575 174.600 -0.036 0.000 1.030 270 S CA 1.640 59.815 58.200 -0.042 0.000 1.003 270 S CB -0.069 63.108 63.200 -0.039 0.000 0.813 270 S HN 0.566 nan 8.310 nan 0.000 0.477 271 N N -0.660 118.014 118.700 -0.042 0.000 2.820 271 N HA 0.361 5.102 4.740 0.001 0.000 0.209 271 N C -0.179 175.305 175.510 -0.043 0.000 1.406 271 N CA 0.664 53.693 53.050 -0.034 0.000 0.916 271 N CB 0.022 38.494 38.487 -0.025 0.000 1.532 271 N HN 0.310 nan 8.380 nan 0.000 0.559 272 G N 0.940 109.708 108.800 -0.055 0.000 2.697 272 G HA2 -0.260 3.701 3.960 0.001 0.000 0.240 272 G HA3 -0.260 3.701 3.960 0.001 0.000 0.240 272 G C -0.289 174.544 174.900 -0.111 0.000 1.346 272 G CA -0.224 44.831 45.100 -0.075 0.000 0.887 272 G HN 0.377 nan 8.290 nan 0.000 0.569 273 I N 2.014 122.482 120.570 -0.170 0.000 2.329 273 I HA 0.291 4.461 4.170 0.001 0.000 0.295 273 I C 1.674 177.721 176.117 -0.116 0.000 1.109 273 I CA 0.665 61.830 61.300 -0.224 0.000 1.297 273 I CB 0.658 38.327 38.000 -0.551 0.000 1.433 273 I HN 0.771 nan 8.210 nan 0.000 0.509 274 T N 0.500 115.012 114.554 -0.069 0.000 2.975 274 T HA 0.500 4.851 4.350 0.001 0.000 0.257 274 T C 0.629 175.328 174.700 -0.002 0.000 1.003 274 T CA 0.148 62.234 62.100 -0.023 0.000 0.932 274 T CB 0.863 69.717 68.868 -0.024 0.000 1.087 274 T HN 0.658 nan 8.240 nan 0.000 0.512 275 G N 1.292 110.085 108.800 -0.012 0.000 2.450 275 G HA2 0.429 4.389 3.960 0.001 0.000 0.273 275 G HA3 0.429 4.389 3.960 0.001 0.000 0.273 275 G C -1.615 173.289 174.900 0.006 0.000 1.221 275 G CA -0.939 44.167 45.100 0.010 0.000 0.900 275 G HN 0.194 nan 8.290 nan 0.000 0.483 276 I N 2.294 122.875 120.570 0.019 0.000 2.741 276 I HA 0.104 4.274 4.170 0.001 0.000 0.288 276 I C 0.945 177.029 176.117 -0.056 0.000 1.192 276 I CA 0.375 61.709 61.300 0.056 0.000 1.426 276 I CB -0.425 37.624 38.000 0.081 0.000 1.367 276 I HN 0.249 nan 8.210 nan 0.000 0.563 277 L N 6.917 128.014 121.223 -0.210 0.000 2.466 277 L HA 0.193 4.534 4.340 0.001 0.000 0.257 277 L C 1.014 177.544 176.870 -0.566 0.000 1.189 277 L CA -0.631 53.873 54.840 -0.561 0.000 0.813 277 L CB 0.091 41.517 42.059 -1.056 0.000 1.118 277 L HN 0.463 nan 8.230 nan 0.000 0.471 278 K N 1.788 121.920 120.400 -0.446 0.000 2.278 278 K HA 0.089 4.410 4.320 0.001 0.000 0.237 278 K C -1.081 175.339 176.600 -0.298 0.000 1.229 278 K CA -0.049 56.072 56.287 -0.277 0.000 1.155 278 K CB -0.209 32.177 32.500 -0.190 0.000 1.590 278 K HN 0.300 nan 8.250 nan 0.000 0.290 279 W N 1.387 122.609 121.300 -0.130 0.000 2.210 279 W HA 0.083 4.743 4.660 0.001 0.000 0.330 279 W C 0.246 176.520 176.519 -0.410 0.000 1.334 279 W CA -0.777 56.449 57.345 -0.198 0.000 1.227 279 W CB 0.556 29.960 29.460 -0.094 0.000 1.178 279 W HN 0.015 nan 8.180 nan 0.000 0.560 280 V N 4.620 124.337 119.914 -0.330 0.000 2.347 280 V HA 0.166 4.286 4.120 0.001 0.000 0.280 280 V C 0.151 175.886 176.094 -0.598 0.000 1.021 280 V CA -1.426 60.508 62.300 -0.610 0.000 0.847 280 V CB 1.012 32.184 31.823 -1.086 0.000 0.990 280 V HN 0.403 nan 8.190 nan 0.000 0.444 281 K N 4.825 124.874 120.400 -0.586 0.000 2.187 281 K HA 0.161 4.481 4.320 0.001 0.000 0.242 281 K C 0.910 177.346 176.600 -0.273 0.000 1.179 281 K CA -0.251 55.666 56.287 -0.617 0.000 1.097 281 K CB 0.517 32.532 32.500 -0.809 0.000 1.634 281 K HN 0.523 nan 8.250 nan 0.000 0.335 282 L N 2.024 123.137 121.223 -0.182 0.000 1.989 282 L HA -0.103 4.238 4.340 0.001 0.000 0.211 282 L C 0.504 177.307 176.870 -0.113 0.000 1.071 282 L CA 1.742 56.502 54.840 -0.133 0.000 0.749 282 L CB 0.255 42.220 42.059 -0.157 0.000 0.890 282 L HN 0.425 nan 8.230 nan 0.000 0.431 283 I N 0.412 120.903 120.570 -0.131 0.000 2.420 283 I HA 0.207 4.378 4.170 0.001 0.000 0.282 283 I C -0.746 175.317 176.117 -0.091 0.000 1.019 283 I CA -0.253 60.931 61.300 -0.194 0.000 1.130 283 I CB 0.807 38.515 38.000 -0.486 0.000 1.262 283 I HN 0.082 nan 8.210 nan 0.000 0.454 284 D N 5.529 125.885 120.400 -0.072 0.000 3.035 284 D HA 0.242 4.883 4.640 0.001 0.000 0.290 284 D C -0.323 175.874 176.300 -0.171 0.000 1.360 284 D CA -0.081 53.895 54.000 -0.040 0.000 0.862 284 D CB 0.260 41.053 40.800 -0.012 0.000 1.078 284 D HN 0.699 nan 8.370 nan 0.000 0.487 285 N N -2.146 116.378 118.700 -0.295 0.000 3.020 285 N HA 0.291 5.031 4.740 0.001 0.000 0.248 285 N C -1.188 174.065 175.510 -0.429 0.000 1.480 285 N CA -0.781 52.068 53.050 -0.334 0.000 0.874 285 N CB 0.272 38.698 38.487 -0.101 0.000 1.433 285 N HN -0.212 nan 8.380 nan 0.000 0.530 286 F N -0.135 119.783 119.950 -0.054 0.000 2.925 286 F HA 0.421 4.948 4.527 0.001 0.000 0.302 286 F C 0.968 176.762 175.800 -0.011 0.000 1.189 286 F CA -0.481 57.479 58.000 -0.067 0.000 1.346 286 F CB 0.114 39.056 39.000 -0.096 0.000 0.954 286 F HN 0.594 nan 8.300 nan 0.000 0.506 287 E N 0.010 120.299 120.200 0.148 0.000 2.385 287 E HA 0.248 4.598 4.350 0.001 0.000 0.194 287 E C 1.236 177.875 176.600 0.066 0.000 1.013 287 E CA 0.208 56.670 56.400 0.104 0.000 0.866 287 E CB 0.477 30.224 29.700 0.079 0.000 0.832 287 E HN 0.424 nan 8.360 nan 0.000 0.500 288 G N 0.717 109.578 108.800 0.102 0.000 2.623 288 G HA2 0.188 4.148 3.960 0.001 0.000 0.290 288 G HA3 0.188 4.148 3.960 0.001 0.000 0.290 288 G C -1.757 173.040 174.900 -0.172 0.000 1.437 288 G CA -0.717 44.332 45.100 -0.085 0.000 0.798 288 G HN -0.016 nan 8.290 nan 0.000 0.488 289 E N -0.513 119.480 120.200 -0.345 0.000 2.266 289 E HA 0.517 4.867 4.350 0.001 0.000 0.277 289 E C -1.438 174.780 176.600 -0.638 0.000 1.018 289 E CA -0.590 55.663 56.400 -0.244 0.000 0.840 289 E CB 1.064 30.750 29.700 -0.024 0.000 1.082 289 E HN 0.384 nan 8.360 nan 0.000 0.395 290 Y N 2.497 122.778 120.300 -0.031 0.000 2.445 290 Y HA 0.175 4.725 4.550 0.001 0.000 0.332 290 Y C -0.855 175.112 175.900 0.112 0.000 1.037 290 Y CA -1.074 56.956 58.100 -0.117 0.000 1.296 290 Y CB 1.345 39.508 38.460 -0.495 0.000 1.099 290 Y HN 0.490 nan 8.280 nan 0.000 0.496 291 D N 2.203 122.815 120.400 0.352 0.000 2.373 291 D HA 0.110 4.750 4.640 0.001 0.000 0.227 291 D C -0.773 175.842 176.300 0.524 0.000 1.091 291 D CA -0.506 53.715 54.000 0.369 0.000 0.840 291 D CB 0.469 41.390 40.800 0.202 0.000 1.060 291 D HN 0.373 nan 8.370 nan 0.000 0.502 292 Y N 3.964 124.523 120.300 0.432 0.000 2.717 292 Y HA 0.128 4.678 4.550 0.001 0.000 0.330 292 Y C 0.288 176.217 175.900 0.049 0.000 1.217 292 Y CA 0.305 58.513 58.100 0.180 0.000 1.506 292 Y CB 0.740 39.327 38.460 0.212 0.000 1.268 292 Y HN 0.318 nan 8.280 nan 0.000 0.561 293 V N 3.809 123.301 119.914 -0.703 0.000 2.806 293 V HA 0.188 4.308 4.120 0.001 0.000 0.239 293 V C 0.549 176.059 176.094 -0.974 0.000 1.113 293 V CA 1.214 63.147 62.300 -0.611 0.000 1.137 293 V CB 0.396 32.029 31.823 -0.316 0.000 0.865 293 V HN 0.872 nan 8.190 nan 0.000 0.482 294 T N 0.222 114.064 114.554 -1.187 0.000 2.652 294 T HA 0.324 4.675 4.350 0.001 0.000 0.303 294 T C -2.369 171.958 174.700 -0.621 0.000 1.738 294 T CA -0.404 61.197 62.100 -0.832 0.000 0.969 294 T CB 1.522 70.166 68.868 -0.373 0.000 1.778 294 T HN 0.523 nan 8.240 nan 0.000 0.494 295 N N 1.146 119.560 118.700 -0.477 0.000 2.396 295 N HA 0.422 5.163 4.740 0.001 0.000 0.275 295 N C -1.858 173.389 175.510 -0.438 0.000 1.218 295 N CA -0.723 51.881 53.050 -0.744 0.000 0.812 295 N CB 2.217 39.630 38.487 -1.791 0.000 1.592 295 N HN 0.518 nan 8.380 nan 0.000 0.480 296 E N 0.676 120.653 120.200 -0.371 0.000 2.267 296 E HA 0.410 4.761 4.350 0.001 0.000 0.248 296 E C 0.722 177.219 176.600 -0.172 0.000 0.899 296 E CA -0.147 56.134 56.400 -0.198 0.000 0.764 296 E CB 1.101 30.720 29.700 -0.135 0.000 1.227 296 E HN 0.985 nan 8.360 nan 0.000 0.421 297 G N 3.164 111.895 108.800 -0.114 0.000 2.556 297 G HA2 -0.405 3.556 3.960 0.001 0.000 0.283 297 G HA3 -0.405 3.556 3.960 0.001 0.000 0.283 297 G C 0.909 175.781 174.900 -0.047 0.000 1.177 297 G CA 0.663 45.748 45.100 -0.025 0.000 0.978 297 G HN 0.544 nan 8.290 nan 0.000 0.554 298 T N -1.432 113.124 114.554 0.003 0.000 3.129 298 T HA 0.450 4.800 4.350 0.001 0.000 0.251 298 T C 0.799 175.438 174.700 -0.101 0.000 1.117 298 T CA 0.953 63.045 62.100 -0.013 0.000 1.034 298 T CB 0.224 69.151 68.868 0.098 0.000 0.968 298 T HN 1.032 nan 8.240 nan 0.000 0.526 299 V N 2.731 122.565 119.914 -0.134 0.000 2.368 299 V HA 0.426 4.547 4.120 0.001 0.000 0.266 299 V C -0.649 175.289 176.094 -0.261 0.000 1.045 299 V CA -0.891 61.344 62.300 -0.108 0.000 0.899 299 V CB -0.460 31.322 31.823 -0.069 0.000 1.006 299 V HN 0.313 nan 8.190 nan 0.000 0.470 300 F N 2.409 122.100 119.950 -0.432 0.000 2.420 300 F HA 0.488 5.015 4.527 0.001 0.000 0.342 300 F C 0.907 176.442 175.800 -0.442 0.000 1.113 300 F CA -0.408 57.290 58.000 -0.502 0.000 1.059 300 F CB 1.802 40.397 39.000 -0.676 0.000 1.128 300 F HN 0.319 nan 8.300 nan 0.000 0.475 301 T N 4.721 119.033 114.554 -0.404 0.000 2.767 301 T HA 0.566 4.917 4.350 0.001 0.000 0.288 301 T C -0.888 173.546 174.700 -0.444 0.000 0.963 301 T CA -0.209 61.712 62.100 -0.297 0.000 1.019 301 T CB 0.178 68.898 68.868 -0.247 0.000 0.923 301 T HN 0.168 nan 8.240 nan 0.000 0.468 302 F N 1.570 121.538 119.950 0.029 0.000 2.576 302 F HA 0.508 5.036 4.527 0.001 0.000 0.313 302 F C 0.287 176.104 175.800 0.030 0.000 1.078 302 F CA -1.264 56.778 58.000 0.070 0.000 0.921 302 F CB 1.956 41.041 39.000 0.141 0.000 1.232 302 F HN 0.290 nan 8.300 nan 0.000 0.459 303 K N 1.421 121.971 120.400 0.250 0.000 2.201 303 K HA 0.600 4.921 4.320 0.001 0.000 0.278 303 K C -0.798 175.888 176.600 0.144 0.000 1.027 303 K CA -0.029 56.347 56.287 0.147 0.000 0.909 303 K CB 1.376 33.929 32.500 0.088 0.000 1.062 303 K HN 0.774 nan 8.250 nan 0.000 0.465 304 T N 1.635 116.243 114.554 0.091 0.000 2.864 304 T HA 0.282 4.633 4.350 0.001 0.000 0.299 304 T C -0.531 174.085 174.700 -0.140 0.000 1.166 304 T CA -0.793 61.240 62.100 -0.112 0.000 1.007 304 T CB 0.869 69.578 68.868 -0.265 0.000 1.219 304 T HN 0.803 nan 8.240 nan 0.000 0.506 305 N N 0.822 119.302 118.700 -0.367 0.000 2.177 305 N HA 0.166 4.906 4.740 0.001 0.000 0.218 305 N C 0.103 175.414 175.510 -0.332 0.000 1.182 305 N CA -0.518 52.197 53.050 -0.559 0.000 0.882 305 N CB -0.022 37.900 38.487 -0.940 0.000 1.052 305 N HN 0.320 nan 8.380 nan 0.000 0.519 306 R N 1.690 122.011 120.500 -0.299 0.000 2.446 306 R HA 0.013 4.353 4.340 0.001 0.000 0.325 306 R C -0.213 175.959 176.300 -0.214 0.000 0.997 306 R CA 0.442 56.366 56.100 -0.292 0.000 1.010 306 R CB -1.026 29.174 30.300 -0.168 0.000 0.946 306 R HN 0.279 nan 8.270 nan 0.000 0.422 307 H N 0.754 119.821 119.070 -0.004 0.000 3.047 307 H HA -0.181 4.375 4.556 0.001 0.000 0.263 307 H C -0.887 174.433 175.328 -0.014 0.000 1.168 307 H CA 1.334 57.384 56.048 0.003 0.000 1.152 307 H CB -2.003 27.779 29.762 0.033 0.000 1.278 307 H HN 0.601 nan 8.280 nan 0.000 0.339 308 S N -2.203 113.500 115.700 0.004 0.000 2.356 308 S HA 0.425 4.896 4.470 0.001 0.000 0.171 308 S C -2.198 172.310 174.600 -0.154 0.000 1.399 308 S CA -1.055 57.126 58.200 -0.031 0.000 1.225 308 S CB 2.813 66.009 63.200 -0.007 0.000 1.271 308 S HN -0.201 nan 8.310 nan 0.000 0.427 309 P HA -0.045 nan 4.420 nan 0.000 0.221 309 P C 0.627 177.889 177.300 -0.063 0.000 1.145 309 P CA 1.037 64.075 63.100 -0.104 0.000 0.795 309 P CB 0.023 31.727 31.700 0.007 0.000 0.775 310 N N -2.537 116.189 118.700 0.043 0.000 2.230 310 N HA 0.078 4.818 4.740 0.001 0.000 0.202 310 N C -0.474 175.249 175.510 0.355 0.000 1.119 310 N CA -0.019 53.166 53.050 0.227 0.000 0.851 310 N CB -0.240 38.382 38.487 0.225 0.000 0.990 310 N HN 0.108 nan 8.380 nan 0.000 0.497 311 Y N -0.021 120.309 120.300 0.050 0.000 2.515 311 Y HA -0.335 4.215 4.550 0.001 0.000 0.021 311 Y C 0.625 176.547 175.900 0.036 0.000 1.710 311 Y CA -0.039 58.071 58.100 0.017 0.000 1.413 311 Y CB -0.468 37.976 38.460 -0.026 0.000 2.059 311 Y HN 0.238 nan 8.280 nan 0.000 0.255 312 R N 0.643 121.241 120.500 0.162 0.000 2.766 312 R HA 0.907 5.247 4.340 0.001 0.000 0.270 312 R C -2.198 174.157 176.300 0.091 0.000 1.035 312 R CA -1.333 54.838 56.100 0.117 0.000 0.911 312 R CB 1.573 31.941 30.300 0.113 0.000 1.243 312 R HN 0.526 nan 8.270 nan 0.000 0.460 313 L N 2.396 123.661 121.223 0.070 0.000 2.322 313 L HA 0.626 4.967 4.340 0.001 0.000 0.281 313 L C -0.157 176.770 176.870 0.094 0.000 1.014 313 L CA -0.977 53.899 54.840 0.060 0.000 0.815 313 L CB 1.690 43.749 42.059 0.001 0.000 1.247 313 L HN 0.588 nan 8.230 nan 0.000 0.421 314 I N 0.063 120.706 120.570 0.121 0.000 2.892 314 I HA 0.531 4.701 4.170 0.001 0.000 0.306 314 I C -1.074 175.114 176.117 0.118 0.000 1.078 314 I CA -0.769 60.617 61.300 0.144 0.000 1.032 314 I CB 2.397 40.507 38.000 0.183 0.000 1.229 314 I HN 0.513 nan 8.210 nan 0.000 0.435 315 N N 4.367 123.133 118.700 0.110 0.000 2.417 315 N HA 0.600 5.341 4.740 0.001 0.000 0.274 315 N C -1.280 174.279 175.510 0.081 0.000 0.987 315 N CA -0.626 52.470 53.050 0.076 0.000 0.912 315 N CB 2.286 40.809 38.487 0.060 0.000 1.177 315 N HN 0.459 nan 8.380 nan 0.000 0.490 316 I N 1.243 121.855 120.570 0.070 0.000 2.362 316 I HA 0.161 4.332 4.170 0.001 0.000 0.289 316 I C -0.561 175.661 176.117 0.175 0.000 0.994 316 I CA -0.674 60.644 61.300 0.030 0.000 1.158 316 I CB 1.481 39.409 38.000 -0.120 0.000 1.315 316 I HN 0.404 nan 8.210 nan 0.000 0.451 317 D N 6.091 126.621 120.400 0.217 0.000 2.313 317 D HA 0.148 4.788 4.640 0.001 0.000 0.239 317 D C 0.843 177.335 176.300 0.320 0.000 1.142 317 D CA -0.270 53.845 54.000 0.191 0.000 0.847 317 D CB 0.869 41.768 40.800 0.165 0.000 1.082 317 D HN 0.234 nan 8.370 nan 0.000 0.480 318 F N 1.575 121.544 119.950 0.033 0.000 2.307 318 F HA -0.152 4.375 4.527 0.001 0.000 0.301 318 F C 2.542 178.392 175.800 0.083 0.000 1.076 318 F CA 1.261 59.246 58.000 -0.025 0.000 1.383 318 F CB -1.291 37.548 39.000 -0.267 0.000 1.055 318 F HN 0.442 nan 8.300 nan 0.000 0.526 319 T N -3.876 110.847 114.554 0.281 0.000 3.100 319 T HA 0.013 4.363 4.350 0.001 0.000 0.253 319 T C 0.378 175.180 174.700 0.170 0.000 1.118 319 T CA 0.611 62.833 62.100 0.203 0.000 1.058 319 T CB -0.007 68.960 68.868 0.164 0.000 0.953 319 T HN 0.037 nan 8.240 nan 0.000 0.515 320 D N 1.338 121.855 120.400 0.195 0.000 2.978 320 D HA 0.253 4.893 4.640 0.001 0.000 0.268 320 D C -1.947 174.497 176.300 0.240 0.000 1.252 320 D CA -1.647 52.458 54.000 0.175 0.000 0.771 320 D CB 1.248 42.140 40.800 0.153 0.000 1.361 320 D HN 0.029 nan 8.370 nan 0.000 0.558 321 P HA -0.055 nan 4.420 nan 0.000 0.226 321 P C 0.065 177.593 177.300 0.380 0.000 1.153 321 P CA 0.341 63.641 63.100 0.332 0.000 0.777 321 P CB 0.460 32.291 31.700 0.219 0.000 0.794 322 E N 0.954 121.256 120.200 0.171 0.000 2.413 322 E HA -0.073 4.278 4.350 0.001 0.000 0.263 322 E C 1.263 177.676 176.600 -0.311 0.000 1.015 322 E CA 0.127 56.520 56.400 -0.011 0.000 0.916 322 E CB 0.474 30.151 29.700 -0.039 0.000 0.947 322 E HN 0.315 nan 8.360 nan 0.000 0.440 323 E N 1.953 121.715 120.200 -0.730 0.000 2.130 323 E HA -0.240 4.110 4.350 0.001 0.000 0.196 323 E C 1.392 177.500 176.600 -0.821 0.000 0.998 323 E CA 1.632 57.074 56.400 -1.596 0.000 0.806 323 E CB 0.118 29.092 29.700 -1.210 0.000 0.738 323 E HN 0.505 nan 8.360 nan 0.000 0.459 324 S N -0.132 115.336 115.700 -0.387 0.000 2.469 324 S HA -0.089 4.381 4.470 0.001 0.000 0.238 324 S C 1.484 176.037 174.600 -0.079 0.000 0.998 324 S CA 0.737 58.830 58.200 -0.179 0.000 0.957 324 S CB -0.004 63.131 63.200 -0.109 0.000 0.764 324 S HN 0.136 nan 8.310 nan 0.000 0.514 325 K N -0.217 120.148 120.400 -0.058 0.000 2.361 325 K HA 0.180 4.500 4.320 0.001 0.000 0.194 325 K C -0.114 176.652 176.600 0.277 0.000 1.032 325 K CA -0.220 56.131 56.287 0.106 0.000 1.048 325 K CB -0.107 32.476 32.500 0.139 0.000 0.842 325 K HN 0.438 nan 8.250 nan 0.000 0.526 326 W N 2.756 124.119 121.300 0.105 0.000 2.170 326 W HA 0.099 4.760 4.660 0.001 0.000 0.342 326 W C 0.702 177.288 176.519 0.111 0.000 1.294 326 W CA -0.624 56.797 57.345 0.127 0.000 1.246 326 W CB 0.088 29.641 29.460 0.155 0.000 1.156 326 W HN -0.289 nan 8.180 nan 0.000 0.572 327 K N 1.720 122.320 120.400 0.333 0.000 2.182 327 K HA 0.431 4.751 4.320 0.001 0.000 0.262 327 K C -0.829 175.891 176.600 0.199 0.000 0.957 327 K CA -1.104 55.312 56.287 0.215 0.000 0.842 327 K CB 2.194 34.786 32.500 0.153 0.000 1.099 327 K HN 0.096 nan 8.250 nan 0.000 0.438 328 V N 4.832 124.847 119.914 0.168 0.000 2.408 328 V HA 0.029 4.150 4.120 0.001 0.000 0.267 328 V C 1.309 177.469 176.094 0.110 0.000 1.047 328 V CA -0.199 62.189 62.300 0.148 0.000 0.937 328 V CB 0.917 32.822 31.823 0.136 0.000 0.999 328 V HN 0.644 nan 8.190 nan 0.000 0.472 329 L N 6.473 127.753 121.223 0.096 0.000 2.145 329 L HA 0.278 4.618 4.340 0.001 0.000 0.201 329 L C 0.676 177.589 176.870 0.071 0.000 1.075 329 L CA 1.734 56.618 54.840 0.072 0.000 0.773 329 L CB 0.520 42.608 42.059 0.048 0.000 0.936 329 L HN 0.442 nan 8.230 nan 0.000 0.451 330 V N 1.407 121.361 119.914 0.066 0.000 2.419 330 V HA 0.391 4.511 4.120 0.001 0.000 0.287 330 V C -2.307 173.843 176.094 0.094 0.000 1.017 330 V CA -1.538 60.805 62.300 0.070 0.000 0.844 330 V CB 1.114 32.942 31.823 0.008 0.000 1.011 330 V HN 0.096 nan 8.190 nan 0.000 0.429 331 P HA 0.084 nan 4.420 nan 0.000 0.270 331 P C -0.048 177.331 177.300 0.132 0.000 1.223 331 P CA -0.164 62.999 63.100 0.105 0.000 0.785 331 P CB 0.660 32.409 31.700 0.082 0.000 0.923 332 E N 1.306 121.580 120.200 0.123 0.000 2.392 332 E HA -0.047 4.303 4.350 0.001 0.000 0.264 332 E C -0.289 176.401 176.600 0.150 0.000 1.024 332 E CA -0.159 56.331 56.400 0.151 0.000 0.903 332 E CB 0.302 30.068 29.700 0.110 0.000 0.963 332 E HN 0.464 nan 8.360 nan 0.000 0.432 333 H N 3.332 122.474 119.070 0.120 0.000 2.511 333 H HA 0.008 4.564 4.556 0.001 0.000 0.346 333 H C 0.664 176.030 175.328 0.064 0.000 1.128 333 H CA 0.161 56.248 56.048 0.066 0.000 1.342 333 H CB 1.569 31.350 29.762 0.032 0.000 1.470 333 H HN 0.828 nan 8.280 nan 0.000 0.546 334 E N 2.964 122.969 120.200 -0.325 0.000 2.204 334 E HA -0.167 4.183 4.350 0.001 0.000 0.195 334 E C 1.122 177.757 176.600 0.058 0.000 0.990 334 E CA 1.270 57.596 56.400 -0.123 0.000 0.821 334 E CB 0.379 29.957 29.700 -0.202 0.000 0.750 334 E HN 0.600 nan 8.360 nan 0.000 0.477 335 K N -0.662 119.902 120.400 0.273 0.000 2.556 335 K HA 0.045 4.365 4.320 0.001 0.000 0.201 335 K C -0.554 176.227 176.600 0.302 0.000 1.423 335 K CA -0.087 56.362 56.287 0.270 0.000 1.010 335 K CB 0.706 33.319 32.500 0.188 0.000 1.409 335 K HN -0.064 nan 8.250 nan 0.000 0.538 336 D N 1.860 122.471 120.400 0.352 0.000 2.390 336 D HA 0.071 4.711 4.640 0.001 0.000 0.249 336 D C -0.568 175.881 176.300 0.247 0.000 1.144 336 D CA 0.062 54.132 54.000 0.116 0.000 0.880 336 D CB 1.635 42.268 40.800 -0.278 0.000 1.182 336 D HN -0.151 nan 8.370 nan 0.000 0.451 337 V N 3.129 123.156 119.914 0.188 0.000 2.498 337 V HA 0.067 4.188 4.120 0.001 0.000 0.279 337 V C 0.266 176.406 176.094 0.078 0.000 1.048 337 V CA -0.820 61.582 62.300 0.169 0.000 0.967 337 V CB 1.372 33.233 31.823 0.064 0.000 0.988 337 V HN 0.331 nan 8.190 nan 0.000 0.473 338 L N 5.412 126.619 121.223 -0.027 0.000 2.342 338 L HA 0.306 4.646 4.340 0.001 0.000 0.285 338 L C 1.172 177.785 176.870 -0.429 0.000 1.095 338 L CA 0.717 55.275 54.840 -0.470 0.000 0.843 338 L CB 0.166 41.987 42.059 -0.396 0.000 1.201 338 L HN 0.714 nan 8.230 nan 0.000 0.445 339 E N 5.358 125.288 120.200 -0.451 0.000 2.028 339 E HA -0.008 4.343 4.350 0.001 0.000 0.190 339 E C -0.515 175.978 176.600 -0.178 0.000 0.984 339 E CA 1.289 57.501 56.400 -0.312 0.000 0.800 339 E CB 0.171 29.760 29.700 -0.185 0.000 0.758 339 E HN 0.743 nan 8.360 nan 0.000 0.448 340 W N -1.177 119.941 121.300 -0.302 0.000 3.066 340 W HA 0.580 5.240 4.660 0.001 0.000 0.330 340 W C -1.642 174.708 176.519 -0.282 0.000 1.253 340 W CA -0.816 56.376 57.345 -0.256 0.000 1.187 340 W CB 0.686 30.027 29.460 -0.198 0.000 1.434 340 W HN -0.373 nan 8.180 nan 0.000 0.572 341 V N 1.199 121.195 119.914 0.137 0.000 2.888 341 V HA 0.834 4.954 4.120 0.001 0.000 0.309 341 V C -0.381 175.784 176.094 0.117 0.000 1.114 341 V CA -0.714 61.572 62.300 -0.024 0.000 0.940 341 V CB 1.178 32.925 31.823 -0.127 0.000 1.021 341 V HN 0.929 nan 8.190 nan 0.000 0.426 342 A N 1.941 124.801 122.820 0.067 0.000 2.454 342 A HA 0.824 5.144 4.320 0.001 0.000 0.302 342 A C -0.883 176.750 177.584 0.082 0.000 1.079 342 A CA -0.501 51.584 52.037 0.080 0.000 0.731 342 A CB 1.842 20.876 19.000 0.056 0.000 1.299 342 A HN 1.099 nan 8.150 nan 0.000 0.413 343 C N 1.673 121.025 119.300 0.086 0.000 2.329 343 C HA 0.834 5.294 4.460 0.001 0.000 0.329 343 C C -0.342 174.747 174.990 0.164 0.000 1.275 343 C CA -0.121 58.949 59.018 0.086 0.000 1.726 343 C CB 0.047 27.780 27.740 -0.011 0.000 2.291 343 C HN 1.124 nan 8.230 nan 0.000 0.514 344 V N 6.682 126.721 119.914 0.208 0.000 3.049 344 V HA 0.674 4.794 4.120 0.001 0.000 0.309 344 V C 0.325 176.525 176.094 0.177 0.000 1.148 344 V CA -0.573 61.862 62.300 0.226 0.000 0.990 344 V CB 1.776 33.790 31.823 0.319 0.000 1.039 344 V HN 1.046 nan 8.190 nan 0.000 0.430 345 R N 3.351 123.916 120.500 0.108 0.000 3.333 345 R HA -0.217 4.124 4.340 0.001 0.000 0.256 345 R C 0.961 177.184 176.300 -0.130 0.000 1.010 345 R CA 0.886 56.982 56.100 -0.007 0.000 0.680 345 R CB -1.452 28.846 30.300 -0.003 0.000 1.102 345 R HN 1.387 nan 8.270 nan 0.000 0.440 346 S N -2.167 113.498 115.700 -0.058 0.000 1.706 346 S HA -0.352 4.118 4.470 0.001 0.000 0.229 346 S C 0.609 175.153 174.600 -0.094 0.000 0.861 346 S CA 2.138 60.293 58.200 -0.076 0.000 1.488 346 S CB -0.995 62.146 63.200 -0.099 0.000 1.943 346 S HN 0.923 nan 8.310 nan 0.000 0.533 347 N N -0.092 118.498 118.700 -0.183 0.000 2.299 347 N HA 0.441 5.182 4.740 0.001 0.000 0.246 347 N C -0.767 174.742 175.510 -0.001 0.000 1.254 347 N CA -0.406 52.569 53.050 -0.125 0.000 0.879 347 N CB 0.414 38.812 38.487 -0.148 0.000 1.214 347 N HN 0.283 nan 8.380 nan 0.000 0.510 348 F N 1.170 121.141 119.950 0.035 0.000 2.507 348 F HA 0.586 5.114 4.527 0.001 0.000 0.327 348 F C -0.027 175.808 175.800 0.058 0.000 1.068 348 F CA -1.415 56.619 58.000 0.056 0.000 0.965 348 F CB 1.508 40.558 39.000 0.083 0.000 1.192 348 F HN -0.092 nan 8.300 nan 0.000 0.476 349 L N 2.588 123.976 121.223 0.275 0.000 2.365 349 L HA 0.625 4.966 4.340 0.001 0.000 0.273 349 L C -1.049 175.888 176.870 0.111 0.000 1.000 349 L CA -0.997 53.924 54.840 0.135 0.000 0.819 349 L CB 2.169 44.261 42.059 0.055 0.000 1.284 349 L HN 0.177 nan 8.230 nan 0.000 0.418 350 V N 4.715 124.661 119.914 0.054 0.000 2.347 350 V HA 0.415 4.536 4.120 0.001 0.000 0.280 350 V C 0.020 175.970 176.094 -0.239 0.000 1.021 350 V CA -0.386 61.905 62.300 -0.014 0.000 0.847 350 V CB 1.627 33.458 31.823 0.014 0.000 0.990 350 V HN 0.466 nan 8.190 nan 0.000 0.444 351 L N 4.584 125.637 121.223 -0.284 0.000 2.322 351 L HA 0.563 4.903 4.340 0.001 0.000 0.281 351 L C -0.365 176.097 176.870 -0.679 0.000 1.014 351 L CA -0.288 54.237 54.840 -0.526 0.000 0.815 351 L CB 1.766 43.554 42.059 -0.450 0.000 1.247 351 L HN 0.654 nan 8.230 nan 0.000 0.421 352 C N 3.616 122.252 119.300 -1.107 0.000 2.319 352 C HA 0.612 5.072 4.460 0.001 0.000 0.323 352 C C -0.383 174.146 174.990 -0.769 0.000 1.277 352 C CA -0.377 58.024 59.018 -1.029 0.000 1.517 352 C CB 0.031 26.644 27.740 -1.878 0.000 2.206 352 C HN 0.652 nan 8.230 nan 0.000 0.486 353 Y N 3.711 123.804 120.300 -0.345 0.000 2.528 353 Y HA 0.671 5.221 4.550 0.001 0.000 0.335 353 Y C -0.086 175.730 175.900 -0.140 0.000 1.093 353 Y CA -0.837 57.129 58.100 -0.223 0.000 1.134 353 Y CB 1.496 39.847 38.460 -0.183 0.000 1.253 353 Y HN 0.535 nan 8.280 nan 0.000 0.478 354 L N 2.830 124.102 121.223 0.081 0.000 2.294 354 L HA 0.351 4.691 4.340 0.001 0.000 0.283 354 L C -1.275 175.630 176.870 0.058 0.000 1.015 354 L CA -0.380 54.482 54.840 0.036 0.000 0.831 354 L CB 0.222 42.254 42.059 -0.044 0.000 1.217 354 L HN 0.667 nan 8.230 nan 0.000 0.420 355 H N 4.330 123.395 119.070 -0.008 0.000 2.638 355 H HA 0.340 4.896 4.556 0.001 0.000 0.303 355 H C -0.518 174.834 175.328 0.039 0.000 1.034 355 H CA -0.320 55.724 56.048 -0.008 0.000 1.225 355 H CB 0.438 30.184 29.762 -0.026 0.000 1.394 355 H HN 0.678 nan 8.280 nan 0.000 0.477 356 D N 4.467 124.697 120.400 -0.284 0.000 2.689 356 D HA -0.184 4.456 4.640 0.001 0.000 0.237 356 D C 0.333 176.623 176.300 -0.018 0.000 1.148 356 D CA 1.231 55.164 54.000 -0.111 0.000 0.656 356 D CB -1.247 39.515 40.800 -0.063 0.000 1.050 356 D HN 0.608 nan 8.370 nan 0.000 0.426 357 V N -2.780 117.077 119.914 -0.096 0.000 4.032 357 V HA -0.362 3.758 4.120 0.001 0.000 0.231 357 V C 0.638 176.875 176.094 0.238 0.000 0.429 357 V CA 1.913 64.242 62.300 0.047 0.000 0.934 357 V CB -1.859 29.995 31.823 0.051 0.000 1.004 357 V HN 0.506 nan 8.190 nan 0.000 1.283 358 K N 0.219 120.735 120.400 0.193 0.000 2.371 358 K HA 0.596 4.916 4.320 0.001 0.000 0.251 358 K C -0.203 176.496 176.600 0.164 0.000 0.934 358 K CA -0.721 55.692 56.287 0.209 0.000 0.798 358 K CB 2.066 34.728 32.500 0.270 0.000 1.204 358 K HN 0.362 nan 8.250 nan 0.000 0.427 359 N N 0.643 119.433 118.700 0.150 0.000 2.530 359 N HA 0.256 4.996 4.740 0.001 0.000 0.277 359 N C -0.847 174.735 175.510 0.119 0.000 1.168 359 N CA -0.108 53.016 53.050 0.124 0.000 0.979 359 N CB 1.055 39.623 38.487 0.135 0.000 1.141 359 N HN 0.561 nan 8.380 nan 0.000 0.459 360 T N -0.642 113.949 114.554 0.062 0.000 2.900 360 T HA 0.507 4.857 4.350 0.001 0.000 0.295 360 T C -1.146 173.544 174.700 -0.016 0.000 1.044 360 T CA -0.883 61.233 62.100 0.027 0.000 0.995 360 T CB 1.309 70.174 68.868 -0.005 0.000 1.072 360 T HN 0.151 nan 8.240 nan 0.000 0.473 361 L N 2.883 124.091 121.223 -0.025 0.000 2.408 361 L HA 0.627 4.967 4.340 0.001 0.000 0.268 361 L C -0.965 175.954 176.870 0.081 0.000 0.986 361 L CA -0.459 54.345 54.840 -0.060 0.000 0.820 361 L CB 1.767 43.718 42.059 -0.179 0.000 1.303 361 L HN 1.153 nan 8.230 nan 0.000 0.411 362 Q N 3.325 123.181 119.800 0.092 0.000 2.462 362 Q HA 0.558 4.898 4.340 0.001 0.000 0.285 362 Q C -1.965 174.112 176.000 0.128 0.000 1.035 362 Q CA -1.009 54.830 55.803 0.059 0.000 0.799 362 Q CB 3.091 31.863 28.738 0.056 0.000 1.452 362 Q HN 0.448 nan 8.270 nan 0.000 0.404 363 L N 1.560 122.731 121.223 -0.086 0.000 2.307 363 L HA 0.517 4.858 4.340 0.001 0.000 0.284 363 L C -1.104 175.690 176.870 -0.127 0.000 1.023 363 L CA -0.090 54.707 54.840 -0.072 0.000 0.810 363 L CB 1.280 43.132 42.059 -0.344 0.000 1.231 363 L HN 0.690 nan 8.230 nan 0.000 0.423 364 H N 1.566 120.581 119.070 -0.092 0.000 2.797 364 H HA 0.268 4.824 4.556 0.001 0.000 0.372 364 H C -1.355 174.009 175.328 0.059 0.000 1.168 364 H CA -0.924 55.105 56.048 -0.032 0.000 1.163 364 H CB 2.258 32.019 29.762 -0.002 0.000 1.778 364 H HN 0.546 nan 8.280 nan 0.000 0.551 365 D N 1.422 121.934 120.400 0.187 0.000 2.312 365 D HA -0.013 4.628 4.640 0.001 0.000 0.252 365 D C 0.958 177.353 176.300 0.158 0.000 1.150 365 D CA -0.461 53.663 54.000 0.207 0.000 0.870 365 D CB 1.078 41.960 40.800 0.136 0.000 1.153 365 D HN 0.290 nan 8.370 nan 0.000 0.457 366 L N 4.851 126.156 121.223 0.137 0.000 2.083 366 L HA -0.009 4.331 4.340 0.001 0.000 0.209 366 L C 1.916 178.809 176.870 0.037 0.000 1.083 366 L CA 2.292 57.170 54.840 0.064 0.000 0.752 366 L CB -0.780 41.293 42.059 0.024 0.000 0.899 366 L HN 0.594 nan 8.230 nan 0.000 0.433 367 A N -1.432 121.412 122.820 0.039 0.000 1.930 367 A HA -0.148 4.172 4.320 0.001 0.000 0.217 367 A C 2.234 179.840 177.584 0.037 0.000 1.175 367 A CA 2.164 54.217 52.037 0.026 0.000 0.627 367 A CB -0.912 18.100 19.000 0.020 0.000 0.815 367 A HN 0.604 nan 8.150 nan 0.000 0.443 368 T N -6.312 108.274 114.554 0.053 0.000 2.971 368 T HA 0.435 4.785 4.350 0.001 0.000 0.252 368 T C 1.420 176.164 174.700 0.075 0.000 1.022 368 T CA 1.086 63.219 62.100 0.056 0.000 0.980 368 T CB 0.426 69.323 68.868 0.049 0.000 1.044 368 T HN 1.708 nan 8.240 nan 0.000 0.501 369 G N 1.747 110.606 108.800 0.098 0.000 2.179 369 G HA2 -0.045 3.915 3.960 0.001 0.000 0.260 369 G HA3 -0.045 3.915 3.960 0.001 0.000 0.260 369 G C 0.353 175.386 174.900 0.222 0.000 0.977 369 G CA -0.023 45.164 45.100 0.145 0.000 0.641 369 G HN 1.237 nan 8.290 nan 0.000 0.533 370 A N -0.081 122.811 122.820 0.121 0.000 2.462 370 A HA 0.623 4.943 4.320 0.001 0.000 0.243 370 A C 0.588 178.107 177.584 -0.108 0.000 1.076 370 A CA 0.324 52.384 52.037 0.039 0.000 0.773 370 A CB 0.553 19.556 19.000 0.004 0.000 1.010 370 A HN 1.641 nan 8.150 nan 0.000 0.493 371 L N 2.651 123.702 121.223 -0.287 0.000 2.410 371 L HA 0.298 4.639 4.340 0.001 0.000 0.273 371 L C 0.462 177.100 176.870 -0.385 0.000 1.144 371 L CA 0.544 54.991 54.840 -0.654 0.000 0.863 371 L CB 0.194 41.967 42.059 -0.476 0.000 1.140 371 L HN 0.729 nan 8.230 nan 0.000 0.463 372 L N 2.909 123.881 121.223 -0.417 0.000 2.547 372 L HA 0.374 4.714 4.340 0.001 0.000 0.218 372 L C 0.094 176.752 176.870 -0.352 0.000 1.048 372 L CA -0.050 54.605 54.840 -0.308 0.000 0.859 372 L CB 0.031 41.916 42.059 -0.289 0.000 1.128 372 L HN 0.584 nan 8.230 nan 0.000 0.483 373 K N 0.534 120.662 120.400 -0.453 0.000 2.557 373 K HA 0.494 4.814 4.320 0.001 0.000 0.257 373 K C -1.669 174.568 176.600 -0.605 0.000 0.933 373 K CA -0.219 55.745 56.287 -0.539 0.000 0.820 373 K CB 1.657 33.730 32.500 -0.712 0.000 1.330 373 K HN -0.056 nan 8.250 nan 0.000 0.432 374 I N 4.846 125.121 120.570 -0.492 0.000 2.339 374 I HA 0.374 4.545 4.170 0.001 0.000 0.290 374 I C -0.606 175.273 176.117 -0.396 0.000 0.994 374 I CA -0.843 60.235 61.300 -0.371 0.000 1.191 374 I CB 0.735 38.599 38.000 -0.226 0.000 1.343 374 I HN 0.477 nan 8.210 nan 0.000 0.458 375 F N 7.694 127.536 119.950 -0.180 0.000 2.421 375 F HA 0.300 4.827 4.527 0.001 0.000 0.358 375 F C -1.621 174.066 175.800 -0.188 0.000 1.115 375 F CA -2.392 55.492 58.000 -0.192 0.000 1.160 375 F CB 0.248 39.076 39.000 -0.286 0.000 1.123 375 F HN 0.272 nan 8.300 nan 0.000 0.508 376 P HA 0.158 nan 4.420 nan 0.000 0.267 376 P C -0.902 176.315 177.300 -0.139 0.000 1.209 376 P CA 0.287 63.341 63.100 -0.075 0.000 0.763 376 P CB 1.089 32.745 31.700 -0.072 0.000 0.816 377 L N 2.011 123.157 121.223 -0.129 0.000 2.434 377 L HA 0.387 4.727 4.340 0.001 0.000 0.260 377 L C 0.724 177.477 176.870 -0.195 0.000 0.983 377 L CA -1.071 53.632 54.840 -0.227 0.000 0.820 377 L CB 2.349 44.347 42.059 -0.101 0.000 1.361 377 L HN 0.263 nan 8.230 nan 0.000 0.410 378 E N 0.727 120.696 120.200 -0.385 0.000 2.622 378 E HA 0.243 4.593 4.350 0.001 0.000 0.255 378 E C -0.616 176.084 176.600 0.167 0.000 1.313 378 E CA -0.569 55.771 56.400 -0.101 0.000 1.011 378 E CB 1.102 30.756 29.700 -0.077 0.000 1.173 378 E HN 0.158 nan 8.360 nan 0.000 0.601 379 V N 0.816 120.891 119.914 0.268 0.000 2.446 379 V HA 0.433 4.553 4.120 0.001 0.000 0.276 379 V C 0.789 177.110 176.094 0.378 0.000 1.030 379 V CA 1.330 63.812 62.300 0.303 0.000 1.033 379 V CB 0.131 32.097 31.823 0.239 0.000 0.993 379 V HN 0.799 nan 8.190 nan 0.000 0.477 380 G N 4.326 113.308 108.800 0.303 0.000 2.392 380 G HA2 0.435 4.395 3.960 0.001 0.000 0.260 380 G HA3 0.435 4.395 3.960 0.001 0.000 0.260 380 G C -1.042 173.806 174.900 -0.085 0.000 1.226 380 G CA -0.162 44.885 45.100 -0.089 0.000 0.913 380 G HN 0.612 nan 8.290 nan 0.000 0.483 381 S N -1.367 114.122 115.700 -0.351 0.000 2.570 381 S HA 0.686 5.157 4.470 0.001 0.000 0.286 381 S C -0.731 173.861 174.600 -0.014 0.000 1.099 381 S CA -0.541 57.592 58.200 -0.111 0.000 0.913 381 S CB 2.062 65.174 63.200 -0.147 0.000 1.085 381 S HN 0.847 nan 8.310 nan 0.000 0.480 382 V N 2.953 122.976 119.914 0.182 0.000 2.364 382 V HA 0.236 4.356 4.120 0.001 0.000 0.272 382 V C 0.786 177.022 176.094 0.238 0.000 1.036 382 V CA -0.279 62.209 62.300 0.313 0.000 0.880 382 V CB 0.970 33.050 31.823 0.428 0.000 0.991 382 V HN 0.856 nan 8.190 nan 0.000 0.460 383 V N 1.912 121.939 119.914 0.188 0.000 3.528 383 V HA 0.723 4.844 4.120 0.001 0.000 0.294 383 V C 0.610 176.782 176.094 0.130 0.000 1.404 383 V CA 0.488 62.860 62.300 0.119 0.000 1.065 383 V CB 0.239 32.102 31.823 0.066 0.000 0.904 383 V HN 0.806 nan 8.190 nan 0.000 0.435 384 G N -0.525 108.399 108.800 0.206 0.000 2.742 384 G HA2 0.597 4.557 3.960 0.001 0.000 0.296 384 G HA3 0.597 4.557 3.960 0.001 0.000 0.296 384 G C -2.268 172.822 174.900 0.317 0.000 1.436 384 G CA -0.692 44.531 45.100 0.205 0.000 0.928 384 G HN 0.444 nan 8.290 nan 0.000 0.520 385 Y N 1.027 121.385 120.300 0.096 0.000 2.521 385 Y HA 0.689 5.239 4.550 0.001 0.000 0.332 385 Y C -0.796 175.186 175.900 0.137 0.000 1.121 385 Y CA -0.694 57.491 58.100 0.141 0.000 1.037 385 Y CB 2.138 40.564 38.460 -0.058 0.000 1.330 385 Y HN 1.144 nan 8.280 nan 0.000 0.452 386 S N 3.426 118.663 115.700 -0.771 0.000 2.548 386 S HA 0.897 5.368 4.470 0.001 0.000 0.276 386 S C -0.693 173.503 174.600 -0.672 0.000 1.129 386 S CA -0.212 57.705 58.200 -0.473 0.000 0.931 386 S CB 1.511 64.751 63.200 0.066 0.000 1.068 386 S HN 1.970 nan 8.310 nan 0.000 0.480 387 G N 2.464 111.085 108.800 -0.300 0.000 2.046 387 G HA2 0.205 4.165 3.960 0.001 0.000 0.180 387 G HA3 0.205 4.165 3.960 0.001 0.000 0.180 387 G C -1.140 173.878 174.900 0.197 0.000 1.990 387 G CA -0.865 44.226 45.100 -0.015 0.000 0.997 387 G HN 0.760 nan 8.290 nan 0.000 0.592 388 Q N 0.748 120.642 119.800 0.157 0.000 2.249 388 Q HA 0.407 4.748 4.340 0.001 0.000 0.226 388 Q C 1.585 177.669 176.000 0.140 0.000 0.983 388 Q CA -0.655 55.242 55.803 0.157 0.000 0.930 388 Q CB 1.736 30.549 28.738 0.124 0.000 1.193 388 Q HN 0.507 nan 8.270 nan 0.000 0.508 389 K N 1.109 121.581 120.400 0.120 0.000 2.113 389 K HA -0.224 4.096 4.320 0.001 0.000 0.208 389 K C 1.504 178.144 176.600 0.067 0.000 1.047 389 K CA 1.936 58.275 56.287 0.085 0.000 0.928 389 K CB 0.085 32.626 32.500 0.068 0.000 0.716 389 K HN 0.463 nan 8.250 nan 0.000 0.446 390 K N -0.221 120.219 120.400 0.068 0.000 2.418 390 K HA 0.012 4.332 4.320 0.001 0.000 0.195 390 K C -0.211 176.416 176.600 0.045 0.000 1.035 390 K CA 0.332 56.647 56.287 0.047 0.000 1.003 390 K CB 0.166 32.690 32.500 0.041 0.000 0.793 390 K HN -0.026 nan 8.250 nan 0.000 0.494 391 D N 2.257 122.697 120.400 0.066 0.000 2.362 391 D HA -0.016 4.624 4.640 0.001 0.000 0.242 391 D C 0.569 176.919 176.300 0.083 0.000 1.132 391 D CA 0.446 54.490 54.000 0.074 0.000 0.907 391 D CB 1.730 42.589 40.800 0.099 0.000 1.195 391 D HN 0.308 nan 8.370 nan 0.000 0.429 392 T N -2.236 112.369 114.554 0.084 0.000 3.182 392 T HA 0.234 4.584 4.350 0.001 0.000 0.277 392 T C 0.156 174.909 174.700 0.089 0.000 1.013 392 T CA -0.519 61.632 62.100 0.085 0.000 0.900 392 T CB -0.028 68.879 68.868 0.064 0.000 1.098 392 T HN 0.581 nan 8.240 nan 0.000 0.543 393 E N 0.963 121.213 120.200 0.082 0.000 2.407 393 E HA 0.607 4.958 4.350 0.001 0.000 0.279 393 E C -1.252 175.331 176.600 -0.029 0.000 1.012 393 E CA -1.395 54.992 56.400 -0.020 0.000 0.800 393 E CB 1.669 31.364 29.700 -0.008 0.000 1.276 393 E HN 0.414 nan 8.360 nan 0.000 0.452 394 I N -1.683 118.782 120.570 -0.174 0.000 2.892 394 I HA 0.738 4.908 4.170 0.001 0.000 0.306 394 I C -1.419 174.531 176.117 -0.278 0.000 1.078 394 I CA -1.234 60.005 61.300 -0.102 0.000 1.032 394 I CB 1.638 39.676 38.000 0.063 0.000 1.229 394 I HN 0.457 nan 8.210 nan 0.000 0.435 395 F N 3.152 123.073 119.950 -0.047 0.000 2.565 395 F HA 0.684 5.211 4.527 0.001 0.000 0.313 395 F C -0.884 174.982 175.800 0.110 0.000 1.091 395 F CA -0.511 57.465 58.000 -0.041 0.000 0.915 395 F CB 2.232 41.189 39.000 -0.072 0.000 1.208 395 F HN 0.532 nan 8.300 nan 0.000 0.453 396 Y N -0.074 120.402 120.300 0.292 0.000 2.544 396 Y HA 0.612 5.162 4.550 0.001 0.000 0.342 396 Y C -1.343 174.782 175.900 0.375 0.000 1.062 396 Y CA -1.362 56.937 58.100 0.331 0.000 1.023 396 Y CB 1.290 39.951 38.460 0.335 0.000 1.308 396 Y HN 0.626 nan 8.280 nan 0.000 0.457 397 Q N 3.081 123.161 119.800 0.466 0.000 2.312 397 Q HA 0.583 4.924 4.340 0.001 0.000 0.263 397 Q C -2.134 174.137 176.000 0.452 0.000 0.995 397 Q CA -0.883 55.141 55.803 0.368 0.000 0.853 397 Q CB 1.931 30.831 28.738 0.269 0.000 1.300 397 Q HN 0.782 nan 8.270 nan 0.000 0.448 398 F N 2.015 122.127 119.950 0.270 0.000 2.508 398 F HA 0.696 5.223 4.527 0.001 0.000 0.325 398 F C -0.879 175.000 175.800 0.132 0.000 1.090 398 F CA -0.229 57.921 58.000 0.249 0.000 0.945 398 F CB 2.322 41.539 39.000 0.362 0.000 1.156 398 F HN 0.525 nan 8.300 nan 0.000 0.463 399 T N 2.635 116.694 114.554 -0.825 0.000 2.841 399 T HA 0.782 5.132 4.350 0.001 0.000 0.296 399 T C -1.280 172.860 174.700 -0.933 0.000 1.166 399 T CA -0.035 61.696 62.100 -0.614 0.000 1.007 399 T CB 1.314 70.041 68.868 -0.234 0.000 1.253 399 T HN 1.045 nan 8.240 nan 0.000 0.511 400 S N 0.380 115.800 115.700 -0.467 0.000 2.672 400 S HA 0.544 5.014 4.470 0.001 0.000 0.271 400 S C 0.051 174.549 174.600 -0.170 0.000 1.171 400 S CA -0.714 57.245 58.200 -0.401 0.000 0.817 400 S CB 0.320 63.426 63.200 -0.156 0.000 1.150 400 S HN 0.448 nan 8.310 nan 0.000 0.478 401 F N 0.431 120.353 119.950 -0.047 0.000 2.269 401 F HA 0.233 4.760 4.527 0.001 0.000 0.301 401 F C 1.749 177.617 175.800 0.113 0.000 1.082 401 F CA 1.055 59.047 58.000 -0.013 0.000 1.360 401 F CB -0.481 38.465 39.000 -0.090 0.000 1.041 401 F HN 0.362 nan 8.300 nan 0.000 0.512 402 L N -2.349 119.065 121.223 0.319 0.000 2.638 402 L HA 0.211 4.551 4.340 0.001 0.000 0.232 402 L C 0.589 177.603 176.870 0.239 0.000 1.099 402 L CA 0.076 55.089 54.840 0.288 0.000 0.883 402 L CB 0.209 42.392 42.059 0.208 0.000 1.136 402 L HN -0.091 nan 8.230 nan 0.000 0.492 403 S N -0.974 114.750 115.700 0.040 0.000 2.536 403 S HA 0.437 4.907 4.470 0.001 0.000 0.287 403 S C -2.173 171.978 174.600 -0.748 0.000 1.101 403 S CA -1.261 56.733 58.200 -0.343 0.000 0.950 403 S CB 1.842 64.990 63.200 -0.087 0.000 1.056 403 S HN -0.241 nan 8.310 nan 0.000 0.481 404 P HA 0.168 nan 4.420 nan 0.000 0.216 404 P C 0.730 177.877 177.300 -0.255 0.000 1.150 404 P CA 1.677 64.296 63.100 -0.801 0.000 0.837 404 P CB -0.161 31.166 31.700 -0.623 0.000 0.786 405 G N -1.774 106.928 108.800 -0.164 0.000 2.371 405 G HA2 0.058 4.018 3.960 0.001 0.000 0.663 405 G HA3 0.058 4.018 3.960 0.001 0.000 0.663 405 G C -1.556 173.360 174.900 0.027 0.000 1.311 405 G CA -0.833 44.280 45.100 0.022 0.000 0.985 405 G HN 0.063 nan 8.290 nan 0.000 0.566 406 I N -0.133 120.476 120.570 0.064 0.000 2.730 406 I HA 0.553 4.723 4.170 0.001 0.000 0.298 406 I C -0.164 175.859 176.117 -0.157 0.000 1.089 406 I CA -1.010 60.197 61.300 -0.155 0.000 1.041 406 I CB 2.335 40.059 38.000 -0.460 0.000 1.235 406 I HN 0.438 nan 8.210 nan 0.000 0.423 407 I N 4.738 125.205 120.570 -0.171 0.000 2.339 407 I HA 0.341 4.512 4.170 0.001 0.000 0.290 407 I C -0.976 175.041 176.117 -0.167 0.000 0.994 407 I CA -0.484 60.795 61.300 -0.034 0.000 1.191 407 I CB 1.012 39.094 38.000 0.136 0.000 1.343 407 I HN 0.377 nan 8.210 nan 0.000 0.458 408 Y N 4.524 124.690 120.300 -0.223 0.000 2.488 408 Y HA 0.469 5.019 4.550 0.001 0.000 0.325 408 Y C 0.250 175.929 175.900 -0.368 0.000 1.204 408 Y CA -0.440 57.428 58.100 -0.385 0.000 1.229 408 Y CB 1.148 39.066 38.460 -0.904 0.000 1.274 408 Y HN 0.457 nan 8.280 nan 0.000 0.493 409 H N 0.828 119.762 119.070 -0.227 0.000 2.771 409 H HA 0.488 5.044 4.556 0.001 0.000 0.361 409 H C -1.857 173.295 175.328 -0.293 0.000 1.108 409 H CA -0.727 55.008 56.048 -0.522 0.000 1.201 409 H CB 1.981 31.358 29.762 -0.642 0.000 1.681 409 H HN 0.809 nan 8.280 nan 0.000 0.534 410 C N 5.282 124.020 119.300 -0.937 0.000 2.446 410 C HA 0.202 4.662 4.460 0.001 0.000 0.329 410 C C -0.651 173.971 174.990 -0.612 0.000 1.166 410 C CA -0.646 58.041 59.018 -0.550 0.000 1.341 410 C CB 0.482 28.167 27.740 -0.092 0.000 1.970 410 C HN 0.884 nan 8.230 nan 0.000 0.452 411 D N 4.277 124.417 120.400 -0.433 0.000 2.336 411 D HA 0.211 4.852 4.640 0.001 0.000 0.249 411 D C 0.706 176.991 176.300 -0.025 0.000 1.213 411 D CA -0.021 53.873 54.000 -0.177 0.000 0.870 411 D CB 0.748 41.527 40.800 -0.034 0.000 1.076 411 D HN 0.684 nan 8.370 nan 0.000 0.483 412 L N 3.159 124.411 121.223 0.048 0.000 2.612 412 L HA 0.041 4.382 4.340 0.001 0.000 0.230 412 L C 1.960 178.947 176.870 0.193 0.000 1.140 412 L CA 0.367 55.317 54.840 0.183 0.000 0.896 412 L CB -0.245 42.008 42.059 0.323 0.000 1.065 412 L HN 0.465 nan 8.230 nan 0.000 0.447 413 T N -4.750 109.867 114.554 0.105 0.000 3.065 413 T HA 0.093 4.444 4.350 0.001 0.000 0.252 413 T C 0.933 175.675 174.700 0.070 0.000 1.099 413 T CA -0.244 61.904 62.100 0.079 0.000 1.063 413 T CB 0.142 69.042 68.868 0.054 0.000 0.948 413 T HN -0.098 nan 8.240 nan 0.000 0.506 414 K N 2.086 122.527 120.400 0.069 0.000 2.249 414 K HA 0.273 4.593 4.320 0.001 0.000 0.280 414 K C 1.055 177.689 176.600 0.057 0.000 1.033 414 K CA -0.160 56.157 56.287 0.050 0.000 0.946 414 K CB 1.666 34.187 32.500 0.035 0.000 1.005 414 K HN 0.120 nan 8.250 nan 0.000 0.469 415 E N 1.947 122.171 120.200 0.041 0.000 2.085 415 E HA -0.221 4.129 4.350 0.001 0.000 0.194 415 E C -0.156 176.456 176.600 0.020 0.000 0.994 415 E CA 1.524 57.946 56.400 0.037 0.000 0.801 415 E CB 0.170 29.884 29.700 0.022 0.000 0.743 415 E HN 0.504 nan 8.360 nan 0.000 0.453 416 E N 0.100 120.304 120.200 0.007 0.000 2.063 416 E HA 0.227 4.578 4.350 0.001 0.000 0.265 416 E C -0.937 175.657 176.600 -0.010 0.000 0.919 416 E CA -0.197 56.195 56.400 -0.013 0.000 0.756 416 E CB 0.268 29.959 29.700 -0.015 0.000 1.120 416 E HN 0.149 nan 8.360 nan 0.000 0.414 417 L N 4.286 125.493 121.223 -0.026 0.000 2.513 417 L HA 0.165 4.506 4.340 0.001 0.000 0.272 417 L C 0.213 177.084 176.870 0.001 0.000 1.187 417 L CA 0.637 55.472 54.840 -0.008 0.000 0.895 417 L CB 0.359 42.397 42.059 -0.036 0.000 1.147 417 L HN 0.567 nan 8.230 nan 0.000 0.483 418 E N 5.349 125.564 120.200 0.025 0.000 2.437 418 E HA 0.263 4.613 4.350 0.001 0.000 0.238 418 E C -2.325 174.309 176.600 0.056 0.000 0.969 418 E CA -1.782 54.638 56.400 0.033 0.000 0.759 418 E CB 1.284 30.996 29.700 0.021 0.000 1.283 418 E HN 0.396 nan 8.360 nan 0.000 0.416 419 P HA 0.084 nan 4.420 nan 0.000 0.268 419 P C -0.550 176.819 177.300 0.114 0.000 1.205 419 P CA -0.015 63.151 63.100 0.111 0.000 0.771 419 P CB 1.100 32.923 31.700 0.204 0.000 0.858 420 R N 0.934 121.515 120.500 0.135 0.000 2.808 420 R HA 0.505 4.846 4.340 0.001 0.000 0.272 420 R C -0.746 175.671 176.300 0.196 0.000 0.995 420 R CA -1.317 54.878 56.100 0.158 0.000 0.917 420 R CB 1.622 31.989 30.300 0.111 0.000 1.217 420 R HN 0.165 nan 8.270 nan 0.000 0.471 421 V N 2.646 122.624 119.914 0.107 0.000 2.529 421 V HA -0.013 4.107 4.120 0.001 0.000 0.292 421 V C 0.344 176.430 176.094 -0.014 0.000 1.028 421 V CA 0.684 62.952 62.300 -0.054 0.000 1.074 421 V CB 0.419 32.167 31.823 -0.125 0.000 0.958 421 V HN 0.677 nan 8.190 nan 0.000 0.481 422 F N 4.793 124.633 119.950 -0.182 0.000 2.453 422 F HA 0.410 4.937 4.527 0.001 0.000 0.284 422 F C 1.128 176.772 175.800 -0.261 0.000 1.065 422 F CA 0.209 58.102 58.000 -0.178 0.000 1.411 422 F CB 0.424 39.385 39.000 -0.064 0.000 1.131 422 F HN 0.396 nan 8.300 nan 0.000 0.582 423 R N 0.681 121.061 120.500 -0.201 0.000 2.566 423 R HA 0.350 4.691 4.340 0.001 0.000 0.271 423 R C -1.796 174.372 176.300 -0.221 0.000 1.071 423 R CA -0.509 55.396 56.100 -0.326 0.000 0.915 423 R CB 1.601 31.687 30.300 -0.356 0.000 1.228 423 R HN 0.168 nan 8.270 nan 0.000 0.449 424 E N 3.330 123.408 120.200 -0.203 0.000 2.321 424 E HA 0.403 4.754 4.350 0.001 0.000 0.281 424 E C -1.640 174.907 176.600 -0.088 0.000 0.910 424 E CA -0.873 55.445 56.400 -0.136 0.000 0.770 424 E CB 2.015 31.626 29.700 -0.147 0.000 1.225 424 E HN 0.385 nan 8.360 nan 0.000 0.417 425 V N 0.723 120.611 119.914 -0.042 0.000 2.680 425 V HA 0.787 4.907 4.120 0.001 0.000 0.309 425 V C -0.434 175.613 176.094 -0.077 0.000 1.052 425 V CA -0.509 61.788 62.300 -0.005 0.000 0.908 425 V CB 1.647 33.543 31.823 0.122 0.000 1.001 425 V HN 0.623 nan 8.190 nan 0.000 0.431 426 T N 2.603 117.119 114.554 -0.064 0.000 2.863 426 T HA 0.629 4.979 4.350 0.001 0.000 0.285 426 T C -0.823 173.824 174.700 -0.089 0.000 1.009 426 T CA -0.359 61.682 62.100 -0.097 0.000 0.989 426 T CB 1.564 70.400 68.868 -0.053 0.000 1.004 426 T HN 0.811 nan 8.240 nan 0.000 0.455 427 V N 6.442 126.279 119.914 -0.130 0.000 2.334 427 V HA 0.333 4.454 4.120 0.001 0.000 0.267 427 V C 0.480 176.584 176.094 0.018 0.000 1.040 427 V CA -0.651 61.609 62.300 -0.068 0.000 0.866 427 V CB 0.572 32.338 31.823 -0.095 0.000 1.019 427 V HN 0.787 nan 8.190 nan 0.000 0.468 428 K N 3.613 124.039 120.400 0.044 0.000 2.416 428 K HA 0.467 4.787 4.320 0.001 0.000 0.283 428 K C 1.187 177.831 176.600 0.072 0.000 1.037 428 K CA 0.739 57.057 56.287 0.052 0.000 0.995 428 K CB 0.768 33.299 32.500 0.051 0.000 0.938 428 K HN 0.993 nan 8.250 nan 0.000 0.475 429 G N 2.642 111.486 108.800 0.073 0.000 2.352 429 G HA2 -0.157 3.803 3.960 0.001 0.000 0.204 429 G HA3 -0.157 3.803 3.960 0.001 0.000 0.204 429 G C -0.148 174.815 174.900 0.104 0.000 1.004 429 G CA -0.681 44.474 45.100 0.092 0.000 0.648 429 G HN 0.461 nan 8.290 nan 0.000 0.491 430 I N 2.249 122.883 120.570 0.108 0.000 2.382 430 I HA 0.390 4.561 4.170 0.001 0.000 0.285 430 I C -1.141 175.077 176.117 0.168 0.000 1.007 430 I CA -0.978 60.411 61.300 0.149 0.000 1.142 430 I CB 1.321 39.396 38.000 0.125 0.000 1.289 430 I HN 0.126 nan 8.210 nan 0.000 0.453 431 D N 5.377 125.901 120.400 0.206 0.000 2.456 431 D HA 0.426 5.067 4.640 0.001 0.000 0.219 431 D C 1.162 177.595 176.300 0.222 0.000 1.126 431 D CA -0.201 53.878 54.000 0.132 0.000 0.890 431 D CB 1.490 42.305 40.800 0.025 0.000 1.025 431 D HN 0.618 nan 8.370 nan 0.000 0.511 432 A N 2.761 125.715 122.820 0.223 0.000 1.986 432 A HA -0.201 4.119 4.320 0.001 0.000 0.220 432 A C 2.129 179.829 177.584 0.194 0.000 1.171 432 A CA 1.722 53.926 52.037 0.278 0.000 0.640 432 A CB -0.360 18.739 19.000 0.165 0.000 0.811 432 A HN 0.549 nan 8.150 nan 0.000 0.451 433 S N 0.172 115.914 115.700 0.070 0.000 2.442 433 S HA -0.112 4.358 4.470 0.001 0.000 0.236 433 S C 1.077 175.624 174.600 -0.088 0.000 1.007 433 S CA 1.192 59.395 58.200 0.005 0.000 0.965 433 S CB -0.276 62.919 63.200 -0.008 0.000 0.773 433 S HN 0.599 nan 8.310 nan 0.000 0.504 434 D N -0.006 120.246 120.400 -0.245 0.000 2.355 434 D HA 0.137 4.777 4.640 0.001 0.000 0.218 434 D C -0.255 175.634 176.300 -0.685 0.000 1.004 434 D CA 0.522 54.213 54.000 -0.516 0.000 0.880 434 D CB 0.175 40.539 40.800 -0.727 0.000 0.911 434 D HN 0.426 nan 8.370 nan 0.000 0.528 435 Y N 0.088 120.376 120.300 -0.021 0.000 2.630 435 Y HA 0.420 4.970 4.550 0.001 0.000 0.337 435 Y C 0.401 176.263 175.900 -0.062 0.000 1.051 435 Y CA -1.248 56.824 58.100 -0.047 0.000 1.121 435 Y CB 1.211 39.647 38.460 -0.039 0.000 1.299 435 Y HN -0.291 nan 8.280 nan 0.000 0.498 436 Q N -0.654 119.154 119.800 0.013 0.000 2.416 436 Q HA 0.773 5.113 4.340 0.001 0.000 0.281 436 Q C -1.778 174.153 176.000 -0.116 0.000 1.067 436 Q CA -1.080 54.691 55.803 -0.054 0.000 0.809 436 Q CB 2.450 31.130 28.738 -0.098 0.000 1.418 436 Q HN 0.599 nan 8.270 nan 0.000 0.411 437 T N 1.491 116.045 114.554 0.000 0.000 2.824 437 T HA 0.601 4.951 4.350 0.001 0.000 0.282 437 T C -0.560 174.211 174.700 0.119 0.000 0.993 437 T CA -0.569 61.557 62.100 0.044 0.000 0.967 437 T CB 1.412 70.373 68.868 0.155 0.000 0.960 437 T HN 0.622 nan 8.240 nan 0.000 0.441 438 V N 1.480 121.481 119.914 0.144 0.000 2.914 438 V HA 0.768 4.888 4.120 0.001 0.000 0.314 438 V C -0.993 175.227 176.094 0.209 0.000 1.084 438 V CA -1.107 61.305 62.300 0.187 0.000 0.963 438 V CB 2.088 34.026 31.823 0.191 0.000 1.025 438 V HN 0.871 nan 8.190 nan 0.000 0.432 439 Q N 2.454 122.344 119.800 0.149 0.000 2.325 439 Q HA 0.719 5.059 4.340 0.001 0.000 0.270 439 Q C -1.201 174.706 176.000 -0.156 0.000 1.020 439 Q CA -0.743 55.020 55.803 -0.067 0.000 0.785 439 Q CB 1.884 30.558 28.738 -0.107 0.000 1.259 439 Q HN 0.976 nan 8.270 nan 0.000 0.452 440 I N -0.404 119.978 120.570 -0.314 0.000 3.067 440 I HA 0.692 4.862 4.170 0.001 0.000 0.312 440 I C -1.433 174.319 176.117 -0.608 0.000 1.073 440 I CA -0.819 60.338 61.300 -0.238 0.000 1.016 440 I CB 1.458 39.416 38.000 -0.069 0.000 1.227 440 I HN 0.408 nan 8.210 nan 0.000 0.456 441 F N 2.987 122.893 119.950 -0.073 0.000 2.499 441 F HA 0.573 5.101 4.527 0.001 0.000 0.333 441 F C -0.783 174.960 175.800 -0.094 0.000 1.138 441 F CA -0.505 57.421 58.000 -0.123 0.000 0.945 441 F CB 1.500 40.437 39.000 -0.106 0.000 1.181 441 F HN 0.520 nan 8.300 nan 0.000 0.435 442 Y N 2.360 122.621 120.300 -0.065 0.000 2.446 442 Y HA 0.833 5.383 4.550 0.001 0.000 0.338 442 Y C -3.096 172.840 175.900 0.060 0.000 1.055 442 Y CA -3.725 54.346 58.100 -0.048 0.000 1.101 442 Y CB 1.117 39.428 38.460 -0.249 0.000 1.221 442 Y HN 0.256 nan 8.280 nan 0.000 0.460 443 P HA 0.124 nan 4.420 nan 0.000 0.285 443 P C -0.382 177.035 177.300 0.195 0.000 1.259 443 P CA -0.193 62.978 63.100 0.118 0.000 0.794 443 P CB 2.048 33.818 31.700 0.115 0.000 0.940 444 S N 1.775 117.533 115.700 0.097 0.000 2.671 444 S HA 0.140 4.610 4.470 0.001 0.000 0.272 444 S C 1.547 176.196 174.600 0.082 0.000 1.174 444 S CA -0.486 57.791 58.200 0.129 0.000 1.004 444 S CB 0.360 63.589 63.200 0.050 0.000 1.077 444 S HN 0.457 nan 8.310 nan 0.000 0.553 445 K N 0.230 120.669 120.400 0.065 0.000 2.074 445 K HA -0.182 4.139 4.320 0.001 0.000 0.209 445 K C 0.935 177.546 176.600 0.018 0.000 1.048 445 K CA 2.207 58.519 56.287 0.040 0.000 0.926 445 K CB -0.435 32.083 32.500 0.030 0.000 0.713 445 K HN 0.756 nan 8.250 nan 0.000 0.444 446 D N -1.960 118.438 120.400 -0.003 0.000 2.328 446 D HA 0.060 4.700 4.640 0.001 0.000 0.226 446 D C 1.002 177.295 176.300 -0.011 0.000 1.066 446 D CA 0.763 54.753 54.000 -0.016 0.000 0.861 446 D CB 0.459 41.234 40.800 -0.042 0.000 0.912 446 D HN 0.425 nan 8.370 nan 0.000 0.521 447 G N -0.538 108.265 108.800 0.004 0.000 2.213 447 G HA2 -0.263 3.697 3.960 0.001 0.000 0.236 447 G HA3 -0.263 3.697 3.960 0.001 0.000 0.236 447 G C 0.462 175.361 174.900 -0.002 0.000 0.991 447 G CA 0.171 45.276 45.100 0.008 0.000 0.629 447 G HN 0.445 nan 8.290 nan 0.000 0.517 448 T N 2.525 117.067 114.554 -0.019 0.000 2.902 448 T HA 0.383 4.734 4.350 0.001 0.000 0.301 448 T C 0.544 175.235 174.700 -0.015 0.000 1.012 448 T CA 0.383 62.474 62.100 -0.016 0.000 1.151 448 T CB 0.956 69.794 68.868 -0.050 0.000 0.946 448 T HN 0.351 nan 8.240 nan 0.000 0.542 449 K N 3.298 123.700 120.400 0.003 0.000 2.297 449 K HA 0.332 4.653 4.320 0.001 0.000 0.286 449 K C -0.275 176.344 176.600 0.032 0.000 1.053 449 K CA -0.527 55.750 56.287 -0.017 0.000 0.940 449 K CB 0.596 33.095 32.500 -0.001 0.000 1.019 449 K HN 0.386 nan 8.250 nan 0.000 0.475 450 I N 5.045 125.464 120.570 -0.251 0.000 2.433 450 I HA 0.320 4.491 4.170 0.001 0.000 0.292 450 I C -2.366 173.549 176.117 -0.336 0.000 1.001 450 I CA -3.336 57.828 61.300 -0.227 0.000 1.119 450 I CB 1.169 38.773 38.000 -0.660 0.000 1.289 450 I HN 0.295 nan 8.210 nan 0.000 0.438 451 P HA 0.439 nan 4.420 nan 0.000 0.278 451 P C -0.773 176.344 177.300 -0.304 0.000 1.238 451 P CA -0.539 62.272 63.100 -0.481 0.000 0.794 451 P CB 0.970 32.460 31.700 -0.349 0.000 0.955 452 M N 2.663 122.003 119.600 -0.432 0.000 2.277 452 M HA 0.475 4.955 4.480 0.001 0.000 0.282 452 M C -1.868 174.258 176.300 -0.290 0.000 1.074 452 M CA -0.578 54.604 55.300 -0.196 0.000 0.954 452 M CB 1.132 33.732 32.600 -0.000 0.000 1.672 452 M HN -0.001 nan 8.290 nan 0.000 0.471 453 F N 5.177 125.123 119.950 -0.007 0.000 2.394 453 F HA 0.636 5.164 4.527 0.001 0.000 0.340 453 F C -0.243 175.486 175.800 -0.118 0.000 1.105 453 F CA -0.286 57.695 58.000 -0.031 0.000 1.124 453 F CB 1.130 40.165 39.000 0.059 0.000 1.145 453 F HN 0.379 nan 8.300 nan 0.000 0.505 454 I N 3.453 124.068 120.570 0.075 0.000 2.499 454 I HA 0.446 4.616 4.170 0.001 0.000 0.288 454 I C -1.231 174.862 176.117 -0.041 0.000 1.048 454 I CA -0.889 60.397 61.300 -0.024 0.000 1.062 454 I CB 2.052 39.993 38.000 -0.097 0.000 1.238 454 I HN 0.124 nan 8.210 nan 0.000 0.426 455 V N 5.682 125.541 119.914 -0.091 0.000 2.448 455 V HA 0.591 4.712 4.120 0.001 0.000 0.295 455 V C -0.746 175.367 176.094 0.031 0.000 1.025 455 V CA -0.433 61.789 62.300 -0.130 0.000 0.859 455 V CB 1.495 33.165 31.823 -0.256 0.000 0.988 455 V HN 0.971 nan 8.190 nan 0.000 0.431 456 H N 1.695 120.813 119.070 0.079 0.000 2.948 456 H HA 0.572 5.129 4.556 0.001 0.000 0.315 456 H C -0.776 174.647 175.328 0.158 0.000 1.360 456 H CA -1.182 54.924 56.048 0.097 0.000 1.125 456 H CB 1.184 30.996 29.762 0.084 0.000 1.844 456 H HN 0.461 nan 8.280 nan 0.000 0.529 457 K N 1.338 121.937 120.400 0.332 0.000 2.350 457 K HA 0.159 4.480 4.320 0.001 0.000 0.279 457 K C -0.575 176.151 176.600 0.211 0.000 1.027 457 K CA -0.536 55.858 56.287 0.178 0.000 0.969 457 K CB 0.487 33.021 32.500 0.057 0.000 0.954 457 K HN 0.594 nan 8.250 nan 0.000 0.474 458 K N 1.734 122.161 120.400 0.046 0.000 2.448 458 K HA 0.028 4.349 4.320 0.001 0.000 0.278 458 K C 0.703 177.333 176.600 0.051 0.000 1.009 458 K CA 0.946 57.274 56.287 0.069 0.000 0.995 458 K CB 0.495 32.987 32.500 -0.012 0.000 0.917 458 K HN 0.954 nan 8.250 nan 0.000 0.481 459 G N 2.398 111.243 108.800 0.074 0.000 2.159 459 G HA2 -0.258 3.703 3.960 0.001 0.000 0.256 459 G HA3 -0.258 3.703 3.960 0.001 0.000 0.256 459 G C 0.252 175.145 174.900 -0.012 0.000 0.977 459 G CA 0.261 45.374 45.100 0.021 0.000 0.652 459 G HN 0.725 nan 8.290 nan 0.000 0.531 460 I N -1.602 118.941 120.570 -0.045 0.000 2.696 460 I HA 0.558 4.729 4.170 0.001 0.000 0.284 460 I C 0.436 176.495 176.117 -0.097 0.000 1.129 460 I CA -0.564 60.668 61.300 -0.113 0.000 1.410 460 I CB 0.575 38.369 38.000 -0.343 0.000 1.399 460 I HN -0.052 nan 8.210 nan 0.000 0.579 461 K N 6.120 126.526 120.400 0.008 0.000 2.234 461 K HA 0.388 4.708 4.320 0.001 0.000 0.282 461 K C -0.566 176.059 176.600 0.041 0.000 1.039 461 K CA -0.458 55.832 56.287 0.005 0.000 0.928 461 K CB 1.299 33.808 32.500 0.015 0.000 1.039 461 K HN 0.597 nan 8.250 nan 0.000 0.470 462 L N 4.633 125.796 121.223 -0.101 0.000 2.437 462 L HA 0.031 4.371 4.340 0.001 0.000 0.243 462 L C 0.252 177.056 176.870 -0.111 0.000 1.346 462 L CA -0.108 54.626 54.840 -0.178 0.000 1.233 462 L CB -0.729 41.110 42.059 -0.367 0.000 1.436 462 L HN 0.703 nan 8.230 nan 0.000 0.416 463 D N -0.766 119.598 120.400 -0.060 0.000 2.369 463 D HA 0.088 4.728 4.640 0.001 0.000 0.211 463 D C 1.382 177.618 176.300 -0.105 0.000 1.077 463 D CA 0.388 54.334 54.000 -0.089 0.000 0.842 463 D CB 0.588 41.332 40.800 -0.093 0.000 0.947 463 D HN 0.378 nan 8.370 nan 0.000 0.509 464 G N 0.527 109.272 108.800 -0.091 0.000 2.143 464 G HA2 -0.331 3.630 3.960 0.001 0.000 0.249 464 G HA3 -0.331 3.630 3.960 0.001 0.000 0.249 464 G C 0.993 175.821 174.900 -0.121 0.000 0.981 464 G CA 0.692 45.752 45.100 -0.066 0.000 0.665 464 G HN 0.684 nan 8.290 nan 0.000 0.528 465 S N -0.302 115.214 115.700 -0.306 0.000 2.575 465 S HA 0.249 4.720 4.470 0.001 0.000 0.215 465 S C 0.724 175.108 174.600 -0.360 0.000 0.966 465 S CA -0.087 57.914 58.200 -0.331 0.000 0.911 465 S CB 0.054 63.037 63.200 -0.361 0.000 0.780 465 S HN 0.611 nan 8.310 nan 0.000 0.514 466 H N 2.480 121.562 119.070 0.019 0.000 2.487 466 H HA 0.442 4.999 4.556 0.001 0.000 0.333 466 H C -2.897 172.483 175.328 0.086 0.000 1.114 466 H CA -2.195 53.873 56.048 0.033 0.000 1.310 466 H CB 0.425 30.207 29.762 0.033 0.000 1.462 466 H HN 0.178 nan 8.280 nan 0.000 0.516 467 P HA 0.245 nan 4.420 nan 0.000 0.275 467 P C -0.867 176.676 177.300 0.405 0.000 1.228 467 P CA -0.213 63.053 63.100 0.277 0.000 0.786 467 P CB 0.862 32.719 31.700 0.261 0.000 0.927 468 A N 2.578 125.691 122.820 0.489 0.000 2.454 468 A HA 0.759 5.080 4.320 0.001 0.000 0.302 468 A C -1.765 176.144 177.584 0.541 0.000 1.079 468 A CA -0.527 51.820 52.037 0.516 0.000 0.731 468 A CB 0.957 20.147 19.000 0.317 0.000 1.299 468 A HN 0.484 nan 8.150 nan 0.000 0.413 469 F N 2.166 122.301 119.950 0.309 0.000 2.496 469 F HA 0.598 5.126 4.527 0.001 0.000 0.341 469 F C -1.234 174.645 175.800 0.132 0.000 1.134 469 F CA -0.840 57.206 58.000 0.077 0.000 0.968 469 F CB 1.554 40.406 39.000 -0.247 0.000 1.205 469 F HN 0.505 nan 8.300 nan 0.000 0.436 470 L N 8.251 129.429 121.223 -0.075 0.000 2.305 470 L HA 0.487 4.827 4.340 0.001 0.000 0.284 470 L C -1.980 174.939 176.870 0.082 0.000 1.013 470 L CA -0.696 54.163 54.840 0.033 0.000 0.819 470 L CB 0.928 42.937 42.059 -0.084 0.000 1.227 470 L HN 0.615 nan 8.230 nan 0.000 0.417 471 Y N 4.170 124.571 120.300 0.168 0.000 2.446 471 Y HA 0.834 5.385 4.550 0.001 0.000 0.338 471 Y C 0.095 176.209 175.900 0.357 0.000 1.055 471 Y CA -0.045 58.187 58.100 0.220 0.000 1.101 471 Y CB 1.999 40.617 38.460 0.263 0.000 1.221 471 Y HN 0.763 nan 8.280 nan 0.000 0.460 472 G N 3.283 111.721 108.800 -0.603 0.000 2.698 472 G HA2 0.297 4.257 3.960 0.001 0.000 0.293 472 G HA3 0.297 4.257 3.960 0.001 0.000 0.293 472 G C -2.034 172.470 174.900 -0.660 0.000 1.437 472 G CA -0.441 44.395 45.100 -0.441 0.000 0.852 472 G HN 0.648 nan 8.290 nan 0.000 0.499 473 Y N 0.587 120.650 120.300 -0.396 0.000 3.224 473 Y HA 0.472 5.022 4.550 0.001 0.000 0.184 473 Y C 1.602 177.387 175.900 -0.192 0.000 0.891 473 Y CA 1.539 59.481 58.100 -0.263 0.000 1.736 473 Y CB 0.482 38.904 38.460 -0.063 0.000 1.411 473 Y HN 1.686 nan 8.280 nan 0.000 0.402 474 G N 1.016 109.782 108.800 -0.058 0.000 2.470 474 G HA2 0.326 4.287 3.960 0.001 0.000 0.286 474 G HA3 0.326 4.287 3.960 0.001 0.000 0.286 474 G C 0.031 174.758 174.900 -0.287 0.000 1.115 474 G CA 0.491 45.491 45.100 -0.167 0.000 1.122 474 G HN 1.356 nan 8.290 nan 0.000 0.522 475 G N -1.446 107.278 108.800 -0.126 0.000 2.325 475 G HA2 0.619 4.579 3.960 0.001 0.000 0.297 475 G HA3 0.619 4.579 3.960 0.001 0.000 0.297 475 G C 0.005 174.959 174.900 0.090 0.000 1.448 475 G CA 0.166 45.139 45.100 -0.211 0.000 0.838 475 G HN 1.441 nan 8.290 nan 0.000 0.579 476 F N -0.355 119.571 119.950 -0.040 0.000 3.084 476 F HA -0.250 4.277 4.527 0.001 0.000 0.286 476 F C 1.344 176.974 175.800 -0.284 0.000 0.855 476 F CA 1.274 59.202 58.000 -0.120 0.000 1.091 476 F CB -1.428 37.546 39.000 -0.043 0.000 1.177 476 F HN 1.069 nan 8.300 nan 0.000 0.542 477 N N -0.507 117.962 118.700 -0.385 0.000 2.741 477 N HA -0.205 4.536 4.740 0.001 0.000 0.251 477 N C -0.441 175.056 175.510 -0.023 0.000 1.112 477 N CA 1.027 53.894 53.050 -0.306 0.000 0.750 477 N CB -0.654 37.561 38.487 -0.454 0.000 1.119 477 N HN 0.386 nan 8.380 nan 0.000 0.561 478 I N 0.794 121.422 120.570 0.097 0.000 2.395 478 I HA 0.171 4.341 4.170 0.001 0.000 0.289 478 I C 0.557 176.746 176.117 0.120 0.000 1.023 478 I CA -0.090 61.265 61.300 0.093 0.000 1.350 478 I CB 1.234 39.275 38.000 0.069 0.000 1.409 478 I HN 0.039 nan 8.210 nan 0.000 0.507 479 S N 6.733 122.473 115.700 0.067 0.000 2.480 479 S HA 0.484 4.955 4.470 0.001 0.000 0.286 479 S C 0.098 174.755 174.600 0.094 0.000 1.180 479 S CA -0.547 57.699 58.200 0.077 0.000 1.075 479 S CB 1.126 64.337 63.200 0.018 0.000 0.996 479 S HN 0.247 nan 8.310 nan 0.000 0.487 480 I N 4.777 125.445 120.570 0.163 0.000 2.282 480 I HA 0.193 4.363 4.170 0.001 0.000 0.290 480 I C 1.066 177.317 176.117 0.223 0.000 1.090 480 I CA -0.219 61.205 61.300 0.206 0.000 1.231 480 I CB -0.571 37.627 38.000 0.330 0.000 1.434 480 I HN 0.597 nan 8.210 nan 0.000 0.487 481 T N 4.220 118.841 114.554 0.112 0.000 2.936 481 T HA 0.610 4.960 4.350 0.001 0.000 0.282 481 T C -2.630 171.958 174.700 -0.188 0.000 1.003 481 T CA -2.203 59.928 62.100 0.051 0.000 1.005 481 T CB 1.463 70.335 68.868 0.007 0.000 1.097 481 T HN 0.150 nan 8.240 nan 0.000 0.532 482 P HA 0.255 nan 4.420 nan 0.000 0.264 482 P C -0.533 176.290 177.300 -0.794 0.000 1.183 482 P CA 0.049 62.374 63.100 -1.291 0.000 0.763 482 P CB 0.254 31.177 31.700 -1.294 0.000 0.807 483 N N 1.423 119.663 118.700 -0.766 0.000 2.484 483 N HA 0.184 4.924 4.740 0.001 0.000 0.269 483 N C -1.881 173.561 175.510 -0.113 0.000 1.237 483 N CA -0.572 52.297 53.050 -0.303 0.000 0.838 483 N CB 1.142 39.539 38.487 -0.151 0.000 1.593 483 N HN 0.193 nan 8.380 nan 0.000 0.485 484 Y N 1.260 121.488 120.300 -0.120 0.000 2.336 484 Y HA 0.405 4.955 4.550 0.001 0.000 0.335 484 Y C -0.157 175.767 175.900 0.040 0.000 1.046 484 Y CA 0.126 58.211 58.100 -0.025 0.000 1.198 484 Y CB 0.632 39.080 38.460 -0.020 0.000 1.182 484 Y HN 0.323 nan 8.280 nan 0.000 0.502 485 S N 5.891 121.297 115.700 -0.490 0.000 2.779 485 S HA 0.246 4.716 4.470 0.001 0.000 0.293 485 S C 0.077 174.343 174.600 -0.557 0.000 1.150 485 S CA -0.661 57.315 58.200 -0.374 0.000 1.057 485 S CB 1.076 64.169 63.200 -0.179 0.000 1.021 485 S HN 0.753 nan 8.310 nan 0.000 0.485 486 V N 5.245 124.880 119.914 -0.466 0.000 2.515 486 V HA -0.073 4.048 4.120 0.001 0.000 0.250 486 V C 2.371 178.330 176.094 -0.226 0.000 1.058 486 V CA 2.769 64.880 62.300 -0.315 0.000 1.064 486 V CB -0.612 31.224 31.823 0.022 0.000 0.675 486 V HN 1.007 nan 8.190 nan 0.000 0.461 487 S N 0.375 115.959 115.700 -0.192 0.000 2.356 487 S HA -0.268 4.202 4.470 0.001 0.000 0.223 487 S C 2.069 176.527 174.600 -0.238 0.000 1.032 487 S CA 1.582 59.719 58.200 -0.105 0.000 1.005 487 S CB -0.619 62.596 63.200 0.025 0.000 0.867 487 S HN 0.650 nan 8.310 nan 0.000 0.449 488 R N 0.866 121.227 120.500 -0.232 0.000 2.115 488 R HA 0.215 4.556 4.340 0.001 0.000 0.230 488 R C 2.333 178.517 176.300 -0.194 0.000 1.111 488 R CA 1.208 57.159 56.100 -0.249 0.000 0.976 488 R CB -0.570 29.617 30.300 -0.189 0.000 0.870 488 R HN 0.415 nan 8.270 nan 0.000 0.445 489 L N 0.331 121.403 121.223 -0.252 0.000 2.201 489 L HA -0.109 4.232 4.340 0.001 0.000 0.212 489 L C 2.152 178.884 176.870 -0.230 0.000 1.105 489 L CA 0.924 55.587 54.840 -0.294 0.000 0.775 489 L CB -0.243 41.599 42.059 -0.362 0.000 0.913 489 L HN 0.185 nan 8.230 nan 0.000 0.440 490 I N -0.966 119.495 120.570 -0.182 0.000 2.353 490 I HA -0.297 3.873 4.170 0.001 0.000 0.248 490 I C 2.436 178.508 176.117 -0.074 0.000 1.119 490 I CA 1.138 62.377 61.300 -0.101 0.000 1.417 490 I CB -0.232 37.616 38.000 -0.254 0.000 1.078 490 I HN 0.165 nan 8.210 nan 0.000 0.421 491 F N 1.420 121.186 119.950 -0.308 0.000 2.134 491 F HA -0.200 4.327 4.527 0.001 0.000 0.299 491 F C 2.234 177.962 175.800 -0.120 0.000 1.097 491 F CA 1.589 59.444 58.000 -0.242 0.000 1.264 491 F CB -0.408 38.365 39.000 -0.378 0.000 1.001 491 F HN -0.221 nan 8.300 nan 0.000 0.479 492 V N 0.730 120.542 119.914 -0.170 0.000 2.270 492 V HA -0.250 3.871 4.120 0.001 0.000 0.245 492 V C 2.520 178.488 176.094 -0.211 0.000 1.043 492 V CA 2.222 64.389 62.300 -0.222 0.000 1.014 492 V CB -0.798 30.931 31.823 -0.157 0.000 0.645 492 V HN 0.267 nan 8.190 nan 0.000 0.447 493 R N -0.193 120.171 120.500 -0.226 0.000 2.062 493 R HA -0.098 4.242 4.340 0.001 0.000 0.229 493 R C 2.176 178.125 176.300 -0.585 0.000 1.128 493 R CA 1.808 57.723 56.100 -0.309 0.000 0.960 493 R CB -0.643 29.454 30.300 -0.339 0.000 0.855 493 R HN 0.630 nan 8.270 nan 0.000 0.432 494 H N -1.195 117.619 119.070 -0.426 0.000 2.563 494 H HA 0.227 4.783 4.556 0.001 0.000 0.264 494 H C 0.911 175.841 175.328 -0.664 0.000 0.957 494 H CA 0.951 56.520 56.048 -0.798 0.000 1.173 494 H CB 0.476 29.377 29.762 -1.435 0.000 1.420 494 H HN 0.259 nan 8.280 nan 0.000 0.551 495 M N -1.101 118.313 119.600 -0.309 0.000 2.300 495 M HA 0.240 4.720 4.480 0.001 0.000 0.313 495 M C 0.969 177.102 176.300 -0.278 0.000 0.988 495 M CA 0.160 55.343 55.300 -0.195 0.000 1.012 495 M CB 1.613 34.207 32.600 -0.010 0.000 1.586 495 M HN 0.188 nan 8.290 nan 0.000 0.562 496 G N 1.464 110.084 108.800 -0.299 0.000 2.249 496 G HA2 -0.197 3.764 3.960 0.001 0.000 0.273 496 G HA3 -0.197 3.764 3.960 0.001 0.000 0.273 496 G C 0.238 174.985 174.900 -0.255 0.000 1.036 496 G CA 0.055 45.031 45.100 -0.206 0.000 0.824 496 G HN 0.611 nan 8.290 nan 0.000 0.504 497 G N -1.856 106.592 108.800 -0.588 0.000 2.522 497 G HA2 0.689 4.650 3.960 0.001 0.000 0.304 497 G HA3 0.689 4.650 3.960 0.001 0.000 0.304 497 G C -0.346 174.469 174.900 -0.142 0.000 1.210 497 G CA -0.129 44.569 45.100 -0.671 0.000 0.960 497 G HN 0.918 nan 8.290 nan 0.000 0.497 498 V N 0.524 120.540 119.914 0.170 0.000 2.495 498 V HA 0.432 4.552 4.120 0.001 0.000 0.298 498 V C -0.508 175.822 176.094 0.394 0.000 1.031 498 V CA -0.713 61.741 62.300 0.257 0.000 0.871 498 V CB 1.482 33.459 31.823 0.256 0.000 0.988 498 V HN 0.651 nan 8.190 nan 0.000 0.432 499 L N 4.605 125.989 121.223 0.268 0.000 2.309 499 L HA 0.949 5.289 4.340 0.001 0.000 0.282 499 L C -0.026 176.919 176.870 0.124 0.000 1.036 499 L CA -0.064 54.922 54.840 0.244 0.000 0.806 499 L CB 1.307 43.423 42.059 0.095 0.000 1.220 499 L HN 0.810 nan 8.230 nan 0.000 0.429 500 A N 4.387 127.313 122.820 0.177 0.000 2.486 500 A HA 0.811 5.132 4.320 0.001 0.000 0.300 500 A C -1.718 175.995 177.584 0.215 0.000 1.048 500 A CA -0.539 51.564 52.037 0.110 0.000 0.696 500 A CB 1.851 20.879 19.000 0.047 0.000 1.278 500 A HN 0.515 nan 8.150 nan 0.000 0.405 501 V N 1.516 121.578 119.914 0.246 0.000 2.482 501 V HA 0.669 4.789 4.120 0.001 0.000 0.295 501 V C 0.279 176.584 176.094 0.352 0.000 1.026 501 V CA -0.291 62.250 62.300 0.402 0.000 0.856 501 V CB 1.460 33.589 31.823 0.511 0.000 1.001 501 V HN 1.354 nan 8.190 nan 0.000 0.424 502 A N 3.577 126.618 122.820 0.369 0.000 2.274 502 A HA 0.611 4.931 4.320 0.001 0.000 0.309 502 A C 0.102 177.894 177.584 0.346 0.000 1.226 502 A CA -0.521 51.724 52.037 0.347 0.000 0.853 502 A CB 0.066 19.309 19.000 0.405 0.000 1.146 502 A HN 0.884 nan 8.150 nan 0.000 0.518 503 N N 2.418 121.287 118.700 0.283 0.000 3.298 503 N HA 0.261 5.001 4.740 0.001 0.000 0.292 503 N C 0.323 176.108 175.510 0.458 0.000 1.271 503 N CA -0.235 53.003 53.050 0.313 0.000 1.184 503 N CB 0.061 38.657 38.487 0.181 0.000 1.452 503 N HN 0.784 nan 8.380 nan 0.000 0.534 504 I N -2.377 118.401 120.570 0.346 0.000 3.060 504 I HA 0.176 4.347 4.170 0.001 0.000 0.285 504 I C 0.546 176.672 176.117 0.014 0.000 1.190 504 I CA -0.706 60.713 61.300 0.199 0.000 1.363 504 I CB 0.741 38.809 38.000 0.114 0.000 1.396 504 I HN 0.115 nan 8.210 nan 0.000 0.607 505 R N 1.736 121.956 120.500 -0.467 0.000 2.784 505 R HA 0.289 4.629 4.340 0.001 0.000 0.266 505 R C 1.095 177.126 176.300 -0.449 0.000 1.044 505 R CA 1.095 56.654 56.100 -0.902 0.000 1.151 505 R CB 0.225 29.940 30.300 -0.976 0.000 1.037 505 R HN 1.077 nan 8.270 nan 0.000 0.478 506 G N 0.229 108.821 108.800 -0.346 0.000 2.313 506 G HA2 -0.225 3.736 3.960 0.001 0.000 0.215 506 G HA3 -0.225 3.736 3.960 0.001 0.000 0.215 506 G C 0.507 175.452 174.900 0.075 0.000 1.023 506 G CA -0.278 44.724 45.100 -0.164 0.000 0.626 506 G HN 0.894 nan 8.290 nan 0.000 0.503 507 G N -0.348 108.550 108.800 0.164 0.000 2.588 507 G HA2 0.558 4.519 3.960 0.001 0.000 0.278 507 G HA3 0.558 4.519 3.960 0.001 0.000 0.278 507 G C 1.014 176.136 174.900 0.372 0.000 1.307 507 G CA 0.263 45.541 45.100 0.298 0.000 1.016 507 G HN 1.347 nan 8.290 nan 0.000 0.503 508 G N -1.493 107.451 108.800 0.240 0.000 3.575 508 G HA2 0.288 4.248 3.960 0.001 0.000 0.273 508 G HA3 0.288 4.248 3.960 0.001 0.000 0.273 508 G C 0.912 175.841 174.900 0.048 0.000 1.053 508 G CA 0.119 45.325 45.100 0.175 0.000 0.803 508 G HN 0.518 nan 8.290 nan 0.000 0.528 509 E N 0.185 120.347 120.200 -0.063 0.000 2.130 509 E HA -0.145 4.205 4.350 0.001 0.000 0.196 509 E C 0.318 176.398 176.600 -0.867 0.000 0.998 509 E CA 1.198 57.298 56.400 -0.501 0.000 0.806 509 E CB -0.163 29.143 29.700 -0.657 0.000 0.738 509 E HN 0.588 nan 8.360 nan 0.000 0.459 510 Y N -0.455 119.598 120.300 -0.412 0.000 2.736 510 Y HA 0.427 4.978 4.550 0.001 0.000 0.293 510 Y C 0.856 176.789 175.900 0.055 0.000 1.062 510 Y CA -0.034 57.911 58.100 -0.259 0.000 1.247 510 Y CB 0.686 38.821 38.460 -0.543 0.000 1.200 510 Y HN 0.116 nan 8.280 nan 0.000 0.552 511 G N 0.160 109.073 108.800 0.189 0.000 2.698 511 G HA2 -0.281 3.680 3.960 0.001 0.000 0.233 511 G HA3 -0.281 3.680 3.960 0.001 0.000 0.233 511 G C 0.814 175.890 174.900 0.294 0.000 1.352 511 G CA -0.032 45.228 45.100 0.266 0.000 0.879 511 G HN 0.188 nan 8.290 nan 0.000 0.567 512 E N 0.127 120.457 120.200 0.216 0.000 2.160 512 E HA -0.148 4.203 4.350 0.001 0.000 0.195 512 E C 2.873 179.580 176.600 0.179 0.000 0.991 512 E CA 2.288 58.801 56.400 0.189 0.000 0.810 512 E CB -0.830 28.907 29.700 0.062 0.000 0.742 512 E HN 0.902 nan 8.360 nan 0.000 0.466 513 T N -2.231 112.430 114.554 0.177 0.000 2.867 513 T HA -0.146 4.204 4.350 0.001 0.000 0.268 513 T C 1.771 176.602 174.700 0.218 0.000 1.057 513 T CA 0.701 62.891 62.100 0.150 0.000 1.136 513 T CB -0.482 68.475 68.868 0.149 0.000 0.874 513 T HN 0.335 nan 8.240 nan 0.000 0.466 514 W N 1.449 122.802 121.300 0.089 0.000 2.409 514 W HA -0.095 4.566 4.660 0.001 0.000 0.299 514 W C 2.361 178.923 176.519 0.072 0.000 1.203 514 W CA 1.216 58.619 57.345 0.097 0.000 1.298 514 W CB -0.367 29.199 29.460 0.176 0.000 1.127 514 W HN 0.499 nan 8.180 nan 0.000 0.528 515 H N 0.745 119.910 119.070 0.159 0.000 2.293 515 H HA -0.151 4.405 4.556 0.001 0.000 0.300 515 H C 2.052 177.301 175.328 -0.131 0.000 1.082 515 H CA 1.779 57.823 56.048 -0.007 0.000 1.308 515 H CB -0.080 29.699 29.762 0.029 0.000 1.375 515 H HN 0.028 nan 8.280 nan 0.000 0.495 516 K N -0.034 120.225 120.400 -0.235 0.000 2.280 516 K HA -0.068 4.253 4.320 0.001 0.000 0.202 516 K C 2.084 178.495 176.600 -0.316 0.000 1.047 516 K CA 0.727 56.805 56.287 -0.348 0.000 0.942 516 K CB -0.044 32.332 32.500 -0.207 0.000 0.739 516 K HN 0.360 nan 8.250 nan 0.000 0.457 517 G N 0.471 109.105 108.800 -0.276 0.000 2.848 517 G HA2 -0.060 3.901 3.960 0.001 0.000 0.208 517 G HA3 -0.060 3.901 3.960 0.001 0.000 0.208 517 G C 0.758 175.407 174.900 -0.419 0.000 1.152 517 G CA 0.494 45.394 45.100 -0.334 0.000 0.789 517 G HN 0.369 nan 8.290 nan 0.000 0.531 518 G N 0.207 108.745 108.800 -0.435 0.000 4.773 518 G HA2 0.489 4.449 3.960 0.001 0.000 0.269 518 G HA3 0.489 4.449 3.960 0.001 0.000 0.269 518 G C -0.064 174.540 174.900 -0.493 0.000 0.992 518 G CA -0.230 44.584 45.100 -0.476 0.000 0.775 518 G HN 0.499 nan 8.290 nan 0.000 0.471 519 I N -3.325 116.949 120.570 -0.494 0.000 3.074 519 I HA 0.733 4.904 4.170 0.001 0.000 0.310 519 I C 0.783 176.605 176.117 -0.491 0.000 1.153 519 I CA -1.249 59.757 61.300 -0.489 0.000 0.993 519 I CB 1.565 39.228 38.000 -0.561 0.000 1.237 519 I HN 0.084 nan 8.210 nan 0.000 0.443 520 L N 0.950 121.916 121.223 -0.428 0.000 6.079 520 L HA -0.388 3.953 4.340 0.001 0.000 0.053 520 L C 1.922 178.052 176.870 -1.234 0.000 2.483 520 L CA 1.400 55.846 54.840 -0.658 0.000 1.581 520 L CB -1.820 39.891 42.059 -0.581 0.000 2.843 520 L HN 0.959 nan 8.230 nan 0.000 1.020 521 A N -0.447 121.268 122.820 -1.842 0.000 2.070 521 A HA -0.090 4.230 4.320 0.001 0.000 0.220 521 A C 1.430 178.525 177.584 -0.814 0.000 1.159 521 A CA 2.066 53.041 52.037 -1.771 0.000 0.656 521 A CB -0.586 17.738 19.000 -1.126 0.000 0.800 521 A HN 0.660 nan 8.150 nan 0.000 0.453 522 N N -0.772 117.552 118.700 -0.626 0.000 2.268 522 N HA 0.012 4.752 4.740 0.001 0.000 0.204 522 N C 1.144 176.366 175.510 -0.480 0.000 1.124 522 N CA 0.323 53.101 53.050 -0.453 0.000 0.838 522 N CB 0.502 38.756 38.487 -0.389 0.000 0.994 522 N HN 0.410 nan 8.380 nan 0.000 0.489 523 K N 1.671 121.758 120.400 -0.522 0.000 2.152 523 K HA -0.179 4.141 4.320 0.001 0.000 0.206 523 K C 1.883 177.977 176.600 -0.844 0.000 1.048 523 K CA 1.221 57.114 56.287 -0.655 0.000 0.933 523 K CB -0.044 32.099 32.500 -0.594 0.000 0.721 523 K HN -0.034 nan 8.250 nan 0.000 0.447 524 Q N 0.572 120.060 119.800 -0.520 0.000 2.297 524 Q HA -0.107 4.233 4.340 0.001 0.000 0.208 524 Q C 1.231 177.034 176.000 -0.329 0.000 0.981 524 Q CA 1.574 57.191 55.803 -0.310 0.000 0.876 524 Q CB -0.320 28.386 28.738 -0.054 0.000 0.921 524 Q HN 0.377 nan 8.270 nan 0.000 0.446 525 N N -0.807 117.664 118.700 -0.382 0.000 2.166 525 N HA -0.145 4.596 4.740 0.001 0.000 0.186 525 N C 1.533 176.837 175.510 -0.344 0.000 1.019 525 N CA 1.445 54.306 53.050 -0.314 0.000 0.856 525 N CB -0.735 37.545 38.487 -0.345 0.000 0.993 525 N HN 0.349 nan 8.380 nan 0.000 0.426 526 C N 0.476 119.445 119.300 -0.553 0.000 2.413 526 C HA -0.116 4.344 4.460 0.001 0.000 0.277 526 C C 2.451 177.266 174.990 -0.291 0.000 1.228 526 C CA 0.365 59.066 59.018 -0.528 0.000 1.731 526 C CB -1.573 25.660 27.740 -0.845 0.000 2.042 526 C HN 0.299 nan 8.230 nan 0.000 0.468 527 F N 1.624 121.488 119.950 -0.145 0.000 2.134 527 F HA -0.100 4.427 4.527 0.001 0.000 0.299 527 F C 2.192 178.017 175.800 0.041 0.000 1.097 527 F CA 1.329 59.298 58.000 -0.052 0.000 1.264 527 F CB -1.388 37.549 39.000 -0.105 0.000 1.001 527 F HN 0.249 nan 8.300 nan 0.000 0.479 528 D N 0.286 120.768 120.400 0.137 0.000 2.117 528 D HA -0.148 4.492 4.640 0.001 0.000 0.197 528 D C 1.828 178.211 176.300 0.137 0.000 0.987 528 D CA 1.453 55.518 54.000 0.110 0.000 0.829 528 D CB -0.503 40.319 40.800 0.035 0.000 0.961 528 D HN 0.204 nan 8.370 nan 0.000 0.460 529 D N -0.132 120.332 120.400 0.107 0.000 2.104 529 D HA -0.148 4.493 4.640 0.001 0.000 0.194 529 D C 1.833 178.336 176.300 0.339 0.000 0.994 529 D CA 0.489 54.610 54.000 0.201 0.000 0.830 529 D CB -0.491 40.367 40.800 0.096 0.000 0.959 529 D HN 0.150 nan 8.370 nan 0.000 0.452 530 F N 1.437 121.458 119.950 0.118 0.000 2.146 530 F HA -0.126 4.402 4.527 0.001 0.000 0.298 530 F C 2.383 178.262 175.800 0.132 0.000 1.096 530 F CA 1.284 59.355 58.000 0.118 0.000 1.275 530 F CB -0.205 38.845 39.000 0.084 0.000 1.008 530 F HN -0.071 nan 8.300 nan 0.000 0.480 531 Q N -1.244 118.702 119.800 0.244 0.000 2.124 531 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 531 Q C 2.386 178.388 176.000 0.004 0.000 0.977 531 Q CA 1.840 57.724 55.803 0.135 0.000 0.850 531 Q CB -0.562 28.273 28.738 0.161 0.000 0.901 531 Q HN 0.413 nan 8.270 nan 0.000 0.429 532 C N 0.055 119.385 119.300 0.051 0.000 2.432 532 C HA -0.008 4.452 4.460 0.001 0.000 0.280 532 C C 2.728 177.549 174.990 -0.283 0.000 1.353 532 C CA 0.476 59.504 59.018 0.017 0.000 1.766 532 C CB -1.107 26.766 27.740 0.222 0.000 1.924 532 C HN 0.597 nan 8.230 nan 0.000 0.509 533 A N 0.783 123.342 122.820 -0.436 0.000 1.873 533 A HA 0.112 4.432 4.320 0.001 0.000 0.215 533 A C 2.395 179.739 177.584 -0.400 0.000 1.186 533 A CA 1.877 53.445 52.037 -0.781 0.000 0.616 533 A CB -0.929 17.781 19.000 -0.483 0.000 0.823 533 A HN 0.523 nan 8.150 nan 0.000 0.442 534 A N -0.034 122.604 122.820 -0.304 0.000 1.908 534 A HA -0.209 4.112 4.320 0.001 0.000 0.218 534 A C 1.907 179.404 177.584 -0.145 0.000 1.181 534 A CA 1.767 53.689 52.037 -0.192 0.000 0.627 534 A CB -0.614 18.290 19.000 -0.160 0.000 0.818 534 A HN 0.642 nan 8.150 nan 0.000 0.445 535 E N -1.810 118.307 120.200 -0.137 0.000 2.110 535 E HA -0.215 4.135 4.350 0.001 0.000 0.193 535 E C 1.849 178.424 176.600 -0.043 0.000 0.988 535 E CA 1.436 57.783 56.400 -0.089 0.000 0.804 535 E CB -0.309 29.356 29.700 -0.057 0.000 0.745 535 E HN 0.815 nan 8.360 nan 0.000 0.458 536 Y N 1.434 121.629 120.300 -0.174 0.000 2.145 536 Y HA -0.193 4.358 4.550 0.001 0.000 0.286 536 Y C 1.938 177.820 175.900 -0.029 0.000 1.145 536 Y CA 1.392 59.422 58.100 -0.116 0.000 1.148 536 Y CB -0.183 38.133 38.460 -0.241 0.000 0.981 536 Y HN -0.068 nan 8.280 nan 0.000 0.507 537 L N -0.354 120.935 121.223 0.110 0.000 2.127 537 L HA -0.239 4.101 4.340 0.001 0.000 0.211 537 L C 2.294 179.218 176.870 0.091 0.000 1.089 537 L CA 1.427 56.350 54.840 0.139 0.000 0.757 537 L CB -0.513 41.597 42.059 0.085 0.000 0.899 537 L HN 0.324 nan 8.230 nan 0.000 0.434 538 I N -0.450 120.117 120.570 -0.005 0.000 2.277 538 I HA -0.242 3.929 4.170 0.001 0.000 0.243 538 I C 2.672 178.751 176.117 -0.064 0.000 1.094 538 I CA 1.036 62.319 61.300 -0.028 0.000 1.393 538 I CB -0.240 37.724 38.000 -0.060 0.000 1.078 538 I HN 0.161 nan 8.210 nan 0.000 0.417 539 K N 0.898 121.235 120.400 -0.104 0.000 2.097 539 K HA -0.191 4.129 4.320 0.001 0.000 0.206 539 K C 1.656 178.155 176.600 -0.169 0.000 1.049 539 K CA 1.382 57.593 56.287 -0.127 0.000 0.933 539 K CB 0.114 32.537 32.500 -0.129 0.000 0.717 539 K HN 0.158 nan 8.250 nan 0.000 0.442 540 E N -0.675 119.376 120.200 -0.249 0.000 2.502 540 E HA 0.004 4.355 4.350 0.001 0.000 0.194 540 E C 0.974 177.434 176.600 -0.233 0.000 1.062 540 E CA 0.813 57.057 56.400 -0.260 0.000 0.867 540 E CB 0.522 29.997 29.700 -0.376 0.000 0.888 540 E HN 0.612 nan 8.360 nan 0.000 0.510 541 G N 0.678 109.393 108.800 -0.142 0.000 2.157 541 G HA2 -0.343 3.618 3.960 0.001 0.000 0.248 541 G HA3 -0.343 3.618 3.960 0.001 0.000 0.248 541 G C 0.726 175.557 174.900 -0.116 0.000 0.979 541 G CA 0.417 45.431 45.100 -0.143 0.000 0.650 541 G HN 0.335 nan 8.290 nan 0.000 0.529 542 Y N 0.138 120.441 120.300 0.005 0.000 2.373 542 Y HA 0.364 4.914 4.550 0.001 0.000 0.293 542 Y C 2.036 178.018 175.900 0.135 0.000 1.129 542 Y CA 1.902 60.044 58.100 0.071 0.000 1.226 542 Y CB 0.314 38.809 38.460 0.057 0.000 1.000 542 Y HN 0.402 nan 8.280 nan 0.000 0.549 543 T N -2.487 112.196 114.554 0.215 0.000 2.648 543 T HA 0.494 4.845 4.350 0.001 0.000 0.304 543 T C -1.500 173.237 174.700 0.062 0.000 1.312 543 T CA -0.580 61.610 62.100 0.149 0.000 1.023 543 T CB 1.225 70.204 68.868 0.185 0.000 1.612 543 T HN -0.104 nan 8.240 nan 0.000 0.487 544 S N -0.297 115.430 115.700 0.045 0.000 2.595 544 S HA 0.645 5.115 4.470 0.001 0.000 0.281 544 S C -2.123 172.481 174.600 0.006 0.000 1.117 544 S CA -1.497 56.707 58.200 0.006 0.000 0.873 544 S CB 1.571 64.767 63.200 -0.006 0.000 1.108 544 S HN 0.460 nan 8.310 nan 0.000 0.477 545 P HA -0.172 nan 4.420 nan 0.000 0.216 545 P C 1.030 178.334 177.300 0.006 0.000 1.157 545 P CA 1.666 64.733 63.100 -0.055 0.000 0.880 545 P CB -0.025 31.620 31.700 -0.091 0.000 0.791 546 K N -0.157 120.253 120.400 0.017 0.000 2.362 546 K HA -0.060 4.260 4.320 0.001 0.000 0.200 546 K C 1.496 178.140 176.600 0.073 0.000 1.046 546 K CA 1.101 57.413 56.287 0.042 0.000 0.952 546 K CB -0.195 32.322 32.500 0.029 0.000 0.753 546 K HN 0.111 nan 8.250 nan 0.000 0.466 547 R N 0.412 120.962 120.500 0.084 0.000 2.397 547 R HA 0.208 4.548 4.340 0.001 0.000 0.241 547 R C -0.328 176.081 176.300 0.182 0.000 0.914 547 R CA -0.459 55.718 56.100 0.128 0.000 1.071 547 R CB 0.254 30.621 30.300 0.112 0.000 1.116 547 R HN 0.066 nan 8.270 nan 0.000 0.524 548 L N 1.351 122.669 121.223 0.159 0.000 2.276 548 L HA 0.309 4.649 4.340 0.001 0.000 0.286 548 L C -0.659 176.331 176.870 0.201 0.000 1.061 548 L CA 0.479 55.433 54.840 0.189 0.000 0.807 548 L CB 1.696 43.850 42.059 0.158 0.000 1.177 548 L HN -0.126 nan 8.230 nan 0.000 0.429 549 T N 6.613 121.262 114.554 0.158 0.000 2.829 549 T HA 0.636 4.987 4.350 0.001 0.000 0.280 549 T C -0.317 174.294 174.700 -0.148 0.000 0.999 549 T CA -0.290 61.836 62.100 0.043 0.000 0.983 549 T CB 1.014 69.915 68.868 0.055 0.000 0.968 549 T HN 0.580 nan 8.240 nan 0.000 0.446 550 I N 1.101 121.546 120.570 -0.208 0.000 2.603 550 I HA 0.711 4.881 4.170 0.001 0.000 0.300 550 I C -0.487 175.431 176.117 -0.333 0.000 1.017 550 I CA -0.798 60.339 61.300 -0.271 0.000 1.098 550 I CB 2.008 39.864 38.000 -0.240 0.000 1.279 550 I HN 0.478 nan 8.210 nan 0.000 0.437 551 N N 2.968 121.462 118.700 -0.344 0.000 2.277 551 N HA 0.751 5.491 4.740 0.001 0.000 0.286 551 N C -1.296 174.101 175.510 -0.188 0.000 1.140 551 N CA -0.391 52.508 53.050 -0.253 0.000 0.799 551 N CB 2.836 41.127 38.487 -0.327 0.000 1.596 551 N HN 1.096 nan 8.380 nan 0.000 0.473 552 G N -0.055 108.655 108.800 -0.150 0.000 2.632 552 G HA2 0.588 4.548 3.960 0.001 0.000 0.292 552 G HA3 0.588 4.548 3.960 0.001 0.000 0.292 552 G C -1.503 173.363 174.900 -0.057 0.000 1.465 552 G CA -0.597 44.367 45.100 -0.228 0.000 0.824 552 G HN 0.587 nan 8.290 nan 0.000 0.509 553 G N -0.665 108.150 108.800 0.025 0.000 2.542 553 G HA2 0.683 4.644 3.960 0.001 0.000 0.311 553 G HA3 0.683 4.644 3.960 0.001 0.000 0.311 553 G C 0.276 175.206 174.900 0.050 0.000 1.298 553 G CA 0.934 46.049 45.100 0.025 0.000 0.973 553 G HN 1.826 nan 8.290 nan 0.000 0.487 554 S N 0.867 116.564 115.700 -0.003 0.000 4.116 554 S HA -0.371 4.100 4.470 0.001 0.000 0.623 554 S C 2.030 176.564 174.600 -0.109 0.000 1.933 554 S CA 1.880 60.085 58.200 0.008 0.000 4.224 554 S CB -1.392 61.899 63.200 0.151 0.000 0.208 554 S HN 1.310 nan 8.310 nan 0.000 0.527 555 N N 1.285 119.887 118.700 -0.165 0.000 2.272 555 N HA -0.009 4.731 4.740 0.001 0.000 0.185 555 N C 1.521 176.813 175.510 -0.362 0.000 1.014 555 N CA 2.357 55.234 53.050 -0.289 0.000 0.870 555 N CB -0.866 37.350 38.487 -0.451 0.000 0.975 555 N HN 0.593 nan 8.380 nan 0.000 0.433 556 G N -1.129 107.499 108.800 -0.287 0.000 2.484 556 G HA2 -0.055 3.905 3.960 0.001 0.000 0.218 556 G HA3 -0.055 3.905 3.960 0.001 0.000 0.218 556 G C 1.401 176.153 174.900 -0.247 0.000 1.130 556 G CA 0.511 45.447 45.100 -0.273 0.000 0.784 556 G HN 0.423 nan 8.290 nan 0.000 0.543 557 G N 1.038 109.735 108.800 -0.170 0.000 2.394 557 G HA2 -0.085 3.875 3.960 0.001 0.000 0.215 557 G HA3 -0.085 3.875 3.960 0.001 0.000 0.215 557 G C 1.706 176.485 174.900 -0.201 0.000 1.165 557 G CA 0.961 45.968 45.100 -0.156 0.000 0.784 557 G HN 0.411 nan 8.290 nan 0.000 0.535 558 L N 0.384 121.479 121.223 -0.214 0.000 2.046 558 L HA 0.039 4.379 4.340 0.001 0.000 0.208 558 L C 2.501 179.249 176.870 -0.202 0.000 1.077 558 L CA 1.719 56.427 54.840 -0.220 0.000 0.747 558 L CB -0.665 41.290 42.059 -0.174 0.000 0.896 558 L HN 0.182 nan 8.230 nan 0.000 0.432 559 L N -0.323 120.793 121.223 -0.178 0.000 1.971 559 L HA -0.181 4.159 4.340 0.001 0.000 0.215 559 L C 2.587 179.290 176.870 -0.277 0.000 1.072 559 L CA 2.533 57.269 54.840 -0.175 0.000 0.758 559 L CB -0.924 40.885 42.059 -0.417 0.000 0.889 559 L HN 0.353 nan 8.230 nan 0.000 0.433 560 V N -2.503 117.226 119.914 -0.307 0.000 2.548 560 V HA -0.031 4.090 4.120 0.001 0.000 0.249 560 V C 2.444 178.419 176.094 -0.198 0.000 1.055 560 V CA 1.325 63.471 62.300 -0.257 0.000 1.065 560 V CB -1.699 29.980 31.823 -0.240 0.000 0.681 560 V HN 0.475 nan 8.190 nan 0.000 0.462 561 A N 0.912 123.626 122.820 -0.177 0.000 1.930 561 A HA -0.111 4.210 4.320 0.001 0.000 0.217 561 A C 2.336 179.845 177.584 -0.126 0.000 1.175 561 A CA 2.436 54.416 52.037 -0.094 0.000 0.627 561 A CB -1.215 17.605 19.000 -0.300 0.000 0.815 561 A HN 0.557 nan 8.150 nan 0.000 0.443 562 T N -0.846 113.531 114.554 -0.296 0.000 2.777 562 T HA -0.154 4.196 4.350 0.001 0.000 0.266 562 T C 1.870 176.406 174.700 -0.274 0.000 1.040 562 T CA 1.510 63.367 62.100 -0.405 0.000 1.141 562 T CB -0.616 67.657 68.868 -0.992 0.000 0.868 562 T HN 0.561 nan 8.240 nan 0.000 0.444 563 C N 1.716 120.892 119.300 -0.206 0.000 2.435 563 C HA 0.144 4.605 4.460 0.001 0.000 0.279 563 C C 3.191 178.203 174.990 0.037 0.000 1.321 563 C CA 0.206 59.216 59.018 -0.015 0.000 1.752 563 C CB -1.429 26.342 27.740 0.051 0.000 1.959 563 C HN 0.648 nan 8.230 nan 0.000 0.500 564 A N 1.279 124.051 122.820 -0.080 0.000 1.898 564 A HA -0.154 4.167 4.320 0.001 0.000 0.216 564 A C 1.951 179.396 177.584 -0.231 0.000 1.181 564 A CA 1.744 53.727 52.037 -0.090 0.000 0.620 564 A CB -0.492 18.490 19.000 -0.031 0.000 0.819 564 A HN 0.622 nan 8.150 nan 0.000 0.442 565 N N -0.128 118.524 118.700 -0.081 0.000 2.171 565 N HA -0.119 4.622 4.740 0.001 0.000 0.184 565 N C 1.933 177.418 175.510 -0.043 0.000 1.021 565 N CA 1.555 54.590 53.050 -0.024 0.000 0.854 565 N CB -0.388 38.163 38.487 0.107 0.000 0.994 565 N HN 0.671 nan 8.380 nan 0.000 0.426 566 Q N -0.320 119.464 119.800 -0.027 0.000 2.137 566 Q HA 0.112 4.453 4.340 0.001 0.000 0.198 566 Q C 0.152 176.159 176.000 0.012 0.000 0.960 566 Q CA 0.810 56.615 55.803 0.004 0.000 0.847 566 Q CB 0.419 29.161 28.738 0.007 0.000 0.915 566 Q HN 0.050 nan 8.270 nan 0.000 0.448 567 R N 0.466 120.991 120.500 0.042 0.000 2.738 567 R HA 0.184 4.525 4.340 0.001 0.000 0.280 567 R C -2.169 174.132 176.300 0.002 0.000 1.456 567 R CA -1.555 54.552 56.100 0.012 0.000 1.612 567 R CB 0.634 30.938 30.300 0.008 0.000 1.286 567 R HN 0.139 nan 8.270 nan 0.000 0.660 568 P HA -0.170 nan 4.420 nan 0.000 0.221 568 P C 0.593 177.856 177.300 -0.062 0.000 1.145 568 P CA 1.179 64.202 63.100 -0.128 0.000 0.795 568 P CB 0.284 31.762 31.700 -0.370 0.000 0.775 569 D N -0.604 119.737 120.400 -0.098 0.000 2.348 569 D HA -0.099 4.541 4.640 0.001 0.000 0.216 569 D C 1.694 177.872 176.300 -0.204 0.000 0.970 569 D CA 0.348 54.283 54.000 -0.108 0.000 0.889 569 D CB -0.598 40.150 40.800 -0.087 0.000 0.912 569 D HN 0.147 nan 8.370 nan 0.000 0.524 570 L N -0.814 120.163 121.223 -0.410 0.000 2.529 570 L HA 0.282 4.622 4.340 0.001 0.000 0.223 570 L C -0.459 175.877 176.870 -0.890 0.000 1.113 570 L CA 0.338 54.732 54.840 -0.743 0.000 0.861 570 L CB -0.019 41.378 42.059 -1.103 0.000 1.012 570 L HN -0.186 nan 8.230 nan 0.000 0.461 571 F N -2.501 117.428 119.950 -0.034 0.000 2.563 571 F HA 0.590 5.117 4.527 0.001 0.000 0.316 571 F C 1.232 177.036 175.800 0.006 0.000 1.076 571 F CA -0.599 57.391 58.000 -0.017 0.000 0.921 571 F CB 1.264 40.252 39.000 -0.020 0.000 1.209 571 F HN -0.295 nan 8.300 nan 0.000 0.462 572 G N -0.607 108.326 108.800 0.222 0.000 2.608 572 G HA2 0.174 4.134 3.960 0.001 0.000 0.210 572 G HA3 0.174 4.134 3.960 0.001 0.000 0.210 572 G C -0.521 174.470 174.900 0.152 0.000 1.139 572 G CA 0.290 45.479 45.100 0.148 0.000 0.812 572 G HN 0.641 nan 8.290 nan 0.000 0.529 573 C N 0.159 119.560 119.300 0.169 0.000 2.880 573 C HA 0.716 5.176 4.460 0.001 0.000 0.320 573 C C -1.286 173.773 174.990 0.114 0.000 1.176 573 C CA -0.627 58.489 59.018 0.163 0.000 1.390 573 C CB 1.109 28.936 27.740 0.146 0.000 1.846 573 C HN 0.092 nan 8.230 nan 0.000 0.478 574 V N 6.386 126.378 119.914 0.131 0.000 2.531 574 V HA 0.563 4.683 4.120 0.001 0.000 0.301 574 V C -0.487 175.621 176.094 0.024 0.000 1.034 574 V CA -0.285 62.017 62.300 0.005 0.000 0.865 574 V CB 1.724 33.532 31.823 -0.026 0.000 0.995 574 V HN 0.740 nan 8.190 nan 0.000 0.424 575 I N 4.067 124.605 120.570 -0.054 0.000 2.411 575 I HA 0.711 4.881 4.170 0.001 0.000 0.284 575 I C 0.135 176.204 176.117 -0.081 0.000 1.012 575 I CA -0.517 60.737 61.300 -0.076 0.000 1.119 575 I CB 1.811 39.769 38.000 -0.071 0.000 1.261 575 I HN 0.684 nan 8.210 nan 0.000 0.448 576 A N 6.490 129.271 122.820 -0.065 0.000 2.287 576 A HA 0.664 4.985 4.320 0.001 0.000 0.317 576 A C -0.615 176.947 177.584 -0.037 0.000 1.220 576 A CA -0.486 51.520 52.037 -0.051 0.000 0.835 576 A CB 0.805 19.793 19.000 -0.019 0.000 1.180 576 A HN 0.713 nan 8.150 nan 0.000 0.500 577 Q N 1.256 121.036 119.800 -0.034 0.000 2.293 577 Q HA 0.458 4.798 4.340 0.001 0.000 0.261 577 Q C 0.383 176.366 176.000 -0.029 0.000 0.960 577 Q CA -0.528 55.260 55.803 -0.025 0.000 0.882 577 Q CB 2.240 30.965 28.738 -0.021 0.000 1.275 577 Q HN 1.527 nan 8.270 nan 0.000 0.445 578 V N -0.122 119.789 119.914 -0.004 0.000 5.404 578 V HA -0.245 3.875 4.120 0.001 0.000 0.249 578 V C 0.255 176.369 176.094 0.033 0.000 0.682 578 V CA 0.923 63.247 62.300 0.040 0.000 0.608 578 V CB -2.308 29.538 31.823 0.039 0.000 0.311 578 V HN 0.823 nan 8.190 nan 0.000 0.680 579 G N -0.043 108.750 108.800 -0.012 0.000 2.448 579 G HA2 0.566 4.526 3.960 0.001 0.000 0.285 579 G HA3 0.566 4.526 3.960 0.001 0.000 0.285 579 G C -0.309 174.493 174.900 -0.164 0.000 1.176 579 G CA -0.304 44.743 45.100 -0.089 0.000 0.852 579 G HN 1.137 nan 8.290 nan 0.000 0.530 580 V N 3.237 122.980 119.914 -0.285 0.000 2.408 580 V HA 0.146 4.266 4.120 0.001 0.000 0.267 580 V C 0.536 176.420 176.094 -0.350 0.000 1.047 580 V CA -0.228 61.779 62.300 -0.490 0.000 0.937 580 V CB 1.230 32.792 31.823 -0.435 0.000 0.999 580 V HN 0.720 nan 8.190 nan 0.000 0.472 581 M N 1.388 120.863 119.600 -0.208 0.000 2.470 581 M HA 0.287 4.768 4.480 0.001 0.000 0.262 581 M C 0.474 176.775 176.300 0.002 0.000 1.211 581 M CA 0.285 55.460 55.300 -0.208 0.000 1.125 581 M CB -0.059 32.336 32.600 -0.342 0.000 1.480 581 M HN 0.568 nan 8.290 nan 0.000 0.541 582 D N 1.750 122.379 120.400 0.382 0.000 2.485 582 D HA 0.239 4.880 4.640 0.001 0.000 0.221 582 D C 0.746 177.306 176.300 0.434 0.000 1.112 582 D CA -0.031 54.181 54.000 0.354 0.000 0.911 582 D CB 0.848 41.835 40.800 0.312 0.000 1.019 582 D HN -0.054 nan 8.370 nan 0.000 0.516 583 M N 2.986 122.753 119.600 0.277 0.000 2.630 583 M HA 0.015 4.496 4.480 0.001 0.000 0.254 583 M C 1.448 177.975 176.300 0.380 0.000 1.092 583 M CA 0.500 55.986 55.300 0.310 0.000 1.087 583 M CB -0.215 32.350 32.600 -0.059 0.000 1.453 583 M HN 0.464 nan 8.290 nan 0.000 0.509 584 L N -0.909 120.461 121.223 0.244 0.000 2.416 584 L HA -0.037 4.303 4.340 0.001 0.000 0.216 584 L C 1.608 178.625 176.870 0.245 0.000 1.098 584 L CA 0.663 55.584 54.840 0.134 0.000 0.840 584 L CB -0.142 41.813 42.059 -0.173 0.000 0.981 584 L HN 0.238 nan 8.230 nan 0.000 0.462 585 K N -0.422 120.112 120.400 0.223 0.000 2.438 585 K HA 0.112 4.433 4.320 0.001 0.000 0.206 585 K C 1.525 178.060 176.600 -0.108 0.000 1.081 585 K CA -0.084 56.192 56.287 -0.018 0.000 1.053 585 K CB 0.440 33.009 32.500 0.116 0.000 0.908 585 K HN 0.095 nan 8.250 nan 0.000 0.556 586 F N 1.917 122.066 119.950 0.332 0.000 2.192 586 F HA -0.241 4.286 4.527 0.001 0.000 0.301 586 F C 2.091 177.985 175.800 0.158 0.000 1.079 586 F CA 1.383 59.660 58.000 0.462 0.000 1.303 586 F CB -0.927 38.398 39.000 0.541 0.000 1.024 586 F HN 0.137 nan 8.300 nan 0.000 0.494 587 H N 0.480 119.056 119.070 -0.822 0.000 2.546 587 H HA 0.098 4.655 4.556 0.001 0.000 0.277 587 H C 1.154 176.275 175.328 -0.344 0.000 1.004 587 H CA 1.083 56.809 56.048 -0.536 0.000 1.231 587 H CB -0.659 28.730 29.762 -0.622 0.000 1.382 587 H HN 0.417 nan 8.280 nan 0.000 0.580 588 K N 0.178 119.989 120.400 -0.983 0.000 2.365 588 K HA 0.056 4.376 4.320 0.001 0.000 0.197 588 K C -0.419 175.711 176.600 -0.784 0.000 1.042 588 K CA 0.313 56.035 56.287 -0.943 0.000 0.987 588 K CB 0.251 31.988 32.500 -1.272 0.000 0.779 588 K HN 0.219 nan 8.250 nan 0.000 0.484 589 Y N 0.569 120.799 120.300 -0.117 0.000 2.446 589 Y HA 0.076 4.626 4.550 0.001 0.000 0.338 589 Y C 1.516 177.367 175.900 -0.082 0.000 1.055 589 Y CA -1.037 57.029 58.100 -0.057 0.000 1.101 589 Y CB 1.032 39.488 38.460 -0.006 0.000 1.221 589 Y HN 0.152 nan 8.280 nan 0.000 0.460 590 T N -0.424 114.203 114.554 0.122 0.000 8.188 590 T HA -0.409 3.942 4.350 0.001 0.000 0.253 590 T C 0.893 175.531 174.700 -0.103 0.000 1.618 590 T CA 1.956 64.070 62.100 0.023 0.000 1.500 590 T CB -1.127 67.768 68.868 0.045 0.000 1.763 590 T HN 0.623 nan 8.240 nan 0.000 0.450 591 I N 2.536 122.971 120.570 -0.225 0.000 3.861 591 I HA 0.475 4.645 4.170 0.001 0.000 0.329 591 I C 2.203 177.689 176.117 -1.052 0.000 1.321 591 I CA 0.598 61.569 61.300 -0.549 0.000 1.126 591 I CB -0.644 37.113 38.000 -0.405 0.000 1.018 591 I HN 0.744 nan 8.210 nan 0.000 0.407 592 G N 0.453 108.657 108.800 -0.993 0.000 2.475 592 G HA2 -0.362 3.598 3.960 0.001 0.000 0.220 592 G HA3 -0.362 3.598 3.960 0.001 0.000 0.220 592 G C 1.442 175.931 174.900 -0.685 0.000 1.125 592 G CA 1.391 45.685 45.100 -1.343 0.000 0.755 592 G HN 0.702 nan 8.290 nan 0.000 0.565 593 H N -0.134 118.747 119.070 -0.316 0.000 2.457 593 H HA 0.268 4.825 4.556 0.001 0.000 0.297 593 H C 2.357 177.649 175.328 -0.060 0.000 1.092 593 H CA 1.159 57.147 56.048 -0.100 0.000 1.309 593 H CB -0.623 29.094 29.762 -0.076 0.000 1.382 593 H HN 0.293 nan 8.280 nan 0.000 0.535 594 A N 0.722 123.269 122.820 -0.455 0.000 2.067 594 A HA -0.071 4.249 4.320 0.001 0.000 0.219 594 A C 1.160 178.842 177.584 0.162 0.000 1.158 594 A CA 0.931 52.876 52.037 -0.153 0.000 0.661 594 A CB -0.736 18.070 19.000 -0.323 0.000 0.801 594 A HN 0.608 nan 8.150 nan 0.000 0.452 595 W N 0.691 122.122 121.300 0.217 0.000 3.256 595 W HA 0.094 4.754 4.660 0.001 0.000 0.269 595 W C 1.875 178.558 176.519 0.274 0.000 1.310 595 W CA 0.798 58.295 57.345 0.254 0.000 1.673 595 W CB -1.739 27.836 29.460 0.191 0.000 1.115 595 W HN 0.516 nan 8.180 nan 0.000 0.686 596 T N -2.491 112.390 114.554 0.546 0.000 3.007 596 T HA -0.174 4.177 4.350 0.001 0.000 0.270 596 T C 1.728 176.582 174.700 0.257 0.000 1.107 596 T CA 1.837 64.229 62.100 0.487 0.000 1.118 596 T CB -0.678 68.414 68.868 0.372 0.000 0.889 596 T HN 0.141 nan 8.240 nan 0.000 0.506 597 T N -1.012 113.643 114.554 0.169 0.000 2.962 597 T HA -0.021 4.330 4.350 0.001 0.000 0.270 597 T C 1.387 176.040 174.700 -0.078 0.000 1.088 597 T CA 1.245 63.380 62.100 0.058 0.000 1.127 597 T CB -0.314 68.588 68.868 0.056 0.000 0.883 597 T HN 0.329 nan 8.240 nan 0.000 0.493 598 D N -0.466 119.810 120.400 -0.208 0.000 2.394 598 D HA 0.178 4.818 4.640 0.001 0.000 0.226 598 D C 1.138 177.238 176.300 -0.334 0.000 0.990 598 D CA 0.407 54.086 54.000 -0.536 0.000 0.902 598 D CB 0.160 40.154 40.800 -1.342 0.000 1.038 598 D HN 0.405 nan 8.370 nan 0.000 0.499 599 Y N -0.105 120.191 120.300 -0.007 0.000 2.522 599 Y HA 0.428 4.978 4.550 0.001 0.000 0.277 599 Y C 1.501 177.552 175.900 0.253 0.000 1.104 599 Y CA 0.450 58.610 58.100 0.101 0.000 1.260 599 Y CB 0.140 38.636 38.460 0.060 0.000 1.151 599 Y HN -0.029 nan 8.280 nan 0.000 0.539 600 G N -0.510 108.531 108.800 0.401 0.000 2.610 600 G HA2 -0.098 3.862 3.960 0.001 0.000 0.304 600 G HA3 -0.098 3.862 3.960 0.001 0.000 0.304 600 G C -1.287 173.905 174.900 0.487 0.000 1.309 600 G CA -0.986 44.257 45.100 0.237 0.000 0.906 600 G HN 0.444 nan 8.290 nan 0.000 0.521 601 C N -0.099 119.487 119.300 0.476 0.000 2.686 601 C HA 0.739 5.200 4.460 0.001 0.000 0.318 601 C C 1.927 176.968 174.990 0.085 0.000 1.160 601 C CA 0.742 59.839 59.018 0.131 0.000 1.396 601 C CB 0.854 28.557 27.740 -0.062 0.000 1.924 601 C HN 2.125 nan 8.230 nan 0.000 0.471 602 S N 1.897 117.616 115.700 0.031 0.000 2.500 602 S HA -0.139 4.332 4.470 0.001 0.000 0.239 602 S C 0.911 175.672 174.600 0.269 0.000 0.989 602 S CA 1.717 60.051 58.200 0.223 0.000 0.951 602 S CB -0.265 63.120 63.200 0.308 0.000 0.759 602 S HN 0.869 nan 8.310 nan 0.000 0.523 603 D N 1.881 122.310 120.400 0.048 0.000 2.218 603 D HA 0.011 4.651 4.640 0.001 0.000 0.204 603 D C 0.961 177.326 176.300 0.108 0.000 0.976 603 D CA 0.916 54.947 54.000 0.052 0.000 0.853 603 D CB -0.241 40.514 40.800 -0.075 0.000 0.939 603 D HN 0.534 nan 8.370 nan 0.000 0.481 604 S N 0.366 116.025 115.700 -0.069 0.000 2.499 604 S HA 0.122 4.592 4.470 0.001 0.000 0.279 604 S C 1.051 175.353 174.600 -0.497 0.000 1.219 604 S CA -0.754 57.257 58.200 -0.315 0.000 1.062 604 S CB 1.862 64.627 63.200 -0.725 0.000 0.978 604 S HN -0.196 nan 8.310 nan 0.000 0.489 605 K N 3.197 123.145 120.400 -0.753 0.000 2.063 605 K HA -0.163 4.158 4.320 0.001 0.000 0.208 605 K C 1.943 178.265 176.600 -0.464 0.000 1.048 605 K CA 1.868 57.598 56.287 -0.928 0.000 0.928 605 K CB -0.542 31.624 32.500 -0.557 0.000 0.713 605 K HN 0.912 nan 8.250 nan 0.000 0.442 606 Q N -0.323 119.214 119.800 -0.439 0.000 2.050 606 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 606 Q C 1.972 177.468 176.000 -0.841 0.000 0.980 606 Q CA 1.595 57.118 55.803 -0.466 0.000 0.840 606 Q CB -0.116 28.417 28.738 -0.341 0.000 0.898 606 Q HN 0.607 nan 8.270 nan 0.000 0.424 607 H N -1.164 117.334 119.070 -0.954 0.000 2.357 607 H HA -0.133 4.424 4.556 0.001 0.000 0.301 607 H C 1.962 176.991 175.328 -0.497 0.000 1.082 607 H CA 0.868 56.295 56.048 -1.034 0.000 1.342 607 H CB -0.154 29.338 29.762 -0.450 0.000 1.389 607 H HN 0.311 nan 8.280 nan 0.000 0.511 608 F N 2.611 122.391 119.950 -0.283 0.000 2.120 608 F HA -0.217 4.310 4.527 0.001 0.000 0.300 608 F C 2.196 177.872 175.800 -0.207 0.000 1.095 608 F CA 1.278 59.163 58.000 -0.192 0.000 1.249 608 F CB -0.087 38.851 39.000 -0.104 0.000 0.995 608 F HN 0.013 nan 8.300 nan 0.000 0.480 609 E N -0.142 119.858 120.200 -0.333 0.000 2.160 609 E HA -0.227 4.123 4.350 0.001 0.000 0.195 609 E C 2.130 178.634 176.600 -0.160 0.000 0.991 609 E CA 1.417 57.641 56.400 -0.294 0.000 0.810 609 E CB -0.636 28.984 29.700 -0.133 0.000 0.742 609 E HN 0.574 nan 8.360 nan 0.000 0.466 610 W N 0.713 121.942 121.300 -0.118 0.000 2.444 610 W HA 0.056 4.717 4.660 0.001 0.000 0.308 610 W C 2.311 178.739 176.519 -0.153 0.000 1.183 610 W CA 0.095 57.417 57.345 -0.038 0.000 1.340 610 W CB -1.297 28.195 29.460 0.054 0.000 1.138 610 W HN 0.036 nan 8.180 nan 0.000 0.510 611 L N 0.022 121.210 121.223 -0.058 0.000 2.012 611 L HA -0.239 4.101 4.340 0.001 0.000 0.210 611 L C 2.402 178.882 176.870 -0.649 0.000 1.073 611 L CA 1.175 55.738 54.840 -0.462 0.000 0.748 611 L CB -1.153 40.744 42.059 -0.269 0.000 0.891 611 L HN -0.144 nan 8.230 nan 0.000 0.431 612 I N 0.026 120.172 120.570 -0.707 0.000 2.454 612 I HA -0.260 3.910 4.170 0.001 0.000 0.254 612 I C 2.282 178.187 176.117 -0.353 0.000 1.156 612 I CA 1.573 62.461 61.300 -0.686 0.000 1.433 612 I CB -0.327 37.008 38.000 -1.108 0.000 1.082 612 I HN 0.125 nan 8.210 nan 0.000 0.432 613 K N -0.813 119.449 120.400 -0.229 0.000 2.288 613 K HA -0.122 4.198 4.320 0.001 0.000 0.201 613 K C 1.281 177.916 176.600 0.058 0.000 1.048 613 K CA 1.605 57.874 56.287 -0.030 0.000 0.956 613 K CB -0.082 32.464 32.500 0.078 0.000 0.746 613 K HN 0.638 nan 8.250 nan 0.000 0.461 614 Y N -2.644 117.639 120.300 -0.028 0.000 2.448 614 Y HA 0.319 4.869 4.550 0.001 0.000 0.257 614 Y C 0.447 176.281 175.900 -0.110 0.000 1.089 614 Y CA -0.819 57.237 58.100 -0.073 0.000 1.245 614 Y CB -0.044 38.405 38.460 -0.019 0.000 1.282 614 Y HN -0.253 nan 8.280 nan 0.000 0.529 615 S N 4.018 119.488 115.700 -0.383 0.000 2.737 615 S HA 0.018 4.489 4.470 0.001 0.000 0.315 615 S C -1.437 173.125 174.600 -0.063 0.000 1.236 615 S CA -0.623 57.463 58.200 -0.191 0.000 1.093 615 S CB 0.517 63.704 63.200 -0.021 0.000 0.832 615 S HN 0.252 nan 8.310 nan 0.000 0.507 616 P HA -0.127 nan 4.420 nan 0.000 0.216 616 P C 1.549 178.798 177.300 -0.085 0.000 1.153 616 P CA 0.519 63.481 63.100 -0.229 0.000 0.858 616 P CB 0.051 31.345 31.700 -0.677 0.000 0.789 617 L N -1.223 119.888 121.223 -0.187 0.000 2.261 617 L HA -0.157 4.183 4.340 0.001 0.000 0.216 617 L C 1.167 177.825 176.870 -0.353 0.000 1.114 617 L CA 2.051 56.787 54.840 -0.173 0.000 0.777 617 L CB -1.190 40.657 42.059 -0.354 0.000 0.910 617 L HN 0.113 nan 8.230 nan 0.000 0.440 618 H N -1.909 117.194 119.070 0.056 0.000 2.542 618 H HA 0.346 4.902 4.556 0.001 0.000 0.283 618 H C 0.496 175.857 175.328 0.054 0.000 1.059 618 H CA 0.058 56.132 56.048 0.043 0.000 1.162 618 H CB 0.058 29.801 29.762 -0.031 0.000 1.539 618 H HN 0.262 nan 8.280 nan 0.000 0.543 619 N N 0.528 119.308 118.700 0.134 0.000 2.305 619 N HA 0.084 4.824 4.740 0.001 0.000 0.248 619 N C -0.790 174.828 175.510 0.180 0.000 1.290 619 N CA 0.128 53.260 53.050 0.136 0.000 0.873 619 N CB 1.944 40.489 38.487 0.095 0.000 1.261 619 N HN -0.014 nan 8.380 nan 0.000 0.504 620 V N 1.624 121.650 119.914 0.186 0.000 2.470 620 V HA 0.208 4.328 4.120 0.001 0.000 0.276 620 V C 0.370 176.540 176.094 0.126 0.000 1.040 620 V CA 0.276 62.686 62.300 0.182 0.000 1.008 620 V CB 0.852 32.719 31.823 0.075 0.000 0.990 620 V HN 0.091 nan 8.190 nan 0.000 0.477 621 K N 4.559 125.062 120.400 0.172 0.000 2.543 621 K HA 0.490 4.811 4.320 0.001 0.000 0.255 621 K C -1.113 175.579 176.600 0.154 0.000 0.934 621 K CA -0.866 55.497 56.287 0.126 0.000 0.810 621 K CB 1.786 34.367 32.500 0.136 0.000 1.315 621 K HN 0.530 nan 8.250 nan 0.000 0.433 622 L N 4.763 126.026 121.223 0.066 0.000 2.499 622 L HA 0.146 4.486 4.340 0.001 0.000 0.273 622 L C -1.965 174.985 176.870 0.133 0.000 1.195 622 L CA -1.524 53.359 54.840 0.072 0.000 0.882 622 L CB 0.176 42.247 42.059 0.019 0.000 1.133 622 L HN 0.485 nan 8.230 nan 0.000 0.483 623 P HA 0.017 nan 4.420 nan 0.000 0.266 623 P C 0.219 177.567 177.300 0.080 0.000 1.195 623 P CA -0.081 63.098 63.100 0.132 0.000 0.768 623 P CB 0.639 32.419 31.700 0.134 0.000 0.838 624 E N 1.871 122.108 120.200 0.061 0.000 2.031 624 E HA -0.092 4.258 4.350 0.001 0.000 0.193 624 E C 0.657 177.278 176.600 0.035 0.000 0.994 624 E CA 0.725 57.151 56.400 0.043 0.000 0.800 624 E CB -0.210 29.512 29.700 0.037 0.000 0.752 624 E HN 0.544 nan 8.360 nan 0.000 0.447 625 A N 2.090 124.928 122.820 0.032 0.000 2.520 625 A HA -0.056 4.264 4.320 0.001 0.000 0.245 625 A C 0.446 178.046 177.584 0.027 0.000 1.072 625 A CA -0.144 51.908 52.037 0.024 0.000 0.761 625 A CB 0.239 19.250 19.000 0.018 0.000 1.004 625 A HN 0.070 nan 8.150 nan 0.000 0.499 626 D N 1.331 121.743 120.400 0.020 0.000 2.263 626 D HA -0.146 4.495 4.640 0.001 0.000 0.208 626 D C 0.992 177.304 176.300 0.020 0.000 0.971 626 D CA 1.648 55.660 54.000 0.019 0.000 0.867 626 D CB 0.045 40.853 40.800 0.013 0.000 0.929 626 D HN 0.823 nan 8.370 nan 0.000 0.492 627 D N 0.036 120.447 120.400 0.018 0.000 2.339 627 D HA -0.027 4.613 4.640 0.001 0.000 0.217 627 D C 0.627 176.940 176.300 0.023 0.000 1.050 627 D CA -0.050 53.960 54.000 0.017 0.000 0.856 627 D CB 0.455 41.261 40.800 0.010 0.000 0.922 627 D HN 0.203 nan 8.370 nan 0.000 0.518 628 I N 1.415 122.004 120.570 0.032 0.000 2.433 628 I HA 0.237 4.407 4.170 0.001 0.000 0.292 628 I C 0.017 176.178 176.117 0.074 0.000 1.001 628 I CA -0.842 60.483 61.300 0.041 0.000 1.119 628 I CB 1.881 39.900 38.000 0.032 0.000 1.289 628 I HN -0.046 nan 8.210 nan 0.000 0.438 629 Q N 4.239 124.095 119.800 0.094 0.000 2.633 629 Q HA 0.516 4.856 4.340 0.001 0.000 0.292 629 Q C -1.511 174.625 176.000 0.226 0.000 1.089 629 Q CA -0.951 54.945 55.803 0.155 0.000 0.811 629 Q CB 1.564 30.371 28.738 0.115 0.000 1.472 629 Q HN 0.359 nan 8.270 nan 0.000 0.464 630 Y N 0.504 120.830 120.300 0.043 0.000 2.314 630 Y HA 0.332 4.882 4.550 0.001 0.000 0.334 630 Y C -2.024 173.922 175.900 0.077 0.000 1.266 630 Y CA -1.845 56.290 58.100 0.059 0.000 1.391 630 Y CB 0.485 38.967 38.460 0.036 0.000 1.306 630 Y HN 0.531 nan 8.280 nan 0.000 0.558 631 P HA 0.096 nan 4.420 nan 0.000 0.273 631 P C -0.836 176.585 177.300 0.201 0.000 1.250 631 P CA -0.287 62.917 63.100 0.173 0.000 0.793 631 P CB 0.523 32.328 31.700 0.173 0.000 1.011 632 S N 0.838 116.648 115.700 0.184 0.000 2.549 632 S HA 0.301 4.771 4.470 0.001 0.000 0.283 632 S C 0.135 174.946 174.600 0.351 0.000 1.320 632 S CA 0.170 58.512 58.200 0.236 0.000 1.058 632 S CB -0.490 62.767 63.200 0.095 0.000 0.882 632 S HN 0.274 nan 8.310 nan 0.000 0.498 633 M N 3.095 122.905 119.600 0.350 0.000 2.464 633 M HA 0.533 5.014 4.480 0.001 0.000 0.308 633 M C -1.411 174.858 176.300 -0.052 0.000 1.127 633 M CA -0.771 54.640 55.300 0.184 0.000 0.913 633 M CB 1.946 34.599 32.600 0.089 0.000 1.689 633 M HN 0.430 nan 8.290 nan 0.000 0.445 634 L N 4.229 125.281 121.223 -0.285 0.000 2.404 634 L HA 0.637 4.977 4.340 0.001 0.000 0.272 634 L C -1.862 174.853 176.870 -0.259 0.000 0.980 634 L CA -0.235 54.267 54.840 -0.563 0.000 0.836 634 L CB 1.507 42.829 42.059 -1.228 0.000 1.238 634 L HN 0.669 nan 8.230 nan 0.000 0.408 635 L N 5.941 127.068 121.223 -0.161 0.000 2.309 635 L HA 0.575 4.915 4.340 0.001 0.000 0.282 635 L C -0.824 176.016 176.870 -0.049 0.000 1.036 635 L CA -0.672 54.134 54.840 -0.056 0.000 0.806 635 L CB 1.582 43.652 42.059 0.018 0.000 1.220 635 L HN 0.523 nan 8.230 nan 0.000 0.429 636 L N 2.614 123.823 121.223 -0.023 0.000 2.362 636 L HA 0.709 5.050 4.340 0.001 0.000 0.275 636 L C -0.080 176.801 176.870 0.019 0.000 0.998 636 L CA -0.097 54.749 54.840 0.009 0.000 0.820 636 L CB 2.126 44.189 42.059 0.007 0.000 1.270 636 L HN 0.630 nan 8.230 nan 0.000 0.415 637 T N 1.451 116.015 114.554 0.018 0.000 2.647 637 T HA 0.906 5.257 4.350 0.001 0.000 0.295 637 T C -1.853 172.855 174.700 0.012 0.000 1.126 637 T CA -0.087 62.029 62.100 0.028 0.000 1.040 637 T CB 2.033 70.925 68.868 0.041 0.000 1.472 637 T HN 0.755 nan 8.240 nan 0.000 0.500 638 A N 0.574 123.416 122.820 0.035 0.000 2.606 638 A HA 0.607 4.928 4.320 0.001 0.000 0.293 638 A C 0.422 178.035 177.584 0.050 0.000 1.082 638 A CA 0.119 52.179 52.037 0.038 0.000 0.685 638 A CB 1.127 20.174 19.000 0.079 0.000 1.284 638 A HN 0.862 nan 8.150 nan 0.000 0.408 639 D N -0.025 120.402 120.400 0.045 0.000 2.218 639 D HA -0.185 4.456 4.640 0.001 0.000 0.204 639 D C 0.586 176.827 176.300 -0.099 0.000 0.976 639 D CA 1.893 55.880 54.000 -0.023 0.000 0.853 639 D CB -0.248 40.533 40.800 -0.033 0.000 0.939 639 D HN 0.655 nan 8.370 nan 0.000 0.481 640 H N -0.152 118.953 119.070 0.058 0.000 2.486 640 H HA 0.500 5.057 4.556 0.001 0.000 0.284 640 H C 0.025 175.410 175.328 0.094 0.000 1.103 640 H CA -0.074 56.022 56.048 0.079 0.000 1.089 640 H CB 0.552 30.363 29.762 0.081 0.000 1.603 640 H HN 0.147 nan 8.280 nan 0.000 0.557 641 A N 2.206 125.127 122.820 0.169 0.000 2.981 641 A HA 0.005 4.326 4.320 0.001 0.000 0.280 641 A C 0.835 178.515 177.584 0.159 0.000 1.743 641 A CA -0.407 51.739 52.037 0.182 0.000 1.430 641 A CB -0.493 18.610 19.000 0.172 0.000 1.085 641 A HN 0.328 nan 8.150 nan 0.000 0.597 642 D N 0.705 121.192 120.400 0.145 0.000 2.340 642 D HA -0.056 4.584 4.640 0.001 0.000 0.220 642 D C 1.354 177.714 176.300 0.099 0.000 1.039 642 D CA 0.085 54.151 54.000 0.110 0.000 0.866 642 D CB 0.091 40.948 40.800 0.094 0.000 0.913 642 D HN 0.442 nan 8.370 nan 0.000 0.523 643 R N 0.504 121.049 120.500 0.074 0.000 2.052 643 R HA 0.146 4.486 4.340 0.001 0.000 0.224 643 R C 0.013 176.449 176.300 0.225 0.000 1.149 643 R CA 0.899 57.011 56.100 0.020 0.000 0.962 643 R CB -0.123 29.882 30.300 -0.492 0.000 0.856 643 R HN 0.030 nan 8.270 nan 0.000 0.433 644 V N 3.303 123.330 119.914 0.190 0.000 2.304 644 V HA 0.271 4.391 4.120 0.001 0.000 0.278 644 V C -0.423 175.855 176.094 0.306 0.000 1.018 644 V CA -1.038 61.472 62.300 0.350 0.000 0.814 644 V CB 1.180 33.118 31.823 0.193 0.000 1.021 644 V HN 0.249 nan 8.190 nan 0.000 0.440 645 V N 4.075 124.182 119.914 0.323 0.000 2.788 645 V HA 0.162 4.282 4.120 0.001 0.000 0.307 645 V C -1.352 174.827 176.094 0.140 0.000 1.069 645 V CA -0.577 61.818 62.300 0.159 0.000 1.173 645 V CB 0.293 32.109 31.823 -0.012 0.000 0.925 645 V HN 0.612 nan 8.190 nan 0.000 0.492 646 P HA -0.112 nan 4.420 nan 0.000 0.219 646 P C 1.666 178.947 177.300 -0.031 0.000 1.146 646 P CA 1.449 64.567 63.100 0.030 0.000 0.808 646 P CB -0.142 31.560 31.700 0.004 0.000 0.779 647 L N -3.009 118.121 121.223 -0.155 0.000 2.129 647 L HA -0.225 4.115 4.340 0.001 0.000 0.212 647 L C 2.233 178.966 176.870 -0.228 0.000 1.087 647 L CA 2.039 56.719 54.840 -0.268 0.000 0.757 647 L CB -2.076 39.724 42.059 -0.432 0.000 0.896 647 L HN 0.083 nan 8.230 nan 0.000 0.434 648 H N 0.291 119.322 119.070 -0.065 0.000 2.290 648 H HA -0.094 4.462 4.556 0.001 0.000 0.298 648 H C 2.433 177.765 175.328 0.007 0.000 1.087 648 H CA 1.919 57.958 56.048 -0.014 0.000 1.291 648 H CB -0.211 29.565 29.762 0.023 0.000 1.369 648 H HN 0.500 nan 8.280 nan 0.000 0.492 649 S N 0.530 116.321 115.700 0.152 0.000 2.387 649 S HA -0.036 4.435 4.470 0.001 0.000 0.226 649 S C 2.522 177.181 174.600 0.100 0.000 1.026 649 S CA 0.401 58.690 58.200 0.148 0.000 0.972 649 S CB -0.133 63.133 63.200 0.111 0.000 0.814 649 S HN 0.220 nan 8.310 nan 0.000 0.477 650 L N 1.325 122.552 121.223 0.007 0.000 2.017 650 L HA -0.144 4.196 4.340 0.001 0.000 0.208 650 L C 2.410 179.140 176.870 -0.233 0.000 1.073 650 L CA 1.320 56.112 54.840 -0.080 0.000 0.745 650 L CB -0.590 41.317 42.059 -0.252 0.000 0.894 650 L HN 0.254 nan 8.230 nan 0.000 0.432 651 K N -0.627 119.636 120.400 -0.228 0.000 2.097 651 K HA -0.169 4.151 4.320 0.001 0.000 0.205 651 K C 2.135 178.704 176.600 -0.052 0.000 1.050 651 K CA 1.224 57.384 56.287 -0.211 0.000 0.938 651 K CB -0.290 32.129 32.500 -0.135 0.000 0.718 651 K HN 0.082 nan 8.250 nan 0.000 0.442 652 F N 1.995 121.868 119.950 -0.129 0.000 2.102 652 F HA -0.159 4.369 4.527 0.001 0.000 0.298 652 F C 2.072 177.807 175.800 -0.109 0.000 1.105 652 F CA 0.771 58.716 58.000 -0.093 0.000 1.239 652 F CB -0.362 38.609 39.000 -0.049 0.000 0.991 652 F HN -0.149 nan 8.300 nan 0.000 0.474 653 I N 0.436 120.931 120.570 -0.125 0.000 2.394 653 I HA -0.133 4.037 4.170 0.001 0.000 0.251 653 I C 2.390 178.346 176.117 -0.268 0.000 1.136 653 I CA 1.471 62.622 61.300 -0.249 0.000 1.425 653 I CB -0.935 37.001 38.000 -0.108 0.000 1.079 653 I HN 0.148 nan 8.210 nan 0.000 0.425 654 A N -0.966 121.700 122.820 -0.256 0.000 1.933 654 A HA -0.190 4.130 4.320 0.001 0.000 0.218 654 A C 2.339 179.627 177.584 -0.493 0.000 1.175 654 A CA 2.353 54.099 52.037 -0.485 0.000 0.628 654 A CB -1.240 17.100 19.000 -1.100 0.000 0.814 654 A HN 0.438 nan 8.150 nan 0.000 0.444 655 T N 0.400 114.758 114.554 -0.326 0.000 2.777 655 T HA -0.038 4.313 4.350 0.001 0.000 0.266 655 T C 1.827 176.449 174.700 -0.131 0.000 1.040 655 T CA 1.349 63.431 62.100 -0.029 0.000 1.141 655 T CB -0.360 68.546 68.868 0.062 0.000 0.868 655 T HN 0.348 nan 8.240 nan 0.000 0.444 656 L N 0.802 121.818 121.223 -0.346 0.000 2.017 656 L HA -0.167 4.173 4.340 0.001 0.000 0.208 656 L C 2.908 179.557 176.870 -0.369 0.000 1.073 656 L CA 1.481 56.059 54.840 -0.437 0.000 0.745 656 L CB -0.572 41.130 42.059 -0.596 0.000 0.894 656 L HN 0.306 nan 8.230 nan 0.000 0.432 657 Q N -1.530 118.034 119.800 -0.394 0.000 2.167 657 Q HA -0.236 4.104 4.340 0.001 0.000 0.202 657 Q C 1.997 177.877 176.000 -0.200 0.000 0.970 657 Q CA 1.676 57.183 55.803 -0.493 0.000 0.855 657 Q CB -0.155 28.186 28.738 -0.660 0.000 0.911 657 Q HN 0.481 nan 8.270 nan 0.000 0.438 658 Y N 0.736 120.931 120.300 -0.175 0.000 2.176 658 Y HA -0.152 4.398 4.550 0.001 0.000 0.291 658 Y C 1.897 177.767 175.900 -0.048 0.000 1.122 658 Y CA 1.037 59.112 58.100 -0.041 0.000 1.128 658 Y CB 0.094 38.603 38.460 0.081 0.000 1.005 658 Y HN -0.019 nan 8.280 nan 0.000 0.509 659 I N -0.905 119.634 120.570 -0.051 0.000 2.233 659 I HA -0.165 4.005 4.170 0.001 0.000 0.243 659 I C 2.097 178.088 176.117 -0.211 0.000 1.093 659 I CA 1.192 62.411 61.300 -0.136 0.000 1.380 659 I CB -1.206 36.777 38.000 -0.028 0.000 1.067 659 I HN 0.173 nan 8.210 nan 0.000 0.413 660 V N 0.430 120.186 119.914 -0.264 0.000 2.788 660 V HA 0.159 4.280 4.120 0.001 0.000 0.241 660 V C 2.539 178.525 176.094 -0.180 0.000 1.083 660 V CA 1.221 63.346 62.300 -0.292 0.000 1.103 660 V CB -0.810 30.675 31.823 -0.563 0.000 0.800 660 V HN 0.401 nan 8.190 nan 0.000 0.476 661 G N 0.347 109.040 108.800 -0.178 0.000 2.448 661 G HA2 -0.217 3.744 3.960 0.001 0.000 0.219 661 G HA3 -0.217 3.744 3.960 0.001 0.000 0.219 661 G C 1.656 176.597 174.900 0.069 0.000 1.127 661 G CA 0.476 45.565 45.100 -0.018 0.000 0.766 661 G HN 0.427 nan 8.290 nan 0.000 0.552 662 R N 0.629 121.100 120.500 -0.048 0.000 2.299 662 R HA 0.094 4.435 4.340 0.001 0.000 0.197 662 R C 1.062 177.323 176.300 -0.065 0.000 0.971 662 R CA 0.403 56.470 56.100 -0.056 0.000 1.030 662 R CB 0.097 30.297 30.300 -0.168 0.000 0.932 662 R HN 0.420 nan 8.270 nan 0.000 0.477 663 S N 0.249 115.908 115.700 -0.068 0.000 2.565 663 S HA 0.166 4.637 4.470 0.001 0.000 0.276 663 S C 0.797 175.380 174.600 -0.029 0.000 1.326 663 S CA -0.745 57.424 58.200 -0.053 0.000 1.045 663 S CB 1.790 64.959 63.200 -0.052 0.000 0.918 663 S HN 0.010 nan 8.310 nan 0.000 0.505 664 R N 2.340 122.825 120.500 -0.025 0.000 2.105 664 R HA -0.106 4.235 4.340 0.001 0.000 0.239 664 R C 2.180 178.473 176.300 -0.012 0.000 1.135 664 R CA 2.100 58.188 56.100 -0.020 0.000 0.967 664 R CB -0.583 29.707 30.300 -0.017 0.000 0.861 664 R HN 0.933 nan 8.270 nan 0.000 0.442 665 K N 0.042 120.440 120.400 -0.004 0.000 2.439 665 K HA -0.073 4.247 4.320 0.001 0.000 0.197 665 K C 0.457 177.068 176.600 0.018 0.000 1.041 665 K CA 0.537 56.829 56.287 0.008 0.000 0.970 665 K CB 0.089 32.599 32.500 0.016 0.000 0.773 665 K HN -0.074 nan 8.250 nan 0.000 0.479 666 Q N 1.872 121.680 119.800 0.014 0.000 2.344 666 Q HA 0.117 4.457 4.340 0.001 0.000 0.253 666 Q C -0.362 175.652 176.000 0.023 0.000 1.050 666 Q CA 0.037 55.859 55.803 0.031 0.000 0.912 666 Q CB 0.694 29.445 28.738 0.022 0.000 1.258 666 Q HN 0.237 nan 8.270 nan 0.000 0.443 667 N N 2.575 121.293 118.700 0.030 0.000 2.294 667 N HA 0.059 4.800 4.740 0.001 0.000 0.186 667 N C -0.638 174.896 175.510 0.040 0.000 1.107 667 N CA 0.028 53.084 53.050 0.011 0.000 0.884 667 N CB 0.423 38.915 38.487 0.008 0.000 1.030 667 N HN 0.420 nan 8.380 nan 0.000 0.482 668 N N 3.039 121.786 118.700 0.078 0.000 2.520 668 N HA 0.167 4.908 4.740 0.001 0.000 0.273 668 N C -2.352 173.246 175.510 0.146 0.000 1.155 668 N CA -0.919 52.197 53.050 0.109 0.000 0.967 668 N CB 0.665 39.226 38.487 0.124 0.000 1.092 668 N HN 0.161 nan 8.380 nan 0.000 0.457 669 P HA 0.153 nan 4.420 nan 0.000 0.272 669 P C -0.713 176.732 177.300 0.242 0.000 1.223 669 P CA -0.073 63.168 63.100 0.235 0.000 0.784 669 P CB 0.885 32.595 31.700 0.016 0.000 0.923 670 L N 3.226 124.599 121.223 0.249 0.000 2.401 670 L HA 0.457 4.797 4.340 0.001 0.000 0.263 670 L C -0.046 176.809 176.870 -0.024 0.000 1.004 670 L CA -0.300 54.561 54.840 0.034 0.000 0.881 670 L CB 0.726 42.703 42.059 -0.137 0.000 1.219 670 L HN 0.212 nan 8.230 nan 0.000 0.441 671 L N 3.406 124.578 121.223 -0.084 0.000 2.323 671 L HA 0.676 5.017 4.340 0.001 0.000 0.265 671 L C -0.742 176.023 176.870 -0.175 0.000 1.012 671 L CA -0.742 54.008 54.840 -0.150 0.000 0.820 671 L CB 3.133 45.053 42.059 -0.231 0.000 1.334 671 L HN 0.437 nan 8.230 nan 0.000 0.427 672 I N 0.406 120.896 120.570 -0.135 0.000 2.647 672 I HA 0.411 4.581 4.170 0.001 0.000 0.295 672 I C -1.348 174.752 176.117 -0.029 0.000 1.078 672 I CA -0.334 60.916 61.300 -0.084 0.000 1.048 672 I CB 2.160 40.131 38.000 -0.049 0.000 1.239 672 I HN 0.658 nan 8.210 nan 0.000 0.421 673 H N 6.924 125.934 119.070 -0.099 0.000 2.609 673 H HA 0.499 5.055 4.556 0.001 0.000 0.344 673 H C -1.916 173.393 175.328 -0.032 0.000 1.040 673 H CA -0.578 55.427 56.048 -0.071 0.000 1.216 673 H CB 2.044 31.761 29.762 -0.075 0.000 1.529 673 H HN 0.359 nan 8.280 nan 0.000 0.519 674 V N 5.597 125.181 119.914 -0.551 0.000 2.357 674 V HA 0.069 4.189 4.120 0.001 0.000 0.284 674 V C 0.247 176.030 176.094 -0.520 0.000 1.018 674 V CA -0.668 61.417 62.300 -0.359 0.000 0.841 674 V CB 1.311 33.038 31.823 -0.160 0.000 0.991 674 V HN 0.741 nan 8.190 nan 0.000 0.437 675 D N 3.196 123.420 120.400 -0.294 0.000 2.348 675 D HA 0.533 5.173 4.640 0.001 0.000 0.249 675 D C 0.278 176.568 176.300 -0.018 0.000 1.110 675 D CA 0.034 53.963 54.000 -0.117 0.000 0.967 675 D CB 1.733 42.565 40.800 0.052 0.000 1.139 675 D HN 0.682 nan 8.370 nan 0.000 0.466 676 T N -1.368 113.207 114.554 0.036 0.000 2.925 676 T HA 0.409 4.759 4.350 0.001 0.000 0.285 676 T C -0.049 174.712 174.700 0.102 0.000 1.021 676 T CA -0.890 61.256 62.100 0.078 0.000 1.042 676 T CB 1.118 70.025 68.868 0.065 0.000 1.037 676 T HN 0.501 nan 8.240 nan 0.000 0.481 677 K N -0.370 120.122 120.400 0.153 0.000 3.035 677 K HA -0.082 4.239 4.320 0.001 0.000 0.262 677 K C -0.019 176.598 176.600 0.028 0.000 1.024 677 K CA 0.628 56.943 56.287 0.045 0.000 0.748 677 K CB -2.160 30.346 32.500 0.010 0.000 1.247 677 K HN 1.040 nan 8.250 nan 0.000 0.482 678 A N -0.731 122.149 122.820 0.100 0.000 2.566 678 A HA 0.868 5.189 4.320 0.001 0.000 0.292 678 A C 0.235 177.903 177.584 0.140 0.000 1.112 678 A CA -0.085 52.004 52.037 0.087 0.000 0.707 678 A CB 2.002 21.050 19.000 0.080 0.000 1.302 678 A HN 0.262 nan 8.150 nan 0.000 0.409 679 G N -1.307 107.567 108.800 0.124 0.000 3.259 679 G HA2 0.408 4.369 3.960 0.001 0.000 0.178 679 G HA3 0.408 4.369 3.960 0.001 0.000 0.178 679 G C 0.535 175.534 174.900 0.166 0.000 1.129 679 G CA 0.491 45.690 45.100 0.166 0.000 0.816 679 G HN 0.880 nan 8.290 nan 0.000 0.634 680 H N -0.568 118.551 119.070 0.081 0.000 2.387 680 H HA 0.100 4.656 4.556 0.001 0.000 0.299 680 H C 1.951 177.311 175.328 0.053 0.000 1.099 680 H CA 3.041 59.129 56.048 0.067 0.000 1.315 680 H CB 0.197 30.002 29.762 0.071 0.000 1.380 680 H HN 0.818 nan 8.280 nan 0.000 0.513 681 G N -2.111 106.727 108.800 0.064 0.000 3.768 681 G HA2 -0.047 3.914 3.960 0.001 0.000 0.214 681 G HA3 -0.047 3.914 3.960 0.001 0.000 0.214 681 G C 0.251 175.174 174.900 0.038 0.000 1.058 681 G CA -0.083 45.017 45.100 0.001 0.000 0.890 681 G HN 0.600 nan 8.290 nan 0.000 0.393 682 A N 0.749 123.610 122.820 0.069 0.000 2.520 682 A HA 0.553 4.874 4.320 0.001 0.000 0.245 682 A C 1.907 179.523 177.584 0.054 0.000 1.072 682 A CA 1.838 53.911 52.037 0.060 0.000 0.761 682 A CB -0.341 18.704 19.000 0.076 0.000 1.004 682 A HN 2.429 nan 8.150 nan 0.000 0.499 683 G N 1.214 110.038 108.800 0.039 0.000 2.162 683 G HA2 -0.281 3.679 3.960 0.001 0.000 0.260 683 G HA3 -0.281 3.679 3.960 0.001 0.000 0.260 683 G C 0.372 175.293 174.900 0.035 0.000 0.976 683 G CA 0.721 45.842 45.100 0.035 0.000 0.655 683 G HN 1.076 nan 8.290 nan 0.000 0.533 684 K N 1.879 122.303 120.400 0.040 0.000 2.451 684 K HA 0.317 4.637 4.320 0.001 0.000 0.280 684 K C -1.597 175.029 176.600 0.043 0.000 1.020 684 K CA -0.987 55.324 56.287 0.041 0.000 1.008 684 K CB 0.664 33.189 32.500 0.042 0.000 0.917 684 K HN 0.167 nan 8.250 nan 0.000 0.478 685 P HA -0.004 nan 4.420 nan 0.000 0.271 685 P C 0.122 177.459 177.300 0.061 0.000 1.218 685 P CA -0.213 62.911 63.100 0.039 0.000 0.780 685 P CB 1.000 32.717 31.700 0.028 0.000 0.901 686 T N 2.303 116.901 114.554 0.073 0.000 2.649 686 T HA -0.269 4.082 4.350 0.001 0.000 0.268 686 T C 1.877 176.646 174.700 0.115 0.000 1.036 686 T CA 2.486 64.666 62.100 0.133 0.000 1.157 686 T CB -0.801 68.127 68.868 0.100 0.000 0.861 686 T HN 0.571 nan 8.240 nan 0.000 0.445 687 A N 1.572 124.436 122.820 0.073 0.000 1.908 687 A HA -0.188 4.133 4.320 0.001 0.000 0.218 687 A C 2.295 179.916 177.584 0.062 0.000 1.181 687 A CA 1.857 53.931 52.037 0.063 0.000 0.627 687 A CB -0.479 18.546 19.000 0.042 0.000 0.818 687 A HN 0.507 nan 8.150 nan 0.000 0.445 688 K N -0.611 119.824 120.400 0.058 0.000 2.103 688 K HA -0.015 4.306 4.320 0.001 0.000 0.204 688 K C 1.881 178.513 176.600 0.055 0.000 1.052 688 K CA 1.179 57.500 56.287 0.057 0.000 0.945 688 K CB -0.301 32.233 32.500 0.055 0.000 0.722 688 K HN 0.313 nan 8.250 nan 0.000 0.443 689 V N 1.986 121.935 119.914 0.057 0.000 2.287 689 V HA -0.263 3.858 4.120 0.001 0.000 0.248 689 V C 2.173 178.280 176.094 0.023 0.000 1.053 689 V CA 1.683 64.004 62.300 0.035 0.000 1.027 689 V CB -0.399 31.446 31.823 0.036 0.000 0.646 689 V HN 0.277 nan 8.190 nan 0.000 0.447 690 I N -0.384 120.212 120.570 0.044 0.000 2.226 690 I HA -0.188 3.982 4.170 0.001 0.000 0.245 690 I C 2.661 178.826 176.117 0.081 0.000 1.100 690 I CA 1.301 62.638 61.300 0.062 0.000 1.374 690 I CB -0.456 37.599 38.000 0.091 0.000 1.057 690 I HN 0.323 nan 8.210 nan 0.000 0.413 691 E N 0.648 120.885 120.200 0.061 0.000 2.077 691 E HA -0.277 4.073 4.350 0.001 0.000 0.193 691 E C 1.962 178.578 176.600 0.028 0.000 0.989 691 E CA 1.306 57.733 56.400 0.045 0.000 0.800 691 E CB -0.285 29.438 29.700 0.038 0.000 0.746 691 E HN 0.571 nan 8.360 nan 0.000 0.452 692 E N 0.839 121.058 120.200 0.031 0.000 2.031 692 E HA -0.159 4.191 4.350 0.001 0.000 0.193 692 E C 2.235 178.839 176.600 0.008 0.000 0.994 692 E CA 1.934 58.343 56.400 0.016 0.000 0.800 692 E CB 0.087 29.803 29.700 0.027 0.000 0.752 692 E HN 0.151 nan 8.360 nan 0.000 0.447 693 V N -1.020 118.923 119.914 0.049 0.000 2.490 693 V HA -0.166 3.954 4.120 0.001 0.000 0.250 693 V C 2.245 178.357 176.094 0.030 0.000 1.061 693 V CA 1.877 64.237 62.300 0.101 0.000 1.064 693 V CB -0.601 31.351 31.823 0.215 0.000 0.670 693 V HN 0.114 nan 8.190 nan 0.000 0.461 694 S N 0.570 116.301 115.700 0.052 0.000 2.382 694 S HA -0.185 4.285 4.470 0.001 0.000 0.228 694 S C 1.735 176.302 174.600 -0.056 0.000 1.027 694 S CA 1.721 59.918 58.200 -0.005 0.000 0.991 694 S CB -0.537 62.739 63.200 0.127 0.000 0.823 694 S HN 0.694 nan 8.310 nan 0.000 0.469 695 D N 1.395 121.772 120.400 -0.039 0.000 2.084 695 D HA -0.044 4.597 4.640 0.001 0.000 0.194 695 D C 1.959 178.245 176.300 -0.023 0.000 0.990 695 D CA 1.055 55.029 54.000 -0.044 0.000 0.826 695 D CB -0.322 40.417 40.800 -0.102 0.000 0.971 695 D HN 0.351 nan 8.370 nan 0.000 0.453 696 M N -0.413 119.130 119.600 -0.094 0.000 2.073 696 M HA -0.181 4.300 4.480 0.001 0.000 0.258 696 M C 2.125 178.291 176.300 -0.224 0.000 1.070 696 M CA 1.465 56.658 55.300 -0.179 0.000 1.103 696 M CB -0.406 31.995 32.600 -0.331 0.000 1.321 696 M HN -0.037 nan 8.290 nan 0.000 0.405 697 F N -0.074 119.775 119.950 -0.168 0.000 2.407 697 F HA -0.008 4.520 4.527 0.001 0.000 0.299 697 F C 2.527 178.312 175.800 -0.026 0.000 1.097 697 F CA 0.995 58.891 58.000 -0.175 0.000 1.422 697 F CB -0.797 37.874 39.000 -0.548 0.000 1.067 697 F HN 0.107 nan 8.300 nan 0.000 0.539 698 A N -0.348 122.526 122.820 0.090 0.000 1.930 698 A HA -0.178 4.142 4.320 0.001 0.000 0.217 698 A C 2.054 179.740 177.584 0.170 0.000 1.175 698 A CA 1.097 53.202 52.037 0.113 0.000 0.627 698 A CB -1.210 17.830 19.000 0.066 0.000 0.815 698 A HN 0.355 nan 8.150 nan 0.000 0.443 699 F N 0.832 120.823 119.950 0.068 0.000 2.102 699 F HA -0.151 4.376 4.527 0.001 0.000 0.298 699 F C 1.965 177.861 175.800 0.161 0.000 1.105 699 F CA 1.610 59.702 58.000 0.153 0.000 1.239 699 F CB -0.288 38.771 39.000 0.099 0.000 0.991 699 F HN 0.180 nan 8.300 nan 0.000 0.474 700 I N 0.095 120.762 120.570 0.162 0.000 2.163 700 I HA -0.335 3.835 4.170 0.001 0.000 0.243 700 I C 2.693 178.888 176.117 0.130 0.000 1.085 700 I CA 1.309 62.684 61.300 0.126 0.000 1.347 700 I CB -1.030 37.104 38.000 0.224 0.000 1.044 700 I HN 0.223 nan 8.210 nan 0.000 0.408 701 A N 0.727 123.660 122.820 0.188 0.000 1.877 701 A HA -0.261 4.059 4.320 0.001 0.000 0.216 701 A C 2.438 180.069 177.584 0.078 0.000 1.186 701 A CA 2.002 54.148 52.037 0.181 0.000 0.620 701 A CB -0.669 18.464 19.000 0.222 0.000 0.822 701 A HN 0.365 nan 8.150 nan 0.000 0.443 702 R N -0.836 119.668 120.500 0.007 0.000 2.075 702 R HA -0.131 4.209 4.340 0.001 0.000 0.232 702 R C 2.127 178.395 176.300 -0.052 0.000 1.126 702 R CA 1.931 57.989 56.100 -0.071 0.000 0.963 702 R CB -0.652 29.518 30.300 -0.218 0.000 0.858 702 R HN 0.554 nan 8.270 nan 0.000 0.435 703 C N 0.306 119.545 119.300 -0.101 0.000 2.440 703 C HA 0.026 4.487 4.460 0.001 0.000 0.278 703 C C 2.172 177.156 174.990 -0.009 0.000 1.295 703 C CA 0.410 59.376 59.018 -0.086 0.000 1.738 703 C CB -0.615 26.948 27.740 -0.296 0.000 1.987 703 C HN 0.502 nan 8.230 nan 0.000 0.492 704 L N 0.463 121.699 121.223 0.022 0.000 2.607 704 L HA 0.163 4.503 4.340 0.001 0.000 0.228 704 L C 0.609 177.520 176.870 0.068 0.000 1.123 704 L CA 0.159 55.038 54.840 0.065 0.000 0.890 704 L CB -0.600 41.527 42.059 0.114 0.000 1.103 704 L HN 0.305 nan 8.230 nan 0.000 0.468 705 N N 1.732 120.465 118.700 0.055 0.000 2.714 705 N HA -0.208 4.532 4.740 0.001 0.000 0.253 705 N C -0.450 175.107 175.510 0.079 0.000 1.024 705 N CA 0.470 53.552 53.050 0.055 0.000 0.726 705 N CB -1.206 37.305 38.487 0.039 0.000 0.908 705 N HN 0.325 nan 8.380 nan 0.000 0.542 706 I N 0.378 121.016 120.570 0.113 0.000 2.395 706 I HA 0.142 4.312 4.170 0.001 0.000 0.289 706 I C 0.601 176.810 176.117 0.154 0.000 1.023 706 I CA -0.575 60.806 61.300 0.135 0.000 1.350 706 I CB 0.705 38.816 38.000 0.185 0.000 1.409 706 I HN 0.068 nan 8.210 nan 0.000 0.507 707 D N 5.945 126.424 120.400 0.130 0.000 2.302 707 D HA 0.031 4.671 4.640 0.001 0.000 0.248 707 D C -0.464 175.968 176.300 0.220 0.000 1.094 707 D CA -0.174 53.922 54.000 0.159 0.000 0.897 707 D CB 1.408 42.273 40.800 0.109 0.000 1.200 707 D HN 0.454 nan 8.370 nan 0.000 0.429 708 W N 3.589 124.934 121.300 0.074 0.000 2.190 708 W HA 0.257 4.917 4.660 0.001 0.000 0.330 708 W C -0.921 175.651 176.519 0.088 0.000 1.299 708 W CA -0.361 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