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 1uoo_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 NGGANGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL 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 0.000 176.362 176.300 0.103 0.000 1.140 1 M CA 0.000 55.345 55.300 0.075 0.000 0.988 1 M CB 0.000 32.655 32.600 0.091 0.000 1.302 2 L N 1.968 123.142 121.223 -0.081 0.000 2.657 2 L HA 0.332 4.673 4.340 0.001 0.000 0.239 2 L C 0.489 177.086 176.870 -0.456 0.000 1.215 2 L CA 0.400 54.996 54.840 -0.407 0.000 1.161 2 L CB 0.594 42.319 42.059 -0.556 0.000 1.436 2 L HN 0.044 nan 8.230 nan 0.000 0.414 3 S N 1.670 117.283 115.700 -0.145 0.000 2.768 3 S HA 0.237 4.707 4.470 0.001 0.000 0.246 3 S C -0.016 174.609 174.600 0.043 0.000 1.006 3 S CA -0.261 57.916 58.200 -0.038 0.000 1.075 3 S CB -0.818 62.420 63.200 0.063 0.000 0.786 3 S HN 0.458 nan 8.310 nan 0.000 0.468 4 F N -0.778 119.138 119.950 -0.058 0.000 2.764 4 F HA 0.742 5.269 4.527 0.001 0.000 0.347 4 F C -0.606 175.100 175.800 -0.157 0.000 1.151 4 F CA -1.424 56.524 58.000 -0.087 0.000 1.021 4 F CB 0.897 39.847 39.000 -0.084 0.000 1.438 4 F HN -0.270 nan 8.300 nan 0.000 0.516 5 Q N 0.197 120.097 119.800 0.167 0.000 2.347 5 Q HA 0.324 4.665 4.340 0.001 0.000 0.271 5 Q C -1.920 174.177 176.000 0.161 0.000 1.064 5 Q CA -1.013 54.808 55.803 0.029 0.000 0.800 5 Q CB 2.774 31.536 28.738 0.041 0.000 1.304 5 Q HN 0.629 nan 8.270 nan 0.000 0.438 6 Y N 2.650 123.075 120.300 0.209 0.000 2.511 6 Y HA 0.086 4.636 4.550 0.001 0.000 0.332 6 Y C -1.561 174.396 175.900 0.096 0.000 1.177 6 Y CA -1.559 56.632 58.100 0.151 0.000 1.422 6 Y CB -0.262 38.264 38.460 0.111 0.000 1.271 6 Y HN 0.328 nan 8.280 nan 0.000 0.550 7 P HA -0.013 nan 4.420 nan 0.000 0.268 7 P C -0.767 176.645 177.300 0.186 0.000 1.205 7 P CA -0.229 62.957 63.100 0.145 0.000 0.771 7 P CB 0.822 32.554 31.700 0.052 0.000 0.858 8 D N 1.131 121.638 120.400 0.179 0.000 2.417 8 D HA 0.185 4.825 4.640 0.001 0.000 0.250 8 D C -0.183 176.276 176.300 0.266 0.000 1.166 8 D CA 0.366 54.490 54.000 0.207 0.000 0.881 8 D CB 0.355 41.256 40.800 0.169 0.000 1.164 8 D HN -0.013 nan 8.370 nan 0.000 0.467 9 V N 3.735 123.840 119.914 0.320 0.000 2.483 9 V HA 0.114 4.234 4.120 0.001 0.000 0.297 9 V C -0.470 175.911 176.094 0.478 0.000 1.027 9 V CA -1.126 61.451 62.300 0.462 0.000 0.855 9 V CB 1.226 33.312 31.823 0.439 0.000 0.995 9 V HN 0.406 nan 8.190 nan 0.000 0.424 10 Y N 5.577 126.089 120.300 0.354 0.000 2.526 10 Y HA 0.301 4.852 4.550 0.001 0.000 0.330 10 Y C 0.706 176.804 175.900 0.330 0.000 1.156 10 Y CA 0.018 58.225 58.100 0.177 0.000 1.419 10 Y CB 0.446 38.825 38.460 -0.134 0.000 1.250 10 Y HN 0.557 nan 8.280 nan 0.000 0.540 11 R N 4.816 124.947 120.500 -0.614 0.000 2.229 11 R HA 0.122 4.462 4.340 0.001 0.000 0.332 11 R C -1.132 174.643 176.300 -0.875 0.000 0.989 11 R CA -0.819 54.890 56.100 -0.651 0.000 0.842 11 R CB 0.641 30.562 30.300 -0.631 0.000 1.119 11 R HN 0.623 nan 8.270 nan 0.000 0.456 12 D N 3.164 123.295 120.400 -0.448 0.000 2.435 12 D HA 0.005 4.645 4.640 0.001 0.000 0.230 12 D C 0.597 176.780 176.300 -0.193 0.000 1.215 12 D CA -0.006 53.865 54.000 -0.215 0.000 0.947 12 D CB 0.760 41.623 40.800 0.105 0.000 1.048 12 D HN 0.400 nan 8.370 nan 0.000 0.512 13 E N 1.437 121.511 120.200 -0.210 0.000 2.347 13 E HA -0.115 4.235 4.350 0.001 0.000 0.196 13 E C 1.728 178.285 176.600 -0.072 0.000 1.008 13 E CA 0.798 57.111 56.400 -0.145 0.000 0.852 13 E CB -0.186 29.436 29.700 -0.129 0.000 0.783 13 E HN 0.637 nan 8.360 nan 0.000 0.505 14 T N -1.146 113.383 114.554 -0.043 0.000 3.023 14 T HA 0.124 4.474 4.350 0.001 0.000 0.266 14 T C 1.395 176.090 174.700 -0.009 0.000 1.093 14 T CA 0.537 62.628 62.100 -0.015 0.000 1.129 14 T CB -0.055 68.815 68.868 0.004 0.000 0.899 14 T HN 0.073 nan 8.240 nan 0.000 0.491 15 A N 1.747 124.562 122.820 -0.008 0.000 3.030 15 A HA 0.523 4.843 4.320 0.001 0.000 0.273 15 A C 0.105 177.696 177.584 0.011 0.000 1.841 15 A CA -0.378 51.664 52.037 0.008 0.000 1.479 15 A CB -1.345 17.666 19.000 0.019 0.000 1.048 15 A HN 0.677 nan 8.150 nan 0.000 0.612 16 I N 0.750 121.324 120.570 0.007 0.000 2.354 16 I HA 0.303 4.474 4.170 0.001 0.000 0.292 16 I C 0.249 176.368 176.117 0.003 0.000 0.989 16 I CA -0.172 61.139 61.300 0.018 0.000 1.188 16 I CB 1.666 39.668 38.000 0.003 0.000 1.342 16 I HN 0.542 nan 8.210 nan 0.000 0.457 17 Q N 4.278 124.095 119.800 0.028 0.000 2.342 17 Q HA 0.303 4.643 4.340 0.001 0.000 0.267 17 Q C -1.435 174.520 176.000 -0.074 0.000 1.038 17 Q CA -0.844 54.918 55.803 -0.068 0.000 0.832 17 Q CB 2.454 31.119 28.738 -0.123 0.000 1.323 17 Q HN 0.589 nan 8.270 nan 0.000 0.448 18 D N 1.860 122.142 120.400 -0.197 0.000 2.313 18 D HA 0.175 4.816 4.640 0.001 0.000 0.239 18 D C -1.600 174.450 176.300 -0.417 0.000 1.142 18 D CA 0.001 53.887 54.000 -0.190 0.000 0.847 18 D CB 0.403 41.104 40.800 -0.165 0.000 1.082 18 D HN 0.323 nan 8.370 nan 0.000 0.480 19 Y N 4.072 124.153 120.300 -0.365 0.000 2.587 19 Y HA 0.220 4.771 4.550 0.001 0.000 0.328 19 Y C 0.172 175.671 175.900 -0.667 0.000 0.980 19 Y CA -0.699 56.942 58.100 -0.765 0.000 1.272 19 Y CB 0.372 38.111 38.460 -1.201 0.000 1.094 19 Y HN 0.543 nan 8.280 nan 0.000 0.503 20 H N 1.809 120.735 119.070 -0.240 0.000 2.655 20 H HA -0.247 4.309 4.556 0.001 0.000 0.313 20 H C 1.424 176.715 175.328 -0.062 0.000 1.141 20 H CA 1.021 56.980 56.048 -0.149 0.000 1.138 20 H CB -1.454 28.221 29.762 -0.146 0.000 1.446 20 H HN 1.093 nan 8.280 nan 0.000 0.415 21 G N -0.654 108.151 108.800 0.008 0.000 2.234 21 G HA2 -0.309 3.652 3.960 0.001 0.000 0.235 21 G HA3 -0.309 3.652 3.960 0.001 0.000 0.235 21 G C 0.029 174.980 174.900 0.085 0.000 0.997 21 G CA 0.485 45.611 45.100 0.043 0.000 0.623 21 G HN 0.847 nan 8.290 nan 0.000 0.514 22 H N 1.910 121.000 119.070 0.034 0.000 2.562 22 H HA 0.605 5.161 4.556 0.001 0.000 0.314 22 H C 0.081 175.466 175.328 0.095 0.000 1.079 22 H CA -0.414 55.701 56.048 0.112 0.000 1.349 22 H CB 0.583 30.516 29.762 0.285 0.000 1.432 22 H HN -0.041 nan 8.280 nan 0.000 0.479 23 K N 5.063 125.421 120.400 -0.071 0.000 2.248 23 K HA 0.245 4.565 4.320 0.001 0.000 0.281 23 K C -0.957 175.732 176.600 0.148 0.000 1.054 23 K CA -0.580 55.726 56.287 0.031 0.000 0.903 23 K CB 1.631 34.109 32.500 -0.036 0.000 1.077 23 K HN 0.286 nan 8.250 nan 0.000 0.474 24 V N 3.333 123.414 119.914 0.279 0.000 2.495 24 V HA 0.221 4.342 4.120 0.001 0.000 0.298 24 V C -0.082 176.143 176.094 0.218 0.000 1.031 24 V CA -0.932 61.560 62.300 0.320 0.000 0.871 24 V CB 1.705 33.777 31.823 0.414 0.000 0.988 24 V HN 0.794 nan 8.190 nan 0.000 0.432 25 C N 3.277 122.678 119.300 0.169 0.000 2.330 25 C HA 0.493 4.954 4.460 0.001 0.000 0.344 25 C C 0.414 175.452 174.990 0.081 0.000 1.273 25 C CA -0.351 58.719 59.018 0.087 0.000 1.879 25 C CB 0.466 28.225 27.740 0.031 0.000 2.376 25 C HN 0.913 nan 8.230 nan 0.000 0.534 26 D N 3.067 123.488 120.400 0.035 0.000 2.607 26 D HA 0.269 4.909 4.640 0.001 0.000 0.318 26 D C -1.268 174.964 176.300 -0.113 0.000 1.212 26 D CA -1.349 52.653 54.000 0.004 0.000 0.861 26 D CB 0.715 41.566 40.800 0.086 0.000 1.064 26 D HN 0.309 nan 8.370 nan 0.000 0.500 27 P HA -0.108 nan 4.420 nan 0.000 0.226 27 P C 0.225 177.221 177.300 -0.507 0.000 1.153 27 P CA 0.670 63.486 63.100 -0.473 0.000 0.777 27 P CB 0.060 31.290 31.700 -0.784 0.000 0.794 28 Y N -0.976 119.223 120.300 -0.169 0.000 2.708 28 Y HA 0.505 5.056 4.550 0.001 0.000 0.287 28 Y C 2.183 177.751 175.900 -0.553 0.000 1.145 28 Y CA -0.596 57.217 58.100 -0.477 0.000 1.249 28 Y CB -0.915 37.244 38.460 -0.501 0.000 1.152 28 Y HN -0.071 nan 8.280 nan 0.000 0.532 29 A N 0.950 123.681 122.820 -0.150 0.000 2.070 29 A HA -0.157 4.163 4.320 0.001 0.000 0.220 29 A C 1.832 179.381 177.584 -0.057 0.000 1.159 29 A CA 1.378 53.372 52.037 -0.070 0.000 0.656 29 A CB -0.952 18.068 19.000 0.034 0.000 0.800 29 A HN 0.812 nan 8.150 nan 0.000 0.453 30 W N -0.675 120.625 121.300 -0.001 0.000 2.525 30 W HA 0.038 4.698 4.660 0.001 0.000 0.259 30 W C 0.817 177.303 176.519 -0.055 0.000 1.253 30 W CA 0.363 57.702 57.345 -0.009 0.000 1.262 30 W CB -0.963 28.515 29.460 0.030 0.000 1.122 30 W HN 0.223 nan 8.180 nan 0.000 0.607 31 L N 1.146 121.986 121.223 -0.639 0.000 2.622 31 L HA -0.048 4.292 4.340 0.001 0.000 0.233 31 L C 2.081 178.758 176.870 -0.323 0.000 1.156 31 L CA 0.983 55.452 54.840 -0.618 0.000 0.866 31 L CB -0.484 40.997 42.059 -0.963 0.000 0.980 31 L HN -0.027 nan 8.230 nan 0.000 0.448 32 E N -0.553 119.508 120.200 -0.232 0.000 2.427 32 E HA -0.127 4.223 4.350 0.001 0.000 0.196 32 E C 0.308 176.812 176.600 -0.160 0.000 1.028 32 E CA 0.232 56.493 56.400 -0.232 0.000 0.864 32 E CB 0.162 29.756 29.700 -0.176 0.000 0.813 32 E HN 0.205 nan 8.360 nan 0.000 0.514 33 D N 0.412 120.772 120.400 -0.066 0.000 2.428 33 D HA 0.041 4.681 4.640 0.001 0.000 0.221 33 D C -1.685 174.605 176.300 -0.018 0.000 1.123 33 D CA -2.546 51.443 54.000 -0.019 0.000 0.869 33 D CB 1.149 41.974 40.800 0.041 0.000 1.032 33 D HN -0.107 nan 8.370 nan 0.000 0.506 34 P HA -0.036 nan 4.420 nan 0.000 0.223 34 P C 0.290 177.587 177.300 -0.006 0.000 1.151 34 P CA 0.680 63.759 63.100 -0.036 0.000 0.787 34 P CB 0.614 32.278 31.700 -0.061 0.000 0.788 35 D N -0.175 120.226 120.400 0.002 0.000 2.348 35 D HA -0.007 4.633 4.640 0.001 0.000 0.211 35 D C 1.027 177.344 176.300 0.028 0.000 0.998 35 D CA 0.402 54.408 54.000 0.010 0.000 0.873 35 D CB 0.095 40.898 40.800 0.005 0.000 0.925 35 D HN 0.255 nan 8.370 nan 0.000 0.524 36 S N 0.858 116.586 115.700 0.046 0.000 2.579 36 S HA 0.034 4.504 4.470 0.001 0.000 0.275 36 S C 1.250 175.892 174.600 0.070 0.000 1.345 36 S CA -0.394 57.842 58.200 0.060 0.000 1.031 36 S CB 1.963 65.218 63.200 0.092 0.000 0.892 36 S HN -0.135 nan 8.310 nan 0.000 0.529 37 E N 1.934 122.165 120.200 0.052 0.000 2.150 37 E HA -0.143 4.208 4.350 0.001 0.000 0.193 37 E C 2.082 178.734 176.600 0.087 0.000 0.985 37 E CA 1.336 57.767 56.400 0.053 0.000 0.814 37 E CB -0.500 29.214 29.700 0.023 0.000 0.752 37 E HN 0.820 nan 8.360 nan 0.000 0.466 38 Q N -0.006 119.851 119.800 0.095 0.000 2.061 38 Q HA -0.111 4.229 4.340 0.001 0.000 0.204 38 Q C 2.259 178.489 176.000 0.382 0.000 0.984 38 Q CA 2.106 58.005 55.803 0.160 0.000 0.846 38 Q CB -0.743 28.020 28.738 0.042 0.000 0.902 38 Q HN 0.167 nan 8.270 nan 0.000 0.421 39 T N 0.766 115.524 114.554 0.339 0.000 2.737 39 T HA -0.119 4.231 4.350 0.001 0.000 0.265 39 T C 1.594 176.439 174.700 0.240 0.000 1.038 39 T CA 1.399 63.659 62.100 0.267 0.000 1.144 39 T CB -0.157 68.783 68.868 0.120 0.000 0.866 39 T HN 0.203 nan 8.240 nan 0.000 0.434 40 K N 1.115 121.612 120.400 0.161 0.000 2.063 40 K HA 0.006 4.327 4.320 0.001 0.000 0.208 40 K C 2.608 179.286 176.600 0.129 0.000 1.048 40 K CA 1.231 57.589 56.287 0.117 0.000 0.928 40 K CB -0.281 32.264 32.500 0.074 0.000 0.713 40 K HN 0.276 nan 8.250 nan 0.000 0.442 41 A N 0.833 123.746 122.820 0.154 0.000 1.930 41 A HA -0.169 4.152 4.320 0.001 0.000 0.217 41 A C 2.000 179.689 177.584 0.176 0.000 1.175 41 A CA 1.161 53.281 52.037 0.138 0.000 0.627 41 A CB -0.665 18.410 19.000 0.125 0.000 0.815 41 A HN 0.397 nan 8.150 nan 0.000 0.443 42 F N 0.770 120.794 119.950 0.123 0.000 2.102 42 F HA -0.155 4.372 4.527 0.001 0.000 0.298 42 F C 2.160 177.982 175.800 0.036 0.000 1.105 42 F CA 2.031 60.099 58.000 0.115 0.000 1.239 42 F CB -0.372 38.727 39.000 0.165 0.000 0.991 42 F HN 0.023 nan 8.300 nan 0.000 0.474 43 V N 0.703 120.709 119.914 0.154 0.000 2.287 43 V HA -0.288 3.833 4.120 0.001 0.000 0.248 43 V C 2.552 178.584 176.094 -0.104 0.000 1.053 43 V CA 2.267 64.564 62.300 -0.006 0.000 1.027 43 V CB -0.747 31.122 31.823 0.077 0.000 0.646 43 V HN 0.349 nan 8.190 nan 0.000 0.447 44 E N 0.217 120.394 120.200 -0.037 0.000 2.058 44 E HA -0.247 4.103 4.350 0.001 0.000 0.194 44 E C 2.330 178.885 176.600 -0.075 0.000 0.997 44 E CA 1.780 58.157 56.400 -0.040 0.000 0.801 44 E CB -0.375 29.325 29.700 0.000 0.000 0.746 44 E HN 0.550 nan 8.360 nan 0.000 0.450 45 A N 0.997 123.759 122.820 -0.097 0.000 1.972 45 A HA -0.188 4.132 4.320 0.001 0.000 0.219 45 A C 2.088 179.567 177.584 -0.175 0.000 1.169 45 A CA 1.245 53.217 52.037 -0.108 0.000 0.635 45 A CB -0.287 18.664 19.000 -0.081 0.000 0.810 45 A HN 0.174 nan 8.150 nan 0.000 0.446 46 Q N -0.016 119.605 119.800 -0.299 0.000 2.049 46 Q HA -0.104 4.236 4.340 0.001 0.000 0.198 46 Q C 1.641 177.529 176.000 -0.186 0.000 0.971 46 Q CA 1.280 56.900 55.803 -0.305 0.000 0.833 46 Q CB -0.544 27.913 28.738 -0.468 0.000 0.896 46 Q HN 0.627 nan 8.270 nan 0.000 0.434 47 N N 1.092 119.705 118.700 -0.145 0.000 2.289 47 N HA -0.120 4.620 4.740 0.001 0.000 0.184 47 N C 1.499 176.986 175.510 -0.039 0.000 1.016 47 N CA 0.814 53.825 53.050 -0.065 0.000 0.872 47 N CB -0.094 38.352 38.487 -0.069 0.000 0.973 47 N HN 0.222 nan 8.380 nan 0.000 0.433 48 K N 0.617 120.978 120.400 -0.065 0.000 2.283 48 K HA -0.008 4.313 4.320 0.001 0.000 0.202 48 K C 1.752 178.308 176.600 -0.074 0.000 1.048 48 K CA 0.689 56.948 56.287 -0.048 0.000 0.948 48 K CB 0.113 32.590 32.500 -0.039 0.000 0.742 48 K HN 0.343 nan 8.250 nan 0.000 0.458 49 I N -4.363 116.116 120.570 -0.150 0.000 3.939 49 I HA 0.067 4.237 4.170 0.001 0.000 0.313 49 I C 1.496 177.425 176.117 -0.314 0.000 1.274 49 I CA 0.094 61.213 61.300 -0.302 0.000 1.301 49 I CB 0.178 37.864 38.000 -0.523 0.000 1.105 49 I HN -0.202 nan 8.210 nan 0.000 0.427 50 T N 1.736 116.183 114.554 -0.179 0.000 2.770 50 T HA -0.018 4.333 4.350 0.001 0.000 0.258 50 T C 2.107 176.841 174.700 0.057 0.000 1.039 50 T CA 1.679 63.738 62.100 -0.069 0.000 1.143 50 T CB -0.239 68.612 68.868 -0.029 0.000 0.866 50 T HN 0.161 nan 8.240 nan 0.000 0.428 51 V N 2.606 122.551 119.914 0.051 0.000 2.255 51 V HA -0.137 3.983 4.120 0.001 0.000 0.247 51 V C -0.453 175.670 176.094 0.048 0.000 1.051 51 V CA 1.857 64.187 62.300 0.049 0.000 1.018 51 V CB -1.775 30.084 31.823 0.060 0.000 0.641 51 V HN 0.363 nan 8.190 nan 0.000 0.445 52 P HA -0.189 nan 4.420 nan 0.000 0.216 52 P C 1.720 179.069 177.300 0.081 0.000 1.150 52 P CA 1.496 64.624 63.100 0.048 0.000 0.837 52 P CB -0.141 31.586 31.700 0.045 0.000 0.786 53 F N 0.103 120.040 119.950 -0.022 0.000 2.102 53 F HA -0.145 4.383 4.527 0.001 0.000 0.298 53 F C 1.930 177.766 175.800 0.060 0.000 1.105 53 F CA 1.475 59.495 58.000 0.033 0.000 1.239 53 F CB -0.744 38.267 39.000 0.018 0.000 0.991 53 F HN -0.259 nan 8.300 nan 0.000 0.474 54 L N -0.354 120.970 121.223 0.168 0.000 2.141 54 L HA -0.136 4.204 4.340 0.001 0.000 0.209 54 L C 1.903 178.754 176.870 -0.032 0.000 1.094 54 L CA 1.421 56.310 54.840 0.083 0.000 0.763 54 L CB -0.530 41.589 42.059 0.100 0.000 0.908 54 L HN 0.129 nan 8.230 nan 0.000 0.437 55 E N -0.942 119.239 120.200 -0.031 0.000 2.474 55 E HA -0.097 4.254 4.350 0.001 0.000 0.195 55 E C 1.904 178.469 176.600 -0.059 0.000 1.039 55 E CA -0.148 56.228 56.400 -0.040 0.000 0.881 55 E CB 0.318 30.005 29.700 -0.021 0.000 0.970 55 E HN 0.339 nan 8.360 nan 0.000 0.486 56 Q N -0.169 119.577 119.800 -0.089 0.000 2.170 56 Q HA -0.105 4.236 4.340 0.001 0.000 0.203 56 Q C 0.313 176.259 176.000 -0.090 0.000 0.976 56 Q CA 0.636 56.386 55.803 -0.088 0.000 0.858 56 Q CB 0.151 28.820 28.738 -0.115 0.000 0.907 56 Q HN 0.233 nan 8.270 nan 0.000 0.433 57 C N 1.432 120.665 119.300 -0.111 0.000 2.388 57 C HA 0.278 4.738 4.460 0.001 0.000 0.362 57 C C -1.208 173.735 174.990 -0.078 0.000 1.266 57 C CA -1.882 57.083 59.018 -0.089 0.000 2.028 57 C CB 0.820 28.504 27.740 -0.094 0.000 2.440 57 C HN 0.403 nan 8.230 nan 0.000 0.547 58 P HA -0.094 nan 4.420 nan 0.000 0.228 58 P C 1.375 178.582 177.300 -0.156 0.000 1.151 58 P CA 1.072 64.112 63.100 -0.101 0.000 0.770 58 P CB -0.037 31.609 31.700 -0.091 0.000 0.786 59 I N -0.034 120.460 120.570 -0.128 0.000 2.335 59 I HA -0.226 3.944 4.170 0.001 0.000 0.251 59 I C 2.756 178.781 176.117 -0.153 0.000 1.129 59 I CA 1.250 62.455 61.300 -0.159 0.000 1.402 59 I CB -0.128 37.881 38.000 0.016 0.000 1.069 59 I HN -0.193 nan 8.210 nan 0.000 0.424 60 R N 0.236 120.689 120.500 -0.077 0.000 2.081 60 R HA -0.142 4.198 4.340 0.001 0.000 0.235 60 R C 2.258 178.530 176.300 -0.046 0.000 1.131 60 R CA 1.541 57.623 56.100 -0.030 0.000 0.960 60 R CB -0.672 29.611 30.300 -0.028 0.000 0.856 60 R HN 0.502 nan 8.270 nan 0.000 0.436 61 G N 0.876 109.615 108.800 -0.103 0.000 2.418 61 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 61 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 61 G C 1.441 176.224 174.900 -0.196 0.000 1.158 61 G CA 0.542 45.574 45.100 -0.115 0.000 0.771 61 G HN 0.230 nan 8.290 nan 0.000 0.545 62 L N -1.264 119.734 121.223 -0.376 0.000 2.093 62 L HA 0.005 4.345 4.340 0.001 0.000 0.208 62 L C 2.526 178.993 176.870 -0.672 0.000 1.085 62 L CA 0.977 55.405 54.840 -0.687 0.000 0.755 62 L CB -0.395 40.871 42.059 -1.323 0.000 0.904 62 L HN 0.273 nan 8.230 nan 0.000 0.435 63 Y N 0.941 120.884 120.300 -0.595 0.000 2.133 63 Y HA -0.292 4.258 4.550 0.001 0.000 0.287 63 Y C 2.722 178.594 175.900 -0.045 0.000 1.134 63 Y CA 1.921 59.924 58.100 -0.162 0.000 1.133 63 Y CB -0.074 38.408 38.460 0.038 0.000 0.987 63 Y HN 0.011 nan 8.280 nan 0.000 0.502 64 K N 0.513 121.011 120.400 0.163 0.000 2.063 64 K HA -0.291 4.030 4.320 0.001 0.000 0.208 64 K C 2.207 178.807 176.600 -0.001 0.000 1.048 64 K CA 2.048 58.395 56.287 0.100 0.000 0.928 64 K CB -0.376 32.165 32.500 0.068 0.000 0.713 64 K HN 0.548 nan 8.250 nan 0.000 0.442 65 E N -0.013 120.157 120.200 -0.049 0.000 2.077 65 E HA -0.247 4.104 4.350 0.001 0.000 0.193 65 E C 2.127 178.702 176.600 -0.042 0.000 0.989 65 E CA 0.994 57.364 56.400 -0.049 0.000 0.800 65 E CB -0.001 29.652 29.700 -0.077 0.000 0.746 65 E HN 0.139 nan 8.360 nan 0.000 0.452 66 R N 0.082 120.538 120.500 -0.074 0.000 2.090 66 R HA -0.051 4.290 4.340 0.001 0.000 0.228 66 R C 2.183 178.439 176.300 -0.074 0.000 1.110 66 R CA 1.402 57.471 56.100 -0.052 0.000 0.973 66 R CB -0.446 29.845 30.300 -0.015 0.000 0.869 66 R HN 0.246 nan 8.270 nan 0.000 0.440 67 M N -0.268 119.233 119.600 -0.164 0.000 2.086 67 M HA -0.102 4.378 4.480 0.001 0.000 0.261 67 M C 1.672 177.993 176.300 0.036 0.000 1.067 67 M CA 2.066 57.290 55.300 -0.126 0.000 1.116 67 M CB -0.695 31.821 32.600 -0.141 0.000 1.348 67 M HN 0.138 nan 8.290 nan 0.000 0.407 68 T N 0.078 114.656 114.554 0.039 0.000 2.788 68 T HA -0.154 4.196 4.350 0.001 0.000 0.268 68 T C 1.716 176.472 174.700 0.093 0.000 1.044 68 T CA 1.745 63.893 62.100 0.080 0.000 1.139 68 T CB -0.255 68.641 68.868 0.046 0.000 0.867 68 T HN 0.513 nan 8.240 nan 0.000 0.454 69 E N 0.497 120.738 120.200 0.069 0.000 2.017 69 E HA -0.025 4.325 4.350 0.001 0.000 0.193 69 E C 2.081 178.756 176.600 0.125 0.000 0.997 69 E CA 0.958 57.405 56.400 0.078 0.000 0.804 69 E CB -0.138 29.595 29.700 0.056 0.000 0.757 69 E HN 0.394 nan 8.360 nan 0.000 0.448 70 L N -0.487 120.822 121.223 0.144 0.000 2.341 70 L HA -0.071 4.270 4.340 0.001 0.000 0.214 70 L C 2.061 179.159 176.870 0.380 0.000 1.115 70 L CA 0.319 55.281 54.840 0.204 0.000 0.820 70 L CB -0.084 42.063 42.059 0.147 0.000 0.944 70 L HN 0.201 nan 8.230 nan 0.000 0.452 71 Y N 0.425 120.834 120.300 0.182 0.000 2.561 71 Y HA -0.052 4.499 4.550 0.001 0.000 0.291 71 Y C 1.059 176.996 175.900 0.060 0.000 1.141 71 Y CA 0.084 58.298 58.100 0.190 0.000 1.303 71 Y CB -0.108 38.390 38.460 0.064 0.000 1.015 71 Y HN 0.064 nan 8.280 nan 0.000 0.547 72 D N 1.100 121.579 120.400 0.131 0.000 2.600 72 D HA 0.043 4.684 4.640 0.001 0.000 0.226 72 D C -1.191 175.151 176.300 0.070 0.000 1.119 72 D CA 0.216 54.221 54.000 0.009 0.000 1.051 72 D CB -1.205 39.624 40.800 0.049 0.000 1.106 72 D HN 0.345 nan 8.370 nan 0.000 0.491 73 Y N -0.916 119.324 120.300 -0.100 0.000 2.553 73 Y HA 0.707 5.257 4.550 0.001 0.000 0.347 73 Y C -2.938 172.900 175.900 -0.103 0.000 1.019 73 Y CA -3.245 54.817 58.100 -0.065 0.000 1.032 73 Y CB 0.605 39.049 38.460 -0.026 0.000 1.284 73 Y HN -0.113 nan 8.280 nan 0.000 0.466 74 P HA 0.190 nan 4.420 nan 0.000 0.268 74 P C -1.388 175.896 177.300 -0.027 0.000 1.204 74 P CA -0.075 63.025 63.100 -0.000 0.000 0.768 74 P CB 0.543 32.396 31.700 0.254 0.000 0.842 75 K N 2.921 123.168 120.400 -0.256 0.000 2.463 75 K HA 0.457 4.778 4.320 0.001 0.000 0.255 75 K C -1.074 175.479 176.600 -0.079 0.000 0.942 75 K CA -0.417 55.798 56.287 -0.119 0.000 0.814 75 K CB 1.227 33.581 32.500 -0.244 0.000 1.122 75 K HN 0.369 nan 8.250 nan 0.000 0.425 76 Y N 0.310 120.747 120.300 0.228 0.000 2.429 76 Y HA 0.300 4.850 4.550 0.001 0.000 0.342 76 Y C 0.702 176.762 175.900 0.265 0.000 1.004 76 Y CA -0.798 57.474 58.100 0.287 0.000 1.075 76 Y CB 2.066 40.636 38.460 0.184 0.000 1.214 76 Y HN 0.583 nan 8.280 nan 0.000 0.455 77 S N 0.878 116.883 115.700 0.508 0.000 2.669 77 S HA 0.354 4.825 4.470 0.001 0.000 0.270 77 S C 0.013 174.858 174.600 0.407 0.000 1.225 77 S CA -0.804 57.666 58.200 0.449 0.000 0.991 77 S CB 0.621 64.172 63.200 0.585 0.000 0.987 77 S HN 0.750 nan 8.310 nan 0.000 0.552 78 C N 2.017 121.521 119.300 0.340 0.000 2.665 78 C HA 0.201 4.662 4.460 0.001 0.000 0.416 78 C C 0.873 175.966 174.990 0.171 0.000 1.305 78 C CA 0.119 59.279 59.018 0.237 0.000 1.903 78 C CB -1.441 26.455 27.740 0.259 0.000 2.704 78 C HN 0.910 nan 8.230 nan 0.000 0.629 79 H N 1.475 120.272 119.070 -0.456 0.000 2.815 79 H HA 0.453 5.010 4.556 0.001 0.000 0.350 79 H C -0.140 175.033 175.328 -0.259 0.000 1.080 79 H CA 0.921 56.598 56.048 -0.620 0.000 1.433 79 H CB 0.277 29.090 29.762 -1.581 0.000 1.432 79 H HN 0.527 nan 8.280 nan 0.000 0.592 80 F N -0.229 119.711 119.950 -0.016 0.000 2.601 80 F HA 0.518 5.046 4.527 0.001 0.000 0.309 80 F C -0.940 174.897 175.800 0.062 0.000 1.089 80 F CA -1.428 56.617 58.000 0.076 0.000 0.940 80 F CB 1.277 40.322 39.000 0.075 0.000 1.273 80 F HN 0.256 nan 8.300 nan 0.000 0.450 81 K N 2.474 122.922 120.400 0.081 0.000 2.185 81 K HA 0.546 4.867 4.320 0.001 0.000 0.269 81 K C -1.244 175.281 176.600 -0.125 0.000 0.987 81 K CA -0.630 55.508 56.287 -0.250 0.000 0.865 81 K CB 0.946 33.185 32.500 -0.434 0.000 1.090 81 K HN 0.626 nan 8.250 nan 0.000 0.450 82 K N 2.841 123.111 120.400 -0.218 0.000 2.541 82 K HA 0.348 4.669 4.320 0.001 0.000 0.250 82 K C 0.069 176.574 176.600 -0.159 0.000 0.950 82 K CA -0.193 55.951 56.287 -0.238 0.000 0.805 82 K CB 1.607 33.706 32.500 -0.669 0.000 1.166 82 K HN 0.898 nan 8.250 nan 0.000 0.430 83 G N 3.619 112.352 108.800 -0.110 0.000 2.591 83 G HA2 -0.402 3.558 3.960 0.001 0.000 0.298 83 G HA3 -0.402 3.558 3.960 0.001 0.000 0.298 83 G C 0.170 174.994 174.900 -0.127 0.000 1.195 83 G CA 0.477 45.526 45.100 -0.084 0.000 0.989 83 G HN 0.560 nan 8.290 nan 0.000 0.551 84 K N 1.069 121.396 120.400 -0.122 0.000 2.410 84 K HA 0.377 4.697 4.320 0.001 0.000 0.200 84 K C 1.004 177.477 176.600 -0.211 0.000 1.023 84 K CA 0.241 56.444 56.287 -0.141 0.000 1.149 84 K CB 0.560 33.009 32.500 -0.085 0.000 0.859 84 K HN 0.433 nan 8.250 nan 0.000 0.514 85 R N -0.086 120.240 120.500 -0.291 0.000 2.803 85 R HA 0.385 4.725 4.340 0.001 0.000 0.276 85 R C -1.131 174.805 176.300 -0.607 0.000 0.978 85 R CA -0.905 54.940 56.100 -0.426 0.000 0.939 85 R CB 1.186 31.161 30.300 -0.542 0.000 1.179 85 R HN -0.057 nan 8.270 nan 0.000 0.472 86 Y N 0.861 120.842 120.300 -0.532 0.000 2.361 86 Y HA 0.441 4.992 4.550 0.001 0.000 0.332 86 Y C -0.337 174.986 175.900 -0.962 0.000 1.101 86 Y CA -0.168 57.633 58.100 -0.497 0.000 1.137 86 Y CB 1.063 39.418 38.460 -0.175 0.000 1.207 86 Y HN 0.355 nan 8.280 nan 0.000 0.463 87 F N 2.054 121.551 119.950 -0.755 0.000 2.577 87 F HA 0.614 5.141 4.527 0.001 0.000 0.318 87 F C -0.940 174.265 175.800 -0.992 0.000 1.065 87 F CA -1.367 55.998 58.000 -1.058 0.000 0.929 87 F CB 1.850 39.941 39.000 -1.514 0.000 1.237 87 F HN 0.410 nan 8.300 nan 0.000 0.468 88 Y N -0.828 119.124 120.300 -0.581 0.000 2.604 88 Y HA 0.684 5.234 4.550 0.001 0.000 0.331 88 Y C -2.183 173.636 175.900 -0.134 0.000 1.158 88 Y CA -2.284 55.635 58.100 -0.301 0.000 1.056 88 Y CB 0.613 38.798 38.460 -0.458 0.000 1.330 88 Y HN 0.389 nan 8.280 nan 0.000 0.457 89 F N 2.858 123.023 119.950 0.359 0.000 2.379 89 F HA 0.593 5.120 4.527 0.001 0.000 0.332 89 F C -0.538 175.529 175.800 0.445 0.000 1.096 89 F CA -0.447 57.736 58.000 0.305 0.000 1.105 89 F CB 1.329 40.477 39.000 0.245 0.000 1.189 89 F HN 0.608 nan 8.300 nan 0.000 0.515 90 Y N 2.896 123.414 120.300 0.363 0.000 2.482 90 Y HA 0.389 4.939 4.550 0.001 0.000 0.334 90 Y C -1.703 174.226 175.900 0.049 0.000 1.091 90 Y CA -1.419 56.745 58.100 0.106 0.000 1.027 90 Y CB 1.399 39.885 38.460 0.043 0.000 1.306 90 Y HN 0.599 nan 8.280 nan 0.000 0.446 91 N N 2.836 121.109 118.700 -0.711 0.000 2.346 91 N HA 0.176 4.916 4.740 0.001 0.000 0.289 91 N C 0.585 175.447 175.510 -1.080 0.000 1.027 91 N CA 0.388 53.005 53.050 -0.721 0.000 0.864 91 N CB 2.193 40.444 38.487 -0.394 0.000 1.370 91 N HN 0.894 nan 8.380 nan 0.000 0.481 92 T N 0.314 114.327 114.554 -0.901 0.000 2.803 92 T HA 0.061 4.411 4.350 0.001 0.000 0.269 92 T C 1.168 175.664 174.700 -0.340 0.000 1.052 92 T CA 1.687 63.457 62.100 -0.550 0.000 1.136 92 T CB 0.093 68.813 68.868 -0.247 0.000 0.864 92 T HN 0.655 nan 8.240 nan 0.000 0.467 93 G N 0.563 109.145 108.800 -0.364 0.000 4.203 93 G HA2 0.063 4.023 3.960 0.001 0.000 0.197 93 G HA3 0.063 4.023 3.960 0.001 0.000 0.197 93 G C 0.703 175.409 174.900 -0.323 0.000 1.112 93 G CA 0.004 44.887 45.100 -0.362 0.000 0.856 93 G HN 0.420 nan 8.290 nan 0.000 0.317 94 L N 1.613 122.727 121.223 -0.182 0.000 2.808 94 L HA 0.373 4.714 4.340 0.001 0.000 0.246 94 L C 0.848 177.679 176.870 -0.065 0.000 1.153 94 L CA -0.079 54.710 54.840 -0.085 0.000 0.956 94 L CB 0.618 42.662 42.059 -0.025 0.000 1.270 94 L HN 0.218 nan 8.230 nan 0.000 0.528 95 Q N 0.612 120.346 119.800 -0.110 0.000 2.315 95 Q HA -0.032 4.308 4.340 0.001 0.000 0.289 95 Q C 0.641 176.613 176.000 -0.046 0.000 1.044 95 Q CA -0.200 55.555 55.803 -0.079 0.000 0.920 95 Q CB 0.754 29.426 28.738 -0.110 0.000 1.214 95 Q HN 0.181 nan 8.270 nan 0.000 0.392 96 N N 1.092 119.781 118.700 -0.018 0.000 2.104 96 N HA -0.132 4.609 4.740 0.001 0.000 0.190 96 N C -0.168 175.344 175.510 0.004 0.000 1.024 96 N CA 1.360 54.413 53.050 0.004 0.000 0.853 96 N CB 0.316 38.807 38.487 0.007 0.000 1.008 96 N HN 0.503 nan 8.380 nan 0.000 0.424 97 Q N 0.404 120.200 119.800 -0.007 0.000 2.375 97 Q HA 0.295 4.636 4.340 0.001 0.000 0.271 97 Q C -0.442 175.557 176.000 -0.002 0.000 1.074 97 Q CA -0.550 55.255 55.803 0.003 0.000 0.808 97 Q CB 2.476 31.224 28.738 0.017 0.000 1.327 97 Q HN 0.292 nan 8.270 nan 0.000 0.441 98 R N -0.194 120.318 120.500 0.020 0.000 2.643 98 R HA 0.467 4.807 4.340 0.001 0.000 0.270 98 R C -0.128 176.272 176.300 0.167 0.000 1.061 98 R CA -0.491 55.653 56.100 0.073 0.000 1.107 98 R CB 0.077 30.449 30.300 0.120 0.000 0.999 98 R HN 0.168 nan 8.270 nan 0.000 0.460 99 V N 3.248 123.268 119.914 0.176 0.000 2.483 99 V HA 0.157 4.278 4.120 0.001 0.000 0.295 99 V C -0.248 175.865 176.094 0.031 0.000 1.035 99 V CA -1.061 61.270 62.300 0.053 0.000 0.896 99 V CB 1.529 33.281 31.823 -0.118 0.000 0.986 99 V HN 0.507 nan 8.190 nan 0.000 0.447 100 L N 5.959 127.081 121.223 -0.169 0.000 2.313 100 L HA 0.434 4.775 4.340 0.001 0.000 0.282 100 L C -0.865 175.710 176.870 -0.491 0.000 1.092 100 L CA 0.365 54.918 54.840 -0.478 0.000 0.831 100 L CB -0.056 41.709 42.059 -0.489 0.000 1.159 100 L HN 0.523 nan 8.230 nan 0.000 0.442 101 Y N 3.449 123.387 120.300 -0.603 0.000 2.457 101 Y HA 0.647 5.197 4.550 0.001 0.000 0.333 101 Y C -0.105 175.387 175.900 -0.681 0.000 1.119 101 Y CA -0.400 57.312 58.100 -0.646 0.000 1.143 101 Y CB 2.059 39.879 38.460 -1.068 0.000 1.230 101 Y HN 0.396 nan 8.280 nan 0.000 0.469 102 V N 3.704 123.386 119.914 -0.387 0.000 2.735 102 V HA 0.574 4.695 4.120 0.001 0.000 0.310 102 V C -1.543 174.316 176.094 -0.392 0.000 1.061 102 V CA -0.433 61.458 62.300 -0.682 0.000 0.913 102 V CB 1.814 33.150 31.823 -0.811 0.000 1.005 102 V HN 0.883 nan 8.190 nan 0.000 0.428 103 Q N 3.278 122.834 119.800 -0.407 0.000 2.345 103 Q HA 0.496 4.836 4.340 0.001 0.000 0.275 103 Q C -0.904 174.988 176.000 -0.180 0.000 1.063 103 Q CA -0.879 54.813 55.803 -0.185 0.000 0.819 103 Q CB 2.217 30.936 28.738 -0.031 0.000 1.356 103 Q HN 0.593 nan 8.270 nan 0.000 0.418 104 D N 1.090 121.417 120.400 -0.121 0.000 2.312 104 D HA -0.034 4.607 4.640 0.001 0.000 0.211 104 D C 0.336 176.635 176.300 -0.001 0.000 0.964 104 D CA 1.366 55.310 54.000 -0.094 0.000 0.877 104 D CB 0.478 41.233 40.800 -0.076 0.000 0.924 104 D HN 0.638 nan 8.370 nan 0.000 0.515 105 S N -1.106 114.625 115.700 0.050 0.000 2.625 105 S HA 0.239 4.709 4.470 0.001 0.000 0.271 105 S C 0.274 174.880 174.600 0.011 0.000 1.161 105 S CA -0.772 57.495 58.200 0.111 0.000 0.820 105 S CB 1.483 64.706 63.200 0.037 0.000 1.137 105 S HN -0.124 nan 8.310 nan 0.000 0.470 106 L N 0.928 122.074 121.223 -0.128 0.000 2.275 106 L HA 0.241 4.582 4.340 0.001 0.000 0.215 106 L C 1.902 178.647 176.870 -0.210 0.000 1.119 106 L CA 1.868 56.477 54.840 -0.384 0.000 0.790 106 L CB -0.805 40.976 42.059 -0.463 0.000 0.919 106 L HN 0.877 nan 8.230 nan 0.000 0.443 107 E N -1.643 118.484 120.200 -0.121 0.000 2.526 107 E HA 0.191 4.541 4.350 0.001 0.000 0.208 107 E C 0.941 177.492 176.600 -0.080 0.000 0.997 107 E CA 0.201 56.539 56.400 -0.104 0.000 0.961 107 E CB 0.326 29.978 29.700 -0.080 0.000 1.030 107 E HN 0.432 nan 8.360 nan 0.000 0.483 108 G N 1.164 109.927 108.800 -0.061 0.000 2.599 108 G HA2 0.040 4.000 3.960 0.001 0.000 0.264 108 G HA3 0.040 4.000 3.960 0.001 0.000 0.264 108 G C -0.349 174.524 174.900 -0.045 0.000 1.200 108 G CA -0.444 44.628 45.100 -0.046 0.000 0.896 108 G HN 0.019 nan 8.290 nan 0.000 0.536 109 E N -0.298 119.879 120.200 -0.038 0.000 2.344 109 E HA 0.405 4.756 4.350 0.001 0.000 0.270 109 E C 0.226 176.817 176.600 -0.016 0.000 1.021 109 E CA -0.421 55.962 56.400 -0.029 0.000 0.887 109 E CB 0.713 30.399 29.700 -0.024 0.000 0.997 109 E HN 0.500 nan 8.360 nan 0.000 0.429 110 A N 5.185 128.008 122.820 0.005 0.000 2.310 110 A HA 0.456 4.776 4.320 0.001 0.000 0.299 110 A C -0.279 177.361 177.584 0.094 0.000 1.147 110 A CA -0.581 51.483 52.037 0.045 0.000 0.818 110 A CB 0.590 19.641 19.000 0.085 0.000 1.096 110 A HN 0.751 nan 8.150 nan 0.000 0.495 111 R N 1.141 121.704 120.500 0.105 0.000 2.837 111 R HA 0.658 4.999 4.340 0.001 0.000 0.271 111 R C -1.532 174.792 176.300 0.040 0.000 0.993 111 R CA -0.761 55.403 56.100 0.106 0.000 0.931 111 R CB 1.012 31.323 30.300 0.019 0.000 1.206 111 R HN 0.296 nan 8.270 nan 0.000 0.474 112 V N 3.060 122.906 119.914 -0.114 0.000 2.540 112 V HA -0.027 4.094 4.120 0.001 0.000 0.297 112 V C 0.471 176.431 176.094 -0.223 0.000 1.024 112 V CA 0.497 62.539 62.300 -0.430 0.000 1.105 112 V CB 0.117 31.732 31.823 -0.348 0.000 0.938 112 V HN 0.758 nan 8.190 nan 0.000 0.482 113 F N 5.642 125.335 119.950 -0.428 0.000 2.490 113 F HA 0.465 4.992 4.527 0.001 0.000 0.280 113 F C 0.311 175.929 175.800 -0.303 0.000 1.030 113 F CA 0.305 58.122 58.000 -0.305 0.000 1.367 113 F CB 0.601 39.440 39.000 -0.269 0.000 1.131 113 F HN 0.354 nan 8.300 nan 0.000 0.632 114 L N 1.493 122.490 121.223 -0.377 0.000 2.491 114 L HA 0.374 4.714 4.340 0.001 0.000 0.267 114 L C -1.776 174.936 176.870 -0.263 0.000 0.971 114 L CA -0.416 54.183 54.840 -0.402 0.000 0.857 114 L CB 1.082 42.885 42.059 -0.428 0.000 1.226 114 L HN -0.000 nan 8.230 nan 0.000 0.408 115 D N 6.322 126.586 120.400 -0.228 0.000 2.454 115 D HA 0.464 5.105 4.640 0.001 0.000 0.225 115 D C -2.008 174.236 176.300 -0.093 0.000 1.081 115 D CA -2.068 51.839 54.000 -0.154 0.000 0.864 115 D CB 2.028 42.736 40.800 -0.152 0.000 1.040 115 D HN 0.318 nan 8.370 nan 0.000 0.517 116 P HA 0.004 nan 4.420 nan 0.000 0.229 116 P C 1.007 178.302 177.300 -0.010 0.000 1.160 116 P CA 0.402 63.495 63.100 -0.012 0.000 0.777 116 P CB 0.356 32.071 31.700 0.025 0.000 0.814 117 N N 0.404 119.092 118.700 -0.020 0.000 2.223 117 N HA -0.107 4.633 4.740 0.001 0.000 0.185 117 N C 1.656 177.156 175.510 -0.017 0.000 1.016 117 N CA 1.205 54.245 53.050 -0.016 0.000 0.863 117 N CB -0.393 38.081 38.487 -0.022 0.000 0.983 117 N HN 0.338 nan 8.380 nan 0.000 0.429 118 I N -1.753 118.801 120.570 -0.026 0.000 3.444 118 I HA 0.023 4.193 4.170 0.001 0.000 0.287 118 I C 1.259 177.367 176.117 -0.014 0.000 1.302 118 I CA 0.638 61.923 61.300 -0.024 0.000 1.368 118 I CB -0.167 37.811 38.000 -0.036 0.000 1.048 118 I HN -0.074 nan 8.210 nan 0.000 0.487 119 L N 0.268 121.487 121.223 -0.007 0.000 2.592 119 L HA 0.278 4.618 4.340 0.001 0.000 0.227 119 L C 0.816 177.689 176.870 0.004 0.000 1.127 119 L CA 0.040 54.882 54.840 0.004 0.000 0.884 119 L CB -0.131 41.939 42.059 0.018 0.000 1.065 119 L HN 0.385 nan 8.230 nan 0.000 0.457 120 S N -1.618 114.082 115.700 0.000 0.000 2.537 120 S HA 0.228 4.699 4.470 0.001 0.000 0.271 120 S C -0.305 174.294 174.600 -0.001 0.000 1.148 120 S CA -0.612 57.587 58.200 -0.000 0.000 0.868 120 S CB 1.732 64.932 63.200 0.000 0.000 1.115 120 S HN 0.045 nan 8.310 nan 0.000 0.461 121 D N 1.237 121.637 120.400 -0.001 0.000 2.317 121 D HA 0.076 4.716 4.640 0.001 0.000 0.211 121 D C 0.543 176.845 176.300 0.002 0.000 0.966 121 D CA 1.230 55.230 54.000 0.000 0.000 0.876 121 D CB 0.203 41.004 40.800 0.002 0.000 0.927 121 D HN 0.683 nan 8.370 nan 0.000 0.519 122 D N -2.248 118.154 120.400 0.002 0.000 2.620 122 D HA 0.191 4.831 4.640 0.001 0.000 0.260 122 D C 1.158 177.462 176.300 0.006 0.000 1.367 122 D CA -0.119 53.885 54.000 0.006 0.000 0.805 122 D CB -0.287 40.518 40.800 0.007 0.000 1.096 122 D HN 0.023 nan 8.370 nan 0.000 0.488 123 G N 1.221 110.023 108.800 0.004 0.000 2.258 123 G HA2 -0.343 3.618 3.960 0.001 0.000 0.274 123 G HA3 -0.343 3.618 3.960 0.001 0.000 0.274 123 G C 0.897 175.802 174.900 0.008 0.000 1.021 123 G CA 1.095 46.199 45.100 0.007 0.000 0.798 123 G HN 0.635 nan 8.290 nan 0.000 0.507 124 T N -3.204 111.351 114.554 0.001 0.000 3.122 124 T HA 0.499 4.849 4.350 0.001 0.000 0.250 124 T C 0.616 175.312 174.700 -0.006 0.000 1.067 124 T CA 0.340 62.436 62.100 -0.006 0.000 0.966 124 T CB 1.007 69.859 68.868 -0.027 0.000 1.002 124 T HN 0.484 nan 8.240 nan 0.000 0.542 125 V N 2.144 122.062 119.914 0.006 0.000 2.383 125 V HA 0.769 4.890 4.120 0.001 0.000 0.275 125 V C 0.218 176.333 176.094 0.035 0.000 1.036 125 V CA -0.802 61.510 62.300 0.020 0.000 0.889 125 V CB 0.530 32.366 31.823 0.022 0.000 0.985 125 V HN 0.675 nan 8.190 nan 0.000 0.459 126 A N 4.854 127.702 122.820 0.047 0.000 2.401 126 A HA 0.841 5.161 4.320 0.001 0.000 0.310 126 A C -0.935 176.701 177.584 0.087 0.000 1.075 126 A CA -0.765 51.307 52.037 0.058 0.000 0.746 126 A CB 1.489 20.518 19.000 0.048 0.000 1.277 126 A HN 0.800 nan 8.150 nan 0.000 0.425 127 L N 1.273 122.560 121.223 0.106 0.000 2.410 127 L HA 0.462 4.802 4.340 0.001 0.000 0.273 127 L C 0.483 177.433 176.870 0.133 0.000 1.152 127 L CA 0.759 55.694 54.840 0.159 0.000 0.855 127 L CB 0.194 42.373 42.059 0.200 0.000 1.129 127 L HN 0.676 nan 8.230 nan 0.000 0.463 128 R N 4.487 125.072 120.500 0.140 0.000 2.576 128 R HA 0.539 4.880 4.340 0.001 0.000 0.283 128 R C -0.605 175.760 176.300 0.108 0.000 1.493 128 R CA 0.117 56.281 56.100 0.106 0.000 1.170 128 R CB 0.623 30.966 30.300 0.073 0.000 1.189 128 R HN 1.048 nan 8.270 nan 0.000 0.542 129 G N 3.031 111.910 108.800 0.132 0.000 2.722 129 G HA2 -0.241 3.719 3.960 0.001 0.000 0.686 129 G HA3 -0.241 3.719 3.960 0.001 0.000 0.686 129 G C -1.424 173.579 174.900 0.171 0.000 1.282 129 G CA -0.184 44.958 45.100 0.070 0.000 0.817 129 G HN 0.725 nan 8.290 nan 0.000 0.605 130 Y N -2.204 118.134 120.300 0.063 0.000 2.641 130 Y HA 0.868 5.419 4.550 0.001 0.000 0.333 130 Y C -0.323 175.616 175.900 0.064 0.000 1.174 130 Y CA -1.079 57.013 58.100 -0.014 0.000 1.057 130 Y CB 0.917 39.448 38.460 0.117 0.000 1.322 130 Y HN 2.180 nan 8.280 nan 0.000 0.457 131 A N 2.407 125.330 122.820 0.172 0.000 2.437 131 A HA 0.722 5.043 4.320 0.001 0.000 0.293 131 A C -2.009 175.828 177.584 0.422 0.000 1.038 131 A CA -0.625 51.629 52.037 0.363 0.000 0.708 131 A CB 0.545 19.785 19.000 0.399 0.000 1.251 131 A HN 0.602 nan 8.150 nan 0.000 0.409 132 F N 1.821 122.031 119.950 0.433 0.000 2.371 132 F HA 0.458 4.986 4.527 0.001 0.000 0.329 132 F C 1.592 177.274 175.800 -0.196 0.000 1.107 132 F CA 0.529 58.642 58.000 0.189 0.000 1.137 132 F CB 1.481 40.554 39.000 0.121 0.000 1.214 132 F HN 0.674 nan 8.300 nan 0.000 0.536 133 S N 0.610 115.988 115.700 -0.537 0.000 2.589 133 S HA 0.028 4.498 4.470 0.001 0.000 0.265 133 S C 1.129 175.641 174.600 -0.147 0.000 1.342 133 S CA -0.449 57.331 58.200 -0.701 0.000 1.005 133 S CB 1.007 63.735 63.200 -0.787 0.000 0.909 133 S HN 0.725 nan 8.310 nan 0.000 0.555 134 E N 1.391 121.524 120.200 -0.112 0.000 2.070 134 E HA -0.238 4.112 4.350 0.001 0.000 0.197 134 E C 1.251 177.805 176.600 -0.077 0.000 1.004 134 E CA 2.111 58.416 56.400 -0.158 0.000 0.805 134 E CB -0.473 28.988 29.700 -0.398 0.000 0.744 134 E HN 0.875 nan 8.360 nan 0.000 0.451 135 D N -1.237 119.138 120.400 -0.042 0.000 2.349 135 D HA 0.068 4.708 4.640 0.001 0.000 0.224 135 D C 1.235 177.533 176.300 -0.003 0.000 1.029 135 D CA 0.787 54.782 54.000 -0.009 0.000 0.879 135 D CB -0.322 40.491 40.800 0.021 0.000 0.906 135 D HN 0.358 nan 8.370 nan 0.000 0.528 136 G N 0.548 109.351 108.800 0.005 0.000 2.166 136 G HA2 -0.323 3.637 3.960 0.001 0.000 0.260 136 G HA3 -0.323 3.637 3.960 0.001 0.000 0.260 136 G C 0.872 175.826 174.900 0.089 0.000 0.986 136 G CA 0.434 45.560 45.100 0.044 0.000 0.683 136 G HN 0.375 nan 8.290 nan 0.000 0.527 137 E N -1.302 118.931 120.200 0.055 0.000 2.400 137 E HA 0.196 4.547 4.350 0.001 0.000 0.195 137 E C 0.236 176.714 176.600 -0.204 0.000 1.012 137 E CA 0.512 56.891 56.400 -0.035 0.000 0.875 137 E CB 0.262 29.950 29.700 -0.020 0.000 0.859 137 E HN 0.654 nan 8.360 nan 0.000 0.498 138 Y N -0.887 119.409 120.300 -0.007 0.000 2.536 138 Y HA 0.434 4.984 4.550 0.001 0.000 0.347 138 Y C -0.770 175.165 175.900 0.059 0.000 1.000 138 Y CA -1.240 56.863 58.100 0.006 0.000 1.051 138 Y CB 1.657 39.999 38.460 -0.196 0.000 1.259 138 Y HN -0.226 nan 8.280 nan 0.000 0.468 139 F N 1.965 122.051 119.950 0.227 0.000 2.547 139 F HA 0.838 5.366 4.527 0.001 0.000 0.316 139 F C -1.100 174.870 175.800 0.283 0.000 1.121 139 F CA -1.112 56.911 58.000 0.038 0.000 0.911 139 F CB 1.134 40.117 39.000 -0.029 0.000 1.179 139 F HN 0.511 nan 8.300 nan 0.000 0.443 140 A N 5.522 128.142 122.820 -0.333 0.000 2.350 140 A HA 0.796 5.116 4.320 0.001 0.000 0.324 140 A C -2.088 174.975 177.584 -0.868 0.000 1.118 140 A CA -0.494 51.116 52.037 -0.712 0.000 0.783 140 A CB 0.787 19.430 19.000 -0.595 0.000 1.236 140 A HN 0.927 nan 8.150 nan 0.000 0.457 141 Y N -0.493 119.294 120.300 -0.854 0.000 2.513 141 Y HA 0.723 5.274 4.550 0.001 0.000 0.340 141 Y C 0.073 175.797 175.900 -0.293 0.000 1.055 141 Y CA -1.087 56.700 58.100 -0.521 0.000 1.020 141 Y CB 0.814 38.999 38.460 -0.458 0.000 1.301 141 Y HN 0.840 nan 8.280 nan 0.000 0.453 142 G N 3.427 112.192 108.800 -0.059 0.000 2.377 142 G HA2 0.594 4.554 3.960 0.001 0.000 0.299 142 G HA3 0.594 4.554 3.960 0.001 0.000 0.299 142 G C -1.413 173.521 174.900 0.056 0.000 1.150 142 G CA -0.932 44.129 45.100 -0.066 0.000 0.847 142 G HN 0.739 nan 8.290 nan 0.000 0.501 143 L N 1.280 122.510 121.223 0.012 0.000 2.365 143 L HA 0.509 4.849 4.340 0.001 0.000 0.273 143 L C 0.014 176.916 176.870 0.052 0.000 1.000 143 L CA -0.646 54.236 54.840 0.069 0.000 0.819 143 L CB 2.357 44.460 42.059 0.073 0.000 1.284 143 L HN 0.414 nan 8.230 nan 0.000 0.418 144 S N 1.495 117.234 115.700 0.064 0.000 2.482 144 S HA 0.771 5.241 4.470 0.001 0.000 0.303 144 S C -0.384 174.244 174.600 0.048 0.000 1.091 144 S CA -0.591 57.648 58.200 0.065 0.000 1.057 144 S CB 1.967 65.207 63.200 0.067 0.000 1.031 144 S HN 0.651 nan 8.310 nan 0.000 0.485 145 A N 1.660 124.505 122.820 0.042 0.000 2.305 145 A HA 0.701 5.021 4.320 0.001 0.000 0.322 145 A C 0.644 178.195 177.584 -0.055 0.000 1.187 145 A CA -0.553 51.483 52.037 -0.003 0.000 0.825 145 A CB 0.087 19.083 19.000 -0.007 0.000 1.164 145 A HN 1.259 nan 8.150 nan 0.000 0.498 146 S N 0.893 116.528 115.700 -0.109 0.000 3.533 146 S HA -0.173 4.298 4.470 0.001 0.000 0.347 146 S C 1.406 175.946 174.600 -0.100 0.000 1.101 146 S CA 1.768 59.839 58.200 -0.215 0.000 1.009 146 S CB -1.691 61.127 63.200 -0.637 0.000 0.916 146 S HN 2.791 nan 8.310 nan 0.000 0.496 147 G N -0.018 108.783 108.800 0.002 0.000 2.184 147 G HA2 -0.334 3.627 3.960 0.001 0.000 0.264 147 G HA3 -0.334 3.627 3.960 0.001 0.000 0.264 147 G C 0.212 175.179 174.900 0.110 0.000 0.975 147 G CA 0.866 46.005 45.100 0.066 0.000 0.642 147 G HN 1.694 nan 8.290 nan 0.000 0.536 148 S N -0.199 115.576 115.700 0.125 0.000 2.579 148 S HA 0.338 4.809 4.470 0.001 0.000 0.275 148 S C 1.333 175.976 174.600 0.072 0.000 1.345 148 S CA 0.592 58.886 58.200 0.157 0.000 1.031 148 S CB 0.711 64.072 63.200 0.268 0.000 0.892 148 S HN 0.180 nan 8.310 nan 0.000 0.529 149 D N 2.174 122.545 120.400 -0.047 0.000 2.269 149 D HA 0.005 4.645 4.640 0.001 0.000 0.208 149 D C -0.008 176.129 176.300 -0.272 0.000 0.963 149 D CA 0.389 54.257 54.000 -0.219 0.000 0.864 149 D CB -0.057 40.481 40.800 -0.437 0.000 0.936 149 D HN 0.632 nan 8.370 nan 0.000 0.505 150 W N 0.713 121.946 121.300 -0.112 0.000 2.257 150 W HA 0.139 4.800 4.660 0.001 0.000 0.337 150 W C 0.249 176.734 176.519 -0.057 0.000 1.321 150 W CA -0.331 56.962 57.345 -0.088 0.000 1.267 150 W CB 0.624 30.060 29.460 -0.041 0.000 1.187 150 W HN -0.367 nan 8.180 nan 0.000 0.565 151 V N 2.914 122.985 119.914 0.262 0.000 2.735 151 V HA 0.425 4.545 4.120 0.001 0.000 0.310 151 V C -0.199 175.939 176.094 0.074 0.000 1.061 151 V CA -0.940 61.430 62.300 0.117 0.000 0.913 151 V CB 2.316 34.175 31.823 0.059 0.000 1.005 151 V HN 0.408 nan 8.190 nan 0.000 0.428 152 T N 5.363 119.913 114.554 -0.008 0.000 2.770 152 T HA 0.604 4.955 4.350 0.001 0.000 0.283 152 T C -0.234 174.348 174.700 -0.196 0.000 0.988 152 T CA -0.096 61.951 62.100 -0.087 0.000 0.957 152 T CB 0.662 69.481 68.868 -0.082 0.000 0.930 152 T HN 0.369 nan 8.240 nan 0.000 0.443 153 I N 3.806 124.210 120.570 -0.276 0.000 2.371 153 I HA 0.360 4.530 4.170 0.001 0.000 0.290 153 I C 0.616 176.407 176.117 -0.543 0.000 1.028 153 I CA -0.356 60.662 61.300 -0.469 0.000 1.345 153 I CB 0.738 38.435 38.000 -0.505 0.000 1.407 153 I HN 0.326 nan 8.210 nan 0.000 0.501 154 K N 5.213 125.092 120.400 -0.869 0.000 2.352 154 K HA 0.686 5.006 4.320 0.001 0.000 0.240 154 K C -1.383 174.698 176.600 -0.865 0.000 1.017 154 K CA -0.786 55.071 56.287 -0.717 0.000 0.851 154 K CB 2.280 34.339 32.500 -0.735 0.000 1.261 154 K HN 0.216 nan 8.250 nan 0.000 0.451 155 F N 0.756 120.588 119.950 -0.197 0.000 2.563 155 F HA 0.540 5.068 4.527 0.001 0.000 0.316 155 F C -0.184 175.777 175.800 0.269 0.000 1.076 155 F CA -0.744 57.306 58.000 0.084 0.000 0.921 155 F CB 1.899 40.978 39.000 0.132 0.000 1.209 155 F HN 0.140 nan 8.300 nan 0.000 0.462 156 M N 2.015 121.956 119.600 0.568 0.000 2.446 156 M HA 0.319 4.800 4.480 0.001 0.000 0.294 156 M C -0.943 175.604 176.300 0.411 0.000 1.158 156 M CA -0.814 54.751 55.300 0.442 0.000 0.899 156 M CB 2.842 35.676 32.600 0.390 0.000 1.687 156 M HN 0.463 nan 8.290 nan 0.000 0.455 157 K N 1.778 122.308 120.400 0.217 0.000 2.312 157 K HA 0.307 4.627 4.320 0.001 0.000 0.287 157 K C 0.390 177.017 176.600 0.045 0.000 1.062 157 K CA -0.268 55.964 56.287 -0.091 0.000 0.934 157 K CB 1.182 33.596 32.500 -0.142 0.000 1.027 157 K HN 0.595 nan 8.250 nan 0.000 0.478 158 V N 2.795 122.743 119.914 0.056 0.000 2.261 158 V HA -0.224 3.897 4.120 0.001 0.000 0.246 158 V C 0.678 176.889 176.094 0.195 0.000 1.047 158 V CA 1.624 64.098 62.300 0.290 0.000 1.015 158 V CB -0.465 31.470 31.823 0.188 0.000 0.642 158 V HN 0.874 nan 8.190 nan 0.000 0.446 159 D N -0.088 120.330 120.400 0.030 0.000 2.368 159 D HA 0.352 4.992 4.640 0.001 0.000 0.268 159 D C 1.033 177.347 176.300 0.023 0.000 1.298 159 D CA 1.200 55.206 54.000 0.011 0.000 0.938 159 D CB 0.069 40.852 40.800 -0.030 0.000 1.101 159 D HN 0.484 nan 8.370 nan 0.000 0.509 160 G N 3.174 111.998 108.800 0.040 0.000 2.176 160 G HA2 -0.143 3.817 3.960 0.001 0.000 0.253 160 G HA3 -0.143 3.817 3.960 0.001 0.000 0.253 160 G C 0.792 175.707 174.900 0.025 0.000 0.979 160 G CA 0.351 45.466 45.100 0.026 0.000 0.641 160 G HN 1.679 nan 8.290 nan 0.000 0.530 161 A N -1.093 121.769 122.820 0.069 0.000 2.640 161 A HA -0.136 4.184 4.320 0.001 0.000 0.300 161 A C 0.805 178.354 177.584 -0.058 0.000 1.499 161 A CA 2.172 54.189 52.037 -0.033 0.000 0.759 161 A CB -1.208 17.692 19.000 -0.166 0.000 1.048 161 A HN 0.925 nan 8.150 nan 0.000 0.450 162 K N 0.760 121.168 120.400 0.014 0.000 2.234 162 K HA 0.269 4.590 4.320 0.001 0.000 0.282 162 K C 0.266 176.912 176.600 0.076 0.000 1.039 162 K CA -0.314 55.994 56.287 0.035 0.000 0.928 162 K CB 0.848 33.377 32.500 0.048 0.000 1.039 162 K HN 0.678 nan 8.250 nan 0.000 0.470 163 E N 2.760 123.001 120.200 0.068 0.000 2.344 163 E HA 0.125 4.475 4.350 0.001 0.000 0.270 163 E C -0.366 176.312 176.600 0.131 0.000 1.021 163 E CA -0.095 56.370 56.400 0.109 0.000 0.887 163 E CB 0.633 30.378 29.700 0.075 0.000 0.997 163 E HN 0.261 nan 8.360 nan 0.000 0.429 164 L N 4.971 126.303 121.223 0.181 0.000 2.330 164 L HA 0.338 4.679 4.340 0.001 0.000 0.271 164 L C -1.324 175.619 176.870 0.121 0.000 1.013 164 L CA -1.862 53.080 54.840 0.170 0.000 0.816 164 L CB 1.171 43.379 42.059 0.248 0.000 1.287 164 L HN 0.488 nan 8.230 nan 0.000 0.435 165 P HA -0.091 nan 4.420 nan 0.000 0.220 165 P C -0.330 176.985 177.300 0.026 0.000 1.148 165 P CA 0.579 63.702 63.100 0.040 0.000 0.803 165 P CB -0.138 31.575 31.700 0.021 0.000 0.782 166 D N 0.347 120.762 120.400 0.025 0.000 2.472 166 D HA 0.168 4.808 4.640 0.001 0.000 0.248 166 D C -0.160 176.155 176.300 0.026 0.000 1.174 166 D CA 0.565 54.548 54.000 -0.028 0.000 0.883 166 D CB 0.329 40.982 40.800 -0.246 0.000 1.149 166 D HN -0.092 nan 8.370 nan 0.000 0.488 167 V N 3.804 123.663 119.914 -0.091 0.000 2.638 167 V HA 0.360 4.481 4.120 0.001 0.000 0.306 167 V C -0.290 175.670 176.094 -0.223 0.000 1.052 167 V CA -0.846 61.381 62.300 -0.123 0.000 0.885 167 V CB 1.646 33.413 31.823 -0.093 0.000 0.999 167 V HN 0.386 nan 8.190 nan 0.000 0.424 168 L N 4.674 125.735 121.223 -0.270 0.000 2.325 168 L HA 0.664 5.005 4.340 0.001 0.000 0.281 168 L C -0.094 176.661 176.870 -0.191 0.000 1.004 168 L CA -0.471 54.167 54.840 -0.337 0.000 0.823 168 L CB 1.739 43.420 42.059 -0.630 0.000 1.236 168 L HN 0.558 nan 8.230 nan 0.000 0.415 169 E N 2.899 123.032 120.200 -0.111 0.000 2.243 169 E HA 0.464 4.814 4.350 0.001 0.000 0.260 169 E C -0.187 176.437 176.600 0.040 0.000 0.985 169 E CA -0.848 55.520 56.400 -0.054 0.000 0.858 169 E CB 1.542 31.192 29.700 -0.082 0.000 1.210 169 E HN 0.394 nan 8.360 nan 0.000 0.411 170 R N -1.135 119.384 120.500 0.033 0.000 3.651 170 R HA -0.130 4.210 4.340 0.001 0.000 0.292 170 R C -0.471 176.131 176.300 0.504 0.000 1.161 170 R CA 0.179 56.376 56.100 0.161 0.000 0.787 170 R CB -2.318 28.057 30.300 0.125 0.000 1.249 170 R HN 0.193 nan 8.270 nan 0.000 0.476 171 V N 1.309 121.474 119.914 0.418 0.000 2.432 171 V HA 0.390 4.511 4.120 0.001 0.000 0.275 171 V C 0.535 176.837 176.094 0.347 0.000 1.043 171 V CA 0.076 62.603 62.300 0.379 0.000 0.925 171 V CB 1.679 33.631 31.823 0.214 0.000 0.985 171 V HN 0.149 nan 8.190 nan 0.000 0.466 172 K N 4.081 124.625 120.400 0.240 0.000 2.557 172 K HA 0.405 4.725 4.320 0.001 0.000 0.257 172 K C -1.092 175.495 176.600 -0.022 0.000 0.933 172 K CA -0.776 55.419 56.287 -0.153 0.000 0.820 172 K CB 1.258 33.389 32.500 -0.614 0.000 1.330 172 K HN 0.357 nan 8.250 nan 0.000 0.432 173 F N -0.177 119.837 119.950 0.107 0.000 2.943 173 F HA -0.231 4.296 4.527 0.001 0.000 0.258 173 F C 0.177 176.041 175.800 0.106 0.000 0.995 173 F CA 0.874 58.932 58.000 0.095 0.000 0.896 173 F CB -1.937 37.125 39.000 0.104 0.000 0.821 173 F HN 0.325 nan 8.300 nan 0.000 0.828 174 S N -0.256 115.576 115.700 0.220 0.000 2.578 174 S HA 0.768 5.238 4.470 0.001 0.000 0.301 174 S C 0.416 175.116 174.600 0.168 0.000 1.091 174 S CA -0.336 57.981 58.200 0.195 0.000 1.032 174 S CB 1.282 64.612 63.200 0.218 0.000 1.064 174 S HN 0.675 nan 8.310 nan 0.000 0.508 175 C N 3.360 122.763 119.300 0.171 0.000 2.553 175 C HA 0.764 5.224 4.460 0.001 0.000 0.345 175 C C -0.006 175.100 174.990 0.193 0.000 1.369 175 C CA -0.791 58.327 59.018 0.167 0.000 2.447 175 C CB -0.727 27.114 27.740 0.169 0.000 2.358 175 C HN 0.845 nan 8.230 nan 0.000 0.676 176 M N 2.066 121.776 119.600 0.183 0.000 2.215 176 M HA 0.505 4.985 4.480 0.001 0.000 0.251 176 M C -0.722 175.721 176.300 0.239 0.000 0.987 176 M CA 0.036 55.440 55.300 0.172 0.000 1.025 176 M CB 1.752 34.401 32.600 0.082 0.000 2.064 176 M HN 1.023 nan 8.290 nan 0.000 0.473 177 A N 2.926 125.929 122.820 0.304 0.000 2.446 177 A HA 0.708 5.028 4.320 0.001 0.000 0.282 177 A C -1.932 175.915 177.584 0.439 0.000 1.102 177 A CA -0.435 51.858 52.037 0.427 0.000 0.737 177 A CB 0.728 20.015 19.000 0.479 0.000 1.212 177 A HN 0.844 nan 8.150 nan 0.000 0.434 178 W N 2.295 123.805 121.300 0.349 0.000 2.238 178 W HA 0.424 5.084 4.660 0.001 0.000 0.321 178 W C 1.157 177.906 176.519 0.383 0.000 1.293 178 W CA 0.567 58.098 57.345 0.309 0.000 1.204 178 W CB 1.069 30.681 29.460 0.253 0.000 1.167 178 W HN 0.741 nan 8.180 nan 0.000 0.553 179 T N -0.893 113.997 114.554 0.559 0.000 2.918 179 T HA 0.033 4.383 4.350 0.001 0.000 0.302 179 T C 0.827 175.842 174.700 0.525 0.000 1.045 179 T CA -0.257 62.143 62.100 0.501 0.000 1.114 179 T CB 0.612 69.675 68.868 0.325 0.000 0.965 179 T HN 0.578 nan 8.240 nan 0.000 0.540 180 H N 0.888 120.115 119.070 0.262 0.000 2.561 180 H HA -0.062 4.495 4.556 0.001 0.000 0.278 180 H C 1.386 176.815 175.328 0.168 0.000 1.014 180 H CA 0.891 57.064 56.048 0.209 0.000 1.211 180 H CB 0.264 30.127 29.762 0.169 0.000 1.365 180 H HN 0.776 nan 8.280 nan 0.000 0.594 181 D N -0.454 120.113 120.400 0.279 0.000 2.340 181 D HA 0.000 4.641 4.640 0.001 0.000 0.220 181 D C 1.701 178.109 176.300 0.180 0.000 1.039 181 D CA 0.678 54.791 54.000 0.189 0.000 0.866 181 D CB -0.264 40.624 40.800 0.146 0.000 0.913 181 D HN 0.337 nan 8.370 nan 0.000 0.523 182 G N 1.262 110.209 108.800 0.245 0.000 2.166 182 G HA2 -0.436 3.524 3.960 0.001 0.000 0.260 182 G HA3 -0.436 3.524 3.960 0.001 0.000 0.260 182 G C 0.962 176.004 174.900 0.238 0.000 0.986 182 G CA 0.714 45.961 45.100 0.244 0.000 0.683 182 G HN 0.512 nan 8.290 nan 0.000 0.527 183 K N -0.174 120.356 120.400 0.216 0.000 2.155 183 K HA 0.315 4.635 4.320 0.001 0.000 0.203 183 K C 1.508 178.113 176.600 0.008 0.000 1.052 183 K CA 1.513 57.870 56.287 0.116 0.000 0.948 183 K CB -0.096 32.492 32.500 0.148 0.000 0.728 183 K HN 0.870 nan 8.250 nan 0.000 0.448 184 G N -0.373 108.436 108.800 0.015 0.000 2.490 184 G HA2 0.371 4.331 3.960 0.001 0.000 0.308 184 G HA3 0.371 4.331 3.960 0.001 0.000 0.308 184 G C -1.908 172.628 174.900 -0.607 0.000 1.286 184 G CA -0.713 44.066 45.100 -0.536 0.000 0.825 184 G HN 0.079 nan 8.290 nan 0.000 0.479 185 M N 0.042 119.078 119.600 -0.941 0.000 2.371 185 M HA 0.638 5.118 4.480 0.001 0.000 0.287 185 M C -1.600 174.568 176.300 -0.220 0.000 1.149 185 M CA -0.681 54.258 55.300 -0.601 0.000 0.929 185 M CB 1.854 33.887 32.600 -0.945 0.000 1.683 185 M HN 0.352 nan 8.290 nan 0.000 0.470 186 F N 4.503 124.605 119.950 0.255 0.000 2.429 186 F HA 0.487 5.014 4.527 0.001 0.000 0.348 186 F C -0.116 175.881 175.800 0.329 0.000 1.109 186 F CA 0.373 58.578 58.000 0.341 0.000 1.232 186 F CB 0.438 39.630 39.000 0.319 0.000 1.157 186 F HN 0.510 nan 8.300 nan 0.000 0.564 187 Y N -0.560 119.951 120.300 0.352 0.000 2.725 187 Y HA 0.575 5.125 4.550 0.001 0.000 0.333 187 Y C -1.976 174.070 175.900 0.244 0.000 1.242 187 Y CA -2.056 56.179 58.100 0.225 0.000 1.059 187 Y CB 0.847 39.383 38.460 0.126 0.000 1.306 187 Y HN 0.511 nan 8.280 nan 0.000 0.454 188 N N 0.698 119.493 118.700 0.158 0.000 2.361 188 N HA 0.835 5.575 4.740 0.001 0.000 0.302 188 N C -1.405 174.213 175.510 0.180 0.000 1.074 188 N CA -0.557 52.520 53.050 0.046 0.000 0.850 188 N CB 2.214 40.740 38.487 0.066 0.000 1.228 188 N HN 0.963 nan 8.380 nan 0.000 0.491 189 A N 1.117 124.023 122.820 0.144 0.000 2.556 189 A HA 0.658 4.979 4.320 0.001 0.000 0.294 189 A C -1.860 175.830 177.584 0.176 0.000 1.091 189 A CA -0.508 51.701 52.037 0.287 0.000 0.704 189 A CB 0.788 20.005 19.000 0.362 0.000 1.300 189 A HN 0.616 nan 8.150 nan 0.000 0.406 190 Y N 1.214 121.725 120.300 0.351 0.000 2.387 190 Y HA 0.506 5.057 4.550 0.001 0.000 0.336 190 Y C -1.781 174.282 175.900 0.271 0.000 1.067 190 Y CA -1.920 56.380 58.100 0.333 0.000 1.114 190 Y CB 1.402 40.111 38.460 0.415 0.000 1.208 190 Y HN 0.494 nan 8.280 nan 0.000 0.458 191 P HA -0.035 nan 4.420 nan 0.000 0.270 191 P C -0.947 176.477 177.300 0.207 0.000 1.227 191 P CA -0.236 63.011 63.100 0.246 0.000 0.788 191 P CB 0.682 32.499 31.700 0.195 0.000 0.926 192 Q N 0.635 120.506 119.800 0.118 0.000 2.395 192 Q HA 0.037 4.377 4.340 0.001 0.000 0.271 192 Q C 0.469 176.517 176.000 0.079 0.000 1.026 192 Q CA 0.593 56.437 55.803 0.067 0.000 0.900 192 Q CB 0.170 28.925 28.738 0.028 0.000 1.266 192 Q HN 0.532 nan 8.270 nan 0.000 0.430 193 Q N 0.206 120.039 119.800 0.055 0.000 2.456 193 Q HA 0.499 4.840 4.340 0.001 0.000 0.283 193 Q C -1.185 174.834 176.000 0.030 0.000 1.084 193 Q CA -0.999 54.842 55.803 0.063 0.000 0.801 193 Q CB 1.562 30.361 28.738 0.102 0.000 1.434 193 Q HN 0.313 nan 8.270 nan 0.000 0.419 194 D N 0.217 120.638 120.400 0.034 0.000 2.344 194 D HA 0.449 5.089 4.640 0.001 0.000 0.244 194 D C 0.784 177.096 176.300 0.019 0.000 1.134 194 D CA 1.599 55.611 54.000 0.020 0.000 0.930 194 D CB 1.009 41.822 40.800 0.022 0.000 1.175 194 D HN 0.901 nan 8.370 nan 0.000 0.437 195 G N 0.943 109.747 108.800 0.008 0.000 2.593 195 G HA2 -0.252 3.709 3.960 0.001 0.000 0.237 195 G HA3 -0.252 3.709 3.960 0.001 0.000 0.237 195 G C -0.239 174.655 174.900 -0.009 0.000 1.312 195 G CA -0.292 44.811 45.100 0.006 0.000 0.896 195 G HN 0.524 nan 8.290 nan 0.000 0.574 196 K N -0.577 119.820 120.400 -0.005 0.000 2.090 196 K HA 0.673 4.994 4.320 0.001 0.000 0.250 196 K C 0.160 176.735 176.600 -0.041 0.000 1.004 196 K CA 0.166 56.436 56.287 -0.028 0.000 0.919 196 K CB 1.136 33.629 32.500 -0.012 0.000 1.045 196 K HN 0.399 nan 8.250 nan 0.000 0.471 197 S N 1.470 117.083 115.700 -0.145 0.000 2.526 197 S HA 0.048 4.519 4.470 0.001 0.000 0.220 197 S C -0.890 173.465 174.600 -0.409 0.000 1.159 197 S CA -0.586 57.404 58.200 -0.349 0.000 1.196 197 S CB 0.007 62.745 63.200 -0.770 0.000 1.225 197 S HN 0.731 nan 8.310 nan 0.000 0.432 198 D N -0.088 120.303 120.400 -0.016 0.000 2.474 198 D HA 0.290 4.930 4.640 0.001 0.000 0.213 198 D C 1.295 177.810 176.300 0.358 0.000 1.120 198 D CA 0.568 54.642 54.000 0.123 0.000 0.836 198 D CB 0.055 40.921 40.800 0.110 0.000 1.019 198 D HN 0.480 nan 8.370 nan 0.000 0.507 199 G N 0.242 109.269 108.800 0.379 0.000 2.192 199 G HA2 -0.287 3.673 3.960 0.001 0.000 0.193 199 G HA3 -0.287 3.673 3.960 0.001 0.000 0.193 199 G C 1.109 176.058 174.900 0.081 0.000 0.999 199 G CA 0.599 45.886 45.100 0.311 0.000 0.659 199 G HN 0.552 nan 8.290 nan 0.000 0.503 200 T N -0.947 113.584 114.554 -0.038 0.000 3.037 200 T HA 0.348 4.698 4.350 0.001 0.000 0.251 200 T C 1.005 175.681 174.700 -0.040 0.000 1.079 200 T CA 1.018 63.030 62.100 -0.146 0.000 1.067 200 T CB 0.267 68.986 68.868 -0.248 0.000 0.948 200 T HN 0.755 nan 8.240 nan 0.000 0.496 201 E N 2.511 122.730 120.200 0.032 0.000 2.371 201 E HA 0.126 4.477 4.350 0.001 0.000 0.257 201 E C 0.386 177.018 176.600 0.054 0.000 1.134 201 E CA 0.174 56.603 56.400 0.048 0.000 0.919 201 E CB 1.107 30.861 29.700 0.090 0.000 1.025 201 E HN 0.322 nan 8.360 nan 0.000 0.438 202 T N -2.224 112.357 114.554 0.045 0.000 3.044 202 T HA 0.140 4.491 4.350 0.001 0.000 0.260 202 T C 0.172 174.966 174.700 0.156 0.000 1.019 202 T CA -0.350 61.786 62.100 0.061 0.000 0.921 202 T CB -0.169 68.652 68.868 -0.079 0.000 1.053 202 T HN 0.309 nan 8.240 nan 0.000 0.533 203 S N 2.950 118.728 115.700 0.130 0.000 2.563 203 S HA 0.209 4.679 4.470 0.001 0.000 0.294 203 S C 0.534 175.199 174.600 0.108 0.000 1.279 203 S CA -0.269 58.007 58.200 0.126 0.000 1.069 203 S CB 0.616 63.887 63.200 0.117 0.000 0.828 203 S HN 0.552 nan 8.310 nan 0.000 0.497 204 T N 2.726 117.334 114.554 0.091 0.000 2.940 204 T HA 0.061 4.412 4.350 0.001 0.000 0.309 204 T C -0.078 174.665 174.700 0.073 0.000 1.056 204 T CA -0.311 61.836 62.100 0.079 0.000 1.137 204 T CB -0.339 68.568 68.868 0.066 0.000 0.976 204 T HN 0.649 nan 8.240 nan 0.000 0.547 205 N N 4.351 123.086 118.700 0.059 0.000 2.457 205 N HA 0.546 5.287 4.740 0.001 0.000 0.250 205 N C -0.888 174.791 175.510 0.281 0.000 0.982 205 N CA -0.458 52.555 53.050 -0.062 0.000 0.941 205 N CB 0.943 39.148 38.487 -0.470 0.000 1.120 205 N HN 0.442 nan 8.380 nan 0.000 0.505 206 L N 0.934 122.365 121.223 0.347 0.000 2.327 206 L HA 0.490 4.830 4.340 0.001 0.000 0.258 206 L C 0.046 177.171 176.870 0.425 0.000 1.024 206 L CA -1.004 54.002 54.840 0.277 0.000 0.825 206 L CB 1.444 43.503 42.059 -0.001 0.000 1.386 206 L HN 0.641 nan 8.230 nan 0.000 0.417 207 H N -0.186 119.029 119.070 0.241 0.000 2.839 207 H HA -0.168 4.389 4.556 0.001 0.000 0.298 207 H C 0.205 175.572 175.328 0.064 0.000 1.224 207 H CA 0.523 56.663 56.048 0.153 0.000 1.144 207 H CB -0.832 29.009 29.762 0.131 0.000 1.372 207 H HN 0.607 nan 8.280 nan 0.000 0.408 208 Q N 1.095 120.894 119.800 -0.001 0.000 2.330 208 Q HA 0.174 4.514 4.340 0.001 0.000 0.279 208 Q C -0.148 175.766 176.000 -0.142 0.000 1.024 208 Q CA 0.629 56.183 55.803 -0.414 0.000 0.900 208 Q CB 0.652 29.081 28.738 -0.515 0.000 1.221 208 Q HN 0.335 nan 8.270 nan 0.000 0.396 209 K N 2.814 123.099 120.400 -0.192 0.000 2.328 209 K HA 0.437 4.757 4.320 0.001 0.000 0.246 209 K C -1.279 175.133 176.600 -0.314 0.000 0.955 209 K CA -0.901 55.218 56.287 -0.281 0.000 0.817 209 K CB 1.454 33.706 32.500 -0.412 0.000 1.208 209 K HN 0.429 nan 8.250 nan 0.000 0.432 210 L N 2.768 123.776 121.223 -0.358 0.000 2.264 210 L HA 0.387 4.727 4.340 0.001 0.000 0.289 210 L C -1.590 175.079 176.870 -0.335 0.000 1.044 210 L CA 0.045 54.749 54.840 -0.227 0.000 0.807 210 L CB 0.102 42.112 42.059 -0.081 0.000 1.192 210 L HN 0.454 nan 8.230 nan 0.000 0.425 211 Y N 3.960 124.143 120.300 -0.196 0.000 2.528 211 Y HA 0.450 5.000 4.550 0.001 0.000 0.335 211 Y C -1.030 174.955 175.900 0.142 0.000 1.093 211 Y CA -0.263 57.752 58.100 -0.142 0.000 1.134 211 Y CB 1.641 39.818 38.460 -0.472 0.000 1.253 211 Y HN 0.511 nan 8.280 nan 0.000 0.478 212 Y N 1.590 122.064 120.300 0.291 0.000 2.328 212 Y HA 0.386 4.937 4.550 0.001 0.000 0.336 212 Y C -1.138 174.878 175.900 0.193 0.000 0.960 212 Y CA -1.173 57.008 58.100 0.135 0.000 1.134 212 Y CB 0.603 39.024 38.460 -0.065 0.000 1.166 212 Y HN 0.699 nan 8.280 nan 0.000 0.464 213 H N 4.995 123.842 119.070 -0.373 0.000 2.556 213 H HA 0.537 5.094 4.556 0.001 0.000 0.310 213 H C -1.352 173.541 175.328 -0.726 0.000 1.057 213 H CA -0.565 55.259 56.048 -0.374 0.000 1.264 213 H CB 0.828 30.433 29.762 -0.261 0.000 1.404 213 H HN 0.520 nan 8.280 nan 0.000 0.462 214 V N 7.246 126.592 119.914 -0.947 0.000 2.427 214 V HA 0.005 4.126 4.120 0.001 0.000 0.268 214 V C 0.353 175.888 176.094 -0.931 0.000 1.046 214 V CA -0.590 61.260 62.300 -0.751 0.000 0.970 214 V CB 0.318 31.922 31.823 -0.364 0.000 1.001 214 V HN 0.658 nan 8.190 nan 0.000 0.476 215 L N 5.351 126.172 121.223 -0.670 0.000 2.525 215 L HA 0.486 4.826 4.340 0.001 0.000 0.278 215 L C 1.247 177.905 176.870 -0.353 0.000 1.218 215 L CA 1.952 56.473 54.840 -0.531 0.000 0.878 215 L CB 0.443 42.304 42.059 -0.330 0.000 1.127 215 L HN 0.965 nan 8.230 nan 0.000 0.492 216 G N 1.565 110.206 108.800 -0.264 0.000 2.176 216 G HA2 -0.249 3.712 3.960 0.001 0.000 0.253 216 G HA3 -0.249 3.712 3.960 0.001 0.000 0.253 216 G C 0.275 175.091 174.900 -0.139 0.000 0.979 216 G CA 0.414 45.424 45.100 -0.150 0.000 0.641 216 G HN 1.053 nan 8.290 nan 0.000 0.530 217 T N -2.193 112.237 114.554 -0.207 0.000 2.940 217 T HA 0.642 4.992 4.350 0.001 0.000 0.288 217 T C -0.482 174.209 174.700 -0.014 0.000 1.045 217 T CA -0.428 61.590 62.100 -0.137 0.000 1.018 217 T CB 2.579 71.327 68.868 -0.200 0.000 1.151 217 T HN 0.015 nan 8.240 nan 0.000 0.529 218 D N 0.643 121.041 120.400 -0.002 0.000 2.362 218 D HA 0.056 4.696 4.640 0.001 0.000 0.242 218 D C 1.150 177.492 176.300 0.071 0.000 1.132 218 D CA 0.022 54.038 54.000 0.027 0.000 0.907 218 D CB 1.610 42.408 40.800 -0.003 0.000 1.195 218 D HN 0.816 nan 8.370 nan 0.000 0.429 219 Q N 1.412 121.234 119.800 0.038 0.000 2.170 219 Q HA -0.195 4.145 4.340 0.001 0.000 0.203 219 Q C 1.756 177.754 176.000 -0.003 0.000 0.976 219 Q CA 1.950 57.762 55.803 0.015 0.000 0.858 219 Q CB 0.044 28.727 28.738 -0.092 0.000 0.907 219 Q HN 0.506 nan 8.270 nan 0.000 0.433 220 S N -0.107 115.584 115.700 -0.016 0.000 2.420 220 S HA -0.216 4.254 4.470 0.001 0.000 0.237 220 S C 1.401 176.003 174.600 0.004 0.000 1.023 220 S CA 1.520 59.710 58.200 -0.017 0.000 0.991 220 S CB -0.305 62.888 63.200 -0.012 0.000 0.792 220 S HN 0.549 nan 8.310 nan 0.000 0.488 221 E N 1.071 121.280 120.200 0.015 0.000 2.481 221 E HA 0.078 4.428 4.350 0.001 0.000 0.195 221 E C -0.465 176.166 176.600 0.052 0.000 1.047 221 E CA -0.036 56.377 56.400 0.022 0.000 0.867 221 E CB -0.057 29.640 29.700 -0.006 0.000 0.858 221 E HN 0.550 nan 8.360 nan 0.000 0.513 222 D N 0.889 121.335 120.400 0.076 0.000 2.472 222 D HA -0.028 4.612 4.640 0.001 0.000 0.237 222 D C 0.034 176.480 176.300 0.245 0.000 1.141 222 D CA 0.373 54.466 54.000 0.156 0.000 0.875 222 D CB 0.604 41.508 40.800 0.173 0.000 1.192 222 D HN -0.063 nan 8.370 nan 0.000 0.450 223 I N 2.495 123.242 120.570 0.296 0.000 2.441 223 I HA 0.053 4.224 4.170 0.001 0.000 0.287 223 I C 0.379 176.708 176.117 0.353 0.000 1.049 223 I CA -0.674 60.800 61.300 0.290 0.000 1.381 223 I CB 0.397 38.557 38.000 0.267 0.000 1.409 223 I HN 0.227 nan 8.210 nan 0.000 0.523 224 L N 7.226 128.584 121.223 0.225 0.000 2.278 224 L HA 0.243 4.583 4.340 0.001 0.000 0.287 224 L C 0.387 177.270 176.870 0.021 0.000 1.072 224 L CA 0.494 55.324 54.840 -0.018 0.000 0.819 224 L CB 0.894 42.919 42.059 -0.057 0.000 1.176 224 L HN 0.747 nan 8.230 nan 0.000 0.435 225 C N 3.718 123.036 119.300 0.031 0.000 2.820 225 C HA 0.751 5.212 4.460 0.001 0.000 0.323 225 C C 0.815 175.977 174.990 0.287 0.000 1.279 225 C CA 0.142 59.279 59.018 0.198 0.000 1.790 225 C CB -0.520 27.439 27.740 0.365 0.000 2.328 225 C HN 0.901 nan 8.230 nan 0.000 0.579 226 A N 1.110 123.946 122.820 0.027 0.000 2.547 226 A HA 0.692 5.012 4.320 0.001 0.000 0.297 226 A C -1.171 176.090 177.584 -0.540 0.000 1.056 226 A CA -0.344 51.589 52.037 -0.173 0.000 0.688 226 A CB 1.028 19.873 19.000 -0.258 0.000 1.282 226 A HN 0.497 nan 8.150 nan 0.000 0.400 227 E N 0.191 119.943 120.200 -0.746 0.000 2.392 227 E HA 0.722 5.073 4.350 0.001 0.000 0.279 227 E C -1.877 174.199 176.600 -0.874 0.000 0.964 227 E CA -0.829 55.109 56.400 -0.770 0.000 0.777 227 E CB 1.464 30.967 29.700 -0.328 0.000 1.249 227 E HN 0.427 nan 8.360 nan 0.000 0.449 228 F N 1.194 121.165 119.950 0.034 0.000 2.584 228 F HA 0.344 4.871 4.527 0.001 0.000 0.328 228 F C -1.983 173.799 175.800 -0.030 0.000 1.407 228 F CA -1.990 55.997 58.000 -0.021 0.000 1.145 228 F CB 1.411 40.395 39.000 -0.026 0.000 1.440 228 F HN 0.354 nan 8.300 nan 0.000 0.580 229 P HA -0.102 nan 4.420 nan 0.000 0.223 229 P C 0.599 177.975 177.300 0.128 0.000 1.151 229 P CA 1.280 64.491 63.100 0.185 0.000 0.787 229 P CB 0.472 32.204 31.700 0.053 0.000 0.788 230 D N -0.143 120.256 120.400 -0.003 0.000 2.347 230 D HA -0.007 4.634 4.640 0.001 0.000 0.213 230 D C 0.442 176.611 176.300 -0.218 0.000 0.985 230 D CA 0.890 54.839 54.000 -0.084 0.000 0.879 230 D CB 0.213 40.953 40.800 -0.099 0.000 0.919 230 D HN 0.257 nan 8.370 nan 0.000 0.526 231 E N 0.443 120.446 120.200 -0.328 0.000 3.108 231 E HA 0.168 4.519 4.350 0.001 0.000 0.228 231 E C -2.037 174.341 176.600 -0.371 0.000 1.176 231 E CA -1.498 54.542 56.400 -0.600 0.000 0.881 231 E CB 1.840 30.550 29.700 -1.650 0.000 1.354 231 E HN 0.021 nan 8.360 nan 0.000 0.400 232 P HA -0.081 nan 4.420 nan 0.000 0.225 232 P C 0.900 178.047 177.300 -0.254 0.000 1.148 232 P CA 0.973 63.767 63.100 -0.510 0.000 0.779 232 P CB 0.352 31.629 31.700 -0.704 0.000 0.780 233 K N -2.617 117.697 120.400 -0.142 0.000 2.379 233 K HA 0.007 4.328 4.320 0.001 0.000 0.194 233 K C 0.202 176.932 176.600 0.217 0.000 1.031 233 K CA -0.028 56.240 56.287 -0.032 0.000 1.037 233 K CB -0.015 32.425 32.500 -0.100 0.000 0.824 233 K HN 0.138 nan 8.250 nan 0.000 0.516 234 W N 1.836 123.086 121.300 -0.083 0.000 2.181 234 W HA 0.166 4.826 4.660 0.001 0.000 0.335 234 W C 0.205 176.684 176.519 -0.066 0.000 1.310 234 W CA -0.168 57.081 57.345 -0.161 0.000 1.226 234 W CB 0.015 29.228 29.460 -0.412 0.000 1.155 234 W HN -0.082 nan 8.180 nan 0.000 0.565 235 M N 3.082 122.711 119.600 0.047 0.000 2.151 235 M HA 0.383 4.863 4.480 0.001 0.000 0.290 235 M C 0.359 176.645 176.300 -0.024 0.000 0.965 235 M CA -0.389 54.952 55.300 0.068 0.000 0.930 235 M CB 1.931 34.568 32.600 0.062 0.000 1.560 235 M HN 0.507 nan 8.290 nan 0.000 0.438 236 G N 1.855 110.710 108.800 0.091 0.000 2.468 236 G HA2 0.611 4.572 3.960 0.001 0.000 0.320 236 G HA3 0.611 4.572 3.960 0.001 0.000 0.320 236 G C -0.202 174.687 174.900 -0.018 0.000 1.137 236 G CA -0.507 44.590 45.100 -0.005 0.000 0.984 236 G HN 0.832 nan 8.290 nan 0.000 0.462 237 G N 0.648 109.425 108.800 -0.038 0.000 2.338 237 G HA2 0.668 4.628 3.960 0.001 0.000 0.298 237 G HA3 0.668 4.628 3.960 0.001 0.000 0.298 237 G C -0.020 174.876 174.900 -0.006 0.000 1.140 237 G CA 0.034 45.142 45.100 0.012 0.000 0.860 237 G HN 0.962 nan 8.290 nan 0.000 0.470 238 A N 2.171 125.003 122.820 0.020 0.000 2.325 238 A HA 0.858 5.179 4.320 0.001 0.000 0.333 238 A C 0.001 177.648 177.584 0.105 0.000 1.155 238 A CA -0.679 51.350 52.037 -0.013 0.000 0.814 238 A CB 1.165 20.011 19.000 -0.256 0.000 1.206 238 A HN 0.893 nan 8.150 nan 0.000 0.482 239 E N 1.691 121.966 120.200 0.125 0.000 2.390 239 E HA 0.533 4.883 4.350 0.001 0.000 0.277 239 E C -1.782 174.941 176.600 0.204 0.000 0.939 239 E CA -0.881 55.643 56.400 0.206 0.000 0.769 239 E CB 1.069 30.892 29.700 0.204 0.000 1.251 239 E HN 0.379 nan 8.360 nan 0.000 0.450 240 L N 2.663 124.053 121.223 0.278 0.000 2.334 240 L HA 0.287 4.627 4.340 0.001 0.000 0.277 240 L C 0.647 177.589 176.870 0.120 0.000 1.075 240 L CA -0.257 54.724 54.840 0.234 0.000 0.804 240 L CB 1.246 43.505 42.059 0.333 0.000 1.174 240 L HN 0.861 nan 8.230 nan 0.000 0.438 241 S N 1.266 116.971 115.700 0.008 0.000 2.576 241 S HA 0.013 4.483 4.470 0.001 0.000 0.272 241 S C 0.802 175.485 174.600 0.139 0.000 1.352 241 S CA -0.573 57.582 58.200 -0.076 0.000 1.021 241 S CB 0.735 63.986 63.200 0.084 0.000 0.887 241 S HN 0.554 nan 8.310 nan 0.000 0.542 242 D N 1.481 122.062 120.400 0.302 0.000 2.158 242 D HA -0.126 4.515 4.640 0.001 0.000 0.197 242 D C 1.393 177.821 176.300 0.213 0.000 0.995 242 D CA 1.835 56.007 54.000 0.285 0.000 0.846 242 D CB -0.514 40.413 40.800 0.213 0.000 0.941 242 D HN 0.887 nan 8.370 nan 0.000 0.456 243 D N -1.209 119.243 120.400 0.087 0.000 2.355 243 D HA 0.095 4.735 4.640 0.001 0.000 0.218 243 D C 1.541 177.775 176.300 -0.109 0.000 1.004 243 D CA 0.878 54.902 54.000 0.041 0.000 0.880 243 D CB -0.360 40.455 40.800 0.026 0.000 0.911 243 D HN 0.212 nan 8.370 nan 0.000 0.528 244 G N 0.848 109.403 108.800 -0.408 0.000 2.148 244 G HA2 -0.422 3.538 3.960 0.001 0.000 0.254 244 G HA3 -0.422 3.538 3.960 0.001 0.000 0.254 244 G C 1.113 175.856 174.900 -0.262 0.000 0.981 244 G CA 0.560 45.163 45.100 -0.828 0.000 0.670 244 G HN 0.537 nan 8.290 nan 0.000 0.528 245 R N -0.755 119.662 120.500 -0.138 0.000 2.112 245 R HA 0.338 4.678 4.340 0.001 0.000 0.216 245 R C 0.371 176.510 176.300 -0.268 0.000 1.080 245 R CA 0.771 56.742 56.100 -0.215 0.000 0.996 245 R CB 0.041 30.162 30.300 -0.297 0.000 0.902 245 R HN 0.415 nan 8.270 nan 0.000 0.449 246 Y N -0.325 120.034 120.300 0.098 0.000 2.393 246 Y HA 0.420 4.970 4.550 0.001 0.000 0.341 246 Y C -0.574 175.415 175.900 0.148 0.000 0.988 246 Y CA -1.323 56.879 58.100 0.171 0.000 1.078 246 Y CB 2.112 40.739 38.460 0.277 0.000 1.203 246 Y HN -0.333 nan 8.280 nan 0.000 0.453 247 V N 5.342 125.443 119.914 0.311 0.000 2.432 247 V HA 0.236 4.357 4.120 0.001 0.000 0.271 247 V C -0.089 176.225 176.094 0.366 0.000 1.046 247 V CA -0.621 61.830 62.300 0.253 0.000 0.945 247 V CB 0.442 32.327 31.823 0.103 0.000 0.992 247 V HN 0.557 nan 8.190 nan 0.000 0.471 248 L N 5.943 127.324 121.223 0.264 0.000 2.282 248 L HA 0.535 4.876 4.340 0.001 0.000 0.288 248 L C -0.549 176.422 176.870 0.168 0.000 1.033 248 L CA -0.617 54.380 54.840 0.263 0.000 0.807 248 L CB 1.536 43.704 42.059 0.183 0.000 1.209 248 L HN 0.448 nan 8.230 nan 0.000 0.423 249 L N 2.945 124.231 121.223 0.105 0.000 2.276 249 L HA 0.391 4.731 4.340 0.001 0.000 0.286 249 L C -0.190 176.559 176.870 -0.202 0.000 1.024 249 L CA 0.277 55.024 54.840 -0.155 0.000 0.826 249 L CB 1.507 43.228 42.059 -0.564 0.000 1.211 249 L HN 0.487 nan 8.230 nan 0.000 0.422 250 S N 6.511 122.127 115.700 -0.140 0.000 2.410 250 S HA 0.565 5.035 4.470 0.001 0.000 0.304 250 S C -0.099 174.351 174.600 -0.250 0.000 1.095 250 S CA -0.310 57.803 58.200 -0.145 0.000 1.089 250 S CB 0.195 63.388 63.200 -0.011 0.000 0.968 250 S HN 0.465 nan 8.310 nan 0.000 0.480 251 I N 4.109 124.432 120.570 -0.412 0.000 2.321 251 I HA 0.414 4.584 4.170 0.001 0.000 0.291 251 I C 0.425 176.349 176.117 -0.322 0.000 0.998 251 I CA -0.416 60.572 61.300 -0.521 0.000 1.227 251 I CB 0.961 38.357 38.000 -1.008 0.000 1.368 251 I HN 0.329 nan 8.210 nan 0.000 0.466 252 R N 4.751 125.082 120.500 -0.283 0.000 2.711 252 R HA 0.547 4.888 4.340 0.001 0.000 0.284 252 R C -0.726 175.327 176.300 -0.412 0.000 0.968 252 R CA -0.856 55.082 56.100 -0.270 0.000 0.924 252 R CB 2.474 32.681 30.300 -0.155 0.000 1.162 252 R HN 0.542 nan 8.270 nan 0.000 0.465 253 E N 1.430 121.248 120.200 -0.637 0.000 2.373 253 E HA 0.366 4.717 4.350 0.001 0.000 0.251 253 E C -0.591 175.811 176.600 -0.329 0.000 0.923 253 E CA -0.208 55.905 56.400 -0.479 0.000 0.798 253 E CB 1.115 30.416 29.700 -0.664 0.000 1.303 253 E HN 0.851 nan 8.360 nan 0.000 0.412 254 G N 1.632 110.365 108.800 -0.113 0.000 2.548 254 G HA2 -0.234 3.727 3.960 0.001 0.000 0.208 254 G HA3 -0.234 3.727 3.960 0.001 0.000 0.208 254 G C 0.282 175.185 174.900 0.004 0.000 1.308 254 G CA -0.281 44.807 45.100 -0.019 0.000 0.924 254 G HN 0.566 nan 8.290 nan 0.000 0.540 255 C N 0.603 119.961 119.300 0.096 0.000 3.183 255 C HA 0.385 4.845 4.460 0.001 0.000 0.285 255 C C 0.562 175.617 174.990 0.108 0.000 1.313 255 C CA -0.461 58.651 59.018 0.156 0.000 1.711 255 C CB -0.845 27.149 27.740 0.423 0.000 2.135 255 C HN 0.637 nan 8.230 nan 0.000 0.651 256 D N 3.404 123.841 120.400 0.062 0.000 2.443 256 D HA 0.081 4.721 4.640 0.001 0.000 0.239 256 D C -1.926 174.401 176.300 0.045 0.000 1.136 256 D CA -0.821 53.228 54.000 0.081 0.000 0.879 256 D CB 0.550 41.382 40.800 0.053 0.000 1.195 256 D HN 0.196 nan 8.370 nan 0.000 0.443 257 P HA 0.014 nan 4.420 nan 0.000 0.235 257 P C -0.632 176.699 177.300 0.051 0.000 1.765 257 P CA -0.046 63.099 63.100 0.075 0.000 1.034 257 P CB -0.277 31.515 31.700 0.153 0.000 1.984 258 V N -0.084 119.851 119.914 0.035 0.000 3.049 258 V HA 0.785 4.906 4.120 0.001 0.000 0.309 258 V C -1.117 175.024 176.094 0.079 0.000 1.148 258 V CA -1.046 61.284 62.300 0.051 0.000 0.990 258 V CB 2.936 34.805 31.823 0.077 0.000 1.039 258 V HN 0.477 nan 8.190 nan 0.000 0.430 259 N N 1.234 120.015 118.700 0.135 0.000 2.745 259 N HA 0.403 5.144 4.740 0.001 0.000 0.256 259 N C -1.317 174.207 175.510 0.022 0.000 1.268 259 N CA -0.908 52.202 53.050 0.100 0.000 0.887 259 N CB 2.280 40.783 38.487 0.027 0.000 1.575 259 N HN 0.816 nan 8.380 nan 0.000 0.496 260 R N 0.291 120.654 120.500 -0.227 0.000 2.582 260 R HA 0.393 4.733 4.340 0.001 0.000 0.271 260 R C -0.548 175.554 176.300 -0.329 0.000 1.078 260 R CA -0.622 55.233 56.100 -0.408 0.000 1.127 260 R CB 0.819 30.657 30.300 -0.771 0.000 1.038 260 R HN 0.441 nan 8.270 nan 0.000 0.500 261 L N 3.856 124.937 121.223 -0.236 0.000 2.377 261 L HA 0.373 4.713 4.340 0.001 0.000 0.270 261 L C -1.597 175.329 176.870 0.094 0.000 0.991 261 L CA -0.369 54.389 54.840 -0.138 0.000 0.851 261 L CB 1.050 42.971 42.059 -0.230 0.000 1.218 261 L HN 0.649 nan 8.230 nan 0.000 0.420 262 W N 4.692 125.895 121.300 -0.161 0.000 2.578 262 W HA 0.555 5.215 4.660 0.001 0.000 0.353 262 W C -0.179 176.404 176.519 0.106 0.000 1.088 262 W CA -0.979 56.294 57.345 -0.120 0.000 1.235 262 W CB 0.900 30.247 29.460 -0.187 0.000 1.362 262 W HN 0.434 nan 8.180 nan 0.000 0.592 263 Y N -0.720 119.773 120.300 0.321 0.000 2.576 263 Y HA 0.686 5.236 4.550 0.001 0.000 0.346 263 Y C -1.030 175.077 175.900 0.345 0.000 1.018 263 Y CA -2.151 56.138 58.100 0.315 0.000 1.050 263 Y CB 1.454 39.921 38.460 0.012 0.000 1.280 263 Y HN 0.471 nan 8.280 nan 0.000 0.474 264 C N 3.604 123.186 119.300 0.469 0.000 2.383 264 C HA 0.394 4.854 4.460 0.001 0.000 0.330 264 C C -0.832 174.323 174.990 0.274 0.000 1.168 264 C CA -0.622 58.467 59.018 0.118 0.000 1.374 264 C CB -0.404 27.057 27.740 -0.464 0.000 2.014 264 C HN 0.916 nan 8.230 nan 0.000 0.439 265 D N 4.329 124.919 120.400 0.316 0.000 2.342 265 D HA 0.090 4.731 4.640 0.001 0.000 0.260 265 D C 1.137 177.399 176.300 -0.063 0.000 1.278 265 D CA 0.188 54.211 54.000 0.039 0.000 0.910 265 D CB 0.651 41.506 40.800 0.090 0.000 1.079 265 D HN 0.708 nan 8.370 nan 0.000 0.496 266 L N 3.080 124.241 121.223 -0.104 0.000 2.201 266 L HA -0.162 4.179 4.340 0.001 0.000 0.212 266 L C 2.397 179.219 176.870 -0.081 0.000 1.105 266 L CA 0.759 55.550 54.840 -0.081 0.000 0.775 266 L CB -0.173 41.858 42.059 -0.047 0.000 0.913 266 L HN 0.521 nan 8.230 nan 0.000 0.440 267 Q N -0.396 119.345 119.800 -0.100 0.000 2.181 267 Q HA -0.228 4.112 4.340 0.001 0.000 0.205 267 Q C 1.947 177.918 176.000 -0.049 0.000 0.980 267 Q CA 1.200 56.961 55.803 -0.070 0.000 0.862 267 Q CB 0.080 28.770 28.738 -0.080 0.000 0.905 267 Q HN 0.492 nan 8.270 nan 0.000 0.429 268 Q N 0.279 120.050 119.800 -0.047 0.000 2.444 268 Q HA 0.010 4.351 4.340 0.001 0.000 0.206 268 Q C -0.161 175.809 176.000 -0.049 0.000 0.948 268 Q CA 0.446 56.230 55.803 -0.030 0.000 0.946 268 Q CB 0.316 29.053 28.738 -0.002 0.000 1.027 268 Q HN 0.263 nan 8.270 nan 0.000 0.513 269 E N 0.421 120.581 120.200 -0.067 0.000 2.344 269 E HA 0.064 4.415 4.350 0.001 0.000 0.270 269 E C 0.799 177.366 176.600 -0.055 0.000 1.021 269 E CA 0.009 56.362 56.400 -0.078 0.000 0.887 269 E CB 1.256 30.898 29.700 -0.097 0.000 0.997 269 E HN -0.008 nan 8.360 nan 0.000 0.429 270 S N 2.712 118.381 115.700 -0.051 0.000 2.359 270 S HA -0.185 4.285 4.470 0.001 0.000 0.224 270 S C 1.164 175.746 174.600 -0.030 0.000 1.035 270 S CA 1.376 59.554 58.200 -0.036 0.000 1.018 270 S CB 0.016 63.196 63.200 -0.033 0.000 0.876 270 S HN 0.427 nan 8.310 nan 0.000 0.448 271 N N 0.002 118.682 118.700 -0.034 0.000 2.588 271 N HA 0.346 5.086 4.740 0.001 0.000 0.298 271 N C 0.018 175.510 175.510 -0.031 0.000 1.718 271 N CA 0.657 53.692 53.050 -0.026 0.000 0.888 271 N CB 0.332 38.808 38.487 -0.019 0.000 1.389 271 N HN 0.389 nan 8.380 nan 0.000 0.491 272 G N 0.574 109.349 108.800 -0.043 0.000 2.693 272 G HA2 -0.258 3.702 3.960 0.001 0.000 0.226 272 G HA3 -0.258 3.702 3.960 0.001 0.000 0.226 272 G C -0.387 174.461 174.900 -0.086 0.000 1.354 272 G CA -0.363 44.702 45.100 -0.058 0.000 0.873 272 G HN 0.241 nan 8.290 nan 0.000 0.562 273 I N 1.918 122.408 120.570 -0.133 0.000 2.406 273 I HA 0.360 4.530 4.170 0.001 0.000 0.293 273 I C 1.609 177.688 176.117 -0.064 0.000 1.101 273 I CA 0.868 62.068 61.300 -0.167 0.000 1.334 273 I CB 0.957 38.691 38.000 -0.442 0.000 1.421 273 I HN 0.826 nan 8.210 nan 0.000 0.513 274 T N 0.520 115.055 114.554 -0.033 0.000 3.009 274 T HA 0.485 4.835 4.350 0.001 0.000 0.267 274 T C 0.515 175.228 174.700 0.022 0.000 0.942 274 T CA 0.156 62.259 62.100 0.006 0.000 0.883 274 T CB 0.695 69.560 68.868 -0.004 0.000 1.192 274 T HN 0.658 nan 8.240 nan 0.000 0.524 275 G N 1.232 110.039 108.800 0.012 0.000 2.604 275 G HA2 0.492 4.452 3.960 0.001 0.000 0.242 275 G HA3 0.492 4.452 3.960 0.001 0.000 0.242 275 G C -1.608 173.305 174.900 0.022 0.000 1.208 275 G CA -0.907 44.208 45.100 0.026 0.000 0.912 275 G HN 0.204 nan 8.290 nan 0.000 0.502 276 I N 2.343 122.928 120.570 0.024 0.000 2.598 276 I HA 0.164 4.335 4.170 0.001 0.000 0.284 276 I C 0.700 176.785 176.117 -0.053 0.000 1.140 276 I CA 0.262 61.593 61.300 0.051 0.000 1.420 276 I CB 0.018 38.063 38.000 0.075 0.000 1.387 276 I HN 0.224 nan 8.210 nan 0.000 0.553 277 L N 6.960 128.068 121.223 -0.192 0.000 2.466 277 L HA 0.189 4.529 4.340 0.001 0.000 0.257 277 L C 1.048 177.564 176.870 -0.591 0.000 1.189 277 L CA -0.609 53.905 54.840 -0.543 0.000 0.813 277 L CB 0.154 41.604 42.059 -1.014 0.000 1.118 277 L HN 0.459 nan 8.230 nan 0.000 0.471 278 K N 2.195 122.316 120.400 -0.464 0.000 2.243 278 K HA 0.080 4.400 4.320 0.001 0.000 0.232 278 K C -1.047 175.358 176.600 -0.325 0.000 1.237 278 K CA -0.041 56.067 56.287 -0.298 0.000 1.161 278 K CB -0.266 32.120 32.500 -0.191 0.000 1.505 278 K HN 0.329 nan 8.250 nan 0.000 0.271 279 W N 1.494 122.717 121.300 -0.128 0.000 2.251 279 W HA 0.042 4.702 4.660 0.001 0.000 0.327 279 W C 0.304 176.571 176.519 -0.421 0.000 1.361 279 W CA -0.756 56.470 57.345 -0.199 0.000 1.234 279 W CB 0.496 29.891 29.460 -0.107 0.000 1.212 279 W HN 0.038 nan 8.180 nan 0.000 0.557 280 V N 4.772 124.481 119.914 -0.341 0.000 2.347 280 V HA 0.172 4.292 4.120 0.001 0.000 0.280 280 V C 0.127 175.804 176.094 -0.695 0.000 1.021 280 V CA -1.468 60.433 62.300 -0.664 0.000 0.847 280 V CB 0.964 32.130 31.823 -1.095 0.000 0.990 280 V HN 0.401 nan 8.190 nan 0.000 0.444 281 K N 4.608 124.636 120.400 -0.620 0.000 2.187 281 K HA 0.167 4.488 4.320 0.001 0.000 0.242 281 K C 0.884 177.316 176.600 -0.280 0.000 1.179 281 K CA -0.298 55.627 56.287 -0.602 0.000 1.097 281 K CB 0.600 32.620 32.500 -0.800 0.000 1.634 281 K HN 0.531 nan 8.250 nan 0.000 0.335 282 L N 2.250 123.346 121.223 -0.211 0.000 1.970 282 L HA -0.093 4.247 4.340 0.001 0.000 0.212 282 L C 0.498 177.294 176.870 -0.124 0.000 1.071 282 L CA 1.809 56.560 54.840 -0.149 0.000 0.751 282 L CB 0.219 42.181 42.059 -0.161 0.000 0.889 282 L HN 0.410 nan 8.230 nan 0.000 0.432 283 I N 0.489 120.972 120.570 -0.146 0.000 2.382 283 I HA 0.221 4.391 4.170 0.001 0.000 0.285 283 I C -0.625 175.447 176.117 -0.074 0.000 1.007 283 I CA -0.224 60.960 61.300 -0.194 0.000 1.142 283 I CB 0.861 38.560 38.000 -0.502 0.000 1.289 283 I HN 0.096 nan 8.210 nan 0.000 0.453 284 D N 5.198 125.562 120.400 -0.061 0.000 2.892 284 D HA 0.189 4.830 4.640 0.001 0.000 0.291 284 D C -0.268 175.935 176.300 -0.162 0.000 1.341 284 D CA -0.051 53.941 54.000 -0.014 0.000 0.844 284 D CB 0.310 41.121 40.800 0.019 0.000 1.093 284 D HN 0.700 nan 8.370 nan 0.000 0.480 285 N N -2.083 116.450 118.700 -0.279 0.000 2.934 285 N HA 0.291 5.032 4.740 0.001 0.000 0.253 285 N C -1.046 174.201 175.510 -0.439 0.000 1.466 285 N CA -0.749 52.095 53.050 -0.345 0.000 0.858 285 N CB 0.195 38.617 38.487 -0.109 0.000 1.459 285 N HN -0.233 nan 8.380 nan 0.000 0.532 286 F N -0.230 119.687 119.950 -0.056 0.000 2.837 286 F HA 0.415 4.942 4.527 0.001 0.000 0.298 286 F C 1.048 176.838 175.800 -0.018 0.000 1.161 286 F CA -0.427 57.529 58.000 -0.073 0.000 1.353 286 F CB 0.208 39.145 39.000 -0.105 0.000 0.951 286 F HN 0.458 nan 8.300 nan 0.000 0.508 287 E N 0.250 120.532 120.200 0.137 0.000 2.478 287 E HA 0.266 4.617 4.350 0.001 0.000 0.194 287 E C 1.173 177.807 176.600 0.056 0.000 1.045 287 E CA 0.223 56.679 56.400 0.095 0.000 0.868 287 E CB 0.494 30.237 29.700 0.072 0.000 0.885 287 E HN 0.359 nan 8.360 nan 0.000 0.505 288 G N 0.275 109.130 108.800 0.091 0.000 2.646 288 G HA2 0.241 4.202 3.960 0.001 0.000 0.291 288 G HA3 0.241 4.202 3.960 0.001 0.000 0.291 288 G C -1.506 173.290 174.900 -0.172 0.000 1.445 288 G CA -0.738 44.306 45.100 -0.093 0.000 0.814 288 G HN -0.049 nan 8.290 nan 0.000 0.495 289 E N -0.335 119.652 120.200 -0.354 0.000 2.301 289 E HA 0.494 4.845 4.350 0.001 0.000 0.275 289 E C -1.348 174.890 176.600 -0.603 0.000 1.030 289 E CA -0.532 55.721 56.400 -0.245 0.000 0.852 289 E CB 0.898 30.571 29.700 -0.045 0.000 1.060 289 E HN 0.393 nan 8.360 nan 0.000 0.401 290 Y N 2.648 122.938 120.300 -0.016 0.000 2.445 290 Y HA 0.191 4.741 4.550 0.001 0.000 0.332 290 Y C -0.803 175.201 175.900 0.174 0.000 1.037 290 Y CA -1.071 56.982 58.100 -0.079 0.000 1.296 290 Y CB 1.355 39.539 38.460 -0.459 0.000 1.099 290 Y HN 0.443 nan 8.280 nan 0.000 0.496 291 D N 2.169 122.819 120.400 0.418 0.000 2.414 291 D HA 0.111 4.751 4.640 0.001 0.000 0.232 291 D C -0.881 175.726 176.300 0.510 0.000 1.070 291 D CA -0.630 53.612 54.000 0.405 0.000 0.839 291 D CB 0.533 41.473 40.800 0.233 0.000 1.079 291 D HN 0.372 nan 8.370 nan 0.000 0.521 292 Y N 4.053 124.585 120.300 0.388 0.000 2.721 292 Y HA 0.078 4.628 4.550 0.001 0.000 0.329 292 Y C 0.386 176.305 175.900 0.033 0.000 1.211 292 Y CA 0.368 58.531 58.100 0.106 0.000 1.512 292 Y CB 0.581 39.136 38.460 0.159 0.000 1.249 292 Y HN 0.291 nan 8.280 nan 0.000 0.549 293 V N 3.911 123.428 119.914 -0.662 0.000 2.599 293 V HA 0.148 4.268 4.120 0.001 0.000 0.237 293 V C 0.650 176.171 176.094 -0.954 0.000 1.081 293 V CA 1.304 63.262 62.300 -0.569 0.000 1.107 293 V CB 0.279 31.927 31.823 -0.291 0.000 0.808 293 V HN 0.823 nan 8.190 nan 0.000 0.486 294 T N 0.277 114.173 114.554 -1.097 0.000 2.718 294 T HA 0.386 4.736 4.350 0.001 0.000 0.306 294 T C -2.219 172.115 174.700 -0.610 0.000 1.485 294 T CA -0.611 60.997 62.100 -0.820 0.000 0.997 294 T CB 1.724 70.378 68.868 -0.357 0.000 1.504 294 T HN 0.532 nan 8.240 nan 0.000 0.497 295 N N 1.220 119.658 118.700 -0.436 0.000 2.284 295 N HA 0.436 5.176 4.740 0.001 0.000 0.289 295 N C -1.721 173.542 175.510 -0.412 0.000 1.179 295 N CA -0.714 51.915 53.050 -0.702 0.000 0.774 295 N CB 2.227 39.677 38.487 -1.728 0.000 1.548 295 N HN 0.497 nan 8.380 nan 0.000 0.473 296 E N 0.663 120.647 120.200 -0.359 0.000 2.267 296 E HA 0.377 4.727 4.350 0.001 0.000 0.248 296 E C 0.764 177.267 176.600 -0.163 0.000 0.899 296 E CA -0.280 56.002 56.400 -0.196 0.000 0.764 296 E CB 1.093 30.717 29.700 -0.126 0.000 1.227 296 E HN 0.972 nan 8.360 nan 0.000 0.421 297 G N 3.349 112.083 108.800 -0.109 0.000 2.622 297 G HA2 -0.433 3.527 3.960 0.001 0.000 0.307 297 G HA3 -0.433 3.527 3.960 0.001 0.000 0.307 297 G C 0.994 175.871 174.900 -0.038 0.000 1.226 297 G CA 0.941 46.030 45.100 -0.019 0.000 0.997 297 G HN 0.548 nan 8.290 nan 0.000 0.551 298 T N -1.385 113.175 114.554 0.011 0.000 3.100 298 T HA 0.412 4.763 4.350 0.001 0.000 0.253 298 T C 0.950 175.608 174.700 -0.071 0.000 1.118 298 T CA 0.996 63.086 62.100 -0.016 0.000 1.058 298 T CB 0.166 69.091 68.868 0.095 0.000 0.953 298 T HN 0.990 nan 8.240 nan 0.000 0.515 299 V N 2.754 122.613 119.914 -0.093 0.000 2.372 299 V HA 0.388 4.508 4.120 0.001 0.000 0.261 299 V C -0.597 175.374 176.094 -0.205 0.000 1.055 299 V CA -0.759 61.501 62.300 -0.067 0.000 0.930 299 V CB -0.731 31.064 31.823 -0.046 0.000 1.031 299 V HN 0.311 nan 8.190 nan 0.000 0.479 300 F N 2.416 122.161 119.950 -0.341 0.000 2.427 300 F HA 0.440 4.967 4.527 0.001 0.000 0.346 300 F C 0.926 176.511 175.800 -0.358 0.000 1.120 300 F CA -0.425 57.327 58.000 -0.414 0.000 1.033 300 F CB 1.796 40.469 39.000 -0.544 0.000 1.126 300 F HN 0.318 nan 8.300 nan 0.000 0.462 301 T N 5.053 119.402 114.554 -0.341 0.000 2.743 301 T HA 0.458 4.809 4.350 0.001 0.000 0.293 301 T C -0.760 173.699 174.700 -0.403 0.000 0.945 301 T CA -0.084 61.855 62.100 -0.267 0.000 1.030 301 T CB -0.118 68.609 68.868 -0.234 0.000 0.912 301 T HN 0.153 nan 8.240 nan 0.000 0.483 302 F N 1.932 121.901 119.950 0.030 0.000 2.532 302 F HA 0.472 4.999 4.527 0.001 0.000 0.321 302 F C 0.482 176.298 175.800 0.026 0.000 1.089 302 F CA -1.283 56.759 58.000 0.069 0.000 0.926 302 F CB 1.766 40.848 39.000 0.136 0.000 1.168 302 F HN 0.294 nan 8.300 nan 0.000 0.459 303 K N 1.696 122.232 120.400 0.226 0.000 2.297 303 K HA 0.444 4.765 4.320 0.001 0.000 0.286 303 K C -0.563 176.127 176.600 0.150 0.000 1.053 303 K CA 0.044 56.423 56.287 0.154 0.000 0.940 303 K CB 0.952 33.518 32.500 0.111 0.000 1.019 303 K HN 0.759 nan 8.250 nan 0.000 0.475 304 T N 1.888 116.488 114.554 0.077 0.000 2.906 304 T HA 0.278 4.629 4.350 0.001 0.000 0.295 304 T C -0.205 174.388 174.700 -0.179 0.000 1.075 304 T CA -0.862 61.159 62.100 -0.132 0.000 1.005 304 T CB 0.815 69.525 68.868 -0.263 0.000 1.136 304 T HN 0.804 nan 8.240 nan 0.000 0.498 305 N N 1.222 119.679 118.700 -0.405 0.000 2.177 305 N HA 0.126 4.866 4.740 0.001 0.000 0.218 305 N C 0.178 175.477 175.510 -0.351 0.000 1.182 305 N CA -0.496 52.212 53.050 -0.571 0.000 0.882 305 N CB -0.108 37.788 38.487 -0.985 0.000 1.052 305 N HN 0.395 nan 8.380 nan 0.000 0.519 306 R N 1.677 121.983 120.500 -0.323 0.000 2.446 306 R HA -0.026 4.315 4.340 0.001 0.000 0.314 306 R C -0.054 176.092 176.300 -0.256 0.000 1.003 306 R CA 0.353 56.261 56.100 -0.320 0.000 1.018 306 R CB -0.750 29.428 30.300 -0.203 0.000 0.945 306 R HN 0.269 nan 8.270 nan 0.000 0.419 307 H N 0.890 119.957 119.070 -0.005 0.000 2.932 307 H HA -0.194 4.363 4.556 0.001 0.000 0.290 307 H C -0.845 174.476 175.328 -0.012 0.000 1.108 307 H CA 1.405 57.454 56.048 0.001 0.000 1.172 307 H CB -1.983 27.795 29.762 0.027 0.000 1.325 307 H HN 0.591 nan 8.280 nan 0.000 0.354 308 S N -1.027 114.673 115.700 0.000 0.000 2.312 308 S HA 0.295 4.766 4.470 0.001 0.000 0.173 308 S C -1.688 172.832 174.600 -0.132 0.000 1.488 308 S CA -0.936 57.253 58.200 -0.019 0.000 1.239 308 S CB 2.819 66.026 63.200 0.011 0.000 1.215 308 S HN -0.116 nan 8.310 nan 0.000 0.438 309 P HA -0.119 nan 4.420 nan 0.000 0.218 309 P C 0.505 177.799 177.300 -0.011 0.000 1.146 309 P CA 1.188 64.236 63.100 -0.086 0.000 0.813 309 P CB -0.021 31.695 31.700 0.026 0.000 0.778 310 N N -1.891 116.868 118.700 0.097 0.000 2.398 310 N HA 0.008 4.748 4.740 0.001 0.000 0.188 310 N C -0.232 175.519 175.510 0.403 0.000 1.122 310 N CA 0.123 53.335 53.050 0.269 0.000 0.866 310 N CB -0.413 38.222 38.487 0.246 0.000 0.970 310 N HN 0.166 nan 8.380 nan 0.000 0.462 311 Y N -0.269 120.068 120.300 0.062 0.000 2.524 311 Y HA -0.301 4.249 4.550 0.001 0.000 0.021 311 Y C 0.525 176.451 175.900 0.042 0.000 1.721 311 Y CA -0.208 57.908 58.100 0.026 0.000 1.407 311 Y CB -0.524 37.930 38.460 -0.012 0.000 2.054 311 Y HN 0.223 nan 8.280 nan 0.000 0.256 312 R N 0.815 121.412 120.500 0.162 0.000 2.762 312 R HA 0.904 5.244 4.340 0.001 0.000 0.271 312 R C -2.204 174.148 176.300 0.087 0.000 1.038 312 R CA -1.346 54.824 56.100 0.116 0.000 0.906 312 R CB 1.517 31.886 30.300 0.114 0.000 1.259 312 R HN 0.505 nan 8.270 nan 0.000 0.457 313 L N 2.371 123.635 121.223 0.068 0.000 2.287 313 L HA 0.580 4.921 4.340 0.001 0.000 0.287 313 L C -0.266 176.657 176.870 0.088 0.000 1.022 313 L CA -0.942 53.933 54.840 0.058 0.000 0.814 313 L CB 1.551 43.612 42.059 0.004 0.000 1.217 313 L HN 0.561 nan 8.230 nan 0.000 0.420 314 I N 0.181 120.817 120.570 0.111 0.000 2.740 314 I HA 0.511 4.682 4.170 0.001 0.000 0.303 314 I C -0.721 175.458 176.117 0.104 0.000 1.044 314 I CA -0.701 60.673 61.300 0.123 0.000 1.064 314 I CB 2.067 40.148 38.000 0.136 0.000 1.249 314 I HN 0.466 nan 8.210 nan 0.000 0.433 315 N N 4.492 123.249 118.700 0.095 0.000 2.424 315 N HA 0.574 5.315 4.740 0.001 0.000 0.271 315 N C -1.246 174.301 175.510 0.062 0.000 0.985 315 N CA -0.582 52.514 53.050 0.077 0.000 0.921 315 N CB 1.894 40.422 38.487 0.068 0.000 1.149 315 N HN 0.469 nan 8.380 nan 0.000 0.492 316 I N 1.322 121.931 120.570 0.065 0.000 2.362 316 I HA 0.138 4.309 4.170 0.001 0.000 0.289 316 I C -0.365 175.876 176.117 0.207 0.000 0.994 316 I CA -0.658 60.659 61.300 0.028 0.000 1.158 316 I CB 1.348 39.270 38.000 -0.131 0.000 1.315 316 I HN 0.388 nan 8.210 nan 0.000 0.451 317 D N 6.013 126.556 120.400 0.238 0.000 2.316 317 D HA 0.124 4.765 4.640 0.001 0.000 0.245 317 D C 0.844 177.352 176.300 0.346 0.000 1.171 317 D CA -0.190 53.944 54.000 0.224 0.000 0.856 317 D CB 0.834 41.744 40.800 0.184 0.000 1.090 317 D HN 0.237 nan 8.370 nan 0.000 0.476 318 F N 1.545 121.510 119.950 0.024 0.000 2.250 318 F HA -0.155 4.372 4.527 0.001 0.000 0.301 318 F C 2.583 178.426 175.800 0.072 0.000 1.077 318 F CA 1.352 59.323 58.000 -0.049 0.000 1.348 318 F CB -1.218 37.584 39.000 -0.330 0.000 1.040 318 F HN 0.451 nan 8.300 nan 0.000 0.509 319 T N -4.035 110.683 114.554 0.274 0.000 3.129 319 T HA 0.020 4.370 4.350 0.001 0.000 0.251 319 T C 0.453 175.253 174.700 0.168 0.000 1.117 319 T CA 0.536 62.754 62.100 0.197 0.000 1.034 319 T CB -0.032 68.932 68.868 0.161 0.000 0.968 319 T HN -0.001 nan 8.240 nan 0.000 0.526 320 D N 1.564 122.081 120.400 0.195 0.000 2.849 320 D HA 0.294 4.934 4.640 0.001 0.000 0.314 320 D C -2.038 174.407 176.300 0.241 0.000 1.210 320 D CA -1.860 52.248 54.000 0.181 0.000 0.756 320 D CB 1.295 42.193 40.800 0.162 0.000 1.222 320 D HN 0.078 nan 8.370 nan 0.000 0.521 321 P HA 0.002 nan 4.420 nan 0.000 0.236 321 P C 0.060 177.577 177.300 0.362 0.000 1.177 321 P CA 0.182 63.477 63.100 0.325 0.000 0.773 321 P CB 0.492 32.317 31.700 0.208 0.000 0.878 322 E N 0.667 120.960 120.200 0.155 0.000 2.413 322 E HA -0.057 4.293 4.350 0.001 0.000 0.263 322 E C 1.214 177.601 176.600 -0.354 0.000 1.015 322 E CA -0.015 56.359 56.400 -0.044 0.000 0.916 322 E CB 0.592 30.264 29.700 -0.047 0.000 0.947 322 E HN 0.182 nan 8.360 nan 0.000 0.440 323 E N 1.887 121.619 120.200 -0.780 0.000 2.118 323 E HA -0.243 4.107 4.350 0.001 0.000 0.195 323 E C 1.677 177.823 176.600 -0.757 0.000 0.992 323 E CA 1.589 57.031 56.400 -1.597 0.000 0.804 323 E CB 0.091 29.062 29.700 -1.215 0.000 0.741 323 E HN 0.567 nan 8.360 nan 0.000 0.458 324 S N -0.036 115.448 115.700 -0.360 0.000 2.440 324 S HA -0.114 4.356 4.470 0.001 0.000 0.238 324 S C 1.596 176.169 174.600 -0.044 0.000 1.010 324 S CA 0.834 58.945 58.200 -0.148 0.000 0.972 324 S CB -0.039 63.103 63.200 -0.096 0.000 0.774 324 S HN 0.104 nan 8.310 nan 0.000 0.501 325 K N -0.314 120.076 120.400 -0.017 0.000 2.361 325 K HA 0.192 4.512 4.320 0.001 0.000 0.194 325 K C -0.165 176.610 176.600 0.292 0.000 1.032 325 K CA -0.273 56.091 56.287 0.127 0.000 1.048 325 K CB -0.191 32.393 32.500 0.141 0.000 0.842 325 K HN 0.437 nan 8.250 nan 0.000 0.526 326 W N 3.091 124.453 121.300 0.103 0.000 2.231 326 W HA 0.004 4.664 4.660 0.001 0.000 0.341 326 W C 0.663 177.249 176.519 0.112 0.000 1.298 326 W CA -0.419 57.001 57.345 0.126 0.000 1.266 326 W CB 0.081 29.629 29.460 0.146 0.000 1.172 326 W HN -0.254 nan 8.180 nan 0.000 0.568 327 K N 2.500 123.092 120.400 0.321 0.000 2.206 327 K HA 0.409 4.730 4.320 0.001 0.000 0.264 327 K C -0.822 175.891 176.600 0.189 0.000 0.967 327 K CA -1.069 55.343 56.287 0.209 0.000 0.844 327 K CB 1.983 34.573 32.500 0.149 0.000 1.099 327 K HN 0.085 nan 8.250 nan 0.000 0.441 328 V N 5.122 125.135 119.914 0.165 0.000 2.356 328 V HA 0.002 4.123 4.120 0.001 0.000 0.258 328 V C 1.449 177.608 176.094 0.109 0.000 1.065 328 V CA -0.212 62.175 62.300 0.144 0.000 0.935 328 V CB 0.409 32.315 31.823 0.139 0.000 1.061 328 V HN 0.662 nan 8.190 nan 0.000 0.484 329 L N 6.269 127.549 121.223 0.095 0.000 2.044 329 L HA 0.151 4.491 4.340 0.001 0.000 0.205 329 L C 0.841 177.757 176.870 0.076 0.000 1.075 329 L CA 1.918 56.803 54.840 0.075 0.000 0.747 329 L CB 0.442 42.532 42.059 0.052 0.000 0.903 329 L HN 0.437 nan 8.230 nan 0.000 0.435 330 V N 1.226 121.181 119.914 0.069 0.000 2.385 330 V HA 0.368 4.488 4.120 0.001 0.000 0.277 330 V C -2.295 173.858 176.094 0.098 0.000 1.012 330 V CA -1.570 60.775 62.300 0.075 0.000 0.832 330 V CB 0.841 32.668 31.823 0.007 0.000 1.028 330 V HN 0.098 nan 8.190 nan 0.000 0.436 331 P HA 0.033 nan 4.420 nan 0.000 0.269 331 P C 0.112 177.492 177.300 0.133 0.000 1.217 331 P CA -0.031 63.133 63.100 0.107 0.000 0.783 331 P CB 0.647 32.397 31.700 0.083 0.000 0.898 332 E N 1.584 121.860 120.200 0.126 0.000 2.414 332 E HA -0.080 4.271 4.350 0.001 0.000 0.263 332 E C -0.125 176.568 176.600 0.155 0.000 1.000 332 E CA -0.063 56.430 56.400 0.155 0.000 0.914 332 E CB 0.260 30.030 29.700 0.117 0.000 0.948 332 E HN 0.452 nan 8.360 nan 0.000 0.444 333 H N 3.540 122.688 119.070 0.131 0.000 2.629 333 H HA -0.010 4.547 4.556 0.001 0.000 0.357 333 H C 0.807 176.176 175.328 0.068 0.000 1.121 333 H CA 0.334 56.424 56.048 0.071 0.000 1.406 333 H CB 1.422 31.200 29.762 0.026 0.000 1.456 333 H HN 0.812 nan 8.280 nan 0.000 0.579 334 E N 2.810 122.816 120.200 -0.324 0.000 2.097 334 E HA -0.219 4.131 4.350 0.001 0.000 0.196 334 E C 1.258 177.917 176.600 0.099 0.000 1.000 334 E CA 1.730 58.060 56.400 -0.117 0.000 0.804 334 E CB 0.333 29.898 29.700 -0.224 0.000 0.740 334 E HN 0.584 nan 8.360 nan 0.000 0.454 335 K N -0.611 119.989 120.400 0.333 0.000 2.485 335 K HA 0.033 4.353 4.320 0.001 0.000 0.200 335 K C -0.523 176.269 176.600 0.320 0.000 1.352 335 K CA -0.013 56.452 56.287 0.296 0.000 0.953 335 K CB 0.685 33.322 32.500 0.229 0.000 1.387 335 K HN -0.101 nan 8.250 nan 0.000 0.512 336 D N 2.093 122.690 120.400 0.328 0.000 2.417 336 D HA 0.039 4.679 4.640 0.001 0.000 0.250 336 D C -0.609 175.837 176.300 0.244 0.000 1.166 336 D CA 0.126 54.185 54.000 0.099 0.000 0.881 336 D CB 1.388 41.961 40.800 -0.379 0.000 1.164 336 D HN -0.108 nan 8.370 nan 0.000 0.467 337 V N 3.342 123.365 119.914 0.182 0.000 2.508 337 V HA 0.004 4.125 4.120 0.001 0.000 0.281 337 V C 0.471 176.621 176.094 0.094 0.000 1.041 337 V CA -0.742 61.653 62.300 0.159 0.000 1.016 337 V CB 1.108 32.955 31.823 0.040 0.000 0.984 337 V HN 0.336 nan 8.190 nan 0.000 0.478 338 L N 5.136 126.357 121.223 -0.003 0.000 2.363 338 L HA 0.259 4.599 4.340 0.001 0.000 0.286 338 L C 1.169 177.784 176.870 -0.425 0.000 1.106 338 L CA 0.737 55.315 54.840 -0.436 0.000 0.859 338 L CB -0.007 41.826 42.059 -0.377 0.000 1.223 338 L HN 0.734 nan 8.230 nan 0.000 0.446 339 E N 5.202 125.125 120.200 -0.463 0.000 2.046 339 E HA -0.019 4.331 4.350 0.001 0.000 0.190 339 E C -0.603 175.883 176.600 -0.191 0.000 0.982 339 E CA 1.320 57.520 56.400 -0.333 0.000 0.800 339 E CB 0.264 29.816 29.700 -0.248 0.000 0.756 339 E HN 0.735 nan 8.360 nan 0.000 0.449 340 W N -1.679 119.446 121.300 -0.291 0.000 3.153 340 W HA 0.527 5.187 4.660 0.001 0.000 0.316 340 W C -1.786 174.574 176.519 -0.265 0.000 1.255 340 W CA -0.793 56.407 57.345 -0.241 0.000 1.192 340 W CB 0.543 29.892 29.460 -0.184 0.000 1.400 340 W HN -0.408 nan 8.180 nan 0.000 0.568 341 V N 1.408 121.416 119.914 0.156 0.000 2.760 341 V HA 0.842 4.963 4.120 0.001 0.000 0.309 341 V C -0.289 175.880 176.094 0.124 0.000 1.077 341 V CA -0.707 61.603 62.300 0.016 0.000 0.910 341 V CB 1.164 32.926 31.823 -0.101 0.000 1.008 341 V HN 0.880 nan 8.190 nan 0.000 0.424 342 A N 2.255 125.124 122.820 0.081 0.000 2.435 342 A HA 0.772 5.093 4.320 0.001 0.000 0.304 342 A C -0.811 176.834 177.584 0.101 0.000 1.064 342 A CA -0.481 51.612 52.037 0.093 0.000 0.727 342 A CB 1.748 20.799 19.000 0.085 0.000 1.284 342 A HN 1.038 nan 8.150 nan 0.000 0.415 343 C N 2.172 121.531 119.300 0.099 0.000 2.319 343 C HA 0.813 5.274 4.460 0.001 0.000 0.335 343 C C -0.218 174.876 174.990 0.174 0.000 1.274 343 C CA -0.085 58.993 59.018 0.099 0.000 1.806 343 C CB -0.095 27.642 27.740 -0.004 0.000 2.329 343 C HN 1.053 nan 8.230 nan 0.000 0.524 344 V N 6.750 126.793 119.914 0.214 0.000 3.114 344 V HA 0.669 4.789 4.120 0.001 0.000 0.308 344 V C 0.347 176.562 176.094 0.202 0.000 1.168 344 V CA -0.615 61.827 62.300 0.235 0.000 1.015 344 V CB 1.779 33.792 31.823 0.316 0.000 1.050 344 V HN 1.017 nan 8.190 nan 0.000 0.433 345 R N 3.250 123.839 120.500 0.148 0.000 3.322 345 R HA -0.226 4.115 4.340 0.001 0.000 0.253 345 R C 0.963 177.236 176.300 -0.046 0.000 0.987 345 R CA 0.885 57.024 56.100 0.065 0.000 0.666 345 R CB -1.435 28.931 30.300 0.110 0.000 1.072 345 R HN 1.408 nan 8.270 nan 0.000 0.447 346 S N -2.200 113.494 115.700 -0.009 0.000 1.694 346 S HA -0.362 4.108 4.470 0.001 0.000 0.236 346 S C 0.634 175.196 174.600 -0.063 0.000 0.821 346 S CA 1.987 60.163 58.200 -0.041 0.000 1.530 346 S CB -1.027 62.133 63.200 -0.067 0.000 1.703 346 S HN 0.911 nan 8.310 nan 0.000 0.517 347 N N 0.275 118.887 118.700 -0.147 0.000 2.291 347 N HA 0.455 5.195 4.740 0.001 0.000 0.244 347 N C -0.744 174.717 175.510 -0.082 0.000 1.216 347 N CA -0.417 52.551 53.050 -0.137 0.000 0.879 347 N CB 0.380 38.764 38.487 -0.173 0.000 1.167 347 N HN 0.299 nan 8.380 nan 0.000 0.515 348 F N 1.230 121.207 119.950 0.045 0.000 2.470 348 F HA 0.571 5.098 4.527 0.001 0.000 0.329 348 F C 0.084 175.925 175.800 0.069 0.000 1.072 348 F CA -1.356 56.684 58.000 0.067 0.000 0.989 348 F CB 1.379 40.435 39.000 0.094 0.000 1.193 348 F HN -0.081 nan 8.300 nan 0.000 0.481 349 L N 2.635 124.041 121.223 0.305 0.000 2.362 349 L HA 0.583 4.923 4.340 0.001 0.000 0.275 349 L C -1.084 175.862 176.870 0.128 0.000 0.998 349 L CA -1.011 53.923 54.840 0.157 0.000 0.820 349 L CB 2.101 44.204 42.059 0.073 0.000 1.270 349 L HN 0.159 nan 8.230 nan 0.000 0.415 350 V N 4.833 124.790 119.914 0.072 0.000 2.333 350 V HA 0.373 4.493 4.120 0.001 0.000 0.274 350 V C 0.104 176.069 176.094 -0.215 0.000 1.028 350 V CA -0.381 61.919 62.300 0.000 0.000 0.851 350 V CB 1.291 33.121 31.823 0.012 0.000 1.000 350 V HN 0.463 nan 8.190 nan 0.000 0.456 351 L N 4.386 125.450 121.223 -0.265 0.000 2.307 351 L HA 0.534 4.875 4.340 0.001 0.000 0.284 351 L C -0.206 176.257 176.870 -0.679 0.000 1.023 351 L CA -0.245 54.284 54.840 -0.519 0.000 0.810 351 L CB 1.678 43.425 42.059 -0.520 0.000 1.231 351 L HN 0.638 nan 8.230 nan 0.000 0.423 352 C N 3.835 122.474 119.300 -1.102 0.000 2.264 352 C HA 0.563 5.024 4.460 0.001 0.000 0.324 352 C C -0.265 174.264 174.990 -0.767 0.000 1.267 352 C CA -0.345 58.047 59.018 -1.044 0.000 1.618 352 C CB -0.300 26.325 27.740 -1.858 0.000 2.278 352 C HN 0.609 nan 8.230 nan 0.000 0.499 353 Y N 3.975 124.065 120.300 -0.351 0.000 2.420 353 Y HA 0.639 5.189 4.550 0.001 0.000 0.334 353 Y C 0.013 175.819 175.900 -0.158 0.000 1.094 353 Y CA -0.669 57.291 58.100 -0.233 0.000 1.126 353 Y CB 1.389 39.733 38.460 -0.194 0.000 1.217 353 Y HN 0.524 nan 8.280 nan 0.000 0.462 354 L N 3.740 125.001 121.223 0.064 0.000 2.277 354 L HA 0.310 4.650 4.340 0.001 0.000 0.284 354 L C -1.197 175.698 176.870 0.041 0.000 1.028 354 L CA -0.422 54.428 54.840 0.017 0.000 0.835 354 L CB 0.004 42.023 42.059 -0.066 0.000 1.215 354 L HN 0.646 nan 8.230 nan 0.000 0.425 355 H N 4.247 123.301 119.070 -0.027 0.000 2.595 355 H HA 0.329 4.885 4.556 0.001 0.000 0.313 355 H C -0.487 174.853 175.328 0.021 0.000 1.023 355 H CA -0.350 55.682 56.048 -0.026 0.000 1.218 355 H CB 0.434 30.167 29.762 -0.048 0.000 1.403 355 H HN 0.652 nan 8.280 nan 0.000 0.477 356 D N 4.584 124.753 120.400 -0.384 0.000 2.689 356 D HA -0.182 4.459 4.640 0.001 0.000 0.237 356 D C 0.282 176.519 176.300 -0.104 0.000 1.148 356 D CA 1.186 55.060 54.000 -0.209 0.000 0.656 356 D CB -1.194 39.500 40.800 -0.176 0.000 1.050 356 D HN 0.627 nan 8.370 nan 0.000 0.426 357 V N -2.795 117.014 119.914 -0.176 0.000 4.032 357 V HA -0.363 3.758 4.120 0.001 0.000 0.231 357 V C 0.587 176.788 176.094 0.178 0.000 0.429 357 V CA 1.968 64.259 62.300 -0.015 0.000 0.934 357 V CB -1.989 29.846 31.823 0.020 0.000 1.004 357 V HN 0.516 nan 8.190 nan 0.000 1.283 358 K N 0.005 120.487 120.400 0.135 0.000 2.426 358 K HA 0.643 4.963 4.320 0.001 0.000 0.251 358 K C -0.379 176.301 176.600 0.134 0.000 0.941 358 K CA -0.734 55.657 56.287 0.172 0.000 0.808 358 K CB 1.955 34.597 32.500 0.236 0.000 1.265 358 K HN 0.307 nan 8.250 nan 0.000 0.432 359 N N 0.831 119.611 118.700 0.134 0.000 2.499 359 N HA 0.237 4.978 4.740 0.001 0.000 0.281 359 N C -0.987 174.589 175.510 0.110 0.000 1.098 359 N CA -0.255 52.859 53.050 0.107 0.000 0.979 359 N CB 1.084 39.642 38.487 0.119 0.000 1.121 359 N HN 0.589 nan 8.380 nan 0.000 0.466 360 T N -0.278 114.311 114.554 0.059 0.000 2.863 360 T HA 0.571 4.921 4.350 0.001 0.000 0.285 360 T C -0.900 173.789 174.700 -0.018 0.000 1.009 360 T CA -0.825 61.290 62.100 0.025 0.000 0.989 360 T CB 1.230 70.096 68.868 -0.002 0.000 1.004 360 T HN 0.177 nan 8.240 nan 0.000 0.455 361 L N 2.410 123.615 121.223 -0.030 0.000 2.356 361 L HA 0.565 4.906 4.340 0.001 0.000 0.277 361 L C -0.655 176.256 176.870 0.067 0.000 0.996 361 L CA -0.197 54.608 54.840 -0.059 0.000 0.822 361 L CB 1.798 43.761 42.059 -0.160 0.000 1.256 361 L HN 0.851 nan 8.230 nan 0.000 0.413 362 Q N 3.948 123.780 119.800 0.053 0.000 2.413 362 Q HA 0.577 4.918 4.340 0.001 0.000 0.276 362 Q C -1.605 174.448 176.000 0.088 0.000 1.099 362 Q CA -1.043 54.769 55.803 0.015 0.000 0.814 362 Q CB 3.121 31.944 28.738 0.142 0.000 1.379 362 Q HN 0.498 nan 8.270 nan 0.000 0.436 363 L N 1.704 122.835 121.223 -0.152 0.000 2.307 363 L HA 0.436 4.776 4.340 0.001 0.000 0.284 363 L C -1.122 175.662 176.870 -0.143 0.000 1.023 363 L CA -0.019 54.750 54.840 -0.118 0.000 0.810 363 L CB 0.896 42.713 42.059 -0.403 0.000 1.231 363 L HN 0.606 nan 8.230 nan 0.000 0.423 364 H N 1.721 120.747 119.070 -0.074 0.000 2.747 364 H HA 0.258 4.814 4.556 0.001 0.000 0.371 364 H C -1.364 174.036 175.328 0.120 0.000 1.161 364 H CA -0.916 55.133 56.048 0.001 0.000 1.167 364 H CB 2.266 32.038 29.762 0.015 0.000 1.732 364 H HN 0.559 nan 8.280 nan 0.000 0.544 365 D N 1.454 121.990 120.400 0.226 0.000 2.351 365 D HA -0.022 4.619 4.640 0.001 0.000 0.251 365 D C 0.946 177.346 176.300 0.166 0.000 1.137 365 D CA -0.409 53.728 54.000 0.227 0.000 0.879 365 D CB 1.098 41.985 40.800 0.144 0.000 1.181 365 D HN 0.302 nan 8.370 nan 0.000 0.448 366 L N 4.999 126.299 121.223 0.129 0.000 2.056 366 L HA 0.017 4.358 4.340 0.001 0.000 0.207 366 L C 1.978 178.870 176.870 0.036 0.000 1.078 366 L CA 2.306 57.183 54.840 0.061 0.000 0.749 366 L CB -0.879 41.191 42.059 0.018 0.000 0.901 366 L HN 0.583 nan 8.230 nan 0.000 0.433 367 A N -1.207 121.631 122.820 0.030 0.000 1.902 367 A HA -0.201 4.119 4.320 0.001 0.000 0.217 367 A C 2.275 179.881 177.584 0.036 0.000 1.181 367 A CA 2.562 54.611 52.037 0.021 0.000 0.623 367 A CB -1.113 17.895 19.000 0.013 0.000 0.818 367 A HN 0.630 nan 8.150 nan 0.000 0.443 368 T N -6.126 108.460 114.554 0.053 0.000 2.978 368 T HA 0.436 4.786 4.350 0.001 0.000 0.248 368 T C 1.490 176.238 174.700 0.080 0.000 1.018 368 T CA 1.086 63.221 62.100 0.058 0.000 1.026 368 T CB 0.390 69.288 68.868 0.051 0.000 1.032 368 T HN 1.741 nan 8.240 nan 0.000 0.485 369 G N 1.758 110.622 108.800 0.107 0.000 2.176 369 G HA2 -0.050 3.910 3.960 0.001 0.000 0.253 369 G HA3 -0.050 3.910 3.960 0.001 0.000 0.253 369 G C 0.348 175.400 174.900 0.254 0.000 0.979 369 G CA -0.033 45.163 45.100 0.160 0.000 0.641 369 G HN 1.229 nan 8.290 nan 0.000 0.530 370 A N 0.168 123.071 122.820 0.137 0.000 2.477 370 A HA 0.613 4.933 4.320 0.001 0.000 0.246 370 A C 0.666 178.179 177.584 -0.120 0.000 1.078 370 A CA 0.361 52.426 52.037 0.048 0.000 0.770 370 A CB 0.488 19.494 19.000 0.011 0.000 1.011 370 A HN 1.721 nan 8.150 nan 0.000 0.494 371 L N 2.691 123.714 121.223 -0.333 0.000 2.499 371 L HA 0.238 4.578 4.340 0.001 0.000 0.273 371 L C 0.451 177.091 176.870 -0.384 0.000 1.195 371 L CA 0.689 55.107 54.840 -0.702 0.000 0.882 371 L CB 0.117 41.874 42.059 -0.503 0.000 1.133 371 L HN 0.730 nan 8.230 nan 0.000 0.483 372 L N 2.951 123.932 121.223 -0.403 0.000 2.600 372 L HA 0.389 4.729 4.340 0.001 0.000 0.213 372 L C 0.218 176.894 176.870 -0.324 0.000 1.045 372 L CA -0.083 54.588 54.840 -0.281 0.000 0.863 372 L CB 0.085 42.005 42.059 -0.232 0.000 1.189 372 L HN 0.634 nan 8.230 nan 0.000 0.484 373 K N 0.584 120.722 120.400 -0.438 0.000 2.550 373 K HA 0.423 4.743 4.320 0.001 0.000 0.252 373 K C -1.468 174.755 176.600 -0.628 0.000 0.943 373 K CA -0.334 55.640 56.287 -0.521 0.000 0.806 373 K CB 1.748 33.864 32.500 -0.641 0.000 1.289 373 K HN -0.148 nan 8.250 nan 0.000 0.435 374 I N 4.994 125.273 120.570 -0.486 0.000 2.342 374 I HA 0.264 4.434 4.170 0.001 0.000 0.291 374 I C -0.350 175.490 176.117 -0.463 0.000 1.010 374 I CA -0.502 60.552 61.300 -0.409 0.000 1.308 374 I CB 0.381 38.242 38.000 -0.233 0.000 1.400 374 I HN 0.528 nan 8.210 nan 0.000 0.488 375 F N 7.332 127.171 119.950 -0.186 0.000 2.444 375 F HA 0.280 4.807 4.527 0.001 0.000 0.360 375 F C -1.614 174.070 175.800 -0.194 0.000 1.106 375 F CA -2.372 55.508 58.000 -0.200 0.000 1.170 375 F CB 0.014 38.820 39.000 -0.323 0.000 1.113 375 F HN 0.272 nan 8.300 nan 0.000 0.521 376 P HA 0.236 nan 4.420 nan 0.000 0.271 376 P C -0.754 176.448 177.300 -0.164 0.000 1.233 376 P CA 0.181 63.228 63.100 -0.088 0.000 0.764 376 P CB 1.057 32.711 31.700 -0.077 0.000 0.825 377 L N 1.942 123.069 121.223 -0.161 0.000 2.309 377 L HA 0.449 4.789 4.340 0.001 0.000 0.261 377 L C 0.881 177.608 176.870 -0.239 0.000 1.021 377 L CA -1.143 53.522 54.840 -0.291 0.000 0.823 377 L CB 1.870 43.808 42.059 -0.202 0.000 1.366 377 L HN 0.237 nan 8.230 nan 0.000 0.423 378 E N 0.446 120.396 120.200 -0.415 0.000 2.385 378 E HA 0.200 4.551 4.350 0.001 0.000 0.254 378 E C -0.662 176.014 176.600 0.126 0.000 1.228 378 E CA -0.483 55.844 56.400 -0.122 0.000 0.956 378 E CB 1.662 31.322 29.700 -0.066 0.000 1.116 378 E HN 0.333 nan 8.360 nan 0.000 0.507 379 V N -0.867 119.191 119.914 0.239 0.000 2.470 379 V HA 0.604 4.724 4.120 0.001 0.000 0.276 379 V C 0.307 176.617 176.094 0.360 0.000 1.040 379 V CA 1.168 63.638 62.300 0.284 0.000 1.008 379 V CB -0.034 31.924 31.823 0.225 0.000 0.990 379 V HN 0.779 nan 8.190 nan 0.000 0.477 380 G N 4.404 113.374 108.800 0.283 0.000 2.455 380 G HA2 0.408 4.368 3.960 0.001 0.000 0.223 380 G HA3 0.408 4.368 3.960 0.001 0.000 0.223 380 G C -0.807 174.046 174.900 -0.078 0.000 1.226 380 G CA -0.080 44.975 45.100 -0.075 0.000 0.948 380 G HN 1.134 nan 8.290 nan 0.000 0.478 381 S N -1.139 114.347 115.700 -0.357 0.000 2.542 381 S HA 0.662 5.133 4.470 0.001 0.000 0.293 381 S C -0.582 174.013 174.600 -0.008 0.000 1.089 381 S CA -0.511 57.615 58.200 -0.125 0.000 0.961 381 S CB 2.048 65.154 63.200 -0.156 0.000 1.062 381 S HN 0.910 nan 8.310 nan 0.000 0.483 382 V N 3.254 123.283 119.914 0.192 0.000 2.348 382 V HA 0.198 4.319 4.120 0.001 0.000 0.270 382 V C 0.895 177.152 176.094 0.272 0.000 1.037 382 V CA -0.295 62.201 62.300 0.328 0.000 0.872 382 V CB 0.755 32.839 31.823 0.434 0.000 1.002 382 V HN 0.861 nan 8.190 nan 0.000 0.464 383 V N 1.857 121.895 119.914 0.206 0.000 3.578 383 V HA 0.666 4.786 4.120 0.001 0.000 0.290 383 V C 0.708 176.885 176.094 0.138 0.000 1.376 383 V CA 0.573 62.953 62.300 0.133 0.000 1.083 383 V CB 0.191 32.057 31.823 0.071 0.000 0.911 383 V HN 0.758 nan 8.190 nan 0.000 0.433 384 G N -0.686 108.246 108.800 0.220 0.000 2.696 384 G HA2 0.630 4.591 3.960 0.001 0.000 0.295 384 G HA3 0.630 4.591 3.960 0.001 0.000 0.295 384 G C -2.259 172.841 174.900 0.333 0.000 1.398 384 G CA -0.823 44.408 45.100 0.217 0.000 0.920 384 G HN 0.356 nan 8.290 nan 0.000 0.492 385 Y N 0.821 121.179 120.300 0.097 0.000 2.521 385 Y HA 0.653 5.203 4.550 0.001 0.000 0.332 385 Y C -0.778 175.209 175.900 0.144 0.000 1.121 385 Y CA -0.799 57.384 58.100 0.139 0.000 1.037 385 Y CB 2.112 40.533 38.460 -0.066 0.000 1.330 385 Y HN 1.065 nan 8.280 nan 0.000 0.452 386 S N 3.601 118.875 115.700 -0.710 0.000 2.548 386 S HA 0.892 5.363 4.470 0.001 0.000 0.276 386 S C -0.683 173.497 174.600 -0.699 0.000 1.129 386 S CA -0.148 57.770 58.200 -0.472 0.000 0.931 386 S CB 1.520 64.783 63.200 0.106 0.000 1.068 386 S HN 2.002 nan 8.310 nan 0.000 0.480 387 G N 3.302 111.917 108.800 -0.308 0.000 2.145 387 G HA2 0.263 4.224 3.960 0.001 0.000 0.174 387 G HA3 0.263 4.224 3.960 0.001 0.000 0.174 387 G C -0.932 174.092 174.900 0.207 0.000 1.726 387 G CA -0.328 44.766 45.100 -0.010 0.000 1.080 387 G HN 1.034 nan 8.290 nan 0.000 0.606 388 Q N 1.417 121.323 119.800 0.177 0.000 2.199 388 Q HA 0.558 4.899 4.340 0.001 0.000 0.205 388 Q C 1.451 177.548 176.000 0.161 0.000 1.001 388 Q CA -0.683 55.233 55.803 0.188 0.000 1.019 388 Q CB 1.521 30.361 28.738 0.169 0.000 1.132 388 Q HN 0.273 nan 8.270 nan 0.000 0.530 389 K N 0.322 120.806 120.400 0.141 0.000 2.032 389 K HA -0.206 4.114 4.320 0.001 0.000 0.209 389 K C 1.992 178.647 176.600 0.092 0.000 1.048 389 K CA 2.256 58.608 56.287 0.109 0.000 0.927 389 K CB -0.042 32.513 32.500 0.092 0.000 0.712 389 K HN 0.642 nan 8.250 nan 0.000 0.441 390 K N -0.145 120.310 120.400 0.092 0.000 2.366 390 K HA -0.016 4.304 4.320 0.001 0.000 0.198 390 K C -0.242 176.399 176.600 0.069 0.000 1.044 390 K CA 0.533 56.862 56.287 0.070 0.000 0.973 390 K CB 0.039 32.577 32.500 0.064 0.000 0.767 390 K HN 0.007 nan 8.250 nan 0.000 0.475 391 D N 2.496 122.950 120.400 0.089 0.000 2.399 391 D HA -0.031 4.610 4.640 0.001 0.000 0.241 391 D C 0.572 176.937 176.300 0.108 0.000 1.133 391 D CA 0.539 54.598 54.000 0.098 0.000 0.890 391 D CB 1.678 42.552 40.800 0.123 0.000 1.201 391 D HN 0.330 nan 8.370 nan 0.000 0.432 392 T N -1.792 112.826 114.554 0.106 0.000 3.174 392 T HA 0.191 4.541 4.350 0.001 0.000 0.269 392 T C 0.284 175.047 174.700 0.106 0.000 1.017 392 T CA -0.518 61.645 62.100 0.104 0.000 0.899 392 T CB 0.054 68.970 68.868 0.080 0.000 1.077 392 T HN 0.579 nan 8.240 nan 0.000 0.552 393 E N 0.970 121.233 120.200 0.105 0.000 2.430 393 E HA 0.578 4.928 4.350 0.001 0.000 0.279 393 E C -1.458 175.147 176.600 0.008 0.000 1.003 393 E CA -1.369 55.045 56.400 0.023 0.000 0.801 393 E CB 1.731 31.467 29.700 0.061 0.000 1.313 393 E HN 0.400 nan 8.360 nan 0.000 0.459 394 I N -1.603 118.889 120.570 -0.130 0.000 2.689 394 I HA 0.682 4.853 4.170 0.001 0.000 0.299 394 I C -1.346 174.609 176.117 -0.270 0.000 1.059 394 I CA -1.114 60.132 61.300 -0.089 0.000 1.055 394 I CB 1.492 39.533 38.000 0.068 0.000 1.243 394 I HN 0.378 nan 8.210 nan 0.000 0.425 395 F N 4.227 124.177 119.950 -0.000 0.000 2.520 395 F HA 0.685 5.213 4.527 0.001 0.000 0.322 395 F C -0.730 175.163 175.800 0.154 0.000 1.103 395 F CA -0.523 57.483 58.000 0.012 0.000 0.926 395 F CB 2.033 41.017 39.000 -0.027 0.000 1.154 395 F HN 0.523 nan 8.300 nan 0.000 0.453 396 Y N 0.089 120.574 120.300 0.309 0.000 2.479 396 Y HA 0.554 5.104 4.550 0.001 0.000 0.338 396 Y C -1.237 174.906 175.900 0.405 0.000 1.055 396 Y CA -1.387 56.931 58.100 0.363 0.000 1.023 396 Y CB 1.146 39.822 38.460 0.360 0.000 1.287 396 Y HN 0.628 nan 8.280 nan 0.000 0.447 397 Q N 3.789 123.877 119.800 0.480 0.000 2.271 397 Q HA 0.498 4.838 4.340 0.001 0.000 0.258 397 Q C -2.034 174.246 176.000 0.466 0.000 0.936 397 Q CA -0.832 55.201 55.803 0.382 0.000 0.909 397 Q CB 1.397 30.306 28.738 0.285 0.000 1.253 397 Q HN 0.788 nan 8.270 nan 0.000 0.440 398 F N 2.457 122.589 119.950 0.303 0.000 2.469 398 F HA 0.616 5.143 4.527 0.001 0.000 0.332 398 F C -0.656 175.237 175.800 0.156 0.000 1.103 398 F CA -0.179 57.987 58.000 0.277 0.000 0.979 398 F CB 2.133 41.370 39.000 0.396 0.000 1.137 398 F HN 0.503 nan 8.300 nan 0.000 0.463 399 T N 2.992 117.102 114.554 -0.739 0.000 2.865 399 T HA 0.779 5.129 4.350 0.001 0.000 0.294 399 T C -1.189 172.960 174.700 -0.919 0.000 1.119 399 T CA -0.023 61.717 62.100 -0.601 0.000 1.007 399 T CB 1.296 70.030 68.868 -0.223 0.000 1.225 399 T HN 1.044 nan 8.240 nan 0.000 0.515 400 S N 0.649 116.068 115.700 -0.468 0.000 2.661 400 S HA 0.501 4.971 4.470 0.001 0.000 0.268 400 S C 0.025 174.517 174.600 -0.181 0.000 1.162 400 S CA -0.687 57.266 58.200 -0.411 0.000 0.817 400 S CB 0.185 63.268 63.200 -0.195 0.000 1.141 400 S HN 0.431 nan 8.310 nan 0.000 0.477 401 F N 0.497 120.412 119.950 -0.059 0.000 2.216 401 F HA 0.208 4.736 4.527 0.001 0.000 0.300 401 F C 1.791 177.642 175.800 0.085 0.000 1.085 401 F CA 1.290 59.269 58.000 -0.036 0.000 1.326 401 F CB -0.402 38.530 39.000 -0.113 0.000 1.027 401 F HN 0.401 nan 8.300 nan 0.000 0.497 402 L N -2.478 118.921 121.223 0.294 0.000 2.731 402 L HA 0.214 4.555 4.340 0.001 0.000 0.240 402 L C 0.481 177.482 176.870 0.220 0.000 1.120 402 L CA 0.085 55.084 54.840 0.265 0.000 0.913 402 L CB 0.217 42.391 42.059 0.190 0.000 1.213 402 L HN -0.194 nan 8.230 nan 0.000 0.515 403 S N -0.284 115.482 115.700 0.110 0.000 2.552 403 S HA 0.374 4.845 4.470 0.001 0.000 0.314 403 S C -1.827 172.435 174.600 -0.564 0.000 1.099 403 S CA -1.312 56.792 58.200 -0.159 0.000 1.070 403 S CB 1.613 64.825 63.200 0.020 0.000 0.998 403 S HN -0.174 nan 8.310 nan 0.000 0.474 404 P HA 0.070 nan 4.420 nan 0.000 0.216 404 P C 0.706 177.801 177.300 -0.341 0.000 1.150 404 P CA 1.379 63.810 63.100 -1.114 0.000 0.843 404 P CB -0.054 31.084 31.700 -0.936 0.000 0.787 405 G N -1.498 107.186 108.800 -0.193 0.000 2.343 405 G HA2 0.201 4.161 3.960 0.001 0.000 0.465 405 G HA3 0.201 4.161 3.960 0.001 0.000 0.465 405 G C -1.798 173.124 174.900 0.037 0.000 1.282 405 G CA -0.605 44.497 45.100 0.004 0.000 0.996 405 G HN 0.076 nan 8.290 nan 0.000 0.521 406 I N -1.064 119.569 120.570 0.104 0.000 2.656 406 I HA 0.585 4.756 4.170 0.001 0.000 0.292 406 I C -0.416 175.632 176.117 -0.115 0.000 1.144 406 I CA -0.977 60.261 61.300 -0.104 0.000 1.038 406 I CB 1.971 39.775 38.000 -0.327 0.000 1.244 406 I HN 0.572 nan 8.210 nan 0.000 0.420 407 I N 4.837 125.298 120.570 -0.182 0.000 2.339 407 I HA 0.375 4.546 4.170 0.001 0.000 0.290 407 I C -0.940 175.030 176.117 -0.244 0.000 0.994 407 I CA -0.572 60.688 61.300 -0.066 0.000 1.191 407 I CB 1.205 39.277 38.000 0.120 0.000 1.343 407 I HN 0.413 nan 8.210 nan 0.000 0.458 408 Y N 4.494 124.649 120.300 -0.242 0.000 2.387 408 Y HA 0.399 4.950 4.550 0.001 0.000 0.330 408 Y C 0.247 175.929 175.900 -0.364 0.000 1.133 408 Y CA -0.479 57.379 58.100 -0.404 0.000 1.152 408 Y CB 1.128 39.045 38.460 -0.905 0.000 1.215 408 Y HN 0.480 nan 8.280 nan 0.000 0.466 409 H N 1.982 120.918 119.070 -0.223 0.000 2.524 409 H HA 0.567 5.124 4.556 0.001 0.000 0.353 409 H C -1.537 173.611 175.328 -0.299 0.000 1.136 409 H CA -0.738 54.986 56.048 -0.539 0.000 1.193 409 H CB 1.945 31.311 29.762 -0.661 0.000 1.558 409 H HN 0.808 nan 8.280 nan 0.000 0.515 410 C N 5.495 124.297 119.300 -0.831 0.000 2.432 410 C HA 0.156 4.616 4.460 0.001 0.000 0.334 410 C C -0.641 173.977 174.990 -0.619 0.000 1.155 410 C CA -0.742 57.951 59.018 -0.543 0.000 1.335 410 C CB 0.435 28.093 27.740 -0.137 0.000 1.964 410 C HN 0.883 nan 8.230 nan 0.000 0.444 411 D N 4.145 124.240 120.400 -0.507 0.000 2.338 411 D HA 0.212 4.853 4.640 0.001 0.000 0.255 411 D C 0.810 177.073 176.300 -0.062 0.000 1.237 411 D CA 0.046 53.899 54.000 -0.245 0.000 0.883 411 D CB 0.769 41.491 40.800 -0.129 0.000 1.087 411 D HN 0.686 nan 8.370 nan 0.000 0.485 412 L N 2.941 124.177 121.223 0.021 0.000 2.592 412 L HA 0.025 4.365 4.340 0.001 0.000 0.227 412 L C 2.104 179.075 176.870 0.169 0.000 1.127 412 L CA 0.342 55.272 54.840 0.150 0.000 0.884 412 L CB -0.241 41.980 42.059 0.270 0.000 1.065 412 L HN 0.440 nan 8.230 nan 0.000 0.457 413 T N -4.038 110.571 114.554 0.092 0.000 3.067 413 T HA 0.037 4.387 4.350 0.001 0.000 0.261 413 T C 0.949 175.686 174.700 0.062 0.000 1.110 413 T CA 0.036 62.180 62.100 0.072 0.000 1.113 413 T CB -0.019 68.879 68.868 0.050 0.000 0.917 413 T HN -0.090 nan 8.240 nan 0.000 0.499 414 K N 2.244 122.677 120.400 0.055 0.000 2.270 414 K HA 0.293 4.613 4.320 0.001 0.000 0.276 414 K C 1.227 177.858 176.600 0.051 0.000 1.023 414 K CA -0.529 55.782 56.287 0.039 0.000 0.955 414 K CB 0.902 33.413 32.500 0.019 0.000 0.975 414 K HN 0.145 nan 8.250 nan 0.000 0.471 415 E N 1.607 121.830 120.200 0.038 0.000 2.058 415 E HA -0.154 4.196 4.350 0.001 0.000 0.194 415 E C -0.278 176.338 176.600 0.026 0.000 0.997 415 E CA 1.423 57.845 56.400 0.037 0.000 0.801 415 E CB 0.307 30.020 29.700 0.022 0.000 0.746 415 E HN 0.443 nan 8.360 nan 0.000 0.450 416 E N 0.869 121.075 120.200 0.010 0.000 2.129 416 E HA 0.282 4.633 4.350 0.001 0.000 0.268 416 E C -0.330 176.266 176.600 -0.008 0.000 0.900 416 E CA -0.440 55.956 56.400 -0.008 0.000 0.755 416 E CB 1.224 30.916 29.700 -0.014 0.000 1.117 416 E HN 0.052 nan 8.360 nan 0.000 0.410 417 L N 3.105 124.315 121.223 -0.022 0.000 2.454 417 L HA 0.116 4.456 4.340 0.001 0.000 0.284 417 L C 0.632 177.510 176.870 0.012 0.000 1.139 417 L CA 0.088 54.926 54.840 -0.004 0.000 0.911 417 L CB -0.093 41.953 42.059 -0.022 0.000 1.262 417 L HN 0.122 nan 8.230 nan 0.000 0.453 418 E N 5.443 125.649 120.200 0.010 0.000 2.014 418 E HA 0.277 4.627 4.350 0.001 0.000 0.275 418 E C -2.283 174.331 176.600 0.025 0.000 0.997 418 E CA -1.728 54.682 56.400 0.017 0.000 0.804 418 E CB 1.044 30.747 29.700 0.005 0.000 1.090 418 E HN 0.273 nan 8.360 nan 0.000 0.401 419 P HA 0.211 nan 4.420 nan 0.000 0.287 419 P C -0.425 176.942 177.300 0.111 0.000 1.281 419 P CA -0.349 62.805 63.100 0.090 0.000 0.781 419 P CB 0.917 32.744 31.700 0.211 0.000 0.903 420 R N 1.369 121.935 120.500 0.110 0.000 2.854 420 R HA 0.602 4.943 4.340 0.001 0.000 0.271 420 R C -0.782 175.613 176.300 0.159 0.000 0.996 420 R CA -1.294 54.888 56.100 0.136 0.000 0.961 420 R CB 0.432 30.780 30.300 0.081 0.000 1.182 420 R HN 0.071 nan 8.270 nan 0.000 0.479 421 V N 2.755 122.708 119.914 0.064 0.000 2.450 421 V HA -0.050 4.070 4.120 0.001 0.000 0.281 421 V C 0.586 176.649 176.094 -0.052 0.000 1.019 421 V CA 0.506 62.728 62.300 -0.130 0.000 1.062 421 V CB -0.209 31.510 31.823 -0.173 0.000 0.979 421 V HN 0.705 nan 8.190 nan 0.000 0.477 422 F N 5.054 124.874 119.950 -0.217 0.000 2.437 422 F HA 0.386 4.914 4.527 0.001 0.000 0.288 422 F C 1.164 176.800 175.800 -0.275 0.000 1.085 422 F CA 0.248 58.135 58.000 -0.188 0.000 1.430 422 F CB 0.408 39.363 39.000 -0.076 0.000 1.120 422 F HN 0.391 nan 8.300 nan 0.000 0.556 423 R N 0.574 120.930 120.500 -0.240 0.000 2.584 423 R HA 0.401 4.741 4.340 0.001 0.000 0.276 423 R C -1.799 174.358 176.300 -0.240 0.000 1.046 423 R CA -0.510 55.376 56.100 -0.357 0.000 0.906 423 R CB 1.690 31.733 30.300 -0.428 0.000 1.215 423 R HN 0.153 nan 8.270 nan 0.000 0.449 424 E N 2.417 122.494 120.200 -0.205 0.000 2.343 424 E HA 0.555 4.905 4.350 0.001 0.000 0.278 424 E C -1.632 174.929 176.600 -0.064 0.000 0.910 424 E CA -0.940 55.383 56.400 -0.128 0.000 0.757 424 E CB 2.005 31.621 29.700 -0.140 0.000 1.218 424 E HN 0.359 nan 8.360 nan 0.000 0.435 425 V N 0.257 120.149 119.914 -0.036 0.000 2.789 425 V HA 0.740 4.861 4.120 0.001 0.000 0.311 425 V C -0.517 175.508 176.094 -0.115 0.000 1.073 425 V CA -0.625 61.667 62.300 -0.013 0.000 0.921 425 V CB 1.826 33.718 31.823 0.114 0.000 1.009 425 V HN 0.629 nan 8.190 nan 0.000 0.426 426 T N 3.047 117.541 114.554 -0.100 0.000 2.812 426 T HA 0.517 4.868 4.350 0.001 0.000 0.282 426 T C -0.401 174.220 174.700 -0.131 0.000 0.990 426 T CA -0.310 61.708 62.100 -0.136 0.000 0.960 426 T CB 1.605 70.428 68.868 -0.074 0.000 0.948 426 T HN 0.689 nan 8.240 nan 0.000 0.438 427 V N 5.821 125.613 119.914 -0.204 0.000 2.415 427 V HA 0.214 4.334 4.120 0.001 0.000 0.267 427 V C 0.902 176.987 176.094 -0.014 0.000 1.042 427 V CA -0.413 61.816 62.300 -0.118 0.000 1.000 427 V CB 0.310 32.053 31.823 -0.133 0.000 1.015 427 V HN 0.646 nan 8.190 nan 0.000 0.478 428 K N 3.176 123.587 120.400 0.019 0.000 2.382 428 K HA 0.330 4.650 4.320 0.001 0.000 0.275 428 K C 1.304 177.937 176.600 0.055 0.000 1.009 428 K CA 0.983 57.291 56.287 0.034 0.000 0.970 428 K CB 0.994 33.516 32.500 0.038 0.000 0.934 428 K HN 1.033 nan 8.250 nan 0.000 0.479 429 G N 2.622 111.455 108.800 0.055 0.000 2.241 429 G HA2 -0.270 3.690 3.960 0.001 0.000 0.244 429 G HA3 -0.270 3.690 3.960 0.001 0.000 0.244 429 G C 0.095 175.041 174.900 0.077 0.000 0.998 429 G CA -0.036 45.108 45.100 0.072 0.000 0.621 429 G HN 0.527 nan 8.290 nan 0.000 0.519 430 I N 2.194 122.810 120.570 0.077 0.000 2.412 430 I HA 0.392 4.563 4.170 0.001 0.000 0.279 430 I C -0.527 175.667 176.117 0.128 0.000 1.063 430 I CA -0.885 60.477 61.300 0.103 0.000 1.193 430 I CB 1.027 39.078 38.000 0.085 0.000 1.370 430 I HN 0.058 nan 8.210 nan 0.000 0.479 431 D N 5.797 126.281 120.400 0.140 0.000 2.359 431 D HA 0.185 4.825 4.640 0.001 0.000 0.250 431 D C 1.191 177.597 176.300 0.176 0.000 1.264 431 D CA 0.265 54.323 54.000 0.096 0.000 0.911 431 D CB 1.385 42.191 40.800 0.011 0.000 1.056 431 D HN 0.624 nan 8.370 nan 0.000 0.499 432 A N 2.934 125.855 122.820 0.168 0.000 2.019 432 A HA -0.181 4.139 4.320 0.001 0.000 0.219 432 A C 2.131 179.810 177.584 0.160 0.000 1.164 432 A CA 1.709 53.880 52.037 0.222 0.000 0.644 432 A CB -0.351 18.732 19.000 0.139 0.000 0.805 432 A HN 0.572 nan 8.150 nan 0.000 0.449 433 S N -0.320 115.413 115.700 0.056 0.000 2.481 433 S HA -0.111 4.360 4.470 0.001 0.000 0.231 433 S C 0.999 175.545 174.600 -0.089 0.000 0.996 433 S CA 1.171 59.370 58.200 -0.001 0.000 0.942 433 S CB -0.335 62.858 63.200 -0.011 0.000 0.768 433 S HN 0.488 nan 8.310 nan 0.000 0.520 434 D N 0.260 120.523 120.400 -0.228 0.000 2.347 434 D HA 0.157 4.797 4.640 0.001 0.000 0.215 434 D C -0.393 175.493 176.300 -0.689 0.000 0.976 434 D CA 0.648 54.325 54.000 -0.537 0.000 0.884 434 D CB 0.042 40.337 40.800 -0.841 0.000 0.915 434 D HN 0.534 nan 8.370 nan 0.000 0.526 435 Y N -0.006 120.273 120.300 -0.035 0.000 2.562 435 Y HA 0.387 4.937 4.550 0.001 0.000 0.343 435 Y C 0.356 176.209 175.900 -0.077 0.000 1.025 435 Y CA -1.244 56.816 58.100 -0.066 0.000 1.082 435 Y CB 1.311 39.733 38.460 -0.063 0.000 1.264 435 Y HN -0.284 nan 8.280 nan 0.000 0.478 436 Q N -0.558 119.236 119.800 -0.010 0.000 2.423 436 Q HA 0.750 5.090 4.340 0.001 0.000 0.278 436 Q C -1.650 174.279 176.000 -0.119 0.000 1.097 436 Q CA -1.100 54.667 55.803 -0.061 0.000 0.809 436 Q CB 2.344 31.038 28.738 -0.075 0.000 1.391 436 Q HN 0.588 nan 8.270 nan 0.000 0.428 437 T N 1.844 116.399 114.554 0.002 0.000 2.772 437 T HA 0.502 4.852 4.350 0.001 0.000 0.288 437 T C -0.353 174.427 174.700 0.133 0.000 0.994 437 T CA -0.592 61.537 62.100 0.048 0.000 0.951 437 T CB 1.060 70.014 68.868 0.144 0.000 0.933 437 T HN 0.548 nan 8.240 nan 0.000 0.447 438 V N 2.036 122.039 119.914 0.149 0.000 2.667 438 V HA 0.703 4.824 4.120 0.001 0.000 0.308 438 V C -0.576 175.646 176.094 0.213 0.000 1.048 438 V CA -1.064 61.352 62.300 0.194 0.000 0.928 438 V CB 1.905 33.850 31.823 0.203 0.000 1.004 438 V HN 0.846 nan 8.190 nan 0.000 0.444 439 Q N 2.726 122.598 119.800 0.120 0.000 2.322 439 Q HA 0.714 5.055 4.340 0.001 0.000 0.265 439 Q C -1.023 174.828 176.000 -0.249 0.000 0.985 439 Q CA -0.774 54.922 55.803 -0.177 0.000 0.849 439 Q CB 1.820 30.375 28.738 -0.305 0.000 1.274 439 Q HN 0.955 nan 8.270 nan 0.000 0.449 440 I N -0.507 119.828 120.570 -0.392 0.000 3.067 440 I HA 0.667 4.838 4.170 0.001 0.000 0.312 440 I C -1.356 174.355 176.117 -0.676 0.000 1.073 440 I CA -0.827 60.286 61.300 -0.312 0.000 1.016 440 I CB 1.487 39.438 38.000 -0.081 0.000 1.227 440 I HN 0.420 nan 8.210 nan 0.000 0.456 441 F N 2.911 122.809 119.950 -0.087 0.000 2.500 441 F HA 0.503 5.031 4.527 0.001 0.000 0.349 441 F C -0.796 174.937 175.800 -0.112 0.000 1.127 441 F CA -0.541 57.377 58.000 -0.137 0.000 0.998 441 F CB 1.290 40.224 39.000 -0.109 0.000 1.237 441 F HN 0.493 nan 8.300 nan 0.000 0.439 442 Y N 2.391 122.637 120.300 -0.090 0.000 2.334 442 Y HA 0.792 5.343 4.550 0.001 0.000 0.328 442 Y C -2.964 172.965 175.900 0.050 0.000 1.130 442 Y CA -3.947 54.102 58.100 -0.085 0.000 1.163 442 Y CB 0.594 38.869 38.460 -0.309 0.000 1.207 442 Y HN 0.247 nan 8.280 nan 0.000 0.471 443 P HA 0.098 nan 4.420 nan 0.000 0.281 443 P C -0.298 177.122 177.300 0.200 0.000 1.252 443 P CA -0.152 63.023 63.100 0.126 0.000 0.778 443 P CB 1.808 33.584 31.700 0.127 0.000 0.895 444 S N 2.219 117.981 115.700 0.103 0.000 2.661 444 S HA 0.135 4.605 4.470 0.001 0.000 0.265 444 S C 1.565 176.218 174.600 0.087 0.000 1.225 444 S CA -0.510 57.771 58.200 0.134 0.000 0.986 444 S CB 0.316 63.548 63.200 0.054 0.000 1.008 444 S HN 0.420 nan 8.310 nan 0.000 0.565 445 K N 0.350 120.794 120.400 0.073 0.000 2.077 445 K HA -0.207 4.113 4.320 0.001 0.000 0.213 445 K C 0.963 177.577 176.600 0.023 0.000 1.051 445 K CA 2.272 58.586 56.287 0.045 0.000 0.929 445 K CB -0.371 32.149 32.500 0.034 0.000 0.715 445 K HN 0.768 nan 8.250 nan 0.000 0.451 446 D N -2.062 118.339 120.400 0.002 0.000 2.328 446 D HA 0.054 4.694 4.640 0.001 0.000 0.221 446 D C 0.968 177.263 176.300 -0.008 0.000 1.072 446 D CA 0.785 54.778 54.000 -0.013 0.000 0.850 446 D CB 0.451 41.228 40.800 -0.038 0.000 0.922 446 D HN 0.421 nan 8.370 nan 0.000 0.516 447 G N -0.494 108.310 108.800 0.007 0.000 2.194 447 G HA2 -0.262 3.698 3.960 0.001 0.000 0.236 447 G HA3 -0.262 3.698 3.960 0.001 0.000 0.236 447 G C 0.456 175.356 174.900 -0.000 0.000 0.987 447 G CA 0.184 45.291 45.100 0.010 0.000 0.635 447 G HN 0.449 nan 8.290 nan 0.000 0.520 448 T N 3.172 117.718 114.554 -0.014 0.000 2.902 448 T HA 0.412 4.762 4.350 0.001 0.000 0.301 448 T C 0.376 175.068 174.700 -0.014 0.000 1.012 448 T CA 0.212 62.303 62.100 -0.015 0.000 1.151 448 T CB 1.049 69.892 68.868 -0.042 0.000 0.946 448 T HN 0.158 nan 8.240 nan 0.000 0.542 449 K N 3.827 124.224 120.400 -0.006 0.000 2.276 449 K HA 0.331 4.652 4.320 0.001 0.000 0.285 449 K C -0.149 176.470 176.600 0.031 0.000 1.062 449 K CA -0.411 55.862 56.287 -0.023 0.000 0.918 449 K CB 0.740 33.214 32.500 -0.044 0.000 1.055 449 K HN 0.448 nan 8.250 nan 0.000 0.477 450 I N 5.198 125.642 120.570 -0.210 0.000 2.377 450 I HA 0.298 4.468 4.170 0.001 0.000 0.293 450 I C -2.326 173.635 176.117 -0.260 0.000 0.987 450 I CA -3.100 58.069 61.300 -0.219 0.000 1.185 450 I CB 1.302 38.901 38.000 -0.668 0.000 1.341 450 I HN 0.140 nan 8.210 nan 0.000 0.455 451 P HA 0.378 nan 4.420 nan 0.000 0.276 451 P C -0.706 176.432 177.300 -0.271 0.000 1.230 451 P CA -0.404 62.475 63.100 -0.369 0.000 0.776 451 P CB 0.908 32.470 31.700 -0.230 0.000 0.888 452 M N 3.425 122.784 119.600 -0.400 0.000 2.324 452 M HA 0.489 4.969 4.480 0.001 0.000 0.288 452 M C -1.756 174.361 176.300 -0.305 0.000 1.097 452 M CA -0.703 54.488 55.300 -0.183 0.000 0.928 452 M CB 1.256 33.863 32.600 0.012 0.000 1.648 452 M HN -0.006 nan 8.290 nan 0.000 0.460 453 F N 5.132 125.070 119.950 -0.019 0.000 2.404 453 F HA 0.577 5.105 4.527 0.001 0.000 0.345 453 F C -0.284 175.431 175.800 -0.142 0.000 1.110 453 F CA -0.294 57.675 58.000 -0.052 0.000 1.130 453 F CB 1.060 40.089 39.000 0.049 0.000 1.129 453 F HN 0.377 nan 8.300 nan 0.000 0.500 454 I N 4.034 124.645 120.570 0.068 0.000 2.436 454 I HA 0.429 4.600 4.170 0.001 0.000 0.289 454 I C -1.157 174.928 176.117 -0.053 0.000 1.010 454 I CA -0.872 60.411 61.300 -0.029 0.000 1.098 454 I CB 1.870 39.818 38.000 -0.087 0.000 1.266 454 I HN 0.105 nan 8.210 nan 0.000 0.434 455 V N 5.980 125.821 119.914 -0.121 0.000 2.409 455 V HA 0.509 4.630 4.120 0.001 0.000 0.291 455 V C -0.710 175.381 176.094 -0.005 0.000 1.020 455 V CA -0.487 61.713 62.300 -0.168 0.000 0.848 455 V CB 1.274 32.911 31.823 -0.311 0.000 0.990 455 V HN 0.927 nan 8.190 nan 0.000 0.430 456 H N 1.974 121.080 119.070 0.060 0.000 2.990 456 H HA 0.599 5.155 4.556 0.001 0.000 0.343 456 H C -0.637 174.806 175.328 0.191 0.000 1.270 456 H CA -1.144 54.958 56.048 0.090 0.000 1.118 456 H CB 1.175 30.985 29.762 0.081 0.000 1.861 456 H HN 0.378 nan 8.280 nan 0.000 0.544 457 K N 1.457 122.060 120.400 0.338 0.000 2.448 457 K HA 0.057 4.377 4.320 0.001 0.000 0.278 457 K C -0.525 176.190 176.600 0.192 0.000 1.009 457 K CA -0.185 56.214 56.287 0.187 0.000 0.995 457 K CB 0.351 32.881 32.500 0.049 0.000 0.917 457 K HN 0.672 nan 8.250 nan 0.000 0.481 458 K N 0.881 121.295 120.400 0.023 0.000 2.451 458 K HA 0.017 4.337 4.320 0.001 0.000 0.280 458 K C 0.798 177.425 176.600 0.045 0.000 1.020 458 K CA 1.315 57.636 56.287 0.057 0.000 1.008 458 K CB 0.385 32.868 32.500 -0.028 0.000 0.917 458 K HN 0.884 nan 8.250 nan 0.000 0.478 459 G N 2.583 111.429 108.800 0.077 0.000 2.157 459 G HA2 -0.260 3.700 3.960 0.001 0.000 0.248 459 G HA3 -0.260 3.700 3.960 0.001 0.000 0.248 459 G C 0.238 175.141 174.900 0.005 0.000 0.979 459 G CA 0.189 45.306 45.100 0.028 0.000 0.650 459 G HN 0.686 nan 8.290 nan 0.000 0.529 460 I N -1.478 119.084 120.570 -0.013 0.000 2.754 460 I HA 0.490 4.660 4.170 0.001 0.000 0.285 460 I C 0.507 176.606 176.117 -0.029 0.000 1.166 460 I CA -0.358 60.906 61.300 -0.060 0.000 1.417 460 I CB 0.493 38.337 38.000 -0.259 0.000 1.382 460 I HN -0.098 nan 8.210 nan 0.000 0.588 461 K N 6.225 126.665 120.400 0.067 0.000 2.276 461 K HA 0.345 4.665 4.320 0.001 0.000 0.285 461 K C -0.529 176.113 176.600 0.070 0.000 1.062 461 K CA -0.442 55.867 56.287 0.037 0.000 0.918 461 K CB 1.293 33.805 32.500 0.020 0.000 1.055 461 K HN 0.623 nan 8.250 nan 0.000 0.477 462 L N 4.443 125.620 121.223 -0.077 0.000 2.437 462 L HA 0.004 4.344 4.340 0.001 0.000 0.243 462 L C 0.519 177.307 176.870 -0.137 0.000 1.346 462 L CA -0.057 54.681 54.840 -0.170 0.000 1.233 462 L CB -0.771 41.073 42.059 -0.358 0.000 1.436 462 L HN 0.611 nan 8.230 nan 0.000 0.416 463 D N -0.734 119.600 120.400 -0.111 0.000 2.395 463 D HA 0.095 4.735 4.640 0.001 0.000 0.213 463 D C 1.276 177.492 176.300 -0.141 0.000 1.110 463 D CA 0.170 54.096 54.000 -0.124 0.000 0.835 463 D CB 0.615 41.346 40.800 -0.115 0.000 0.965 463 D HN 0.330 nan 8.370 nan 0.000 0.505 464 G N 0.739 109.456 108.800 -0.139 0.000 2.160 464 G HA2 -0.333 3.627 3.960 0.001 0.000 0.251 464 G HA3 -0.333 3.627 3.960 0.001 0.000 0.251 464 G C 0.951 175.765 174.900 -0.142 0.000 1.008 464 G CA 0.772 45.813 45.100 -0.097 0.000 0.724 464 G HN 0.683 nan 8.290 nan 0.000 0.514 465 S N -0.767 114.731 115.700 -0.336 0.000 2.517 465 S HA 0.215 4.685 4.470 0.001 0.000 0.214 465 S C 0.797 175.221 174.600 -0.293 0.000 0.991 465 S CA 0.070 58.073 58.200 -0.328 0.000 0.906 465 S CB 0.118 63.096 63.200 -0.369 0.000 0.789 465 S HN 0.600 nan 8.310 nan 0.000 0.513 466 H N 3.492 122.580 119.070 0.030 0.000 2.525 466 H HA 0.415 4.971 4.556 0.001 0.000 0.339 466 H C -2.734 172.650 175.328 0.094 0.000 1.109 466 H CA -2.128 53.946 56.048 0.045 0.000 1.352 466 H CB 0.249 30.040 29.762 0.049 0.000 1.461 466 H HN 0.266 nan 8.280 nan 0.000 0.533 467 P HA 0.237 nan 4.420 nan 0.000 0.271 467 P C -0.815 176.737 177.300 0.421 0.000 1.216 467 P CA -0.305 62.967 63.100 0.286 0.000 0.776 467 P CB 0.959 32.824 31.700 0.275 0.000 0.881 468 A N 2.975 126.083 122.820 0.481 0.000 2.401 468 A HA 0.683 5.003 4.320 0.001 0.000 0.310 468 A C -1.680 176.193 177.584 0.482 0.000 1.075 468 A CA -0.590 51.746 52.037 0.499 0.000 0.746 468 A CB 1.104 20.288 19.000 0.305 0.000 1.277 468 A HN 0.467 nan 8.150 nan 0.000 0.425 469 F N 2.610 122.727 119.950 0.279 0.000 2.430 469 F HA 0.570 5.097 4.527 0.001 0.000 0.362 469 F C -0.970 174.899 175.800 0.114 0.000 1.103 469 F CA -0.856 57.173 58.000 0.047 0.000 1.045 469 F CB 1.367 40.216 39.000 -0.251 0.000 1.276 469 F HN 0.485 nan 8.300 nan 0.000 0.444 470 L N 7.954 129.108 121.223 -0.116 0.000 2.287 470 L HA 0.465 4.806 4.340 0.001 0.000 0.287 470 L C -1.863 175.053 176.870 0.076 0.000 1.022 470 L CA -0.569 54.269 54.840 -0.002 0.000 0.814 470 L CB 0.767 42.751 42.059 -0.124 0.000 1.217 470 L HN 0.584 nan 8.230 nan 0.000 0.420 471 Y N 4.318 124.716 120.300 0.163 0.000 2.387 471 Y HA 0.824 5.374 4.550 0.001 0.000 0.336 471 Y C 0.124 176.261 175.900 0.396 0.000 1.067 471 Y CA -0.019 58.223 58.100 0.236 0.000 1.114 471 Y CB 1.893 40.518 38.460 0.276 0.000 1.208 471 Y HN 0.756 nan 8.280 nan 0.000 0.458 472 G N 3.277 111.800 108.800 -0.461 0.000 2.677 472 G HA2 0.310 4.270 3.960 0.001 0.000 0.291 472 G HA3 0.310 4.270 3.960 0.001 0.000 0.291 472 G C -2.025 172.509 174.900 -0.611 0.000 1.435 472 G CA -0.431 44.449 45.100 -0.367 0.000 0.826 472 G HN 0.645 nan 8.290 nan 0.000 0.491 473 Y N 0.298 120.367 120.300 -0.386 0.000 3.274 473 Y HA 0.472 5.022 4.550 0.001 0.000 0.174 473 Y C 1.476 177.261 175.900 -0.191 0.000 0.880 473 Y CA 1.518 59.454 58.100 -0.272 0.000 1.793 473 Y CB 0.488 38.894 38.460 -0.090 0.000 1.409 473 Y HN 1.708 nan 8.280 nan 0.000 0.368 474 G N 1.132 109.914 108.800 -0.029 0.000 2.531 474 G HA2 0.347 4.308 3.960 0.001 0.000 0.283 474 G HA3 0.347 4.308 3.960 0.001 0.000 0.283 474 G C -0.024 174.718 174.900 -0.262 0.000 1.068 474 G CA 0.508 45.528 45.100 -0.134 0.000 1.273 474 G HN 1.365 nan 8.290 nan 0.000 0.532 475 G N -0.953 107.802 108.800 -0.075 0.000 2.338 475 G HA2 0.629 4.590 3.960 0.001 0.000 0.295 475 G HA3 0.629 4.590 3.960 0.001 0.000 0.295 475 G C -0.003 175.020 174.900 0.205 0.000 1.461 475 G CA 0.178 45.218 45.100 -0.100 0.000 0.817 475 G HN 1.482 nan 8.290 nan 0.000 0.556 476 F N -0.291 119.644 119.950 -0.025 0.000 3.084 476 F HA -0.251 4.276 4.527 0.001 0.000 0.286 476 F C 1.361 176.999 175.800 -0.270 0.000 0.855 476 F CA 1.314 59.243 58.000 -0.118 0.000 1.091 476 F CB -1.380 37.596 39.000 -0.040 0.000 1.177 476 F HN 1.072 nan 8.300 nan 0.000 0.542 477 N N -0.430 118.080 118.700 -0.316 0.000 2.741 477 N HA -0.203 4.537 4.740 0.001 0.000 0.251 477 N C -0.502 175.011 175.510 0.006 0.000 1.112 477 N CA 1.045 53.951 53.050 -0.240 0.000 0.750 477 N CB -0.720 37.529 38.487 -0.397 0.000 1.119 477 N HN 0.388 nan 8.380 nan 0.000 0.561 478 I N 0.700 121.342 120.570 0.120 0.000 2.342 478 I HA 0.180 4.351 4.170 0.001 0.000 0.291 478 I C 0.468 176.657 176.117 0.121 0.000 1.010 478 I CA -0.179 61.180 61.300 0.098 0.000 1.308 478 I CB 1.255 39.292 38.000 0.062 0.000 1.400 478 I HN 0.032 nan 8.210 nan 0.000 0.488 479 S N 6.848 122.585 115.700 0.061 0.000 2.438 479 S HA 0.445 4.916 4.470 0.001 0.000 0.293 479 S C 0.212 174.859 174.600 0.079 0.000 1.141 479 S CA -0.542 57.699 58.200 0.069 0.000 1.080 479 S CB 0.854 64.060 63.200 0.010 0.000 0.978 479 S HN 0.255 nan 8.310 nan 0.000 0.479 480 I N 4.988 125.646 120.570 0.146 0.000 2.260 480 I HA 0.140 4.311 4.170 0.001 0.000 0.297 480 I C 1.175 177.413 176.117 0.200 0.000 1.143 480 I CA -0.141 61.273 61.300 0.190 0.000 1.271 480 I CB -1.163 37.027 38.000 0.317 0.000 1.461 480 I HN 0.545 nan 8.210 nan 0.000 0.530 481 T N 4.025 118.638 114.554 0.098 0.000 2.927 481 T HA 0.571 4.922 4.350 0.001 0.000 0.281 481 T C -2.581 172.027 174.700 -0.153 0.000 0.998 481 T CA -2.133 59.993 62.100 0.044 0.000 1.019 481 T CB 1.360 70.228 68.868 -0.001 0.000 1.061 481 T HN 0.153 nan 8.240 nan 0.000 0.518 482 P HA 0.281 nan 4.420 nan 0.000 0.264 482 P C -0.729 176.085 177.300 -0.810 0.000 1.183 482 P CA 0.147 62.525 63.100 -1.203 0.000 0.763 482 P CB 0.201 31.139 31.700 -1.270 0.000 0.807 483 N N 1.598 119.802 118.700 -0.827 0.000 2.331 483 N HA 0.246 4.987 4.740 0.001 0.000 0.280 483 N C -1.977 173.443 175.510 -0.149 0.000 1.155 483 N CA -0.725 52.124 53.050 -0.335 0.000 0.822 483 N CB 0.808 39.195 38.487 -0.167 0.000 1.619 483 N HN 0.172 nan 8.380 nan 0.000 0.476 484 Y N 1.842 122.061 120.300 -0.135 0.000 2.486 484 Y HA 0.421 4.972 4.550 0.001 0.000 0.348 484 Y C -0.270 175.657 175.900 0.046 0.000 1.000 484 Y CA 0.135 58.217 58.100 -0.031 0.000 1.253 484 Y CB 0.469 38.917 38.460 -0.021 0.000 1.140 484 Y HN 0.384 nan 8.280 nan 0.000 0.526 485 S N 5.680 121.121 115.700 -0.432 0.000 2.718 485 S HA 0.315 4.785 4.470 0.001 0.000 0.294 485 S C 0.435 174.747 174.600 -0.480 0.000 1.157 485 S CA -0.721 57.288 58.200 -0.319 0.000 1.121 485 S CB 0.486 63.594 63.200 -0.152 0.000 1.015 485 S HN 0.628 nan 8.310 nan 0.000 0.479 486 V N 4.892 124.562 119.914 -0.406 0.000 2.332 486 V HA -0.171 3.950 4.120 0.001 0.000 0.248 486 V C 2.714 178.686 176.094 -0.203 0.000 1.055 486 V CA 2.541 64.689 62.300 -0.253 0.000 1.038 486 V CB -1.035 30.856 31.823 0.114 0.000 0.651 486 V HN 0.982 nan 8.190 nan 0.000 0.450 487 S N 0.717 116.320 115.700 -0.162 0.000 2.365 487 S HA -0.289 4.181 4.470 0.001 0.000 0.225 487 S C 2.031 176.473 174.600 -0.264 0.000 1.039 487 S CA 1.665 59.795 58.200 -0.115 0.000 1.033 487 S CB -0.551 62.659 63.200 0.018 0.000 0.887 487 S HN 0.603 nan 8.310 nan 0.000 0.447 488 R N 0.625 120.972 120.500 -0.254 0.000 2.148 488 R HA 0.260 4.601 4.340 0.001 0.000 0.223 488 R C 2.308 178.479 176.300 -0.215 0.000 1.088 488 R CA 0.878 56.806 56.100 -0.286 0.000 0.985 488 R CB -0.442 29.730 30.300 -0.215 0.000 0.880 488 R HN 0.422 nan 8.270 nan 0.000 0.451 489 L N 0.274 121.340 121.223 -0.262 0.000 2.109 489 L HA -0.096 4.244 4.340 0.001 0.000 0.207 489 L C 2.170 178.878 176.870 -0.270 0.000 1.086 489 L CA 0.976 55.635 54.840 -0.302 0.000 0.760 489 L CB -0.230 41.622 42.059 -0.345 0.000 0.910 489 L HN 0.146 nan 8.230 nan 0.000 0.437 490 I N -0.731 119.705 120.570 -0.222 0.000 2.286 490 I HA -0.346 3.825 4.170 0.001 0.000 0.248 490 I C 2.430 178.466 176.117 -0.135 0.000 1.115 490 I CA 1.387 62.591 61.300 -0.160 0.000 1.392 490 I CB -0.319 37.526 38.000 -0.258 0.000 1.065 490 I HN 0.148 nan 8.210 nan 0.000 0.418 491 F N 1.162 120.910 119.950 -0.337 0.000 2.161 491 F HA -0.210 4.318 4.527 0.001 0.000 0.300 491 F C 2.245 177.958 175.800 -0.145 0.000 1.089 491 F CA 1.589 59.428 58.000 -0.268 0.000 1.282 491 F CB -0.341 38.406 39.000 -0.421 0.000 1.010 491 F HN -0.203 nan 8.300 nan 0.000 0.485 492 V N 0.521 120.294 119.914 -0.235 0.000 2.283 492 V HA -0.226 3.895 4.120 0.001 0.000 0.243 492 V C 2.475 178.408 176.094 -0.267 0.000 1.039 492 V CA 2.156 64.291 62.300 -0.274 0.000 1.016 492 V CB -0.737 30.939 31.823 -0.246 0.000 0.650 492 V HN 0.255 nan 8.190 nan 0.000 0.449 493 R N -0.442 119.871 120.500 -0.312 0.000 2.075 493 R HA -0.062 4.278 4.340 0.001 0.000 0.226 493 R C 2.029 177.976 176.300 -0.589 0.000 1.114 493 R CA 1.688 57.563 56.100 -0.374 0.000 0.972 493 R CB -0.412 29.610 30.300 -0.463 0.000 0.869 493 R HN 0.597 nan 8.270 nan 0.000 0.437 494 H N -1.482 117.328 119.070 -0.433 0.000 2.652 494 H HA 0.313 4.870 4.556 0.001 0.000 0.274 494 H C 0.607 175.499 175.328 -0.726 0.000 1.021 494 H CA 0.476 56.047 56.048 -0.794 0.000 1.187 494 H CB 0.670 29.646 29.762 -1.310 0.000 1.505 494 H HN 0.218 nan 8.280 nan 0.000 0.530 495 M N -1.175 118.214 119.600 -0.351 0.000 2.340 495 M HA 0.234 4.714 4.480 0.001 0.000 0.345 495 M C 0.935 177.047 176.300 -0.313 0.000 1.008 495 M CA 0.175 55.333 55.300 -0.238 0.000 0.987 495 M CB 1.817 34.362 32.600 -0.092 0.000 1.598 495 M HN 0.213 nan 8.290 nan 0.000 0.569 496 G N 1.278 109.890 108.800 -0.314 0.000 2.198 496 G HA2 -0.206 3.755 3.960 0.001 0.000 0.260 496 G HA3 -0.206 3.755 3.960 0.001 0.000 0.260 496 G C 0.247 174.989 174.900 -0.262 0.000 1.025 496 G CA 0.078 45.049 45.100 -0.215 0.000 0.769 496 G HN 0.614 nan 8.290 nan 0.000 0.507 497 G N -1.414 107.042 108.800 -0.573 0.000 2.448 497 G HA2 0.633 4.594 3.960 0.001 0.000 0.285 497 G HA3 0.633 4.594 3.960 0.001 0.000 0.285 497 G C -0.064 174.764 174.900 -0.120 0.000 1.176 497 G CA -0.090 44.611 45.100 -0.665 0.000 0.852 497 G HN 0.859 nan 8.290 nan 0.000 0.530 498 V N 1.802 121.819 119.914 0.173 0.000 2.439 498 V HA 0.393 4.513 4.120 0.001 0.000 0.282 498 V C 0.004 176.329 176.094 0.385 0.000 1.039 498 V CA -0.640 61.809 62.300 0.249 0.000 0.913 498 V CB 1.189 33.160 31.823 0.247 0.000 0.983 498 V HN 0.683 nan 8.190 nan 0.000 0.460 499 L N 5.023 126.403 121.223 0.261 0.000 2.317 499 L HA 0.958 5.298 4.340 0.001 0.000 0.281 499 L C -0.112 176.828 176.870 0.117 0.000 1.024 499 L CA -0.077 54.912 54.840 0.249 0.000 0.810 499 L CB 1.346 43.482 42.059 0.130 0.000 1.240 499 L HN 0.753 nan 8.230 nan 0.000 0.427 500 A N 4.419 127.342 122.820 0.171 0.000 2.455 500 A HA 0.807 5.127 4.320 0.001 0.000 0.300 500 A C -1.656 176.051 177.584 0.205 0.000 1.040 500 A CA -0.539 51.559 52.037 0.103 0.000 0.697 500 A CB 1.875 20.898 19.000 0.039 0.000 1.265 500 A HN 0.595 nan 8.150 nan 0.000 0.407 501 V N 1.650 121.700 119.914 0.227 0.000 2.443 501 V HA 0.670 4.790 4.120 0.001 0.000 0.293 501 V C 0.258 176.549 176.094 0.328 0.000 1.021 501 V CA -0.264 62.262 62.300 0.377 0.000 0.848 501 V CB 1.468 33.584 31.823 0.489 0.000 0.998 501 V HN 1.339 nan 8.190 nan 0.000 0.424 502 A N 3.599 126.630 122.820 0.352 0.000 2.260 502 A HA 0.591 4.911 4.320 0.001 0.000 0.314 502 A C 0.117 177.911 177.584 0.351 0.000 1.257 502 A CA -0.555 51.686 52.037 0.341 0.000 0.871 502 A CB 0.042 19.272 19.000 0.384 0.000 1.166 502 A HN 0.884 nan 8.150 nan 0.000 0.522 503 N N 2.452 121.323 118.700 0.286 0.000 3.245 503 N HA 0.259 4.999 4.740 0.001 0.000 0.296 503 N C 0.279 176.071 175.510 0.469 0.000 1.254 503 N CA -0.191 53.049 53.050 0.316 0.000 1.190 503 N CB -0.076 38.520 38.487 0.181 0.000 1.460 503 N HN 0.794 nan 8.380 nan 0.000 0.538 504 I N -2.405 118.387 120.570 0.370 0.000 2.938 504 I HA 0.174 4.344 4.170 0.001 0.000 0.285 504 I C 0.554 176.721 176.117 0.083 0.000 1.182 504 I CA -0.772 60.670 61.300 0.237 0.000 1.388 504 I CB 0.773 38.867 38.000 0.156 0.000 1.390 504 I HN 0.106 nan 8.210 nan 0.000 0.600 505 R N 2.298 122.563 120.500 -0.392 0.000 2.784 505 R HA 0.291 4.631 4.340 0.001 0.000 0.266 505 R C 1.109 177.140 176.300 -0.448 0.000 1.044 505 R CA 1.154 56.720 56.100 -0.889 0.000 1.151 505 R CB 0.277 29.988 30.300 -0.981 0.000 1.037 505 R HN 1.086 nan 8.270 nan 0.000 0.478 506 G N 0.402 108.985 108.800 -0.361 0.000 2.313 506 G HA2 -0.219 3.741 3.960 0.001 0.000 0.215 506 G HA3 -0.219 3.741 3.960 0.001 0.000 0.215 506 G C 0.499 175.465 174.900 0.110 0.000 1.023 506 G CA -0.294 44.720 45.100 -0.143 0.000 0.626 506 G HN 0.894 nan 8.290 nan 0.000 0.503 507 G N -0.334 108.588 108.800 0.205 0.000 2.553 507 G HA2 0.556 4.516 3.960 0.001 0.000 0.278 507 G HA3 0.556 4.516 3.960 0.001 0.000 0.278 507 G C 1.025 176.172 174.900 0.412 0.000 1.349 507 G CA 0.264 45.563 45.100 0.332 0.000 1.037 507 G HN 1.337 nan 8.290 nan 0.000 0.508 508 G N -1.511 107.446 108.800 0.262 0.000 3.502 508 G HA2 0.283 4.243 3.960 0.001 0.000 0.267 508 G HA3 0.283 4.243 3.960 0.001 0.000 0.267 508 G C 0.934 175.867 174.900 0.056 0.000 1.090 508 G CA 0.127 45.340 45.100 0.189 0.000 0.795 508 G HN 0.529 nan 8.290 nan 0.000 0.535 509 E N 0.156 120.315 120.200 -0.069 0.000 2.085 509 E HA -0.124 4.226 4.350 0.001 0.000 0.194 509 E C 0.190 176.295 176.600 -0.825 0.000 0.994 509 E CA 1.181 57.278 56.400 -0.505 0.000 0.801 509 E CB -0.143 29.152 29.700 -0.675 0.000 0.743 509 E HN 0.587 nan 8.360 nan 0.000 0.453 510 Y N -0.339 119.683 120.300 -0.463 0.000 2.685 510 Y HA 0.441 4.992 4.550 0.001 0.000 0.339 510 Y C 0.741 176.692 175.900 0.085 0.000 0.961 510 Y CA -0.098 57.861 58.100 -0.236 0.000 1.330 510 Y CB 0.760 38.953 38.460 -0.444 0.000 1.269 510 Y HN 0.130 nan 8.280 nan 0.000 0.566 511 G N 0.559 109.494 108.800 0.224 0.000 2.642 511 G HA2 -0.349 3.611 3.960 0.001 0.000 0.231 511 G HA3 -0.349 3.611 3.960 0.001 0.000 0.231 511 G C 0.641 175.740 174.900 0.332 0.000 1.338 511 G CA 0.210 45.490 45.100 0.300 0.000 0.883 511 G HN 0.312 nan 8.290 nan 0.000 0.570 512 E N -0.371 119.985 120.200 0.260 0.000 2.204 512 E HA -0.045 4.305 4.350 0.001 0.000 0.194 512 E C 2.784 179.499 176.600 0.191 0.000 0.989 512 E CA 2.570 59.106 56.400 0.227 0.000 0.824 512 E CB -0.544 29.213 29.700 0.095 0.000 0.756 512 E HN 0.962 nan 8.360 nan 0.000 0.477 513 T N -2.447 112.216 114.554 0.181 0.000 2.915 513 T HA -0.143 4.208 4.350 0.001 0.000 0.269 513 T C 1.822 176.636 174.700 0.190 0.000 1.071 513 T CA 0.830 63.013 62.100 0.139 0.000 1.132 513 T CB -0.726 68.219 68.868 0.128 0.000 0.878 513 T HN 0.385 nan 8.240 nan 0.000 0.479 514 W N 1.613 122.966 121.300 0.089 0.000 2.409 514 W HA -0.115 4.546 4.660 0.001 0.000 0.299 514 W C 2.313 178.879 176.519 0.077 0.000 1.203 514 W CA 1.322 58.725 57.345 0.096 0.000 1.298 514 W CB -0.483 29.082 29.460 0.176 0.000 1.127 514 W HN 0.502 nan 8.180 nan 0.000 0.528 515 H N 0.695 119.853 119.070 0.147 0.000 2.319 515 H HA -0.186 4.370 4.556 0.001 0.000 0.299 515 H C 2.083 177.327 175.328 -0.140 0.000 1.092 515 H CA 1.945 57.987 56.048 -0.010 0.000 1.302 515 H CB -0.081 29.702 29.762 0.036 0.000 1.373 515 H HN 0.048 nan 8.280 nan 0.000 0.497 516 K N -0.214 120.042 120.400 -0.240 0.000 2.209 516 K HA -0.065 4.255 4.320 0.001 0.000 0.204 516 K C 2.240 178.645 176.600 -0.326 0.000 1.048 516 K CA 0.723 56.803 56.287 -0.346 0.000 0.940 516 K CB -0.068 32.309 32.500 -0.205 0.000 0.729 516 K HN 0.388 nan 8.250 nan 0.000 0.451 517 G N 0.133 108.754 108.800 -0.298 0.000 2.509 517 G HA2 -0.125 3.836 3.960 0.001 0.000 0.218 517 G HA3 -0.125 3.836 3.960 0.001 0.000 0.218 517 G C 0.806 175.448 174.900 -0.431 0.000 1.124 517 G CA 0.750 45.633 45.100 -0.363 0.000 0.776 517 G HN 0.379 nan 8.290 nan 0.000 0.547 518 G N 0.101 108.634 108.800 -0.445 0.000 4.716 518 G HA2 0.524 4.484 3.960 0.001 0.000 0.282 518 G HA3 0.524 4.484 3.960 0.001 0.000 0.282 518 G C -0.183 174.430 174.900 -0.477 0.000 1.173 518 G CA -0.300 44.516 45.100 -0.473 0.000 0.913 518 G HN 0.522 nan 8.290 nan 0.000 0.566 519 I N -3.505 116.775 120.570 -0.484 0.000 3.074 519 I HA 0.749 4.920 4.170 0.001 0.000 0.310 519 I C 0.767 176.585 176.117 -0.498 0.000 1.153 519 I CA -1.316 59.694 61.300 -0.484 0.000 0.993 519 I CB 1.515 39.178 38.000 -0.561 0.000 1.237 519 I HN 0.112 nan 8.210 nan 0.000 0.443 520 L N 0.695 121.651 121.223 -0.446 0.000 6.079 520 L HA -0.384 3.957 4.340 0.001 0.000 0.053 520 L C 1.894 177.943 176.870 -1.367 0.000 2.483 520 L CA 1.329 55.740 54.840 -0.716 0.000 1.581 520 L CB -1.869 39.831 42.059 -0.598 0.000 2.843 520 L HN 0.967 nan 8.230 nan 0.000 1.020 521 A N -0.481 121.214 122.820 -1.875 0.000 2.067 521 A HA -0.062 4.258 4.320 0.001 0.000 0.219 521 A C 1.457 178.579 177.584 -0.771 0.000 1.158 521 A CA 2.000 53.041 52.037 -1.661 0.000 0.661 521 A CB -0.553 17.855 19.000 -0.988 0.000 0.801 521 A HN 0.686 nan 8.150 nan 0.000 0.452 522 N N -0.580 117.756 118.700 -0.607 0.000 2.322 522 N HA -0.002 4.739 4.740 0.001 0.000 0.194 522 N C 1.209 176.442 175.510 -0.462 0.000 1.126 522 N CA 0.523 53.310 53.050 -0.439 0.000 0.845 522 N CB 0.279 38.537 38.487 -0.382 0.000 0.976 522 N HN 0.407 nan 8.380 nan 0.000 0.475 523 K N 1.672 121.767 120.400 -0.507 0.000 2.113 523 K HA -0.189 4.132 4.320 0.001 0.000 0.208 523 K C 1.894 178.008 176.600 -0.808 0.000 1.047 523 K CA 1.233 57.147 56.287 -0.620 0.000 0.928 523 K CB -0.122 32.050 32.500 -0.548 0.000 0.716 523 K HN -0.023 nan 8.250 nan 0.000 0.446 524 Q N 0.705 120.212 119.800 -0.489 0.000 2.234 524 Q HA -0.121 4.220 4.340 0.001 0.000 0.206 524 Q C 1.346 177.160 176.000 -0.309 0.000 0.980 524 Q CA 1.707 57.354 55.803 -0.260 0.000 0.869 524 Q CB -0.393 28.334 28.738 -0.020 0.000 0.912 524 Q HN 0.388 nan 8.270 nan 0.000 0.436 525 N N -0.604 117.883 118.700 -0.354 0.000 2.137 525 N HA -0.177 4.564 4.740 0.001 0.000 0.190 525 N C 1.631 176.937 175.510 -0.340 0.000 1.017 525 N CA 1.565 54.432 53.050 -0.304 0.000 0.859 525 N CB -0.831 37.456 38.487 -0.334 0.000 1.002 525 N HN 0.363 nan 8.380 nan 0.000 0.428 526 C N 0.342 119.305 119.300 -0.562 0.000 2.413 526 C HA -0.111 4.349 4.460 0.001 0.000 0.276 526 C C 2.469 177.264 174.990 -0.325 0.000 1.236 526 C CA 0.350 59.039 59.018 -0.548 0.000 1.735 526 C CB -1.571 25.658 27.740 -0.852 0.000 2.031 526 C HN 0.308 nan 8.230 nan 0.000 0.474 527 F N 1.553 121.429 119.950 -0.124 0.000 2.186 527 F HA -0.062 4.466 4.527 0.001 0.000 0.299 527 F C 2.119 177.956 175.800 0.060 0.000 1.090 527 F CA 1.251 59.233 58.000 -0.030 0.000 1.307 527 F CB -1.323 37.629 39.000 -0.081 0.000 1.019 527 F HN 0.199 nan 8.300 nan 0.000 0.489 528 D N 0.422 120.910 120.400 0.146 0.000 2.097 528 D HA -0.155 4.486 4.640 0.001 0.000 0.195 528 D C 1.831 178.217 176.300 0.144 0.000 0.989 528 D CA 1.529 55.597 54.000 0.114 0.000 0.827 528 D CB -0.541 40.281 40.800 0.038 0.000 0.966 528 D HN 0.174 nan 8.370 nan 0.000 0.456 529 D N -0.357 120.116 120.400 0.121 0.000 2.123 529 D HA -0.148 4.493 4.640 0.001 0.000 0.196 529 D C 1.824 178.335 176.300 0.352 0.000 0.992 529 D CA 0.513 54.649 54.000 0.226 0.000 0.833 529 D CB -0.450 40.420 40.800 0.117 0.000 0.954 529 D HN 0.151 nan 8.370 nan 0.000 0.455 530 F N 1.311 121.336 119.950 0.125 0.000 2.186 530 F HA -0.096 4.432 4.527 0.001 0.000 0.299 530 F C 2.399 178.275 175.800 0.127 0.000 1.090 530 F CA 1.191 59.261 58.000 0.116 0.000 1.307 530 F CB -0.174 38.874 39.000 0.079 0.000 1.019 530 F HN -0.082 nan 8.300 nan 0.000 0.489 531 Q N -1.326 118.610 119.800 0.227 0.000 2.119 531 Q HA -0.209 4.132 4.340 0.001 0.000 0.201 531 Q C 2.421 178.419 176.000 -0.004 0.000 0.972 531 Q CA 1.834 57.717 55.803 0.133 0.000 0.847 531 Q CB -0.504 28.329 28.738 0.159 0.000 0.903 531 Q HN 0.406 nan 8.270 nan 0.000 0.433 532 C N -0.041 119.277 119.300 0.029 0.000 2.435 532 C HA -0.031 4.429 4.460 0.001 0.000 0.279 532 C C 2.780 177.549 174.990 -0.369 0.000 1.321 532 C CA 0.528 59.535 59.018 -0.018 0.000 1.752 532 C CB -1.072 26.791 27.740 0.207 0.000 1.959 532 C HN 0.621 nan 8.230 nan 0.000 0.500 533 A N 0.822 123.278 122.820 -0.606 0.000 1.877 533 A HA 0.010 4.330 4.320 0.001 0.000 0.216 533 A C 2.394 179.726 177.584 -0.420 0.000 1.186 533 A CA 2.158 53.655 52.037 -0.901 0.000 0.620 533 A CB -1.014 17.644 19.000 -0.570 0.000 0.822 533 A HN 0.555 nan 8.150 nan 0.000 0.443 534 A N -0.151 122.487 122.820 -0.304 0.000 1.883 534 A HA -0.231 4.090 4.320 0.001 0.000 0.217 534 A C 1.927 179.445 177.584 -0.111 0.000 1.186 534 A CA 1.845 53.785 52.037 -0.161 0.000 0.624 534 A CB -0.657 18.299 19.000 -0.074 0.000 0.822 534 A HN 0.655 nan 8.150 nan 0.000 0.444 535 E N -1.881 118.251 120.200 -0.113 0.000 2.110 535 E HA -0.206 4.145 4.350 0.001 0.000 0.193 535 E C 1.875 178.462 176.600 -0.021 0.000 0.988 535 E CA 1.396 57.754 56.400 -0.070 0.000 0.804 535 E CB -0.314 29.356 29.700 -0.050 0.000 0.745 535 E HN 0.803 nan 8.360 nan 0.000 0.458 536 Y N 1.447 121.653 120.300 -0.156 0.000 2.145 536 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 536 Y C 1.924 177.824 175.900 0.000 0.000 1.145 536 Y CA 1.405 59.448 58.100 -0.095 0.000 1.148 536 Y CB -0.170 38.167 38.460 -0.205 0.000 0.981 536 Y HN -0.064 nan 8.280 nan 0.000 0.507 537 L N -0.444 120.877 121.223 0.162 0.000 2.131 537 L HA -0.224 4.117 4.340 0.001 0.000 0.210 537 L C 2.287 179.237 176.870 0.134 0.000 1.092 537 L CA 1.306 56.262 54.840 0.193 0.000 0.759 537 L CB -0.469 41.652 42.059 0.104 0.000 0.903 537 L HN 0.306 nan 8.230 nan 0.000 0.435 538 I N -0.313 120.273 120.570 0.027 0.000 2.277 538 I HA -0.252 3.918 4.170 0.001 0.000 0.243 538 I C 2.647 178.732 176.117 -0.053 0.000 1.094 538 I CA 1.103 62.398 61.300 -0.010 0.000 1.393 538 I CB -0.177 37.800 38.000 -0.039 0.000 1.078 538 I HN 0.148 nan 8.210 nan 0.000 0.417 539 K N 0.897 121.242 120.400 -0.091 0.000 2.057 539 K HA -0.183 4.137 4.320 0.001 0.000 0.207 539 K C 1.815 178.312 176.600 -0.170 0.000 1.049 539 K CA 1.393 57.607 56.287 -0.121 0.000 0.931 539 K CB 0.098 32.526 32.500 -0.119 0.000 0.714 539 K HN 0.102 nan 8.250 nan 0.000 0.440 540 E N -0.466 119.584 120.200 -0.249 0.000 2.482 540 E HA 0.010 4.361 4.350 0.001 0.000 0.196 540 E C 0.856 177.285 176.600 -0.284 0.000 1.047 540 E CA 0.877 57.105 56.400 -0.287 0.000 0.869 540 E CB 0.377 29.857 29.700 -0.366 0.000 0.836 540 E HN 0.600 nan 8.360 nan 0.000 0.520 541 G N 0.835 109.534 108.800 -0.169 0.000 2.137 541 G HA2 -0.330 3.630 3.960 0.001 0.000 0.237 541 G HA3 -0.330 3.630 3.960 0.001 0.000 0.237 541 G C 0.580 175.396 174.900 -0.140 0.000 1.002 541 G CA 0.435 45.444 45.100 -0.152 0.000 0.702 541 G HN 0.308 nan 8.290 nan 0.000 0.515 542 Y N -0.124 120.176 120.300 0.001 0.000 2.314 542 Y HA 0.345 4.896 4.550 0.001 0.000 0.293 542 Y C 2.007 177.986 175.900 0.131 0.000 1.129 542 Y CA 1.941 60.087 58.100 0.077 0.000 1.201 542 Y CB 0.376 38.876 38.460 0.067 0.000 0.999 542 Y HN 0.429 nan 8.280 nan 0.000 0.541 543 T N -2.189 112.488 114.554 0.204 0.000 2.693 543 T HA 0.541 4.891 4.350 0.001 0.000 0.304 543 T C -1.189 173.548 174.700 0.061 0.000 1.471 543 T CA -0.734 61.452 62.100 0.142 0.000 0.993 543 T CB 1.049 70.030 68.868 0.188 0.000 1.554 543 T HN -0.141 nan 8.240 nan 0.000 0.496 544 S N 1.165 116.894 115.700 0.048 0.000 2.638 544 S HA 0.542 5.012 4.470 0.001 0.000 0.302 544 S C -1.998 172.615 174.600 0.022 0.000 1.096 544 S CA -1.170 57.038 58.200 0.014 0.000 0.953 544 S CB 1.914 65.113 63.200 -0.002 0.000 1.107 544 S HN 0.557 nan 8.310 nan 0.000 0.503 545 P HA -0.158 nan 4.420 nan 0.000 0.216 545 P C 1.037 178.350 177.300 0.022 0.000 1.150 545 P CA 1.291 64.372 63.100 -0.031 0.000 0.837 545 P CB 0.001 31.652 31.700 -0.082 0.000 0.786 546 K N -0.460 119.956 120.400 0.026 0.000 2.439 546 K HA -0.010 4.310 4.320 0.001 0.000 0.197 546 K C 1.653 178.300 176.600 0.078 0.000 1.041 546 K CA 1.020 57.336 56.287 0.048 0.000 0.970 546 K CB -0.191 32.328 32.500 0.032 0.000 0.773 546 K HN 0.036 nan 8.250 nan 0.000 0.479 547 R N 0.308 120.863 120.500 0.091 0.000 2.397 547 R HA 0.222 4.563 4.340 0.001 0.000 0.241 547 R C -0.516 175.895 176.300 0.185 0.000 0.914 547 R CA -0.406 55.774 56.100 0.133 0.000 1.071 547 R CB 0.361 30.732 30.300 0.119 0.000 1.116 547 R HN 0.098 nan 8.270 nan 0.000 0.524 548 L N 1.074 122.396 121.223 0.165 0.000 2.275 548 L HA 0.337 4.677 4.340 0.001 0.000 0.288 548 L C -0.709 176.270 176.870 0.181 0.000 1.046 548 L CA 0.283 55.235 54.840 0.187 0.000 0.805 548 L CB 1.810 43.970 42.059 0.169 0.000 1.193 548 L HN -0.150 nan 8.230 nan 0.000 0.426 549 T N 6.760 121.391 114.554 0.128 0.000 2.794 549 T HA 0.606 4.956 4.350 0.001 0.000 0.280 549 T C -0.170 174.415 174.700 -0.192 0.000 0.987 549 T CA -0.227 61.873 62.100 -0.000 0.000 0.993 549 T CB 0.744 69.616 68.868 0.006 0.000 0.939 549 T HN 0.587 nan 8.240 nan 0.000 0.449 550 I N 1.336 121.765 120.570 -0.234 0.000 2.562 550 I HA 0.695 4.865 4.170 0.001 0.000 0.301 550 I C -0.321 175.604 176.117 -0.320 0.000 1.003 550 I CA -0.753 60.380 61.300 -0.279 0.000 1.127 550 I CB 1.781 39.628 38.000 -0.256 0.000 1.304 550 I HN 0.477 nan 8.210 nan 0.000 0.446 551 N N 3.087 121.606 118.700 -0.302 0.000 2.264 551 N HA 0.737 5.478 4.740 0.001 0.000 0.288 551 N C -1.290 174.107 175.510 -0.188 0.000 1.094 551 N CA -0.451 52.460 53.050 -0.231 0.000 0.817 551 N CB 2.708 41.004 38.487 -0.318 0.000 1.604 551 N HN 1.098 nan 8.380 nan 0.000 0.473 552 G N 0.089 108.793 108.800 -0.159 0.000 2.667 552 G HA2 0.569 4.529 3.960 0.001 0.000 0.294 552 G HA3 0.569 4.529 3.960 0.001 0.000 0.294 552 G C -1.462 173.401 174.900 -0.061 0.000 1.467 552 G CA -0.632 44.311 45.100 -0.261 0.000 0.852 552 G HN 0.561 nan 8.290 nan 0.000 0.521 553 G N -0.585 108.231 108.800 0.028 0.000 2.530 553 G HA2 0.811 4.771 3.960 0.001 0.000 0.316 553 G HA3 0.811 4.771 3.960 0.001 0.000 0.316 553 G C 0.646 175.579 174.900 0.054 0.000 1.298 553 G CA 1.137 46.263 45.100 0.043 0.000 0.948 553 G HN 2.265 nan 8.290 nan 0.000 0.486 554 A N 2.879 125.692 122.820 -0.011 0.000 4.957 554 A HA -0.367 3.954 4.320 0.001 0.000 0.317 554 A C 2.080 179.577 177.584 -0.146 0.000 1.940 554 A CA 2.253 54.281 52.037 -0.016 0.000 0.711 554 A CB -1.601 17.472 19.000 0.121 0.000 1.328 554 A HN 1.636 nan 8.150 nan 0.000 0.369 555 N N 0.726 119.310 118.700 -0.193 0.000 2.289 555 N HA 0.107 4.847 4.740 0.001 0.000 0.184 555 N C 1.586 176.864 175.510 -0.387 0.000 1.016 555 N CA 2.636 55.495 53.050 -0.318 0.000 0.872 555 N CB -0.611 37.586 38.487 -0.483 0.000 0.973 555 N HN 1.043 nan 8.380 nan 0.000 0.433 556 G N -1.117 107.494 108.800 -0.315 0.000 2.511 556 G HA2 -0.029 3.931 3.960 0.001 0.000 0.217 556 G HA3 -0.029 3.931 3.960 0.001 0.000 0.217 556 G C 1.392 176.137 174.900 -0.260 0.000 1.133 556 G CA 0.471 45.392 45.100 -0.298 0.000 0.792 556 G HN 0.421 nan 8.290 nan 0.000 0.539 557 G N 1.159 109.853 108.800 -0.177 0.000 2.394 557 G HA2 -0.103 3.858 3.960 0.001 0.000 0.215 557 G HA3 -0.103 3.858 3.960 0.001 0.000 0.215 557 G C 1.720 176.504 174.900 -0.192 0.000 1.165 557 G CA 0.959 45.965 45.100 -0.156 0.000 0.784 557 G HN 0.427 nan 8.290 nan 0.000 0.535 558 L N 0.434 121.530 121.223 -0.211 0.000 2.042 558 L HA -0.013 4.327 4.340 0.001 0.000 0.210 558 L C 2.496 179.273 176.870 -0.155 0.000 1.076 558 L CA 1.904 56.620 54.840 -0.207 0.000 0.749 558 L CB -0.566 41.377 42.059 -0.193 0.000 0.893 558 L HN 0.202 nan 8.230 nan 0.000 0.432 559 L N -0.402 120.728 121.223 -0.154 0.000 1.970 559 L HA -0.147 4.194 4.340 0.001 0.000 0.212 559 L C 2.522 179.263 176.870 -0.216 0.000 1.071 559 L CA 2.421 57.186 54.840 -0.126 0.000 0.751 559 L CB -0.855 40.958 42.059 -0.410 0.000 0.889 559 L HN 0.323 nan 8.230 nan 0.000 0.432 560 V N -2.439 117.303 119.914 -0.287 0.000 2.667 560 V HA 0.013 4.133 4.120 0.001 0.000 0.252 560 V C 2.446 178.432 176.094 -0.180 0.000 1.065 560 V CA 1.252 63.404 62.300 -0.247 0.000 1.083 560 V CB -1.680 29.998 31.823 -0.243 0.000 0.692 560 V HN 0.469 nan 8.190 nan 0.000 0.468 561 A N 0.843 123.576 122.820 -0.146 0.000 1.897 561 A HA -0.088 4.232 4.320 0.001 0.000 0.215 561 A C 2.333 179.858 177.584 -0.097 0.000 1.181 561 A CA 2.325 54.328 52.037 -0.056 0.000 0.620 561 A CB -1.172 17.714 19.000 -0.190 0.000 0.821 561 A HN 0.532 nan 8.150 nan 0.000 0.443 562 T N -0.734 113.662 114.554 -0.264 0.000 2.777 562 T HA -0.168 4.182 4.350 0.001 0.000 0.266 562 T C 1.884 176.421 174.700 -0.271 0.000 1.040 562 T CA 1.602 63.459 62.100 -0.405 0.000 1.141 562 T CB -0.627 67.624 68.868 -1.028 0.000 0.868 562 T HN 0.555 nan 8.240 nan 0.000 0.444 563 C N 1.681 120.877 119.300 -0.175 0.000 2.422 563 C HA 0.118 4.578 4.460 0.001 0.000 0.279 563 C C 3.163 178.245 174.990 0.154 0.000 1.305 563 C CA 0.198 59.250 59.018 0.058 0.000 1.757 563 C CB -1.472 26.364 27.740 0.159 0.000 1.962 563 C HN 0.647 nan 8.230 nan 0.000 0.499 564 A N 1.387 124.204 122.820 -0.005 0.000 1.873 564 A HA -0.167 4.153 4.320 0.001 0.000 0.215 564 A C 1.955 179.436 177.584 -0.171 0.000 1.186 564 A CA 1.873 53.897 52.037 -0.020 0.000 0.616 564 A CB -0.577 18.419 19.000 -0.007 0.000 0.823 564 A HN 0.602 nan 8.150 nan 0.000 0.442 565 N N -0.179 118.490 118.700 -0.051 0.000 2.120 565 N HA -0.148 4.592 4.740 0.001 0.000 0.188 565 N C 1.930 177.425 175.510 -0.026 0.000 1.024 565 N CA 1.710 54.764 53.050 0.006 0.000 0.852 565 N CB -0.393 38.161 38.487 0.112 0.000 1.003 565 N HN 0.680 nan 8.380 nan 0.000 0.424 566 Q N -0.558 119.232 119.800 -0.016 0.000 2.163 566 Q HA 0.139 4.479 4.340 0.001 0.000 0.198 566 Q C 0.049 176.054 176.000 0.008 0.000 0.954 566 Q CA 0.758 56.563 55.803 0.005 0.000 0.851 566 Q CB 0.504 29.244 28.738 0.003 0.000 0.928 566 Q HN 0.052 nan 8.270 nan 0.000 0.459 567 R N 0.420 120.940 120.500 0.034 0.000 2.653 567 R HA 0.188 4.529 4.340 0.001 0.000 0.269 567 R C -2.251 174.007 176.300 -0.070 0.000 1.603 567 R CA -1.496 54.584 56.100 -0.034 0.000 1.671 567 R CB 0.806 31.060 30.300 -0.077 0.000 1.300 567 R HN 0.120 nan 8.270 nan 0.000 0.668 568 P HA -0.164 nan 4.420 nan 0.000 0.220 568 P C 0.708 177.944 177.300 -0.108 0.000 1.148 568 P CA 1.160 64.174 63.100 -0.143 0.000 0.803 568 P CB 0.247 31.768 31.700 -0.298 0.000 0.782 569 D N -0.529 119.788 120.400 -0.138 0.000 2.350 569 D HA -0.124 4.516 4.640 0.001 0.000 0.216 569 D C 1.643 177.804 176.300 -0.232 0.000 0.968 569 D CA 0.485 54.403 54.000 -0.136 0.000 0.894 569 D CB -0.583 40.153 40.800 -0.107 0.000 0.909 569 D HN 0.141 nan 8.370 nan 0.000 0.520 570 L N -0.933 120.009 121.223 -0.468 0.000 2.554 570 L HA 0.283 4.623 4.340 0.001 0.000 0.225 570 L C -0.486 175.889 176.870 -0.824 0.000 1.104 570 L CA 0.318 54.692 54.840 -0.776 0.000 0.866 570 L CB 0.051 41.403 42.059 -1.179 0.000 1.047 570 L HN -0.179 nan 8.230 nan 0.000 0.468 571 F N -2.397 117.536 119.950 -0.028 0.000 2.565 571 F HA 0.573 5.100 4.527 0.001 0.000 0.313 571 F C 1.215 177.020 175.800 0.007 0.000 1.091 571 F CA -0.699 57.294 58.000 -0.012 0.000 0.915 571 F CB 1.135 40.127 39.000 -0.013 0.000 1.208 571 F HN -0.282 nan 8.300 nan 0.000 0.453 572 G N -0.336 108.588 108.800 0.206 0.000 2.492 572 G HA2 0.132 4.092 3.960 0.001 0.000 0.214 572 G HA3 0.132 4.092 3.960 0.001 0.000 0.214 572 G C -0.358 174.629 174.900 0.145 0.000 1.147 572 G CA 0.428 45.612 45.100 0.141 0.000 0.809 572 G HN 0.645 nan 8.290 nan 0.000 0.533 573 C N -0.237 119.162 119.300 0.165 0.000 2.880 573 C HA 0.701 5.162 4.460 0.001 0.000 0.320 573 C C -1.387 173.669 174.990 0.110 0.000 1.176 573 C CA -0.641 58.471 59.018 0.157 0.000 1.390 573 C CB 1.199 29.020 27.740 0.134 0.000 1.846 573 C HN 0.085 nan 8.230 nan 0.000 0.478 574 V N 6.462 126.457 119.914 0.134 0.000 2.569 574 V HA 0.503 4.623 4.120 0.001 0.000 0.301 574 V C -0.527 175.583 176.094 0.027 0.000 1.044 574 V CA -0.236 62.067 62.300 0.005 0.000 0.874 574 V CB 1.683 33.487 31.823 -0.031 0.000 1.002 574 V HN 0.733 nan 8.190 nan 0.000 0.424 575 I N 4.269 124.807 120.570 -0.053 0.000 2.354 575 I HA 0.690 4.860 4.170 0.001 0.000 0.286 575 I C 0.318 176.390 176.117 -0.075 0.000 1.007 575 I CA -0.517 60.739 61.300 -0.074 0.000 1.167 575 I CB 1.715 39.673 38.000 -0.071 0.000 1.320 575 I HN 0.664 nan 8.210 nan 0.000 0.458 576 A N 6.604 129.389 122.820 -0.057 0.000 2.256 576 A HA 0.562 4.883 4.320 0.001 0.000 0.317 576 A C -0.402 177.166 177.584 -0.028 0.000 1.318 576 A CA -0.485 51.526 52.037 -0.043 0.000 0.894 576 A CB 0.558 19.554 19.000 -0.006 0.000 1.165 576 A HN 0.725 nan 8.150 nan 0.000 0.525 577 Q N 1.309 121.093 119.800 -0.026 0.000 2.257 577 Q HA 0.431 4.771 4.340 0.001 0.000 0.255 577 Q C 0.581 176.568 176.000 -0.023 0.000 0.920 577 Q CA -0.223 55.570 55.803 -0.017 0.000 0.927 577 Q CB 1.999 30.732 28.738 -0.008 0.000 1.229 577 Q HN 1.540 nan 8.270 nan 0.000 0.433 578 V N -0.069 119.845 119.914 0.001 0.000 5.257 578 V HA -0.241 3.879 4.120 0.001 0.000 0.265 578 V C 0.279 176.392 176.094 0.033 0.000 0.646 578 V CA 0.867 63.191 62.300 0.040 0.000 0.650 578 V CB -2.370 29.465 31.823 0.020 0.000 0.424 578 V HN 0.824 nan 8.190 nan 0.000 0.862 579 G N -0.186 108.607 108.800 -0.012 0.000 2.503 579 G HA2 0.539 4.499 3.960 0.001 0.000 0.257 579 G HA3 0.539 4.499 3.960 0.001 0.000 0.257 579 G C -0.232 174.555 174.900 -0.187 0.000 1.214 579 G CA -0.186 44.856 45.100 -0.097 0.000 0.839 579 G HN 1.258 nan 8.290 nan 0.000 0.559 580 V N 3.792 123.518 119.914 -0.314 0.000 2.372 580 V HA 0.101 4.221 4.120 0.001 0.000 0.261 580 V C 0.624 176.504 176.094 -0.357 0.000 1.055 580 V CA -0.284 61.700 62.300 -0.526 0.000 0.930 580 V CB 1.011 32.538 31.823 -0.493 0.000 1.031 580 V HN 0.702 nan 8.190 nan 0.000 0.479 581 M N 1.126 120.609 119.600 -0.195 0.000 2.653 581 M HA 0.262 4.743 4.480 0.001 0.000 0.259 581 M C 0.674 176.987 176.300 0.022 0.000 1.244 581 M CA 0.451 55.635 55.300 -0.193 0.000 1.163 581 M CB -0.184 32.228 32.600 -0.312 0.000 1.309 581 M HN 0.522 nan 8.290 nan 0.000 0.509 582 D N 1.610 122.252 120.400 0.403 0.000 2.500 582 D HA 0.197 4.837 4.640 0.001 0.000 0.219 582 D C 0.779 177.363 176.300 0.474 0.000 1.137 582 D CA -0.021 54.218 54.000 0.398 0.000 0.946 582 D CB 0.765 41.760 40.800 0.325 0.000 1.022 582 D HN -0.057 nan 8.370 nan 0.000 0.518 583 M N 2.609 122.389 119.600 0.299 0.000 2.557 583 M HA 0.001 4.482 4.480 0.001 0.000 0.259 583 M C 1.623 178.171 176.300 0.412 0.000 1.086 583 M CA 0.526 56.000 55.300 0.291 0.000 1.096 583 M CB -0.249 32.308 32.600 -0.072 0.000 1.424 583 M HN 0.453 nan 8.290 nan 0.000 0.488 584 L N -0.969 120.413 121.223 0.265 0.000 2.249 584 L HA -0.080 4.261 4.340 0.001 0.000 0.207 584 L C 1.953 179.001 176.870 0.297 0.000 1.090 584 L CA 0.814 55.755 54.840 0.168 0.000 0.802 584 L CB -0.195 41.781 42.059 -0.139 0.000 0.947 584 L HN 0.241 nan 8.230 nan 0.000 0.453 585 K N -0.434 120.132 120.400 0.276 0.000 2.373 585 K HA 0.065 4.386 4.320 0.001 0.000 0.200 585 K C 1.780 178.313 176.600 -0.111 0.000 1.054 585 K CA 0.034 56.343 56.287 0.036 0.000 1.065 585 K CB 0.383 32.967 32.500 0.139 0.000 0.886 585 K HN 0.122 nan 8.250 nan 0.000 0.546 586 F N 2.165 122.285 119.950 0.283 0.000 2.147 586 F HA -0.288 4.240 4.527 0.001 0.000 0.301 586 F C 2.082 177.958 175.800 0.126 0.000 1.084 586 F CA 1.616 59.874 58.000 0.430 0.000 1.268 586 F CB -0.971 38.381 39.000 0.588 0.000 1.009 586 F HN 0.140 nan 8.300 nan 0.000 0.486 587 H N 0.353 118.878 119.070 -0.908 0.000 2.546 587 H HA 0.092 4.649 4.556 0.001 0.000 0.277 587 H C 1.224 176.309 175.328 -0.404 0.000 1.004 587 H CA 1.072 56.709 56.048 -0.685 0.000 1.231 587 H CB -0.631 28.679 29.762 -0.753 0.000 1.382 587 H HN 0.435 nan 8.280 nan 0.000 0.580 588 K N 0.284 120.089 120.400 -0.993 0.000 2.305 588 K HA 0.028 4.348 4.320 0.001 0.000 0.199 588 K C -0.397 175.773 176.600 -0.718 0.000 1.047 588 K CA 0.362 56.065 56.287 -0.973 0.000 0.976 588 K CB 0.252 31.948 32.500 -1.340 0.000 0.765 588 K HN 0.243 nan 8.250 nan 0.000 0.474 589 Y N 0.883 121.106 120.300 -0.127 0.000 2.409 589 Y HA 0.059 4.610 4.550 0.001 0.000 0.339 589 Y C 1.351 177.194 175.900 -0.095 0.000 1.033 589 Y CA -0.990 57.068 58.100 -0.071 0.000 1.094 589 Y CB 1.166 39.606 38.460 -0.032 0.000 1.210 589 Y HN 0.218 nan 8.280 nan 0.000 0.456 590 T N -0.288 114.325 114.554 0.099 0.000 13.618 590 T HA -0.416 3.935 4.350 0.001 0.000 0.415 590 T C 0.887 175.517 174.700 -0.117 0.000 1.445 590 T CA 1.868 63.967 62.100 -0.000 0.000 2.324 590 T CB -1.156 67.721 68.868 0.016 0.000 2.756 590 T HN 0.612 nan 8.240 nan 0.000 0.458 591 I N 2.701 123.126 120.570 -0.242 0.000 3.956 591 I HA 0.484 4.654 4.170 0.001 0.000 0.333 591 I C 2.326 177.824 176.117 -1.033 0.000 1.302 591 I CA 0.875 61.845 61.300 -0.551 0.000 1.122 591 I CB -0.572 37.188 38.000 -0.401 0.000 1.013 591 I HN 0.770 nan 8.210 nan 0.000 0.405 592 G N 0.640 108.840 108.800 -1.000 0.000 2.507 592 G HA2 -0.390 3.571 3.960 0.001 0.000 0.221 592 G HA3 -0.390 3.571 3.960 0.001 0.000 0.221 592 G C 1.451 175.937 174.900 -0.689 0.000 1.119 592 G CA 1.543 45.821 45.100 -1.369 0.000 0.751 592 G HN 0.710 nan 8.290 nan 0.000 0.574 593 H N -0.325 118.544 119.070 -0.336 0.000 2.489 593 H HA 0.343 4.900 4.556 0.001 0.000 0.293 593 H C 2.295 177.593 175.328 -0.049 0.000 1.066 593 H CA 1.058 57.034 56.048 -0.120 0.000 1.305 593 H CB -0.558 29.148 29.762 -0.094 0.000 1.386 593 H HN 0.288 nan 8.280 nan 0.000 0.551 594 A N 0.531 123.118 122.820 -0.387 0.000 2.119 594 A HA -0.024 4.296 4.320 0.001 0.000 0.216 594 A C 1.115 178.829 177.584 0.216 0.000 1.152 594 A CA 0.652 52.636 52.037 -0.088 0.000 0.708 594 A CB -0.719 18.130 19.000 -0.252 0.000 0.805 594 A HN 0.579 nan 8.150 nan 0.000 0.460 595 W N 0.569 122.044 121.300 0.291 0.000 3.180 595 W HA 0.061 4.721 4.660 0.001 0.000 0.254 595 W C 2.003 178.683 176.519 0.267 0.000 1.318 595 W CA 0.901 58.449 57.345 0.338 0.000 1.608 595 W CB -1.640 28.030 29.460 0.351 0.000 1.124 595 W HN 0.522 nan 8.180 nan 0.000 0.694 596 T N -2.225 112.672 114.554 0.571 0.000 3.051 596 T HA -0.168 4.183 4.350 0.001 0.000 0.269 596 T C 1.678 176.512 174.700 0.222 0.000 1.127 596 T CA 1.836 64.223 62.100 0.478 0.000 1.107 596 T CB -0.625 68.456 68.868 0.355 0.000 0.898 596 T HN 0.136 nan 8.240 nan 0.000 0.517 597 T N -1.533 113.094 114.554 0.121 0.000 2.995 597 T HA 0.031 4.382 4.350 0.001 0.000 0.269 597 T C 1.359 175.969 174.700 -0.149 0.000 1.091 597 T CA 1.060 63.163 62.100 0.005 0.000 1.128 597 T CB -0.241 68.632 68.868 0.009 0.000 0.891 597 T HN 0.326 nan 8.240 nan 0.000 0.492 598 D N -0.372 119.835 120.400 -0.323 0.000 2.338 598 D HA 0.172 4.812 4.640 0.001 0.000 0.224 598 D C 1.199 177.265 176.300 -0.389 0.000 0.967 598 D CA 0.503 54.114 54.000 -0.649 0.000 0.896 598 D CB 0.124 39.994 40.800 -1.550 0.000 1.028 598 D HN 0.378 nan 8.370 nan 0.000 0.493 599 Y N -0.006 120.275 120.300 -0.032 0.000 2.479 599 Y HA 0.407 4.957 4.550 0.001 0.000 0.283 599 Y C 1.524 177.578 175.900 0.257 0.000 1.109 599 Y CA 0.525 58.684 58.100 0.098 0.000 1.239 599 Y CB -0.015 38.479 38.460 0.057 0.000 1.108 599 Y HN -0.023 nan 8.280 nan 0.000 0.548 600 G N -0.511 108.519 108.800 0.383 0.000 2.685 600 G HA2 -0.142 3.818 3.960 0.001 0.000 0.387 600 G HA3 -0.142 3.818 3.960 0.001 0.000 0.387 600 G C -1.217 173.965 174.900 0.471 0.000 1.324 600 G CA -0.968 44.272 45.100 0.234 0.000 0.878 600 G HN 0.455 nan 8.290 nan 0.000 0.527 601 C N 0.198 119.767 119.300 0.450 0.000 2.535 601 C HA 0.749 5.210 4.460 0.001 0.000 0.319 601 C C 1.944 176.971 174.990 0.061 0.000 1.171 601 C CA 0.688 59.766 59.018 0.100 0.000 1.394 601 C CB 0.799 28.481 27.740 -0.096 0.000 1.990 601 C HN 2.068 nan 8.230 nan 0.000 0.466 602 S N 2.130 117.840 115.700 0.016 0.000 2.500 602 S HA -0.135 4.335 4.470 0.001 0.000 0.239 602 S C 0.982 175.730 174.600 0.247 0.000 0.989 602 S CA 1.604 59.940 58.200 0.226 0.000 0.951 602 S CB -0.277 63.130 63.200 0.346 0.000 0.759 602 S HN 0.871 nan 8.310 nan 0.000 0.523 603 D N 2.018 122.431 120.400 0.021 0.000 2.182 603 D HA -0.027 4.613 4.640 0.001 0.000 0.201 603 D C 1.086 177.442 176.300 0.093 0.000 0.986 603 D CA 1.149 55.165 54.000 0.027 0.000 0.847 603 D CB -0.294 40.454 40.800 -0.087 0.000 0.942 603 D HN 0.569 nan 8.370 nan 0.000 0.467 604 S N -0.052 115.595 115.700 -0.089 0.000 2.525 604 S HA 0.162 4.632 4.470 0.001 0.000 0.278 604 S C 0.942 175.252 174.600 -0.484 0.000 1.234 604 S CA -0.761 57.241 58.200 -0.330 0.000 1.058 604 S CB 2.370 65.158 63.200 -0.687 0.000 0.983 604 S HN -0.043 nan 8.310 nan 0.000 0.495 605 K N 2.612 122.526 120.400 -0.810 0.000 2.057 605 K HA -0.165 4.156 4.320 0.001 0.000 0.207 605 K C 2.098 178.450 176.600 -0.413 0.000 1.049 605 K CA 1.504 57.245 56.287 -0.909 0.000 0.931 605 K CB -0.326 31.762 32.500 -0.686 0.000 0.714 605 K HN 0.865 nan 8.250 nan 0.000 0.440 606 Q N 0.066 119.609 119.800 -0.427 0.000 2.030 606 Q HA -0.231 4.110 4.340 0.001 0.000 0.204 606 Q C 1.843 177.346 176.000 -0.829 0.000 0.986 606 Q CA 1.926 57.449 55.803 -0.465 0.000 0.843 606 Q CB -0.163 28.355 28.738 -0.365 0.000 0.904 606 Q HN 0.628 nan 8.270 nan 0.000 0.420 607 H N -1.289 117.208 119.070 -0.954 0.000 2.357 607 H HA -0.135 4.421 4.556 0.001 0.000 0.301 607 H C 1.969 177.035 175.328 -0.438 0.000 1.082 607 H CA 0.867 56.308 56.048 -1.012 0.000 1.342 607 H CB -0.178 29.301 29.762 -0.472 0.000 1.389 607 H HN 0.322 nan 8.280 nan 0.000 0.511 608 F N 2.588 122.395 119.950 -0.238 0.000 2.161 608 F HA -0.203 4.324 4.527 0.001 0.000 0.300 608 F C 2.153 177.834 175.800 -0.197 0.000 1.089 608 F CA 1.240 59.142 58.000 -0.163 0.000 1.282 608 F CB -0.024 38.952 39.000 -0.039 0.000 1.010 608 F HN 0.054 nan 8.300 nan 0.000 0.485 609 E N -0.203 119.813 120.200 -0.307 0.000 2.150 609 E HA -0.213 4.137 4.350 0.001 0.000 0.193 609 E C 2.138 178.656 176.600 -0.136 0.000 0.985 609 E CA 1.298 57.526 56.400 -0.287 0.000 0.814 609 E CB -0.675 28.957 29.700 -0.114 0.000 0.752 609 E HN 0.553 nan 8.360 nan 0.000 0.466 610 W N 1.056 122.283 121.300 -0.122 0.000 2.378 610 W HA -0.033 4.628 4.660 0.001 0.000 0.313 610 W C 2.333 178.717 176.519 -0.224 0.000 1.197 610 W CA 0.331 57.642 57.345 -0.056 0.000 1.304 610 W CB -1.336 28.155 29.460 0.052 0.000 1.148 610 W HN 0.040 nan 8.180 nan 0.000 0.494 611 L N -0.327 120.810 121.223 -0.143 0.000 2.056 611 L HA -0.188 4.153 4.340 0.001 0.000 0.207 611 L C 2.415 178.870 176.870 -0.691 0.000 1.078 611 L CA 0.952 55.473 54.840 -0.533 0.000 0.749 611 L CB -1.042 40.855 42.059 -0.270 0.000 0.901 611 L HN -0.162 nan 8.230 nan 0.000 0.433 612 I N 0.009 120.142 120.570 -0.727 0.000 2.454 612 I HA -0.270 3.901 4.170 0.001 0.000 0.254 612 I C 2.326 178.209 176.117 -0.390 0.000 1.156 612 I CA 1.594 62.474 61.300 -0.701 0.000 1.433 612 I CB -0.194 37.144 38.000 -1.102 0.000 1.082 612 I HN 0.097 nan 8.210 nan 0.000 0.432 613 K N -0.869 119.358 120.400 -0.288 0.000 2.288 613 K HA -0.144 4.176 4.320 0.001 0.000 0.201 613 K C 1.274 177.881 176.600 0.011 0.000 1.048 613 K CA 1.712 57.950 56.287 -0.082 0.000 0.956 613 K CB -0.044 32.474 32.500 0.030 0.000 0.746 613 K HN 0.658 nan 8.250 nan 0.000 0.461 614 Y N -3.302 116.959 120.300 -0.065 0.000 2.425 614 Y HA 0.326 4.876 4.550 0.001 0.000 0.261 614 Y C 0.399 176.203 175.900 -0.160 0.000 1.084 614 Y CA -0.821 57.202 58.100 -0.129 0.000 1.248 614 Y CB -0.140 38.273 38.460 -0.079 0.000 1.270 614 Y HN -0.259 nan 8.280 nan 0.000 0.524 615 S N 4.276 119.764 115.700 -0.354 0.000 2.998 615 S HA 0.009 4.479 4.470 0.001 0.000 0.348 615 S C -1.421 173.155 174.600 -0.040 0.000 1.210 615 S CA -0.586 57.516 58.200 -0.164 0.000 1.118 615 S CB 0.416 63.577 63.200 -0.064 0.000 0.832 615 S HN 0.255 nan 8.310 nan 0.000 0.516 616 P HA -0.141 nan 4.420 nan 0.000 0.216 616 P C 1.555 178.789 177.300 -0.109 0.000 1.153 616 P CA 0.573 63.514 63.100 -0.265 0.000 0.858 616 P CB 0.049 31.308 31.700 -0.736 0.000 0.789 617 L N -1.140 119.991 121.223 -0.153 0.000 2.131 617 L HA -0.152 4.189 4.340 0.001 0.000 0.210 617 L C 1.279 178.024 176.870 -0.208 0.000 1.092 617 L CA 2.086 56.865 54.840 -0.102 0.000 0.759 617 L CB -1.233 40.645 42.059 -0.302 0.000 0.903 617 L HN 0.098 nan 8.230 nan 0.000 0.435 618 H N -1.737 117.368 119.070 0.059 0.000 2.542 618 H HA 0.349 4.906 4.556 0.001 0.000 0.283 618 H C 0.483 175.842 175.328 0.052 0.000 1.059 618 H CA 0.092 56.170 56.048 0.049 0.000 1.162 618 H CB -0.028 29.726 29.762 -0.014 0.000 1.539 618 H HN 0.296 nan 8.280 nan 0.000 0.543 619 N N 0.508 119.300 118.700 0.153 0.000 2.305 619 N HA 0.078 4.819 4.740 0.001 0.000 0.248 619 N C -0.723 174.899 175.510 0.187 0.000 1.290 619 N CA 0.113 53.246 53.050 0.138 0.000 0.873 619 N CB 1.956 40.495 38.487 0.087 0.000 1.261 619 N HN -0.011 nan 8.380 nan 0.000 0.504 620 V N 1.721 121.753 119.914 0.198 0.000 2.421 620 V HA 0.139 4.259 4.120 0.001 0.000 0.271 620 V C 0.454 176.616 176.094 0.112 0.000 1.031 620 V CA 0.427 62.832 62.300 0.174 0.000 1.032 620 V CB 0.317 32.184 31.823 0.073 0.000 1.009 620 V HN 0.052 nan 8.190 nan 0.000 0.477 621 K N 4.733 125.232 120.400 0.164 0.000 2.553 621 K HA 0.452 4.772 4.320 0.001 0.000 0.250 621 K C -0.930 175.770 176.600 0.167 0.000 0.953 621 K CA -0.868 55.498 56.287 0.131 0.000 0.800 621 K CB 1.864 34.448 32.500 0.140 0.000 1.243 621 K HN 0.524 nan 8.250 nan 0.000 0.435 622 L N 5.465 126.730 121.223 0.071 0.000 2.584 622 L HA 0.058 4.398 4.340 0.001 0.000 0.272 622 L C -1.973 174.972 176.870 0.126 0.000 1.195 622 L CA -1.309 53.578 54.840 0.079 0.000 0.920 622 L CB 0.086 42.156 42.059 0.019 0.000 1.173 622 L HN 0.402 nan 8.230 nan 0.000 0.489 623 P HA -0.019 nan 4.420 nan 0.000 0.265 623 P C 0.358 177.702 177.300 0.073 0.000 1.193 623 P CA -0.134 63.039 63.100 0.120 0.000 0.765 623 P CB 0.573 32.345 31.700 0.120 0.000 0.823 624 E N 2.010 122.243 120.200 0.055 0.000 2.038 624 E HA -0.134 4.216 4.350 0.001 0.000 0.195 624 E C 0.811 177.429 176.600 0.031 0.000 1.000 624 E CA 1.103 57.527 56.400 0.039 0.000 0.803 624 E CB -0.482 29.238 29.700 0.032 0.000 0.750 624 E HN 0.572 nan 8.360 nan 0.000 0.448 625 A N 1.542 124.378 122.820 0.028 0.000 2.462 625 A HA 0.004 4.325 4.320 0.001 0.000 0.243 625 A C 0.408 178.006 177.584 0.024 0.000 1.076 625 A CA 0.050 52.099 52.037 0.020 0.000 0.773 625 A CB 0.146 19.154 19.000 0.013 0.000 1.010 625 A HN -0.026 nan 8.150 nan 0.000 0.493 626 D N 0.212 120.623 120.400 0.018 0.000 2.224 626 D HA -0.098 4.542 4.640 0.001 0.000 0.205 626 D C 1.129 177.440 176.300 0.018 0.000 0.965 626 D CA 1.579 55.590 54.000 0.018 0.000 0.852 626 D CB 0.187 40.995 40.800 0.013 0.000 0.947 626 D HN 0.780 nan 8.370 nan 0.000 0.494 627 D N -0.000 120.409 120.400 0.015 0.000 2.340 627 D HA -0.042 4.598 4.640 0.001 0.000 0.220 627 D C 0.288 176.598 176.300 0.017 0.000 1.039 627 D CA 0.178 54.185 54.000 0.013 0.000 0.866 627 D CB 0.553 41.356 40.800 0.006 0.000 0.913 627 D HN 0.240 nan 8.370 nan 0.000 0.523 628 I N 1.658 122.243 120.570 0.025 0.000 2.418 628 I HA 0.159 4.329 4.170 0.001 0.000 0.287 628 I C -0.071 176.084 176.117 0.063 0.000 1.008 628 I CA -0.729 60.590 61.300 0.031 0.000 1.104 628 I CB 1.872 39.881 38.000 0.016 0.000 1.264 628 I HN -0.045 nan 8.210 nan 0.000 0.438 629 Q N 4.672 124.519 119.800 0.079 0.000 2.418 629 Q HA 0.496 4.837 4.340 0.001 0.000 0.276 629 Q C -1.324 174.788 176.000 0.186 0.000 1.081 629 Q CA -0.929 54.958 55.803 0.139 0.000 0.864 629 Q CB 1.423 30.230 28.738 0.114 0.000 1.384 629 Q HN 0.358 nan 8.270 nan 0.000 0.467 630 Y N 1.778 122.105 120.300 0.046 0.000 2.497 630 Y HA 0.169 4.720 4.550 0.001 0.000 0.334 630 Y C -1.865 174.085 175.900 0.083 0.000 1.199 630 Y CA -1.506 56.633 58.100 0.064 0.000 1.425 630 Y CB 0.308 38.793 38.460 0.042 0.000 1.291 630 Y HN 0.531 nan 8.280 nan 0.000 0.562 631 P HA -0.012 nan 4.420 nan 0.000 0.271 631 P C -0.660 176.763 177.300 0.205 0.000 1.233 631 P CA -0.189 63.013 63.100 0.170 0.000 0.789 631 P CB 0.536 32.344 31.700 0.180 0.000 0.951 632 S N 0.942 116.753 115.700 0.187 0.000 2.537 632 S HA 0.207 4.677 4.470 0.001 0.000 0.286 632 S C 0.449 175.290 174.600 0.402 0.000 1.299 632 S CA 0.193 58.541 58.200 0.247 0.000 1.067 632 S CB -0.544 62.690 63.200 0.057 0.000 0.864 632 S HN 0.331 nan 8.310 nan 0.000 0.494 633 M N 3.406 123.264 119.600 0.430 0.000 2.263 633 M HA 0.447 4.928 4.480 0.001 0.000 0.295 633 M C -1.377 174.876 176.300 -0.080 0.000 1.028 633 M CA -0.661 54.763 55.300 0.208 0.000 0.921 633 M CB 1.889 34.556 32.600 0.111 0.000 1.601 633 M HN 0.463 nan 8.290 nan 0.000 0.440 634 L N 5.255 126.256 121.223 -0.369 0.000 2.372 634 L HA 0.640 4.980 4.340 0.001 0.000 0.274 634 L C -1.737 174.970 176.870 -0.272 0.000 0.988 634 L CA -0.252 54.215 54.840 -0.621 0.000 0.833 634 L CB 1.322 42.598 42.059 -1.305 0.000 1.236 634 L HN 0.662 nan 8.230 nan 0.000 0.410 635 L N 6.134 127.259 121.223 -0.163 0.000 2.289 635 L HA 0.526 4.866 4.340 0.001 0.000 0.285 635 L C -0.777 176.069 176.870 -0.040 0.000 1.049 635 L CA -0.583 54.225 54.840 -0.052 0.000 0.804 635 L CB 1.292 43.366 42.059 0.025 0.000 1.195 635 L HN 0.524 nan 8.230 nan 0.000 0.428 636 L N 3.108 124.323 121.223 -0.013 0.000 2.325 636 L HA 0.687 5.028 4.340 0.001 0.000 0.281 636 L C -0.028 176.866 176.870 0.039 0.000 1.004 636 L CA -0.088 54.768 54.840 0.025 0.000 0.823 636 L CB 1.951 44.019 42.059 0.015 0.000 1.236 636 L HN 0.625 nan 8.230 nan 0.000 0.415 637 T N 1.691 116.275 114.554 0.049 0.000 2.681 637 T HA 0.903 5.254 4.350 0.001 0.000 0.296 637 T C -1.767 172.960 174.700 0.045 0.000 1.157 637 T CA -0.197 61.937 62.100 0.055 0.000 1.025 637 T CB 2.079 70.987 68.868 0.066 0.000 1.441 637 T HN 0.723 nan 8.240 nan 0.000 0.504 638 A N 0.765 123.624 122.820 0.065 0.000 2.587 638 A HA 0.620 4.940 4.320 0.001 0.000 0.293 638 A C 0.107 177.742 177.584 0.085 0.000 1.087 638 A CA -0.131 51.948 52.037 0.070 0.000 0.692 638 A CB 1.357 20.417 19.000 0.100 0.000 1.291 638 A HN 0.864 nan 8.150 nan 0.000 0.407 639 D N -0.532 119.921 120.400 0.088 0.000 2.363 639 D HA -0.050 4.590 4.640 0.001 0.000 0.220 639 D C 0.492 176.754 176.300 -0.062 0.000 0.994 639 D CA 1.446 55.460 54.000 0.022 0.000 0.890 639 D CB -0.247 40.555 40.800 0.004 0.000 0.906 639 D HN 0.622 nan 8.370 nan 0.000 0.530 640 H N -0.650 118.459 119.070 0.066 0.000 2.528 640 H HA 0.203 4.760 4.556 0.001 0.000 0.282 640 H C -0.550 174.838 175.328 0.100 0.000 1.097 640 H CA -0.562 55.536 56.048 0.083 0.000 1.121 640 H CB 0.265 30.077 29.762 0.082 0.000 1.590 640 H HN -0.041 nan 8.280 nan 0.000 0.553 641 D N 1.665 122.173 120.400 0.180 0.000 2.416 641 D HA -0.040 4.601 4.640 0.001 0.000 0.240 641 D C 0.190 176.583 176.300 0.154 0.000 1.250 641 D CA -0.048 54.066 54.000 0.191 0.000 0.967 641 D CB 0.265 41.193 40.800 0.213 0.000 1.059 641 D HN 0.425 nan 8.370 nan 0.000 0.512 642 D N 1.979 122.458 120.400 0.132 0.000 2.340 642 D HA -0.014 4.627 4.640 0.001 0.000 0.217 642 D C 1.518 177.874 176.300 0.093 0.000 1.081 642 D CA -0.172 53.882 54.000 0.091 0.000 0.842 642 D CB 0.260 41.089 40.800 0.048 0.000 0.934 642 D HN 0.193 nan 8.370 nan 0.000 0.511 643 R N 0.519 121.074 120.500 0.092 0.000 2.048 643 R HA 0.160 4.500 4.340 0.001 0.000 0.224 643 R C 0.060 176.504 176.300 0.239 0.000 1.163 643 R CA 0.862 56.996 56.100 0.056 0.000 0.956 643 R CB -0.103 29.981 30.300 -0.360 0.000 0.849 643 R HN 0.009 nan 8.270 nan 0.000 0.435 644 V N 3.550 123.575 119.914 0.184 0.000 2.275 644 V HA 0.246 4.367 4.120 0.001 0.000 0.272 644 V C -0.447 175.854 176.094 0.344 0.000 1.028 644 V CA -1.050 61.466 62.300 0.360 0.000 0.810 644 V CB 1.013 32.962 31.823 0.210 0.000 1.043 644 V HN 0.243 nan 8.190 nan 0.000 0.453 645 V N 4.279 124.418 119.914 0.373 0.000 2.644 645 V HA 0.106 4.227 4.120 0.001 0.000 0.305 645 V C -1.264 174.936 176.094 0.176 0.000 1.053 645 V CA -0.628 61.785 62.300 0.188 0.000 1.186 645 V CB 0.178 32.006 31.823 0.009 0.000 0.895 645 V HN 0.610 nan 8.190 nan 0.000 0.490 646 P HA -0.094 nan 4.420 nan 0.000 0.222 646 P C 1.601 178.916 177.300 0.025 0.000 1.147 646 P CA 1.056 64.200 63.100 0.075 0.000 0.790 646 P CB -0.115 31.608 31.700 0.037 0.000 0.780 647 L N -3.156 118.015 121.223 -0.086 0.000 2.129 647 L HA -0.211 4.129 4.340 0.001 0.000 0.212 647 L C 2.284 179.077 176.870 -0.130 0.000 1.087 647 L CA 1.993 56.720 54.840 -0.188 0.000 0.757 647 L CB -2.180 39.671 42.059 -0.346 0.000 0.896 647 L HN 0.041 nan 8.230 nan 0.000 0.434 648 H N 0.466 119.531 119.070 -0.009 0.000 2.289 648 H HA -0.125 4.432 4.556 0.001 0.000 0.296 648 H C 2.432 177.791 175.328 0.052 0.000 1.091 648 H CA 2.051 58.123 56.048 0.039 0.000 1.274 648 H CB -0.272 29.537 29.762 0.077 0.000 1.364 648 H HN 0.495 nan 8.280 nan 0.000 0.490 649 S N 0.425 116.245 115.700 0.200 0.000 2.406 649 S HA -0.033 4.437 4.470 0.001 0.000 0.228 649 S C 2.514 177.194 174.600 0.134 0.000 1.020 649 S CA 0.406 58.716 58.200 0.184 0.000 0.965 649 S CB -0.090 63.192 63.200 0.136 0.000 0.798 649 S HN 0.223 nan 8.310 nan 0.000 0.488 650 L N 1.147 122.401 121.223 0.052 0.000 2.027 650 L HA -0.092 4.248 4.340 0.001 0.000 0.206 650 L C 2.433 179.191 176.870 -0.186 0.000 1.074 650 L CA 1.221 56.052 54.840 -0.015 0.000 0.745 650 L CB -0.522 41.444 42.059 -0.154 0.000 0.898 650 L HN 0.218 nan 8.230 nan 0.000 0.433 651 K N -0.578 119.710 120.400 -0.187 0.000 2.097 651 K HA -0.166 4.154 4.320 0.001 0.000 0.205 651 K C 2.139 178.717 176.600 -0.038 0.000 1.050 651 K CA 1.228 57.406 56.287 -0.182 0.000 0.938 651 K CB -0.242 32.198 32.500 -0.100 0.000 0.718 651 K HN 0.075 nan 8.250 nan 0.000 0.442 652 F N 2.023 121.909 119.950 -0.106 0.000 2.075 652 F HA -0.179 4.348 4.527 0.001 0.000 0.297 652 F C 2.124 177.869 175.800 -0.093 0.000 1.113 652 F CA 0.797 58.753 58.000 -0.073 0.000 1.218 652 F CB -0.514 38.470 39.000 -0.027 0.000 0.984 652 F HN -0.145 nan 8.300 nan 0.000 0.472 653 I N 0.629 121.100 120.570 -0.165 0.000 2.286 653 I HA -0.193 3.978 4.170 0.001 0.000 0.248 653 I C 2.409 178.358 176.117 -0.280 0.000 1.115 653 I CA 1.622 62.758 61.300 -0.273 0.000 1.392 653 I CB -1.036 36.892 38.000 -0.121 0.000 1.065 653 I HN 0.162 nan 8.210 nan 0.000 0.418 654 A N -0.963 121.698 122.820 -0.264 0.000 1.902 654 A HA -0.220 4.100 4.320 0.001 0.000 0.217 654 A C 2.347 179.648 177.584 -0.472 0.000 1.181 654 A CA 2.483 54.217 52.037 -0.505 0.000 0.623 654 A CB -1.341 16.976 19.000 -1.138 0.000 0.818 654 A HN 0.466 nan 8.150 nan 0.000 0.443 655 T N 0.358 114.738 114.554 -0.289 0.000 2.777 655 T HA -0.042 4.309 4.350 0.001 0.000 0.266 655 T C 1.825 176.451 174.700 -0.122 0.000 1.040 655 T CA 1.370 63.472 62.100 0.003 0.000 1.141 655 T CB -0.359 68.562 68.868 0.089 0.000 0.868 655 T HN 0.351 nan 8.240 nan 0.000 0.444 656 L N 0.671 121.685 121.223 -0.347 0.000 2.017 656 L HA -0.156 4.184 4.340 0.001 0.000 0.208 656 L C 2.916 179.559 176.870 -0.378 0.000 1.073 656 L CA 1.486 56.059 54.840 -0.444 0.000 0.745 656 L CB -0.520 41.176 42.059 -0.605 0.000 0.894 656 L HN 0.286 nan 8.230 nan 0.000 0.432 657 Q N -1.560 118.005 119.800 -0.392 0.000 2.119 657 Q HA -0.228 4.113 4.340 0.001 0.000 0.201 657 Q C 2.047 177.920 176.000 -0.212 0.000 0.972 657 Q CA 1.644 57.151 55.803 -0.494 0.000 0.847 657 Q CB -0.149 28.204 28.738 -0.642 0.000 0.903 657 Q HN 0.446 nan 8.270 nan 0.000 0.433 658 Y N 0.824 121.020 120.300 -0.173 0.000 2.153 658 Y HA -0.190 4.360 4.550 0.001 0.000 0.289 658 Y C 1.871 177.741 175.900 -0.050 0.000 1.127 658 Y CA 1.199 59.276 58.100 -0.037 0.000 1.131 658 Y CB 0.053 38.574 38.460 0.101 0.000 0.995 658 Y HN 0.005 nan 8.280 nan 0.000 0.505 659 I N -1.070 119.453 120.570 -0.077 0.000 2.233 659 I HA -0.168 4.003 4.170 0.001 0.000 0.243 659 I C 2.113 178.093 176.117 -0.229 0.000 1.093 659 I CA 1.185 62.386 61.300 -0.164 0.000 1.380 659 I CB -1.230 36.741 38.000 -0.048 0.000 1.067 659 I HN 0.175 nan 8.210 nan 0.000 0.413 660 V N 0.559 120.308 119.914 -0.275 0.000 2.581 660 V HA 0.153 4.273 4.120 0.001 0.000 0.240 660 V C 2.572 178.554 176.094 -0.188 0.000 1.054 660 V CA 1.299 63.418 62.300 -0.300 0.000 1.076 660 V CB -0.869 30.605 31.823 -0.581 0.000 0.748 660 V HN 0.401 nan 8.190 nan 0.000 0.474 661 G N -0.078 108.604 108.800 -0.195 0.000 2.462 661 G HA2 -0.233 3.728 3.960 0.001 0.000 0.220 661 G HA3 -0.233 3.728 3.960 0.001 0.000 0.220 661 G C 1.724 176.649 174.900 0.041 0.000 1.121 661 G CA 0.598 45.665 45.100 -0.055 0.000 0.758 661 G HN 0.360 nan 8.290 nan 0.000 0.559 662 R N 0.521 120.985 120.500 -0.061 0.000 2.115 662 R HA 0.030 4.370 4.340 0.001 0.000 0.226 662 R C 1.775 178.040 176.300 -0.058 0.000 1.100 662 R CA 0.659 56.724 56.100 -0.060 0.000 0.980 662 R CB -0.190 29.996 30.300 -0.190 0.000 0.875 662 R HN 0.442 nan 8.270 nan 0.000 0.445 663 S N 0.182 115.837 115.700 -0.075 0.000 2.568 663 S HA 0.024 4.494 4.470 0.001 0.000 0.282 663 S C 0.826 175.412 174.600 -0.023 0.000 1.338 663 S CA -0.397 57.771 58.200 -0.053 0.000 1.045 663 S CB 1.597 64.764 63.200 -0.055 0.000 0.873 663 S HN 0.076 nan 8.310 nan 0.000 0.516 664 R N 1.788 122.277 120.500 -0.019 0.000 2.275 664 R HA 0.110 4.450 4.340 0.001 0.000 0.199 664 R C 1.947 178.244 176.300 -0.004 0.000 0.989 664 R CA 1.393 57.486 56.100 -0.012 0.000 1.016 664 R CB -0.289 30.003 30.300 -0.013 0.000 0.918 664 R HN 0.913 nan 8.270 nan 0.000 0.473 665 K N -1.196 119.206 120.400 0.002 0.000 2.400 665 K HA 0.011 4.331 4.320 0.001 0.000 0.194 665 K C 0.313 176.928 176.600 0.025 0.000 1.033 665 K CA 0.134 56.429 56.287 0.014 0.000 1.021 665 K CB 0.235 32.746 32.500 0.019 0.000 0.808 665 K HN -0.152 nan 8.250 nan 0.000 0.505 666 Q N 1.909 121.724 119.800 0.024 0.000 2.337 666 Q HA 0.152 4.492 4.340 0.001 0.000 0.255 666 Q C -0.450 175.572 176.000 0.036 0.000 0.997 666 Q CA -0.037 55.791 55.803 0.043 0.000 0.925 666 Q CB 0.848 29.608 28.738 0.037 0.000 1.212 666 Q HN 0.297 nan 8.270 nan 0.000 0.436 667 N N 2.600 121.325 118.700 0.041 0.000 2.210 667 N HA 0.071 4.812 4.740 0.001 0.000 0.203 667 N C -0.668 174.871 175.510 0.047 0.000 1.175 667 N CA -0.111 52.953 53.050 0.023 0.000 0.894 667 N CB 0.359 38.854 38.487 0.013 0.000 1.041 667 N HN 0.391 nan 8.380 nan 0.000 0.506 668 N N 3.598 122.346 118.700 0.080 0.000 2.475 668 N HA 0.178 4.919 4.740 0.001 0.000 0.267 668 N C -2.365 173.228 175.510 0.138 0.000 1.169 668 N CA -0.861 52.251 53.050 0.103 0.000 0.947 668 N CB 0.674 39.234 38.487 0.121 0.000 1.061 668 N HN 0.155 nan 8.380 nan 0.000 0.466 669 P HA 0.129 nan 4.420 nan 0.000 0.271 669 P C -0.629 176.818 177.300 0.245 0.000 1.218 669 P CA -0.025 63.189 63.100 0.190 0.000 0.780 669 P CB 0.810 32.483 31.700 -0.044 0.000 0.901 670 L N 3.539 124.917 121.223 0.259 0.000 2.401 670 L HA 0.464 4.804 4.340 0.001 0.000 0.263 670 L C -0.036 176.831 176.870 -0.005 0.000 1.004 670 L CA -0.283 54.593 54.840 0.060 0.000 0.881 670 L CB 0.700 42.690 42.059 -0.115 0.000 1.219 670 L HN 0.208 nan 8.230 nan 0.000 0.441 671 L N 3.422 124.605 121.223 -0.066 0.000 2.354 671 L HA 0.670 5.010 4.340 0.001 0.000 0.264 671 L C -0.776 175.995 176.870 -0.165 0.000 1.008 671 L CA -0.680 54.085 54.840 -0.126 0.000 0.819 671 L CB 3.144 45.096 42.059 -0.177 0.000 1.339 671 L HN 0.439 nan 8.230 nan 0.000 0.420 672 I N 0.331 120.822 120.570 -0.132 0.000 2.689 672 I HA 0.413 4.583 4.170 0.001 0.000 0.299 672 I C -1.182 174.913 176.117 -0.037 0.000 1.059 672 I CA -0.313 60.934 61.300 -0.088 0.000 1.055 672 I CB 1.980 39.940 38.000 -0.067 0.000 1.243 672 I HN 0.632 nan 8.210 nan 0.000 0.425 673 H N 6.917 125.926 119.070 -0.102 0.000 2.547 673 H HA 0.495 5.052 4.556 0.001 0.000 0.342 673 H C -1.862 173.446 175.328 -0.034 0.000 1.048 673 H CA -0.595 55.410 56.048 -0.072 0.000 1.204 673 H CB 1.913 31.634 29.762 -0.068 0.000 1.493 673 H HN 0.370 nan 8.280 nan 0.000 0.511 674 V N 5.748 125.357 119.914 -0.508 0.000 2.328 674 V HA 0.055 4.175 4.120 0.001 0.000 0.278 674 V C 0.283 176.095 176.094 -0.470 0.000 1.021 674 V CA -0.716 61.385 62.300 -0.332 0.000 0.838 674 V CB 1.170 32.905 31.823 -0.147 0.000 0.999 674 V HN 0.740 nan 8.190 nan 0.000 0.447 675 D N 3.393 123.640 120.400 -0.254 0.000 2.329 675 D HA 0.471 5.112 4.640 0.001 0.000 0.246 675 D C 0.410 176.711 176.300 0.002 0.000 1.111 675 D CA 0.085 54.037 54.000 -0.080 0.000 0.941 675 D CB 1.546 42.405 40.800 0.099 0.000 1.169 675 D HN 0.676 nan 8.370 nan 0.000 0.441 676 T N -0.922 113.657 114.554 0.042 0.000 2.943 676 T HA 0.369 4.720 4.350 0.001 0.000 0.284 676 T C 0.166 174.918 174.700 0.087 0.000 1.015 676 T CA -0.925 61.225 62.100 0.084 0.000 1.042 676 T CB 1.067 69.975 68.868 0.066 0.000 1.055 676 T HN 0.491 nan 8.240 nan 0.000 0.500 677 K N -0.596 119.860 120.400 0.095 0.000 3.016 677 K HA -0.133 4.188 4.320 0.001 0.000 0.262 677 K C 0.051 176.628 176.600 -0.037 0.000 1.043 677 K CA 0.669 56.920 56.287 -0.061 0.000 0.761 677 K CB -2.012 30.461 32.500 -0.045 0.000 1.230 677 K HN 0.973 nan 8.250 nan 0.000 0.485 678 A N -0.803 122.048 122.820 0.051 0.000 2.527 678 A HA 0.855 5.175 4.320 0.001 0.000 0.293 678 A C 0.323 177.988 177.584 0.135 0.000 1.117 678 A CA -0.059 52.020 52.037 0.069 0.000 0.723 678 A CB 2.013 21.057 19.000 0.074 0.000 1.313 678 A HN 0.222 nan 8.150 nan 0.000 0.411 679 G N -1.296 107.581 108.800 0.129 0.000 3.291 679 G HA2 0.392 4.352 3.960 0.001 0.000 0.173 679 G HA3 0.392 4.352 3.960 0.001 0.000 0.173 679 G C 0.563 175.570 174.900 0.178 0.000 1.099 679 G CA 0.554 45.760 45.100 0.176 0.000 0.794 679 G HN 0.872 nan 8.290 nan 0.000 0.651 680 H N -0.561 118.564 119.070 0.092 0.000 2.421 680 H HA 0.159 4.716 4.556 0.001 0.000 0.298 680 H C 1.894 177.259 175.328 0.061 0.000 1.087 680 H CA 2.813 58.908 56.048 0.078 0.000 1.330 680 H CB 0.253 30.066 29.762 0.085 0.000 1.388 680 H HN 0.794 nan 8.280 nan 0.000 0.526 681 G N -1.909 106.927 108.800 0.059 0.000 3.611 681 G HA2 -0.058 3.903 3.960 0.001 0.000 0.217 681 G HA3 -0.058 3.903 3.960 0.001 0.000 0.217 681 G C 0.224 175.146 174.900 0.038 0.000 1.023 681 G CA -0.109 44.990 45.100 -0.001 0.000 0.887 681 G HN 0.590 nan 8.290 nan 0.000 0.420 682 A N 0.784 123.647 122.820 0.072 0.000 2.524 682 A HA 0.569 4.890 4.320 0.001 0.000 0.250 682 A C 1.852 179.471 177.584 0.060 0.000 1.078 682 A CA 1.768 53.844 52.037 0.066 0.000 0.761 682 A CB -0.341 18.710 19.000 0.086 0.000 1.012 682 A HN 2.404 nan 8.150 nan 0.000 0.500 683 G N 1.471 110.297 108.800 0.044 0.000 2.176 683 G HA2 -0.268 3.693 3.960 0.001 0.000 0.253 683 G HA3 -0.268 3.693 3.960 0.001 0.000 0.253 683 G C 0.387 175.310 174.900 0.038 0.000 0.979 683 G CA 0.592 45.716 45.100 0.040 0.000 0.641 683 G HN 1.069 nan 8.290 nan 0.000 0.530 684 K N 2.050 122.473 120.400 0.039 0.000 2.447 684 K HA 0.317 4.637 4.320 0.001 0.000 0.281 684 K C -1.591 175.031 176.600 0.038 0.000 1.031 684 K CA -0.979 55.330 56.287 0.037 0.000 1.019 684 K CB 0.605 33.126 32.500 0.035 0.000 0.918 684 K HN 0.164 nan 8.250 nan 0.000 0.476 685 P HA -0.024 nan 4.420 nan 0.000 0.269 685 P C 0.213 177.542 177.300 0.048 0.000 1.209 685 P CA -0.154 62.967 63.100 0.035 0.000 0.776 685 P CB 0.844 32.560 31.700 0.027 0.000 0.876 686 T N 2.290 116.883 114.554 0.065 0.000 2.653 686 T HA -0.270 4.081 4.350 0.001 0.000 0.268 686 T C 1.866 176.611 174.700 0.074 0.000 1.035 686 T CA 2.530 64.697 62.100 0.111 0.000 1.154 686 T CB -0.794 68.152 68.868 0.131 0.000 0.862 686 T HN 0.567 nan 8.240 nan 0.000 0.441 687 A N 1.500 124.352 122.820 0.053 0.000 1.892 687 A HA -0.217 4.104 4.320 0.001 0.000 0.218 687 A C 2.270 179.874 177.584 0.033 0.000 1.188 687 A CA 1.988 54.049 52.037 0.041 0.000 0.631 687 A CB -0.512 18.507 19.000 0.032 0.000 0.822 687 A HN 0.505 nan 8.150 nan 0.000 0.447 688 K N -0.660 119.760 120.400 0.033 0.000 2.155 688 K HA 0.001 4.321 4.320 0.001 0.000 0.203 688 K C 1.849 178.462 176.600 0.022 0.000 1.052 688 K CA 1.113 57.419 56.287 0.033 0.000 0.948 688 K CB -0.224 32.300 32.500 0.039 0.000 0.728 688 K HN 0.344 nan 8.250 nan 0.000 0.448 689 V N 1.731 121.653 119.914 0.012 0.000 2.343 689 V HA -0.243 3.878 4.120 0.001 0.000 0.247 689 V C 2.131 178.200 176.094 -0.041 0.000 1.051 689 V CA 1.599 63.886 62.300 -0.022 0.000 1.036 689 V CB -0.366 31.430 31.823 -0.046 0.000 0.654 689 V HN 0.265 nan 8.190 nan 0.000 0.451 690 I N -0.335 120.213 120.570 -0.035 0.000 2.226 690 I HA -0.171 4.000 4.170 0.001 0.000 0.245 690 I C 2.669 178.812 176.117 0.042 0.000 1.100 690 I CA 1.178 62.475 61.300 -0.006 0.000 1.374 690 I CB -0.406 37.602 38.000 0.013 0.000 1.057 690 I HN 0.295 nan 8.210 nan 0.000 0.413 691 E N 0.691 120.906 120.200 0.025 0.000 2.058 691 E HA -0.277 4.073 4.350 0.001 0.000 0.194 691 E C 1.960 178.556 176.600 -0.008 0.000 0.997 691 E CA 1.310 57.717 56.400 0.012 0.000 0.801 691 E CB -0.346 29.358 29.700 0.006 0.000 0.746 691 E HN 0.529 nan 8.360 nan 0.000 0.450 692 E N 0.479 120.677 120.200 -0.004 0.000 2.038 692 E HA -0.169 4.181 4.350 0.001 0.000 0.195 692 E C 2.203 178.799 176.600 -0.007 0.000 1.000 692 E CA 2.049 58.439 56.400 -0.016 0.000 0.803 692 E CB 0.079 29.781 29.700 0.003 0.000 0.750 692 E HN 0.168 nan 8.360 nan 0.000 0.448 693 V N -1.289 118.654 119.914 0.048 0.000 2.490 693 V HA -0.169 3.951 4.120 0.001 0.000 0.250 693 V C 2.162 178.290 176.094 0.056 0.000 1.061 693 V CA 1.896 64.277 62.300 0.134 0.000 1.064 693 V CB -0.478 31.499 31.823 0.255 0.000 0.670 693 V HN 0.099 nan 8.190 nan 0.000 0.461 694 S N 0.723 116.462 115.700 0.064 0.000 2.368 694 S HA -0.182 4.288 4.470 0.001 0.000 0.225 694 S C 1.715 176.264 174.600 -0.084 0.000 1.030 694 S CA 1.727 59.917 58.200 -0.017 0.000 0.999 694 S CB -0.555 62.716 63.200 0.119 0.000 0.844 694 S HN 0.688 nan 8.310 nan 0.000 0.459 695 D N 1.409 121.771 120.400 -0.063 0.000 2.104 695 D HA -0.065 4.576 4.640 0.001 0.000 0.194 695 D C 1.918 178.193 176.300 -0.041 0.000 0.994 695 D CA 1.086 55.046 54.000 -0.067 0.000 0.830 695 D CB -0.323 40.394 40.800 -0.139 0.000 0.959 695 D HN 0.347 nan 8.370 nan 0.000 0.452 696 M N -0.666 118.868 119.600 -0.109 0.000 2.065 696 M HA -0.153 4.328 4.480 0.001 0.000 0.259 696 M C 1.885 178.035 176.300 -0.250 0.000 1.069 696 M CA 1.427 56.605 55.300 -0.203 0.000 1.110 696 M CB -0.273 32.112 32.600 -0.358 0.000 1.328 696 M HN -0.034 nan 8.290 nan 0.000 0.405 697 F N -0.507 119.336 119.950 -0.178 0.000 2.615 697 F HA 0.120 4.648 4.527 0.001 0.000 0.297 697 F C 2.400 178.171 175.800 -0.048 0.000 1.124 697 F CA 0.673 58.574 58.000 -0.164 0.000 1.451 697 F CB -0.688 38.029 39.000 -0.472 0.000 1.103 697 F HN 0.082 nan 8.300 nan 0.000 0.569 698 A N -0.238 122.616 122.820 0.057 0.000 1.930 698 A HA -0.175 4.145 4.320 0.001 0.000 0.217 698 A C 2.030 179.698 177.584 0.140 0.000 1.175 698 A CA 1.081 53.166 52.037 0.080 0.000 0.627 698 A CB -1.143 17.876 19.000 0.031 0.000 0.815 698 A HN 0.359 nan 8.150 nan 0.000 0.443 699 F N 0.648 120.623 119.950 0.041 0.000 2.102 699 F HA -0.131 4.397 4.527 0.001 0.000 0.298 699 F C 1.942 177.825 175.800 0.139 0.000 1.105 699 F CA 1.610 59.687 58.000 0.127 0.000 1.239 699 F CB -0.266 38.789 39.000 0.092 0.000 0.991 699 F HN 0.172 nan 8.300 nan 0.000 0.474 700 I N 0.071 120.731 120.570 0.149 0.000 2.179 700 I HA -0.320 3.851 4.170 0.001 0.000 0.242 700 I C 2.681 178.880 176.117 0.137 0.000 1.088 700 I CA 1.342 62.719 61.300 0.127 0.000 1.357 700 I CB -0.955 37.184 38.000 0.232 0.000 1.051 700 I HN 0.201 nan 8.210 nan 0.000 0.409 701 A N 0.534 123.467 122.820 0.189 0.000 1.908 701 A HA -0.205 4.115 4.320 0.001 0.000 0.218 701 A C 2.443 180.072 177.584 0.074 0.000 1.181 701 A CA 1.542 53.685 52.037 0.178 0.000 0.627 701 A CB -0.534 18.595 19.000 0.216 0.000 0.818 701 A HN 0.300 nan 8.150 nan 0.000 0.445 702 R N -1.099 119.400 120.500 -0.002 0.000 2.062 702 R HA -0.098 4.242 4.340 0.001 0.000 0.229 702 R C 2.245 178.517 176.300 -0.046 0.000 1.128 702 R CA 1.598 57.654 56.100 -0.073 0.000 0.960 702 R CB -0.633 29.530 30.300 -0.227 0.000 0.855 702 R HN 0.612 nan 8.270 nan 0.000 0.432 703 C N 0.445 119.686 119.300 -0.099 0.000 2.450 703 C HA 0.044 4.504 4.460 0.001 0.000 0.279 703 C C 2.250 177.232 174.990 -0.013 0.000 1.335 703 C CA 0.447 59.410 59.018 -0.093 0.000 1.749 703 C CB -0.615 26.936 27.740 -0.314 0.000 1.963 703 C HN 0.404 nan 8.230 nan 0.000 0.501 704 L N 0.180 121.416 121.223 0.022 0.000 2.640 704 L HA 0.192 4.532 4.340 0.001 0.000 0.230 704 L C 0.513 177.425 176.870 0.069 0.000 1.123 704 L CA 0.135 55.015 54.840 0.066 0.000 0.900 704 L CB -0.462 41.666 42.059 0.116 0.000 1.146 704 L HN 0.258 nan 8.230 nan 0.000 0.484 705 N N 1.638 120.373 118.700 0.058 0.000 2.727 705 N HA -0.185 4.555 4.740 0.001 0.000 0.251 705 N C -0.498 175.060 175.510 0.080 0.000 1.040 705 N CA 0.502 53.586 53.050 0.057 0.000 0.712 705 N CB -1.199 37.314 38.487 0.043 0.000 0.912 705 N HN 0.295 nan 8.380 nan 0.000 0.545 706 I N 0.458 121.095 120.570 0.112 0.000 2.342 706 I HA 0.135 4.305 4.170 0.001 0.000 0.291 706 I C 0.654 176.861 176.117 0.151 0.000 1.010 706 I CA -0.614 60.766 61.300 0.133 0.000 1.308 706 I CB 0.709 38.816 38.000 0.179 0.000 1.400 706 I HN 0.031 nan 8.210 nan 0.000 0.488 707 D N 5.881 126.357 120.400 0.128 0.000 2.382 707 D HA 0.002 4.642 4.640 0.001 0.000 0.245 707 D C -0.509 175.919 176.300 0.214 0.000 1.120 707 D CA -0.120 53.972 54.000 0.155 0.000 0.890 707 D CB 1.083 41.947 40.800 0.106 0.000 1.201 707 D HN 0.399 nan 8.370 nan 0.000 0.433 708 W N 3.815 125.153 121.300 0.063 0.000 2.253 708 W HA 0.251 4.911 4.660 0.001 0.000 0.322 708 W C -0.771 175.793 176.519 0.076 0.000 1.342 708 W CA -0.439 56.952 57.345 0.077 0.000 1.218 708 W CB 0.415 29.912 29.460 0.061 0.000 1.205 708 W HN 0.276 nan 8.180 nan 0.000 0.551 709 I N 9.655 129.981 120.570 -0.407 0.000 2.347 709 I HA 0.158 4.329 4.170 0.001 0.000 0.283 709 I C -1.600 174.325 176.117 -0.320 0.000 1.058 709 I CA -2.119 59.022 61.300 -0.265 0.000 1.202 709 I CB 0.844 38.721 38.000 -0.205 0.000 1.386 709 I HN 0.083 nan 8.210 nan 0.000 0.475 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.166 63.100 0.110 0.000 0.800 710 P CB 0.000 31.830 31.700 0.216 0.000 0.726