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 2wk5_1_B DATA FIRST_RESID 32 DATA SEQUENCE EPKQLPELIR MKRDGGRLSE ADIRGFVAAV VNGSAQGAQI GAMLMAIRLR DATA SEQUENCE GMDLEETSVL TQALAQSGQQ LEWPXXWRQQ LVDKHSTGGV GDKVSLVLAP DATA SEQUENCE ALAACGCKVP MISGRGLGHT GGTLDKLESI PGFNVIQSPE QMQVLLDQAG DATA SEQUENCE CCIVGQSEQL VPADGILYAA RDVTATVDSL PLITASILSK KLVEGLSALV DATA SEQUENCE VDVKFGGAAV FPNQEQAREL AKTLVGVGAS LGLRVAAALT AMDKPLGRCV DATA SEQUENCE GHALEVEEAL LCMDGAGPPD LRDLVTTLGG ALLWLSGHAG TQAQGAARVA DATA SEQUENCE AALDDGSALG RFERMLAAQG VDPGLARALC SGSPAERRQL LPRAREQEEL DATA SEQUENCE LAPADGTVEL VRALPLALVL HELGAGRSRA GEPLRLGVGA ELLVDVGQRL DATA SEQUENCE RRGTPWLRVH RDGPALSGPQ SRALQEALVL SDRAPFAAPS PFAELVLPPQ 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 32 E HA 0.000 nan 4.350 nan 0.000 0.291 32 E C 0.000 176.608 176.600 0.013 0.000 1.382 32 E CA 0.000 56.406 56.400 0.010 0.000 0.976 32 E CB 0.000 29.705 29.700 0.009 0.000 0.812 33 P HA 0.435 nan 4.420 nan 0.000 0.287 33 P C -0.556 176.758 177.300 0.022 0.000 1.270 33 P CA -0.643 62.469 63.100 0.021 0.000 0.844 33 P CB 1.905 33.620 31.700 0.025 0.000 1.068 34 K N 0.442 120.857 120.400 0.025 0.000 2.136 34 K HA 0.210 4.530 4.320 -0.000 0.000 0.237 34 K C 0.211 176.831 176.600 0.034 0.000 1.048 34 K CA -0.356 55.946 56.287 0.025 0.000 0.880 34 K CB 0.237 32.750 32.500 0.021 0.000 1.105 34 K HN 0.409 nan 8.250 nan 0.000 0.507 35 Q N 0.511 120.331 119.800 0.034 0.000 2.301 35 Q HA 0.214 4.554 4.340 -0.000 0.000 0.267 35 Q C 0.809 176.842 176.000 0.055 0.000 1.035 35 Q CA -0.155 55.674 55.803 0.043 0.000 0.856 35 Q CB 1.407 30.165 28.738 0.033 0.000 1.337 35 Q HN 0.541 nan 8.270 nan 0.000 0.450 36 L N 3.115 124.389 121.223 0.084 0.000 2.034 36 L HA -0.237 4.103 4.340 -0.000 0.000 0.217 36 L C -0.834 176.069 176.870 0.056 0.000 1.077 36 L CA 1.858 56.764 54.840 0.110 0.000 0.769 36 L CB -1.480 40.681 42.059 0.171 0.000 0.890 36 L HN 0.645 nan 8.230 nan 0.000 0.435 37 P HA -0.206 nan 4.420 nan 0.000 0.217 37 P C 1.509 178.814 177.300 0.009 0.000 1.151 37 P CA 1.382 64.497 63.100 0.025 0.000 0.849 37 P CB 0.029 31.744 31.700 0.024 0.000 0.787 38 E N -0.639 119.568 120.200 0.011 0.000 2.028 38 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 38 E C 2.078 178.669 176.600 -0.015 0.000 0.984 38 E CA 1.030 57.430 56.400 0.001 0.000 0.800 38 E CB -0.797 28.907 29.700 0.007 0.000 0.758 38 E HN 0.225 nan 8.360 nan 0.000 0.448 39 L N 0.749 121.961 121.223 -0.018 0.000 2.042 39 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 39 L C 2.626 179.437 176.870 -0.098 0.000 1.076 39 L CA 1.022 55.828 54.840 -0.056 0.000 0.749 39 L CB -0.580 41.444 42.059 -0.058 0.000 0.893 39 L HN 0.131 nan 8.230 nan 0.000 0.432 40 I N -0.417 120.099 120.570 -0.091 0.000 2.127 40 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 40 I C 2.916 178.995 176.117 -0.063 0.000 1.075 40 I CA 1.454 62.696 61.300 -0.097 0.000 1.334 40 I CB -0.446 37.524 38.000 -0.049 0.000 1.040 40 I HN 0.266 nan 8.210 nan 0.000 0.405 41 R N 0.859 121.336 120.500 -0.037 0.000 2.091 41 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 41 R C 2.425 178.707 176.300 -0.030 0.000 1.136 41 R CA 1.603 57.688 56.100 -0.026 0.000 0.959 41 R CB -0.138 30.154 30.300 -0.015 0.000 0.856 41 R HN 0.286 nan 8.270 nan 0.000 0.437 42 M N 0.499 120.078 119.600 -0.035 0.000 2.082 42 M HA -0.244 4.236 4.480 -0.000 0.000 0.258 42 M C 2.355 178.631 176.300 -0.039 0.000 1.071 42 M CA 1.743 57.023 55.300 -0.033 0.000 1.103 42 M CB -0.499 32.080 32.600 -0.036 0.000 1.307 42 M HN 0.021 nan 8.290 nan 0.000 0.409 43 K N 0.256 120.620 120.400 -0.059 0.000 2.097 43 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 43 K C 1.935 178.508 176.600 -0.044 0.000 1.049 43 K CA 1.285 57.536 56.287 -0.060 0.000 0.933 43 K CB -0.502 31.941 32.500 -0.096 0.000 0.717 43 K HN 0.311 nan 8.250 nan 0.000 0.442 44 R N 0.786 121.261 120.500 -0.042 0.000 2.091 44 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 44 R C 1.134 177.422 176.300 -0.020 0.000 1.136 44 R CA 1.944 58.027 56.100 -0.028 0.000 0.959 44 R CB -0.102 30.183 30.300 -0.024 0.000 0.856 44 R HN 0.088 nan 8.270 nan 0.000 0.437 45 D N -1.457 118.932 120.400 -0.019 0.000 2.269 45 D HA -0.004 4.636 4.640 -0.000 0.000 0.208 45 D C 1.107 177.398 176.300 -0.013 0.000 0.963 45 D CA 1.508 55.500 54.000 -0.014 0.000 0.864 45 D CB 0.307 41.099 40.800 -0.013 0.000 0.936 45 D HN 0.611 nan 8.370 nan 0.000 0.505 46 G N -0.618 108.172 108.800 -0.017 0.000 2.205 46 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.180 46 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.180 46 G C 0.696 175.586 174.900 -0.015 0.000 1.004 46 G CA -0.087 45.004 45.100 -0.015 0.000 0.670 46 G HN 0.578 nan 8.290 nan 0.000 0.496 47 G N -0.188 108.601 108.800 -0.018 0.000 2.606 47 G HA2 0.530 4.490 3.960 -0.000 0.000 0.252 47 G HA3 0.530 4.490 3.960 -0.000 0.000 0.252 47 G C 0.279 175.167 174.900 -0.020 0.000 1.206 47 G CA -0.340 44.750 45.100 -0.017 0.000 0.861 47 G HN 0.480 nan 8.290 nan 0.000 0.561 48 R N -0.864 119.627 120.500 -0.014 0.000 2.543 48 R HA 0.482 4.822 4.340 -0.000 0.000 0.268 48 R C -0.190 176.101 176.300 -0.016 0.000 1.067 48 R CA -0.464 55.628 56.100 -0.013 0.000 1.142 48 R CB 0.884 31.180 30.300 -0.006 0.000 1.110 48 R HN 0.299 nan 8.270 nan 0.000 0.549 49 L N 1.177 122.390 121.223 -0.016 0.000 2.346 49 L HA 0.337 4.677 4.340 -0.000 0.000 0.276 49 L C 0.355 177.225 176.870 -0.001 0.000 1.006 49 L CA -0.841 53.990 54.840 -0.015 0.000 0.817 49 L CB 1.913 43.954 42.059 -0.030 0.000 1.272 49 L HN 0.758 nan 8.230 nan 0.000 0.421 50 S N 0.597 116.300 115.700 0.004 0.000 2.584 50 S HA -0.001 4.469 4.470 -0.000 0.000 0.270 50 S C 0.896 175.507 174.600 0.017 0.000 1.346 50 S CA -0.358 57.848 58.200 0.010 0.000 1.018 50 S CB 1.170 64.377 63.200 0.010 0.000 0.899 50 S HN 0.805 nan 8.310 nan 0.000 0.542 51 E N 1.177 121.388 120.200 0.018 0.000 2.396 51 E HA -0.168 4.181 4.350 -0.000 0.000 0.200 51 E C 1.699 178.315 176.600 0.027 0.000 1.023 51 E CA 1.084 57.498 56.400 0.022 0.000 0.857 51 E CB -0.385 29.326 29.700 0.018 0.000 0.775 51 E HN 0.827 nan 8.360 nan 0.000 0.525 52 A N 0.586 123.421 122.820 0.024 0.000 2.030 52 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 52 A C 1.682 179.287 177.584 0.036 0.000 1.164 52 A CA 0.749 52.801 52.037 0.027 0.000 0.697 52 A CB 0.141 19.153 19.000 0.020 0.000 0.827 52 A HN 0.156 nan 8.150 nan 0.000 0.457 53 D N 0.337 120.758 120.400 0.035 0.000 2.144 53 D HA -0.049 4.591 4.640 -0.000 0.000 0.207 53 D C 2.011 178.356 176.300 0.074 0.000 0.970 53 D CA 0.824 54.850 54.000 0.043 0.000 0.853 53 D CB -0.221 40.590 40.800 0.018 0.000 1.007 53 D HN 0.274 nan 8.370 nan 0.000 0.469 54 I N 1.308 121.916 120.570 0.063 0.000 2.091 54 I HA -0.257 3.913 4.170 -0.000 0.000 0.239 54 I C 2.558 178.756 176.117 0.135 0.000 1.061 54 I CA 1.085 62.444 61.300 0.097 0.000 1.317 54 I CB -1.079 36.961 38.000 0.068 0.000 1.031 54 I HN 0.016 nan 8.210 nan 0.000 0.401 55 R N 0.892 121.443 120.500 0.086 0.000 2.139 55 R HA -0.162 4.177 4.340 -0.000 0.000 0.243 55 R C 2.373 178.719 176.300 0.076 0.000 1.145 55 R CA 1.641 57.782 56.100 0.069 0.000 0.976 55 R CB -0.467 29.860 30.300 0.044 0.000 0.866 55 R HN 0.477 nan 8.270 nan 0.000 0.449 56 G N 0.465 109.320 108.800 0.093 0.000 2.524 56 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.215 56 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.215 56 G C 1.122 176.103 174.900 0.135 0.000 1.239 56 G CA 0.704 45.861 45.100 0.095 0.000 0.798 56 G HN 0.348 nan 8.290 nan 0.000 0.557 57 F N 1.496 121.451 119.950 0.009 0.000 2.024 57 F HA -0.252 4.275 4.527 -0.000 0.000 0.296 57 F C 2.900 178.707 175.800 0.012 0.000 1.137 57 F CA 2.034 60.041 58.000 0.011 0.000 1.200 57 F CB -0.878 38.129 39.000 0.013 0.000 0.954 57 F HN 0.011 nan 8.300 nan 0.000 0.497 58 V N 0.685 120.616 119.914 0.028 0.000 2.250 58 V HA -0.432 3.688 4.120 -0.000 0.000 0.253 58 V C 2.729 178.753 176.094 -0.117 0.000 1.065 58 V CA 2.357 64.603 62.300 -0.090 0.000 1.039 58 V CB -1.870 29.966 31.823 0.022 0.000 0.647 58 V HN 0.603 nan 8.190 nan 0.000 0.446 59 A N -0.203 122.588 122.820 -0.047 0.000 1.917 59 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 59 A C 2.387 179.926 177.584 -0.074 0.000 1.182 59 A CA 2.629 54.641 52.037 -0.041 0.000 0.633 59 A CB -0.842 18.154 19.000 -0.007 0.000 0.819 59 A HN 0.688 nan 8.150 nan 0.000 0.448 60 A N -0.946 121.813 122.820 -0.102 0.000 1.968 60 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 60 A C 2.188 179.657 177.584 -0.191 0.000 1.169 60 A CA 1.478 53.444 52.037 -0.118 0.000 0.638 60 A CB -0.680 18.270 19.000 -0.083 0.000 0.812 60 A HN 0.373 nan 8.150 nan 0.000 0.446 61 V N -0.443 119.280 119.914 -0.317 0.000 2.307 61 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 61 V C 2.553 178.551 176.094 -0.159 0.000 1.045 61 V CA 2.002 64.118 62.300 -0.307 0.000 1.024 61 V CB -0.736 30.849 31.823 -0.398 0.000 0.651 61 V HN 0.364 nan 8.190 nan 0.000 0.449 62 V N 1.877 121.716 119.914 -0.125 0.000 2.307 62 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 62 V C 1.951 178.010 176.094 -0.059 0.000 1.045 62 V CA 2.275 64.530 62.300 -0.076 0.000 1.024 62 V CB -1.081 30.707 31.823 -0.058 0.000 0.651 62 V HN 0.913 nan 8.190 nan 0.000 0.449 63 N N 0.083 118.749 118.700 -0.057 0.000 2.501 63 N HA 0.113 4.853 4.740 -0.000 0.000 0.195 63 N C 1.392 176.879 175.510 -0.038 0.000 1.213 63 N CA 0.771 53.796 53.050 -0.041 0.000 0.864 63 N CB 0.420 38.887 38.487 -0.032 0.000 0.999 63 N HN 0.494 nan 8.380 nan 0.000 0.454 64 G N 0.887 109.658 108.800 -0.048 0.000 2.284 64 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.261 64 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.261 64 G C 1.170 176.049 174.900 -0.035 0.000 0.997 64 G CA 0.750 45.826 45.100 -0.039 0.000 0.621 64 G HN 0.620 nan 8.290 nan 0.000 0.534 65 S N 0.313 115.992 115.700 -0.035 0.000 2.400 65 S HA 0.339 4.809 4.470 -0.000 0.000 0.232 65 S C 1.542 176.129 174.600 -0.021 0.000 1.025 65 S CA 1.667 59.854 58.200 -0.022 0.000 0.993 65 S CB -0.240 62.950 63.200 -0.016 0.000 0.808 65 S HN 2.012 nan 8.310 nan 0.000 0.478 66 A N 1.920 124.709 122.820 -0.052 0.000 2.409 66 A HA 0.464 4.784 4.320 -0.000 0.000 0.267 66 A C 0.193 177.761 177.584 -0.027 0.000 1.127 66 A CA -0.596 51.412 52.037 -0.049 0.000 0.795 66 A CB 0.210 19.105 19.000 -0.174 0.000 1.061 66 A HN 0.561 nan 8.150 nan 0.000 0.502 67 Q N 1.508 121.315 119.800 0.011 0.000 2.214 67 Q HA 0.418 4.758 4.340 -0.000 0.000 0.251 67 Q C 1.522 177.540 176.000 0.030 0.000 0.936 67 Q CA -0.093 55.720 55.803 0.016 0.000 0.894 67 Q CB 1.383 30.134 28.738 0.023 0.000 1.252 67 Q HN 0.890 nan 8.270 nan 0.000 0.448 68 G N 1.508 110.323 108.800 0.025 0.000 2.719 68 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.219 68 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.219 68 G C 1.309 176.240 174.900 0.052 0.000 1.234 68 G CA 1.414 46.534 45.100 0.035 0.000 0.788 68 G HN 0.759 nan 8.290 nan 0.000 0.619 69 A N 0.106 122.953 122.820 0.046 0.000 1.903 69 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 69 A C 2.394 180.019 177.584 0.068 0.000 1.191 69 A CA 2.428 54.494 52.037 0.049 0.000 0.638 69 A CB -0.628 18.395 19.000 0.039 0.000 0.823 69 A HN 0.600 nan 8.150 nan 0.000 0.451 70 Q N -0.642 119.207 119.800 0.082 0.000 2.002 70 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 70 Q C 2.152 178.265 176.000 0.188 0.000 0.988 70 Q CA 1.712 57.588 55.803 0.122 0.000 0.843 70 Q CB -0.428 28.393 28.738 0.138 0.000 0.908 70 Q HN 0.754 nan 8.270 nan 0.000 0.420 71 I N 0.690 121.380 120.570 0.200 0.000 2.248 71 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 71 I C 2.287 178.516 176.117 0.187 0.000 1.107 71 I CA 1.267 62.722 61.300 0.259 0.000 1.373 71 I CB -0.576 37.492 38.000 0.113 0.000 1.055 71 I HN 0.310 nan 8.210 nan 0.000 0.418 72 G N 0.059 108.927 108.800 0.114 0.000 2.408 72 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.215 72 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.215 72 G C 1.850 176.788 174.900 0.063 0.000 1.156 72 G CA 0.669 45.816 45.100 0.079 0.000 0.793 72 G HN 0.473 nan 8.290 nan 0.000 0.535 73 A N 0.546 123.403 122.820 0.061 0.000 1.872 73 A HA 0.083 4.403 4.320 -0.000 0.000 0.214 73 A C 2.295 179.886 177.584 0.012 0.000 1.187 73 A CA 2.128 54.185 52.037 0.034 0.000 0.614 73 A CB -0.405 18.614 19.000 0.032 0.000 0.826 73 A HN 0.362 nan 8.150 nan 0.000 0.442 74 M N 0.025 119.631 119.600 0.011 0.000 2.065 74 M HA -0.100 4.380 4.480 -0.000 0.000 0.259 74 M C 1.910 178.177 176.300 -0.055 0.000 1.069 74 M CA 1.652 56.894 55.300 -0.098 0.000 1.110 74 M CB -0.717 31.719 32.600 -0.273 0.000 1.328 74 M HN 0.362 nan 8.290 nan 0.000 0.405 75 L N -0.723 120.519 121.223 0.032 0.000 2.043 75 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 75 L C 2.563 179.443 176.870 0.016 0.000 1.075 75 L CA 1.756 56.621 54.840 0.041 0.000 0.752 75 L CB -0.653 41.451 42.059 0.075 0.000 0.891 75 L HN 0.479 nan 8.230 nan 0.000 0.432 76 M N -0.195 119.415 119.600 0.016 0.000 2.159 76 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 76 M C 2.235 178.534 176.300 -0.001 0.000 1.063 76 M CA 2.013 57.320 55.300 0.011 0.000 1.110 76 M CB -0.603 32.006 32.600 0.014 0.000 1.374 76 M HN 0.173 nan 8.290 nan 0.000 0.411 77 A N 0.363 123.173 122.820 -0.017 0.000 1.908 77 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 77 A C 2.219 179.787 177.584 -0.027 0.000 1.181 77 A CA 2.087 54.106 52.037 -0.030 0.000 0.627 77 A CB -1.211 17.754 19.000 -0.057 0.000 0.818 77 A HN 0.618 nan 8.150 nan 0.000 0.445 78 I N -1.382 119.170 120.570 -0.030 0.000 2.454 78 I HA -0.207 3.963 4.170 -0.000 0.000 0.254 78 I C 2.757 178.877 176.117 0.006 0.000 1.156 78 I CA 0.803 62.093 61.300 -0.017 0.000 1.433 78 I CB -0.406 37.585 38.000 -0.014 0.000 1.082 78 I HN 0.289 nan 8.210 nan 0.000 0.432 79 R N 1.013 121.520 120.500 0.011 0.000 2.062 79 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 79 R C 2.145 178.459 176.300 0.024 0.000 1.136 79 R CA 1.351 57.465 56.100 0.024 0.000 0.948 79 R CB -0.356 29.958 30.300 0.023 0.000 0.845 79 R HN 0.366 nan 8.270 nan 0.000 0.430 80 L N 0.284 121.515 121.223 0.013 0.000 2.509 80 L HA 0.058 4.397 4.340 -0.000 0.000 0.222 80 L C 1.869 178.743 176.870 0.006 0.000 1.123 80 L CA 0.365 55.211 54.840 0.011 0.000 0.856 80 L CB -0.003 42.060 42.059 0.007 0.000 0.985 80 L HN -0.019 nan 8.230 nan 0.000 0.456 81 R N 0.134 120.636 120.500 0.003 0.000 2.342 81 R HA 0.338 4.678 4.340 -0.000 0.000 0.204 81 R C 0.870 177.172 176.300 0.002 0.000 0.882 81 R CA 0.659 56.758 56.100 -0.001 0.000 1.041 81 R CB -0.192 30.102 30.300 -0.010 0.000 1.188 81 R HN 0.198 nan 8.270 nan 0.000 0.598 82 G N 1.928 110.732 108.800 0.007 0.000 2.916 82 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.533 82 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.533 82 G C -0.357 174.547 174.900 0.006 0.000 1.516 82 G CA -0.058 45.051 45.100 0.015 0.000 0.944 82 G HN 0.097 nan 8.290 nan 0.000 0.555 83 M N 0.737 120.345 119.600 0.013 0.000 2.716 83 M HA 0.508 4.988 4.480 -0.000 0.000 0.307 83 M C -0.096 176.213 176.300 0.015 0.000 1.223 83 M CA -0.802 54.503 55.300 0.008 0.000 0.871 83 M CB 2.043 34.648 32.600 0.009 0.000 1.739 83 M HN 0.871 nan 8.290 nan 0.000 0.475 84 D N 0.046 120.453 120.400 0.012 0.000 2.437 84 D HA 0.333 4.973 4.640 -0.000 0.000 0.259 84 D C 0.653 176.963 176.300 0.018 0.000 1.118 84 D CA -0.644 53.364 54.000 0.014 0.000 1.017 84 D CB 0.699 41.505 40.800 0.009 0.000 1.120 84 D HN 0.586 nan 8.370 nan 0.000 0.541 85 L N -0.593 120.641 121.223 0.019 0.000 2.081 85 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 85 L C 2.367 179.248 176.870 0.019 0.000 1.080 85 L CA 1.426 56.278 54.840 0.020 0.000 0.754 85 L CB -0.488 41.582 42.059 0.019 0.000 0.893 85 L HN 0.561 nan 8.230 nan 0.000 0.433 86 E N 0.582 120.791 120.200 0.015 0.000 2.023 86 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 86 E C 1.998 178.608 176.600 0.016 0.000 1.003 86 E CA 1.733 58.141 56.400 0.014 0.000 0.809 86 E CB -0.028 29.678 29.700 0.011 0.000 0.755 86 E HN 0.585 nan 8.360 nan 0.000 0.449 87 E N -0.267 119.943 120.200 0.015 0.000 2.058 87 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 87 E C 2.199 178.813 176.600 0.024 0.000 0.997 87 E CA 1.563 57.972 56.400 0.017 0.000 0.801 87 E CB -0.380 29.326 29.700 0.010 0.000 0.746 87 E HN 0.196 nan 8.360 nan 0.000 0.450 88 T N 0.999 115.568 114.554 0.025 0.000 2.624 88 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 88 T C 2.122 176.840 174.700 0.031 0.000 1.041 88 T CA 1.805 63.924 62.100 0.031 0.000 1.159 88 T CB -0.389 68.499 68.868 0.033 0.000 0.863 88 T HN 0.173 nan 8.240 nan 0.000 0.434 89 S N 0.162 115.878 115.700 0.027 0.000 2.368 89 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 89 S C 2.143 176.759 174.600 0.027 0.000 1.030 89 S CA 1.340 59.555 58.200 0.026 0.000 0.999 89 S CB -0.570 62.643 63.200 0.021 0.000 0.844 89 S HN 0.310 nan 8.310 nan 0.000 0.459 90 V N 2.559 122.489 119.914 0.027 0.000 2.214 90 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 90 V C 2.441 178.558 176.094 0.038 0.000 1.051 90 V CA 2.225 64.543 62.300 0.030 0.000 1.003 90 V CB -1.004 30.837 31.823 0.030 0.000 0.635 90 V HN 0.537 nan 8.190 nan 0.000 0.447 91 L N -0.181 121.069 121.223 0.045 0.000 1.976 91 L HA -0.330 4.010 4.340 -0.000 0.000 0.223 91 L C 2.782 179.683 176.870 0.053 0.000 1.081 91 L CA 2.767 57.643 54.840 0.060 0.000 0.784 91 L CB -0.717 41.381 42.059 0.064 0.000 0.896 91 L HN 0.551 nan 8.230 nan 0.000 0.438 92 T N -1.326 113.255 114.554 0.045 0.000 2.714 92 T HA -0.344 4.006 4.350 -0.000 0.000 0.268 92 T C 1.701 176.420 174.700 0.031 0.000 1.036 92 T CA 2.283 64.406 62.100 0.038 0.000 1.148 92 T CB -0.106 68.782 68.868 0.032 0.000 0.856 92 T HN 0.498 nan 8.240 nan 0.000 0.462 93 Q N -0.440 119.378 119.800 0.030 0.000 1.984 93 Q HA 0.061 4.401 4.340 -0.000 0.000 0.196 93 Q C 2.642 178.656 176.000 0.024 0.000 0.975 93 Q CA 1.232 57.050 55.803 0.024 0.000 0.827 93 Q CB -0.519 28.233 28.738 0.023 0.000 0.894 93 Q HN 0.562 nan 8.270 nan 0.000 0.438 94 A N 1.285 124.123 122.820 0.029 0.000 1.915 94 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 94 A C 2.106 179.704 177.584 0.024 0.000 1.198 94 A CA 1.892 53.947 52.037 0.029 0.000 0.647 94 A CB -1.162 17.863 19.000 0.042 0.000 0.825 94 A HN 0.512 nan 8.150 nan 0.000 0.456 95 L N -1.142 120.100 121.223 0.031 0.000 2.042 95 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 95 L C 3.091 179.969 176.870 0.012 0.000 1.076 95 L CA 1.203 56.058 54.840 0.024 0.000 0.749 95 L CB -0.659 41.422 42.059 0.037 0.000 0.893 95 L HN 0.470 nan 8.230 nan 0.000 0.432 96 A N -0.478 122.350 122.820 0.013 0.000 2.024 96 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 96 A C 2.110 179.695 177.584 0.001 0.000 1.164 96 A CA 1.500 53.541 52.037 0.006 0.000 0.643 96 A CB -0.372 18.634 19.000 0.010 0.000 0.806 96 A HN 0.556 nan 8.150 nan 0.000 0.451 97 Q N -0.437 119.365 119.800 0.003 0.000 2.360 97 Q HA 0.066 4.405 4.340 -0.000 0.000 0.202 97 Q C 1.916 177.911 176.000 -0.007 0.000 0.915 97 Q CA 0.576 56.377 55.803 -0.002 0.000 0.943 97 Q CB 0.157 28.896 28.738 0.002 0.000 1.064 97 Q HN 0.624 nan 8.270 nan 0.000 0.511 98 S N 0.473 116.168 115.700 -0.007 0.000 2.370 98 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 98 S C 1.115 175.704 174.600 -0.019 0.000 1.033 98 S CA 1.199 59.390 58.200 -0.015 0.000 1.011 98 S CB -0.165 63.026 63.200 -0.016 0.000 0.852 98 S HN 0.602 nan 8.310 nan 0.000 0.457 99 G N -0.263 108.526 108.800 -0.019 0.000 3.175 99 G HA2 0.554 4.514 3.960 -0.000 0.000 0.153 99 G HA3 0.554 4.514 3.960 -0.000 0.000 0.153 99 G C -0.663 174.220 174.900 -0.029 0.000 1.216 99 G CA -0.515 44.571 45.100 -0.024 0.000 0.943 99 G HN 0.251 nan 8.290 nan 0.000 0.611 100 Q N -0.952 118.826 119.800 -0.037 0.000 2.199 100 Q HA 0.512 4.852 4.340 -0.000 0.000 0.232 100 Q C -0.802 175.165 176.000 -0.054 0.000 0.969 100 Q CA -0.463 55.310 55.803 -0.050 0.000 0.925 100 Q CB 1.539 30.238 28.738 -0.066 0.000 1.198 100 Q HN 0.389 nan 8.270 nan 0.000 0.494 101 Q N 0.952 120.710 119.800 -0.070 0.000 2.282 101 Q HA 0.406 4.745 4.340 -0.000 0.000 0.260 101 Q C -1.722 174.192 176.000 -0.144 0.000 0.964 101 Q CA -0.319 55.439 55.803 -0.075 0.000 0.880 101 Q CB 1.190 29.895 28.738 -0.055 0.000 1.286 101 Q HN 0.573 nan 8.270 nan 0.000 0.445 102 L N 3.163 124.288 121.223 -0.164 0.000 2.313 102 L HA 0.331 4.671 4.340 -0.000 0.000 0.282 102 L C 0.172 176.779 176.870 -0.439 0.000 1.092 102 L CA 0.108 54.709 54.840 -0.398 0.000 0.831 102 L CB 0.802 42.674 42.059 -0.313 0.000 1.159 102 L HN 0.592 nan 8.230 nan 0.000 0.442 103 E N 4.065 123.927 120.200 -0.562 0.000 2.141 103 E HA 0.222 4.572 4.350 -0.000 0.000 0.259 103 E C -1.712 174.674 176.600 -0.357 0.000 0.883 103 E CA -0.505 55.696 56.400 -0.331 0.000 0.744 103 E CB 0.918 30.494 29.700 -0.206 0.000 1.150 103 E HN 0.400 nan 8.360 nan 0.000 0.420 104 W N 3.525 124.841 121.300 0.026 0.000 2.627 104 W HA 0.391 5.051 4.660 -0.000 0.000 0.339 104 W C -1.547 174.952 176.519 -0.033 0.000 1.058 104 W CA -1.615 55.753 57.345 0.038 0.000 1.223 104 W CB 0.133 29.732 29.460 0.231 0.000 1.389 104 W HN 0.461 nan 8.180 nan 0.000 0.541 109 R N 0.053 120.699 120.500 0.244 0.000 2.161 109 R HA 0.086 4.426 4.340 -0.000 0.000 0.213 109 R C 1.368 177.715 176.300 0.078 0.000 1.055 109 R CA 1.763 57.956 56.100 0.156 0.000 0.996 109 R CB -0.812 29.590 30.300 0.171 0.000 0.901 109 R HN 0.098 nan 8.270 nan 0.000 0.456 110 Q N 0.487 120.332 119.800 0.076 0.000 2.466 110 Q HA 0.017 4.357 4.340 -0.000 0.000 0.210 110 Q C 1.310 177.375 176.000 0.107 0.000 0.961 110 Q CA 1.389 57.226 55.803 0.056 0.000 0.953 110 Q CB 0.154 28.910 28.738 0.030 0.000 1.011 110 Q HN 0.829 nan 8.270 nan 0.000 0.516 111 Q N -1.396 118.427 119.800 0.038 0.000 2.477 111 Q HA 0.239 4.579 4.340 -0.000 0.000 0.252 111 Q C -0.072 175.859 176.000 -0.114 0.000 0.869 111 Q CA -0.195 55.595 55.803 -0.023 0.000 0.969 111 Q CB 0.413 29.038 28.738 -0.188 0.000 1.144 111 Q HN 0.199 nan 8.270 nan 0.000 0.577 112 L N 3.624 124.753 121.223 -0.156 0.000 2.921 112 L HA -0.022 4.318 4.340 -0.000 0.000 0.299 112 L C 0.030 176.844 176.870 -0.093 0.000 1.120 112 L CA -0.212 54.512 54.840 -0.193 0.000 1.158 112 L CB -1.030 40.890 42.059 -0.230 0.000 1.518 112 L HN 0.013 nan 8.230 nan 0.000 0.433 113 V N -1.182 118.678 119.914 -0.090 0.000 3.166 113 V HA 0.907 5.027 4.120 -0.000 0.000 0.317 113 V C -0.650 175.427 176.094 -0.030 0.000 1.136 113 V CA -0.683 61.596 62.300 -0.036 0.000 1.035 113 V CB 2.424 34.237 31.823 -0.018 0.000 1.110 113 V HN 0.495 nan 8.190 nan 0.000 0.450 114 D N -0.345 120.058 120.400 0.006 0.000 2.766 114 D HA 0.455 5.095 4.640 -0.000 0.000 0.244 114 D C -1.520 174.814 176.300 0.058 0.000 1.198 114 D CA -0.352 53.665 54.000 0.028 0.000 0.739 114 D CB 2.068 42.890 40.800 0.036 0.000 1.379 114 D HN 1.147 nan 8.370 nan 0.000 0.437 115 K N 0.682 121.129 120.400 0.077 0.000 2.385 115 K HA 0.791 5.111 4.320 -0.000 0.000 0.248 115 K C -1.697 174.994 176.600 0.152 0.000 0.955 115 K CA -0.607 55.739 56.287 0.098 0.000 0.816 115 K CB 1.818 34.359 32.500 0.067 0.000 1.250 115 K HN 0.379 nan 8.250 nan 0.000 0.434 116 H N -0.044 119.050 119.070 0.040 0.000 2.840 116 H HA 0.394 4.950 4.556 -0.000 0.000 0.340 116 H C -1.213 174.140 175.328 0.043 0.000 1.004 116 H CA -0.302 55.770 56.048 0.041 0.000 1.288 116 H CB 1.832 31.620 29.762 0.043 0.000 1.607 116 H HN 0.811 nan 8.280 nan 0.000 0.522 117 S N 1.737 117.277 115.700 -0.267 0.000 2.624 117 S HA 0.162 4.632 4.470 -0.000 0.000 0.263 117 S C 1.160 175.708 174.600 -0.086 0.000 1.287 117 S CA 0.307 58.428 58.200 -0.130 0.000 0.990 117 S CB 0.631 63.751 63.200 -0.134 0.000 0.950 117 S HN 0.834 nan 8.310 nan 0.000 0.561 118 T N -0.354 114.183 114.554 -0.029 0.000 3.000 118 T HA 0.522 4.872 4.350 -0.000 0.000 0.248 118 T C 1.020 175.685 174.700 -0.059 0.000 1.034 118 T CA 0.473 62.563 62.100 -0.016 0.000 1.060 118 T CB 0.126 68.988 68.868 -0.009 0.000 0.983 118 T HN 0.882 nan 8.240 nan 0.000 0.482 119 G N 0.421 109.179 108.800 -0.069 0.000 3.403 119 G HA2 0.501 4.461 3.960 -0.000 0.000 0.156 119 G HA3 0.501 4.461 3.960 -0.000 0.000 0.156 119 G C 0.329 175.176 174.900 -0.088 0.000 1.210 119 G CA 0.202 45.242 45.100 -0.100 0.000 1.452 119 G HN 1.188 nan 8.290 nan 0.000 0.720 120 G N -1.595 107.163 108.800 -0.071 0.000 2.856 120 G HA2 0.253 4.213 3.960 -0.000 0.000 0.674 120 G HA3 0.253 4.213 3.960 -0.000 0.000 0.674 120 G C -0.577 174.298 174.900 -0.041 0.000 1.519 120 G CA -0.110 44.961 45.100 -0.049 0.000 0.940 120 G HN 1.494 nan 8.290 nan 0.000 0.564 121 V N 1.619 121.523 119.914 -0.016 0.000 2.376 121 V HA 0.691 4.810 4.120 -0.000 0.000 0.287 121 V C 1.246 177.325 176.094 -0.024 0.000 1.015 121 V CA 0.903 63.201 62.300 -0.004 0.000 0.834 121 V CB 0.642 32.486 31.823 0.035 0.000 1.001 121 V HN 2.828 nan 8.190 nan 0.000 0.428 122 G N 3.949 112.722 108.800 -0.045 0.000 2.160 122 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 122 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 122 G C 0.109 174.979 174.900 -0.050 0.000 1.022 122 G CA 0.219 45.288 45.100 -0.053 0.000 0.741 122 G HN 0.799 nan 8.290 nan 0.000 0.508 123 D N 0.943 121.311 120.400 -0.052 0.000 2.934 123 D HA 0.157 4.797 4.640 -0.000 0.000 0.237 123 D C 1.838 178.106 176.300 -0.053 0.000 1.158 123 D CA 0.020 53.991 54.000 -0.049 0.000 0.971 123 D CB -0.010 40.758 40.800 -0.053 0.000 1.123 123 D HN 0.488 nan 8.370 nan 0.000 0.467 124 K N 0.807 121.174 120.400 -0.055 0.000 2.665 124 K HA 0.021 4.341 4.320 -0.000 0.000 0.214 124 K C 0.912 177.478 176.600 -0.056 0.000 1.032 124 K CA -0.113 56.139 56.287 -0.059 0.000 1.198 124 K CB -0.394 32.065 32.500 -0.069 0.000 0.941 124 K HN 0.081 nan 8.250 nan 0.000 0.491 125 V N 1.148 121.035 119.914 -0.045 0.000 2.332 125 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 125 V C 2.112 178.185 176.094 -0.035 0.000 1.055 125 V CA 2.169 64.447 62.300 -0.036 0.000 1.038 125 V CB -0.531 31.281 31.823 -0.019 0.000 0.651 125 V HN 0.480 nan 8.190 nan 0.000 0.450 126 S N -0.008 115.672 115.700 -0.033 0.000 2.370 126 S HA -0.150 4.319 4.470 -0.000 0.000 0.226 126 S C 1.903 176.498 174.600 -0.008 0.000 1.033 126 S CA 1.462 59.651 58.200 -0.018 0.000 1.011 126 S CB -0.419 62.766 63.200 -0.026 0.000 0.852 126 S HN 0.477 nan 8.310 nan 0.000 0.457 127 L N 0.891 122.097 121.223 -0.028 0.000 2.127 127 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 127 L C 2.098 178.920 176.870 -0.080 0.000 1.089 127 L CA 0.945 55.769 54.840 -0.028 0.000 0.757 127 L CB -0.499 41.517 42.059 -0.072 0.000 0.899 127 L HN 0.258 nan 8.230 nan 0.000 0.434 128 V N -1.130 118.725 119.914 -0.098 0.000 2.581 128 V HA -0.137 3.983 4.120 -0.000 0.000 0.240 128 V C 2.193 178.255 176.094 -0.054 0.000 1.054 128 V CA 0.559 62.786 62.300 -0.120 0.000 1.076 128 V CB 0.038 31.788 31.823 -0.121 0.000 0.748 128 V HN 0.264 nan 8.190 nan 0.000 0.474 129 L N 0.441 121.644 121.223 -0.032 0.000 2.043 129 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 129 L C 2.670 179.540 176.870 -0.001 0.000 1.075 129 L CA 1.998 56.828 54.840 -0.016 0.000 0.752 129 L CB -0.506 41.549 42.059 -0.007 0.000 0.891 129 L HN 0.427 nan 8.230 nan 0.000 0.432 130 A N 0.332 123.164 122.820 0.021 0.000 1.858 130 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 130 A C -0.166 177.443 177.584 0.041 0.000 1.190 130 A CA 1.724 53.782 52.037 0.036 0.000 0.617 130 A CB -1.832 17.211 19.000 0.071 0.000 0.827 130 A HN 0.332 nan 8.150 nan 0.000 0.443 131 P HA -0.071 nan 4.420 nan 0.000 0.218 131 P C 1.664 178.983 177.300 0.032 0.000 1.149 131 P CA 1.769 64.931 63.100 0.103 0.000 0.817 131 P CB -0.051 31.769 31.700 0.199 0.000 0.785 132 A N -0.433 122.388 122.820 0.001 0.000 1.832 132 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 132 A C 2.196 179.757 177.584 -0.038 0.000 1.200 132 A CA 1.316 53.339 52.037 -0.022 0.000 0.610 132 A CB -1.631 17.350 19.000 -0.032 0.000 0.842 132 A HN 0.054 nan 8.150 nan 0.000 0.444 133 L N -0.462 120.735 121.223 -0.043 0.000 2.021 133 L HA -0.289 4.050 4.340 -0.000 0.000 0.215 133 L C 3.011 179.822 176.870 -0.098 0.000 1.074 133 L CA 1.402 56.200 54.840 -0.070 0.000 0.760 133 L CB -0.480 41.541 42.059 -0.063 0.000 0.889 133 L HN 0.468 nan 8.230 nan 0.000 0.433 134 A N -0.682 122.089 122.820 -0.082 0.000 2.067 134 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 134 A C 2.412 179.942 177.584 -0.090 0.000 1.158 134 A CA 1.507 53.482 52.037 -0.104 0.000 0.661 134 A CB -0.513 18.442 19.000 -0.075 0.000 0.801 134 A HN 0.444 nan 8.150 nan 0.000 0.452 135 A N -1.385 121.399 122.820 -0.061 0.000 1.935 135 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 135 A C 1.784 179.327 177.584 -0.068 0.000 1.178 135 A CA 1.229 53.237 52.037 -0.048 0.000 0.640 135 A CB -0.890 18.094 19.000 -0.025 0.000 0.825 135 A HN 0.539 nan 8.150 nan 0.000 0.447 136 C N 0.355 119.605 119.300 -0.083 0.000 2.460 136 C HA 0.416 4.876 4.460 -0.000 0.000 0.322 136 C C 1.759 176.657 174.990 -0.153 0.000 1.333 136 C CA 0.187 59.145 59.018 -0.099 0.000 1.631 136 C CB -1.906 25.776 27.740 -0.095 0.000 1.672 136 C HN 1.020 nan 8.230 nan 0.000 0.596 137 G N -0.059 108.649 108.800 -0.154 0.000 2.198 137 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.257 137 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.257 137 G C -0.015 174.709 174.900 -0.293 0.000 1.042 137 G CA 0.101 45.084 45.100 -0.196 0.000 0.791 137 G HN 0.567 nan 8.290 nan 0.000 0.502 138 C N -0.801 118.335 119.300 -0.273 0.000 2.486 138 C HA 0.817 5.277 4.460 -0.000 0.000 0.348 138 C C 0.402 175.220 174.990 -0.286 0.000 1.203 138 C CA -0.892 57.948 59.018 -0.298 0.000 1.911 138 C CB 1.914 29.506 27.740 -0.246 0.000 2.340 138 C HN 0.466 nan 8.230 nan 0.000 0.511 139 K N 1.399 121.609 120.400 -0.317 0.000 2.367 139 K HA 0.615 4.934 4.320 -0.000 0.000 0.263 139 K C -1.290 175.135 176.600 -0.291 0.000 1.000 139 K CA -0.072 55.983 56.287 -0.387 0.000 0.891 139 K CB 0.863 33.020 32.500 -0.572 0.000 1.117 139 K HN 0.435 nan 8.250 nan 0.000 0.443 140 V N 6.617 126.398 119.914 -0.221 0.000 2.304 140 V HA 0.392 4.512 4.120 -0.000 0.000 0.278 140 V C -2.160 173.876 176.094 -0.097 0.000 1.018 140 V CA -1.392 60.828 62.300 -0.133 0.000 0.814 140 V CB 1.416 33.200 31.823 -0.066 0.000 1.021 140 V HN 0.678 nan 8.190 nan 0.000 0.440 141 P HA 0.262 nan 4.420 nan 0.000 0.202 141 P C -0.033 177.317 177.300 0.083 0.000 1.869 141 P CA -0.380 62.730 63.100 0.017 0.000 1.017 141 P CB 0.609 32.330 31.700 0.036 0.000 1.848 142 M N 2.331 121.976 119.600 0.075 0.000 2.248 142 M HA 0.124 4.604 4.480 -0.000 0.000 0.345 142 M C -0.346 176.020 176.300 0.110 0.000 1.243 142 M CA 0.555 55.915 55.300 0.100 0.000 1.090 142 M CB 0.331 32.991 32.600 0.101 0.000 1.683 142 M HN 0.013 nan 8.290 nan 0.000 0.450 143 I N 4.292 124.926 120.570 0.108 0.000 2.555 143 I HA 0.225 4.395 4.170 -0.000 0.000 0.275 143 I C 0.041 176.222 176.117 0.107 0.000 1.082 143 I CA -0.043 61.302 61.300 0.076 0.000 1.167 143 I CB 0.123 38.143 38.000 0.034 0.000 1.312 143 I HN 0.644 nan 8.210 nan 0.000 0.493 144 S N 2.999 118.768 115.700 0.115 0.000 2.546 144 S HA 0.837 5.306 4.470 -0.000 0.000 0.265 144 S C 0.523 175.127 174.600 0.006 0.000 1.190 144 S CA -0.331 57.953 58.200 0.140 0.000 1.014 144 S CB 1.470 64.710 63.200 0.067 0.000 1.087 144 S HN 0.722 nan 8.310 nan 0.000 0.525 145 G N -0.655 108.123 108.800 -0.036 0.000 2.684 145 G HA2 0.576 4.536 3.960 -0.000 0.000 0.290 145 G HA3 0.576 4.536 3.960 -0.000 0.000 0.290 145 G C -1.292 173.608 174.900 -0.001 0.000 1.425 145 G CA -0.890 44.071 45.100 -0.231 0.000 0.822 145 G HN 0.491 nan 8.290 nan 0.000 0.482 146 R N -0.759 119.784 120.500 0.071 0.000 2.571 146 R HA 0.541 4.881 4.340 -0.000 0.000 0.259 146 R C 1.035 177.489 176.300 0.256 0.000 1.226 146 R CA -0.063 56.130 56.100 0.154 0.000 1.157 146 R CB 0.239 30.616 30.300 0.128 0.000 1.220 146 R HN 0.634 nan 8.270 nan 0.000 0.605 147 G N 0.437 109.341 108.800 0.173 0.000 2.391 147 G HA2 0.190 4.150 3.960 -0.000 0.000 0.234 147 G HA3 0.190 4.150 3.960 -0.000 0.000 0.234 147 G C -0.942 174.022 174.900 0.106 0.000 1.284 147 G CA -0.230 44.946 45.100 0.126 0.000 0.873 147 G HN 0.182 nan 8.290 nan 0.000 0.549 148 L N 2.939 124.164 121.223 0.003 0.000 2.318 148 L HA 0.595 4.935 4.340 -0.000 0.000 0.277 148 L C 1.016 177.825 176.870 -0.103 0.000 1.008 148 L CA 1.291 56.049 54.840 -0.137 0.000 0.846 148 L CB 0.850 42.728 42.059 -0.300 0.000 1.220 148 L HN 1.227 nan 8.230 nan 0.000 0.423 149 G N 3.611 112.398 108.800 -0.022 0.000 2.675 149 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.312 149 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.312 149 G C 0.771 175.765 174.900 0.157 0.000 1.186 149 G CA 0.645 45.771 45.100 0.043 0.000 0.965 149 G HN 1.067 nan 8.290 nan 0.000 0.548 150 H N 1.020 120.127 119.070 0.061 0.000 2.893 150 H HA 0.359 4.915 4.556 -0.000 0.000 0.270 150 H C 0.916 176.302 175.328 0.096 0.000 1.095 150 H CA 1.249 57.365 56.048 0.114 0.000 1.186 150 H CB -0.235 29.512 29.762 -0.025 0.000 1.562 150 H HN 0.892 nan 8.280 nan 0.000 0.536 151 T N -0.195 114.122 114.554 -0.395 0.000 2.910 151 T HA 0.460 4.810 4.350 -0.000 0.000 0.323 151 T C 0.883 175.527 174.700 -0.094 0.000 1.091 151 T CA -0.188 61.742 62.100 -0.282 0.000 0.960 151 T CB 0.563 69.224 68.868 -0.344 0.000 1.024 151 T HN 0.416 nan 8.240 nan 0.000 0.509 152 G N 2.223 110.995 108.800 -0.048 0.000 2.497 152 G HA2 0.368 4.328 3.960 -0.000 0.000 0.228 152 G HA3 0.368 4.328 3.960 -0.000 0.000 0.228 152 G C 0.440 175.346 174.900 0.010 0.000 1.190 152 G CA -0.336 44.748 45.100 -0.027 0.000 0.857 152 G HN 1.137 nan 8.290 nan 0.000 0.526 153 G N 0.108 108.952 108.800 0.074 0.000 2.370 153 G HA2 0.470 4.430 3.960 -0.000 0.000 0.317 153 G HA3 0.470 4.430 3.960 -0.000 0.000 0.317 153 G C 1.063 175.998 174.900 0.059 0.000 1.162 153 G CA 0.481 45.630 45.100 0.083 0.000 0.922 153 G HN 1.101 nan 8.290 nan 0.000 0.454 154 T N 1.291 115.854 114.554 0.016 0.000 2.996 154 T HA -0.123 4.227 4.350 -0.000 0.000 0.271 154 T C 1.968 176.661 174.700 -0.011 0.000 1.126 154 T CA 0.764 62.861 62.100 -0.006 0.000 1.103 154 T CB -0.142 68.710 68.868 -0.027 0.000 0.870 154 T HN 0.282 nan 8.240 nan 0.000 0.528 155 L N 0.345 121.575 121.223 0.010 0.000 2.127 155 L HA 0.057 4.397 4.340 -0.000 0.000 0.203 155 L C 2.607 179.468 176.870 -0.014 0.000 1.080 155 L CA 1.136 55.975 54.840 -0.002 0.000 0.768 155 L CB -0.313 41.757 42.059 0.019 0.000 0.924 155 L HN 0.186 nan 8.230 nan 0.000 0.444 156 D N 0.479 120.891 120.400 0.021 0.000 2.144 156 D HA -0.166 4.474 4.640 -0.000 0.000 0.200 156 D C 2.051 178.352 176.300 0.002 0.000 0.978 156 D CA 1.088 55.070 54.000 -0.030 0.000 0.833 156 D CB 0.000 40.785 40.800 -0.025 0.000 0.961 156 D HN 0.280 nan 8.370 nan 0.000 0.470 157 K N 0.453 120.922 120.400 0.115 0.000 2.103 157 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 157 K C 2.290 178.858 176.600 -0.054 0.000 1.048 157 K CA 0.647 56.990 56.287 0.095 0.000 0.930 157 K CB -0.099 32.423 32.500 0.037 0.000 0.716 157 K HN 0.155 nan 8.250 nan 0.000 0.444 158 L N 0.982 122.104 121.223 -0.168 0.000 2.217 158 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 158 L C 1.578 178.241 176.870 -0.346 0.000 1.107 158 L CA 0.908 55.503 54.840 -0.408 0.000 0.783 158 L CB -0.194 41.393 42.059 -0.787 0.000 0.919 158 L HN 0.205 nan 8.230 nan 0.000 0.442 159 E N -0.361 119.742 120.200 -0.162 0.000 2.505 159 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 159 E C 1.755 178.326 176.600 -0.047 0.000 1.111 159 E CA 0.144 56.513 56.400 -0.052 0.000 0.887 159 E CB 0.097 29.777 29.700 -0.033 0.000 0.913 159 E HN 0.392 nan 8.360 nan 0.000 0.517 160 S N 0.539 116.202 115.700 -0.061 0.000 2.425 160 S HA 0.044 4.513 4.470 -0.000 0.000 0.225 160 S C 1.011 175.608 174.600 -0.006 0.000 1.024 160 S CA 0.296 58.480 58.200 -0.028 0.000 0.951 160 S CB 0.209 63.403 63.200 -0.011 0.000 0.796 160 S HN 0.204 nan 8.310 nan 0.000 0.498 161 I N 4.645 125.212 120.570 -0.006 0.000 2.379 161 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 161 I C -2.304 173.858 176.117 0.074 0.000 1.063 161 I CA -2.283 59.041 61.300 0.039 0.000 1.351 161 I CB 0.725 38.758 38.000 0.056 0.000 1.410 161 I HN -0.022 nan 8.210 nan 0.000 0.505 162 P HA 0.053 nan 4.420 nan 0.000 0.267 162 P C 0.755 178.095 177.300 0.066 0.000 1.205 162 P CA 0.579 63.710 63.100 0.051 0.000 0.765 162 P CB 1.169 32.888 31.700 0.031 0.000 0.828 163 G N 2.925 111.764 108.800 0.066 0.000 2.258 163 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.233 163 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.233 163 G C -0.045 174.890 174.900 0.059 0.000 1.006 163 G CA -0.264 44.863 45.100 0.045 0.000 0.620 163 G HN 0.536 nan 8.290 nan 0.000 0.511 164 F N 2.602 122.536 119.950 -0.026 0.000 2.563 164 F HA 0.529 5.056 4.527 -0.000 0.000 0.363 164 F C 0.395 176.181 175.800 -0.023 0.000 1.123 164 F CA 0.091 58.072 58.000 -0.031 0.000 1.307 164 F CB 0.621 39.604 39.000 -0.028 0.000 1.115 164 F HN 0.139 nan 8.300 nan 0.000 0.592 165 N N 4.392 122.828 118.700 -0.440 0.000 2.399 165 N HA 0.256 4.996 4.740 -0.000 0.000 0.284 165 N C 0.076 175.487 175.510 -0.166 0.000 1.025 165 N CA -0.346 52.596 53.050 -0.179 0.000 0.885 165 N CB 1.959 40.333 38.487 -0.188 0.000 1.339 165 N HN 0.554 nan 8.380 nan 0.000 0.487 166 V N 0.981 120.958 119.914 0.104 0.000 3.647 166 V HA 0.430 4.550 4.120 -0.000 0.000 0.279 166 V C 0.381 176.509 176.094 0.057 0.000 1.314 166 V CA 0.280 62.677 62.300 0.161 0.000 1.125 166 V CB -0.378 31.572 31.823 0.210 0.000 0.907 166 V HN 0.389 nan 8.190 nan 0.000 0.434 167 I N 2.616 123.192 120.570 0.010 0.000 2.330 167 I HA 0.546 4.716 4.170 -0.000 0.000 0.286 167 I C -0.256 175.848 176.117 -0.022 0.000 1.025 167 I CA 0.032 61.330 61.300 -0.002 0.000 1.197 167 I CB 1.215 39.212 38.000 -0.005 0.000 1.358 167 I HN 0.247 nan 8.210 nan 0.000 0.467 168 Q N 4.147 123.940 119.800 -0.012 0.000 2.347 168 Q HA 0.504 4.844 4.340 -0.000 0.000 0.271 168 Q C -0.327 175.671 176.000 -0.004 0.000 1.064 168 Q CA -0.658 55.135 55.803 -0.015 0.000 0.800 168 Q CB 2.490 31.222 28.738 -0.009 0.000 1.304 168 Q HN 0.670 nan 8.270 nan 0.000 0.438 169 S N 0.977 116.668 115.700 -0.013 0.000 2.632 169 S HA 0.348 4.818 4.470 -0.000 0.000 0.267 169 S C -1.807 172.781 174.600 -0.020 0.000 1.276 169 S CA -0.955 57.233 58.200 -0.021 0.000 0.998 169 S CB 1.071 64.252 63.200 -0.031 0.000 0.953 169 S HN 0.257 nan 8.310 nan 0.000 0.547 170 P HA -0.157 nan 4.420 nan 0.000 0.217 170 P C 0.948 178.195 177.300 -0.088 0.000 1.151 170 P CA 1.572 64.612 63.100 -0.101 0.000 0.849 170 P CB -0.012 31.589 31.700 -0.165 0.000 0.787 171 E N -0.542 119.620 120.200 -0.064 0.000 2.028 171 E HA -0.190 4.159 4.350 -0.000 0.000 0.191 171 E C 2.228 178.830 176.600 0.003 0.000 0.988 171 E CA 1.073 57.447 56.400 -0.043 0.000 0.799 171 E CB -0.736 28.939 29.700 -0.042 0.000 0.755 171 E HN 0.347 nan 8.360 nan 0.000 0.447 172 Q N -0.013 119.789 119.800 0.004 0.000 2.152 172 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 172 Q C 2.218 178.258 176.000 0.066 0.000 0.985 172 Q CA 1.407 57.221 55.803 0.018 0.000 0.863 172 Q CB -0.234 28.501 28.738 -0.005 0.000 0.904 172 Q HN 0.391 nan 8.270 nan 0.000 0.422 173 M N 0.418 120.081 119.600 0.105 0.000 2.279 173 M HA -0.219 4.260 4.480 -0.000 0.000 0.264 173 M C 2.242 178.770 176.300 0.381 0.000 1.062 173 M CA 1.672 57.112 55.300 0.233 0.000 1.099 173 M CB -0.156 32.630 32.600 0.309 0.000 1.394 173 M HN 0.217 nan 8.290 nan 0.000 0.426 174 Q N -0.153 119.841 119.800 0.324 0.000 2.172 174 Q HA -0.073 4.266 4.340 -0.000 0.000 0.200 174 Q C 1.768 177.943 176.000 0.292 0.000 0.964 174 Q CA 1.440 57.496 55.803 0.422 0.000 0.855 174 Q CB -0.697 28.154 28.738 0.188 0.000 0.918 174 Q HN 0.296 nan 8.270 nan 0.000 0.444 175 V N 0.309 120.326 119.914 0.171 0.000 2.358 175 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 175 V C 2.159 178.333 176.094 0.133 0.000 1.047 175 V CA 1.249 63.622 62.300 0.122 0.000 1.035 175 V CB -0.323 31.537 31.823 0.062 0.000 0.658 175 V HN 0.471 nan 8.190 nan 0.000 0.452 176 L N -0.563 120.736 121.223 0.128 0.000 1.943 176 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 176 L C 2.461 179.386 176.870 0.092 0.000 1.074 176 L CA 2.293 57.187 54.840 0.091 0.000 0.759 176 L CB -1.401 40.708 42.059 0.082 0.000 0.888 176 L HN 0.303 nan 8.230 nan 0.000 0.433 177 L N -0.438 120.861 121.223 0.126 0.000 2.187 177 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 177 L C 2.203 179.099 176.870 0.043 0.000 1.100 177 L CA 1.510 56.352 54.840 0.004 0.000 0.765 177 L CB -0.617 41.367 42.059 -0.125 0.000 0.904 177 L HN 0.403 nan 8.230 nan 0.000 0.437 178 D N -0.270 120.295 120.400 0.274 0.000 2.075 178 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 178 D C 2.260 178.638 176.300 0.129 0.000 0.985 178 D CA 1.401 55.588 54.000 0.311 0.000 0.834 178 D CB 0.133 41.133 40.800 0.333 0.000 0.987 178 D HN 0.254 nan 8.370 nan 0.000 0.452 179 Q N -0.486 119.371 119.800 0.095 0.000 2.049 179 Q HA 0.042 4.382 4.340 -0.000 0.000 0.198 179 Q C 1.989 177.999 176.000 0.016 0.000 0.971 179 Q CA 1.393 57.225 55.803 0.048 0.000 0.833 179 Q CB -0.025 28.736 28.738 0.039 0.000 0.896 179 Q HN 0.351 nan 8.270 nan 0.000 0.434 180 A N -0.571 122.253 122.820 0.007 0.000 2.085 180 A HA 0.365 4.685 4.320 -0.000 0.000 0.208 180 A C 1.614 179.178 177.584 -0.034 0.000 1.191 180 A CA 0.833 52.863 52.037 -0.010 0.000 0.799 180 A CB 0.137 19.130 19.000 -0.011 0.000 0.877 180 A HN 0.450 nan 8.150 nan 0.000 0.473 181 G N -1.468 107.299 108.800 -0.056 0.000 2.179 181 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 181 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 181 G C 0.420 175.245 174.900 -0.125 0.000 0.977 181 G CA 0.631 45.650 45.100 -0.134 0.000 0.641 181 G HN 2.036 nan 8.290 nan 0.000 0.533 182 C N -1.607 117.659 119.300 -0.058 0.000 3.307 182 C HA 0.891 5.351 4.460 -0.000 0.000 0.333 182 C C 0.175 175.176 174.990 0.018 0.000 1.291 182 C CA -0.620 58.381 59.018 -0.029 0.000 1.273 182 C CB 1.323 29.060 27.740 -0.006 0.000 1.580 182 C HN 2.063 nan 8.230 nan 0.000 0.481 183 C N 0.844 120.171 119.300 0.045 0.000 3.306 183 C HA 0.882 5.342 4.460 -0.000 0.000 0.335 183 C C -1.461 173.600 174.990 0.118 0.000 1.382 183 C CA -0.680 58.388 59.018 0.083 0.000 1.254 183 C CB 0.437 28.221 27.740 0.074 0.000 1.555 183 C HN 1.155 nan 8.230 nan 0.000 0.463 184 I N 2.146 122.818 120.570 0.171 0.000 2.571 184 I HA 0.637 4.807 4.170 -0.000 0.000 0.286 184 I C -0.468 175.770 176.117 0.201 0.000 1.134 184 I CA -0.326 61.080 61.300 0.176 0.000 1.052 184 I CB 1.848 39.958 38.000 0.183 0.000 1.237 184 I HN 0.931 nan 8.210 nan 0.000 0.435 185 V N 2.052 122.049 119.914 0.137 0.000 3.114 185 V HA 0.982 5.102 4.120 -0.000 0.000 0.308 185 V C 0.004 176.140 176.094 0.070 0.000 1.168 185 V CA -0.491 61.877 62.300 0.114 0.000 1.015 185 V CB 1.462 33.332 31.823 0.079 0.000 1.050 185 V HN 0.679 nan 8.190 nan 0.000 0.433 186 G N 0.755 109.583 108.800 0.046 0.000 2.532 186 G HA2 0.560 4.520 3.960 -0.000 0.000 0.291 186 G HA3 0.560 4.520 3.960 -0.000 0.000 0.291 186 G C -0.593 174.294 174.900 -0.022 0.000 1.349 186 G CA -0.787 44.310 45.100 -0.005 0.000 1.038 186 G HN 0.889 nan 8.290 nan 0.000 0.518 187 Q N -0.667 119.097 119.800 -0.060 0.000 2.386 187 Q HA 0.415 4.755 4.340 -0.000 0.000 0.282 187 Q C 0.537 176.522 176.000 -0.026 0.000 1.050 187 Q CA 0.534 56.307 55.803 -0.050 0.000 0.918 187 Q CB 1.134 29.831 28.738 -0.069 0.000 1.266 187 Q HN 0.731 nan 8.270 nan 0.000 0.423 188 S N -0.260 115.428 115.700 -0.020 0.000 2.672 188 S HA 0.297 4.767 4.470 -0.000 0.000 0.271 188 S C 0.333 174.922 174.600 -0.018 0.000 1.171 188 S CA -0.883 57.308 58.200 -0.016 0.000 0.817 188 S CB 0.875 64.067 63.200 -0.012 0.000 1.150 188 S HN 0.517 nan 8.310 nan 0.000 0.478 189 E N 0.769 120.959 120.200 -0.018 0.000 2.136 189 E HA -0.246 4.104 4.350 -0.000 0.000 0.202 189 E C 1.681 178.267 176.600 -0.023 0.000 1.019 189 E CA 2.201 58.589 56.400 -0.020 0.000 0.819 189 E CB -0.288 29.400 29.700 -0.020 0.000 0.739 189 E HN 0.708 nan 8.360 nan 0.000 0.458 190 Q N -0.724 119.061 119.800 -0.025 0.000 2.396 190 Q HA 0.206 4.546 4.340 -0.000 0.000 0.220 190 Q C 0.416 176.399 176.000 -0.028 0.000 0.900 190 Q CA -0.003 55.782 55.803 -0.030 0.000 0.925 190 Q CB 0.652 29.368 28.738 -0.036 0.000 1.065 190 Q HN 0.114 nan 8.270 nan 0.000 0.535 191 L N 2.025 123.234 121.223 -0.022 0.000 2.257 191 L HA 0.224 4.564 4.340 -0.000 0.000 0.290 191 L C 0.241 177.100 176.870 -0.018 0.000 1.044 191 L CA -0.877 53.952 54.840 -0.017 0.000 0.810 191 L CB 1.479 43.534 42.059 -0.007 0.000 1.193 191 L HN 0.035 nan 8.230 nan 0.000 0.425 192 V N 1.869 121.773 119.914 -0.016 0.000 5.562 192 V HA -0.214 3.906 4.120 -0.000 0.000 0.232 192 V C -1.829 174.256 176.094 -0.015 0.000 0.694 192 V CA 0.135 62.426 62.300 -0.014 0.000 0.574 192 V CB -1.603 30.210 31.823 -0.016 0.000 0.230 192 V HN 0.726 nan 8.190 nan 0.000 0.568 193 P HA -0.115 nan 4.420 nan 0.000 0.216 193 P C 1.897 179.187 177.300 -0.017 0.000 1.150 193 P CA 2.667 65.755 63.100 -0.019 0.000 0.843 193 P CB 0.066 31.752 31.700 -0.024 0.000 0.787 194 A N -0.263 122.546 122.820 -0.017 0.000 1.898 194 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 194 A C 2.199 179.792 177.584 0.015 0.000 1.181 194 A CA 2.090 54.116 52.037 -0.018 0.000 0.620 194 A CB -1.572 17.415 19.000 -0.021 0.000 0.819 194 A HN 0.165 nan 8.150 nan 0.000 0.442 195 D N -0.468 119.950 120.400 0.030 0.000 2.144 195 D HA -0.033 4.607 4.640 -0.000 0.000 0.200 195 D C 1.918 178.275 176.300 0.095 0.000 0.978 195 D CA 1.566 55.609 54.000 0.072 0.000 0.833 195 D CB -0.465 40.367 40.800 0.054 0.000 0.961 195 D HN 0.281 nan 8.370 nan 0.000 0.470 196 G N 0.238 109.059 108.800 0.035 0.000 2.432 196 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 196 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 196 G C 1.748 176.696 174.900 0.080 0.000 1.135 196 G CA 0.693 45.812 45.100 0.033 0.000 0.767 196 G HN 0.391 nan 8.290 nan 0.000 0.550 197 I N 0.010 120.613 120.570 0.055 0.000 2.406 197 I HA -0.001 4.169 4.170 -0.000 0.000 0.249 197 I C 2.541 178.702 176.117 0.074 0.000 1.122 197 I CA 0.462 61.789 61.300 0.045 0.000 1.431 197 I CB -0.132 37.865 38.000 -0.004 0.000 1.087 197 I HN 0.128 nan 8.210 nan 0.000 0.424 198 L N -0.715 120.565 121.223 0.095 0.000 2.049 198 L HA -0.172 4.168 4.340 -0.000 0.000 0.203 198 L C 2.691 179.638 176.870 0.128 0.000 1.074 198 L CA 1.211 56.117 54.840 0.109 0.000 0.749 198 L CB -0.931 41.199 42.059 0.118 0.000 0.907 198 L HN 0.132 nan 8.230 nan 0.000 0.439 199 Y N 1.435 121.756 120.300 0.035 0.000 2.002 199 Y HA -0.421 4.129 4.550 -0.000 0.000 0.268 199 Y C 2.639 178.560 175.900 0.035 0.000 1.177 199 Y CA 1.900 60.021 58.100 0.035 0.000 1.111 199 Y CB -0.476 38.005 38.460 0.035 0.000 0.952 199 Y HN 0.139 nan 8.280 nan 0.000 0.491 200 A N -0.013 122.981 122.820 0.291 0.000 1.948 200 A HA -0.236 4.083 4.320 -0.000 0.000 0.220 200 A C 2.372 180.009 177.584 0.089 0.000 1.177 200 A CA 2.413 54.559 52.037 0.182 0.000 0.636 200 A CB -1.551 17.531 19.000 0.136 0.000 0.815 200 A HN 0.662 nan 8.150 nan 0.000 0.449 201 A N -0.550 122.314 122.820 0.073 0.000 1.854 201 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 201 A C 2.162 179.760 177.584 0.023 0.000 1.192 201 A CA 1.308 53.375 52.037 0.051 0.000 0.611 201 A CB -0.502 18.534 19.000 0.061 0.000 0.832 201 A HN 0.512 nan 8.150 nan 0.000 0.442 202 R N -0.243 120.255 120.500 -0.004 0.000 2.134 202 R HA -0.260 4.080 4.340 -0.000 0.000 0.248 202 R C 1.998 178.268 176.300 -0.050 0.000 1.143 202 R CA 1.881 57.956 56.100 -0.042 0.000 0.957 202 R CB -0.637 29.598 30.300 -0.109 0.000 0.867 202 R HN 0.701 nan 8.270 nan 0.000 0.441 203 D N 0.268 120.624 120.400 -0.073 0.000 2.154 203 D HA -0.167 4.473 4.640 -0.000 0.000 0.190 203 D C 1.243 177.558 176.300 0.024 0.000 1.003 203 D CA 1.989 55.967 54.000 -0.038 0.000 0.849 203 D CB 0.075 40.869 40.800 -0.009 0.000 0.942 203 D HN 0.202 nan 8.370 nan 0.000 0.446 204 V N -2.867 117.069 119.914 0.037 0.000 3.099 204 V HA 0.453 4.573 4.120 -0.000 0.000 0.356 204 V C 0.584 176.702 176.094 0.039 0.000 1.364 204 V CA 0.234 62.566 62.300 0.053 0.000 1.229 204 V CB 0.392 32.252 31.823 0.062 0.000 1.227 204 V HN 0.072 nan 8.190 nan 0.000 0.493 205 T N 0.565 115.136 114.554 0.028 0.000 3.170 205 T HA 0.580 4.930 4.350 -0.000 0.000 0.288 205 T C 1.217 175.930 174.700 0.020 0.000 0.992 205 T CA 0.544 62.659 62.100 0.026 0.000 0.909 205 T CB 0.594 69.479 68.868 0.028 0.000 1.133 205 T HN 1.291 nan 8.240 nan 0.000 0.530 206 A N 1.578 124.409 122.820 0.018 0.000 2.829 206 A HA -0.220 4.100 4.320 -0.000 0.000 0.267 206 A C 1.362 178.956 177.584 0.017 0.000 1.370 206 A CA 1.650 53.698 52.037 0.018 0.000 0.900 206 A CB -2.587 16.424 19.000 0.018 0.000 1.044 206 A HN 0.746 nan 8.150 nan 0.000 0.691 207 T N -3.367 111.192 114.554 0.009 0.000 3.243 207 T HA 0.475 4.824 4.350 -0.000 0.000 0.264 207 T C 1.159 175.850 174.700 -0.015 0.000 1.000 207 T CA 0.476 62.581 62.100 0.008 0.000 0.901 207 T CB 0.381 69.257 68.868 0.014 0.000 1.083 207 T HN 0.463 nan 8.240 nan 0.000 0.559 208 V N 2.445 122.340 119.914 -0.031 0.000 2.488 208 V HA -0.030 4.090 4.120 -0.000 0.000 0.246 208 V C 1.494 177.535 176.094 -0.089 0.000 1.046 208 V CA 1.470 63.722 62.300 -0.080 0.000 1.053 208 V CB -0.365 31.402 31.823 -0.094 0.000 0.679 208 V HN 0.742 nan 8.190 nan 0.000 0.458 209 D N 0.576 120.951 120.400 -0.041 0.000 2.619 209 D HA 0.084 4.723 4.640 -0.000 0.000 0.224 209 D C -0.024 176.310 176.300 0.055 0.000 1.133 209 D CA 0.299 54.270 54.000 -0.048 0.000 1.017 209 D CB 0.872 41.727 40.800 0.090 0.000 1.077 209 D HN 0.239 nan 8.370 nan 0.000 0.503 210 S N 1.669 117.369 115.700 -0.000 0.000 2.659 210 S HA 0.211 4.681 4.470 -0.000 0.000 0.312 210 S C 0.900 175.545 174.600 0.074 0.000 1.114 210 S CA -0.807 57.444 58.200 0.084 0.000 1.063 210 S CB 1.234 64.463 63.200 0.048 0.000 0.996 210 S HN 0.359 nan 8.310 nan 0.000 0.478 211 L N 7.163 128.513 121.223 0.211 0.000 1.978 211 L HA -0.026 4.314 4.340 -0.000 0.000 0.218 211 L C -0.604 176.321 176.870 0.092 0.000 1.075 211 L CA 2.189 57.147 54.840 0.197 0.000 0.767 211 L CB -0.637 41.583 42.059 0.268 0.000 0.890 211 L HN 0.566 nan 8.230 nan 0.000 0.434 212 P HA -0.219 nan 4.420 nan 0.000 0.213 212 P C 2.014 179.340 177.300 0.043 0.000 1.170 212 P CA 1.830 64.963 63.100 0.055 0.000 0.898 212 P CB -0.164 31.564 31.700 0.048 0.000 0.787 213 L N -1.028 120.217 121.223 0.036 0.000 2.081 213 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 213 L C 2.897 179.778 176.870 0.018 0.000 1.080 213 L CA 1.460 56.318 54.840 0.030 0.000 0.754 213 L CB -0.933 41.138 42.059 0.019 0.000 0.893 213 L HN -0.116 nan 8.230 nan 0.000 0.433 214 I N -0.652 119.912 120.570 -0.010 0.000 2.226 214 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 214 I C 2.541 178.669 176.117 0.017 0.000 1.100 214 I CA 1.474 62.757 61.300 -0.029 0.000 1.374 214 I CB -0.513 37.421 38.000 -0.111 0.000 1.057 214 I HN 0.252 nan 8.210 nan 0.000 0.413 215 T N 0.812 115.382 114.554 0.026 0.000 2.674 215 T HA -0.160 4.190 4.350 -0.000 0.000 0.265 215 T C 2.078 176.801 174.700 0.039 0.000 1.039 215 T CA 1.558 63.682 62.100 0.039 0.000 1.150 215 T CB -0.348 68.548 68.868 0.046 0.000 0.864 215 T HN 0.467 nan 8.240 nan 0.000 0.427 216 A N 1.143 123.988 122.820 0.042 0.000 1.858 216 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 216 A C 2.578 180.192 177.584 0.049 0.000 1.190 216 A CA 2.242 54.305 52.037 0.045 0.000 0.617 216 A CB -1.276 17.756 19.000 0.053 0.000 0.827 216 A HN 0.459 nan 8.150 nan 0.000 0.443 217 S N -0.275 115.468 115.700 0.071 0.000 2.359 217 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 217 S C 1.949 176.587 174.600 0.064 0.000 1.039 217 S CA 1.738 60.006 58.200 0.114 0.000 1.042 217 S CB -0.589 62.723 63.200 0.187 0.000 0.915 217 S HN 0.459 nan 8.310 nan 0.000 0.439 218 I N 1.012 121.614 120.570 0.053 0.000 2.099 218 I HA -0.202 3.968 4.170 -0.000 0.000 0.239 218 I C 2.387 178.446 176.117 -0.098 0.000 1.066 218 I CA 1.488 62.774 61.300 -0.024 0.000 1.324 218 I CB -0.388 37.654 38.000 0.070 0.000 1.037 218 I HN 0.339 nan 8.210 nan 0.000 0.401 219 L N 0.271 121.478 121.223 -0.026 0.000 2.056 219 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 219 L C 2.868 179.722 176.870 -0.027 0.000 1.078 219 L CA 1.546 56.372 54.840 -0.023 0.000 0.749 219 L CB -0.796 41.267 42.059 0.006 0.000 0.901 219 L HN 0.380 nan 8.230 nan 0.000 0.433 220 S N 0.202 115.895 115.700 -0.012 0.000 2.380 220 S HA -0.283 4.187 4.470 -0.000 0.000 0.229 220 S C 1.894 176.479 174.600 -0.025 0.000 1.043 220 S CA 1.458 59.655 58.200 -0.005 0.000 1.038 220 S CB -0.390 62.817 63.200 0.011 0.000 0.872 220 S HN 0.407 nan 8.310 nan 0.000 0.456 221 K N 1.037 121.398 120.400 -0.065 0.000 1.984 221 K HA 0.012 4.332 4.320 -0.000 0.000 0.209 221 K C 2.300 178.864 176.600 -0.060 0.000 1.046 221 K CA 1.274 57.509 56.287 -0.087 0.000 0.934 221 K CB -0.198 32.188 32.500 -0.190 0.000 0.717 221 K HN 0.235 nan 8.250 nan 0.000 0.438 222 K N 1.247 121.594 120.400 -0.088 0.000 2.283 222 K HA -0.041 4.279 4.320 -0.000 0.000 0.202 222 K C 1.843 178.450 176.600 0.012 0.000 1.048 222 K CA 0.615 56.884 56.287 -0.030 0.000 0.948 222 K CB -0.250 32.228 32.500 -0.037 0.000 0.742 222 K HN 0.200 nan 8.250 nan 0.000 0.458 223 L N 0.759 121.985 121.223 0.005 0.000 2.675 223 L HA -0.022 4.318 4.340 -0.000 0.000 0.238 223 L C 1.142 178.032 176.870 0.034 0.000 1.155 223 L CA 0.423 55.275 54.840 0.021 0.000 0.881 223 L CB 0.244 42.311 42.059 0.013 0.000 1.008 223 L HN -0.146 nan 8.230 nan 0.000 0.443 224 V N -1.667 118.273 119.914 0.044 0.000 3.392 224 V HA 0.065 4.185 4.120 -0.000 0.000 0.294 224 V C 1.478 177.634 176.094 0.104 0.000 1.561 224 V CA 0.090 62.422 62.300 0.053 0.000 1.056 224 V CB 0.739 32.577 31.823 0.024 0.000 0.882 224 V HN 0.348 nan 8.190 nan 0.000 0.440 225 E N 0.863 121.150 120.200 0.146 0.000 2.385 225 E HA 0.250 4.600 4.350 -0.000 0.000 0.194 225 E C 1.152 177.987 176.600 0.391 0.000 1.013 225 E CA 0.565 57.130 56.400 0.275 0.000 0.866 225 E CB 0.270 30.086 29.700 0.194 0.000 0.832 225 E HN 0.593 nan 8.360 nan 0.000 0.500 226 G N 2.096 111.039 108.800 0.239 0.000 2.587 226 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.274 226 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.274 226 G C -0.380 174.625 174.900 0.175 0.000 1.046 226 G CA -0.120 45.122 45.100 0.238 0.000 1.308 226 G HN 0.073 nan 8.290 nan 0.000 0.529 227 L N 0.865 122.148 121.223 0.100 0.000 2.334 227 L HA 0.633 4.973 4.340 -0.000 0.000 0.273 227 L C 1.584 178.477 176.870 0.040 0.000 1.013 227 L CA -0.320 54.550 54.840 0.050 0.000 0.816 227 L CB 1.668 43.747 42.059 0.034 0.000 1.278 227 L HN 0.386 nan 8.230 nan 0.000 0.431 228 S N 1.728 117.443 115.700 0.025 0.000 2.357 228 S HA 0.131 4.601 4.470 -0.000 0.000 0.221 228 S C 0.543 175.148 174.600 0.008 0.000 1.031 228 S CA 0.872 59.084 58.200 0.021 0.000 0.982 228 S CB 0.172 63.386 63.200 0.023 0.000 0.853 228 S HN 0.744 nan 8.310 nan 0.000 0.458 229 A N 1.296 124.121 122.820 0.008 0.000 2.427 229 A HA 0.662 4.981 4.320 -0.000 0.000 0.298 229 A C -1.190 176.401 177.584 0.012 0.000 1.036 229 A CA -0.642 51.395 52.037 -0.001 0.000 0.701 229 A CB 1.343 20.337 19.000 -0.009 0.000 1.250 229 A HN 0.465 nan 8.150 nan 0.000 0.412 230 L N 3.742 124.973 121.223 0.014 0.000 2.362 230 L HA 0.791 5.130 4.340 -0.000 0.000 0.275 230 L C -1.575 175.318 176.870 0.039 0.000 0.998 230 L CA -0.520 54.339 54.840 0.031 0.000 0.820 230 L CB 1.669 43.748 42.059 0.033 0.000 1.270 230 L HN 0.462 nan 8.230 nan 0.000 0.415 231 V N 5.457 125.406 119.914 0.059 0.000 2.495 231 V HA 0.477 4.597 4.120 -0.000 0.000 0.298 231 V C -0.107 176.044 176.094 0.094 0.000 1.031 231 V CA -0.617 61.728 62.300 0.075 0.000 0.871 231 V CB 2.054 33.929 31.823 0.085 0.000 0.988 231 V HN 0.555 nan 8.190 nan 0.000 0.432 232 V N 3.226 123.199 119.914 0.097 0.000 2.417 232 V HA 0.378 4.498 4.120 -0.000 0.000 0.291 232 V C -0.375 175.782 176.094 0.104 0.000 1.024 232 V CA -0.577 61.790 62.300 0.111 0.000 0.861 232 V CB 1.876 33.761 31.823 0.104 0.000 0.985 232 V HN 0.906 nan 8.190 nan 0.000 0.436 233 D N 4.426 124.882 120.400 0.094 0.000 2.411 233 D HA 0.280 4.919 4.640 -0.000 0.000 0.225 233 D C -0.409 175.936 176.300 0.075 0.000 1.156 233 D CA 0.017 54.069 54.000 0.087 0.000 0.874 233 D CB 1.308 42.147 40.800 0.064 0.000 1.034 233 D HN 0.255 nan 8.370 nan 0.000 0.502 234 V N 5.491 125.461 119.914 0.093 0.000 2.432 234 V HA 0.248 4.368 4.120 -0.000 0.000 0.275 234 V C 0.591 176.760 176.094 0.125 0.000 1.043 234 V CA -0.693 61.667 62.300 0.100 0.000 0.925 234 V CB 1.180 33.071 31.823 0.114 0.000 0.985 234 V HN 0.338 nan 8.190 nan 0.000 0.466 235 K N 5.107 125.560 120.400 0.089 0.000 2.118 235 K HA 0.623 4.943 4.320 -0.000 0.000 0.267 235 K C -0.684 176.009 176.600 0.156 0.000 0.991 235 K CA -0.246 56.072 56.287 0.051 0.000 0.916 235 K CB 1.794 34.284 32.500 -0.016 0.000 1.041 235 K HN 0.640 nan 8.250 nan 0.000 0.455 236 F N -2.168 117.810 119.950 0.046 0.000 2.574 236 F HA 0.728 5.255 4.527 -0.000 0.000 0.313 236 F C -0.192 175.638 175.800 0.049 0.000 1.130 236 F CA -0.686 57.349 58.000 0.059 0.000 0.936 236 F CB 2.031 41.055 39.000 0.040 0.000 1.219 236 F HN 0.708 nan 8.300 nan 0.000 0.445 237 G N 1.399 110.252 108.800 0.088 0.000 2.359 237 G HA2 0.393 4.353 3.960 -0.000 0.000 0.314 237 G HA3 0.393 4.353 3.960 -0.000 0.000 0.314 237 G C 0.314 175.241 174.900 0.045 0.000 1.364 237 G CA -0.259 44.840 45.100 -0.002 0.000 0.978 237 G HN 1.332 nan 8.290 nan 0.000 0.615 238 G N -0.139 108.679 108.800 0.030 0.000 2.469 238 G HA2 0.164 4.124 3.960 -0.000 0.000 0.219 238 G HA3 0.164 4.124 3.960 -0.000 0.000 0.219 238 G C 1.920 176.845 174.900 0.041 0.000 1.150 238 G CA 2.758 47.878 45.100 0.033 0.000 0.763 238 G HN 1.855 nan 8.290 nan 0.000 0.561 239 A N 0.276 123.122 122.820 0.042 0.000 2.072 239 A HA 0.683 5.003 4.320 -0.000 0.000 0.216 239 A C 1.741 179.424 177.584 0.165 0.000 1.156 239 A CA 1.098 53.196 52.037 0.102 0.000 0.701 239 A CB -0.337 18.708 19.000 0.074 0.000 0.816 239 A HN 0.842 nan 8.150 nan 0.000 0.458 240 A N -0.660 122.213 122.820 0.088 0.000 2.386 240 A HA 0.381 4.701 4.320 -0.000 0.000 0.246 240 A C 1.402 179.069 177.584 0.138 0.000 1.089 240 A CA 0.238 52.324 52.037 0.082 0.000 0.790 240 A CB 0.169 19.212 19.000 0.073 0.000 1.042 240 A HN 0.455 nan 8.150 nan 0.000 0.497 241 V N -0.005 119.949 119.914 0.067 0.000 2.515 241 V HA -0.106 4.014 4.120 -0.000 0.000 0.250 241 V C 0.697 176.918 176.094 0.213 0.000 1.058 241 V CA 1.361 63.687 62.300 0.043 0.000 1.064 241 V CB -0.796 30.910 31.823 -0.194 0.000 0.675 241 V HN 0.623 nan 8.190 nan 0.000 0.461 242 F N -0.091 119.902 119.950 0.072 0.000 2.366 242 F HA 0.305 4.832 4.527 -0.000 0.000 0.357 242 F C -1.488 174.365 175.800 0.088 0.000 1.107 242 F CA -2.004 56.038 58.000 0.069 0.000 1.208 242 F CB 1.593 40.632 39.000 0.065 0.000 1.464 242 F HN 0.116 nan 8.300 nan 0.000 0.501 243 P HA -0.241 nan 4.420 nan 0.000 0.215 243 P C 0.234 177.635 177.300 0.169 0.000 1.163 243 P CA 1.334 64.538 63.100 0.174 0.000 0.894 243 P CB 0.074 31.843 31.700 0.116 0.000 0.791 244 N N -0.587 118.172 118.700 0.099 0.000 2.345 244 N HA -0.144 4.596 4.740 -0.000 0.000 0.243 244 N C 1.121 176.679 175.510 0.080 0.000 1.246 244 N CA 0.159 53.242 53.050 0.054 0.000 0.863 244 N CB 0.385 38.858 38.487 -0.024 0.000 1.096 244 N HN 0.075 nan 8.380 nan 0.000 0.446 245 Q N 1.498 121.308 119.800 0.017 0.000 2.089 245 Q HA -0.129 4.211 4.340 -0.000 0.000 0.195 245 Q C 1.691 177.621 176.000 -0.116 0.000 0.963 245 Q CA 0.894 56.638 55.803 -0.098 0.000 0.834 245 Q CB 0.015 28.593 28.738 -0.268 0.000 0.906 245 Q HN 0.794 nan 8.270 nan 0.000 0.452 246 E N 0.278 120.421 120.200 -0.096 0.000 2.110 246 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 246 E C 1.842 178.408 176.600 -0.057 0.000 0.988 246 E CA 1.202 57.553 56.400 -0.082 0.000 0.804 246 E CB -0.356 29.301 29.700 -0.071 0.000 0.745 246 E HN 0.447 nan 8.360 nan 0.000 0.458 247 Q N 0.571 120.334 119.800 -0.062 0.000 2.297 247 Q HA -0.049 4.291 4.340 -0.000 0.000 0.204 247 Q C 2.017 178.024 176.000 0.012 0.000 0.962 247 Q CA 1.054 56.801 55.803 -0.095 0.000 0.879 247 Q CB -0.009 28.605 28.738 -0.206 0.000 0.947 247 Q HN 0.405 nan 8.270 nan 0.000 0.462 248 A N 0.571 123.440 122.820 0.083 0.000 1.935 248 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 248 A C 1.890 179.547 177.584 0.122 0.000 1.178 248 A CA 0.634 52.791 52.037 0.199 0.000 0.640 248 A CB -0.153 18.988 19.000 0.235 0.000 0.825 248 A HN 0.289 nan 8.150 nan 0.000 0.447 249 R N -0.082 120.435 120.500 0.028 0.000 2.189 249 R HA -0.046 4.294 4.340 -0.000 0.000 0.223 249 R C 1.586 177.902 176.300 0.027 0.000 1.092 249 R CA 1.094 57.194 56.100 0.001 0.000 0.989 249 R CB -0.070 30.196 30.300 -0.056 0.000 0.876 249 R HN 0.421 nan 8.270 nan 0.000 0.457 250 E N 0.721 120.945 120.200 0.039 0.000 2.076 250 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 250 E C 1.897 178.550 176.600 0.089 0.000 0.979 250 E CA 0.652 57.078 56.400 0.044 0.000 0.807 250 E CB -0.206 29.504 29.700 0.017 0.000 0.761 250 E HN 0.148 nan 8.360 nan 0.000 0.454 251 L N 1.215 122.532 121.223 0.156 0.000 2.093 251 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 251 L C 2.130 179.066 176.870 0.109 0.000 1.085 251 L CA 1.947 56.892 54.840 0.176 0.000 0.755 251 L CB -0.990 41.220 42.059 0.252 0.000 0.904 251 L HN 0.027 nan 8.230 nan 0.000 0.435 252 A N -0.284 122.594 122.820 0.097 0.000 1.892 252 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 252 A C 2.298 179.914 177.584 0.053 0.000 1.188 252 A CA 2.046 54.124 52.037 0.070 0.000 0.631 252 A CB -0.546 18.487 19.000 0.055 0.000 0.822 252 A HN 0.446 nan 8.150 nan 0.000 0.447 253 K N -0.952 119.474 120.400 0.044 0.000 2.025 253 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 253 K C 2.109 178.731 176.600 0.037 0.000 1.049 253 K CA 1.711 58.017 56.287 0.033 0.000 0.933 253 K CB -1.157 31.357 32.500 0.024 0.000 0.714 253 K HN 0.480 nan 8.250 nan 0.000 0.438 254 T N 2.393 116.975 114.554 0.048 0.000 2.778 254 T HA -0.116 4.233 4.350 -0.000 0.000 0.269 254 T C 1.911 176.638 174.700 0.045 0.000 1.050 254 T CA 1.053 63.182 62.100 0.048 0.000 1.137 254 T CB -0.111 68.795 68.868 0.064 0.000 0.860 254 T HN 0.115 nan 8.240 nan 0.000 0.468 255 L N 0.734 121.987 121.223 0.049 0.000 2.209 255 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 255 L C 2.570 179.462 176.870 0.036 0.000 1.094 255 L CA 0.526 55.393 54.840 0.046 0.000 0.790 255 L CB -0.327 41.765 42.059 0.055 0.000 0.932 255 L HN 0.226 nan 8.230 nan 0.000 0.447 256 V N -2.953 116.981 119.914 0.032 0.000 2.407 256 V HA 0.069 4.188 4.120 -0.000 0.000 0.245 256 V C 2.355 178.460 176.094 0.018 0.000 1.041 256 V CA 1.273 63.586 62.300 0.022 0.000 1.040 256 V CB -1.669 30.165 31.823 0.018 0.000 0.671 256 V HN 0.339 nan 8.190 nan 0.000 0.455 257 G N 1.142 109.954 108.800 0.020 0.000 2.736 257 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.214 257 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.214 257 G C 1.586 176.497 174.900 0.018 0.000 1.327 257 G CA 1.759 46.869 45.100 0.017 0.000 0.818 257 G HN 0.345 nan 8.290 nan 0.000 0.611 258 V N 2.038 121.966 119.914 0.022 0.000 2.277 258 V HA -0.222 3.898 4.120 -0.000 0.000 0.253 258 V C 3.179 179.285 176.094 0.020 0.000 1.067 258 V CA 2.356 64.669 62.300 0.022 0.000 1.047 258 V CB -1.424 30.415 31.823 0.027 0.000 0.649 258 V HN 0.541 nan 8.190 nan 0.000 0.447 259 G N -0.457 108.356 108.800 0.021 0.000 2.529 259 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 259 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 259 G C 1.764 176.672 174.900 0.014 0.000 1.177 259 G CA 1.561 46.673 45.100 0.019 0.000 0.773 259 G HN 0.688 nan 8.290 nan 0.000 0.573 260 A N 0.703 123.530 122.820 0.011 0.000 1.851 260 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 260 A C 2.667 180.257 177.584 0.009 0.000 1.195 260 A CA 2.746 54.787 52.037 0.007 0.000 0.622 260 A CB -1.223 17.779 19.000 0.003 0.000 0.831 260 A HN 0.736 nan 8.150 nan 0.000 0.444 261 S N -0.520 115.187 115.700 0.011 0.000 2.444 261 S HA -0.151 4.319 4.470 -0.000 0.000 0.244 261 S C 1.406 176.013 174.600 0.013 0.000 1.025 261 S CA 1.718 59.925 58.200 0.011 0.000 0.995 261 S CB -0.556 62.652 63.200 0.013 0.000 0.781 261 S HN 0.456 nan 8.310 nan 0.000 0.496 262 L N -0.072 121.160 121.223 0.014 0.000 2.667 262 L HA 0.387 4.727 4.340 -0.000 0.000 0.232 262 L C 1.587 178.467 176.870 0.016 0.000 1.138 262 L CA 0.268 55.117 54.840 0.016 0.000 0.921 262 L CB -0.144 41.925 42.059 0.017 0.000 1.180 262 L HN 0.493 nan 8.230 nan 0.000 0.487 263 G N 0.601 109.410 108.800 0.014 0.000 2.144 263 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 263 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 263 G C -0.098 174.812 174.900 0.016 0.000 0.988 263 G CA -0.344 44.765 45.100 0.015 0.000 0.659 263 G HN 0.181 nan 8.290 nan 0.000 0.522 264 L N -0.138 121.094 121.223 0.014 0.000 2.352 264 L HA 0.649 4.989 4.340 -0.000 0.000 0.269 264 L C 0.999 177.872 176.870 0.004 0.000 1.034 264 L CA -1.186 53.662 54.840 0.014 0.000 0.806 264 L CB 1.243 43.313 42.059 0.017 0.000 1.244 264 L HN -0.057 nan 8.230 nan 0.000 0.447 265 R N 1.910 122.410 120.500 0.001 0.000 4.017 265 R HA 0.247 4.587 4.340 -0.000 0.000 0.272 265 R C -1.089 175.202 176.300 -0.014 0.000 1.516 265 R CA -0.367 55.724 56.100 -0.016 0.000 1.519 265 R CB -0.048 30.237 30.300 -0.025 0.000 1.422 265 R HN 0.294 nan 8.270 nan 0.000 0.719 266 V N 1.363 121.275 119.914 -0.004 0.000 2.637 266 V HA 0.312 4.432 4.120 -0.000 0.000 0.296 266 V C 0.588 176.682 176.094 -0.001 0.000 1.046 266 V CA -0.343 61.961 62.300 0.007 0.000 1.066 266 V CB 1.308 33.142 31.823 0.018 0.000 0.968 266 V HN 0.498 nan 8.190 nan 0.000 0.483 267 A N 4.092 126.920 122.820 0.014 0.000 2.402 267 A HA 0.860 5.180 4.320 -0.000 0.000 0.291 267 A C -0.278 177.341 177.584 0.058 0.000 1.051 267 A CA -0.191 51.857 52.037 0.019 0.000 0.716 267 A CB 1.428 20.427 19.000 -0.001 0.000 1.223 267 A HN 1.304 nan 8.150 nan 0.000 0.425 268 A N 1.434 124.292 122.820 0.064 0.000 2.325 268 A HA 0.920 5.240 4.320 -0.000 0.000 0.333 268 A C 0.129 177.771 177.584 0.097 0.000 1.155 268 A CA 0.030 52.115 52.037 0.080 0.000 0.814 268 A CB 1.186 20.225 19.000 0.065 0.000 1.206 268 A HN 2.319 nan 8.150 nan 0.000 0.482 269 A N 1.811 124.698 122.820 0.112 0.000 2.365 269 A HA 0.688 5.007 4.320 -0.000 0.000 0.318 269 A C -0.852 176.764 177.584 0.054 0.000 1.091 269 A CA -0.477 51.623 52.037 0.105 0.000 0.763 269 A CB 0.912 20.067 19.000 0.259 0.000 1.248 269 A HN 0.745 nan 8.150 nan 0.000 0.442 270 L N 2.847 124.042 121.223 -0.047 0.000 2.272 270 L HA 0.563 4.903 4.340 -0.000 0.000 0.289 270 L C 0.156 177.107 176.870 0.135 0.000 1.032 270 L CA -0.105 54.785 54.840 0.083 0.000 0.810 270 L CB 1.217 43.261 42.059 -0.025 0.000 1.205 270 L HN 0.973 nan 8.230 nan 0.000 0.422 271 T N -0.121 114.577 114.554 0.240 0.000 2.900 271 T HA 0.706 5.056 4.350 -0.000 0.000 0.295 271 T C -0.191 174.293 174.700 -0.361 0.000 1.044 271 T CA -0.788 61.358 62.100 0.076 0.000 0.995 271 T CB 2.195 71.104 68.868 0.069 0.000 1.072 271 T HN 0.604 nan 8.240 nan 0.000 0.473 272 A N 2.510 125.028 122.820 -0.502 0.000 2.425 272 A HA 0.654 4.974 4.320 -0.000 0.000 0.249 272 A C 0.308 177.608 177.584 -0.473 0.000 1.084 272 A CA -0.559 50.956 52.037 -0.869 0.000 0.781 272 A CB 0.009 18.775 19.000 -0.389 0.000 1.019 272 A HN 0.964 nan 8.150 nan 0.000 0.490 273 M N 1.858 121.178 119.600 -0.466 0.000 3.637 273 M HA 0.240 4.720 4.480 -0.000 0.000 0.452 273 M C -0.427 175.796 176.300 -0.128 0.000 1.718 273 M CA -0.026 55.146 55.300 -0.214 0.000 0.690 273 M CB 0.347 32.852 32.600 -0.159 0.000 1.448 273 M HN 0.749 nan 8.290 nan 0.000 0.524 274 D N 0.922 121.251 120.400 -0.117 0.000 2.240 274 D HA 0.076 4.716 4.640 -0.000 0.000 0.206 274 D C 0.151 176.441 176.300 -0.016 0.000 0.963 274 D CA 0.758 54.731 54.000 -0.045 0.000 0.863 274 D CB 0.574 41.358 40.800 -0.026 0.000 0.973 274 D HN 0.480 nan 8.370 nan 0.000 0.501 275 K N 0.637 121.025 120.400 -0.020 0.000 2.318 275 K HA 0.594 4.913 4.320 -0.000 0.000 0.249 275 K C -3.014 173.585 176.600 -0.003 0.000 0.942 275 K CA -1.905 54.385 56.287 0.006 0.000 0.808 275 K CB 1.868 34.379 32.500 0.019 0.000 1.189 275 K HN -0.356 nan 8.250 nan 0.000 0.428 276 P HA -0.088 nan 4.420 nan 0.000 0.269 276 P C -0.733 176.563 177.300 -0.006 0.000 1.211 276 P CA -0.242 62.861 63.100 0.004 0.000 0.781 276 P CB 0.429 32.138 31.700 0.016 0.000 0.877 277 L N 1.394 122.607 121.223 -0.016 0.000 2.312 277 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 277 L C 1.141 178.000 176.870 -0.018 0.000 1.070 277 L CA 0.429 55.259 54.840 -0.017 0.000 0.805 277 L CB 0.118 42.163 42.059 -0.024 0.000 1.174 277 L HN 0.729 nan 8.230 nan 0.000 0.434 278 G N 3.684 112.475 108.800 -0.015 0.000 2.601 278 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.261 278 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.261 278 G C 0.363 175.256 174.900 -0.012 0.000 1.289 278 G CA 0.540 45.629 45.100 -0.019 0.000 0.920 278 G HN 0.761 nan 8.290 nan 0.000 0.571 279 R N -1.533 118.957 120.500 -0.017 0.000 2.250 279 R HA 0.323 4.663 4.340 -0.000 0.000 0.194 279 R C 1.221 177.508 176.300 -0.021 0.000 0.927 279 R CA 0.848 56.942 56.100 -0.009 0.000 1.052 279 R CB 0.062 30.356 30.300 -0.011 0.000 1.055 279 R HN 0.616 nan 8.270 nan 0.000 0.537 280 C N 0.429 119.706 119.300 -0.040 0.000 2.362 280 C HA 0.687 5.147 4.460 -0.000 0.000 0.363 280 C C -0.294 174.658 174.990 -0.064 0.000 1.220 280 C CA -0.713 58.268 59.018 -0.061 0.000 2.379 280 C CB 1.589 29.280 27.740 -0.081 0.000 2.351 280 C HN 0.085 nan 8.230 nan 0.000 0.582 281 V N 1.255 121.119 119.914 -0.083 0.000 2.789 281 V HA 0.829 4.949 4.120 -0.000 0.000 0.300 281 V C 0.257 176.274 176.094 -0.129 0.000 1.184 281 V CA 0.638 62.884 62.300 -0.090 0.000 0.930 281 V CB 0.967 32.758 31.823 -0.053 0.000 1.041 281 V HN 1.435 nan 8.190 nan 0.000 0.430 282 G N 2.861 111.548 108.800 -0.187 0.000 2.470 282 G HA2 0.190 4.150 3.960 -0.000 0.000 0.145 282 G HA3 0.190 4.150 3.960 -0.000 0.000 0.145 282 G C -0.263 174.397 174.900 -0.399 0.000 1.223 282 G CA 0.168 45.109 45.100 -0.265 0.000 1.058 282 G HN 0.571 nan 8.290 nan 0.000 0.469 283 H N -0.737 118.294 119.070 -0.066 0.000 2.143 283 H HA 0.444 5.000 4.556 -0.000 0.000 0.238 283 H C 2.539 177.827 175.328 -0.067 0.000 0.914 283 H CA 1.165 57.176 56.048 -0.061 0.000 1.154 283 H CB 0.268 29.999 29.762 -0.052 0.000 1.359 283 H HN 0.620 nan 8.280 nan 0.000 0.493 284 A N 0.889 123.750 122.820 0.069 0.000 2.218 284 A HA 0.163 4.483 4.320 -0.000 0.000 0.209 284 A C 2.117 179.674 177.584 -0.045 0.000 1.168 284 A CA 0.197 52.237 52.037 0.006 0.000 0.804 284 A CB -0.276 18.727 19.000 0.005 0.000 0.834 284 A HN 0.219 nan 8.150 nan 0.000 0.482 285 L N -1.338 119.834 121.223 -0.085 0.000 2.416 285 L HA 0.056 4.396 4.340 -0.000 0.000 0.216 285 L C 2.241 179.049 176.870 -0.104 0.000 1.098 285 L CA 0.593 55.352 54.840 -0.135 0.000 0.840 285 L CB -0.013 41.907 42.059 -0.232 0.000 0.981 285 L HN 0.457 nan 8.230 nan 0.000 0.462 286 E N -0.561 119.587 120.200 -0.087 0.000 2.122 286 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 286 E C 2.072 178.629 176.600 -0.072 0.000 0.977 286 E CA 0.702 57.053 56.400 -0.081 0.000 0.820 286 E CB 0.330 29.979 29.700 -0.084 0.000 0.770 286 E HN 0.247 nan 8.360 nan 0.000 0.462 287 V N 1.746 121.627 119.914 -0.055 0.000 2.913 287 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 287 V C 1.864 177.923 176.094 -0.058 0.000 1.098 287 V CA 1.433 63.705 62.300 -0.048 0.000 1.121 287 V CB -0.462 31.356 31.823 -0.008 0.000 0.714 287 V HN 0.213 nan 8.190 nan 0.000 0.487 288 E N 0.193 120.359 120.200 -0.056 0.000 2.112 288 E HA -0.204 4.146 4.350 -0.000 0.000 0.190 288 E C 2.193 178.753 176.600 -0.068 0.000 0.979 288 E CA 1.076 57.444 56.400 -0.053 0.000 0.814 288 E CB 0.041 29.710 29.700 -0.051 0.000 0.762 288 E HN 0.704 nan 8.360 nan 0.000 0.460 289 E N 0.572 120.727 120.200 -0.075 0.000 2.285 289 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 289 E C 1.888 178.430 176.600 -0.097 0.000 0.997 289 E CA 0.560 56.915 56.400 -0.075 0.000 0.845 289 E CB 0.108 29.767 29.700 -0.067 0.000 0.782 289 E HN 0.164 nan 8.360 nan 0.000 0.491 290 A N 0.928 123.675 122.820 -0.122 0.000 1.930 290 A HA -0.116 4.203 4.320 -0.000 0.000 0.217 290 A C 2.084 179.536 177.584 -0.220 0.000 1.175 290 A CA 0.855 52.788 52.037 -0.174 0.000 0.627 290 A CB -0.478 18.397 19.000 -0.208 0.000 0.815 290 A HN 0.283 nan 8.150 nan 0.000 0.443 291 L N -1.024 120.080 121.223 -0.198 0.000 2.005 291 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 291 L C 2.390 179.188 176.870 -0.121 0.000 1.072 291 L CA 0.749 55.480 54.840 -0.182 0.000 0.744 291 L CB -0.618 41.377 42.059 -0.107 0.000 0.895 291 L HN 0.258 nan 8.230 nan 0.000 0.433 292 L N -0.564 120.606 121.223 -0.088 0.000 2.081 292 L HA -0.309 4.031 4.340 -0.000 0.000 0.212 292 L C 2.710 179.537 176.870 -0.071 0.000 1.080 292 L CA 1.591 56.392 54.840 -0.065 0.000 0.754 292 L CB -1.241 40.786 42.059 -0.053 0.000 0.893 292 L HN 0.430 nan 8.230 nan 0.000 0.433 293 C N -0.498 118.749 119.300 -0.089 0.000 2.440 293 C HA -0.151 4.309 4.460 -0.000 0.000 0.278 293 C C 2.598 177.534 174.990 -0.090 0.000 1.295 293 C CA 0.623 59.590 59.018 -0.085 0.000 1.738 293 C CB -0.594 27.090 27.740 -0.093 0.000 1.987 293 C HN 0.521 nan 8.230 nan 0.000 0.492 294 M N -0.494 119.034 119.600 -0.120 0.000 2.495 294 M HA 0.104 4.584 4.480 -0.000 0.000 0.237 294 M C 0.748 177.004 176.300 -0.073 0.000 1.131 294 M CA 0.519 55.754 55.300 -0.110 0.000 1.032 294 M CB -0.303 32.194 32.600 -0.171 0.000 1.513 294 M HN 0.165 nan 8.290 nan 0.000 0.488 295 D N 0.333 120.693 120.400 -0.067 0.000 2.339 295 D HA 0.201 4.841 4.640 -0.000 0.000 0.217 295 D C 1.412 177.691 176.300 -0.034 0.000 1.050 295 D CA 0.967 54.941 54.000 -0.044 0.000 0.856 295 D CB 0.593 41.367 40.800 -0.042 0.000 0.922 295 D HN 0.485 nan 8.370 nan 0.000 0.518 296 G N -0.229 108.548 108.800 -0.038 0.000 3.131 296 G HA2 0.102 4.062 3.960 -0.000 0.000 0.198 296 G HA3 0.102 4.062 3.960 -0.000 0.000 0.198 296 G C 0.115 174.995 174.900 -0.033 0.000 1.435 296 G CA -0.014 45.068 45.100 -0.031 0.000 1.016 296 G HN 0.693 nan 8.290 nan 0.000 0.499 297 A N -0.590 122.209 122.820 -0.034 0.000 2.532 297 A HA 0.889 5.209 4.320 -0.000 0.000 0.296 297 A C 0.105 177.669 177.584 -0.035 0.000 1.058 297 A CA 0.656 52.674 52.037 -0.033 0.000 0.729 297 A CB 0.915 19.899 19.000 -0.026 0.000 1.285 297 A HN 1.999 nan 8.150 nan 0.000 0.396 298 G N 0.490 109.268 108.800 -0.037 0.000 3.259 298 G HA2 0.769 4.729 3.960 -0.000 0.000 0.178 298 G HA3 0.769 4.729 3.960 -0.000 0.000 0.178 298 G C -2.994 171.887 174.900 -0.030 0.000 1.129 298 G CA -1.238 43.840 45.100 -0.037 0.000 0.816 298 G HN 0.534 nan 8.290 nan 0.000 0.634 299 P HA 0.243 nan 4.420 nan 0.000 0.267 299 P C -1.914 175.374 177.300 -0.019 0.000 1.205 299 P CA -0.872 62.214 63.100 -0.022 0.000 0.765 299 P CB 1.333 33.020 31.700 -0.021 0.000 0.828 300 P HA -0.253 nan 4.420 nan 0.000 0.216 300 P C 1.099 178.396 177.300 -0.004 0.000 1.157 300 P CA 1.643 64.737 63.100 -0.010 0.000 0.880 300 P CB -0.152 31.545 31.700 -0.005 0.000 0.791 301 D N -0.773 119.629 120.400 0.002 0.000 2.264 301 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 301 D C 2.028 178.330 176.300 0.003 0.000 0.966 301 D CA 0.758 54.765 54.000 0.012 0.000 0.864 301 D CB -1.038 39.773 40.800 0.018 0.000 0.933 301 D HN 0.214 nan 8.370 nan 0.000 0.499 302 L N 0.352 121.569 121.223 -0.011 0.000 2.027 302 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 302 L C 2.984 179.841 176.870 -0.022 0.000 1.074 302 L CA 1.098 55.926 54.840 -0.020 0.000 0.745 302 L CB -0.195 41.843 42.059 -0.034 0.000 0.898 302 L HN -0.027 nan 8.230 nan 0.000 0.433 303 R N -0.035 120.450 120.500 -0.026 0.000 2.073 303 R HA -0.265 4.074 4.340 -0.000 0.000 0.234 303 R C 2.007 178.291 176.300 -0.027 0.000 1.134 303 R CA 2.152 58.233 56.100 -0.031 0.000 0.952 303 R CB -0.555 29.727 30.300 -0.031 0.000 0.850 303 R HN 0.358 nan 8.270 nan 0.000 0.433 304 D N 0.244 120.634 120.400 -0.016 0.000 2.239 304 D HA -0.186 4.454 4.640 -0.000 0.000 0.202 304 D C 1.699 177.990 176.300 -0.015 0.000 0.993 304 D CA 1.163 55.155 54.000 -0.012 0.000 0.874 304 D CB 0.018 40.828 40.800 0.016 0.000 0.922 304 D HN 0.352 nan 8.370 nan 0.000 0.464 305 L N -0.887 120.336 121.223 0.001 0.000 2.357 305 L HA 0.045 4.385 4.340 -0.000 0.000 0.211 305 L C 2.342 179.210 176.870 -0.004 0.000 1.075 305 L CA 0.124 54.974 54.840 0.017 0.000 0.830 305 L CB 0.061 42.145 42.059 0.041 0.000 0.996 305 L HN -0.030 nan 8.230 nan 0.000 0.467 306 V N 0.398 120.300 119.914 -0.019 0.000 2.358 306 V HA -0.258 3.861 4.120 -0.000 0.000 0.246 306 V C 2.778 178.853 176.094 -0.032 0.000 1.047 306 V CA 2.452 64.736 62.300 -0.026 0.000 1.035 306 V CB -0.574 31.225 31.823 -0.039 0.000 0.658 306 V HN 0.632 nan 8.190 nan 0.000 0.452 307 T N -3.696 110.831 114.554 -0.044 0.000 2.896 307 T HA -0.157 4.193 4.350 -0.000 0.000 0.263 307 T C 1.835 176.487 174.700 -0.080 0.000 1.050 307 T CA 1.807 63.873 62.100 -0.056 0.000 1.140 307 T CB -0.520 68.312 68.868 -0.060 0.000 0.877 307 T HN 0.391 nan 8.240 nan 0.000 0.457 308 T N 2.190 116.674 114.554 -0.117 0.000 2.737 308 T HA 0.179 4.529 4.350 -0.000 0.000 0.265 308 T C 1.898 176.508 174.700 -0.150 0.000 1.038 308 T CA 1.124 63.090 62.100 -0.224 0.000 1.144 308 T CB -0.459 68.169 68.868 -0.400 0.000 0.866 308 T HN 0.260 nan 8.240 nan 0.000 0.434 309 L N 0.533 121.727 121.223 -0.048 0.000 2.056 309 L HA 0.017 4.356 4.340 -0.000 0.000 0.207 309 L C 3.010 179.898 176.870 0.030 0.000 1.078 309 L CA 1.338 56.199 54.840 0.035 0.000 0.749 309 L CB -0.930 41.167 42.059 0.064 0.000 0.901 309 L HN 0.355 nan 8.230 nan 0.000 0.433 310 G N -0.444 108.358 108.800 0.004 0.000 2.432 310 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 310 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 310 G C 1.557 176.468 174.900 0.018 0.000 1.135 310 G CA 0.725 45.828 45.100 0.006 0.000 0.767 310 G HN 0.499 nan 8.290 nan 0.000 0.550 311 G N 0.957 109.756 108.800 -0.001 0.000 2.408 311 G HA2 0.081 4.041 3.960 -0.000 0.000 0.217 311 G HA3 0.081 4.041 3.960 -0.000 0.000 0.217 311 G C 1.991 176.955 174.900 0.106 0.000 1.150 311 G CA 1.418 46.524 45.100 0.010 0.000 0.776 311 G HN 0.599 nan 8.290 nan 0.000 0.542 312 A N 0.369 123.266 122.820 0.129 0.000 1.897 312 A HA 0.199 4.519 4.320 -0.000 0.000 0.215 312 A C 2.385 180.095 177.584 0.210 0.000 1.181 312 A CA 0.937 53.131 52.037 0.262 0.000 0.620 312 A CB -0.395 18.741 19.000 0.228 0.000 0.821 312 A HN 0.332 nan 8.150 nan 0.000 0.443 313 L N -0.472 120.826 121.223 0.124 0.000 1.989 313 L HA -0.205 4.134 4.340 -0.000 0.000 0.211 313 L C 2.571 179.508 176.870 0.112 0.000 1.071 313 L CA 1.567 56.460 54.840 0.087 0.000 0.749 313 L CB -0.474 41.615 42.059 0.050 0.000 0.890 313 L HN 0.415 nan 8.230 nan 0.000 0.431 314 L N -1.845 119.451 121.223 0.122 0.000 2.127 314 L HA -0.269 4.071 4.340 -0.000 0.000 0.211 314 L C 2.336 179.358 176.870 0.254 0.000 1.089 314 L CA 1.113 56.047 54.840 0.156 0.000 0.757 314 L CB -0.634 41.487 42.059 0.103 0.000 0.899 314 L HN 0.484 nan 8.230 nan 0.000 0.434 315 W N 0.472 121.793 121.300 0.035 0.000 2.381 315 W HA -0.165 4.495 4.660 -0.000 0.000 0.321 315 W C 2.290 178.828 176.519 0.032 0.000 1.196 315 W CA 0.921 58.284 57.345 0.029 0.000 1.304 315 W CB -0.615 28.856 29.460 0.018 0.000 1.166 315 W HN -0.104 nan 8.180 nan 0.000 0.473 316 L N 0.936 122.127 121.223 -0.052 0.000 2.013 316 L HA -0.236 4.103 4.340 -0.000 0.000 0.212 316 L C 2.528 179.343 176.870 -0.092 0.000 1.073 316 L CA 2.543 57.245 54.840 -0.230 0.000 0.753 316 L CB -1.857 40.116 42.059 -0.142 0.000 0.890 316 L HN 0.188 nan 8.230 nan 0.000 0.432 317 S N -0.260 115.455 115.700 0.024 0.000 2.537 317 S HA -0.060 4.410 4.470 -0.000 0.000 0.240 317 S C 1.333 175.945 174.600 0.019 0.000 0.981 317 S CA 0.811 59.054 58.200 0.071 0.000 0.948 317 S CB -0.594 62.727 63.200 0.202 0.000 0.759 317 S HN 0.723 nan 8.310 nan 0.000 0.531 318 G N 0.861 109.669 108.800 0.014 0.000 2.272 318 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.280 318 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.280 318 G C 0.186 175.020 174.900 -0.109 0.000 1.067 318 G CA 0.499 45.582 45.100 -0.028 0.000 0.902 318 G HN 0.661 nan 8.290 nan 0.000 0.500 319 H N -1.004 118.106 119.070 0.067 0.000 2.784 319 H HA 0.579 5.135 4.556 -0.000 0.000 0.273 319 H C 0.945 176.306 175.328 0.055 0.000 1.112 319 H CA 0.950 57.024 56.048 0.044 0.000 1.162 319 H CB 1.243 31.017 29.762 0.019 0.000 1.586 319 H HN 1.099 nan 8.280 nan 0.000 0.548 320 A N -0.714 122.216 122.820 0.183 0.000 2.532 320 A HA 0.463 4.783 4.320 -0.000 0.000 0.296 320 A C 1.195 178.862 177.584 0.139 0.000 1.058 320 A CA -0.024 52.089 52.037 0.126 0.000 0.729 320 A CB 0.476 19.536 19.000 0.100 0.000 1.285 320 A HN 0.201 nan 8.150 nan 0.000 0.396 321 G N 0.919 109.757 108.800 0.063 0.000 2.422 321 G HA2 0.230 4.190 3.960 -0.000 0.000 0.218 321 G HA3 0.230 4.190 3.960 -0.000 0.000 0.218 321 G C 0.852 175.705 174.900 -0.078 0.000 1.146 321 G CA 1.919 47.049 45.100 0.050 0.000 0.769 321 G HN 1.637 nan 8.290 nan 0.000 0.547 322 T N -4.038 110.391 114.554 -0.208 0.000 2.926 322 T HA 0.484 4.834 4.350 -0.000 0.000 0.289 322 T C 0.811 175.214 174.700 -0.495 0.000 1.054 322 T CA -0.297 61.507 62.100 -0.493 0.000 1.015 322 T CB 2.280 70.953 68.868 -0.324 0.000 1.167 322 T HN 0.083 nan 8.240 nan 0.000 0.526 323 Q N 0.189 119.570 119.800 -0.698 0.000 2.123 323 Q HA 0.021 4.361 4.340 -0.000 0.000 0.199 323 Q C 2.312 178.189 176.000 -0.206 0.000 0.966 323 Q CA 1.326 56.925 55.803 -0.339 0.000 0.845 323 Q CB -0.609 27.932 28.738 -0.328 0.000 0.907 323 Q HN 0.881 nan 8.270 nan 0.000 0.439 324 A N 0.979 123.658 122.820 -0.235 0.000 1.865 324 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 324 A C 2.019 179.534 177.584 -0.115 0.000 1.191 324 A CA 1.793 53.736 52.037 -0.157 0.000 0.623 324 A CB -0.943 17.968 19.000 -0.148 0.000 0.826 324 A HN 0.603 nan 8.150 nan 0.000 0.444 325 Q N -0.722 119.007 119.800 -0.119 0.000 2.077 325 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 325 Q C 2.065 178.035 176.000 -0.050 0.000 0.989 325 Q CA 1.992 57.751 55.803 -0.073 0.000 0.853 325 Q CB -0.582 28.118 28.738 -0.064 0.000 0.907 325 Q HN 0.619 nan 8.270 nan 0.000 0.418 326 G N 0.169 108.940 108.800 -0.048 0.000 2.421 326 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.216 326 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.216 326 G C 1.465 176.349 174.900 -0.028 0.000 1.171 326 G CA 0.991 46.086 45.100 -0.008 0.000 0.775 326 G HN 0.522 nan 8.290 nan 0.000 0.543 327 A N 1.018 123.805 122.820 -0.055 0.000 1.978 327 A HA 0.241 4.561 4.320 -0.000 0.000 0.220 327 A C 2.765 180.316 177.584 -0.055 0.000 1.170 327 A CA 2.237 54.235 52.037 -0.065 0.000 0.636 327 A CB -0.631 18.311 19.000 -0.097 0.000 0.810 327 A HN 0.794 nan 8.150 nan 0.000 0.448 328 A N -0.567 122.222 122.820 -0.052 0.000 1.930 328 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 328 A C 2.210 179.773 177.584 -0.035 0.000 1.175 328 A CA 1.258 53.269 52.037 -0.043 0.000 0.627 328 A CB -0.397 18.578 19.000 -0.042 0.000 0.815 328 A HN 0.378 nan 8.150 nan 0.000 0.443 329 R N -0.205 120.277 120.500 -0.031 0.000 2.081 329 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 329 R C 2.075 178.355 176.300 -0.033 0.000 1.131 329 R CA 1.586 57.669 56.100 -0.028 0.000 0.960 329 R CB -1.181 29.106 30.300 -0.022 0.000 0.856 329 R HN 0.455 nan 8.270 nan 0.000 0.436 330 V N 0.931 120.824 119.914 -0.034 0.000 2.515 330 V HA -0.138 3.981 4.120 -0.000 0.000 0.250 330 V C 2.518 178.589 176.094 -0.038 0.000 1.058 330 V CA 1.596 63.873 62.300 -0.037 0.000 1.064 330 V CB -0.880 30.921 31.823 -0.036 0.000 0.675 330 V HN 0.266 nan 8.190 nan 0.000 0.461 331 A N 0.310 123.107 122.820 -0.038 0.000 1.930 331 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 331 A C 2.456 180.020 177.584 -0.033 0.000 1.175 331 A CA 1.831 53.845 52.037 -0.037 0.000 0.627 331 A CB -0.710 18.267 19.000 -0.038 0.000 0.815 331 A HN 0.542 nan 8.150 nan 0.000 0.443 332 A N 0.225 123.027 122.820 -0.030 0.000 1.865 332 A HA 0.069 4.388 4.320 -0.000 0.000 0.217 332 A C 2.547 180.116 177.584 -0.026 0.000 1.191 332 A CA 2.450 54.471 52.037 -0.026 0.000 0.623 332 A CB -1.278 17.707 19.000 -0.024 0.000 0.826 332 A HN 1.213 nan 8.150 nan 0.000 0.444 333 A N -0.401 122.402 122.820 -0.028 0.000 1.958 333 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 333 A C 2.106 179.674 177.584 -0.028 0.000 1.178 333 A CA 1.788 53.810 52.037 -0.026 0.000 0.642 333 A CB -0.697 18.285 19.000 -0.030 0.000 0.816 333 A HN 0.524 nan 8.150 nan 0.000 0.453 334 L N -1.023 120.180 121.223 -0.033 0.000 2.376 334 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 334 L C 1.217 178.068 176.870 -0.032 0.000 1.133 334 L CA 0.994 55.811 54.840 -0.038 0.000 0.816 334 L CB -0.285 41.748 42.059 -0.043 0.000 0.933 334 L HN 0.377 nan 8.230 nan 0.000 0.449 335 D N -0.851 119.533 120.400 -0.026 0.000 2.423 335 D HA -0.064 4.575 4.640 -0.000 0.000 0.212 335 D C 1.246 177.536 176.300 -0.017 0.000 1.060 335 D CA 0.690 54.677 54.000 -0.022 0.000 0.872 335 D CB 0.290 41.078 40.800 -0.021 0.000 1.012 335 D HN 0.443 nan 8.370 nan 0.000 0.503 336 D N -0.318 120.073 120.400 -0.015 0.000 2.327 336 D HA 0.118 4.757 4.640 -0.000 0.000 0.205 336 D C 1.650 177.946 176.300 -0.007 0.000 0.989 336 D CA 1.043 55.037 54.000 -0.010 0.000 0.873 336 D CB 0.098 40.892 40.800 -0.010 0.000 0.955 336 D HN 0.172 nan 8.370 nan 0.000 0.515 337 G N -0.141 108.655 108.800 -0.007 0.000 2.184 337 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.206 337 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.206 337 G C 1.297 176.202 174.900 0.008 0.000 0.995 337 G CA 0.742 45.842 45.100 0.000 0.000 0.651 337 G HN 0.592 nan 8.290 nan 0.000 0.511 338 S N 0.571 116.272 115.700 0.002 0.000 2.383 338 S HA 0.144 4.614 4.470 -0.000 0.000 0.229 338 S C 2.616 177.225 174.600 0.016 0.000 1.030 338 S CA 1.982 60.185 58.200 0.005 0.000 1.002 338 S CB -0.555 62.642 63.200 -0.006 0.000 0.829 338 S HN 1.759 nan 8.310 nan 0.000 0.467 339 A N 2.119 124.945 122.820 0.009 0.000 1.858 339 A HA 0.116 4.436 4.320 -0.000 0.000 0.216 339 A C 2.297 179.922 177.584 0.069 0.000 1.190 339 A CA 1.411 53.461 52.037 0.021 0.000 0.617 339 A CB -1.011 17.980 19.000 -0.015 0.000 0.827 339 A HN 0.512 nan 8.150 nan 0.000 0.443 340 L N -0.679 120.574 121.223 0.049 0.000 2.081 340 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 340 L C 2.587 179.556 176.870 0.165 0.000 1.080 340 L CA 1.469 56.370 54.840 0.102 0.000 0.754 340 L CB -0.634 41.456 42.059 0.052 0.000 0.893 340 L HN 0.513 nan 8.230 nan 0.000 0.433 341 G N -0.880 107.977 108.800 0.095 0.000 2.434 341 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.214 341 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.214 341 G C 1.502 176.451 174.900 0.081 0.000 1.202 341 G CA 0.576 45.720 45.100 0.074 0.000 0.788 341 G HN 0.198 nan 8.290 nan 0.000 0.539 342 R N -0.240 120.304 120.500 0.075 0.000 2.134 342 R HA -0.143 4.197 4.340 -0.000 0.000 0.248 342 R C 2.204 178.570 176.300 0.110 0.000 1.143 342 R CA 1.570 57.710 56.100 0.066 0.000 0.957 342 R CB -1.082 29.251 30.300 0.055 0.000 0.867 342 R HN 0.417 nan 8.270 nan 0.000 0.441 343 F N 1.158 121.110 119.950 0.004 0.000 2.134 343 F HA -0.136 4.390 4.527 -0.000 0.000 0.299 343 F C 2.139 177.959 175.800 0.034 0.000 1.097 343 F CA 1.778 59.789 58.000 0.019 0.000 1.264 343 F CB -0.244 38.762 39.000 0.010 0.000 1.001 343 F HN 0.139 nan 8.300 nan 0.000 0.479 344 E N -0.306 119.908 120.200 0.024 0.000 2.204 344 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 344 E C 2.162 178.700 176.600 -0.104 0.000 0.989 344 E CA 0.476 56.828 56.400 -0.080 0.000 0.824 344 E CB 0.070 29.790 29.700 0.033 0.000 0.756 344 E HN 0.244 nan 8.360 nan 0.000 0.477 345 R N 0.369 120.833 120.500 -0.061 0.000 2.070 345 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 345 R C 2.293 178.541 176.300 -0.087 0.000 1.138 345 R CA 1.622 57.691 56.100 -0.052 0.000 0.936 345 R CB -0.731 29.556 30.300 -0.022 0.000 0.839 345 R HN 0.242 nan 8.270 nan 0.000 0.429 346 M N 0.195 119.730 119.600 -0.108 0.000 2.110 346 M HA -0.264 4.216 4.480 -0.000 0.000 0.257 346 M C 1.851 178.066 176.300 -0.141 0.000 1.071 346 M CA 1.892 57.126 55.300 -0.110 0.000 1.096 346 M CB -0.307 32.242 32.600 -0.085 0.000 1.300 346 M HN 0.135 nan 8.290 nan 0.000 0.411 347 L N -0.170 120.925 121.223 -0.214 0.000 1.997 347 L HA -0.258 4.081 4.340 -0.000 0.000 0.216 347 L C 2.738 179.542 176.870 -0.110 0.000 1.074 347 L CA 1.681 56.460 54.840 -0.103 0.000 0.763 347 L CB -1.285 40.659 42.059 -0.191 0.000 0.890 347 L HN 0.457 nan 8.230 nan 0.000 0.434 348 A N -0.122 122.634 122.820 -0.108 0.000 1.877 348 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 348 A C 2.526 180.052 177.584 -0.097 0.000 1.186 348 A CA 1.891 53.879 52.037 -0.081 0.000 0.620 348 A CB -0.796 18.169 19.000 -0.058 0.000 0.822 348 A HN 0.436 nan 8.150 nan 0.000 0.443 349 A N -1.182 121.577 122.820 -0.102 0.000 1.933 349 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 349 A C 1.950 179.443 177.584 -0.151 0.000 1.175 349 A CA 1.478 53.457 52.037 -0.097 0.000 0.628 349 A CB -0.393 18.565 19.000 -0.070 0.000 0.814 349 A HN 0.614 nan 8.150 nan 0.000 0.444 350 Q N -1.571 118.081 119.800 -0.247 0.000 2.228 350 Q HA 0.299 4.639 4.340 -0.000 0.000 0.211 350 Q C 1.001 176.717 176.000 -0.473 0.000 0.890 350 Q CA 0.342 55.889 55.803 -0.427 0.000 0.953 350 Q CB 0.184 28.479 28.738 -0.739 0.000 1.053 350 Q HN 0.812 nan 8.270 nan 0.000 0.471 351 G N -0.510 108.131 108.800 -0.264 0.000 2.796 351 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.198 351 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.198 351 G C 0.135 174.979 174.900 -0.092 0.000 1.062 351 G CA -0.263 44.727 45.100 -0.183 0.000 0.752 351 G HN 0.181 nan 8.290 nan 0.000 0.487 352 V N 2.660 122.535 119.914 -0.065 0.000 2.673 352 V HA 0.368 4.488 4.120 -0.000 0.000 0.303 352 V C 0.746 176.828 176.094 -0.020 0.000 1.046 352 V CA 0.450 62.748 62.300 -0.003 0.000 1.126 352 V CB 1.211 33.054 31.823 0.033 0.000 0.934 352 V HN 0.552 nan 8.190 nan 0.000 0.487 353 D N 5.993 126.389 120.400 -0.008 0.000 2.450 353 D HA 0.101 4.741 4.640 -0.000 0.000 0.247 353 D C -1.470 174.825 176.300 -0.009 0.000 1.162 353 D CA -1.164 52.829 54.000 -0.010 0.000 0.879 353 D CB 1.386 42.184 40.800 -0.003 0.000 1.163 353 D HN 0.254 nan 8.370 nan 0.000 0.472 354 P HA -0.139 nan 4.420 nan 0.000 0.217 354 P C 1.331 178.629 177.300 -0.002 0.000 1.151 354 P CA 1.661 64.754 63.100 -0.012 0.000 0.849 354 P CB 0.040 31.732 31.700 -0.013 0.000 0.787 355 G N 0.036 108.836 108.800 0.000 0.000 2.476 355 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 355 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 355 G C 1.429 176.335 174.900 0.010 0.000 1.164 355 G CA 0.465 45.568 45.100 0.005 0.000 0.768 355 G HN 0.189 nan 8.290 nan 0.000 0.560 356 L N 1.356 122.586 121.223 0.011 0.000 1.961 356 L HA 0.022 4.362 4.340 -0.000 0.000 0.210 356 L C 3.249 180.134 176.870 0.024 0.000 1.072 356 L CA 2.480 57.331 54.840 0.019 0.000 0.749 356 L CB -1.484 40.587 42.059 0.021 0.000 0.889 356 L HN 0.330 nan 8.230 nan 0.000 0.432 357 A N 0.075 122.904 122.820 0.016 0.000 1.894 357 A HA -0.368 3.952 4.320 -0.000 0.000 0.220 357 A C 2.477 180.080 177.584 0.031 0.000 1.237 357 A CA 2.776 54.821 52.037 0.013 0.000 0.660 357 A CB -0.869 18.119 19.000 -0.020 0.000 0.835 357 A HN 0.527 nan 8.150 nan 0.000 0.461 358 R N -0.755 119.758 120.500 0.022 0.000 2.080 358 R HA -0.116 4.224 4.340 -0.000 0.000 0.236 358 R C 2.398 178.718 176.300 0.034 0.000 1.137 358 R CA 1.823 57.939 56.100 0.028 0.000 0.943 358 R CB -0.546 29.764 30.300 0.018 0.000 0.846 358 R HN 0.499 nan 8.270 nan 0.000 0.431 359 A N 0.599 123.436 122.820 0.029 0.000 1.940 359 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 359 A C 2.199 179.806 177.584 0.038 0.000 1.176 359 A CA 1.372 53.426 52.037 0.029 0.000 0.631 359 A CB -0.623 18.390 19.000 0.023 0.000 0.814 359 A HN 0.430 nan 8.150 nan 0.000 0.446 360 L N -1.043 120.211 121.223 0.051 0.000 2.093 360 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 360 L C 2.447 179.370 176.870 0.088 0.000 1.085 360 L CA 1.401 56.283 54.840 0.071 0.000 0.755 360 L CB -0.214 41.900 42.059 0.093 0.000 0.904 360 L HN 0.565 nan 8.230 nan 0.000 0.435 361 C N -2.106 117.253 119.300 0.098 0.000 2.564 361 C HA -0.009 4.451 4.460 -0.000 0.000 0.281 361 C C 2.855 177.881 174.990 0.059 0.000 1.314 361 C CA 0.446 59.527 59.018 0.106 0.000 1.706 361 C CB -0.312 27.510 27.740 0.138 0.000 2.109 361 C HN 0.413 nan 8.230 nan 0.000 0.502 362 S N 0.540 116.269 115.700 0.047 0.000 2.474 362 S HA 0.075 4.545 4.470 -0.000 0.000 0.235 362 S C 1.228 175.842 174.600 0.024 0.000 0.997 362 S CA 0.616 58.834 58.200 0.030 0.000 0.949 362 S CB -0.491 62.724 63.200 0.025 0.000 0.766 362 S HN 0.741 nan 8.310 nan 0.000 0.517 363 G N 1.703 110.520 108.800 0.028 0.000 2.664 363 G HA2 0.346 4.306 3.960 -0.000 0.000 0.242 363 G HA3 0.346 4.306 3.960 -0.000 0.000 0.242 363 G C 0.040 174.948 174.900 0.013 0.000 1.225 363 G CA -0.279 44.834 45.100 0.021 0.000 0.849 363 G HN 0.430 nan 8.290 nan 0.000 0.581 364 S N 0.604 116.310 115.700 0.009 0.000 2.690 364 S HA 0.483 4.953 4.470 -0.000 0.000 0.291 364 S C -1.997 172.604 174.600 0.002 0.000 1.138 364 S CA -1.343 56.859 58.200 0.004 0.000 1.013 364 S CB 2.267 65.469 63.200 0.003 0.000 1.053 364 S HN 0.217 nan 8.310 nan 0.000 0.539 365 P HA 0.001 nan 4.420 nan 0.000 0.227 365 P C 0.820 178.120 177.300 -0.000 0.000 1.145 365 P CA 1.264 64.361 63.100 -0.005 0.000 0.769 365 P CB -0.110 31.585 31.700 -0.009 0.000 0.769 366 A N -0.724 122.098 122.820 0.003 0.000 1.909 366 A HA -0.023 4.297 4.320 -0.000 0.000 0.209 366 A C 2.244 179.833 177.584 0.008 0.000 1.247 366 A CA 0.727 52.768 52.037 0.006 0.000 0.660 366 A CB -0.860 18.143 19.000 0.005 0.000 0.910 366 A HN 0.036 nan 8.150 nan 0.000 0.465 367 E N 0.578 120.783 120.200 0.008 0.000 2.160 367 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 367 E C 2.031 178.639 176.600 0.013 0.000 0.991 367 E CA 1.484 57.891 56.400 0.011 0.000 0.810 367 E CB -0.214 29.493 29.700 0.012 0.000 0.742 367 E HN 0.557 nan 8.360 nan 0.000 0.466 368 R N -0.541 119.967 120.500 0.013 0.000 2.092 368 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 368 R C 2.493 178.800 176.300 0.012 0.000 1.119 368 R CA 1.394 57.503 56.100 0.015 0.000 0.970 368 R CB -0.265 30.042 30.300 0.012 0.000 0.864 368 R HN 0.072 nan 8.270 nan 0.000 0.440 369 R N 1.025 121.531 120.500 0.009 0.000 2.120 369 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 369 R C 2.131 178.439 176.300 0.014 0.000 1.123 369 R CA 1.670 57.776 56.100 0.010 0.000 0.975 369 R CB -0.070 30.238 30.300 0.014 0.000 0.866 369 R HN 0.225 nan 8.270 nan 0.000 0.446 370 Q N -0.410 119.399 119.800 0.014 0.000 2.389 370 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 370 Q C 0.802 176.811 176.000 0.015 0.000 0.944 370 Q CA 0.596 56.407 55.803 0.014 0.000 0.908 370 Q CB 0.353 29.099 28.738 0.012 0.000 1.002 370 Q HN 0.311 nan 8.270 nan 0.000 0.493 371 L N 0.104 121.337 121.223 0.016 0.000 2.567 371 L HA 0.256 4.596 4.340 -0.000 0.000 0.225 371 L C 0.301 177.182 176.870 0.019 0.000 1.119 371 L CA 0.636 55.487 54.840 0.018 0.000 0.871 371 L CB 0.215 42.288 42.059 0.023 0.000 1.036 371 L HN 0.096 nan 8.230 nan 0.000 0.459 372 L N -0.951 120.282 121.223 0.016 0.000 2.319 372 L HA 0.471 4.811 4.340 -0.000 0.000 0.267 372 L C -2.119 174.758 176.870 0.011 0.000 1.011 372 L CA -2.132 52.716 54.840 0.013 0.000 0.818 372 L CB 1.199 43.263 42.059 0.009 0.000 1.316 372 L HN -0.248 nan 8.230 nan 0.000 0.432 373 P HA 0.033 nan 4.420 nan 0.000 0.261 373 P C -1.138 176.173 177.300 0.017 0.000 1.173 373 P CA 0.362 63.469 63.100 0.012 0.000 0.760 373 P CB 0.335 32.041 31.700 0.008 0.000 0.783 374 R N 2.098 122.614 120.500 0.027 0.000 2.873 374 R HA 0.859 5.199 4.340 -0.000 0.000 0.264 374 R C -0.539 175.793 176.300 0.053 0.000 1.026 374 R CA -1.165 54.963 56.100 0.047 0.000 1.002 374 R CB 1.605 31.932 30.300 0.045 0.000 1.174 374 R HN 0.378 nan 8.270 nan 0.000 0.488 375 A N 0.790 123.660 122.820 0.083 0.000 2.311 375 A HA 0.392 4.712 4.320 -0.000 0.000 0.334 375 A C 0.915 178.524 177.584 0.042 0.000 1.139 375 A CA -0.671 51.409 52.037 0.071 0.000 0.830 375 A CB 1.394 20.462 19.000 0.114 0.000 1.234 375 A HN 0.859 nan 8.150 nan 0.000 0.483 376 R N -0.221 120.294 120.500 0.024 0.000 2.103 376 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 376 R C 0.203 176.498 176.300 -0.008 0.000 1.132 376 R CA 2.050 58.154 56.100 0.008 0.000 0.925 376 R CB 0.037 30.340 30.300 0.006 0.000 0.842 376 R HN 0.832 nan 8.270 nan 0.000 0.430 377 E N -0.903 119.285 120.200 -0.019 0.000 2.356 377 E HA 0.135 4.485 4.350 -0.000 0.000 0.275 377 E C -1.749 174.805 176.600 -0.077 0.000 0.904 377 E CA -0.550 55.824 56.400 -0.044 0.000 0.757 377 E CB 2.026 31.706 29.700 -0.034 0.000 1.232 377 E HN 0.220 nan 8.360 nan 0.000 0.442 378 Q N 2.156 121.880 119.800 -0.127 0.000 2.271 378 Q HA 0.442 4.782 4.340 -0.000 0.000 0.268 378 Q C -1.123 174.766 176.000 -0.186 0.000 1.021 378 Q CA -0.844 54.829 55.803 -0.217 0.000 0.802 378 Q CB 2.218 30.686 28.738 -0.449 0.000 1.282 378 Q HN 0.352 nan 8.270 nan 0.000 0.431 379 E N 1.795 121.899 120.200 -0.159 0.000 2.254 379 E HA 0.498 4.848 4.350 -0.000 0.000 0.258 379 E C -0.843 175.659 176.600 -0.164 0.000 1.033 379 E CA -1.009 55.312 56.400 -0.131 0.000 0.893 379 E CB 1.480 31.124 29.700 -0.093 0.000 1.204 379 E HN 0.535 nan 8.360 nan 0.000 0.425 380 E N 0.868 120.980 120.200 -0.147 0.000 2.260 380 E HA 0.278 4.627 4.350 -0.000 0.000 0.266 380 E C -1.121 175.370 176.600 -0.181 0.000 0.887 380 E CA -0.384 55.903 56.400 -0.188 0.000 0.777 380 E CB 1.655 31.265 29.700 -0.149 0.000 1.205 380 E HN 0.264 nan 8.360 nan 0.000 0.414 381 L N 4.235 125.275 121.223 -0.304 0.000 2.290 381 L HA 0.352 4.692 4.340 -0.000 0.000 0.284 381 L C -0.144 176.656 176.870 -0.117 0.000 1.078 381 L CA -0.494 54.218 54.840 -0.212 0.000 0.815 381 L CB 0.242 42.125 42.059 -0.294 0.000 1.162 381 L HN 0.361 nan 8.230 nan 0.000 0.435 382 L N 3.371 124.662 121.223 0.113 0.000 2.349 382 L HA 0.414 4.754 4.340 -0.000 0.000 0.275 382 L C 0.797 177.895 176.870 0.381 0.000 1.115 382 L CA -0.428 54.534 54.840 0.204 0.000 0.820 382 L CB 1.110 43.234 42.059 0.108 0.000 1.135 382 L HN 0.696 nan 8.230 nan 0.000 0.445 383 A N 5.642 128.696 122.820 0.390 0.000 2.546 383 A HA 0.218 4.538 4.320 -0.000 0.000 0.243 383 A C -1.370 176.265 177.584 0.086 0.000 1.063 383 A CA -0.778 51.373 52.037 0.191 0.000 0.757 383 A CB -0.136 18.929 19.000 0.108 0.000 0.991 383 A HN 0.673 nan 8.150 nan 0.000 0.503 384 P HA 0.190 nan 4.420 nan 0.000 0.230 384 P C 0.163 177.458 177.300 -0.007 0.000 1.168 384 P CA 1.391 64.497 63.100 0.010 0.000 0.793 384 P CB 0.352 32.048 31.700 -0.007 0.000 0.851 385 A N -0.367 122.437 122.820 -0.027 0.000 2.589 385 A HA 0.409 4.729 4.320 -0.000 0.000 0.296 385 A C -1.519 176.050 177.584 -0.025 0.000 1.062 385 A CA -0.562 51.461 52.037 -0.022 0.000 0.686 385 A CB 0.350 19.333 19.000 -0.029 0.000 1.282 385 A HN -0.192 nan 8.150 nan 0.000 0.404 386 D N 0.373 120.765 120.400 -0.013 0.000 2.493 386 D HA 0.439 5.079 4.640 -0.000 0.000 0.240 386 D C 0.668 176.957 176.300 -0.018 0.000 1.142 386 D CA 2.605 56.599 54.000 -0.010 0.000 0.872 386 D CB 0.780 41.578 40.800 -0.004 0.000 1.173 386 D HN 0.955 nan 8.370 nan 0.000 0.467 387 G N 0.638 109.426 108.800 -0.021 0.000 2.550 387 G HA2 0.457 4.417 3.960 -0.000 0.000 0.293 387 G HA3 0.457 4.417 3.960 -0.000 0.000 0.293 387 G C -1.245 173.645 174.900 -0.018 0.000 1.402 387 G CA -0.717 44.370 45.100 -0.022 0.000 0.784 387 G HN 0.266 nan 8.290 nan 0.000 0.482 388 T N 1.364 115.917 114.554 -0.002 0.000 2.821 388 T HA 0.397 4.747 4.350 -0.000 0.000 0.307 388 T C 0.402 175.108 174.700 0.010 0.000 1.034 388 T CA -0.215 61.891 62.100 0.010 0.000 0.953 388 T CB 1.057 69.965 68.868 0.067 0.000 0.968 388 T HN 0.644 nan 8.240 nan 0.000 0.462 389 V N 4.354 124.243 119.914 -0.041 0.000 2.725 389 V HA -0.070 4.050 4.120 -0.000 0.000 0.283 389 V C 1.632 177.742 176.094 0.027 0.000 0.977 389 V CA 0.584 62.855 62.300 -0.048 0.000 1.184 389 V CB -0.550 31.230 31.823 -0.071 0.000 0.863 389 V HN 0.819 nan 8.190 nan 0.000 0.459 390 E N 4.331 124.571 120.200 0.067 0.000 2.122 390 E HA 0.220 4.570 4.350 -0.000 0.000 0.190 390 E C 0.293 176.975 176.600 0.137 0.000 0.977 390 E CA 0.859 57.360 56.400 0.168 0.000 0.820 390 E CB 0.291 30.045 29.700 0.091 0.000 0.770 390 E HN 0.776 nan 8.360 nan 0.000 0.462 391 L N -3.965 117.285 121.223 0.045 0.000 3.028 391 L HA 0.352 4.692 4.340 -0.000 0.000 0.244 391 L C -1.719 175.144 176.870 -0.012 0.000 0.986 391 L CA -0.985 53.875 54.840 0.033 0.000 1.031 391 L CB 1.087 43.173 42.059 0.046 0.000 1.502 391 L HN -0.359 nan 8.230 nan 0.000 0.414 392 V N 2.318 122.240 119.914 0.013 0.000 2.347 392 V HA 0.506 4.626 4.120 -0.000 0.000 0.280 392 V C 0.282 176.398 176.094 0.037 0.000 1.021 392 V CA -0.436 61.877 62.300 0.022 0.000 0.847 392 V CB 1.207 33.104 31.823 0.123 0.000 0.990 392 V HN 0.702 nan 8.190 nan 0.000 0.444 393 R N 3.561 124.073 120.500 0.019 0.000 2.483 393 R HA 0.162 4.502 4.340 -0.000 0.000 0.329 393 R C 1.195 177.522 176.300 0.044 0.000 0.961 393 R CA 0.700 56.814 56.100 0.023 0.000 1.041 393 R CB 0.240 30.547 30.300 0.011 0.000 0.930 393 R HN 0.868 nan 8.270 nan 0.000 0.413 394 A N 4.763 127.604 122.820 0.035 0.000 1.841 394 A HA -0.179 4.141 4.320 -0.000 0.000 0.214 394 A C 1.754 179.363 177.584 0.041 0.000 1.195 394 A CA 1.171 53.233 52.037 0.042 0.000 0.611 394 A CB -0.621 18.397 19.000 0.030 0.000 0.835 394 A HN 0.660 nan 8.150 nan 0.000 0.443 395 L N 0.726 121.962 121.223 0.021 0.000 1.997 395 L HA -0.179 4.161 4.340 -0.000 0.000 0.227 395 L C -0.612 176.244 176.870 -0.024 0.000 1.087 395 L CA 3.071 57.898 54.840 -0.021 0.000 0.797 395 L CB -1.624 40.403 42.059 -0.054 0.000 0.902 395 L HN 0.180 nan 8.230 nan 0.000 0.441 396 P HA -0.187 nan 4.420 nan 0.000 0.216 396 P C 1.923 179.245 177.300 0.037 0.000 1.153 396 P CA 1.332 64.438 63.100 0.010 0.000 0.858 396 P CB -0.150 31.567 31.700 0.028 0.000 0.789 397 L N -0.311 120.948 121.223 0.059 0.000 2.017 397 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 397 L C 2.213 179.120 176.870 0.062 0.000 1.073 397 L CA 2.147 57.030 54.840 0.072 0.000 0.745 397 L CB -1.680 40.432 42.059 0.088 0.000 0.894 397 L HN -0.116 nan 8.230 nan 0.000 0.432 398 A N -0.475 122.386 122.820 0.067 0.000 1.865 398 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 398 A C 2.316 179.967 177.584 0.113 0.000 1.191 398 A CA 2.090 54.190 52.037 0.104 0.000 0.623 398 A CB -0.991 18.114 19.000 0.174 0.000 0.826 398 A HN 0.496 nan 8.150 nan 0.000 0.444 399 L N -0.770 120.479 121.223 0.043 0.000 2.012 399 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 399 L C 2.599 179.506 176.870 0.063 0.000 1.073 399 L CA 1.274 56.119 54.840 0.009 0.000 0.748 399 L CB -0.547 41.467 42.059 -0.075 0.000 0.891 399 L HN 0.272 nan 8.230 nan 0.000 0.431 400 V N -0.381 119.566 119.914 0.056 0.000 2.295 400 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 400 V C 2.442 178.587 176.094 0.084 0.000 1.049 400 V CA 1.349 63.686 62.300 0.063 0.000 1.024 400 V CB -0.311 31.542 31.823 0.051 0.000 0.648 400 V HN 0.241 nan 8.190 nan 0.000 0.447 401 L N -0.252 121.019 121.223 0.081 0.000 2.021 401 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 401 L C 2.367 179.299 176.870 0.104 0.000 1.074 401 L CA 2.498 57.380 54.840 0.070 0.000 0.760 401 L CB -1.657 40.427 42.059 0.042 0.000 0.889 401 L HN 0.533 nan 8.230 nan 0.000 0.433 402 H N -0.399 118.692 119.070 0.035 0.000 2.357 402 H HA -0.199 4.357 4.556 -0.000 0.000 0.296 402 H C 2.118 177.473 175.328 0.044 0.000 1.108 402 H CA 2.054 58.131 56.048 0.049 0.000 1.273 402 H CB 0.252 30.051 29.762 0.061 0.000 1.367 402 H HN 0.468 nan 8.280 nan 0.000 0.498 403 E N -0.107 120.228 120.200 0.225 0.000 2.268 403 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 403 E C 1.630 178.283 176.600 0.088 0.000 0.995 403 E CA 0.735 57.223 56.400 0.147 0.000 0.836 403 E CB 0.135 29.891 29.700 0.095 0.000 0.763 403 E HN 0.561 nan 8.360 nan 0.000 0.491 404 L N -0.641 120.625 121.223 0.072 0.000 2.599 404 L HA 0.155 4.495 4.340 -0.000 0.000 0.230 404 L C 1.329 178.221 176.870 0.037 0.000 1.141 404 L CA 0.412 55.282 54.840 0.048 0.000 0.877 404 L CB 0.197 42.283 42.059 0.044 0.000 1.009 404 L HN 0.281 nan 8.230 nan 0.000 0.447 405 G N -0.798 108.017 108.800 0.025 0.000 2.192 405 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.193 405 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.193 405 G C 0.831 175.739 174.900 0.014 0.000 0.999 405 G CA 0.149 45.254 45.100 0.008 0.000 0.659 405 G HN 0.334 nan 8.290 nan 0.000 0.503 406 A N 0.033 122.860 122.820 0.012 0.000 2.132 406 A HA 0.624 4.944 4.320 -0.000 0.000 0.213 406 A C 1.557 179.134 177.584 -0.011 0.000 1.154 406 A CA 1.727 53.803 52.037 0.063 0.000 0.753 406 A CB 0.115 19.099 19.000 -0.027 0.000 0.826 406 A HN 1.725 nan 8.150 nan 0.000 0.469 407 G N 0.209 108.816 108.800 -0.322 0.000 3.039 407 G HA2 0.410 4.370 3.960 -0.000 0.000 0.329 407 G HA3 0.410 4.370 3.960 -0.000 0.000 0.329 407 G C -0.008 174.407 174.900 -0.807 0.000 1.361 407 G CA -0.630 43.943 45.100 -0.878 0.000 1.088 407 G HN 0.283 nan 8.290 nan 0.000 0.501 408 R N 2.385 122.725 120.500 -0.266 0.000 3.152 408 R HA 0.074 4.413 4.340 -0.000 0.000 0.209 408 R C 0.071 176.368 176.300 -0.005 0.000 1.649 408 R CA 0.041 56.081 56.100 -0.100 0.000 1.185 408 R CB -0.125 30.152 30.300 -0.037 0.000 1.258 408 R HN 0.282 nan 8.270 nan 0.000 0.656 409 S N 2.359 118.120 115.700 0.101 0.000 2.593 409 S HA 0.102 4.572 4.470 -0.000 0.000 0.217 409 S C 1.398 176.078 174.600 0.134 0.000 0.966 409 S CA -0.216 58.133 58.200 0.249 0.000 0.914 409 S CB -0.032 63.496 63.200 0.548 0.000 0.776 409 S HN 0.483 nan 8.310 nan 0.000 0.523 410 R N 1.449 122.002 120.500 0.089 0.000 2.057 410 R HA 0.370 4.710 4.340 -0.000 0.000 0.224 410 R C 0.922 177.251 176.300 0.048 0.000 1.136 410 R CA 1.097 57.234 56.100 0.063 0.000 0.968 410 R CB -0.527 29.802 30.300 0.048 0.000 0.863 410 R HN 0.394 nan 8.270 nan 0.000 0.433 411 A N -2.583 120.262 122.820 0.041 0.000 3.201 411 A HA 0.554 4.874 4.320 -0.000 0.000 0.303 411 A C -0.005 177.600 177.584 0.034 0.000 1.173 411 A CA -0.046 52.012 52.037 0.035 0.000 0.621 411 A CB -0.027 18.989 19.000 0.028 0.000 1.468 411 A HN 0.157 nan 8.150 nan 0.000 0.632 412 G N 0.918 109.736 108.800 0.030 0.000 3.639 412 G HA2 0.428 4.388 3.960 -0.000 0.000 0.279 412 G HA3 0.428 4.388 3.960 -0.000 0.000 0.279 412 G C 0.236 175.146 174.900 0.016 0.000 1.312 412 G CA 0.495 45.612 45.100 0.029 0.000 1.355 412 G HN 0.811 nan 8.290 nan 0.000 0.595 413 E N 0.756 120.963 120.200 0.011 0.000 2.391 413 E HA 0.374 4.724 4.350 -0.000 0.000 0.255 413 E C -2.259 174.332 176.600 -0.014 0.000 1.187 413 E CA -1.696 54.704 56.400 0.000 0.000 0.941 413 E CB 0.668 30.369 29.700 0.002 0.000 1.010 413 E HN 0.075 nan 8.360 nan 0.000 0.458 414 P HA 0.156 nan 4.420 nan 0.000 0.276 414 P C -0.944 176.318 177.300 -0.063 0.000 1.261 414 P CA -0.514 62.559 63.100 -0.045 0.000 0.800 414 P CB 0.762 32.440 31.700 -0.036 0.000 1.066 415 L N 0.796 121.952 121.223 -0.112 0.000 2.304 415 L HA 0.446 4.786 4.340 -0.000 0.000 0.268 415 L C 1.081 177.894 176.870 -0.095 0.000 1.010 415 L CA -0.683 54.078 54.840 -0.131 0.000 0.813 415 L CB 0.737 42.604 42.059 -0.320 0.000 1.315 415 L HN 0.276 nan 8.230 nan 0.000 0.445 416 R N 1.838 122.319 120.500 -0.032 0.000 2.522 416 R HA 0.316 4.656 4.340 -0.000 0.000 0.290 416 R C 0.514 176.840 176.300 0.043 0.000 1.216 416 R CA -0.197 55.905 56.100 0.003 0.000 1.250 416 R CB 0.081 30.395 30.300 0.024 0.000 1.143 416 R HN 0.530 nan 8.270 nan 0.000 0.553 417 L N 0.607 121.822 121.223 -0.013 0.000 2.642 417 L HA -0.062 4.278 4.340 -0.000 0.000 0.236 417 L C 1.854 178.766 176.870 0.069 0.000 1.169 417 L CA 0.854 55.714 54.840 0.033 0.000 0.851 417 L CB -0.269 41.760 42.059 -0.050 0.000 0.968 417 L HN 0.692 nan 8.230 nan 0.000 0.453 418 G N -0.434 108.394 108.800 0.048 0.000 2.490 418 G HA2 0.045 4.005 3.960 -0.000 0.000 0.211 418 G HA3 0.045 4.005 3.960 -0.000 0.000 0.211 418 G C 0.743 175.665 174.900 0.036 0.000 1.159 418 G CA -0.150 44.971 45.100 0.035 0.000 0.819 418 G HN 0.061 nan 8.290 nan 0.000 0.539 419 V N 1.202 121.150 119.914 0.058 0.000 2.928 419 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 419 V C 0.992 177.092 176.094 0.009 0.000 1.105 419 V CA 1.049 63.385 62.300 0.059 0.000 1.223 419 V CB 0.486 32.344 31.823 0.058 0.000 0.930 419 V HN 0.720 nan 8.190 nan 0.000 0.499 420 G N 2.110 110.912 108.800 0.003 0.000 2.315 420 G HA2 0.697 4.657 3.960 -0.000 0.000 0.294 420 G HA3 0.697 4.657 3.960 -0.000 0.000 0.294 420 G C -1.353 173.535 174.900 -0.020 0.000 1.300 420 G CA -0.031 45.027 45.100 -0.069 0.000 0.843 420 G HN 1.291 nan 8.290 nan 0.000 0.527 421 A N -0.647 122.142 122.820 -0.052 0.000 2.539 421 A HA 0.884 5.204 4.320 -0.000 0.000 0.296 421 A C -0.987 176.579 177.584 -0.030 0.000 1.073 421 A CA -0.522 51.519 52.037 0.007 0.000 0.700 421 A CB 1.800 20.793 19.000 -0.012 0.000 1.296 421 A HN 0.606 nan 8.150 nan 0.000 0.405 422 E N 1.407 121.610 120.200 0.005 0.000 2.216 422 E HA 0.379 4.729 4.350 -0.000 0.000 0.260 422 E C -1.287 175.294 176.600 -0.030 0.000 0.880 422 E CA -0.455 55.939 56.400 -0.011 0.000 0.765 422 E CB 1.972 31.693 29.700 0.035 0.000 1.174 422 E HN 0.578 nan 8.360 nan 0.000 0.417 423 L N 4.191 125.408 121.223 -0.009 0.000 2.410 423 L HA 0.076 4.416 4.340 -0.000 0.000 0.273 423 L C 0.827 177.710 176.870 0.022 0.000 1.144 423 L CA 0.166 55.021 54.840 0.025 0.000 0.863 423 L CB 0.432 42.532 42.059 0.069 0.000 1.140 423 L HN 0.586 nan 8.230 nan 0.000 0.463 424 L N 5.382 126.622 121.223 0.027 0.000 2.628 424 L HA 0.159 4.499 4.340 -0.000 0.000 0.229 424 L C 0.127 177.037 176.870 0.065 0.000 1.137 424 L CA -0.191 54.665 54.840 0.027 0.000 0.909 424 L CB -0.003 42.051 42.059 -0.008 0.000 1.137 424 L HN 0.510 nan 8.230 nan 0.000 0.470 425 V N -6.133 113.840 119.914 0.098 0.000 3.165 425 V HA 0.638 4.757 4.120 -0.000 0.000 0.309 425 V C -1.559 174.560 176.094 0.042 0.000 1.267 425 V CA -0.929 61.417 62.300 0.077 0.000 1.067 425 V CB 2.761 34.654 31.823 0.116 0.000 1.082 425 V HN -0.188 nan 8.190 nan 0.000 0.451 426 D N -0.038 120.359 120.400 -0.005 0.000 2.671 426 D HA 0.543 5.183 4.640 -0.000 0.000 0.232 426 D C -0.853 175.380 176.300 -0.111 0.000 1.114 426 D CA -0.234 53.739 54.000 -0.045 0.000 0.858 426 D CB 2.661 43.423 40.800 -0.063 0.000 1.544 426 D HN 0.582 nan 8.370 nan 0.000 0.471 427 V N 1.376 121.218 119.914 -0.119 0.000 2.599 427 V HA 0.355 4.475 4.120 -0.000 0.000 0.300 427 V C 1.556 177.289 176.094 -0.603 0.000 1.034 427 V CA 1.382 63.559 62.300 -0.205 0.000 1.115 427 V CB 0.631 32.436 31.823 -0.030 0.000 0.934 427 V HN 1.022 nan 8.190 nan 0.000 0.485 428 G N 3.159 111.347 108.800 -1.020 0.000 2.234 428 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.235 428 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.235 428 G C 0.350 174.912 174.900 -0.562 0.000 0.997 428 G CA 0.331 44.494 45.100 -1.561 0.000 0.623 428 G HN 0.732 nan 8.290 nan 0.000 0.514 429 Q N 0.570 120.166 119.800 -0.341 0.000 2.373 429 Q HA 0.479 4.819 4.340 -0.000 0.000 0.255 429 Q C 0.531 176.462 176.000 -0.116 0.000 0.980 429 Q CA -0.453 55.248 55.803 -0.170 0.000 0.882 429 Q CB 0.427 29.101 28.738 -0.106 0.000 1.249 429 Q HN 0.495 nan 8.270 nan 0.000 0.438 430 R N 3.719 124.179 120.500 -0.066 0.000 2.265 430 R HA 0.426 4.766 4.340 -0.000 0.000 0.319 430 R C -1.294 174.994 176.300 -0.020 0.000 1.006 430 R CA -0.339 55.740 56.100 -0.034 0.000 0.880 430 R CB 0.609 30.898 30.300 -0.018 0.000 1.077 430 R HN 0.654 nan 8.270 nan 0.000 0.454 431 L N 4.695 125.909 121.223 -0.016 0.000 2.334 431 L HA 0.578 4.918 4.340 -0.000 0.000 0.272 431 L C -0.380 176.492 176.870 0.002 0.000 1.020 431 L CA -1.107 53.732 54.840 -0.001 0.000 0.812 431 L CB 1.343 43.397 42.059 -0.007 0.000 1.264 431 L HN 0.754 nan 8.230 nan 0.000 0.439 432 R N 3.606 124.116 120.500 0.015 0.000 2.320 432 R HA 0.367 4.707 4.340 -0.000 0.000 0.319 432 R C -0.402 175.912 176.300 0.022 0.000 0.969 432 R CA -0.858 55.251 56.100 0.014 0.000 0.857 432 R CB 0.931 31.239 30.300 0.014 0.000 1.160 432 R HN 0.587 nan 8.270 nan 0.000 0.491 433 R N 2.126 122.635 120.500 0.014 0.000 4.368 433 R HA -0.230 4.110 4.340 -0.000 0.000 0.192 433 R C 0.143 176.462 176.300 0.032 0.000 0.393 433 R CA 2.124 58.235 56.100 0.019 0.000 0.925 433 R CB -0.692 29.614 30.300 0.010 0.000 0.967 433 R HN 1.131 nan 8.270 nan 0.000 0.277 434 G N 2.303 111.135 108.800 0.053 0.000 2.545 434 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.195 434 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.195 434 G C 0.096 175.038 174.900 0.070 0.000 1.009 434 G CA -0.025 45.109 45.100 0.056 0.000 0.703 434 G HN 0.586 nan 8.290 nan 0.000 0.479 435 T N 4.198 118.798 114.554 0.077 0.000 2.928 435 T HA 0.452 4.801 4.350 -0.000 0.000 0.305 435 T C -2.339 172.438 174.700 0.128 0.000 1.035 435 T CA -0.003 62.147 62.100 0.082 0.000 1.145 435 T CB 1.421 70.335 68.868 0.076 0.000 0.963 435 T HN 0.076 nan 8.240 nan 0.000 0.545 436 P HA 0.079 nan 4.420 nan 0.000 0.271 436 P C 0.423 177.770 177.300 0.079 0.000 1.220 436 P CA -0.194 62.922 63.100 0.026 0.000 0.768 436 P CB 0.296 31.975 31.700 -0.035 0.000 0.848 437 W N 4.187 125.484 121.300 -0.006 0.000 2.871 437 W HA 0.458 5.118 4.660 -0.000 0.000 0.340 437 W C -1.407 175.112 176.519 -0.001 0.000 1.058 437 W CA -0.179 57.163 57.345 -0.006 0.000 1.633 437 W CB -0.065 29.391 29.460 -0.006 0.000 1.067 437 W HN 0.155 nan 8.180 nan 0.000 0.554 438 L N 1.750 122.456 121.223 -0.860 0.000 2.513 438 L HA 0.571 4.911 4.340 -0.000 0.000 0.261 438 L C -1.101 175.471 176.870 -0.497 0.000 0.945 438 L CA -1.047 53.308 54.840 -0.807 0.000 0.848 438 L CB 2.227 43.345 42.059 -1.569 0.000 1.334 438 L HN -0.008 nan 8.230 nan 0.000 0.407 439 R N 4.026 124.365 120.500 -0.268 0.000 2.337 439 R HA 0.752 5.092 4.340 -0.000 0.000 0.319 439 R C -1.711 174.545 176.300 -0.072 0.000 0.954 439 R CA -0.567 55.428 56.100 -0.175 0.000 0.840 439 R CB 1.453 31.695 30.300 -0.097 0.000 1.164 439 R HN 0.582 nan 8.270 nan 0.000 0.472 440 V N 4.588 124.426 119.914 -0.126 0.000 2.509 440 V HA 0.246 4.366 4.120 -0.000 0.000 0.284 440 V C 0.090 176.142 176.094 -0.070 0.000 1.047 440 V CA -0.360 61.921 62.300 -0.032 0.000 0.952 440 V CB 1.409 33.189 31.823 -0.072 0.000 0.988 440 V HN 0.775 nan 8.190 nan 0.000 0.469 441 H N 5.468 124.507 119.070 -0.052 0.000 2.725 441 H HA 0.396 4.952 4.556 -0.000 0.000 0.283 441 H C -0.095 175.220 175.328 -0.021 0.000 1.110 441 H CA -0.581 55.447 56.048 -0.035 0.000 1.289 441 H CB 1.049 30.794 29.762 -0.029 0.000 1.400 441 H HN 0.679 nan 8.280 nan 0.000 0.493 442 R N 1.118 121.647 120.500 0.049 0.000 2.720 442 R HA 0.326 4.666 4.340 -0.000 0.000 0.272 442 R C -0.650 175.667 176.300 0.028 0.000 0.991 442 R CA -0.756 55.366 56.100 0.035 0.000 1.010 442 R CB 1.604 31.912 30.300 0.013 0.000 1.141 442 R HN 0.211 nan 8.270 nan 0.000 0.494 443 D N 0.732 121.148 120.400 0.027 0.000 2.392 443 D HA 0.108 4.748 4.640 -0.000 0.000 0.206 443 D C 0.885 177.193 176.300 0.014 0.000 1.046 443 D CA 0.433 54.446 54.000 0.021 0.000 0.865 443 D CB 0.532 41.346 40.800 0.024 0.000 0.969 443 D HN 0.719 nan 8.370 nan 0.000 0.509 444 G N 1.303 110.111 108.800 0.013 0.000 2.553 444 G HA2 0.191 4.151 3.960 -0.000 0.000 0.278 444 G HA3 0.191 4.151 3.960 -0.000 0.000 0.278 444 G C -1.542 173.361 174.900 0.005 0.000 1.349 444 G CA -0.493 44.613 45.100 0.010 0.000 1.037 444 G HN -0.046 nan 8.290 nan 0.000 0.508 445 P HA 0.315 nan 4.420 nan 0.000 0.257 445 P C 0.048 177.346 177.300 -0.004 0.000 1.241 445 P CA 1.041 64.140 63.100 -0.001 0.000 0.816 445 P CB 0.719 32.419 31.700 0.000 0.000 1.150 446 A N -0.886 121.933 122.820 -0.002 0.000 2.410 446 A HA 0.556 4.876 4.320 -0.000 0.000 0.300 446 A C -1.994 175.590 177.584 0.001 0.000 1.077 446 A CA -0.650 51.385 52.037 -0.004 0.000 0.610 446 A CB -0.038 18.960 19.000 -0.003 0.000 1.371 446 A HN -0.025 nan 8.150 nan 0.000 0.510 447 L N 1.743 122.967 121.223 0.001 0.000 2.307 447 L HA 0.562 4.902 4.340 -0.000 0.000 0.284 447 L C 0.976 177.853 176.870 0.011 0.000 1.023 447 L CA -0.616 54.228 54.840 0.007 0.000 0.810 447 L CB 1.922 43.985 42.059 0.005 0.000 1.231 447 L HN 0.929 nan 8.230 nan 0.000 0.423 448 S N 1.501 117.210 115.700 0.015 0.000 2.584 448 S HA 0.138 4.608 4.470 -0.000 0.000 0.270 448 S C 1.338 175.948 174.600 0.017 0.000 1.346 448 S CA -0.059 58.150 58.200 0.015 0.000 1.018 448 S CB 1.468 64.678 63.200 0.017 0.000 0.899 448 S HN 0.802 nan 8.310 nan 0.000 0.542 449 G N 2.198 111.007 108.800 0.016 0.000 2.513 449 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.219 449 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.219 449 G C -0.984 173.929 174.900 0.021 0.000 1.160 449 G CA 1.023 46.134 45.100 0.018 0.000 0.767 449 G HN 0.685 nan 8.290 nan 0.000 0.571 450 P HA -0.087 nan 4.420 nan 0.000 0.215 450 P C 2.012 179.327 177.300 0.025 0.000 1.153 450 P CA 1.410 64.521 63.100 0.019 0.000 0.853 450 P CB -0.041 31.669 31.700 0.016 0.000 0.788 451 Q N -0.964 118.852 119.800 0.026 0.000 1.990 451 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 451 Q C 2.417 178.441 176.000 0.040 0.000 0.980 451 Q CA 1.729 57.551 55.803 0.032 0.000 0.832 451 Q CB -0.985 27.771 28.738 0.030 0.000 0.897 451 Q HN 0.147 nan 8.270 nan 0.000 0.427 452 S N 0.696 116.418 115.700 0.035 0.000 2.369 452 S HA -0.276 4.194 4.470 -0.000 0.000 0.225 452 S C 1.992 176.630 174.600 0.063 0.000 1.043 452 S CA 1.791 60.017 58.200 0.043 0.000 1.074 452 S CB -0.202 63.017 63.200 0.033 0.000 0.962 452 S HN 0.291 nan 8.310 nan 0.000 0.433 453 R N 0.426 120.956 120.500 0.051 0.000 2.127 453 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 453 R C 2.330 178.664 176.300 0.057 0.000 1.134 453 R CA 1.388 57.519 56.100 0.051 0.000 0.975 453 R CB -0.635 29.685 30.300 0.034 0.000 0.865 453 R HN 0.487 nan 8.270 nan 0.000 0.447 454 A N 0.965 123.817 122.820 0.053 0.000 1.858 454 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 454 A C 2.145 179.781 177.584 0.086 0.000 1.190 454 A CA 1.462 53.530 52.037 0.053 0.000 0.617 454 A CB -0.673 18.352 19.000 0.042 0.000 0.827 454 A HN 0.335 nan 8.150 nan 0.000 0.443 455 L N -0.737 120.557 121.223 0.119 0.000 2.013 455 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 455 L C 2.878 179.939 176.870 0.320 0.000 1.073 455 L CA 1.499 56.465 54.840 0.210 0.000 0.753 455 L CB -0.826 41.336 42.059 0.173 0.000 0.890 455 L HN 0.375 nan 8.230 nan 0.000 0.432 456 Q N 0.242 120.197 119.800 0.258 0.000 2.135 456 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 456 Q C 2.111 178.134 176.000 0.038 0.000 0.981 456 Q CA 1.577 57.514 55.803 0.223 0.000 0.856 456 Q CB -0.280 28.551 28.738 0.155 0.000 0.902 456 Q HN 0.545 nan 8.270 nan 0.000 0.425 457 E N 0.304 120.526 120.200 0.036 0.000 2.268 457 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 457 E C 1.640 178.216 176.600 -0.039 0.000 0.995 457 E CA 0.770 57.162 56.400 -0.013 0.000 0.836 457 E CB -0.051 29.651 29.700 0.003 0.000 0.763 457 E HN 0.357 nan 8.360 nan 0.000 0.491 458 A N 0.397 123.216 122.820 -0.002 0.000 2.172 458 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 458 A C 0.976 178.485 177.584 -0.124 0.000 1.154 458 A CA 0.314 52.347 52.037 -0.007 0.000 0.701 458 A CB -0.124 18.935 19.000 0.099 0.000 0.789 458 A HN 0.230 nan 8.150 nan 0.000 0.465 459 L N 1.886 122.917 121.223 -0.319 0.000 2.255 459 L HA 0.387 4.726 4.340 -0.000 0.000 0.289 459 L C -1.181 175.501 176.870 -0.314 0.000 1.046 459 L CA -0.331 54.196 54.840 -0.523 0.000 0.816 459 L CB 1.179 42.497 42.059 -1.236 0.000 1.197 459 L HN 0.018 nan 8.230 nan 0.000 0.427 460 V N 6.538 126.335 119.914 -0.196 0.000 2.439 460 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 460 V C 0.262 176.293 176.094 -0.106 0.000 1.039 460 V CA -0.454 61.774 62.300 -0.120 0.000 0.913 460 V CB 1.663 33.449 31.823 -0.062 0.000 0.983 460 V HN 0.599 nan 8.190 nan 0.000 0.460 461 L N 4.623 125.792 121.223 -0.089 0.000 2.386 461 L HA 0.720 5.060 4.340 -0.000 0.000 0.271 461 L C -0.048 176.806 176.870 -0.027 0.000 0.993 461 L CA -0.305 54.498 54.840 -0.062 0.000 0.819 461 L CB 2.383 44.390 42.059 -0.086 0.000 1.294 461 L HN 0.782 nan 8.230 nan 0.000 0.414 462 S N -0.724 114.977 115.700 0.002 0.000 2.600 462 S HA 0.440 4.910 4.470 -0.000 0.000 0.300 462 S C -0.566 174.045 174.600 0.018 0.000 1.087 462 S CA -0.932 57.276 58.200 0.012 0.000 0.965 462 S CB 2.300 65.517 63.200 0.028 0.000 1.089 462 S HN 0.549 nan 8.310 nan 0.000 0.496 463 D N 1.093 121.500 120.400 0.012 0.000 3.060 463 D HA 0.246 4.885 4.640 -0.000 0.000 0.245 463 D C -0.091 176.223 176.300 0.023 0.000 1.274 463 D CA 0.074 54.082 54.000 0.014 0.000 0.864 463 D CB 0.082 40.885 40.800 0.005 0.000 1.073 463 D HN 0.298 nan 8.370 nan 0.000 0.473 464 R N 0.286 120.812 120.500 0.043 0.000 2.711 464 R HA 0.542 4.882 4.340 -0.000 0.000 0.284 464 R C -0.712 175.641 176.300 0.087 0.000 0.968 464 R CA -0.642 55.490 56.100 0.054 0.000 0.924 464 R CB 1.105 31.432 30.300 0.046 0.000 1.162 464 R HN 0.008 nan 8.270 nan 0.000 0.465 465 A N 5.895 128.759 122.820 0.075 0.000 2.598 465 A HA 0.136 4.456 4.320 -0.000 0.000 0.239 465 A C -1.851 175.823 177.584 0.149 0.000 1.032 465 A CA -0.382 51.705 52.037 0.085 0.000 0.760 465 A CB -0.791 18.250 19.000 0.068 0.000 0.946 465 A HN 0.638 nan 8.150 nan 0.000 0.512 466 P HA 0.277 nan 4.420 nan 0.000 0.267 466 P C -0.595 176.787 177.300 0.137 0.000 1.200 466 P CA 0.544 63.681 63.100 0.062 0.000 0.772 466 P CB 0.213 31.901 31.700 -0.020 0.000 0.855 467 F N -0.427 119.524 119.950 0.002 0.000 2.691 467 F HA 0.817 5.343 4.527 -0.000 0.000 0.334 467 F C -0.949 174.855 175.800 0.006 0.000 1.107 467 F CA -1.861 56.141 58.000 0.004 0.000 0.991 467 F CB 0.689 39.691 39.000 0.004 0.000 1.400 467 F HN 0.351 nan 8.300 nan 0.000 0.503 468 A N 1.302 124.240 122.820 0.197 0.000 2.289 468 A HA 0.729 5.049 4.320 -0.000 0.000 0.298 468 A C 0.141 177.845 177.584 0.200 0.000 1.208 468 A CA -0.286 51.801 52.037 0.083 0.000 0.845 468 A CB -0.184 18.872 19.000 0.093 0.000 1.125 468 A HN 1.421 nan 8.150 nan 0.000 0.517 469 A N 4.228 127.075 122.820 0.045 0.000 2.555 469 A HA 0.498 4.818 4.320 -0.000 0.000 0.233 469 A C -1.406 176.277 177.584 0.165 0.000 1.060 469 A CA -0.351 51.762 52.037 0.128 0.000 0.759 469 A CB -0.576 18.442 19.000 0.030 0.000 0.995 469 A HN 0.765 nan 8.150 nan 0.000 0.506 470 P HA 0.404 nan 4.420 nan 0.000 0.301 470 P C -0.424 176.940 177.300 0.107 0.000 1.309 470 P CA -0.590 62.590 63.100 0.133 0.000 0.782 470 P CB 1.154 32.929 31.700 0.126 0.000 1.282 471 S N 0.274 116.040 115.700 0.110 0.000 2.525 471 S HA 0.310 4.779 4.470 -0.000 0.000 0.278 471 S C -1.275 173.407 174.600 0.138 0.000 1.234 471 S CA -1.517 56.757 58.200 0.123 0.000 1.058 471 S CB 0.109 63.399 63.200 0.150 0.000 0.983 471 S HN 0.294 nan 8.310 nan 0.000 0.495 472 P HA 0.043 nan 4.420 nan 0.000 0.231 472 P C 0.241 177.632 177.300 0.151 0.000 1.168 472 P CA 0.130 63.286 63.100 0.093 0.000 0.779 472 P CB -0.059 31.667 31.700 0.044 0.000 0.844 473 F N 1.453 121.446 119.950 0.071 0.000 2.506 473 F HA 0.389 4.916 4.527 -0.000 0.000 0.371 473 F C 0.936 176.812 175.800 0.127 0.000 1.078 473 F CA -0.535 57.523 58.000 0.097 0.000 1.195 473 F CB 0.706 39.747 39.000 0.069 0.000 1.099 473 F HN -0.025 nan 8.300 nan 0.000 0.548 474 A N 5.441 127.943 122.820 -0.530 0.000 3.750 474 A HA 0.335 4.655 4.320 -0.000 0.000 0.188 474 A C 0.395 177.597 177.584 -0.637 0.000 1.870 474 A CA 0.269 52.093 52.037 -0.356 0.000 1.748 474 A CB -0.402 18.530 19.000 -0.112 0.000 1.266 474 A HN 0.787 nan 8.150 nan 0.000 0.382 475 E N -1.342 118.597 120.200 -0.435 0.000 2.961 475 E HA 0.651 5.001 4.350 -0.000 0.000 0.254 475 E C -1.293 175.141 176.600 -0.276 0.000 1.192 475 E CA -0.696 55.541 56.400 -0.271 0.000 1.069 475 E CB 0.592 30.215 29.700 -0.128 0.000 1.338 475 E HN 0.386 nan 8.360 nan 0.000 0.596 476 L N -0.235 120.977 121.223 -0.018 0.000 2.482 476 L HA 0.348 4.688 4.340 -0.000 0.000 0.263 476 L C -1.746 175.173 176.870 0.082 0.000 0.957 476 L CA -0.757 54.142 54.840 0.099 0.000 0.836 476 L CB 2.504 44.747 42.059 0.306 0.000 1.324 476 L HN 0.485 nan 8.230 nan 0.000 0.406 477 V N 5.973 125.928 119.914 0.067 0.000 2.257 477 V HA 0.373 4.493 4.120 -0.000 0.000 0.269 477 V C 0.396 176.513 176.094 0.038 0.000 1.040 477 V CA -0.528 61.798 62.300 0.044 0.000 0.813 477 V CB 0.773 32.613 31.823 0.028 0.000 1.065 477 V HN 0.609 nan 8.190 nan 0.000 0.457 478 L N 6.155 127.396 121.223 0.029 0.000 2.473 478 L HA 0.298 4.638 4.340 -0.000 0.000 0.268 478 L C -1.598 175.258 176.870 -0.024 0.000 1.215 478 L CA -1.549 53.276 54.840 -0.024 0.000 0.823 478 L CB 0.614 42.635 42.059 -0.063 0.000 1.099 478 L HN 0.363 nan 8.230 nan 0.000 0.483 479 P HA 0.073 nan 4.420 nan 0.000 0.263 479 P C -2.210 175.076 177.300 -0.024 0.000 1.276 479 P CA -0.811 62.272 63.100 -0.029 0.000 0.986 479 P CB -0.388 31.287 31.700 -0.041 0.000 1.105 480 P HA 0.195 nan 4.420 nan 0.000 0.273 480 P C -0.359 176.938 177.300 -0.006 0.000 1.258 480 P CA 0.452 63.549 63.100 -0.005 0.000 0.802 480 P CB 0.437 32.138 31.700 0.001 0.000 1.040 481 Q N 0.000 119.798 119.800 -0.003 0.000 2.315 481 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 481 Q CA 0.000 nan 55.803 nan 0.000 1.022 481 Q CB 0.000 nan 28.738 nan 0.000 1.108 481 Q HN 0.000 nan 8.270 nan 0.000 0.481