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 1ihm_1_B DATA FIRST_RESID 2010 DATA SEQUENCE SSVDGASGAG QLVPEVNASD PLAMDPVAGS STAVATAGQV NPIDPWIINN DATA SEQUENCE FVQAPQGEFT ISPNNTPGDV LFDLSLGPHL NPFLLHLSQM YNGWVGNMRV DATA SEQUENCE RIMLAGNAFT AGKIIVSCIP PGFGSHNLTI AQATLFPHVI ADVRTLDPIE DATA SEQUENCE VPLEDVRNVL FHNNDRNQQT MRLVCMLYTP LRTGGGTGDS FVVAGRVMTC DATA SEQUENCE PSPDFNFLFL VPPTVEQKTR PFTLPNLPLS SLSNSRAPLP ISSMGISPDN DATA SEQUENCE VQSVQFQNGR CTLDGRLVGT TPVSLSHVAK IRGTSNGTVI NLTELDGTPF DATA SEQUENCE HPFEGPAPIG FPDLGGCDWH INMTQFGHSS QTQYDVDTTP DTFVPHLGSI DATA SEQUENCE QANGIGSGNY VGVLSWISPP SHPSGSQVDL WKIPNYGSSI TEATHLAPSV DATA SEQUENCE YPPGFGEVLV FFMSKMPGPG AYNLPCLLPQ EYISHLASEQ APTVGEAALL DATA SEQUENCE HYVDPDTGRN LGEFKAYPDG FLTCVPNGAS SGPQQLPING VFVFVSWVSR DATA SEQUENCE FYQLKPVGTA S 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 2010 S HA 0.000 nan 4.470 nan 0.000 0.327 2010 S C 0.000 174.622 174.600 0.037 0.000 1.055 2010 S CA 0.000 58.230 58.200 0.050 0.000 1.107 2010 S CB 0.000 63.243 63.200 0.072 0.000 0.593 2011 S N 2.019 117.741 115.700 0.037 0.000 2.499 2011 S HA 0.721 5.191 4.470 0.000 0.000 0.275 2011 S C -0.449 174.160 174.600 0.016 0.000 1.257 2011 S CA -0.495 57.718 58.200 0.021 0.000 1.050 2011 S CB 1.366 64.573 63.200 0.013 0.000 0.937 2011 S HN 0.810 nan 8.310 nan 0.000 0.490 2012 V N 4.162 124.083 119.914 0.011 0.000 2.380 2012 V HA 0.239 4.359 4.120 0.000 0.000 0.272 2012 V C -0.229 175.869 176.094 0.007 0.000 1.011 2012 V CA -0.944 61.362 62.300 0.010 0.000 0.826 2012 V CB 0.671 32.500 31.823 0.011 0.000 1.040 2012 V HN 1.001 nan 8.190 nan 0.000 0.441 2013 D N 2.875 123.278 120.400 0.005 0.000 2.372 2013 D HA 0.094 4.734 4.640 0.000 0.000 0.243 2013 D C 1.237 177.540 176.300 0.006 0.000 1.121 2013 D CA -0.136 53.867 54.000 0.005 0.000 0.898 2013 D CB 2.436 43.238 40.800 0.003 0.000 1.202 2013 D HN 0.488 nan 8.370 nan 0.000 0.428 2014 G N 0.777 109.582 108.800 0.008 0.000 3.028 2014 G HA2 0.048 4.008 3.960 0.000 0.000 0.205 2014 G HA3 0.048 4.008 3.960 0.000 0.000 0.205 2014 G C 1.417 176.320 174.900 0.006 0.000 1.182 2014 G CA 0.394 45.499 45.100 0.008 0.000 0.860 2014 G HN 0.665 nan 8.290 nan 0.000 0.507 2015 A N 1.670 124.493 122.820 0.004 0.000 1.923 2015 A HA -0.280 4.040 4.320 0.000 0.000 0.222 2015 A C 2.839 180.424 177.584 0.001 0.000 1.258 2015 A CA 3.041 55.079 52.037 0.002 0.000 0.670 2015 A CB -1.095 17.906 19.000 0.003 0.000 0.834 2015 A HN 0.980 nan 8.150 nan 0.000 0.470 2016 S N -1.127 114.575 115.700 0.003 0.000 2.372 2016 S HA -0.026 4.444 4.470 0.000 0.000 0.227 2016 S C 1.723 176.325 174.600 0.002 0.000 1.044 2016 S CA 1.667 59.869 58.200 0.003 0.000 1.050 2016 S CB -1.012 62.191 63.200 0.005 0.000 0.901 2016 S HN 1.153 nan 8.310 nan 0.000 0.447 2017 G N -0.465 108.337 108.800 0.003 0.000 3.324 2017 G HA2 0.572 4.532 3.960 0.000 0.000 0.251 2017 G HA3 0.572 4.532 3.960 0.000 0.000 0.251 2017 G C 0.957 175.858 174.900 0.002 0.000 1.072 2017 G CA 0.231 45.333 45.100 0.003 0.000 0.787 2017 G HN 0.712 nan 8.290 nan 0.000 0.537 2018 A N 0.096 122.915 122.820 -0.000 0.000 2.235 2018 A HA 0.515 4.835 4.320 0.000 0.000 0.208 2018 A C 1.867 179.441 177.584 -0.016 0.000 1.172 2018 A CA 1.252 53.286 52.037 -0.005 0.000 0.786 2018 A CB -0.638 18.360 19.000 -0.002 0.000 0.804 2018 A HN 1.565 nan 8.150 nan 0.000 0.479 2019 G N -0.445 108.346 108.800 -0.014 0.000 2.564 2019 G HA2 -0.301 3.659 3.960 0.000 0.000 0.273 2019 G HA3 -0.301 3.659 3.960 0.000 0.000 0.273 2019 G C 0.073 174.959 174.900 -0.023 0.000 1.242 2019 G CA 0.413 45.501 45.100 -0.021 0.000 0.951 2019 G HN 0.570 nan 8.290 nan 0.000 0.564 2020 Q N -0.159 119.622 119.800 -0.031 0.000 2.215 2020 Q HA 0.441 4.782 4.340 0.000 0.000 0.337 2020 Q C 1.657 177.631 176.000 -0.043 0.000 0.887 2020 Q CA -0.232 55.553 55.803 -0.029 0.000 1.134 2020 Q CB 0.583 29.308 28.738 -0.023 0.000 1.303 2020 Q HN 0.502 nan 8.270 nan 0.000 0.421 2021 L N -0.372 120.816 121.223 -0.058 0.000 2.375 2021 L HA 0.110 4.450 4.340 0.000 0.000 0.215 2021 L C 0.886 177.714 176.870 -0.071 0.000 1.108 2021 L CA 0.363 55.151 54.840 -0.087 0.000 0.830 2021 L CB 0.303 42.281 42.059 -0.136 0.000 0.959 2021 L HN 0.066 nan 8.230 nan 0.000 0.457 2022 V N -3.626 116.262 119.914 -0.044 0.000 2.914 2022 V HA 0.610 4.730 4.120 0.000 0.000 0.314 2022 V C -2.638 173.449 176.094 -0.012 0.000 1.084 2022 V CA -2.127 60.159 62.300 -0.024 0.000 0.963 2022 V CB 1.520 33.336 31.823 -0.011 0.000 1.025 2022 V HN -0.123 nan 8.190 nan 0.000 0.432 2023 P HA 0.349 nan 4.420 nan 0.000 0.281 2023 P C 0.187 177.491 177.300 0.006 0.000 1.252 2023 P CA -0.018 63.084 63.100 0.003 0.000 0.778 2023 P CB 1.817 33.522 31.700 0.009 0.000 0.895 2024 E N 1.187 121.389 120.200 0.004 0.000 2.004 2024 E HA -0.017 4.333 4.350 0.000 0.000 0.193 2024 E C 0.316 176.920 176.600 0.006 0.000 0.985 2024 E CA 0.981 57.383 56.400 0.004 0.000 0.832 2024 E CB -0.140 29.561 29.700 0.002 0.000 0.787 2024 E HN 0.268 nan 8.360 nan 0.000 0.466 2025 V N 1.747 121.664 119.914 0.005 0.000 2.743 2025 V HA 0.102 4.223 4.120 0.000 0.000 0.301 2025 V C -0.071 176.028 176.094 0.009 0.000 1.057 2025 V CA -0.651 61.653 62.300 0.005 0.000 1.006 2025 V CB 1.362 33.187 31.823 0.003 0.000 1.024 2025 V HN 0.207 nan 8.190 nan 0.000 0.473 2026 N N 2.452 121.158 118.700 0.010 0.000 2.408 2026 N HA 0.450 5.190 4.740 0.000 0.000 0.257 2026 N C -0.270 175.246 175.510 0.010 0.000 1.064 2026 N CA -0.114 52.944 53.050 0.014 0.000 0.952 2026 N CB 1.125 39.623 38.487 0.018 0.000 1.093 2026 N HN 0.926 nan 8.380 nan 0.000 0.490 2027 A N 3.083 125.910 122.820 0.011 0.000 2.302 2027 A HA 0.554 4.874 4.320 0.000 0.000 0.295 2027 A C -0.466 177.122 177.584 0.007 0.000 1.235 2027 A CA -0.360 51.682 52.037 0.008 0.000 0.876 2027 A CB -0.224 18.781 19.000 0.009 0.000 1.133 2027 A HN 0.753 nan 8.150 nan 0.000 0.533 2028 S N 1.884 117.583 115.700 -0.000 0.000 2.537 2028 S HA 0.532 5.002 4.470 0.000 0.000 0.270 2028 S C -1.273 173.314 174.600 -0.021 0.000 1.142 2028 S CA -1.061 57.133 58.200 -0.009 0.000 0.870 2028 S CB 0.990 64.184 63.200 -0.011 0.000 1.112 2028 S HN 0.502 nan 8.310 nan 0.000 0.466 2029 D N 3.291 123.671 120.400 -0.033 0.000 2.423 2029 D HA 0.375 5.016 4.640 0.000 0.000 0.238 2029 D C -1.603 174.661 176.300 -0.059 0.000 1.142 2029 D CA -0.343 53.630 54.000 -0.044 0.000 0.884 2029 D CB 0.101 40.869 40.800 -0.053 0.000 1.199 2029 D HN 0.459 nan 8.370 nan 0.000 0.438 2030 P HA 0.025 nan 4.420 nan 0.000 0.271 2030 P C -0.252 177.008 177.300 -0.068 0.000 1.233 2030 P CA -0.377 62.697 63.100 -0.043 0.000 0.789 2030 P CB 0.680 32.364 31.700 -0.027 0.000 0.951 2031 L N 0.805 121.997 121.223 -0.052 0.000 2.410 2031 L HA 0.134 4.474 4.340 0.000 0.000 0.273 2031 L C 1.098 177.939 176.870 -0.047 0.000 1.144 2031 L CA -0.474 54.330 54.840 -0.060 0.000 0.863 2031 L CB 0.453 42.498 42.059 -0.024 0.000 1.140 2031 L HN 0.461 nan 8.230 nan 0.000 0.463 2032 A N 7.549 130.331 122.820 -0.064 0.000 2.981 2032 A HA 0.379 4.699 4.320 0.000 0.000 0.280 2032 A C -0.027 177.551 177.584 -0.009 0.000 1.797 2032 A CA 0.225 52.239 52.037 -0.038 0.000 1.456 2032 A CB -0.457 18.517 19.000 -0.044 0.000 1.057 2032 A HN 0.770 nan 8.150 nan 0.000 0.602 2033 M N 1.290 120.888 119.600 -0.002 0.000 2.484 2033 M HA 0.233 4.713 4.480 0.000 0.000 0.292 2033 M C -2.226 174.083 176.300 0.015 0.000 1.123 2033 M CA -0.615 54.693 55.300 0.014 0.000 0.910 2033 M CB 1.377 33.992 32.600 0.025 0.000 1.782 2033 M HN 0.337 nan 8.290 nan 0.000 0.512 2034 D N 5.168 125.580 120.400 0.019 0.000 2.329 2034 D HA 0.499 5.139 4.640 0.000 0.000 0.246 2034 D C -2.258 174.058 176.300 0.026 0.000 1.111 2034 D CA -0.453 53.558 54.000 0.019 0.000 0.941 2034 D CB 0.962 41.773 40.800 0.017 0.000 1.169 2034 D HN 0.418 nan 8.370 nan 0.000 0.441 2035 P HA 0.111 nan 4.420 nan 0.000 0.275 2035 P C -0.594 176.727 177.300 0.034 0.000 1.228 2035 P CA -0.318 62.801 63.100 0.032 0.000 0.786 2035 P CB 0.922 32.639 31.700 0.027 0.000 0.927 2036 V N 1.714 121.655 119.914 0.044 0.000 2.630 2036 V HA 0.541 4.661 4.120 0.000 0.000 0.305 2036 V C 0.702 176.821 176.094 0.043 0.000 1.046 2036 V CA -0.929 61.398 62.300 0.045 0.000 0.934 2036 V CB 1.433 33.293 31.823 0.061 0.000 1.003 2036 V HN 0.791 nan 8.190 nan 0.000 0.451 2037 A N 2.607 125.446 122.820 0.031 0.000 2.351 2037 A HA 0.734 5.054 4.320 0.000 0.000 0.257 2037 A C 0.839 178.441 177.584 0.029 0.000 1.087 2037 A CA 0.487 52.538 52.037 0.025 0.000 0.798 2037 A CB 0.489 19.496 19.000 0.012 0.000 1.033 2037 A HN 1.080 nan 8.150 nan 0.000 0.488 2038 G N -0.212 108.603 108.800 0.025 0.000 3.329 2038 G HA2 0.328 4.288 3.960 0.000 0.000 0.180 2038 G HA3 0.328 4.288 3.960 0.000 0.000 0.180 2038 G C 1.264 176.158 174.900 -0.009 0.000 1.640 2038 G CA 0.672 45.784 45.100 0.022 0.000 1.018 2038 G HN 0.656 nan 8.290 nan 0.000 0.581 2039 S N 0.840 116.524 115.700 -0.027 0.000 2.387 2039 S HA -0.206 4.264 4.470 0.000 0.000 0.230 2039 S C 2.703 177.286 174.600 -0.028 0.000 1.035 2039 S CA 1.938 60.108 58.200 -0.049 0.000 1.014 2039 S CB -0.540 62.623 63.200 -0.061 0.000 0.836 2039 S HN 0.719 nan 8.310 nan 0.000 0.466 2040 S N 1.560 117.251 115.700 -0.015 0.000 2.432 2040 S HA -0.270 4.200 4.470 0.000 0.000 0.243 2040 S C 1.781 176.380 174.600 -0.002 0.000 1.069 2040 S CA 1.950 60.145 58.200 -0.008 0.000 1.047 2040 S CB -1.483 61.715 63.200 -0.003 0.000 0.854 2040 S HN 0.605 nan 8.310 nan 0.000 0.474 2041 T N 2.815 117.370 114.554 0.001 0.000 2.668 2041 T HA 0.114 4.464 4.350 0.000 0.000 0.262 2041 T C 2.274 177.007 174.700 0.054 0.000 1.045 2041 T CA 1.346 63.455 62.100 0.015 0.000 1.152 2041 T CB -0.894 67.977 68.868 0.004 0.000 0.864 2041 T HN 0.650 nan 8.240 nan 0.000 0.419 2042 A N 1.220 124.084 122.820 0.073 0.000 2.015 2042 A HA 0.024 4.344 4.320 0.000 0.000 0.219 2042 A C 2.552 180.148 177.584 0.020 0.000 1.163 2042 A CA 0.925 53.031 52.037 0.114 0.000 0.646 2042 A CB -1.129 17.843 19.000 -0.047 0.000 0.806 2042 A HN 0.324 nan 8.150 nan 0.000 0.448 2043 V N -0.123 119.785 119.914 -0.010 0.000 2.311 2043 V HA -0.408 3.712 4.120 0.000 0.000 0.256 2043 V C 2.895 178.989 176.094 0.000 0.000 1.077 2043 V CA 2.388 64.677 62.300 -0.019 0.000 1.067 2043 V CB -1.236 30.578 31.823 -0.015 0.000 0.659 2043 V HN 0.646 nan 8.190 nan 0.000 0.451 2044 A N -0.374 122.461 122.820 0.025 0.000 2.072 2044 A HA -0.052 4.268 4.320 0.000 0.000 0.216 2044 A C 2.245 179.862 177.584 0.056 0.000 1.156 2044 A CA 1.764 53.821 52.037 0.032 0.000 0.701 2044 A CB -0.357 18.660 19.000 0.028 0.000 0.816 2044 A HN 0.666 nan 8.150 nan 0.000 0.458 2045 T N -3.802 110.812 114.554 0.101 0.000 2.955 2045 T HA 0.571 4.921 4.350 0.000 0.000 0.251 2045 T C 0.860 175.668 174.700 0.180 0.000 1.002 2045 T CA 0.454 62.646 62.100 0.153 0.000 0.970 2045 T CB -0.261 68.725 68.868 0.198 0.000 1.091 2045 T HN 0.512 nan 8.240 nan 0.000 0.495 2046 A N 1.058 123.920 122.820 0.069 0.000 2.386 2046 A HA 0.662 4.982 4.320 0.000 0.000 0.248 2046 A C 1.750 179.353 177.584 0.032 0.000 1.082 2046 A CA 0.036 52.005 52.037 -0.114 0.000 0.789 2046 A CB -0.045 18.699 19.000 -0.427 0.000 1.025 2046 A HN 0.367 nan 8.150 nan 0.000 0.490 2047 G N -0.040 108.867 108.800 0.178 0.000 2.421 2047 G HA2 0.214 4.174 3.960 0.000 0.000 0.217 2047 G HA3 0.214 4.174 3.960 0.000 0.000 0.217 2047 G C 0.563 175.433 174.900 -0.050 0.000 1.143 2047 G CA 0.933 46.156 45.100 0.205 0.000 0.784 2047 G HN 0.775 nan 8.290 nan 0.000 0.541 2048 Q N -1.778 117.941 119.800 -0.135 0.000 2.511 2048 Q HA 0.570 4.910 4.340 0.000 0.000 0.289 2048 Q C -1.841 174.066 176.000 -0.156 0.000 1.021 2048 Q CA -0.789 54.900 55.803 -0.190 0.000 0.785 2048 Q CB 3.129 31.674 28.738 -0.322 0.000 1.472 2048 Q HN -0.057 nan 8.270 nan 0.000 0.411 2049 V N 2.357 122.193 119.914 -0.131 0.000 2.357 2049 V HA 0.336 4.456 4.120 0.000 0.000 0.281 2049 V C -1.230 174.800 176.094 -0.108 0.000 1.015 2049 V CA -0.966 61.258 62.300 -0.127 0.000 0.827 2049 V CB 1.223 32.986 31.823 -0.099 0.000 1.018 2049 V HN 0.626 nan 8.190 nan 0.000 0.432 2050 N N 6.783 125.400 118.700 -0.138 0.000 2.420 2050 N HA 0.397 5.137 4.740 0.000 0.000 0.249 2050 N C -2.464 173.005 175.510 -0.067 0.000 1.033 2050 N CA -1.576 51.399 53.050 -0.125 0.000 0.944 2050 N CB 1.530 39.850 38.487 -0.279 0.000 1.113 2050 N HN 0.380 nan 8.380 nan 0.000 0.502 2051 P HA 0.235 nan 4.420 nan 0.000 0.274 2051 P C -0.187 177.174 177.300 0.102 0.000 1.231 2051 P CA -0.401 62.722 63.100 0.039 0.000 0.790 2051 P CB 1.141 32.857 31.700 0.026 0.000 0.951 2052 I N -2.359 118.286 120.570 0.125 0.000 2.797 2052 I HA 0.480 4.650 4.170 0.000 0.000 0.307 2052 I C -0.018 176.164 176.117 0.107 0.000 1.033 2052 I CA -1.220 60.183 61.300 0.171 0.000 1.071 2052 I CB 1.565 39.712 38.000 0.246 0.000 1.255 2052 I HN 0.085 nan 8.210 nan 0.000 0.445 2053 D N 5.901 126.366 120.400 0.108 0.000 2.502 2053 D HA 0.028 4.668 4.640 0.000 0.000 0.249 2053 D C -1.372 174.966 176.300 0.063 0.000 1.188 2053 D CA -1.527 52.529 54.000 0.093 0.000 0.890 2053 D CB 1.153 42.001 40.800 0.081 0.000 1.140 2053 D HN 0.404 nan 8.370 nan 0.000 0.505 2054 P HA -0.157 nan 4.420 nan 0.000 0.221 2054 P C 1.158 178.364 177.300 -0.156 0.000 1.145 2054 P CA 1.085 64.115 63.100 -0.116 0.000 0.795 2054 P CB -0.060 31.508 31.700 -0.220 0.000 0.775 2055 W N 0.010 121.268 121.300 -0.070 0.000 2.467 2055 W HA 0.049 4.709 4.660 0.000 0.000 0.275 2055 W C 2.404 178.862 176.519 -0.102 0.000 1.239 2055 W CA 0.214 57.508 57.345 -0.085 0.000 1.266 2055 W CB -0.804 28.591 29.460 -0.107 0.000 1.112 2055 W HN -0.129 nan 8.180 nan 0.000 0.576 2056 I N -0.300 120.317 120.570 0.078 0.000 2.500 2056 I HA -0.238 3.933 4.170 0.000 0.000 0.252 2056 I C 2.042 178.153 176.117 -0.010 0.000 1.142 2056 I CA 0.531 61.845 61.300 0.023 0.000 1.451 2056 I CB -0.496 37.503 38.000 -0.003 0.000 1.093 2056 I HN -0.121 nan 8.210 nan 0.000 0.430 2057 I N 1.327 121.874 120.570 -0.039 0.000 2.399 2057 I HA -0.295 3.875 4.170 0.000 0.000 0.254 2057 I C 1.717 177.752 176.117 -0.138 0.000 1.146 2057 I CA 1.785 63.033 61.300 -0.086 0.000 1.412 2057 I CB -1.095 36.859 38.000 -0.076 0.000 1.076 2057 I HN 0.390 nan 8.210 nan 0.000 0.432 2058 N N -0.161 118.466 118.700 -0.121 0.000 2.145 2058 N HA 0.033 4.773 4.740 0.000 0.000 0.219 2058 N C -0.042 175.376 175.510 -0.154 0.000 1.266 2058 N CA -0.062 52.895 53.050 -0.156 0.000 0.902 2058 N CB 0.380 38.812 38.487 -0.092 0.000 1.078 2058 N HN 0.028 nan 8.380 nan 0.000 0.513 2059 N N 0.695 119.356 118.700 -0.065 0.000 2.420 2059 N HA 0.097 4.837 4.740 0.000 0.000 0.262 2059 N C -1.156 174.320 175.510 -0.058 0.000 1.144 2059 N CA 0.160 53.226 53.050 0.027 0.000 0.952 2059 N CB 0.036 38.615 38.487 0.154 0.000 1.081 2059 N HN 0.126 nan 8.380 nan 0.000 0.480 2060 F N 2.022 122.008 119.950 0.059 0.000 2.434 2060 F HA 0.177 4.704 4.527 0.000 0.000 0.358 2060 F C 0.506 176.320 175.800 0.024 0.000 1.136 2060 F CA -0.436 57.582 58.000 0.030 0.000 1.157 2060 F CB 0.529 39.540 39.000 0.019 0.000 1.167 2060 F HN 0.062 nan 8.300 nan 0.000 0.539 2061 V N 3.594 123.598 119.914 0.150 0.000 2.769 2061 V HA 0.248 4.368 4.120 0.000 0.000 0.312 2061 V C -0.084 176.024 176.094 0.024 0.000 1.058 2061 V CA -1.203 61.130 62.300 0.056 0.000 0.952 2061 V CB 1.780 33.582 31.823 -0.034 0.000 1.019 2061 V HN 0.552 nan 8.190 nan 0.000 0.445 2062 Q N 1.977 121.762 119.800 -0.026 0.000 2.262 2062 Q HA 0.420 4.760 4.340 0.000 0.000 0.272 2062 Q C 0.239 176.201 176.000 -0.064 0.000 1.076 2062 Q CA -0.236 55.542 55.803 -0.040 0.000 0.905 2062 Q CB 0.779 29.480 28.738 -0.062 0.000 1.182 2062 Q HN 0.958 nan 8.270 nan 0.000 0.390 2063 A N 6.440 129.234 122.820 -0.043 0.000 2.448 2063 A HA 0.163 4.483 4.320 0.000 0.000 0.239 2063 A C -1.491 176.085 177.584 -0.015 0.000 1.080 2063 A CA -0.997 51.017 52.037 -0.038 0.000 0.779 2063 A CB -0.125 18.849 19.000 -0.045 0.000 1.026 2063 A HN 0.805 nan 8.150 nan 0.000 0.499 2064 P HA -0.154 nan 4.420 nan 0.000 0.218 2064 P C 0.289 177.703 177.300 0.191 0.000 1.149 2064 P CA 1.270 64.452 63.100 0.137 0.000 0.817 2064 P CB 0.103 31.997 31.700 0.323 0.000 0.785 2065 Q N 0.088 119.999 119.800 0.186 0.000 2.823 2065 Q HA 0.288 4.628 4.340 0.000 0.000 0.370 2065 Q C 1.400 177.424 176.000 0.040 0.000 1.110 2065 Q CA -0.184 55.726 55.803 0.178 0.000 0.990 2065 Q CB -0.201 28.630 28.738 0.154 0.000 1.383 2065 Q HN 0.181 nan 8.270 nan 0.000 0.430 2066 G N 0.470 109.273 108.800 0.006 0.000 2.920 2066 G HA2 -0.053 3.907 3.960 0.000 0.000 0.208 2066 G HA3 -0.053 3.907 3.960 0.000 0.000 0.208 2066 G C 0.291 175.203 174.900 0.021 0.000 1.159 2066 G CA 0.144 45.232 45.100 -0.021 0.000 0.784 2066 G HN 0.269 nan 8.290 nan 0.000 0.535 2067 E N -0.926 119.317 120.200 0.072 0.000 2.336 2067 E HA 0.630 4.980 4.350 0.000 0.000 0.267 2067 E C -1.253 175.606 176.600 0.431 0.000 0.906 2067 E CA -0.943 55.542 56.400 0.142 0.000 0.781 2067 E CB 2.373 32.113 29.700 0.066 0.000 1.261 2067 E HN 0.193 nan 8.360 nan 0.000 0.436 2068 F N -1.770 118.421 119.950 0.400 0.000 2.741 2068 F HA 0.653 5.180 4.527 0.000 0.000 0.311 2068 F C -1.340 174.590 175.800 0.217 0.000 1.149 2068 F CA -0.887 57.389 58.000 0.459 0.000 0.930 2068 F CB 1.392 40.646 39.000 0.424 0.000 1.312 2068 F HN 0.312 nan 8.300 nan 0.000 0.450 2069 T N 0.120 114.807 114.554 0.220 0.000 2.952 2069 T HA 0.783 5.133 4.350 0.000 0.000 0.305 2069 T C -1.139 173.633 174.700 0.120 0.000 1.064 2069 T CA -0.607 61.445 62.100 -0.079 0.000 1.008 2069 T CB 1.660 70.243 68.868 -0.475 0.000 1.078 2069 T HN 0.812 nan 8.240 nan 0.000 0.459 2070 I N 2.732 123.354 120.570 0.086 0.000 2.441 2070 I HA 0.692 4.862 4.170 0.000 0.000 0.295 2070 I C 0.307 176.433 176.117 0.015 0.000 0.994 2070 I CA -0.698 60.666 61.300 0.108 0.000 1.144 2070 I CB 2.012 40.108 38.000 0.160 0.000 1.314 2070 I HN 0.988 nan 8.210 nan 0.000 0.445 2071 S N 5.400 121.083 115.700 -0.028 0.000 2.607 2071 S HA 0.537 5.007 4.470 0.000 0.000 0.273 2071 S C -2.466 172.071 174.600 -0.106 0.000 1.148 2071 S CA -1.185 56.969 58.200 -0.077 0.000 0.833 2071 S CB 2.214 65.308 63.200 -0.176 0.000 1.130 2071 S HN 0.423 nan 8.310 nan 0.000 0.470 2072 P HA 0.024 nan 4.420 nan 0.000 0.234 2072 P C 0.375 177.572 177.300 -0.172 0.000 1.167 2072 P CA 0.661 63.705 63.100 -0.093 0.000 0.763 2072 P CB -0.157 31.510 31.700 -0.056 0.000 0.835 2073 N N -0.399 118.102 118.700 -0.331 0.000 2.376 2073 N HA -0.002 4.738 4.740 0.000 0.000 0.177 2073 N C 0.773 175.980 175.510 -0.506 0.000 1.024 2073 N CA 0.374 53.106 53.050 -0.529 0.000 0.893 2073 N CB -0.349 37.498 38.487 -1.066 0.000 0.980 2073 N HN 0.230 nan 8.380 nan 0.000 0.439 2074 N N 1.486 119.954 118.700 -0.387 0.000 2.492 2074 N HA 0.021 4.761 4.740 0.000 0.000 0.260 2074 N C 0.140 175.604 175.510 -0.078 0.000 1.215 2074 N CA 0.608 53.580 53.050 -0.129 0.000 0.923 2074 N CB 0.959 39.424 38.487 -0.037 0.000 1.092 2074 N HN 0.177 nan 8.380 nan 0.000 0.448 2075 T N -1.257 113.264 114.554 -0.056 0.000 2.856 2075 T HA 0.423 4.773 4.350 0.000 0.000 0.283 2075 T C -2.775 171.900 174.700 -0.041 0.000 1.008 2075 T CA -2.080 59.991 62.100 -0.048 0.000 0.997 2075 T CB 2.022 70.865 68.868 -0.041 0.000 0.992 2075 T HN 0.235 nan 8.240 nan 0.000 0.454 2076 P HA 0.209 nan 4.420 nan 0.000 0.263 2076 P C 1.047 178.346 177.300 -0.002 0.000 1.175 2076 P CA 1.105 64.195 63.100 -0.016 0.000 0.761 2076 P CB 0.358 32.027 31.700 -0.052 0.000 0.794 2077 G N 2.314 111.129 108.800 0.024 0.000 2.307 2077 G HA2 -0.167 3.793 3.960 0.000 0.000 0.210 2077 G HA3 -0.167 3.793 3.960 0.000 0.000 0.210 2077 G C -0.106 174.810 174.900 0.026 0.000 1.005 2077 G CA -0.307 44.812 45.100 0.033 0.000 0.634 2077 G HN 0.520 nan 8.290 nan 0.000 0.496 2078 D N 1.254 121.648 120.400 -0.011 0.000 2.493 2078 D HA 0.375 5.015 4.640 0.000 0.000 0.240 2078 D C 0.767 177.111 176.300 0.073 0.000 1.142 2078 D CA 0.286 54.278 54.000 -0.012 0.000 0.872 2078 D CB 1.602 42.321 40.800 -0.135 0.000 1.173 2078 D HN 0.219 nan 8.370 nan 0.000 0.467 2079 V N 4.624 124.636 119.914 0.164 0.000 2.455 2079 V HA 0.043 4.163 4.120 0.000 0.000 0.273 2079 V C 1.603 177.770 176.094 0.122 0.000 1.045 2079 V CA -0.220 62.133 62.300 0.087 0.000 0.976 2079 V CB 1.057 32.938 31.823 0.096 0.000 0.993 2079 V HN 0.457 nan 8.190 nan 0.000 0.475 2080 L N 5.237 126.429 121.223 -0.053 0.000 2.209 2080 L HA 0.237 4.577 4.340 0.000 0.000 0.207 2080 L C 0.371 177.309 176.870 0.115 0.000 1.094 2080 L CA 1.057 55.899 54.840 0.003 0.000 0.790 2080 L CB -0.041 41.863 42.059 -0.258 0.000 0.932 2080 L HN 0.754 nan 8.230 nan 0.000 0.447 2081 F N -3.385 116.544 119.950 -0.036 0.000 2.708 2081 F HA 0.514 5.041 4.527 0.000 0.000 0.309 2081 F C -1.675 174.117 175.800 -0.013 0.000 1.120 2081 F CA -1.690 56.307 58.000 -0.005 0.000 0.978 2081 F CB 0.858 39.845 39.000 -0.021 0.000 1.283 2081 F HN -0.325 nan 8.300 nan 0.000 0.439 2082 D N 3.421 123.981 120.400 0.267 0.000 2.421 2082 D HA 0.444 5.084 4.640 0.000 0.000 0.254 2082 D C -1.410 175.006 176.300 0.192 0.000 1.238 2082 D CA -0.045 54.048 54.000 0.155 0.000 0.919 2082 D CB 1.455 42.298 40.800 0.072 0.000 1.152 2082 D HN 0.725 nan 8.370 nan 0.000 0.552 2083 L N 2.262 123.619 121.223 0.223 0.000 2.295 2083 L HA 0.481 4.821 4.340 0.000 0.000 0.285 2083 L C 0.352 177.299 176.870 0.128 0.000 1.035 2083 L CA -0.764 54.175 54.840 0.165 0.000 0.806 2083 L CB 1.688 43.833 42.059 0.143 0.000 1.214 2083 L HN 0.301 nan 8.230 nan 0.000 0.426 2084 S N 2.948 118.745 115.700 0.163 0.000 2.473 2084 S HA 0.481 4.951 4.470 0.000 0.000 0.307 2084 S C -0.551 174.139 174.600 0.149 0.000 1.094 2084 S CA -0.849 57.452 58.200 0.169 0.000 1.070 2084 S CB 2.003 65.315 63.200 0.186 0.000 1.019 2084 S HN 0.438 nan 8.310 nan 0.000 0.480 2085 L N 3.094 124.389 121.223 0.121 0.000 2.578 2085 L HA 0.494 4.834 4.340 0.000 0.000 0.279 2085 L C 0.483 177.365 176.870 0.020 0.000 1.227 2085 L CA 1.858 56.741 54.840 0.071 0.000 0.900 2085 L CB -0.528 41.657 42.059 0.209 0.000 1.144 2085 L HN 1.136 nan 8.230 nan 0.000 0.496 2086 G N 3.657 112.213 108.800 -0.406 0.000 2.325 2086 G HA2 0.245 4.205 3.960 0.000 0.000 0.297 2086 G HA3 0.245 4.205 3.960 0.000 0.000 0.297 2086 G C -2.720 171.736 174.900 -0.740 0.000 1.448 2086 G CA -0.250 44.430 45.100 -0.700 0.000 0.838 2086 G HN 0.334 nan 8.290 nan 0.000 0.579 2087 P HA -0.050 nan 4.420 nan 0.000 0.222 2087 P C 1.388 178.604 177.300 -0.139 0.000 1.147 2087 P CA 1.334 64.261 63.100 -0.287 0.000 0.790 2087 P CB -0.109 31.631 31.700 0.065 0.000 0.780 2088 H N -1.018 118.009 119.070 -0.072 0.000 2.567 2088 H HA 0.072 4.628 4.556 0.000 0.000 0.276 2088 H C 1.115 176.441 175.328 -0.003 0.000 1.016 2088 H CA 0.489 56.540 56.048 0.005 0.000 1.186 2088 H CB -0.866 28.903 29.762 0.012 0.000 1.351 2088 H HN 0.227 nan 8.280 nan 0.000 0.605 2089 L N 0.076 121.049 121.223 -0.416 0.000 2.585 2089 L HA 0.129 4.469 4.340 0.000 0.000 0.226 2089 L C 0.628 177.408 176.870 -0.149 0.000 1.113 2089 L CA -0.004 54.665 54.840 -0.284 0.000 0.876 2089 L CB 0.071 41.912 42.059 -0.364 0.000 1.072 2089 L HN 0.190 nan 8.230 nan 0.000 0.468 2090 N N 0.320 118.943 118.700 -0.127 0.000 2.371 2090 N HA 0.191 4.931 4.740 0.000 0.000 0.291 2090 N C -2.237 173.253 175.510 -0.033 0.000 1.053 2090 N CA -1.514 51.483 53.050 -0.090 0.000 0.870 2090 N CB 2.666 41.081 38.487 -0.120 0.000 1.503 2090 N HN -0.292 nan 8.380 nan 0.000 0.485 2091 P HA -0.154 nan 4.420 nan 0.000 0.216 2091 P C 1.299 178.578 177.300 -0.036 0.000 1.154 2091 P CA 1.409 64.438 63.100 -0.117 0.000 0.865 2091 P CB 0.077 31.591 31.700 -0.310 0.000 0.789 2092 F N -0.487 119.502 119.950 0.065 0.000 2.128 2092 F HA -0.088 4.439 4.527 0.000 0.000 0.295 2092 F C 2.750 178.649 175.800 0.165 0.000 1.100 2092 F CA 0.514 58.574 58.000 0.100 0.000 1.260 2092 F CB -0.896 38.147 39.000 0.072 0.000 1.009 2092 F HN -0.269 nan 8.300 nan 0.000 0.476 2093 L N -0.337 121.086 121.223 0.333 0.000 2.012 2093 L HA -0.250 4.090 4.340 0.000 0.000 0.210 2093 L C 2.465 179.545 176.870 0.350 0.000 1.073 2093 L CA 0.778 55.834 54.840 0.361 0.000 0.748 2093 L CB -0.753 41.366 42.059 0.099 0.000 0.891 2093 L HN 0.206 nan 8.230 nan 0.000 0.431 2094 L N -0.566 120.796 121.223 0.232 0.000 2.043 2094 L HA -0.307 4.033 4.340 0.000 0.000 0.212 2094 L C 2.640 179.639 176.870 0.216 0.000 1.075 2094 L CA 1.930 56.901 54.840 0.219 0.000 0.752 2094 L CB -0.903 41.274 42.059 0.197 0.000 0.891 2094 L HN 0.307 nan 8.230 nan 0.000 0.432 2095 H N -0.842 118.310 119.070 0.137 0.000 2.389 2095 H HA -0.087 4.469 4.556 0.000 0.000 0.299 2095 H C 2.144 177.491 175.328 0.033 0.000 1.081 2095 H CA 1.865 57.969 56.048 0.094 0.000 1.345 2095 H CB 0.221 30.054 29.762 0.117 0.000 1.393 2095 H HN 0.408 nan 8.280 nan 0.000 0.520 2096 L N 0.174 121.417 121.223 0.032 0.000 2.217 2096 L HA -0.113 4.227 4.340 0.000 0.000 0.211 2096 L C 2.701 179.338 176.870 -0.388 0.000 1.107 2096 L CA 0.655 55.370 54.840 -0.209 0.000 0.783 2096 L CB -0.251 41.746 42.059 -0.102 0.000 0.919 2096 L HN 0.180 nan 8.230 nan 0.000 0.442 2097 S N -0.039 115.584 115.700 -0.128 0.000 2.374 2097 S HA -0.273 4.197 4.470 0.000 0.000 0.227 2097 S C 1.806 176.394 174.600 -0.021 0.000 1.037 2097 S CA 1.359 59.589 58.200 0.049 0.000 1.024 2097 S CB -0.353 62.988 63.200 0.235 0.000 0.861 2097 S HN 0.521 nan 8.310 nan 0.000 0.456 2098 Q N -0.174 119.569 119.800 -0.095 0.000 2.508 2098 Q HA 0.068 4.408 4.340 0.000 0.000 0.214 2098 Q C 1.835 177.727 176.000 -0.180 0.000 0.979 2098 Q CA 0.778 56.514 55.803 -0.111 0.000 0.911 2098 Q CB -0.238 28.410 28.738 -0.149 0.000 0.969 2098 Q HN 0.566 nan 8.270 nan 0.000 0.504 2099 M N -0.999 118.408 119.600 -0.322 0.000 2.421 2099 M HA 0.134 4.614 4.480 0.000 0.000 0.258 2099 M C -0.679 175.330 176.300 -0.484 0.000 1.122 2099 M CA 0.236 55.255 55.300 -0.468 0.000 1.078 2099 M CB 0.910 33.077 32.600 -0.721 0.000 1.380 2099 M HN -0.050 nan 8.290 nan 0.000 0.499 2100 Y N -0.458 119.782 120.300 -0.100 0.000 2.562 2100 Y HA 0.411 4.961 4.550 0.000 0.000 0.343 2100 Y C -0.328 175.665 175.900 0.155 0.000 1.025 2100 Y CA -1.283 56.834 58.100 0.029 0.000 1.082 2100 Y CB 0.978 39.437 38.460 -0.001 0.000 1.264 2100 Y HN -0.048 nan 8.280 nan 0.000 0.478 2101 N N 1.134 120.082 118.700 0.413 0.000 2.626 2101 N HA 0.526 5.266 4.740 0.000 0.000 0.242 2101 N C -0.644 175.066 175.510 0.333 0.000 1.005 2101 N CA 0.332 53.573 53.050 0.318 0.000 0.905 2101 N CB 0.669 39.283 38.487 0.212 0.000 1.128 2101 N HN 0.977 nan 8.380 nan 0.000 0.512 2102 G N 2.003 111.050 108.800 0.412 0.000 2.570 2102 G HA2 0.159 4.119 3.960 0.000 0.000 0.686 2102 G HA3 0.159 4.119 3.960 0.000 0.000 0.686 2102 G C -1.486 173.672 174.900 0.430 0.000 1.257 2102 G CA -0.500 44.804 45.100 0.340 0.000 0.846 2102 G HN 0.682 nan 8.290 nan 0.000 0.627 2103 W N -1.492 119.866 121.300 0.098 0.000 2.982 2103 W HA 0.693 5.353 4.660 0.000 0.000 0.344 2103 W C -1.144 175.287 176.519 -0.147 0.000 1.215 2103 W CA -0.627 56.611 57.345 -0.179 0.000 1.182 2103 W CB 0.612 29.898 29.460 -0.291 0.000 1.437 2103 W HN 1.473 nan 8.180 nan 0.000 0.570 2104 V N -0.044 119.771 119.914 -0.165 0.000 3.000 2104 V HA 0.966 5.086 4.120 0.000 0.000 0.300 2104 V C -0.124 175.850 176.094 -0.200 0.000 1.251 2104 V CA -0.182 62.040 62.300 -0.129 0.000 0.972 2104 V CB 0.720 32.462 31.823 -0.135 0.000 1.065 2104 V HN 1.827 nan 8.190 nan 0.000 0.431 2105 G N 1.988 110.841 108.800 0.088 0.000 2.347 2105 G HA2 0.234 4.194 3.960 0.000 0.000 0.321 2105 G HA3 0.234 4.194 3.960 0.000 0.000 0.321 2105 G C -2.030 173.110 174.900 0.400 0.000 1.412 2105 G CA -0.868 44.330 45.100 0.163 0.000 0.990 2105 G HN 0.793 nan 8.290 nan 0.000 0.637 2106 N N -0.013 118.879 118.700 0.321 0.000 2.443 2106 N HA 0.739 5.480 4.740 0.000 0.000 0.293 2106 N C -0.064 175.556 175.510 0.185 0.000 1.159 2106 N CA -0.456 52.739 53.050 0.242 0.000 0.904 2106 N CB 1.474 40.052 38.487 0.152 0.000 1.214 2106 N HN 0.441 nan 8.380 nan 0.000 0.513 2107 M N 0.858 120.517 119.600 0.100 0.000 2.598 2107 M HA 0.411 4.891 4.480 0.000 0.000 0.317 2107 M C -0.172 176.152 176.300 0.041 0.000 1.179 2107 M CA -0.458 54.840 55.300 -0.004 0.000 0.936 2107 M CB 1.937 34.499 32.600 -0.063 0.000 1.713 2107 M HN 0.210 nan 8.290 nan 0.000 0.460 2108 R N 0.872 121.396 120.500 0.041 0.000 2.343 2108 R HA 0.679 5.019 4.340 0.000 0.000 0.320 2108 R C -1.120 175.356 176.300 0.294 0.000 0.956 2108 R CA -0.581 55.623 56.100 0.173 0.000 0.836 2108 R CB 1.639 32.058 30.300 0.199 0.000 1.151 2108 R HN 0.399 nan 8.270 nan 0.000 0.450 2109 V N 3.547 123.593 119.914 0.220 0.000 2.581 2109 V HA 0.505 4.625 4.120 0.000 0.000 0.303 2109 V C 0.137 176.273 176.094 0.070 0.000 1.041 2109 V CA -0.834 61.564 62.300 0.163 0.000 0.907 2109 V CB 1.934 33.808 31.823 0.086 0.000 0.994 2109 V HN 0.671 nan 8.190 nan 0.000 0.442 2110 R N 4.267 124.752 120.500 -0.024 0.000 2.500 2110 R HA 0.556 4.896 4.340 0.000 0.000 0.299 2110 R C -0.875 175.388 176.300 -0.062 0.000 1.038 2110 R CA -0.491 55.505 56.100 -0.173 0.000 0.903 2110 R CB 1.878 31.842 30.300 -0.561 0.000 1.177 2110 R HN 0.831 nan 8.270 nan 0.000 0.455 2111 I N 0.328 120.910 120.570 0.020 0.000 2.385 2111 I HA 0.496 4.666 4.170 0.000 0.000 0.294 2111 I C -0.237 175.951 176.117 0.117 0.000 0.988 2111 I CA -0.688 60.690 61.300 0.130 0.000 1.265 2111 I CB 1.650 39.801 38.000 0.252 0.000 1.388 2111 I HN 0.497 nan 8.210 nan 0.000 0.480 2112 M N 7.269 126.953 119.600 0.141 0.000 2.294 2112 M HA 0.655 5.135 4.480 0.000 0.000 0.335 2112 M C -1.798 174.563 176.300 0.102 0.000 1.079 2112 M CA -0.505 54.840 55.300 0.076 0.000 0.982 2112 M CB 1.673 34.279 32.600 0.010 0.000 1.651 2112 M HN 0.730 nan 8.290 nan 0.000 0.437 2113 L N 3.713 124.988 121.223 0.087 0.000 2.341 2113 L HA 0.953 5.293 4.340 0.000 0.000 0.254 2113 L C -0.520 176.383 176.870 0.055 0.000 1.040 2113 L CA -0.800 54.093 54.840 0.088 0.000 0.837 2113 L CB 2.328 44.472 42.059 0.141 0.000 1.425 2113 L HN 0.839 nan 8.230 nan 0.000 0.414 2114 A N 0.449 123.305 122.820 0.061 0.000 2.056 2114 A HA 0.433 4.753 4.320 0.000 0.000 0.230 2114 A C 0.016 177.654 177.584 0.090 0.000 2.771 2114 A CA 0.014 52.085 52.037 0.058 0.000 1.995 2114 A CB -0.961 18.060 19.000 0.034 0.000 0.355 2114 A HN 0.811 nan 8.150 nan 0.000 0.878 2115 G N 0.364 109.243 108.800 0.132 0.000 2.699 2115 G HA2 0.334 4.295 3.960 0.000 0.000 0.246 2115 G HA3 0.334 4.295 3.960 0.000 0.000 0.246 2115 G C 0.186 175.214 174.900 0.214 0.000 1.219 2115 G CA -0.286 44.961 45.100 0.245 0.000 0.866 2115 G HN 0.505 nan 8.290 nan 0.000 0.572 2116 N N -0.452 118.428 118.700 0.299 0.000 2.329 2116 N HA 0.022 4.762 4.740 0.000 0.000 0.237 2116 N C 1.544 177.083 175.510 0.048 0.000 1.258 2116 N CA 0.495 53.646 53.050 0.168 0.000 0.866 2116 N CB 0.888 39.463 38.487 0.146 0.000 1.102 2116 N HN 0.517 nan 8.380 nan 0.000 0.440 2117 A N 2.078 124.865 122.820 -0.056 0.000 2.178 2117 A HA -0.100 4.220 4.320 0.000 0.000 0.218 2117 A C 1.433 178.839 177.584 -0.297 0.000 1.157 2117 A CA 1.102 53.014 52.037 -0.207 0.000 0.689 2117 A CB -0.497 18.303 19.000 -0.332 0.000 0.787 2117 A HN 0.660 nan 8.150 nan 0.000 0.465 2118 F N 0.531 120.425 119.950 -0.094 0.000 2.743 2118 F HA 0.048 4.575 4.527 0.000 0.000 0.297 2118 F C 1.486 177.187 175.800 -0.165 0.000 1.131 2118 F CA 0.779 58.698 58.000 -0.135 0.000 1.426 2118 F CB 0.061 38.951 39.000 -0.184 0.000 1.116 2118 F HN 0.155 nan 8.300 nan 0.000 0.583 2119 T N -0.797 113.753 114.554 -0.006 0.000 2.922 2119 T HA 0.790 5.140 4.350 0.000 0.000 0.285 2119 T C -0.259 174.449 174.700 0.013 0.000 1.005 2119 T CA -0.715 61.366 62.100 -0.031 0.000 1.061 2119 T CB 2.049 70.916 68.868 -0.000 0.000 1.007 2119 T HN 0.081 nan 8.240 nan 0.000 0.502 2120 A N 0.692 123.523 122.820 0.020 0.000 2.454 2120 A HA 1.036 5.356 4.320 0.000 0.000 0.302 2120 A C 0.128 177.736 177.584 0.040 0.000 1.079 2120 A CA -0.409 51.643 52.037 0.025 0.000 0.731 2120 A CB 1.534 20.541 19.000 0.011 0.000 1.299 2120 A HN 1.960 nan 8.150 nan 0.000 0.413 2121 G N 0.486 109.316 108.800 0.049 0.000 2.352 2121 G HA2 0.469 4.429 3.960 0.000 0.000 0.305 2121 G HA3 0.469 4.429 3.960 0.000 0.000 0.305 2121 G C -1.716 173.236 174.900 0.086 0.000 1.537 2121 G CA -0.928 44.208 45.100 0.060 0.000 0.959 2121 G HN 0.750 nan 8.290 nan 0.000 0.668 2122 K N -0.188 120.276 120.400 0.107 0.000 2.477 2122 K HA 0.745 5.065 4.320 0.000 0.000 0.255 2122 K C -0.088 176.621 176.600 0.183 0.000 0.952 2122 K CA -0.916 55.462 56.287 0.151 0.000 0.826 2122 K CB 2.833 35.456 32.500 0.205 0.000 1.331 2122 K HN 0.769 nan 8.250 nan 0.000 0.437 2123 I N -1.194 119.460 120.570 0.140 0.000 3.023 2123 I HA 0.663 4.833 4.170 0.000 0.000 0.312 2123 I C -0.853 175.269 176.117 0.009 0.000 1.056 2123 I CA -1.142 60.211 61.300 0.089 0.000 1.033 2123 I CB 1.850 39.872 38.000 0.036 0.000 1.233 2123 I HN 0.613 nan 8.210 nan 0.000 0.462 2124 I N 3.182 123.708 120.570 -0.074 0.000 2.569 2124 I HA 0.572 4.742 4.170 0.000 0.000 0.290 2124 I C -1.560 174.470 176.117 -0.146 0.000 1.088 2124 I CA -0.783 60.413 61.300 -0.172 0.000 1.047 2124 I CB 2.035 39.805 38.000 -0.383 0.000 1.237 2124 I HN 0.442 nan 8.210 nan 0.000 0.421 2125 V N 6.061 125.918 119.914 -0.095 0.000 2.448 2125 V HA 0.589 4.709 4.120 0.000 0.000 0.295 2125 V C -0.384 175.696 176.094 -0.023 0.000 1.025 2125 V CA -0.357 61.890 62.300 -0.088 0.000 0.859 2125 V CB 1.756 33.558 31.823 -0.035 0.000 0.988 2125 V HN 0.813 nan 8.190 nan 0.000 0.431 2126 S N 2.529 118.201 115.700 -0.046 0.000 2.536 2126 S HA 0.556 5.026 4.470 0.000 0.000 0.287 2126 S C -0.656 173.904 174.600 -0.067 0.000 1.101 2126 S CA -0.673 57.526 58.200 -0.002 0.000 0.950 2126 S CB 1.683 64.886 63.200 0.005 0.000 1.056 2126 S HN 0.728 nan 8.310 nan 0.000 0.481 2127 C N 2.834 122.118 119.300 -0.026 0.000 2.307 2127 C HA 0.576 5.036 4.460 0.000 0.000 0.340 2127 C C 0.186 175.079 174.990 -0.162 0.000 1.275 2127 C CA -0.803 58.185 59.018 -0.050 0.000 1.811 2127 C CB -1.351 26.402 27.740 0.022 0.000 2.372 2127 C HN 0.735 nan 8.230 nan 0.000 0.531 2128 I N 6.307 126.722 120.570 -0.258 0.000 2.362 2128 I HA 0.307 4.477 4.170 0.000 0.000 0.289 2128 I C -1.949 174.108 176.117 -0.100 0.000 0.994 2128 I CA -1.868 59.176 61.300 -0.427 0.000 1.158 2128 I CB 1.698 39.347 38.000 -0.585 0.000 1.315 2128 I HN 0.418 nan 8.210 nan 0.000 0.451 2129 P HA 0.121 nan 4.420 nan 0.000 0.268 2129 P C -2.561 174.826 177.300 0.145 0.000 1.205 2129 P CA -1.201 61.961 63.100 0.104 0.000 0.771 2129 P CB -0.069 31.718 31.700 0.144 0.000 0.858 2130 P HA 0.059 nan 4.420 nan 0.000 0.271 2130 P C 0.853 178.245 177.300 0.153 0.000 1.216 2130 P CA 0.763 63.945 63.100 0.138 0.000 0.771 2130 P CB 0.264 32.038 31.700 0.122 0.000 0.864 2131 G N 2.278 111.174 108.800 0.161 0.000 2.201 2131 G HA2 -0.307 3.653 3.960 0.000 0.000 0.212 2131 G HA3 -0.307 3.653 3.960 0.000 0.000 0.212 2131 G C 0.399 175.425 174.900 0.211 0.000 0.994 2131 G CA 0.101 45.291 45.100 0.150 0.000 0.644 2131 G HN 0.479 nan 8.290 nan 0.000 0.508 2132 F N 1.885 121.905 119.950 0.116 0.000 2.187 2132 F HA 0.424 4.951 4.527 0.000 0.000 0.295 2132 F C 1.723 177.652 175.800 0.214 0.000 1.091 2132 F CA 2.842 60.944 58.000 0.169 0.000 1.308 2132 F CB 0.066 39.180 39.000 0.190 0.000 1.030 2132 F HN 1.346 nan 8.300 nan 0.000 0.487 2133 G N -0.200 108.647 108.800 0.080 0.000 2.610 2133 G HA2 -0.033 3.927 3.960 0.000 0.000 0.304 2133 G HA3 -0.033 3.927 3.960 0.000 0.000 0.304 2133 G C -0.785 174.062 174.900 -0.087 0.000 1.309 2133 G CA -0.440 44.614 45.100 -0.077 0.000 0.906 2133 G HN 0.904 nan 8.290 nan 0.000 0.521 2134 S N -0.246 115.311 115.700 -0.239 0.000 2.457 2134 S HA 0.796 5.266 4.470 0.000 0.000 0.289 2134 S C -0.419 173.917 174.600 -0.440 0.000 1.163 2134 S CA -0.282 57.812 58.200 -0.177 0.000 1.078 2134 S CB 1.603 64.729 63.200 -0.124 0.000 0.987 2134 S HN 1.026 nan 8.310 nan 0.000 0.482 2135 H N 0.508 119.589 119.070 0.018 0.000 3.046 2135 H HA 0.433 4.989 4.556 0.000 0.000 0.363 2135 H C -1.001 174.394 175.328 0.112 0.000 1.203 2135 H CA -0.859 55.212 56.048 0.039 0.000 1.169 2135 H CB 1.125 30.903 29.762 0.026 0.000 1.851 2135 H HN 0.560 nan 8.280 nan 0.000 0.546 2136 N N 2.349 121.177 118.700 0.214 0.000 2.401 2136 N HA 0.157 4.897 4.740 0.000 0.000 0.255 2136 N C -0.718 174.905 175.510 0.188 0.000 1.110 2136 N CA -0.095 53.053 53.050 0.164 0.000 0.949 2136 N CB 0.692 39.252 38.487 0.121 0.000 1.110 2136 N HN 0.362 nan 8.380 nan 0.000 0.490 2137 L N 1.396 122.728 121.223 0.181 0.000 2.334 2137 L HA 0.326 4.666 4.340 0.000 0.000 0.277 2137 L C 1.381 178.325 176.870 0.123 0.000 1.075 2137 L CA -0.674 54.272 54.840 0.177 0.000 0.804 2137 L CB 1.052 43.216 42.059 0.176 0.000 1.174 2137 L HN 0.458 nan 8.230 nan 0.000 0.438 2138 T N -1.268 113.352 114.554 0.111 0.000 2.902 2138 T HA 0.304 4.655 4.350 0.000 0.000 0.280 2138 T C 1.301 176.054 174.700 0.087 0.000 0.992 2138 T CA -0.714 61.437 62.100 0.084 0.000 1.015 2138 T CB 1.083 69.992 68.868 0.069 0.000 1.044 2138 T HN 0.476 nan 8.240 nan 0.000 0.520 2139 I N 0.781 121.406 120.570 0.092 0.000 2.248 2139 I HA 0.014 4.184 4.170 0.000 0.000 0.248 2139 I C 2.654 178.852 176.117 0.134 0.000 1.107 2139 I CA 1.759 63.147 61.300 0.145 0.000 1.373 2139 I CB -1.415 36.709 38.000 0.207 0.000 1.055 2139 I HN 0.710 nan 8.210 nan 0.000 0.418 2140 A N 0.402 123.279 122.820 0.095 0.000 1.969 2140 A HA -0.153 4.167 4.320 0.000 0.000 0.218 2140 A C 2.328 179.923 177.584 0.018 0.000 1.169 2140 A CA 1.489 53.560 52.037 0.057 0.000 0.635 2140 A CB -0.597 18.426 19.000 0.039 0.000 0.810 2140 A HN 0.652 nan 8.150 nan 0.000 0.445 2141 Q N -0.512 119.315 119.800 0.045 0.000 2.083 2141 Q HA -0.086 4.254 4.340 0.000 0.000 0.198 2141 Q C 2.413 178.462 176.000 0.082 0.000 0.969 2141 Q CA 1.306 57.141 55.803 0.053 0.000 0.838 2141 Q CB -0.525 28.288 28.738 0.126 0.000 0.900 2141 Q HN 0.650 nan 8.270 nan 0.000 0.436 2142 A N 1.272 124.150 122.820 0.097 0.000 1.986 2142 A HA -0.182 4.138 4.320 0.000 0.000 0.220 2142 A C 2.257 179.819 177.584 -0.037 0.000 1.171 2142 A CA 1.948 54.046 52.037 0.101 0.000 0.640 2142 A CB -0.846 18.149 19.000 -0.008 0.000 0.811 2142 A HN 0.402 nan 8.150 nan 0.000 0.451 2143 T N 0.545 114.973 114.554 -0.210 0.000 2.833 2143 T HA -0.065 4.285 4.350 0.000 0.000 0.269 2143 T C 1.622 176.203 174.700 -0.199 0.000 1.054 2143 T CA 1.342 63.148 62.100 -0.489 0.000 1.135 2143 T CB -0.387 68.289 68.868 -0.320 0.000 0.869 2143 T HN 0.439 nan 8.240 nan 0.000 0.466 2144 L N -0.767 120.365 121.223 -0.152 0.000 2.362 2144 L HA 0.137 4.477 4.340 0.000 0.000 0.219 2144 L C 0.428 177.107 176.870 -0.318 0.000 1.134 2144 L CA 0.573 55.264 54.840 -0.249 0.000 0.807 2144 L CB -0.456 41.365 42.059 -0.397 0.000 0.927 2144 L HN 0.189 nan 8.230 nan 0.000 0.447 2145 F N 0.126 120.062 119.950 -0.023 0.000 2.403 2145 F HA 0.344 4.871 4.527 0.000 0.000 0.326 2145 F C -1.745 174.122 175.800 0.111 0.000 1.081 2145 F CA -2.789 55.201 58.000 -0.017 0.000 1.041 2145 F CB 0.215 39.163 39.000 -0.088 0.000 1.234 2145 F HN -0.292 nan 8.300 nan 0.000 0.503 2146 P HA -0.001 nan 4.420 nan 0.000 0.262 2146 P C -1.107 176.261 177.300 0.113 0.000 1.199 2146 P CA 0.662 63.816 63.100 0.090 0.000 0.763 2146 P CB 0.181 31.912 31.700 0.053 0.000 0.790 2147 H N 0.851 119.925 119.070 0.006 0.000 2.941 2147 H HA 0.711 5.267 4.556 0.000 0.000 0.344 2147 H C -1.498 173.805 175.328 -0.041 0.000 1.235 2147 H CA -1.292 54.740 56.048 -0.026 0.000 1.149 2147 H CB 1.298 31.026 29.762 -0.056 0.000 1.885 2147 H HN 0.116 nan 8.280 nan 0.000 0.558 2148 V N 1.532 121.469 119.914 0.038 0.000 2.808 2148 V HA 0.382 4.502 4.120 0.000 0.000 0.308 2148 V C -0.289 175.814 176.094 0.016 0.000 1.099 2148 V CA -0.653 61.643 62.300 -0.006 0.000 0.920 2148 V CB 2.146 33.964 31.823 -0.009 0.000 1.014 2148 V HN 0.631 nan 8.190 nan 0.000 0.425 2149 I N 3.028 123.604 120.570 0.010 0.000 2.569 2149 I HA 0.908 5.078 4.170 0.000 0.000 0.296 2149 I C -0.035 176.097 176.117 0.024 0.000 1.028 2149 I CA -0.648 60.643 61.300 -0.016 0.000 1.082 2149 I CB 2.123 40.101 38.000 -0.038 0.000 1.264 2149 I HN 0.732 nan 8.210 nan 0.000 0.429 2150 A N 3.877 126.723 122.820 0.043 0.000 2.515 2150 A HA 0.464 4.784 4.320 0.000 0.000 0.298 2150 A C -1.475 176.158 177.584 0.080 0.000 1.059 2150 A CA -0.616 51.456 52.037 0.059 0.000 0.698 2150 A CB 1.802 20.837 19.000 0.059 0.000 1.289 2150 A HN 0.714 nan 8.150 nan 0.000 0.404 2151 D N 1.527 121.971 120.400 0.073 0.000 2.264 2151 D HA 0.231 4.871 4.640 0.000 0.000 0.250 2151 D C 1.622 177.973 176.300 0.085 0.000 1.113 2151 D CA 0.254 54.300 54.000 0.076 0.000 0.871 2151 D CB 1.751 42.585 40.800 0.057 0.000 1.167 2151 D HN 0.602 nan 8.370 nan 0.000 0.447 2152 V N 3.099 123.073 119.914 0.100 0.000 2.794 2152 V HA -0.210 3.910 4.120 0.000 0.000 0.260 2152 V C 1.810 177.966 176.094 0.104 0.000 1.103 2152 V CA 1.235 63.607 62.300 0.120 0.000 1.125 2152 V CB -0.695 31.211 31.823 0.138 0.000 0.702 2152 V HN 0.496 nan 8.190 nan 0.000 0.494 2153 R N 1.364 121.911 120.500 0.078 0.000 2.240 2153 R HA 0.080 4.420 4.340 0.000 0.000 0.203 2153 R C 1.090 177.419 176.300 0.048 0.000 1.011 2153 R CA 0.705 56.842 56.100 0.062 0.000 1.007 2153 R CB -0.607 29.714 30.300 0.036 0.000 0.911 2153 R HN 0.744 nan 8.270 nan 0.000 0.468 2154 T N -0.160 114.423 114.554 0.049 0.000 2.765 2154 T HA -0.047 4.303 4.350 0.000 0.000 0.275 2154 T C 1.386 176.106 174.700 0.033 0.000 1.007 2154 T CA -0.000 62.122 62.100 0.037 0.000 1.175 2154 T CB 0.649 69.541 68.868 0.041 0.000 0.993 2154 T HN 0.047 nan 8.240 nan 0.000 0.510 2155 L N 1.860 123.096 121.223 0.021 0.000 1.948 2155 L HA 0.009 4.349 4.340 0.000 0.000 0.212 2155 L C 1.135 178.011 176.870 0.009 0.000 1.074 2155 L CA 1.306 56.156 54.840 0.016 0.000 0.753 2155 L CB -0.393 41.672 42.059 0.009 0.000 0.888 2155 L HN 0.670 nan 8.230 nan 0.000 0.432 2156 D N 1.333 121.735 120.400 0.003 0.000 2.425 2156 D HA 0.094 4.734 4.640 0.000 0.000 0.247 2156 D C -2.155 174.138 176.300 -0.012 0.000 1.147 2156 D CA -0.985 53.010 54.000 -0.009 0.000 0.879 2156 D CB 0.209 41.003 40.800 -0.010 0.000 1.179 2156 D HN 0.091 nan 8.370 nan 0.000 0.456 2157 P HA -0.012 nan 4.420 nan 0.000 0.265 2157 P C -0.366 176.903 177.300 -0.052 0.000 1.193 2157 P CA -0.233 62.840 63.100 -0.046 0.000 0.765 2157 P CB 0.602 32.238 31.700 -0.108 0.000 0.823 2158 I N 2.163 122.724 120.570 -0.015 0.000 2.496 2158 I HA 0.222 4.392 4.170 0.000 0.000 0.285 2158 I C 1.005 177.101 176.117 -0.035 0.000 1.080 2158 I CA -0.190 61.106 61.300 -0.007 0.000 1.404 2158 I CB -0.376 37.644 38.000 0.033 0.000 1.403 2158 I HN 0.475 nan 8.210 nan 0.000 0.539 2159 E N 5.409 125.588 120.200 -0.036 0.000 2.158 2159 E HA 0.572 4.922 4.350 0.000 0.000 0.271 2159 E C -1.622 174.989 176.600 0.019 0.000 0.911 2159 E CA -0.507 55.873 56.400 -0.034 0.000 0.767 2159 E CB 1.691 31.364 29.700 -0.044 0.000 1.120 2159 E HN 0.402 nan 8.360 nan 0.000 0.405 2160 V N 6.831 126.771 119.914 0.045 0.000 2.531 2160 V HA 0.411 4.531 4.120 0.000 0.000 0.301 2160 V C -2.298 173.841 176.094 0.076 0.000 1.034 2160 V CA -1.727 60.607 62.300 0.056 0.000 0.865 2160 V CB 1.752 33.611 31.823 0.061 0.000 0.995 2160 V HN 0.676 nan 8.190 nan 0.000 0.424 2161 P HA 0.240 nan 4.420 nan 0.000 0.287 2161 P C -0.859 176.487 177.300 0.076 0.000 1.281 2161 P CA -0.408 62.739 63.100 0.079 0.000 0.781 2161 P CB 1.761 33.503 31.700 0.070 0.000 0.903 2162 L N 4.590 125.862 121.223 0.082 0.000 2.302 2162 L HA 0.229 4.569 4.340 0.000 0.000 0.285 2162 L C 0.425 177.359 176.870 0.108 0.000 1.090 2162 L CA -0.090 54.802 54.840 0.086 0.000 0.866 2162 L CB -0.299 41.804 42.059 0.074 0.000 1.244 2162 L HN 0.272 nan 8.230 nan 0.000 0.435 2163 E N 2.381 122.643 120.200 0.103 0.000 2.360 2163 E HA 0.009 4.359 4.350 0.000 0.000 0.269 2163 E C -0.596 176.092 176.600 0.148 0.000 1.022 2163 E CA -0.199 56.269 56.400 0.114 0.000 0.887 2163 E CB 1.025 30.778 29.700 0.088 0.000 0.990 2163 E HN 0.380 nan 8.360 nan 0.000 0.426 2164 D N 2.808 123.314 120.400 0.176 0.000 2.558 2164 D HA 0.082 4.722 4.640 0.000 0.000 0.221 2164 D C -0.734 175.662 176.300 0.161 0.000 1.143 2164 D CA -0.400 53.736 54.000 0.226 0.000 1.010 2164 D CB -0.125 40.850 40.800 0.293 0.000 1.068 2164 D HN 0.008 nan 8.370 nan 0.000 0.511 2165 V N 4.206 124.204 119.914 0.139 0.000 2.485 2165 V HA 0.166 4.286 4.120 0.000 0.000 0.287 2165 V C 0.911 177.064 176.094 0.099 0.000 1.022 2165 V CA 0.298 62.657 62.300 0.099 0.000 1.067 2165 V CB 0.300 32.179 31.823 0.093 0.000 0.967 2165 V HN 0.321 nan 8.190 nan 0.000 0.479 2166 R N 3.406 123.930 120.500 0.040 0.000 2.744 2166 R HA 0.359 4.699 4.340 0.000 0.000 0.279 2166 R C 0.543 176.819 176.300 -0.039 0.000 0.977 2166 R CA -0.779 55.310 56.100 -0.018 0.000 0.906 2166 R CB 1.331 31.553 30.300 -0.130 0.000 1.197 2166 R HN 0.584 nan 8.270 nan 0.000 0.463 2167 N N 0.737 119.403 118.700 -0.057 0.000 2.432 2167 N HA -0.021 4.719 4.740 0.000 0.000 0.174 2167 N C 0.141 175.586 175.510 -0.108 0.000 1.037 2167 N CA 0.579 53.595 53.050 -0.057 0.000 0.892 2167 N CB 0.591 39.057 38.487 -0.034 0.000 1.049 2167 N HN 0.365 nan 8.380 nan 0.000 0.442 2168 V N -1.667 118.140 119.914 -0.178 0.000 3.177 2168 V HA 0.391 4.511 4.120 0.000 0.000 0.319 2168 V C 1.750 177.657 176.094 -0.311 0.000 1.125 2168 V CA -0.819 61.328 62.300 -0.256 0.000 1.029 2168 V CB 1.094 32.720 31.823 -0.328 0.000 1.119 2168 V HN -0.061 nan 8.190 nan 0.000 0.452 2169 L N 0.176 121.183 121.223 -0.360 0.000 2.083 2169 L HA 0.074 4.414 4.340 0.000 0.000 0.209 2169 L C 0.856 177.596 176.870 -0.216 0.000 1.083 2169 L CA 2.061 56.741 54.840 -0.266 0.000 0.752 2169 L CB -0.540 41.394 42.059 -0.208 0.000 0.899 2169 L HN 0.858 nan 8.230 nan 0.000 0.433 2170 F N -3.844 115.893 119.950 -0.355 0.000 3.052 2170 F HA 0.510 5.037 4.527 0.000 0.000 0.323 2170 F C -0.627 174.769 175.800 -0.674 0.000 1.178 2170 F CA -1.718 55.977 58.000 -0.508 0.000 0.892 2170 F CB 0.878 39.697 39.000 -0.301 0.000 1.416 2170 F HN -0.266 nan 8.300 nan 0.000 0.488 2171 H N -0.200 118.797 119.070 -0.122 0.000 2.616 2171 H HA 0.614 5.170 4.556 0.000 0.000 0.353 2171 H C -0.881 174.407 175.328 -0.067 0.000 1.170 2171 H CA -0.938 54.908 56.048 -0.336 0.000 1.212 2171 H CB 1.415 30.566 29.762 -1.018 0.000 1.653 2171 H HN 0.475 nan 8.280 nan 0.000 0.537 2172 N N 0.294 119.072 118.700 0.130 0.000 2.453 2172 N HA 0.192 4.932 4.740 0.000 0.000 0.290 2172 N C -0.661 174.976 175.510 0.212 0.000 1.250 2172 N CA -0.747 52.412 53.050 0.182 0.000 0.815 2172 N CB 1.193 39.763 38.487 0.138 0.000 1.381 2172 N HN 0.532 nan 8.380 nan 0.000 0.510 2173 N N 1.285 120.125 118.700 0.233 0.000 3.331 2173 N HA 0.101 4.841 4.740 0.000 0.000 0.303 2173 N C -1.032 174.572 175.510 0.158 0.000 1.326 2173 N CA -0.077 53.120 53.050 0.247 0.000 1.207 2173 N CB -0.263 38.381 38.487 0.261 0.000 1.477 2173 N HN 0.563 nan 8.380 nan 0.000 0.541 2174 D N -2.199 118.279 120.400 0.131 0.000 2.687 2174 D HA 0.252 4.892 4.640 0.000 0.000 0.264 2174 D C 0.692 177.035 176.300 0.072 0.000 1.091 2174 D CA -0.756 53.294 54.000 0.084 0.000 1.123 2174 D CB 1.358 42.194 40.800 0.061 0.000 1.407 2174 D HN -0.119 nan 8.370 nan 0.000 0.591 2175 R N -0.770 119.757 120.500 0.045 0.000 2.317 2175 R HA 0.152 4.492 4.340 0.000 0.000 0.208 2175 R C 0.287 176.605 176.300 0.030 0.000 0.914 2175 R CA -0.060 56.058 56.100 0.031 0.000 1.060 2175 R CB -0.102 30.207 30.300 0.014 0.000 1.015 2175 R HN 0.359 nan 8.270 nan 0.000 0.498 2176 N N 0.608 119.328 118.700 0.033 0.000 2.515 2176 N HA -0.057 4.683 4.740 0.000 0.000 0.185 2176 N C -0.302 175.230 175.510 0.037 0.000 1.109 2176 N CA 0.592 53.658 53.050 0.026 0.000 0.903 2176 N CB 0.313 38.810 38.487 0.016 0.000 0.969 2176 N HN 0.203 nan 8.380 nan 0.000 0.450 2177 Q N 0.996 120.829 119.800 0.056 0.000 2.243 2177 Q HA 0.288 4.628 4.340 0.000 0.000 0.252 2177 Q C -0.171 175.868 176.000 0.064 0.000 0.909 2177 Q CA 0.142 55.989 55.803 0.074 0.000 0.922 2177 Q CB 1.563 30.355 28.738 0.090 0.000 1.215 2177 Q HN 0.188 nan 8.270 nan 0.000 0.427 2178 Q N 1.558 121.401 119.800 0.072 0.000 2.309 2178 Q HA 0.384 4.724 4.340 0.000 0.000 0.270 2178 Q C -0.442 175.611 176.000 0.088 0.000 1.023 2178 Q CA -0.389 55.459 55.803 0.075 0.000 0.758 2178 Q CB 1.941 30.723 28.738 0.074 0.000 1.247 2178 Q HN 0.726 nan 8.270 nan 0.000 0.455 2179 T N -1.086 113.522 114.554 0.089 0.000 2.922 2179 T HA 0.656 5.006 4.350 0.000 0.000 0.281 2179 T C 0.186 174.962 174.700 0.127 0.000 1.005 2179 T CA -0.882 61.284 62.100 0.110 0.000 0.982 2179 T CB 1.276 70.239 68.868 0.158 0.000 1.158 2179 T HN 0.553 nan 8.240 nan 0.000 0.566 2180 M N 0.743 120.427 119.600 0.140 0.000 2.241 2180 M HA 0.401 4.881 4.480 0.000 0.000 0.335 2180 M C -0.119 176.236 176.300 0.091 0.000 1.122 2180 M CA -0.174 55.191 55.300 0.109 0.000 1.164 2180 M CB 0.540 33.206 32.600 0.110 0.000 1.459 2180 M HN 0.584 nan 8.290 nan 0.000 0.461 2181 R N 3.245 123.774 120.500 0.049 0.000 2.873 2181 R HA 0.678 5.018 4.340 0.000 0.000 0.264 2181 R C -1.475 174.831 176.300 0.011 0.000 1.026 2181 R CA -0.953 55.170 56.100 0.038 0.000 1.002 2181 R CB 1.646 31.958 30.300 0.020 0.000 1.174 2181 R HN 0.703 nan 8.270 nan 0.000 0.488 2182 L N 2.518 123.766 121.223 0.042 0.000 2.388 2182 L HA 0.385 4.725 4.340 0.000 0.000 0.267 2182 L C -1.189 175.695 176.870 0.023 0.000 0.995 2182 L CA -0.754 54.114 54.840 0.047 0.000 0.864 2182 L CB 1.896 44.034 42.059 0.131 0.000 1.216 2182 L HN 0.322 nan 8.230 nan 0.000 0.430 2183 V N 2.628 122.491 119.914 -0.085 0.000 2.394 2183 V HA 0.270 4.390 4.120 0.000 0.000 0.282 2183 V C -0.069 175.849 176.094 -0.293 0.000 1.031 2183 V CA -0.507 61.697 62.300 -0.160 0.000 0.881 2183 V CB 1.794 33.537 31.823 -0.134 0.000 0.982 2183 V HN 0.806 nan 8.190 nan 0.000 0.451 2184 C N 8.163 127.110 119.300 -0.588 0.000 2.319 2184 C HA 0.819 5.279 4.460 0.000 0.000 0.323 2184 C C -0.204 174.487 174.990 -0.498 0.000 1.277 2184 C CA -0.598 57.986 59.018 -0.722 0.000 1.517 2184 C CB -0.230 26.558 27.740 -1.588 0.000 2.206 2184 C HN 0.944 nan 8.230 nan 0.000 0.486 2185 M N 4.854 124.295 119.600 -0.265 0.000 2.690 2185 M HA 0.471 4.951 4.480 0.000 0.000 0.302 2185 M C -0.828 175.441 176.300 -0.051 0.000 1.234 2185 M CA -0.925 54.302 55.300 -0.122 0.000 0.853 2185 M CB 1.525 34.101 32.600 -0.039 0.000 1.748 2185 M HN 0.453 nan 8.290 nan 0.000 0.469 2186 L N 1.173 122.402 121.223 0.011 0.000 2.367 2186 L HA 0.104 4.444 4.340 0.000 0.000 0.275 2186 L C -0.041 176.909 176.870 0.133 0.000 1.129 2186 L CA 0.507 55.383 54.840 0.061 0.000 0.839 2186 L CB 0.332 42.419 42.059 0.046 0.000 1.133 2186 L HN 0.626 nan 8.230 nan 0.000 0.453 2187 Y N 2.859 123.149 120.300 -0.017 0.000 2.301 2187 Y HA 0.186 4.736 4.550 0.000 0.000 0.295 2187 Y C 0.886 176.781 175.900 -0.009 0.000 1.126 2187 Y CA 0.698 58.789 58.100 -0.016 0.000 1.154 2187 Y CB 0.157 38.610 38.460 -0.011 0.000 1.075 2187 Y HN 0.705 nan 8.280 nan 0.000 0.534 2188 T N -0.164 114.369 114.554 -0.036 0.000 2.907 2188 T HA 0.487 4.837 4.350 0.000 0.000 0.292 2188 T C -2.983 171.696 174.700 -0.035 0.000 1.043 2188 T CA -2.425 59.607 62.100 -0.113 0.000 1.003 2188 T CB 2.193 70.997 68.868 -0.107 0.000 1.084 2188 T HN -0.090 nan 8.240 nan 0.000 0.483 2189 P HA 0.144 nan 4.420 nan 0.000 0.266 2189 P C -0.550 176.746 177.300 -0.007 0.000 1.195 2189 P CA -0.530 62.554 63.100 -0.028 0.000 0.768 2189 P CB 0.521 32.198 31.700 -0.039 0.000 0.838 2190 L N 4.679 125.904 121.223 0.004 0.000 2.305 2190 L HA 0.354 4.694 4.340 0.000 0.000 0.281 2190 L C 0.149 177.024 176.870 0.009 0.000 1.085 2190 L CA 0.239 55.095 54.840 0.027 0.000 0.813 2190 L CB 0.197 42.288 42.059 0.053 0.000 1.157 2190 L HN 0.332 nan 8.230 nan 0.000 0.436 2191 R N 3.074 123.579 120.500 0.009 0.000 2.510 2191 R HA 0.354 4.694 4.340 0.000 0.000 0.287 2191 R C -0.961 175.320 176.300 -0.032 0.000 1.084 2191 R CA -0.555 55.537 56.100 -0.013 0.000 0.934 2191 R CB 1.646 31.935 30.300 -0.018 0.000 1.201 2191 R HN 0.772 nan 8.270 nan 0.000 0.431 2192 T N -0.506 114.005 114.554 -0.072 0.000 2.889 2192 T HA 0.553 4.903 4.350 0.000 0.000 0.291 2192 T C 0.749 175.385 174.700 -0.106 0.000 0.995 2192 T CA -0.486 61.517 62.100 -0.161 0.000 1.092 2192 T CB 1.882 70.553 68.868 -0.328 0.000 0.954 2192 T HN 0.603 nan 8.240 nan 0.000 0.506 2193 G N 0.687 109.455 108.800 -0.054 0.000 2.736 2193 G HA2 0.698 4.658 3.960 0.000 0.000 0.229 2193 G HA3 0.698 4.658 3.960 0.000 0.000 0.229 2193 G C 0.666 175.476 174.900 -0.151 0.000 1.380 2193 G CA -0.359 44.735 45.100 -0.010 0.000 1.040 2193 G HN 1.599 nan 8.290 nan 0.000 0.568 2194 G N -1.235 107.467 108.800 -0.163 0.000 2.575 2194 G HA2 0.238 4.198 3.960 0.000 0.000 0.267 2194 G HA3 0.238 4.198 3.960 0.000 0.000 0.267 2194 G C 0.918 175.604 174.900 -0.358 0.000 1.264 2194 G CA 0.469 45.254 45.100 -0.525 0.000 0.935 2194 G HN 1.797 nan 8.290 nan 0.000 0.568 2195 G N -0.004 108.553 108.800 -0.405 0.000 3.455 2195 G HA2 0.467 4.427 3.960 0.000 0.000 0.250 2195 G HA3 0.467 4.427 3.960 0.000 0.000 0.250 2195 G C 0.724 175.502 174.900 -0.203 0.000 1.071 2195 G CA 1.001 45.958 45.100 -0.238 0.000 1.812 2195 G HN 1.431 nan 8.290 nan 0.000 0.643 2196 T N 0.863 115.298 114.554 -0.198 0.000 2.237 2196 T HA 0.038 4.388 4.350 0.000 0.000 0.187 2196 T C 1.135 175.784 174.700 -0.085 0.000 1.119 2196 T CA 0.854 62.865 62.100 -0.149 0.000 2.157 2196 T CB 0.034 68.838 68.868 -0.107 0.000 0.989 2196 T HN 0.446 nan 8.240 nan 0.000 0.409 2197 G N 2.673 111.440 108.800 -0.055 0.000 2.475 2197 G HA2 0.304 4.264 3.960 0.000 0.000 0.322 2197 G HA3 0.304 4.264 3.960 0.000 0.000 0.322 2197 G C 0.670 175.604 174.900 0.058 0.000 1.044 2197 G CA -0.744 44.361 45.100 0.008 0.000 1.047 2197 G HN 0.548 nan 8.290 nan 0.000 0.436 2198 D N 1.836 122.252 120.400 0.027 0.000 2.389 2198 D HA -0.154 4.486 4.640 0.000 0.000 0.221 2198 D C 2.575 178.902 176.300 0.045 0.000 0.974 2198 D CA 1.306 55.326 54.000 0.033 0.000 0.923 2198 D CB 0.317 41.117 40.800 0.001 0.000 0.892 2198 D HN 0.529 nan 8.370 nan 0.000 0.518 2199 S N -0.468 115.262 115.700 0.050 0.000 2.515 2199 S HA -0.114 4.356 4.470 0.000 0.000 0.231 2199 S C 0.740 175.355 174.600 0.026 0.000 0.987 2199 S CA -0.377 57.837 58.200 0.024 0.000 0.936 2199 S CB -0.520 62.691 63.200 0.018 0.000 0.766 2199 S HN 0.186 nan 8.310 nan 0.000 0.528 2200 F N 3.783 123.707 119.950 -0.043 0.000 2.506 2200 F HA 0.450 4.978 4.527 0.000 0.000 0.371 2200 F C -0.090 175.680 175.800 -0.050 0.000 1.078 2200 F CA -0.497 57.479 58.000 -0.040 0.000 1.195 2200 F CB 0.821 39.802 39.000 -0.032 0.000 1.099 2200 F HN 0.125 nan 8.300 nan 0.000 0.548 2201 V N 4.107 123.766 119.914 -0.424 0.000 3.049 2201 V HA 0.634 4.754 4.120 0.000 0.000 0.309 2201 V C -1.072 174.714 176.094 -0.513 0.000 1.148 2201 V CA -1.110 61.039 62.300 -0.251 0.000 0.990 2201 V CB 1.264 32.966 31.823 -0.202 0.000 1.039 2201 V HN 0.410 nan 8.190 nan 0.000 0.430 2202 V N 2.382 122.162 119.914 -0.223 0.000 2.432 2202 V HA 0.703 4.823 4.120 0.000 0.000 0.275 2202 V C 0.858 176.815 176.094 -0.229 0.000 1.043 2202 V CA 0.311 62.493 62.300 -0.198 0.000 0.925 2202 V CB 1.178 33.022 31.823 0.034 0.000 0.985 2202 V HN 1.326 nan 8.190 nan 0.000 0.466 2203 A N 4.412 127.069 122.820 -0.271 0.000 2.260 2203 A HA 0.724 5.044 4.320 0.000 0.000 0.312 2203 A C 0.567 177.917 177.584 -0.389 0.000 1.321 2203 A CA 0.023 51.881 52.037 -0.298 0.000 0.928 2203 A CB 0.219 19.089 19.000 -0.217 0.000 1.158 2203 A HN 0.992 nan 8.150 nan 0.000 0.542 2204 G N 1.896 110.215 108.800 -0.801 0.000 2.437 2204 G HA2 0.624 4.584 3.960 0.000 0.000 0.319 2204 G HA3 0.624 4.584 3.960 0.000 0.000 0.319 2204 G C -0.386 174.025 174.900 -0.815 0.000 1.158 2204 G CA -0.631 43.736 45.100 -1.222 0.000 0.899 2204 G HN 0.625 nan 8.290 nan 0.000 0.502 2205 R N -0.332 119.980 120.500 -0.312 0.000 2.673 2205 R HA 0.533 4.873 4.340 0.000 0.000 0.281 2205 R C -1.447 174.903 176.300 0.083 0.000 0.991 2205 R CA -0.739 55.316 56.100 -0.075 0.000 0.896 2205 R CB 2.098 32.357 30.300 -0.068 0.000 1.201 2205 R HN 0.330 nan 8.270 nan 0.000 0.457 2206 V N 3.868 123.804 119.914 0.036 0.000 2.487 2206 V HA 0.564 4.684 4.120 0.000 0.000 0.298 2206 V C -0.067 176.008 176.094 -0.031 0.000 1.028 2206 V CA -0.607 61.669 62.300 -0.040 0.000 0.860 2206 V CB 1.788 33.459 31.823 -0.252 0.000 0.991 2206 V HN 0.618 nan 8.190 nan 0.000 0.427 2207 M N 4.120 123.723 119.600 0.005 0.000 2.530 2207 M HA 0.758 5.238 4.480 0.000 0.000 0.307 2207 M C -0.377 176.049 176.300 0.210 0.000 1.161 2207 M CA -0.407 54.945 55.300 0.087 0.000 0.903 2207 M CB 2.793 35.462 32.600 0.114 0.000 1.711 2207 M HN 0.774 nan 8.290 nan 0.000 0.451 2208 T N -1.215 113.468 114.554 0.215 0.000 2.864 2208 T HA 0.847 5.197 4.350 0.000 0.000 0.299 2208 T C -0.896 173.789 174.700 -0.025 0.000 1.166 2208 T CA -0.909 61.299 62.100 0.181 0.000 1.007 2208 T CB 1.828 70.700 68.868 0.007 0.000 1.219 2208 T HN 1.103 nan 8.240 nan 0.000 0.506 2209 C N 0.264 119.422 119.300 -0.237 0.000 3.090 2209 C HA 0.852 5.312 4.460 0.000 0.000 0.347 2209 C C -3.083 171.715 174.990 -0.322 0.000 1.147 2209 C CA -1.731 57.060 59.018 -0.378 0.000 1.305 2209 C CB 1.589 28.892 27.740 -0.730 0.000 1.692 2209 C HN 0.886 nan 8.230 nan 0.000 0.506 2210 P HA 0.236 nan 4.420 nan 0.000 0.275 2210 P C -0.047 177.166 177.300 -0.144 0.000 1.228 2210 P CA 0.645 63.565 63.100 -0.300 0.000 0.786 2210 P CB 1.316 32.749 31.700 -0.444 0.000 0.927 2211 S N 2.896 118.574 115.700 -0.037 0.000 2.592 2211 S HA 0.217 4.688 4.470 0.000 0.000 0.271 2211 S C -1.190 173.438 174.600 0.048 0.000 1.326 2211 S CA -1.744 56.464 58.200 0.012 0.000 1.024 2211 S CB -0.123 63.114 63.200 0.062 0.000 0.921 2211 S HN 0.345 nan 8.310 nan 0.000 0.527 2212 P HA -0.072 nan 4.420 nan 0.000 0.234 2212 P C 0.176 177.508 177.300 0.053 0.000 1.162 2212 P CA 0.793 63.911 63.100 0.029 0.000 0.759 2212 P CB 0.039 31.740 31.700 0.001 0.000 0.813 2213 D N -0.664 119.781 120.400 0.076 0.000 2.194 2213 D HA -0.051 4.589 4.640 0.000 0.000 0.204 2213 D C 0.745 177.091 176.300 0.076 0.000 0.964 2213 D CA 0.173 54.212 54.000 0.065 0.000 0.846 2213 D CB -0.522 40.322 40.800 0.073 0.000 0.962 2213 D HN 0.208 nan 8.370 nan 0.000 0.490 2214 F N 1.998 121.937 119.950 -0.018 0.000 2.572 2214 F HA 0.069 4.596 4.527 0.000 0.000 0.370 2214 F C 0.442 176.189 175.800 -0.087 0.000 1.103 2214 F CA 0.397 58.372 58.000 -0.041 0.000 1.286 2214 F CB 0.355 39.300 39.000 -0.090 0.000 1.105 2214 F HN -0.273 nan 8.300 nan 0.000 0.583 2215 N N 4.921 123.321 118.700 -0.500 0.000 2.405 2215 N HA 0.300 5.040 4.740 0.000 0.000 0.274 2215 N C -1.421 173.797 175.510 -0.485 0.000 1.170 2215 N CA -0.541 52.330 53.050 -0.299 0.000 0.848 2215 N CB 1.416 39.801 38.487 -0.171 0.000 1.629 2215 N HN 0.388 nan 8.380 nan 0.000 0.481 2216 F N 0.894 120.707 119.950 -0.228 0.000 2.378 2216 F HA 0.419 4.946 4.527 0.000 0.000 0.325 2216 F C 1.621 177.214 175.800 -0.346 0.000 1.097 2216 F CA -0.458 57.361 58.000 -0.303 0.000 1.079 2216 F CB 1.259 39.798 39.000 -0.769 0.000 1.240 2216 F HN 0.286 nan 8.300 nan 0.000 0.519 2217 L N 0.137 121.373 121.223 0.022 0.000 2.738 2217 L HA 0.248 4.588 4.340 0.000 0.000 0.178 2217 L C -0.411 176.493 176.870 0.056 0.000 1.281 2217 L CA -0.025 54.781 54.840 -0.057 0.000 0.864 2217 L CB 0.011 41.958 42.059 -0.187 0.000 1.224 2217 L HN 0.355 nan 8.230 nan 0.000 0.520 2218 F N 0.791 120.779 119.950 0.063 0.000 2.421 2218 F HA 0.414 4.941 4.527 0.000 0.000 0.337 2218 F C -0.047 175.905 175.800 0.254 0.000 1.105 2218 F CA -0.601 57.467 58.000 0.113 0.000 1.049 2218 F CB 1.240 40.278 39.000 0.064 0.000 1.139 2218 F HN -0.127 nan 8.300 nan 0.000 0.479 2219 L N 5.596 126.941 121.223 0.203 0.000 2.410 2219 L HA 0.398 4.738 4.340 0.000 0.000 0.273 2219 L C -0.683 176.351 176.870 0.274 0.000 1.152 2219 L CA -0.150 54.812 54.840 0.203 0.000 0.855 2219 L CB 0.868 42.943 42.059 0.026 0.000 1.129 2219 L HN 0.366 nan 8.230 nan 0.000 0.463 2220 V N 4.455 124.447 119.914 0.129 0.000 3.087 2220 V HA 0.362 4.482 4.120 0.000 0.000 0.306 2220 V C -2.237 173.860 176.094 0.005 0.000 1.187 2220 V CA -1.457 60.910 62.300 0.112 0.000 0.999 2220 V CB 2.792 34.697 31.823 0.137 0.000 1.049 2220 V HN 0.616 nan 8.190 nan 0.000 0.431 2221 P HA 0.059 nan 4.420 nan 0.000 0.253 2221 P C -2.387 174.886 177.300 -0.045 0.000 1.170 2221 P CA -0.701 62.387 63.100 -0.020 0.000 0.806 2221 P CB -0.393 31.305 31.700 -0.003 0.000 0.775 2222 P HA -0.085 nan 4.420 nan 0.000 0.229 2222 P C 0.144 177.392 177.300 -0.088 0.000 1.485 2222 P CA 0.723 63.751 63.100 -0.119 0.000 1.217 2222 P CB -0.253 31.357 31.700 -0.150 0.000 1.852 2223 T N -1.508 113.009 114.554 -0.062 0.000 5.072 2223 T HA -0.117 4.233 4.350 0.000 0.000 0.269 2223 T C 1.228 175.917 174.700 -0.018 0.000 2.131 2223 T CA 0.265 62.342 62.100 -0.039 0.000 3.484 2223 T CB -0.954 67.894 68.868 -0.034 0.000 0.454 2223 T HN -0.037 nan 8.240 nan 0.000 0.803 2224 V N 1.733 121.639 119.914 -0.014 0.000 2.236 2224 V HA -0.198 3.922 4.120 0.000 0.000 0.255 2224 V C 1.093 177.191 176.094 0.007 0.000 1.068 2224 V CA 1.994 64.292 62.300 -0.003 0.000 1.044 2224 V CB -0.527 31.297 31.823 0.001 0.000 0.653 2224 V HN 0.558 nan 8.190 nan 0.000 0.448 2225 E N -0.103 120.108 120.200 0.018 0.000 2.384 2225 E HA 0.009 4.359 4.350 0.000 0.000 0.266 2225 E C 1.035 177.654 176.600 0.032 0.000 1.012 2225 E CA -0.065 56.355 56.400 0.033 0.000 0.901 2225 E CB 0.528 30.263 29.700 0.058 0.000 0.967 2225 E HN 0.465 nan 8.360 nan 0.000 0.435 2226 Q N 2.212 122.030 119.800 0.030 0.000 2.137 2226 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 2226 Q C 1.425 177.447 176.000 0.037 0.000 0.960 2226 Q CA 0.612 56.431 55.803 0.027 0.000 0.847 2226 Q CB 0.143 28.893 28.738 0.019 0.000 0.915 2226 Q HN 0.294 nan 8.270 nan 0.000 0.448 2227 K N 0.348 120.776 120.400 0.046 0.000 2.218 2227 K HA -0.136 4.184 4.320 0.000 0.000 0.205 2227 K C 2.067 178.707 176.600 0.066 0.000 1.046 2227 K CA 1.795 58.111 56.287 0.049 0.000 0.933 2227 K CB -0.536 32.008 32.500 0.073 0.000 0.728 2227 K HN 0.420 nan 8.250 nan 0.000 0.454 2228 T N -1.965 112.638 114.554 0.082 0.000 3.081 2228 T HA 0.080 4.430 4.350 0.000 0.000 0.255 2228 T C 0.851 175.605 174.700 0.090 0.000 1.113 2228 T CA -0.190 61.968 62.100 0.098 0.000 1.082 2228 T CB 0.067 68.989 68.868 0.090 0.000 0.939 2228 T HN 0.042 nan 8.240 nan 0.000 0.506 2229 R N 2.822 123.365 120.500 0.072 0.000 2.484 2229 R HA 0.274 4.614 4.340 0.000 0.000 0.293 2229 R C -2.669 173.705 176.300 0.123 0.000 1.023 2229 R CA -1.331 54.814 56.100 0.075 0.000 1.037 2229 R CB -0.091 30.237 30.300 0.046 0.000 0.951 2229 R HN 0.297 nan 8.270 nan 0.000 0.418 2230 P HA 0.021 nan 4.420 nan 0.000 0.278 2230 P C -0.848 176.551 177.300 0.164 0.000 1.238 2230 P CA -0.483 62.735 63.100 0.198 0.000 0.794 2230 P CB 0.455 32.261 31.700 0.176 0.000 0.955 2231 F N 3.014 122.994 119.950 0.050 0.000 2.467 2231 F HA 0.401 4.928 4.527 0.000 0.000 0.362 2231 F C 0.065 175.756 175.800 -0.182 0.000 1.090 2231 F CA 0.581 58.520 58.000 -0.102 0.000 1.202 2231 F CB 0.209 39.037 39.000 -0.287 0.000 1.113 2231 F HN 0.299 nan 8.300 nan 0.000 0.541 2232 T N 5.408 119.432 114.554 -0.884 0.000 2.903 2232 T HA 0.667 5.017 4.350 0.000 0.000 0.299 2232 T C -1.044 173.148 174.700 -0.845 0.000 1.093 2232 T CA -1.017 60.707 62.100 -0.627 0.000 1.002 2232 T CB 1.581 70.341 68.868 -0.181 0.000 1.127 2232 T HN 0.647 nan 8.240 nan 0.000 0.488 2233 L N 2.335 123.137 121.223 -0.701 0.000 2.342 2233 L HA 0.594 4.934 4.340 0.000 0.000 0.271 2233 L C -2.082 174.327 176.870 -0.767 0.000 1.008 2233 L CA -2.624 51.723 54.840 -0.822 0.000 0.818 2233 L CB 2.452 44.174 42.059 -0.562 0.000 1.296 2233 L HN 0.572 nan 8.230 nan 0.000 0.427 2234 P HA 0.011 nan 4.420 nan 0.000 0.271 2234 P C -0.923 176.233 177.300 -0.240 0.000 1.220 2234 P CA -0.291 62.481 63.100 -0.548 0.000 0.768 2234 P CB 0.604 32.056 31.700 -0.413 0.000 0.848 2235 N N 4.091 122.706 118.700 -0.141 0.000 2.895 2235 N HA 0.178 4.918 4.740 0.000 0.000 0.277 2235 N C -1.049 174.447 175.510 -0.024 0.000 1.185 2235 N CA 0.061 53.072 53.050 -0.064 0.000 1.106 2235 N CB -0.951 37.503 38.487 -0.056 0.000 1.422 2235 N HN 0.355 nan 8.380 nan 0.000 0.521 2236 L N 2.866 124.098 121.223 0.016 0.000 2.464 2236 L HA 0.545 4.885 4.340 0.000 0.000 0.266 2236 L C -2.219 174.675 176.870 0.041 0.000 0.965 2236 L CA -2.012 52.846 54.840 0.030 0.000 0.833 2236 L CB 2.760 44.848 42.059 0.048 0.000 1.296 2236 L HN 0.235 nan 8.230 nan 0.000 0.405 2237 P HA 0.010 nan 4.420 nan 0.000 0.268 2237 P C 0.716 178.018 177.300 0.003 0.000 1.204 2237 P CA -0.375 62.721 63.100 -0.007 0.000 0.768 2237 P CB 1.476 33.163 31.700 -0.021 0.000 0.842 2238 L N 3.985 125.217 121.223 0.015 0.000 2.021 2238 L HA -0.294 4.046 4.340 0.000 0.000 0.215 2238 L C 2.680 179.529 176.870 -0.036 0.000 1.074 2238 L CA 2.846 57.672 54.840 -0.024 0.000 0.760 2238 L CB -1.401 40.680 42.059 0.038 0.000 0.889 2238 L HN 0.503 nan 8.230 nan 0.000 0.433 2239 S N -2.879 112.823 115.700 0.002 0.000 2.402 2239 S HA -0.255 4.215 4.470 0.000 0.000 0.233 2239 S C 2.115 176.708 174.600 -0.012 0.000 1.030 2239 S CA 1.557 59.758 58.200 0.002 0.000 1.003 2239 S CB -0.930 62.277 63.200 0.013 0.000 0.813 2239 S HN 0.436 nan 8.310 nan 0.000 0.477 2240 S N 0.769 116.460 115.700 -0.016 0.000 2.481 2240 S HA 0.272 4.742 4.470 0.000 0.000 0.231 2240 S C 0.731 175.317 174.600 -0.024 0.000 0.996 2240 S CA -0.000 58.191 58.200 -0.014 0.000 0.942 2240 S CB -0.607 62.589 63.200 -0.006 0.000 0.768 2240 S HN 0.450 nan 8.310 nan 0.000 0.520 2241 L N 0.835 122.027 121.223 -0.052 0.000 2.488 2241 L HA 0.501 4.841 4.340 0.000 0.000 0.249 2241 L C 0.621 177.448 176.870 -0.073 0.000 1.151 2241 L CA -0.745 54.048 54.840 -0.078 0.000 0.806 2241 L CB 0.702 42.657 42.059 -0.172 0.000 1.261 2241 L HN 0.136 nan 8.230 nan 0.000 0.484 2242 S N -1.399 114.256 115.700 -0.075 0.000 2.745 2242 S HA 0.402 4.872 4.470 0.000 0.000 0.306 2242 S C -0.626 173.942 174.600 -0.054 0.000 1.137 2242 S CA -0.929 57.241 58.200 -0.050 0.000 0.900 2242 S CB 1.855 65.040 63.200 -0.025 0.000 1.176 2242 S HN 0.607 nan 8.310 nan 0.000 0.520 2243 N N -0.244 118.441 118.700 -0.025 0.000 2.408 2243 N HA 0.347 5.087 4.740 0.000 0.000 0.260 2243 N C 0.270 175.780 175.510 0.000 0.000 1.242 2243 N CA -0.205 52.844 53.050 -0.003 0.000 0.959 2243 N CB 1.515 39.995 38.487 -0.012 0.000 1.201 2243 N HN 0.628 nan 8.380 nan 0.000 0.511 2244 S N 0.906 116.620 115.700 0.024 0.000 2.505 2244 S HA 0.208 4.678 4.470 0.000 0.000 0.216 2244 S C 1.278 175.877 174.600 -0.001 0.000 1.018 2244 S CA -0.052 58.168 58.200 0.034 0.000 0.911 2244 S CB 0.506 63.761 63.200 0.091 0.000 0.818 2244 S HN 0.542 nan 8.310 nan 0.000 0.497 2245 R N 1.091 121.556 120.500 -0.058 0.000 2.290 2245 R HA 0.493 4.833 4.340 0.000 0.000 0.197 2245 R C 0.205 176.408 176.300 -0.161 0.000 0.913 2245 R CA 0.304 56.323 56.100 -0.136 0.000 1.040 2245 R CB 0.477 30.624 30.300 -0.255 0.000 0.992 2245 R HN 0.244 nan 8.270 nan 0.000 0.500 2246 A N 1.280 124.029 122.820 -0.118 0.000 2.594 2246 A HA 0.352 4.672 4.320 0.000 0.000 0.296 2246 A C -2.669 174.873 177.584 -0.071 0.000 1.061 2246 A CA -1.334 50.631 52.037 -0.120 0.000 0.689 2246 A CB 1.341 20.253 19.000 -0.147 0.000 1.280 2246 A HN -0.138 nan 8.150 nan 0.000 0.406 2247 P HA 0.267 nan 4.420 nan 0.000 0.232 2247 P C -0.912 176.368 177.300 -0.034 0.000 1.738 2247 P CA 0.471 63.551 63.100 -0.034 0.000 0.948 2247 P CB -0.676 31.008 31.700 -0.026 0.000 1.943 2248 L N 2.320 123.521 121.223 -0.037 0.000 2.346 2248 L HA 0.546 4.886 4.340 0.000 0.000 0.274 2248 L C -2.157 174.699 176.870 -0.022 0.000 1.007 2248 L CA -2.992 51.828 54.840 -0.032 0.000 0.818 2248 L CB 2.393 44.428 42.059 -0.041 0.000 1.284 2248 L HN -0.101 nan 8.230 nan 0.000 0.424 2249 P HA 0.112 nan 4.420 nan 0.000 0.271 2249 P C -0.585 176.712 177.300 -0.005 0.000 1.218 2249 P CA -0.348 62.743 63.100 -0.014 0.000 0.780 2249 P CB 0.888 32.582 31.700 -0.011 0.000 0.901 2250 I N 2.003 122.569 120.570 -0.006 0.000 2.692 2250 I HA -0.031 4.139 4.170 0.000 0.000 0.284 2250 I C 1.561 177.698 176.117 0.033 0.000 1.159 2250 I CA 0.705 62.017 61.300 0.021 0.000 1.423 2250 I CB -0.166 37.837 38.000 0.005 0.000 1.380 2250 I HN 0.417 nan 8.210 nan 0.000 0.580 2251 S N 2.853 118.585 115.700 0.054 0.000 2.599 2251 S HA 0.159 4.629 4.470 0.000 0.000 0.236 2251 S C 0.390 175.033 174.600 0.072 0.000 1.077 2251 S CA 0.168 58.399 58.200 0.052 0.000 0.906 2251 S CB 0.525 63.751 63.200 0.043 0.000 0.804 2251 S HN 0.855 nan 8.310 nan 0.000 0.497 2252 S N 0.084 115.843 115.700 0.098 0.000 2.627 2252 S HA 0.566 5.036 4.470 0.000 0.000 0.268 2252 S C -1.317 173.372 174.600 0.148 0.000 1.130 2252 S CA -1.009 57.258 58.200 0.113 0.000 0.819 2252 S CB 0.649 63.906 63.200 0.094 0.000 1.100 2252 S HN 0.132 nan 8.310 nan 0.000 0.465 2253 M N 0.992 120.673 119.600 0.135 0.000 2.359 2253 M HA 0.710 5.190 4.480 0.000 0.000 0.322 2253 M C 0.623 177.005 176.300 0.137 0.000 1.166 2253 M CA -0.037 55.334 55.300 0.118 0.000 1.067 2253 M CB 1.535 34.166 32.600 0.052 0.000 1.523 2253 M HN 1.072 nan 8.290 nan 0.000 0.467 2254 G N 1.168 110.075 108.800 0.178 0.000 2.682 2254 G HA2 0.789 4.749 3.960 0.000 0.000 0.290 2254 G HA3 0.789 4.749 3.960 0.000 0.000 0.290 2254 G C -1.668 173.438 174.900 0.343 0.000 1.425 2254 G CA -0.714 44.532 45.100 0.244 0.000 0.807 2254 G HN 0.655 nan 8.290 nan 0.000 0.482 2255 I N 0.598 121.348 120.570 0.300 0.000 2.740 2255 I HA 0.372 4.542 4.170 0.000 0.000 0.303 2255 I C 0.518 176.702 176.117 0.111 0.000 1.044 2255 I CA -0.948 60.515 61.300 0.272 0.000 1.064 2255 I CB 2.444 40.524 38.000 0.133 0.000 1.249 2255 I HN 0.565 nan 8.210 nan 0.000 0.433 2256 S N 3.681 119.344 115.700 -0.061 0.000 2.564 2256 S HA 0.360 4.830 4.470 0.000 0.000 0.278 2256 S C -2.504 171.843 174.600 -0.420 0.000 1.333 2256 S CA -1.117 56.652 58.200 -0.718 0.000 1.048 2256 S CB 0.141 62.956 63.200 -0.642 0.000 0.900 2256 S HN 0.297 nan 8.310 nan 0.000 0.505 2257 P HA 0.163 nan 4.420 nan 0.000 0.269 2257 P C 0.219 177.400 177.300 -0.199 0.000 1.215 2257 P CA -0.232 62.727 63.100 -0.234 0.000 0.780 2257 P CB 0.323 31.902 31.700 -0.201 0.000 0.898 2258 D N 0.710 121.045 120.400 -0.109 0.000 2.218 2258 D HA -0.260 4.380 4.640 0.000 0.000 0.194 2258 D C 1.512 177.757 176.300 -0.092 0.000 1.007 2258 D CA 1.423 55.375 54.000 -0.079 0.000 0.879 2258 D CB -0.651 40.121 40.800 -0.046 0.000 0.918 2258 D HN 0.551 nan 8.370 nan 0.000 0.449 2259 N N 0.551 119.186 118.700 -0.109 0.000 2.106 2259 N HA -0.126 4.614 4.740 0.000 0.000 0.188 2259 N C 0.194 175.624 175.510 -0.133 0.000 1.029 2259 N CA 0.533 53.523 53.050 -0.101 0.000 0.848 2259 N CB 0.234 38.670 38.487 -0.084 0.000 1.007 2259 N HN -0.016 nan 8.380 nan 0.000 0.423 2260 V N 1.868 121.646 119.914 -0.226 0.000 2.637 2260 V HA 0.043 4.163 4.120 0.000 0.000 0.296 2260 V C 0.863 176.836 176.094 -0.202 0.000 1.046 2260 V CA 0.202 62.341 62.300 -0.268 0.000 1.066 2260 V CB 1.512 32.997 31.823 -0.564 0.000 0.968 2260 V HN 0.376 nan 8.190 nan 0.000 0.483 2261 Q N 2.124 121.846 119.800 -0.130 0.000 2.546 2261 Q HA 0.174 4.514 4.340 0.000 0.000 0.203 2261 Q C 0.601 176.572 176.000 -0.049 0.000 0.740 2261 Q CA 0.187 55.944 55.803 -0.077 0.000 0.879 2261 Q CB 0.535 29.237 28.738 -0.060 0.000 1.265 2261 Q HN 0.805 nan 8.270 nan 0.000 0.585 2262 S N 0.556 116.224 115.700 -0.053 0.000 2.616 2262 S HA 0.658 5.128 4.470 0.000 0.000 0.277 2262 S C -0.159 174.405 174.600 -0.059 0.000 1.234 2262 S CA -0.618 57.555 58.200 -0.045 0.000 1.028 2262 S CB 1.944 65.112 63.200 -0.055 0.000 0.988 2262 S HN 0.062 nan 8.310 nan 0.000 0.522 2263 V N 1.325 121.176 119.914 -0.105 0.000 3.007 2263 V HA 0.488 4.608 4.120 0.000 0.000 0.311 2263 V C -0.423 175.576 176.094 -0.159 0.000 1.120 2263 V CA -0.653 61.539 62.300 -0.180 0.000 0.980 2263 V CB 2.165 33.758 31.823 -0.384 0.000 1.033 2263 V HN 1.013 nan 8.190 nan 0.000 0.429 2264 Q N 2.245 122.004 119.800 -0.068 0.000 2.139 2264 Q HA 0.372 4.713 4.340 0.000 0.000 0.301 2264 Q C -0.581 175.571 176.000 0.253 0.000 0.874 2264 Q CA -0.153 55.690 55.803 0.067 0.000 1.116 2264 Q CB 0.929 29.734 28.738 0.112 0.000 1.278 2264 Q HN 0.695 nan 8.270 nan 0.000 0.426 2265 F N 1.032 121.069 119.950 0.146 0.000 2.628 2265 F HA -0.092 4.435 4.527 0.000 0.000 0.362 2265 F C 1.691 177.574 175.800 0.138 0.000 1.148 2265 F CA 0.037 58.127 58.000 0.151 0.000 1.352 2265 F CB 0.750 39.844 39.000 0.156 0.000 1.081 2265 F HN 0.158 nan 8.300 nan 0.000 0.605 2266 Q N 1.012 121.016 119.800 0.341 0.000 2.392 2266 Q HA 0.128 4.468 4.340 0.000 0.000 0.219 2266 Q C -0.242 175.867 176.000 0.182 0.000 0.895 2266 Q CA 0.489 56.423 55.803 0.218 0.000 0.929 2266 Q CB 0.208 29.049 28.738 0.170 0.000 1.077 2266 Q HN 0.540 nan 8.270 nan 0.000 0.532 2267 N N 0.127 118.934 118.700 0.178 0.000 2.399 2267 N HA 0.383 5.123 4.740 0.000 0.000 0.295 2267 N C 0.072 175.675 175.510 0.154 0.000 1.048 2267 N CA 0.439 53.567 53.050 0.130 0.000 0.886 2267 N CB 1.786 40.315 38.487 0.070 0.000 1.185 2267 N HN 0.211 nan 8.380 nan 0.000 0.487 2268 G N 1.507 110.396 108.800 0.147 0.000 2.303 2268 G HA2 -0.232 3.728 3.960 0.000 0.000 0.260 2268 G HA3 -0.232 3.728 3.960 0.000 0.000 0.260 2268 G C -0.234 174.799 174.900 0.222 0.000 1.106 2268 G CA -0.395 44.811 45.100 0.176 0.000 0.900 2268 G HN 0.564 nan 8.290 nan 0.000 0.495 2269 R N -0.723 119.891 120.500 0.189 0.000 2.514 2269 R HA 0.630 4.970 4.340 0.000 0.000 0.296 2269 R C -0.920 175.476 176.300 0.161 0.000 1.012 2269 R CA -0.312 55.901 56.100 0.189 0.000 0.897 2269 R CB 1.812 32.218 30.300 0.177 0.000 1.184 2269 R HN 0.469 nan 8.270 nan 0.000 0.440 2270 C N 2.106 121.507 119.300 0.169 0.000 2.782 2270 C HA 0.511 4.971 4.460 0.000 0.000 0.328 2270 C C -0.022 175.058 174.990 0.149 0.000 1.145 2270 C CA -0.235 58.871 59.018 0.147 0.000 1.358 2270 C CB 1.997 29.824 27.740 0.145 0.000 1.841 2270 C HN 0.897 nan 8.230 nan 0.000 0.477 2271 T N 5.385 120.014 114.554 0.125 0.000 2.899 2271 T HA 0.251 4.601 4.350 0.000 0.000 0.295 2271 T C 1.480 176.250 174.700 0.116 0.000 1.033 2271 T CA -0.456 61.710 62.100 0.110 0.000 1.084 2271 T CB 0.767 69.687 68.868 0.086 0.000 0.979 2271 T HN 0.640 nan 8.240 nan 0.000 0.532 2272 L N 1.002 122.285 121.223 0.099 0.000 2.353 2272 L HA -0.079 4.261 4.340 0.000 0.000 0.220 2272 L C 1.753 178.732 176.870 0.182 0.000 1.133 2272 L CA 0.947 55.877 54.840 0.149 0.000 0.798 2272 L CB -0.488 41.578 42.059 0.012 0.000 0.922 2272 L HN 0.684 nan 8.230 nan 0.000 0.445 2273 D N -0.154 120.309 120.400 0.106 0.000 2.347 2273 D HA 0.009 4.649 4.640 0.000 0.000 0.213 2273 D C 1.567 177.914 176.300 0.079 0.000 0.985 2273 D CA 1.031 55.083 54.000 0.086 0.000 0.879 2273 D CB 0.395 41.219 40.800 0.041 0.000 0.919 2273 D HN 0.358 nan 8.370 nan 0.000 0.526 2274 G N 1.286 110.139 108.800 0.089 0.000 2.148 2274 G HA2 -0.251 3.709 3.960 0.000 0.000 0.203 2274 G HA3 -0.251 3.709 3.960 0.000 0.000 0.203 2274 G C 0.018 174.954 174.900 0.060 0.000 0.993 2274 G CA -0.635 44.507 45.100 0.069 0.000 0.661 2274 G HN 0.261 nan 8.290 nan 0.000 0.518 2275 R N 0.212 120.752 120.500 0.067 0.000 2.234 2275 R HA 0.521 4.861 4.340 0.000 0.000 0.324 2275 R C 0.636 176.983 176.300 0.078 0.000 1.054 2275 R CA -0.395 55.743 56.100 0.064 0.000 0.912 2275 R CB 0.776 31.114 30.300 0.062 0.000 1.030 2275 R HN 0.273 nan 8.270 nan 0.000 0.455 2276 L N 3.796 125.062 121.223 0.071 0.000 2.380 2276 L HA 0.302 4.642 4.340 0.000 0.000 0.273 2276 L C -0.093 176.835 176.870 0.096 0.000 1.138 2276 L CA -0.417 54.471 54.840 0.081 0.000 0.832 2276 L CB 1.033 43.130 42.059 0.063 0.000 1.124 2276 L HN 0.312 nan 8.230 nan 0.000 0.454 2277 V N 1.444 121.424 119.914 0.111 0.000 3.001 2277 V HA 0.844 4.964 4.120 0.000 0.000 0.314 2277 V C 0.610 176.778 176.094 0.123 0.000 1.099 2277 V CA 0.047 62.423 62.300 0.127 0.000 0.989 2277 V CB 1.234 33.131 31.823 0.123 0.000 1.040 2277 V HN 1.042 nan 8.190 nan 0.000 0.434 2278 G N 2.852 111.730 108.800 0.129 0.000 2.531 2278 G HA2 -0.269 3.691 3.960 0.000 0.000 0.274 2278 G HA3 -0.269 3.691 3.960 0.000 0.000 0.274 2278 G C 0.682 175.639 174.900 0.094 0.000 1.159 2278 G CA 0.771 45.931 45.100 0.100 0.000 0.969 2278 G HN 1.697 nan 8.290 nan 0.000 0.554 2279 T N -1.816 112.787 114.554 0.082 0.000 3.105 2279 T HA 0.447 4.797 4.350 0.000 0.000 0.253 2279 T C 0.899 175.658 174.700 0.098 0.000 1.047 2279 T CA 1.143 63.295 62.100 0.088 0.000 0.944 2279 T CB 0.032 68.955 68.868 0.092 0.000 1.016 2279 T HN 0.871 nan 8.240 nan 0.000 0.544 2280 T N 5.875 120.488 114.554 0.098 0.000 2.831 2280 T HA 0.221 4.571 4.350 0.000 0.000 0.291 2280 T C -2.055 172.684 174.700 0.065 0.000 0.981 2280 T CA -0.527 61.628 62.100 0.091 0.000 1.174 2280 T CB 0.579 69.510 68.868 0.104 0.000 0.929 2280 T HN 0.377 nan 8.240 nan 0.000 0.532 2281 P HA 0.382 nan 4.420 nan 0.000 0.289 2281 P C 0.613 177.900 177.300 -0.022 0.000 1.300 2281 P CA -0.641 62.450 63.100 -0.014 0.000 0.828 2281 P CB 1.276 32.978 31.700 0.003 0.000 1.235 2282 V N -1.055 118.806 119.914 -0.088 0.000 2.331 2282 V HA -0.014 4.106 4.120 0.000 0.000 0.242 2282 V C 1.601 177.692 176.094 -0.005 0.000 1.034 2282 V CA 1.519 63.796 62.300 -0.038 0.000 1.027 2282 V CB -0.632 31.158 31.823 -0.055 0.000 0.667 2282 V HN 0.609 nan 8.190 nan 0.000 0.457 2283 S N -1.000 114.692 115.700 -0.014 0.000 2.654 2283 S HA 0.407 4.877 4.470 0.000 0.000 0.283 2283 S C 0.784 175.454 174.600 0.116 0.000 1.180 2283 S CA -0.604 57.637 58.200 0.068 0.000 1.021 2283 S CB 1.282 64.547 63.200 0.109 0.000 1.018 2283 S HN 0.290 nan 8.310 nan 0.000 0.532 2284 L N 2.741 124.020 121.223 0.093 0.000 2.265 2284 L HA -0.067 4.273 4.340 0.000 0.000 0.215 2284 L C 2.401 179.328 176.870 0.095 0.000 1.117 2284 L CA 1.384 56.269 54.840 0.075 0.000 0.782 2284 L CB -0.522 41.562 42.059 0.043 0.000 0.914 2284 L HN 0.891 nan 8.230 nan 0.000 0.441 2285 S N -2.192 113.590 115.700 0.136 0.000 2.584 2285 S HA -0.188 4.282 4.470 0.000 0.000 0.240 2285 S C 1.142 175.761 174.600 0.031 0.000 0.975 2285 S CA 0.917 59.174 58.200 0.095 0.000 0.949 2285 S CB -0.427 62.840 63.200 0.112 0.000 0.761 2285 S HN 0.549 nan 8.310 nan 0.000 0.536 2286 H N -0.719 118.367 119.070 0.027 0.000 3.058 2286 H HA 0.458 5.014 4.556 0.000 0.000 0.266 2286 H C -0.279 175.057 175.328 0.013 0.000 1.135 2286 H CA -0.341 55.726 56.048 0.030 0.000 1.174 2286 H CB 0.662 30.450 29.762 0.043 0.000 1.581 2286 H HN 0.213 nan 8.280 nan 0.000 0.553 2287 V N 1.505 121.480 119.914 0.102 0.000 2.508 2287 V HA 0.348 4.468 4.120 0.000 0.000 0.281 2287 V C 0.812 176.883 176.094 -0.039 0.000 1.041 2287 V CA 0.181 62.499 62.300 0.031 0.000 1.016 2287 V CB 0.359 32.192 31.823 0.017 0.000 0.984 2287 V HN 0.613 nan 8.190 nan 0.000 0.478 2288 A N 4.263 127.030 122.820 -0.088 0.000 2.800 2288 A HA -0.195 4.125 4.320 0.000 0.000 0.292 2288 A C 0.275 177.753 177.584 -0.176 0.000 1.474 2288 A CA 1.310 53.230 52.037 -0.196 0.000 0.744 2288 A CB -1.762 17.104 19.000 -0.223 0.000 1.044 2288 A HN 0.785 nan 8.150 nan 0.000 0.489 2289 K N -0.862 119.465 120.400 -0.121 0.000 2.444 2289 K HA 0.891 5.211 4.320 0.000 0.000 0.252 2289 K C -0.185 176.379 176.600 -0.060 0.000 0.993 2289 K CA -0.303 55.934 56.287 -0.083 0.000 0.847 2289 K CB 2.317 34.790 32.500 -0.046 0.000 1.340 2289 K HN 0.927 nan 8.250 nan 0.000 0.446 2290 I N -2.235 118.325 120.570 -0.016 0.000 2.913 2290 I HA 0.612 4.782 4.170 0.000 0.000 0.302 2290 I C -1.416 174.743 176.117 0.068 0.000 1.246 2290 I CA -0.995 60.338 61.300 0.054 0.000 1.010 2290 I CB 2.533 40.582 38.000 0.080 0.000 1.259 2290 I HN 0.530 nan 8.210 nan 0.000 0.434 2291 R N 2.798 123.349 120.500 0.084 0.000 2.673 2291 R HA 0.874 5.214 4.340 0.000 0.000 0.281 2291 R C -0.979 175.367 176.300 0.078 0.000 0.991 2291 R CA -0.412 55.732 56.100 0.074 0.000 0.896 2291 R CB 2.471 32.811 30.300 0.066 0.000 1.201 2291 R HN 1.186 nan 8.270 nan 0.000 0.457 2292 G N 0.474 109.320 108.800 0.075 0.000 2.356 2292 G HA2 0.219 4.179 3.960 0.000 0.000 0.294 2292 G HA3 0.219 4.179 3.960 0.000 0.000 0.294 2292 G C -1.447 173.490 174.900 0.062 0.000 1.423 2292 G CA -0.641 44.496 45.100 0.062 0.000 0.806 2292 G HN 0.511 nan 8.290 nan 0.000 0.527 2293 T N -1.409 113.170 114.554 0.041 0.000 2.743 2293 T HA 0.610 4.960 4.350 0.000 0.000 0.292 2293 T C 0.390 175.112 174.700 0.038 0.000 0.972 2293 T CA -0.266 61.852 62.100 0.029 0.000 0.967 2293 T CB 1.437 70.310 68.868 0.009 0.000 0.926 2293 T HN 0.919 nan 8.240 nan 0.000 0.459 2294 S N 2.281 118.026 115.700 0.075 0.000 2.528 2294 S HA 0.172 4.642 4.470 0.000 0.000 0.277 2294 S C 0.894 175.506 174.600 0.020 0.000 1.297 2294 S CA -0.618 57.609 58.200 0.045 0.000 1.052 2294 S CB 0.019 63.279 63.200 0.099 0.000 0.917 2294 S HN 0.804 nan 8.310 nan 0.000 0.492 2295 N N 3.070 121.768 118.700 -0.002 0.000 2.238 2295 N HA 0.219 4.959 4.740 0.000 0.000 0.222 2295 N C 1.175 176.679 175.510 -0.010 0.000 1.133 2295 N CA 0.802 53.851 53.050 -0.002 0.000 0.854 2295 N CB -0.135 38.352 38.487 -0.001 0.000 1.041 2295 N HN 0.920 nan 8.380 nan 0.000 0.510 2296 G N -0.714 108.074 108.800 -0.020 0.000 2.302 2296 G HA2 -0.396 3.564 3.960 0.000 0.000 0.263 2296 G HA3 -0.396 3.564 3.960 0.000 0.000 0.263 2296 G C 1.003 175.881 174.900 -0.037 0.000 0.995 2296 G CA 1.483 46.566 45.100 -0.029 0.000 0.622 2296 G HN 0.581 nan 8.290 nan 0.000 0.538 2297 T N -4.000 110.536 114.554 -0.030 0.000 3.115 2297 T HA 0.573 4.923 4.350 0.000 0.000 0.256 2297 T C 0.430 175.119 174.700 -0.018 0.000 0.970 2297 T CA 0.780 62.867 62.100 -0.022 0.000 1.010 2297 T CB 0.957 69.820 68.868 -0.009 0.000 1.151 2297 T HN 0.898 nan 8.240 nan 0.000 0.479 2298 V N 2.036 121.941 119.914 -0.015 0.000 2.789 2298 V HA 0.557 4.677 4.120 0.000 0.000 0.311 2298 V C -1.002 175.084 176.094 -0.015 0.000 1.073 2298 V CA -1.168 61.130 62.300 -0.004 0.000 0.921 2298 V CB 2.216 34.044 31.823 0.009 0.000 1.009 2298 V HN 0.412 nan 8.190 nan 0.000 0.426 2299 I N 3.984 124.547 120.570 -0.012 0.000 2.336 2299 I HA 0.383 4.553 4.170 0.000 0.000 0.292 2299 I C -0.097 176.029 176.117 0.015 0.000 0.991 2299 I CA -0.415 60.878 61.300 -0.011 0.000 1.227 2299 I CB 1.131 39.107 38.000 -0.040 0.000 1.366 2299 I HN 0.571 nan 8.210 nan 0.000 0.466 2300 N N 8.061 126.772 118.700 0.017 0.000 2.420 2300 N HA 0.358 5.098 4.740 0.000 0.000 0.249 2300 N C -0.514 175.010 175.510 0.023 0.000 1.033 2300 N CA -0.376 52.684 53.050 0.018 0.000 0.944 2300 N CB 1.603 40.100 38.487 0.018 0.000 1.113 2300 N HN 0.406 nan 8.380 nan 0.000 0.502 2301 L N 1.640 122.869 121.223 0.010 0.000 2.436 2301 L HA 0.327 4.667 4.340 0.000 0.000 0.265 2301 L C 1.179 178.061 176.870 0.021 0.000 1.168 2301 L CA -0.016 54.827 54.840 0.004 0.000 0.815 2301 L CB 0.702 42.721 42.059 -0.068 0.000 1.109 2301 L HN 0.559 nan 8.230 nan 0.000 0.462 2302 T N -2.471 112.107 114.554 0.039 0.000 2.816 2302 T HA 0.414 4.764 4.350 0.000 0.000 0.299 2302 T C -0.605 174.145 174.700 0.084 0.000 1.230 2302 T CA -1.163 60.978 62.100 0.069 0.000 1.007 2302 T CB 1.748 70.649 68.868 0.054 0.000 1.289 2302 T HN 0.296 nan 8.240 nan 0.000 0.508 2303 E N 0.533 120.798 120.200 0.108 0.000 2.409 2303 E HA 0.239 4.589 4.350 0.000 0.000 0.257 2303 E C 1.337 177.999 176.600 0.104 0.000 1.150 2303 E CA -0.422 56.052 56.400 0.123 0.000 0.942 2303 E CB 0.610 30.391 29.700 0.134 0.000 0.979 2303 E HN 0.629 nan 8.360 nan 0.000 0.447 2304 L N 1.005 122.291 121.223 0.105 0.000 2.265 2304 L HA -0.193 4.147 4.340 0.000 0.000 0.215 2304 L C 1.265 178.178 176.870 0.073 0.000 1.117 2304 L CA 0.960 55.834 54.840 0.057 0.000 0.782 2304 L CB -0.260 41.764 42.059 -0.058 0.000 0.914 2304 L HN 0.363 nan 8.230 nan 0.000 0.441 2305 D N -0.126 120.334 120.400 0.099 0.000 2.348 2305 D HA -0.050 4.590 4.640 0.000 0.000 0.216 2305 D C 1.763 178.109 176.300 0.076 0.000 0.970 2305 D CA 1.124 55.179 54.000 0.091 0.000 0.889 2305 D CB 0.178 41.039 40.800 0.102 0.000 0.912 2305 D HN 0.433 nan 8.370 nan 0.000 0.524 2306 G N 0.908 109.757 108.800 0.081 0.000 2.217 2306 G HA2 -0.288 3.672 3.960 0.000 0.000 0.246 2306 G HA3 -0.288 3.672 3.960 0.000 0.000 0.246 2306 G C 0.653 175.588 174.900 0.058 0.000 0.990 2306 G CA 0.455 45.597 45.100 0.071 0.000 0.627 2306 G HN 0.460 nan 8.290 nan 0.000 0.522 2307 T N 1.453 116.045 114.554 0.063 0.000 2.932 2307 T HA 0.493 4.843 4.350 0.000 0.000 0.312 2307 T C -1.945 172.776 174.700 0.035 0.000 1.071 2307 T CA -0.499 61.634 62.100 0.054 0.000 1.128 2307 T CB 1.721 70.630 68.868 0.068 0.000 0.984 2307 T HN 0.330 nan 8.240 nan 0.000 0.549 2308 P HA 0.183 nan 4.420 nan 0.000 0.276 2308 P C -0.511 176.649 177.300 -0.234 0.000 1.235 2308 P CA -0.572 62.460 63.100 -0.113 0.000 0.772 2308 P CB 0.357 31.961 31.700 -0.161 0.000 0.871 2309 F N 4.736 124.491 119.950 -0.324 0.000 2.444 2309 F HA 0.266 4.793 4.527 0.000 0.000 0.331 2309 F C -0.151 175.274 175.800 -0.625 0.000 1.167 2309 F CA 0.251 58.049 58.000 -0.336 0.000 1.262 2309 F CB 0.569 39.437 39.000 -0.220 0.000 1.196 2309 F HN 0.393 nan 8.300 nan 0.000 0.583 2310 H N 4.492 122.563 119.070 -1.666 0.000 2.934 2310 H HA 0.246 4.802 4.556 0.000 0.000 0.340 2310 H C -1.909 172.313 175.328 -1.843 0.000 1.008 2310 H CA -1.486 53.665 56.048 -1.495 0.000 1.317 2310 H CB 1.760 30.621 29.762 -1.501 0.000 1.670 2310 H HN 0.328 nan 8.280 nan 0.000 0.516 2311 P HA -0.225 nan 4.420 nan 0.000 0.220 2311 P C 0.993 178.094 177.300 -0.332 0.000 1.144 2311 P CA 1.290 64.063 63.100 -0.546 0.000 0.800 2311 P CB -0.006 31.652 31.700 -0.070 0.000 0.772 2312 F N -0.187 119.651 119.950 -0.187 0.000 2.569 2312 F HA 0.256 4.783 4.527 0.000 0.000 0.295 2312 F C 2.245 177.971 175.800 -0.123 0.000 1.115 2312 F CA -0.141 57.803 58.000 -0.093 0.000 1.450 2312 F CB -1.322 37.624 39.000 -0.090 0.000 1.107 2312 F HN -0.120 nan 8.300 nan 0.000 0.563 2313 E N 1.098 120.959 120.200 -0.565 0.000 2.031 2313 E HA 0.156 4.506 4.350 0.000 0.000 0.193 2313 E C 1.278 177.811 176.600 -0.110 0.000 0.994 2313 E CA 1.294 57.494 56.400 -0.334 0.000 0.800 2313 E CB -0.362 29.017 29.700 -0.535 0.000 0.752 2313 E HN 0.527 nan 8.360 nan 0.000 0.447 2314 G N -1.393 107.353 108.800 -0.090 0.000 2.500 2314 G HA2 0.186 4.146 3.960 0.000 0.000 0.299 2314 G HA3 0.186 4.146 3.960 0.000 0.000 0.299 2314 G C -2.471 172.449 174.900 0.034 0.000 1.242 2314 G CA -0.350 44.793 45.100 0.070 0.000 0.859 2314 G HN -0.093 nan 8.290 nan 0.000 0.481 2315 P HA 0.329 nan 4.420 nan 0.000 0.220 2315 P C 0.393 177.519 177.300 -0.290 0.000 1.152 2315 P CA 1.863 64.888 63.100 -0.125 0.000 0.812 2315 P CB 0.468 31.856 31.700 -0.520 0.000 0.792 2316 A N -2.829 119.799 122.820 -0.318 0.000 2.540 2316 A HA 0.579 4.899 4.320 0.000 0.000 0.291 2316 A C -3.056 174.266 177.584 -0.437 0.000 1.083 2316 A CA -1.427 50.222 52.037 -0.646 0.000 0.650 2316 A CB 0.046 18.549 19.000 -0.828 0.000 1.292 2316 A HN -0.296 nan 8.150 nan 0.000 0.435 2317 P HA 0.264 nan 4.420 nan 0.000 0.266 2317 P C -0.451 176.901 177.300 0.087 0.000 1.195 2317 P CA 0.205 63.210 63.100 -0.158 0.000 0.768 2317 P CB 0.141 31.746 31.700 -0.158 0.000 0.838 2318 I N 2.196 122.854 120.570 0.148 0.000 2.742 2318 I HA 0.007 4.177 4.170 0.000 0.000 0.287 2318 I C 1.676 177.899 176.117 0.176 0.000 1.186 2318 I CA 1.353 62.741 61.300 0.148 0.000 1.417 2318 I CB -0.807 37.273 38.000 0.133 0.000 1.377 2318 I HN 0.743 nan 8.210 nan 0.000 0.556 2319 G N 5.590 114.488 108.800 0.164 0.000 2.213 2319 G HA2 -0.308 3.652 3.960 0.000 0.000 0.226 2319 G HA3 -0.308 3.652 3.960 0.000 0.000 0.226 2319 G C 0.320 175.290 174.900 0.116 0.000 0.992 2319 G CA -0.516 44.671 45.100 0.145 0.000 0.632 2319 G HN 0.552 nan 8.290 nan 0.000 0.511 2320 F N 5.282 125.246 119.950 0.022 0.000 2.571 2320 F HA 0.400 4.927 4.527 0.000 0.000 0.390 2320 F C -0.835 174.977 175.800 0.019 0.000 1.043 2320 F CA -0.992 57.024 58.000 0.026 0.000 1.164 2320 F CB 0.399 39.420 39.000 0.035 0.000 1.049 2320 F HN 0.065 nan 8.300 nan 0.000 0.552 2321 P HA -0.130 nan 4.420 nan 0.000 0.263 2321 P C -0.614 176.575 177.300 -0.184 0.000 1.168 2321 P CA 0.397 63.209 63.100 -0.480 0.000 0.759 2321 P CB 0.530 31.621 31.700 -1.016 0.000 0.782 2322 D N 2.312 122.633 120.400 -0.130 0.000 2.670 2322 D HA 0.090 4.730 4.640 0.000 0.000 0.255 2322 D C 0.002 176.270 176.300 -0.053 0.000 1.286 2322 D CA -0.187 53.869 54.000 0.093 0.000 0.830 2322 D CB -0.362 40.560 40.800 0.204 0.000 1.065 2322 D HN 0.264 nan 8.370 nan 0.000 0.486 2323 L N 0.910 121.980 121.223 -0.256 0.000 2.315 2323 L HA 0.418 4.758 4.340 0.000 0.000 0.283 2323 L C 1.637 178.598 176.870 0.152 0.000 1.089 2323 L CA -0.469 54.261 54.840 -0.184 0.000 0.833 2323 L CB 1.410 43.220 42.059 -0.415 0.000 1.170 2323 L HN 0.068 nan 8.230 nan 0.000 0.442 2324 G N 2.945 111.812 108.800 0.112 0.000 2.654 2324 G HA2 -0.086 3.874 3.960 0.000 0.000 0.215 2324 G HA3 -0.086 3.874 3.960 0.000 0.000 0.215 2324 G C 0.998 175.969 174.900 0.117 0.000 1.310 2324 G CA 0.433 45.620 45.100 0.145 0.000 0.866 2324 G HN 0.752 nan 8.290 nan 0.000 0.558 2325 G N -0.342 108.508 108.800 0.083 0.000 3.090 2325 G HA2 0.353 4.313 3.960 0.000 0.000 0.259 2325 G HA3 0.353 4.313 3.960 0.000 0.000 0.259 2325 G C -0.467 174.469 174.900 0.061 0.000 0.797 2325 G CA 0.260 45.393 45.100 0.056 0.000 2.032 2325 G HN 0.526 nan 8.290 nan 0.000 0.614 2326 C N 0.746 120.102 119.300 0.093 0.000 3.082 2326 C HA 0.553 5.013 4.460 0.000 0.000 0.324 2326 C C -1.332 173.661 174.990 0.006 0.000 1.210 2326 C CA -1.003 58.100 59.018 0.142 0.000 1.366 2326 C CB 1.938 29.851 27.740 0.288 0.000 1.756 2326 C HN 0.488 nan 8.230 nan 0.000 0.485 2327 D N 4.560 124.928 120.400 -0.054 0.000 2.505 2327 D HA 0.407 5.047 4.640 0.000 0.000 0.242 2327 D C -0.137 176.039 176.300 -0.206 0.000 1.136 2327 D CA -0.227 53.632 54.000 -0.235 0.000 0.954 2327 D CB 0.318 41.044 40.800 -0.124 0.000 1.002 2327 D HN 0.574 nan 8.370 nan 0.000 0.512 2328 W N 3.232 124.371 121.300 -0.269 0.000 2.381 2328 W HA 0.444 5.104 4.660 0.000 0.000 0.329 2328 W C -0.322 175.958 176.519 -0.398 0.000 1.157 2328 W CA -0.774 56.325 57.345 -0.411 0.000 1.240 2328 W CB 0.124 29.397 29.460 -0.312 0.000 1.199 2328 W HN 0.295 nan 8.180 nan 0.000 0.579 2329 H N 2.347 121.366 119.070 -0.086 0.000 2.840 2329 H HA 0.507 5.063 4.556 0.000 0.000 0.340 2329 H C -0.202 175.089 175.328 -0.061 0.000 1.004 2329 H CA -0.999 54.919 56.048 -0.217 0.000 1.288 2329 H CB 1.618 31.114 29.762 -0.443 0.000 1.607 2329 H HN 0.562 nan 8.280 nan 0.000 0.522 2330 I N 0.415 121.028 120.570 0.072 0.000 2.934 2330 I HA 0.425 4.595 4.170 0.000 0.000 0.315 2330 I C -0.147 176.034 176.117 0.107 0.000 0.997 2330 I CA -0.864 60.486 61.300 0.083 0.000 1.184 2330 I CB 1.395 39.441 38.000 0.076 0.000 1.400 2330 I HN 0.301 nan 8.210 nan 0.000 0.549 2331 N N 4.421 123.174 118.700 0.089 0.000 2.437 2331 N HA 0.424 5.164 4.740 0.000 0.000 0.259 2331 N C -1.271 174.271 175.510 0.053 0.000 0.983 2331 N CA -0.460 52.639 53.050 0.082 0.000 0.937 2331 N CB 0.860 39.395 38.487 0.080 0.000 1.122 2331 N HN 0.631 nan 8.380 nan 0.000 0.499 2332 M N 2.269 121.889 119.600 0.034 0.000 2.268 2332 M HA 0.314 4.794 4.480 0.000 0.000 0.344 2332 M C -0.036 176.293 176.300 0.049 0.000 1.106 2332 M CA -0.672 54.636 55.300 0.015 0.000 1.010 2332 M CB 1.606 34.148 32.600 -0.097 0.000 1.649 2332 M HN 0.567 nan 8.290 nan 0.000 0.443 2333 T N 0.141 114.725 114.554 0.050 0.000 2.910 2333 T HA 0.705 5.055 4.350 0.000 0.000 0.287 2333 T C -0.796 173.877 174.700 -0.045 0.000 1.050 2333 T CA -0.891 61.220 62.100 0.018 0.000 1.011 2333 T CB 2.667 71.506 68.868 -0.048 0.000 1.195 2333 T HN 0.724 nan 8.240 nan 0.000 0.540 2334 Q N -0.510 119.204 119.800 -0.144 0.000 2.418 2334 Q HA 0.542 4.882 4.340 0.000 0.000 0.282 2334 Q C -1.766 174.098 176.000 -0.226 0.000 1.044 2334 Q CA -0.900 54.713 55.803 -0.318 0.000 0.813 2334 Q CB 2.162 30.695 28.738 -0.342 0.000 1.428 2334 Q HN 0.706 nan 8.270 nan 0.000 0.402 2335 F N 0.861 120.825 119.950 0.022 0.000 2.410 2335 F HA 0.404 4.931 4.527 0.000 0.000 0.348 2335 F C 1.499 177.383 175.800 0.140 0.000 1.106 2335 F CA 0.791 58.825 58.000 0.058 0.000 1.163 2335 F CB 1.484 40.499 39.000 0.025 0.000 1.129 2335 F HN 0.921 nan 8.300 nan 0.000 0.516 2336 G N 1.741 110.699 108.800 0.264 0.000 2.245 2336 G HA2 -0.312 3.648 3.960 0.000 0.000 0.264 2336 G HA3 -0.312 3.648 3.960 0.000 0.000 0.264 2336 G C -0.327 174.513 174.900 -0.100 0.000 0.985 2336 G CA -0.093 45.048 45.100 0.068 0.000 0.625 2336 G HN 0.746 nan 8.290 nan 0.000 0.536 2337 H N 0.828 119.910 119.070 0.020 0.000 2.638 2337 H HA 0.567 5.123 4.556 0.000 0.000 0.317 2337 H C 0.292 175.628 175.328 0.012 0.000 1.006 2337 H CA -0.086 55.963 56.048 0.001 0.000 1.222 2337 H CB 1.269 31.011 29.762 -0.033 0.000 1.419 2337 H HN 0.301 nan 8.280 nan 0.000 0.489 2338 S N 2.655 118.410 115.700 0.092 0.000 2.465 2338 S HA 0.381 4.851 4.470 0.000 0.000 0.307 2338 S C 0.064 174.713 174.600 0.082 0.000 1.187 2338 S CA -0.385 57.857 58.200 0.071 0.000 1.141 2338 S CB -0.443 62.782 63.200 0.041 0.000 1.108 2338 S HN 0.695 nan 8.310 nan 0.000 0.525 2339 S N 1.538 117.287 115.700 0.082 0.000 2.578 2339 S HA 0.559 5.029 4.470 0.000 0.000 0.272 2339 S C -1.572 173.070 174.600 0.071 0.000 1.145 2339 S CA -1.045 57.203 58.200 0.080 0.000 0.835 2339 S CB 1.658 64.923 63.200 0.108 0.000 1.104 2339 S HN 0.775 nan 8.310 nan 0.000 0.458 2340 Q N 1.046 120.883 119.800 0.061 0.000 2.334 2340 Q HA 0.546 4.886 4.340 0.000 0.000 0.249 2340 Q C -1.204 174.820 176.000 0.041 0.000 0.909 2340 Q CA -0.400 55.434 55.803 0.051 0.000 0.823 2340 Q CB 1.747 30.513 28.738 0.046 0.000 1.353 2340 Q HN 1.034 nan 8.270 nan 0.000 0.433 2341 T N 0.085 114.653 114.554 0.023 0.000 2.910 2341 T HA 0.570 4.920 4.350 0.000 0.000 0.287 2341 T C -0.590 174.111 174.700 0.002 0.000 1.050 2341 T CA -0.795 61.300 62.100 -0.008 0.000 1.011 2341 T CB 2.013 70.838 68.868 -0.071 0.000 1.195 2341 T HN 0.545 nan 8.240 nan 0.000 0.540 2342 Q N 0.125 119.922 119.800 -0.006 0.000 2.337 2342 Q HA 0.474 4.814 4.340 0.000 0.000 0.266 2342 Q C -2.132 173.888 176.000 0.033 0.000 1.023 2342 Q CA -0.997 54.817 55.803 0.018 0.000 0.829 2342 Q CB 1.467 30.199 28.738 -0.010 0.000 1.306 2342 Q HN 0.736 nan 8.270 nan 0.000 0.449 2343 Y N 4.190 124.428 120.300 -0.102 0.000 2.464 2343 Y HA 0.335 4.885 4.550 0.000 0.000 0.326 2343 Y C -1.420 174.425 175.900 -0.092 0.000 0.969 2343 Y CA -1.659 56.372 58.100 -0.116 0.000 1.270 2343 Y CB 0.840 39.237 38.460 -0.106 0.000 1.103 2343 Y HN 0.613 nan 8.280 nan 0.000 0.491 2344 D N 5.705 126.053 120.400 -0.087 0.000 2.317 2344 D HA 0.349 4.989 4.640 0.000 0.000 0.252 2344 D C -0.533 175.509 176.300 -0.429 0.000 1.174 2344 D CA 0.155 53.986 54.000 -0.283 0.000 0.866 2344 D CB 1.885 42.477 40.800 -0.347 0.000 1.127 2344 D HN 0.224 nan 8.370 nan 0.000 0.467 2345 V N 1.800 121.359 119.914 -0.591 0.000 2.540 2345 V HA 0.282 4.402 4.120 0.000 0.000 0.302 2345 V C -0.212 175.415 176.094 -0.778 0.000 1.035 2345 V CA -0.941 60.906 62.300 -0.754 0.000 0.873 2345 V CB 2.121 33.315 31.823 -1.047 0.000 0.992 2345 V HN 0.365 nan 8.190 nan 0.000 0.428 2346 D N 2.436 122.448 120.400 -0.648 0.000 2.303 2346 D HA 0.340 4.980 4.640 0.000 0.000 0.236 2346 D C 1.105 176.845 176.300 -0.933 0.000 1.068 2346 D CA -0.118 53.505 54.000 -0.629 0.000 0.830 2346 D CB 2.126 42.710 40.800 -0.360 0.000 1.109 2346 D HN 0.691 nan 8.370 nan 0.000 0.496 2347 T N -0.065 113.848 114.554 -1.069 0.000 3.194 2347 T HA 0.000 4.350 4.350 0.000 0.000 0.251 2347 T C 1.191 175.482 174.700 -0.681 0.000 1.132 2347 T CA 0.496 61.765 62.100 -1.385 0.000 1.028 2347 T CB -0.139 68.190 68.868 -0.898 0.000 0.976 2347 T HN 0.321 nan 8.240 nan 0.000 0.535 2348 T N 1.496 115.759 114.554 -0.485 0.000 2.983 2348 T HA 0.180 4.530 4.350 0.000 0.000 0.250 2348 T C -1.550 172.971 174.700 -0.298 0.000 1.037 2348 T CA -0.195 61.705 62.100 -0.333 0.000 1.142 2348 T CB -1.040 67.602 68.868 -0.377 0.000 0.876 2348 T HN 0.362 nan 8.240 nan 0.000 0.455 2349 P HA 0.095 nan 4.420 nan 0.000 0.267 2349 P C -0.193 177.085 177.300 -0.037 0.000 1.201 2349 P CA 0.228 63.211 63.100 -0.194 0.000 0.775 2349 P CB 0.317 31.933 31.700 -0.139 0.000 0.854 2350 D N -0.551 119.832 120.400 -0.028 0.000 2.378 2350 D HA -0.101 4.539 4.640 0.000 0.000 0.222 2350 D C 1.644 177.968 176.300 0.041 0.000 0.980 2350 D CA 1.232 55.241 54.000 0.014 0.000 0.907 2350 D CB -0.568 40.235 40.800 0.004 0.000 0.899 2350 D HN 0.465 nan 8.370 nan 0.000 0.527 2351 T N -2.310 112.274 114.554 0.051 0.000 3.088 2351 T HA -0.042 4.308 4.350 0.000 0.000 0.259 2351 T C 0.586 175.354 174.700 0.113 0.000 1.122 2351 T CA -0.352 61.787 62.100 0.065 0.000 1.095 2351 T CB -0.466 68.435 68.868 0.056 0.000 0.930 2351 T HN -0.004 nan 8.240 nan 0.000 0.508 2352 F N 3.064 122.993 119.950 -0.035 0.000 2.567 2352 F HA 0.518 5.045 4.527 0.000 0.000 0.352 2352 F C -0.554 175.243 175.800 -0.006 0.000 1.229 2352 F CA -1.389 56.595 58.000 -0.027 0.000 1.228 2352 F CB 0.345 39.295 39.000 -0.082 0.000 1.568 2352 F HN -0.094 nan 8.300 nan 0.000 0.634 2353 V N 8.296 128.085 119.914 -0.207 0.000 2.271 2353 V HA 0.175 4.295 4.120 0.000 0.000 0.259 2353 V C -1.782 174.161 176.094 -0.251 0.000 1.030 2353 V CA -1.096 61.112 62.300 -0.154 0.000 0.957 2353 V CB 0.658 32.466 31.823 -0.024 0.000 1.186 2353 V HN 0.443 nan 8.190 nan 0.000 0.471 2354 P HA -0.195 nan 4.420 nan 0.000 0.218 2354 P C 1.597 178.665 177.300 -0.388 0.000 1.148 2354 P CA 1.211 63.953 63.100 -0.596 0.000 0.822 2354 P CB 0.092 31.255 31.700 -0.895 0.000 0.784 2355 H N -0.479 118.480 119.070 -0.184 0.000 2.518 2355 H HA 0.003 4.559 4.556 0.000 0.000 0.289 2355 H C 1.096 176.508 175.328 0.140 0.000 1.051 2355 H CA 1.039 57.087 56.048 0.001 0.000 1.280 2355 H CB -0.197 29.600 29.762 0.058 0.000 1.380 2355 H HN 0.160 nan 8.280 nan 0.000 0.566 2356 L N -0.719 120.584 121.223 0.133 0.000 2.959 2356 L HA 0.209 4.549 4.340 0.000 0.000 0.259 2356 L C 1.255 178.178 176.870 0.089 0.000 1.185 2356 L CA 0.331 55.264 54.840 0.155 0.000 0.998 2356 L CB 0.696 42.831 42.059 0.126 0.000 1.337 2356 L HN 0.321 nan 8.230 nan 0.000 0.555 2357 G N 0.559 109.337 108.800 -0.037 0.000 2.225 2357 G HA2 -0.266 3.694 3.960 0.000 0.000 0.267 2357 G HA3 -0.266 3.694 3.960 0.000 0.000 0.267 2357 G C 0.021 174.893 174.900 -0.046 0.000 1.024 2357 G CA 0.583 45.631 45.100 -0.087 0.000 0.784 2357 G HN 0.356 nan 8.290 nan 0.000 0.507 2358 S N -0.261 115.402 115.700 -0.062 0.000 2.594 2358 S HA 0.796 5.266 4.470 0.000 0.000 0.296 2358 S C 0.131 174.703 174.600 -0.046 0.000 1.124 2358 S CA -0.221 57.963 58.200 -0.027 0.000 1.011 2358 S CB 1.881 65.080 63.200 -0.001 0.000 1.016 2358 S HN 1.028 nan 8.310 nan 0.000 0.485 2359 I N -0.109 120.469 120.570 0.013 0.000 3.279 2359 I HA 0.557 4.727 4.170 0.000 0.000 0.315 2359 I C -0.175 176.015 176.117 0.122 0.000 1.187 2359 I CA -1.447 59.901 61.300 0.080 0.000 0.953 2359 I CB 1.345 39.448 38.000 0.171 0.000 1.279 2359 I HN 0.558 nan 8.210 nan 0.000 0.465 2360 Q N 2.064 121.983 119.800 0.198 0.000 2.544 2360 Q HA 0.605 4.945 4.340 0.000 0.000 0.194 2360 Q C -0.426 175.637 176.000 0.105 0.000 1.104 2360 Q CA -0.534 55.354 55.803 0.142 0.000 1.131 2360 Q CB 0.883 29.708 28.738 0.145 0.000 1.210 2360 Q HN 0.908 nan 8.270 nan 0.000 0.639 2361 A N 1.634 124.471 122.820 0.029 0.000 3.277 2361 A HA 0.124 4.444 4.320 0.000 0.000 0.281 2361 A C 0.092 177.647 177.584 -0.047 0.000 1.179 2361 A CA -0.476 51.491 52.037 -0.117 0.000 0.879 2361 A CB -0.450 18.455 19.000 -0.159 0.000 1.374 2361 A HN 0.773 nan 8.150 nan 0.000 0.590 2362 N N 1.133 119.859 118.700 0.043 0.000 2.659 2362 N HA 0.009 4.749 4.740 0.000 0.000 0.194 2362 N C 0.761 176.254 175.510 -0.028 0.000 1.140 2362 N CA 1.564 54.622 53.050 0.014 0.000 0.936 2362 N CB 0.078 38.581 38.487 0.026 0.000 0.970 2362 N HN 1.307 nan 8.380 nan 0.000 0.449 2363 G N -0.398 108.364 108.800 -0.063 0.000 4.445 2363 G HA2 0.197 4.157 3.960 0.000 0.000 0.228 2363 G HA3 0.197 4.157 3.960 0.000 0.000 0.228 2363 G C -0.842 173.989 174.900 -0.116 0.000 2.381 2363 G CA -0.605 44.450 45.100 -0.074 0.000 0.984 2363 G HN 0.200 nan 8.290 nan 0.000 0.427 2364 I N 1.503 121.974 120.570 -0.165 0.000 2.436 2364 I HA 0.575 4.745 4.170 0.000 0.000 0.289 2364 I C 1.098 177.138 176.117 -0.128 0.000 1.010 2364 I CA -1.092 60.072 61.300 -0.227 0.000 1.098 2364 I CB 1.955 39.689 38.000 -0.443 0.000 1.266 2364 I HN 0.131 nan 8.210 nan 0.000 0.434 2365 G N 3.490 112.256 108.800 -0.057 0.000 2.684 2365 G HA2 0.292 4.252 3.960 0.000 0.000 0.255 2365 G HA3 0.292 4.252 3.960 0.000 0.000 0.255 2365 G C 0.170 175.113 174.900 0.072 0.000 1.219 2365 G CA -0.405 44.703 45.100 0.014 0.000 0.901 2365 G HN 0.713 nan 8.290 nan 0.000 0.548 2366 S N -1.039 114.690 115.700 0.048 0.000 2.584 2366 S HA 0.704 5.174 4.470 0.000 0.000 0.270 2366 S C 0.670 175.283 174.600 0.022 0.000 1.346 2366 S CA 0.307 58.532 58.200 0.042 0.000 1.018 2366 S CB 1.220 64.424 63.200 0.007 0.000 0.899 2366 S HN 2.259 nan 8.310 nan 0.000 0.542 2367 G N 0.740 109.521 108.800 -0.032 0.000 2.302 2367 G HA2 0.180 4.140 3.960 0.000 0.000 0.264 2367 G HA3 0.180 4.140 3.960 0.000 0.000 0.264 2367 G C -1.930 172.831 174.900 -0.233 0.000 1.335 2367 G CA -0.462 44.498 45.100 -0.232 0.000 0.982 2367 G HN 1.332 nan 8.290 nan 0.000 0.473 2368 N N -0.456 117.960 118.700 -0.473 0.000 2.371 2368 N HA 0.629 5.369 4.740 0.000 0.000 0.291 2368 N C -1.673 173.563 175.510 -0.457 0.000 1.053 2368 N CA -0.525 52.369 53.050 -0.260 0.000 0.870 2368 N CB 2.219 40.636 38.487 -0.117 0.000 1.503 2368 N HN 0.542 nan 8.380 nan 0.000 0.485 2369 Y N 0.063 120.290 120.300 -0.122 0.000 2.686 2369 Y HA 0.665 5.215 4.550 0.000 0.000 0.330 2369 Y C -0.061 175.749 175.900 -0.150 0.000 1.082 2369 Y CA -1.131 56.871 58.100 -0.164 0.000 1.158 2369 Y CB 1.745 40.120 38.460 -0.142 0.000 1.333 2369 Y HN 0.251 nan 8.280 nan 0.000 0.519 2370 V N 1.227 121.140 119.914 -0.001 0.000 2.419 2370 V HA 0.643 4.763 4.120 0.000 0.000 0.287 2370 V C -0.104 175.986 176.094 -0.008 0.000 1.017 2370 V CA -0.748 61.523 62.300 -0.048 0.000 0.844 2370 V CB 1.147 32.863 31.823 -0.179 0.000 1.011 2370 V HN 0.908 nan 8.190 nan 0.000 0.429 2371 G N 3.141 111.958 108.800 0.027 0.000 2.388 2371 G HA2 0.661 4.621 3.960 0.000 0.000 0.330 2371 G HA3 0.661 4.621 3.960 0.000 0.000 0.330 2371 G C -1.076 173.826 174.900 0.003 0.000 1.142 2371 G CA -0.559 44.562 45.100 0.035 0.000 0.908 2371 G HN 0.517 nan 8.290 nan 0.000 0.473 2372 V N 3.022 122.936 119.914 0.000 0.000 2.444 2372 V HA 0.300 4.420 4.120 0.000 0.000 0.294 2372 V C 0.340 176.416 176.094 -0.030 0.000 1.022 2372 V CA -0.740 61.544 62.300 -0.028 0.000 0.850 2372 V CB 1.455 33.267 31.823 -0.018 0.000 0.992 2372 V HN 0.651 nan 8.190 nan 0.000 0.426 2373 L N 4.375 125.544 121.223 -0.090 0.000 2.559 2373 L HA 0.157 4.497 4.340 0.000 0.000 0.274 2373 L C 1.012 177.847 176.870 -0.058 0.000 1.205 2373 L CA 0.626 55.403 54.840 -0.106 0.000 0.907 2373 L CB 0.664 42.567 42.059 -0.260 0.000 1.153 2373 L HN 0.971 nan 8.230 nan 0.000 0.490 2374 S N 0.822 116.525 115.700 0.006 0.000 2.800 2374 S HA 0.112 4.582 4.470 0.000 0.000 0.266 2374 S C -0.730 173.943 174.600 0.121 0.000 1.029 2374 S CA -0.631 57.592 58.200 0.038 0.000 1.302 2374 S CB 0.369 63.604 63.200 0.058 0.000 1.212 2374 S HN 0.645 nan 8.310 nan 0.000 0.683 2375 W N 2.907 124.117 121.300 -0.150 0.000 3.615 2375 W HA 0.669 5.329 4.660 0.000 0.000 0.319 2375 W C -2.143 174.104 176.519 -0.453 0.000 1.172 2375 W CA -2.260 54.955 57.345 -0.218 0.000 1.240 2375 W CB 0.898 30.321 29.460 -0.063 0.000 1.313 2375 W HN 0.262 nan 8.180 nan 0.000 0.487 2376 I N 2.476 123.076 120.570 0.050 0.000 2.846 2376 I HA 0.888 5.058 4.170 0.000 0.000 0.307 2376 I C -0.532 175.538 176.117 -0.077 0.000 1.053 2376 I CA -0.803 60.394 61.300 -0.171 0.000 1.050 2376 I CB 2.194 40.170 38.000 -0.040 0.000 1.239 2376 I HN 0.250 nan 8.210 nan 0.000 0.439 2377 S N 2.673 118.346 115.700 -0.046 0.000 2.579 2377 S HA 0.630 5.100 4.470 0.000 0.000 0.272 2377 S C -2.935 171.753 174.600 0.145 0.000 1.141 2377 S CA -1.291 56.979 58.200 0.117 0.000 0.843 2377 S CB 2.191 65.506 63.200 0.190 0.000 1.122 2377 S HN 0.630 nan 8.310 nan 0.000 0.468 2378 P HA 0.205 nan 4.420 nan 0.000 0.268 2378 P C -2.710 174.617 177.300 0.044 0.000 1.204 2378 P CA -1.077 62.096 63.100 0.122 0.000 0.768 2378 P CB -0.657 31.111 31.700 0.115 0.000 0.842 2379 P HA -0.100 nan 4.420 nan 0.000 0.256 2379 P C 1.134 178.417 177.300 -0.029 0.000 1.173 2379 P CA 0.586 63.664 63.100 -0.037 0.000 0.768 2379 P CB 0.245 31.926 31.700 -0.032 0.000 0.758 2380 S N 3.244 118.915 115.700 -0.048 0.000 2.329 2380 S HA -0.209 4.261 4.470 0.000 0.000 0.215 2380 S C 1.921 176.508 174.600 -0.023 0.000 1.031 2380 S CA 0.735 58.913 58.200 -0.037 0.000 0.985 2380 S CB -1.436 61.731 63.200 -0.054 0.000 0.917 2380 S HN 0.549 nan 8.310 nan 0.000 0.441 2381 H N 3.898 122.908 119.070 -0.100 0.000 2.390 2381 H HA -0.036 4.520 4.556 0.000 0.000 0.298 2381 H C -0.313 174.977 175.328 -0.063 0.000 1.106 2381 H CA 2.246 58.243 56.048 -0.085 0.000 1.297 2381 H CB -1.233 28.466 29.762 -0.106 0.000 1.375 2381 H HN 0.447 nan 8.280 nan 0.000 0.509 2382 P HA -0.075 nan 4.420 nan 0.000 0.213 2382 P C 0.757 178.017 177.300 -0.067 0.000 1.170 2382 P CA 2.421 65.519 63.100 -0.004 0.000 0.898 2382 P CB 0.075 31.782 31.700 0.012 0.000 0.787 2383 S N -4.792 110.874 115.700 -0.057 0.000 2.849 2383 S HA 0.389 4.859 4.470 0.000 0.000 0.226 2383 S C 0.877 175.452 174.600 -0.042 0.000 0.809 2383 S CA 0.137 58.302 58.200 -0.058 0.000 1.324 2383 S CB -0.745 62.433 63.200 -0.038 0.000 1.275 2383 S HN 0.484 nan 8.310 nan 0.000 0.585 2384 G N 0.972 109.750 108.800 -0.037 0.000 2.298 2384 G HA2 -0.207 3.753 3.960 0.000 0.000 0.287 2384 G HA3 -0.207 3.753 3.960 0.000 0.000 0.287 2384 G C 0.025 174.921 174.900 -0.007 0.000 1.075 2384 G CA 0.388 45.475 45.100 -0.021 0.000 0.960 2384 G HN 0.730 nan 8.290 nan 0.000 0.502 2385 S N -1.305 114.392 115.700 -0.005 0.000 2.748 2385 S HA 0.601 5.071 4.470 0.000 0.000 0.299 2385 S C 0.654 175.259 174.600 0.008 0.000 1.119 2385 S CA -0.568 57.633 58.200 0.001 0.000 0.997 2385 S CB 1.099 64.298 63.200 -0.002 0.000 1.223 2385 S HN 0.592 nan 8.310 nan 0.000 0.541 2386 Q N 0.676 120.478 119.800 0.003 0.000 2.479 2386 Q HA 0.150 4.490 4.340 0.000 0.000 0.267 2386 Q C -1.016 174.978 176.000 -0.010 0.000 1.071 2386 Q CA 0.030 55.827 55.803 -0.009 0.000 0.935 2386 Q CB 0.396 29.124 28.738 -0.017 0.000 1.295 2386 Q HN 0.424 nan 8.270 nan 0.000 0.476 2387 V N 2.361 122.244 119.914 -0.051 0.000 2.406 2387 V HA 0.141 4.261 4.120 0.000 0.000 0.272 2387 V C -0.304 175.752 176.094 -0.063 0.000 1.043 2387 V CA -0.366 61.901 62.300 -0.054 0.000 0.915 2387 V CB 1.256 32.998 31.823 -0.135 0.000 0.988 2387 V HN 0.664 nan 8.190 nan 0.000 0.466 2388 D N 4.244 124.638 120.400 -0.009 0.000 2.438 2388 D HA 0.325 4.965 4.640 0.000 0.000 0.257 2388 D C 0.653 176.936 176.300 -0.027 0.000 1.148 2388 D CA -0.327 53.694 54.000 0.036 0.000 0.902 2388 D CB 1.327 42.193 40.800 0.110 0.000 1.062 2388 D HN 0.463 nan 8.370 nan 0.000 0.518 2389 L N 2.075 123.157 121.223 -0.234 0.000 2.551 2389 L HA 0.033 4.373 4.340 0.000 0.000 0.228 2389 L C 1.163 177.827 176.870 -0.343 0.000 1.153 2389 L CA 0.375 55.008 54.840 -0.345 0.000 0.851 2389 L CB -0.019 41.746 42.059 -0.491 0.000 0.959 2389 L HN 0.456 nan 8.230 nan 0.000 0.451 2390 W N 0.193 121.526 121.300 0.055 0.000 2.678 2390 W HA 0.013 4.673 4.660 0.000 0.000 0.256 2390 W C 1.262 177.929 176.519 0.247 0.000 1.280 2390 W CA -0.352 57.091 57.345 0.163 0.000 1.345 2390 W CB 0.019 29.490 29.460 0.018 0.000 1.118 2390 W HN -0.090 nan 8.180 nan 0.000 0.629 2391 K N 0.878 121.464 120.400 0.309 0.000 2.102 2391 K HA 0.416 4.736 4.320 0.000 0.000 0.244 2391 K C -0.389 176.353 176.600 0.238 0.000 1.021 2391 K CA -0.598 55.836 56.287 0.246 0.000 0.913 2391 K CB 1.422 34.019 32.500 0.161 0.000 1.062 2391 K HN -0.167 nan 8.250 nan 0.000 0.485 2392 I N 2.368 123.074 120.570 0.227 0.000 2.509 2392 I HA 0.372 4.542 4.170 0.000 0.000 0.293 2392 I C -2.313 173.895 176.117 0.152 0.000 1.020 2392 I CA -2.729 58.713 61.300 0.237 0.000 1.088 2392 I CB 2.086 40.280 38.000 0.324 0.000 1.267 2392 I HN 0.485 nan 8.210 nan 0.000 0.430 2393 P HA 0.045 nan 4.420 nan 0.000 0.273 2393 P C -1.162 176.074 177.300 -0.108 0.000 1.250 2393 P CA -0.284 62.823 63.100 0.012 0.000 0.793 2393 P CB 0.421 32.198 31.700 0.128 0.000 1.011 2394 N N 0.601 119.290 118.700 -0.018 0.000 2.401 2394 N HA 0.091 4.831 4.740 0.000 0.000 0.255 2394 N C -1.240 174.288 175.510 0.031 0.000 1.110 2394 N CA -0.114 52.959 53.050 0.038 0.000 0.949 2394 N CB -0.657 37.874 38.487 0.074 0.000 1.110 2394 N HN 0.216 nan 8.380 nan 0.000 0.490 2395 Y N 1.413 121.813 120.300 0.166 0.000 2.336 2395 Y HA 0.320 4.870 4.550 0.000 0.000 0.335 2395 Y C 1.640 177.566 175.900 0.043 0.000 1.046 2395 Y CA -0.814 57.331 58.100 0.074 0.000 1.198 2395 Y CB 0.992 39.495 38.460 0.072 0.000 1.182 2395 Y HN 0.595 nan 8.280 nan 0.000 0.502 2396 G N 2.027 110.903 108.800 0.127 0.000 2.164 2396 G HA2 -0.065 3.895 3.960 0.000 0.000 0.259 2396 G HA3 -0.065 3.895 3.960 0.000 0.000 0.259 2396 G C 0.357 175.267 174.900 0.017 0.000 0.894 2396 G CA -0.091 45.053 45.100 0.073 0.000 0.961 2396 G HN 0.784 nan 8.290 nan 0.000 0.369 2397 S N 1.791 117.492 115.700 0.002 0.000 4.053 2397 S HA 0.225 4.695 4.470 0.000 0.000 0.184 2397 S C 0.745 175.300 174.600 -0.075 0.000 1.324 2397 S CA -0.449 57.724 58.200 -0.045 0.000 0.956 2397 S CB 0.113 63.310 63.200 -0.004 0.000 1.503 2397 S HN 0.476 nan 8.310 nan 0.000 0.440 2398 S N 2.378 117.986 115.700 -0.153 0.000 2.465 2398 S HA 0.190 4.660 4.470 0.000 0.000 0.307 2398 S C 1.360 175.908 174.600 -0.086 0.000 1.187 2398 S CA -0.543 57.605 58.200 -0.088 0.000 1.141 2398 S CB -0.389 62.794 63.200 -0.029 0.000 1.108 2398 S HN 0.667 nan 8.310 nan 0.000 0.525 2399 I N 2.202 122.753 120.570 -0.032 0.000 2.454 2399 I HA -0.158 4.012 4.170 0.000 0.000 0.254 2399 I C 2.404 178.524 176.117 0.006 0.000 1.156 2399 I CA 1.082 62.373 61.300 -0.015 0.000 1.433 2399 I CB -0.816 37.184 38.000 -0.001 0.000 1.082 2399 I HN 0.603 nan 8.210 nan 0.000 0.432 2400 T N -2.296 112.272 114.554 0.022 0.000 3.169 2400 T HA 0.171 4.521 4.350 0.000 0.000 0.250 2400 T C 0.469 175.213 174.700 0.073 0.000 1.111 2400 T CA 0.066 62.192 62.100 0.044 0.000 1.010 2400 T CB -0.093 68.805 68.868 0.049 0.000 0.984 2400 T HN 0.162 nan 8.240 nan 0.000 0.537 2401 E N 0.780 121.027 120.200 0.078 0.000 2.308 2401 E HA 0.537 4.887 4.350 0.000 0.000 0.275 2401 E C -1.167 175.508 176.600 0.126 0.000 0.890 2401 E CA -0.856 55.641 56.400 0.161 0.000 0.754 2401 E CB 2.124 32.025 29.700 0.334 0.000 1.207 2401 E HN 0.224 nan 8.360 nan 0.000 0.426 2402 A N 2.426 125.347 122.820 0.168 0.000 2.541 2402 A HA 0.153 4.473 4.320 0.000 0.000 0.293 2402 A C 0.382 178.107 177.584 0.234 0.000 1.307 2402 A CA 0.032 52.162 52.037 0.155 0.000 0.978 2402 A CB -0.775 18.316 19.000 0.153 0.000 1.111 2402 A HN 0.402 nan 8.150 nan 0.000 0.535 2403 T N 3.815 118.435 114.554 0.110 0.000 3.416 2403 T HA -0.032 4.318 4.350 0.000 0.000 0.247 2403 T C 0.501 175.302 174.700 0.169 0.000 0.973 2403 T CA 0.417 62.595 62.100 0.130 0.000 1.166 2403 T CB -0.936 67.893 68.868 -0.064 0.000 1.040 2403 T HN 0.629 nan 8.240 nan 0.000 0.746 2404 H N 4.787 123.946 119.070 0.147 0.000 3.224 2404 H HA 0.228 4.784 4.556 0.000 0.000 0.265 2404 H C -0.077 175.289 175.328 0.063 0.000 1.461 2404 H CA -0.235 55.867 56.048 0.090 0.000 1.509 2404 H CB -0.284 29.530 29.762 0.086 0.000 1.686 2404 H HN 0.467 nan 8.280 nan 0.000 0.514 2405 L N 3.001 124.105 121.223 -0.199 0.000 2.416 2405 L HA 0.411 4.751 4.340 0.000 0.000 0.262 2405 L C 0.594 177.327 176.870 -0.228 0.000 1.093 2405 L CA -0.915 53.836 54.840 -0.147 0.000 0.801 2405 L CB 1.089 43.125 42.059 -0.039 0.000 1.191 2405 L HN 0.542 nan 8.230 nan 0.000 0.459 2406 A N 2.753 125.521 122.820 -0.086 0.000 2.363 2406 A HA 0.541 4.861 4.320 0.000 0.000 0.270 2406 A C -2.225 175.348 177.584 -0.018 0.000 1.121 2406 A CA -1.346 50.667 52.037 -0.039 0.000 0.800 2406 A CB -0.200 18.826 19.000 0.042 0.000 1.052 2406 A HN 0.422 nan 8.150 nan 0.000 0.493 2407 P HA 0.109 nan 4.420 nan 0.000 0.271 2407 P C -0.094 177.204 177.300 -0.003 0.000 1.244 2407 P CA -0.061 63.036 63.100 -0.005 0.000 0.793 2407 P CB 0.471 32.175 31.700 0.007 0.000 0.984 2408 S N -0.757 114.941 115.700 -0.003 0.000 2.616 2408 S HA 0.545 5.015 4.470 0.000 0.000 0.277 2408 S C 0.312 174.881 174.600 -0.053 0.000 1.234 2408 S CA -0.734 57.450 58.200 -0.026 0.000 1.028 2408 S CB 0.889 64.082 63.200 -0.011 0.000 0.988 2408 S HN 0.465 nan 8.310 nan 0.000 0.522 2409 V N -0.479 119.330 119.914 -0.175 0.000 2.864 2409 V HA 0.932 5.052 4.120 0.000 0.000 0.314 2409 V C -1.038 174.889 176.094 -0.277 0.000 1.073 2409 V CA -1.205 60.838 62.300 -0.428 0.000 0.956 2409 V CB 0.545 31.779 31.823 -0.982 0.000 1.023 2409 V HN 1.133 nan 8.190 nan 0.000 0.435 2410 Y N 0.800 120.801 120.300 -0.498 0.000 2.592 2410 Y HA 0.850 5.400 4.550 0.000 0.000 0.334 2410 Y C -3.143 172.604 175.900 -0.254 0.000 1.136 2410 Y CA -2.532 55.384 58.100 -0.307 0.000 1.042 2410 Y CB 1.797 40.145 38.460 -0.187 0.000 1.325 2410 Y HN 0.526 nan 8.280 nan 0.000 0.457 2411 P HA 0.220 nan 4.420 nan 0.000 0.276 2411 P C -2.437 174.764 177.300 -0.166 0.000 1.264 2411 P CA -1.201 61.802 63.100 -0.161 0.000 0.769 2411 P CB 1.545 33.230 31.700 -0.025 0.000 0.840 2412 P HA 0.103 nan 4.420 nan 0.000 0.251 2412 P C 0.999 178.225 177.300 -0.124 0.000 1.223 2412 P CA 0.411 63.372 63.100 -0.232 0.000 0.796 2412 P CB 0.292 31.755 31.700 -0.395 0.000 1.068 2413 G N -0.579 108.183 108.800 -0.063 0.000 2.588 2413 G HA2 0.302 4.262 3.960 0.000 0.000 0.281 2413 G HA3 0.302 4.262 3.960 0.000 0.000 0.281 2413 G C -0.785 174.105 174.900 -0.016 0.000 1.236 2413 G CA -0.660 44.419 45.100 -0.034 0.000 0.969 2413 G HN -0.016 nan 8.290 nan 0.000 0.504 2414 F N 1.031 121.096 119.950 0.193 0.000 2.512 2414 F HA 0.338 4.865 4.527 0.000 0.000 0.350 2414 F C 1.562 177.417 175.800 0.092 0.000 1.212 2414 F CA 1.014 59.097 58.000 0.138 0.000 1.099 2414 F CB 0.348 39.422 39.000 0.123 0.000 1.238 2414 F HN 0.734 nan 8.300 nan 0.000 0.600 2415 G N 2.132 111.071 108.800 0.233 0.000 2.221 2415 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 2415 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 2415 G C -0.129 174.837 174.900 0.111 0.000 1.041 2415 G CA -0.351 44.837 45.100 0.146 0.000 0.807 2415 G HN 0.585 nan 8.290 nan 0.000 0.502 2416 E N -1.216 119.048 120.200 0.106 0.000 2.283 2416 E HA 0.659 5.009 4.350 0.000 0.000 0.267 2416 E C 0.161 176.796 176.600 0.058 0.000 1.045 2416 E CA -0.731 55.721 56.400 0.085 0.000 0.884 2416 E CB 2.071 31.834 29.700 0.105 0.000 1.106 2416 E HN 0.184 nan 8.360 nan 0.000 0.408 2417 V N 1.950 121.894 119.914 0.050 0.000 3.040 2417 V HA 0.290 4.410 4.120 0.000 0.000 0.312 2417 V C -0.278 175.823 176.094 0.012 0.000 1.115 2417 V CA -1.001 61.319 62.300 0.033 0.000 0.998 2417 V CB 1.656 33.502 31.823 0.038 0.000 1.042 2417 V HN 0.545 nan 8.190 nan 0.000 0.433 2418 L N 2.183 123.385 121.223 -0.035 0.000 2.453 2418 L HA 0.345 4.685 4.340 0.000 0.000 0.272 2418 L C -0.453 176.214 176.870 -0.338 0.000 1.182 2418 L CA -0.144 54.566 54.840 -0.218 0.000 0.858 2418 L CB 1.000 42.847 42.059 -0.354 0.000 1.120 2418 L HN 0.383 nan 8.230 nan 0.000 0.474 2419 V N 3.803 123.446 119.914 -0.450 0.000 2.398 2419 V HA 0.413 4.533 4.120 0.000 0.000 0.286 2419 V C -0.271 175.355 176.094 -0.780 0.000 1.026 2419 V CA -0.393 61.677 62.300 -0.384 0.000 0.868 2419 V CB 1.245 32.961 31.823 -0.179 0.000 0.982 2419 V HN 0.365 nan 8.190 nan 0.000 0.443 2420 F N 3.426 123.265 119.950 -0.184 0.000 2.538 2420 F HA 0.662 5.189 4.527 0.000 0.000 0.325 2420 F C -0.262 175.336 175.800 -0.337 0.000 1.066 2420 F CA -0.833 57.059 58.000 -0.179 0.000 0.946 2420 F CB 1.615 40.727 39.000 0.186 0.000 1.199 2420 F HN 0.283 nan 8.300 nan 0.000 0.473 2421 F N 2.739 122.864 119.950 0.291 0.000 2.404 2421 F HA 0.600 5.127 4.527 0.000 0.000 0.354 2421 F C -0.114 175.767 175.800 0.136 0.000 1.122 2421 F CA -0.583 57.504 58.000 0.145 0.000 1.080 2421 F CB 1.134 40.170 39.000 0.060 0.000 1.131 2421 F HN 0.161 nan 8.300 nan 0.000 0.471 2422 M N 2.813 122.562 119.600 0.249 0.000 2.465 2422 M HA 0.553 5.033 4.480 0.000 0.000 0.316 2422 M C -0.918 175.434 176.300 0.086 0.000 1.121 2422 M CA -0.552 54.827 55.300 0.132 0.000 0.934 2422 M CB 2.494 35.154 32.600 0.099 0.000 1.692 2422 M HN 0.444 nan 8.290 nan 0.000 0.444 2423 S N 1.081 116.803 115.700 0.036 0.000 2.526 2423 S HA 0.532 5.002 4.470 0.000 0.000 0.293 2423 S C -0.944 173.654 174.600 -0.004 0.000 1.092 2423 S CA -1.276 56.933 58.200 0.016 0.000 0.980 2423 S CB 1.770 64.970 63.200 0.000 0.000 1.048 2423 S HN 0.529 nan 8.310 nan 0.000 0.483 2424 K N 1.600 122.001 120.400 0.002 0.000 2.368 2424 K HA 0.280 4.600 4.320 0.000 0.000 0.282 2424 K C -0.440 176.149 176.600 -0.019 0.000 1.035 2424 K CA 0.045 56.334 56.287 0.003 0.000 0.973 2424 K CB 0.561 33.066 32.500 0.008 0.000 0.957 2424 K HN 0.619 nan 8.250 nan 0.000 0.474 2425 M N 5.672 125.263 119.600 -0.015 0.000 2.268 2425 M HA 0.302 4.782 4.480 0.000 0.000 0.344 2425 M C -2.293 173.943 176.300 -0.107 0.000 1.106 2425 M CA -2.004 53.262 55.300 -0.056 0.000 1.010 2425 M CB 1.360 33.926 32.600 -0.058 0.000 1.649 2425 M HN 0.298 nan 8.290 nan 0.000 0.443 2426 P HA 0.338 nan 4.420 nan 0.000 0.266 2426 P C -0.621 176.512 177.300 -0.278 0.000 1.215 2426 P CA 0.216 63.199 63.100 -0.194 0.000 0.763 2426 P CB 0.492 32.090 31.700 -0.170 0.000 0.806 2427 G N 3.860 112.428 108.800 -0.387 0.000 2.489 2427 G HA2 0.361 4.321 3.960 0.000 0.000 0.305 2427 G HA3 0.361 4.321 3.960 0.000 0.000 0.305 2427 G C -2.681 171.983 174.900 -0.395 0.000 1.311 2427 G CA -0.774 44.049 45.100 -0.463 0.000 0.813 2427 G HN 0.253 nan 8.290 nan 0.000 0.480 2428 P HA 0.276 nan 4.420 nan 0.000 0.263 2428 P C 0.617 177.963 177.300 0.077 0.000 1.386 2428 P CA 1.204 64.280 63.100 -0.040 0.000 0.797 2428 P CB 0.162 31.922 31.700 0.100 0.000 1.381 2429 G N -0.780 108.061 108.800 0.067 0.000 2.348 2429 G HA2 0.428 4.388 3.960 0.000 0.000 0.296 2429 G HA3 0.428 4.388 3.960 0.000 0.000 0.296 2429 G C -1.605 173.512 174.900 0.361 0.000 1.258 2429 G CA -0.165 45.126 45.100 0.317 0.000 0.868 2429 G HN 0.028 nan 8.290 nan 0.000 0.488 2430 A N 0.177 123.189 122.820 0.320 0.000 2.922 2430 A HA 0.669 4.989 4.320 0.000 0.000 0.298 2430 A C -0.978 176.761 177.584 0.259 0.000 1.588 2430 A CA -0.181 51.987 52.037 0.218 0.000 1.288 2430 A CB -0.821 18.235 19.000 0.095 0.000 1.130 2430 A HN 0.501 nan 8.150 nan 0.000 0.557 2431 Y N 1.037 121.320 120.300 -0.029 0.000 2.419 2431 Y HA 0.551 5.101 4.550 0.000 0.000 0.328 2431 Y C 0.062 175.923 175.900 -0.065 0.000 1.162 2431 Y CA -1.910 56.159 58.100 -0.051 0.000 1.174 2431 Y CB 1.567 39.993 38.460 -0.056 0.000 1.228 2431 Y HN 0.746 nan 8.280 nan 0.000 0.473 2432 N N 1.040 119.765 118.700 0.041 0.000 2.549 2432 N HA 0.299 5.039 4.740 0.000 0.000 0.290 2432 N C -1.885 173.547 175.510 -0.130 0.000 1.122 2432 N CA -0.612 52.424 53.050 -0.023 0.000 0.885 2432 N CB 1.210 39.694 38.487 -0.005 0.000 1.455 2432 N HN 0.478 nan 8.380 nan 0.000 0.521 2433 L N 3.023 124.169 121.223 -0.129 0.000 2.361 2433 L HA 0.555 4.895 4.340 0.000 0.000 0.278 2433 L C -2.467 174.285 176.870 -0.197 0.000 1.113 2433 L CA -1.232 53.475 54.840 -0.220 0.000 0.849 2433 L CB 0.381 42.327 42.059 -0.189 0.000 1.155 2433 L HN 0.530 nan 8.230 nan 0.000 0.452 2434 P HA 0.363 nan 4.420 nan 0.000 0.292 2434 P C -1.405 175.940 177.300 0.074 0.000 1.283 2434 P CA -0.614 62.421 63.100 -0.108 0.000 0.835 2434 P CB 1.460 32.885 31.700 -0.459 0.000 1.017 2435 C N 1.381 120.917 119.300 0.393 0.000 3.236 2435 C HA 0.521 4.981 4.460 0.000 0.000 0.312 2435 C C 1.667 177.045 174.990 0.647 0.000 1.374 2435 C CA -0.779 58.530 59.018 0.485 0.000 1.455 2435 C CB 0.238 28.132 27.740 0.255 0.000 1.834 2435 C HN 0.498 nan 8.230 nan 0.000 0.460 2436 L N 0.182 121.750 121.223 0.575 0.000 2.127 2436 L HA 0.297 4.637 4.340 0.000 0.000 0.203 2436 L C 0.201 177.368 176.870 0.495 0.000 1.080 2436 L CA 1.109 56.182 54.840 0.389 0.000 0.768 2436 L CB -0.265 41.988 42.059 0.324 0.000 0.924 2436 L HN 0.599 nan 8.230 nan 0.000 0.444 2437 L N -1.748 119.759 121.223 0.474 0.000 2.424 2437 L HA 0.469 4.809 4.340 0.000 0.000 0.258 2437 L C -2.654 174.254 176.870 0.064 0.000 0.995 2437 L CA -2.006 53.035 54.840 0.335 0.000 0.821 2437 L CB 1.972 44.193 42.059 0.269 0.000 1.383 2437 L HN -0.349 nan 8.230 nan 0.000 0.410 2438 P HA 0.126 nan 4.420 nan 0.000 0.275 2438 P C -0.175 177.069 177.300 -0.093 0.000 1.228 2438 P CA -0.363 62.533 63.100 -0.339 0.000 0.786 2438 P CB 0.991 32.255 31.700 -0.727 0.000 0.927 2439 Q N 2.591 122.372 119.800 -0.031 0.000 2.077 2439 Q HA -0.264 4.076 4.340 0.000 0.000 0.206 2439 Q C 1.603 177.646 176.000 0.071 0.000 0.989 2439 Q CA 2.082 57.906 55.803 0.034 0.000 0.853 2439 Q CB -0.526 28.228 28.738 0.027 0.000 0.907 2439 Q HN 0.407 nan 8.270 nan 0.000 0.418 2440 E N -0.817 119.421 120.200 0.062 0.000 2.118 2440 E HA -0.218 4.132 4.350 0.000 0.000 0.195 2440 E C 1.922 178.661 176.600 0.233 0.000 0.992 2440 E CA 1.203 57.678 56.400 0.124 0.000 0.804 2440 E CB -0.832 28.934 29.700 0.109 0.000 0.741 2440 E HN 0.448 nan 8.360 nan 0.000 0.458 2441 Y N 1.226 121.519 120.300 -0.011 0.000 2.165 2441 Y HA -0.125 4.425 4.550 0.000 0.000 0.286 2441 Y C 2.510 178.451 175.900 0.070 0.000 1.155 2441 Y CA 0.279 58.380 58.100 0.002 0.000 1.164 2441 Y CB -0.745 37.697 38.460 -0.031 0.000 0.978 2441 Y HN -0.026 nan 8.280 nan 0.000 0.513 2442 I N -0.894 119.818 120.570 0.236 0.000 2.127 2442 I HA -0.372 3.798 4.170 0.000 0.000 0.241 2442 I C 2.338 178.531 176.117 0.127 0.000 1.075 2442 I CA 1.724 63.123 61.300 0.164 0.000 1.334 2442 I CB -0.699 37.380 38.000 0.133 0.000 1.040 2442 I HN 0.054 nan 8.210 nan 0.000 0.405 2443 S N -0.476 115.294 115.700 0.116 0.000 2.374 2443 S HA -0.288 4.182 4.470 0.000 0.000 0.227 2443 S C 1.985 176.632 174.600 0.077 0.000 1.037 2443 S CA 1.498 59.747 58.200 0.082 0.000 1.024 2443 S CB -0.692 62.556 63.200 0.080 0.000 0.861 2443 S HN 0.509 nan 8.310 nan 0.000 0.456 2444 H N 1.669 120.743 119.070 0.007 0.000 2.299 2444 H HA 0.036 4.592 4.556 0.000 0.000 0.302 2444 H C 2.080 177.378 175.328 -0.050 0.000 1.078 2444 H CA 1.506 57.528 56.048 -0.043 0.000 1.323 2444 H CB -0.381 29.319 29.762 -0.102 0.000 1.381 2444 H HN 0.312 nan 8.280 nan 0.000 0.498 2445 L N 0.438 121.716 121.223 0.092 0.000 2.043 2445 L HA -0.205 4.135 4.340 0.000 0.000 0.212 2445 L C 3.137 180.005 176.870 -0.003 0.000 1.075 2445 L CA 1.134 56.006 54.840 0.053 0.000 0.752 2445 L CB -0.717 41.419 42.059 0.130 0.000 0.891 2445 L HN 0.296 nan 8.230 nan 0.000 0.432 2446 A N -0.813 122.013 122.820 0.010 0.000 1.908 2446 A HA -0.248 4.072 4.320 0.000 0.000 0.218 2446 A C 2.560 180.120 177.584 -0.041 0.000 1.181 2446 A CA 2.214 54.251 52.037 -0.000 0.000 0.627 2446 A CB -0.670 18.337 19.000 0.012 0.000 0.818 2446 A HN 0.386 nan 8.150 nan 0.000 0.445 2447 S N -0.225 115.422 115.700 -0.088 0.000 2.338 2447 S HA -0.106 4.364 4.470 0.000 0.000 0.218 2447 S C 0.843 175.361 174.600 -0.137 0.000 1.032 2447 S CA 0.998 59.128 58.200 -0.116 0.000 0.999 2447 S CB -0.318 62.785 63.200 -0.161 0.000 0.905 2447 S HN 0.640 nan 8.310 nan 0.000 0.439 2448 E N 1.972 122.036 120.200 -0.227 0.000 1.932 2448 E HA 0.142 4.492 4.350 0.000 0.000 0.259 2448 E C -0.784 175.765 176.600 -0.084 0.000 1.099 2448 E CA -0.122 56.167 56.400 -0.184 0.000 0.970 2448 E CB 0.493 30.008 29.700 -0.308 0.000 1.143 2448 E HN 0.508 nan 8.360 nan 0.000 0.441 2449 Q N 1.818 121.595 119.800 -0.038 0.000 2.780 2449 Q HA 0.153 4.493 4.340 0.000 0.000 0.234 2449 Q C -0.308 175.710 176.000 0.029 0.000 1.355 2449 Q CA -0.314 55.492 55.803 0.007 0.000 0.919 2449 Q CB 0.324 29.065 28.738 0.006 0.000 1.645 2449 Q HN 0.393 nan 8.270 nan 0.000 0.568 2450 A N 4.020 126.879 122.820 0.064 0.000 2.309 2450 A HA 0.394 4.714 4.320 0.000 0.000 0.290 2450 A C -2.090 175.569 177.584 0.125 0.000 1.206 2450 A CA -1.547 50.555 52.037 0.108 0.000 0.850 2450 A CB 0.121 19.216 19.000 0.158 0.000 1.118 2450 A HN 0.359 nan 8.150 nan 0.000 0.523 2451 P HA 0.078 nan 4.420 nan 0.000 0.265 2451 P C -0.019 177.237 177.300 -0.075 0.000 1.193 2451 P CA 0.371 63.461 63.100 -0.017 0.000 0.765 2451 P CB 0.453 32.122 31.700 -0.052 0.000 0.823 2452 T N -0.008 114.436 114.554 -0.184 0.000 2.743 2452 T HA 0.379 4.729 4.350 0.000 0.000 0.293 2452 T C 0.123 174.355 174.700 -0.780 0.000 0.945 2452 T CA -0.697 61.121 62.100 -0.469 0.000 1.030 2452 T CB 0.246 68.947 68.868 -0.277 0.000 0.912 2452 T HN 0.132 nan 8.240 nan 0.000 0.483 2453 V N 3.572 122.594 119.914 -1.487 0.000 2.350 2453 V HA 0.792 4.912 4.120 0.000 0.000 0.276 2453 V C 0.964 176.346 176.094 -1.187 0.000 1.028 2453 V CA 0.214 61.814 62.300 -1.166 0.000 0.860 2453 V CB 0.113 31.317 31.823 -1.032 0.000 0.990 2453 V HN 1.522 nan 8.190 nan 0.000 0.453 2454 G N 4.171 112.649 108.800 -0.538 0.000 2.619 2454 G HA2 -0.114 3.846 3.960 0.000 0.000 0.686 2454 G HA3 -0.114 3.846 3.960 0.000 0.000 0.686 2454 G C -0.012 174.784 174.900 -0.173 0.000 1.256 2454 G CA -0.121 44.832 45.100 -0.245 0.000 0.826 2454 G HN 0.686 nan 8.290 nan 0.000 0.619 2455 E N 0.036 120.189 120.200 -0.077 0.000 2.347 2455 E HA 0.338 4.688 4.350 0.000 0.000 0.196 2455 E C 1.236 177.743 176.600 -0.155 0.000 1.008 2455 E CA 1.302 57.646 56.400 -0.092 0.000 0.852 2455 E CB 0.103 29.755 29.700 -0.081 0.000 0.783 2455 E HN 1.362 nan 8.360 nan 0.000 0.505 2456 A N 0.064 122.806 122.820 -0.130 0.000 2.586 2456 A HA 0.700 5.020 4.320 0.000 0.000 0.291 2456 A C -1.686 175.864 177.584 -0.057 0.000 1.062 2456 A CA -0.389 51.463 52.037 -0.309 0.000 0.666 2456 A CB 1.208 19.762 19.000 -0.744 0.000 1.281 2456 A HN 0.046 nan 8.150 nan 0.000 0.421 2457 A N 0.520 123.204 122.820 -0.227 0.000 2.287 2457 A HA 0.642 4.962 4.320 0.000 0.000 0.317 2457 A C -0.683 176.785 177.584 -0.193 0.000 1.220 2457 A CA -0.446 51.447 52.037 -0.241 0.000 0.835 2457 A CB 0.533 19.130 19.000 -0.672 0.000 1.180 2457 A HN 1.834 nan 8.150 nan 0.000 0.500 2458 L N 3.819 124.944 121.223 -0.164 0.000 2.319 2458 L HA 0.569 4.909 4.340 0.000 0.000 0.280 2458 L C -0.744 176.081 176.870 -0.075 0.000 1.099 2458 L CA 0.338 55.046 54.840 -0.219 0.000 0.828 2458 L CB 0.110 41.922 42.059 -0.413 0.000 1.150 2458 L HN 0.608 nan 8.230 nan 0.000 0.442 2459 L N 4.984 126.215 121.223 0.013 0.000 2.333 2459 L HA 0.503 4.843 4.340 0.000 0.000 0.269 2459 L C -0.982 176.034 176.870 0.244 0.000 1.010 2459 L CA -0.889 54.064 54.840 0.187 0.000 0.818 2459 L CB 1.864 44.055 42.059 0.220 0.000 1.306 2459 L HN 0.587 nan 8.230 nan 0.000 0.430 2460 H N 0.271 119.550 119.070 0.349 0.000 2.727 2460 H HA 0.283 4.839 4.556 0.000 0.000 0.330 2460 H C -1.324 174.259 175.328 0.426 0.000 0.986 2460 H CA -0.385 55.867 56.048 0.340 0.000 1.251 2460 H CB 1.470 31.320 29.762 0.147 0.000 1.493 2460 H HN 0.377 nan 8.280 nan 0.000 0.515 2461 Y N 4.652 125.232 120.300 0.467 0.000 2.402 2461 Y HA 0.393 4.943 4.550 0.000 0.000 0.333 2461 Y C -0.914 175.048 175.900 0.104 0.000 1.076 2461 Y CA -0.298 57.867 58.100 0.109 0.000 1.299 2461 Y CB 0.248 38.771 38.460 0.106 0.000 1.197 2461 Y HN 0.348 nan 8.280 nan 0.000 0.517 2462 V N 5.434 125.137 119.914 -0.352 0.000 2.876 2462 V HA 0.184 4.304 4.120 0.000 0.000 0.312 2462 V C -1.021 174.834 176.094 -0.399 0.000 1.085 2462 V CA -1.291 60.850 62.300 -0.265 0.000 0.945 2462 V CB 2.148 33.902 31.823 -0.114 0.000 1.017 2462 V HN 0.699 nan 8.190 nan 0.000 0.428 2463 D N 4.833 125.080 120.400 -0.255 0.000 2.325 2463 D HA 0.304 4.944 4.640 0.000 0.000 0.251 2463 D C -1.076 175.135 176.300 -0.148 0.000 1.196 2463 D CA -1.682 52.192 54.000 -0.209 0.000 0.866 2463 D CB 1.770 42.494 40.800 -0.126 0.000 1.101 2463 D HN 0.245 nan 8.370 nan 0.000 0.476 2464 P HA -0.162 nan 4.420 nan 0.000 0.218 2464 P C 0.384 177.641 177.300 -0.072 0.000 1.148 2464 P CA 1.015 64.056 63.100 -0.098 0.000 0.822 2464 P CB 0.452 32.099 31.700 -0.087 0.000 0.784 2465 D N -0.230 120.130 120.400 -0.066 0.000 2.084 2465 D HA -0.106 4.534 4.640 0.000 0.000 0.196 2465 D C 2.157 178.429 176.300 -0.046 0.000 0.985 2465 D CA 2.337 56.308 54.000 -0.049 0.000 0.826 2465 D CB -0.867 39.908 40.800 -0.041 0.000 0.978 2465 D HN 0.303 nan 8.370 nan 0.000 0.456 2466 T N -4.008 110.516 114.554 -0.050 0.000 3.037 2466 T HA 0.305 4.655 4.350 0.000 0.000 0.252 2466 T C 1.688 176.358 174.700 -0.050 0.000 1.073 2466 T CA 0.625 62.699 62.100 -0.043 0.000 1.091 2466 T CB 0.424 69.270 68.868 -0.036 0.000 0.935 2466 T HN 0.221 nan 8.240 nan 0.000 0.488 2467 G N 1.796 110.558 108.800 -0.063 0.000 2.160 2467 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 2467 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 2467 G C -0.002 174.859 174.900 -0.066 0.000 1.022 2467 G CA 0.076 45.135 45.100 -0.069 0.000 0.741 2467 G HN 0.842 nan 8.290 nan 0.000 0.508 2468 R N 0.490 120.955 120.500 -0.058 0.000 2.340 2468 R HA 0.276 4.616 4.340 0.000 0.000 0.300 2468 R C 0.184 176.469 176.300 -0.026 0.000 1.069 2468 R CA -0.633 55.444 56.100 -0.039 0.000 0.984 2468 R CB 0.198 30.483 30.300 -0.025 0.000 1.003 2468 R HN 0.228 nan 8.270 nan 0.000 0.459 2469 N N 5.936 124.634 118.700 -0.003 0.000 2.416 2469 N HA -0.017 4.723 4.740 0.000 0.000 0.265 2469 N C 0.589 176.175 175.510 0.127 0.000 1.195 2469 N CA 0.190 53.286 53.050 0.076 0.000 0.943 2469 N CB 0.896 39.427 38.487 0.073 0.000 1.115 2469 N HN 0.576 nan 8.380 nan 0.000 0.481 2470 L N 0.839 122.160 121.223 0.163 0.000 2.249 2470 L HA 0.230 4.570 4.340 0.000 0.000 0.207 2470 L C 1.356 178.398 176.870 0.287 0.000 1.090 2470 L CA 0.221 55.186 54.840 0.208 0.000 0.802 2470 L CB 0.027 42.218 42.059 0.221 0.000 0.947 2470 L HN 0.474 nan 8.230 nan 0.000 0.453 2471 G N -0.575 108.454 108.800 0.382 0.000 2.623 2471 G HA2 0.410 4.370 3.960 0.000 0.000 0.290 2471 G HA3 0.410 4.370 3.960 0.000 0.000 0.290 2471 G C -1.886 173.100 174.900 0.143 0.000 1.437 2471 G CA -0.388 44.855 45.100 0.238 0.000 0.798 2471 G HN -0.119 nan 8.290 nan 0.000 0.488 2472 E N -0.294 119.735 120.200 -0.285 0.000 2.199 2472 E HA 0.652 5.002 4.350 0.000 0.000 0.265 2472 E C -1.346 174.953 176.600 -0.501 0.000 0.882 2472 E CA -0.519 55.690 56.400 -0.319 0.000 0.759 2472 E CB 1.420 30.944 29.700 -0.292 0.000 1.148 2472 E HN 0.256 nan 8.360 nan 0.000 0.412 2473 F N 1.623 121.576 119.950 0.005 0.000 2.620 2473 F HA 0.523 5.050 4.527 0.000 0.000 0.320 2473 F C -0.218 175.528 175.800 -0.089 0.000 1.069 2473 F CA -0.946 57.051 58.000 -0.005 0.000 0.953 2473 F CB 1.733 40.739 39.000 0.009 0.000 1.322 2473 F HN 0.110 nan 8.300 nan 0.000 0.479 2474 K N 0.984 121.439 120.400 0.092 0.000 2.426 2474 K HA 0.772 5.092 4.320 0.000 0.000 0.254 2474 K C -1.266 175.208 176.600 -0.209 0.000 0.936 2474 K CA -0.744 55.466 56.287 -0.128 0.000 0.801 2474 K CB 2.082 34.466 32.500 -0.193 0.000 1.139 2474 K HN 0.689 nan 8.250 nan 0.000 0.424 2475 A N 3.467 126.093 122.820 -0.322 0.000 2.276 2475 A HA 0.483 4.803 4.320 0.000 0.000 0.316 2475 A C -1.265 176.013 177.584 -0.509 0.000 1.229 2475 A CA -0.385 51.452 52.037 -0.334 0.000 0.851 2475 A CB 0.125 18.965 19.000 -0.266 0.000 1.165 2475 A HN 0.629 nan 8.150 nan 0.000 0.513 2476 Y N 2.901 122.811 120.300 -0.649 0.000 2.376 2476 Y HA 0.357 4.907 4.550 0.000 0.000 0.325 2476 Y C -1.400 174.237 175.900 -0.439 0.000 1.199 2476 Y CA -1.623 56.087 58.100 -0.650 0.000 1.206 2476 Y CB 0.952 38.746 38.460 -1.110 0.000 1.229 2476 Y HN 0.552 nan 8.280 nan 0.000 0.480 2477 P HA -0.231 nan 4.420 nan 0.000 0.219 2477 P C 0.438 177.754 177.300 0.025 0.000 1.158 2477 P CA 2.113 65.186 63.100 -0.046 0.000 0.895 2477 P CB 0.233 31.918 31.700 -0.024 0.000 0.792 2478 D N -1.976 118.485 120.400 0.102 0.000 2.351 2478 D HA 0.129 4.769 4.640 0.000 0.000 0.216 2478 D C 0.883 177.345 176.300 0.270 0.000 0.968 2478 D CA 1.418 55.550 54.000 0.221 0.000 0.899 2478 D CB -0.624 40.392 40.800 0.359 0.000 0.907 2478 D HN 0.200 nan 8.370 nan 0.000 0.514 2479 G N 0.399 109.311 108.800 0.187 0.000 2.871 2479 G HA2 0.004 3.964 3.960 0.000 0.000 0.262 2479 G HA3 0.004 3.964 3.960 0.000 0.000 0.262 2479 G C -0.326 174.786 174.900 0.354 0.000 1.126 2479 G CA -0.309 44.916 45.100 0.208 0.000 1.130 2479 G HN 0.390 nan 8.290 nan 0.000 0.549 2480 F N -1.630 118.358 119.950 0.064 0.000 2.746 2480 F HA 0.755 5.282 4.527 0.000 0.000 0.311 2480 F C -0.870 174.940 175.800 0.015 0.000 1.135 2480 F CA -1.928 56.076 58.000 0.006 0.000 0.954 2480 F CB 0.835 39.790 39.000 -0.075 0.000 1.276 2480 F HN 0.203 nan 8.300 nan 0.000 0.440 2481 L N 1.917 123.174 121.223 0.056 0.000 2.332 2481 L HA 0.931 5.271 4.340 0.000 0.000 0.269 2481 L C -0.126 176.799 176.870 0.091 0.000 1.016 2481 L CA -0.843 53.989 54.840 -0.014 0.000 0.809 2481 L CB 2.308 44.284 42.059 -0.138 0.000 1.280 2481 L HN 0.989 nan 8.230 nan 0.000 0.447 2482 T N -2.104 112.547 114.554 0.162 0.000 2.864 2482 T HA 0.726 5.076 4.350 0.000 0.000 0.299 2482 T C -0.649 174.161 174.700 0.183 0.000 1.166 2482 T CA -0.828 61.374 62.100 0.171 0.000 1.007 2482 T CB 1.873 70.878 68.868 0.229 0.000 1.219 2482 T HN 1.000 nan 8.240 nan 0.000 0.506 2483 C N -0.522 118.840 119.300 0.103 0.000 3.306 2483 C HA 0.815 5.275 4.460 0.000 0.000 0.335 2483 C C -1.314 173.676 174.990 0.000 0.000 1.382 2483 C CA -0.822 58.188 59.018 -0.013 0.000 1.254 2483 C CB 0.666 28.331 27.740 -0.125 0.000 1.555 2483 C HN 0.942 nan 8.230 nan 0.000 0.463 2484 V N 3.447 123.337 119.914 -0.039 0.000 2.311 2484 V HA 0.492 4.612 4.120 0.000 0.000 0.275 2484 V C -1.886 174.199 176.094 -0.016 0.000 1.022 2484 V CA -0.931 61.370 62.300 0.001 0.000 0.830 2484 V CB 1.438 33.271 31.823 0.016 0.000 1.012 2484 V HN 0.858 nan 8.190 nan 0.000 0.452 2485 P HA 0.132 nan 4.420 nan 0.000 0.271 2485 P C 0.272 177.580 177.300 0.012 0.000 1.216 2485 P CA 0.016 63.124 63.100 0.013 0.000 0.776 2485 P CB 1.361 33.078 31.700 0.029 0.000 0.881 2486 N N 2.504 121.211 118.700 0.011 0.000 2.073 2486 N HA -0.059 4.681 4.740 0.000 0.000 0.190 2486 N C 1.055 176.574 175.510 0.016 0.000 1.075 2486 N CA 1.466 54.523 53.050 0.012 0.000 0.866 2486 N CB -0.927 37.568 38.487 0.014 0.000 1.051 2486 N HN 0.554 nan 8.380 nan 0.000 0.437 2487 G N -1.757 107.054 108.800 0.019 0.000 2.531 2487 G HA2 0.533 4.493 3.960 0.000 0.000 0.313 2487 G HA3 0.533 4.493 3.960 0.000 0.000 0.313 2487 G C 0.686 175.598 174.900 0.021 0.000 1.238 2487 G CA 0.241 45.352 45.100 0.018 0.000 0.994 2487 G HN 0.521 nan 8.290 nan 0.000 0.493 2488 A N -0.404 122.427 122.820 0.018 0.000 1.972 2488 A HA -0.026 4.294 4.320 0.000 0.000 0.219 2488 A C 2.560 180.157 177.584 0.022 0.000 1.169 2488 A CA 2.516 54.564 52.037 0.018 0.000 0.635 2488 A CB -0.632 18.376 19.000 0.013 0.000 0.810 2488 A HN 1.054 nan 8.150 nan 0.000 0.446 2489 S N -0.951 114.763 115.700 0.024 0.000 2.414 2489 S HA 0.060 4.530 4.470 0.000 0.000 0.227 2489 S C 1.288 175.909 174.600 0.035 0.000 1.022 2489 S CA 0.648 58.865 58.200 0.028 0.000 0.958 2489 S CB -0.526 62.689 63.200 0.025 0.000 0.797 2489 S HN 0.454 nan 8.310 nan 0.000 0.493 2490 S N 0.339 116.060 115.700 0.034 0.000 2.645 2490 S HA 0.666 5.136 4.470 0.000 0.000 0.266 2490 S C 0.296 174.925 174.600 0.048 0.000 1.258 2490 S CA 0.275 58.499 58.200 0.040 0.000 0.990 2490 S CB 0.674 63.894 63.200 0.033 0.000 0.967 2490 S HN 1.123 nan 8.310 nan 0.000 0.556 2491 G N 0.893 109.727 108.800 0.057 0.000 2.359 2491 G HA2 0.201 4.161 3.960 0.000 0.000 0.293 2491 G HA3 0.201 4.161 3.960 0.000 0.000 0.293 2491 G C -2.849 172.108 174.900 0.095 0.000 1.300 2491 G CA -0.213 44.929 45.100 0.071 0.000 0.888 2491 G HN 0.400 nan 8.290 nan 0.000 0.541 2492 P HA -0.053 nan 4.420 nan 0.000 0.230 2492 P C 1.062 178.437 177.300 0.125 0.000 1.158 2492 P CA 1.075 64.273 63.100 0.163 0.000 0.769 2492 P CB 0.184 32.019 31.700 0.224 0.000 0.807 2493 Q N 0.124 119.992 119.800 0.113 0.000 2.291 2493 Q HA -0.083 4.257 4.340 0.000 0.000 0.205 2493 Q C 2.032 178.088 176.000 0.093 0.000 0.970 2493 Q CA 1.124 56.989 55.803 0.103 0.000 0.876 2493 Q CB -0.779 28.018 28.738 0.098 0.000 0.935 2493 Q HN 0.451 nan 8.270 nan 0.000 0.455 2494 Q N -0.032 119.824 119.800 0.093 0.000 2.444 2494 Q HA 0.126 4.466 4.340 0.000 0.000 0.206 2494 Q C -0.302 175.758 176.000 0.101 0.000 0.948 2494 Q CA 0.145 55.999 55.803 0.086 0.000 0.946 2494 Q CB 0.204 28.987 28.738 0.075 0.000 1.027 2494 Q HN 0.358 nan 8.270 nan 0.000 0.513 2495 L N 2.223 123.520 121.223 0.123 0.000 2.334 2495 L HA 0.444 4.784 4.340 0.000 0.000 0.275 2495 L C -1.996 174.970 176.870 0.160 0.000 1.036 2495 L CA -2.306 52.631 54.840 0.162 0.000 0.807 2495 L CB 0.626 42.815 42.059 0.215 0.000 1.231 2495 L HN -0.080 nan 8.230 nan 0.000 0.438 2496 P HA 0.110 nan 4.420 nan 0.000 0.272 2496 P C -0.136 177.279 177.300 0.192 0.000 1.230 2496 P CA -0.316 62.867 63.100 0.138 0.000 0.788 2496 P CB 1.257 33.014 31.700 0.094 0.000 0.949 2497 I N 1.279 121.930 120.570 0.135 0.000 3.864 2497 I HA 0.077 4.247 4.170 0.000 0.000 0.326 2497 I C 1.055 177.230 176.117 0.098 0.000 1.444 2497 I CA 0.038 61.426 61.300 0.147 0.000 1.195 2497 I CB -1.687 36.371 38.000 0.096 0.000 1.124 2497 I HN 0.253 nan 8.210 nan 0.000 0.407 2498 N N 1.440 120.173 118.700 0.054 0.000 2.405 2498 N HA 0.030 4.770 4.740 0.000 0.000 0.175 2498 N C 1.348 176.790 175.510 -0.112 0.000 1.051 2498 N CA 0.239 53.275 53.050 -0.022 0.000 0.899 2498 N CB 0.414 38.880 38.487 -0.036 0.000 1.000 2498 N HN 0.357 nan 8.380 nan 0.000 0.451 2499 G N 0.643 109.298 108.800 -0.241 0.000 2.699 2499 G HA2 0.358 4.318 3.960 0.000 0.000 0.246 2499 G HA3 0.358 4.318 3.960 0.000 0.000 0.246 2499 G C -0.217 174.402 174.900 -0.469 0.000 1.219 2499 G CA -0.077 44.579 45.100 -0.739 0.000 0.866 2499 G HN -0.032 nan 8.290 nan 0.000 0.572 2500 V N -0.247 119.361 119.914 -0.510 0.000 2.962 2500 V HA 0.464 4.584 4.120 0.000 0.000 0.313 2500 V C -0.797 175.220 176.094 -0.129 0.000 1.099 2500 V CA -0.812 61.388 62.300 -0.167 0.000 0.971 2500 V CB 2.043 33.820 31.823 -0.078 0.000 1.028 2500 V HN 0.599 nan 8.190 nan 0.000 0.430 2501 F N 1.704 121.791 119.950 0.228 0.000 2.411 2501 F HA 0.600 5.127 4.527 0.000 0.000 0.350 2501 F C 0.096 175.973 175.800 0.129 0.000 1.114 2501 F CA -0.462 57.685 58.000 0.244 0.000 1.135 2501 F CB 1.699 40.861 39.000 0.269 0.000 1.120 2501 F HN 0.160 nan 8.300 nan 0.000 0.495 2502 V N 5.131 125.261 119.914 0.360 0.000 2.448 2502 V HA 0.199 4.319 4.120 0.000 0.000 0.295 2502 V C -0.451 175.793 176.094 0.250 0.000 1.025 2502 V CA -1.014 61.417 62.300 0.217 0.000 0.859 2502 V CB 1.512 33.409 31.823 0.125 0.000 0.988 2502 V HN 0.484 nan 8.190 nan 0.000 0.431 2503 F N 5.234 125.206 119.950 0.036 0.000 2.504 2503 F HA 0.376 4.903 4.527 0.000 0.000 0.369 2503 F C 0.758 176.525 175.800 -0.054 0.000 1.082 2503 F CA 0.167 58.151 58.000 -0.027 0.000 1.216 2503 F CB 1.057 40.031 39.000 -0.043 0.000 1.108 2503 F HN 0.285 nan 8.300 nan 0.000 0.554 2504 V N 3.181 122.713 119.914 -0.637 0.000 2.602 2504 V HA 0.210 4.330 4.120 0.000 0.000 0.235 2504 V C 0.464 175.961 176.094 -0.995 0.000 1.087 2504 V CA 1.020 62.965 62.300 -0.592 0.000 1.117 2504 V CB -0.244 31.467 31.823 -0.186 0.000 0.820 2504 V HN 0.868 nan 8.190 nan 0.000 0.490 2505 S N -2.388 112.689 115.700 -1.038 0.000 2.567 2505 S HA 0.443 4.913 4.470 0.000 0.000 0.270 2505 S C -1.888 172.524 174.600 -0.313 0.000 1.152 2505 S CA -0.960 56.800 58.200 -0.734 0.000 0.835 2505 S CB 0.497 63.504 63.200 -0.321 0.000 1.115 2505 S HN 0.237 nan 8.310 nan 0.000 0.459 2506 W N 1.568 122.915 121.300 0.079 0.000 2.202 2506 W HA 0.569 5.229 4.660 0.000 0.000 0.332 2506 W C 0.427 176.930 176.519 -0.027 0.000 1.263 2506 W CA -0.019 57.387 57.345 0.102 0.000 1.223 2506 W CB 1.328 30.857 29.460 0.115 0.000 1.128 2506 W HN 0.741 nan 8.180 nan 0.000 0.573 2507 V N -0.562 119.467 119.914 0.191 0.000 3.167 2507 V HA 0.636 4.756 4.120 0.000 0.000 0.310 2507 V C -0.261 175.903 176.094 0.116 0.000 1.207 2507 V CA -1.259 61.102 62.300 0.101 0.000 1.059 2507 V CB 1.138 32.878 31.823 -0.137 0.000 1.079 2507 V HN 0.440 nan 8.190 nan 0.000 0.446 2508 S N -0.475 115.340 115.700 0.192 0.000 2.632 2508 S HA 0.341 4.811 4.470 0.000 0.000 0.267 2508 S C 1.133 175.743 174.600 0.017 0.000 1.276 2508 S CA 0.173 58.452 58.200 0.132 0.000 0.998 2508 S CB 0.982 64.327 63.200 0.241 0.000 0.953 2508 S HN 0.947 nan 8.310 nan 0.000 0.547 2509 R N 1.181 121.577 120.500 -0.174 0.000 2.103 2509 R HA -0.124 4.216 4.340 0.000 0.000 0.242 2509 R C 0.905 176.965 176.300 -0.401 0.000 1.142 2509 R CA 2.020 57.889 56.100 -0.385 0.000 0.960 2509 R CB -0.398 29.438 30.300 -0.773 0.000 0.858 2509 R HN 0.761 nan 8.270 nan 0.000 0.439 2510 F N -0.782 119.238 119.950 0.116 0.000 2.693 2510 F HA 0.100 4.627 4.527 0.000 0.000 0.303 2510 F C 0.216 176.201 175.800 0.308 0.000 1.143 2510 F CA -0.715 57.360 58.000 0.126 0.000 1.389 2510 F CB -0.265 38.840 39.000 0.175 0.000 1.060 2510 F HN -0.007 nan 8.300 nan 0.000 0.535 2511 Y N 2.889 123.340 120.300 0.251 0.000 2.632 2511 Y HA 0.015 4.565 4.550 0.000 0.000 0.329 2511 Y C 0.639 176.679 175.900 0.234 0.000 1.174 2511 Y CA -0.401 57.837 58.100 0.230 0.000 1.469 2511 Y CB 0.222 38.759 38.460 0.128 0.000 1.242 2511 Y HN 0.112 nan 8.280 nan 0.000 0.540 2512 Q N 6.724 126.511 119.800 -0.022 0.000 2.296 2512 Q HA 0.372 4.712 4.340 0.000 0.000 0.257 2512 Q C -1.217 174.762 176.000 -0.035 0.000 0.942 2512 Q CA -0.573 55.276 55.803 0.076 0.000 0.939 2512 Q CB 0.612 29.376 28.738 0.043 0.000 1.198 2512 Q HN 0.785 nan 8.270 nan 0.000 0.429 2513 L N 3.244 124.530 121.223 0.106 0.000 2.439 2513 L HA 0.346 4.686 4.340 0.000 0.000 0.261 2513 L C 0.103 176.975 176.870 0.004 0.000 1.153 2513 L CA -0.498 54.389 54.840 0.078 0.000 0.808 2513 L CB 0.727 42.817 42.059 0.051 0.000 1.126 2513 L HN 0.537 nan 8.230 nan 0.000 0.460 2514 K N 2.654 123.042 120.400 -0.019 0.000 2.234 2514 K HA 0.269 4.589 4.320 0.000 0.000 0.282 2514 K C -2.240 174.330 176.600 -0.050 0.000 1.039 2514 K CA -1.662 54.606 56.287 -0.032 0.000 0.928 2514 K CB 0.488 32.975 32.500 -0.021 0.000 1.039 2514 K HN 0.322 nan 8.250 nan 0.000 0.470 2515 P HA -0.084 nan 4.420 nan 0.000 0.264 2515 P C -0.426 176.845 177.300 -0.047 0.000 1.179 2515 P CA 0.002 63.081 63.100 -0.034 0.000 0.763 2515 P CB 0.481 32.175 31.700 -0.010 0.000 0.806 2516 V N 2.152 122.028 119.914 -0.064 0.000 2.617 2516 V HA 0.706 4.826 4.120 0.000 0.000 0.298 2516 V C 0.991 177.087 176.094 0.004 0.000 1.048 2516 V CA 0.593 62.859 62.300 -0.057 0.000 0.964 2516 V CB 0.420 32.167 31.823 -0.127 0.000 1.004 2516 V HN 1.152 nan 8.190 nan 0.000 0.466 2517 G N 3.418 112.237 108.800 0.032 0.000 2.698 2517 G HA2 0.003 3.963 3.960 0.000 0.000 0.225 2517 G HA3 0.003 3.963 3.960 0.000 0.000 0.225 2517 G C -0.235 174.687 174.900 0.037 0.000 1.345 2517 G CA -0.339 44.790 45.100 0.047 0.000 0.871 2517 G HN 1.567 nan 8.290 nan 0.000 0.540 2518 T N -2.117 112.460 114.554 0.038 0.000 2.809 2518 T HA 0.880 5.230 4.350 0.000 0.000 0.284 2518 T C 0.101 174.818 174.700 0.027 0.000 0.992 2518 T CA 0.686 62.804 62.100 0.031 0.000 0.957 2518 T CB 1.670 70.557 68.868 0.032 0.000 0.942 2518 T HN 2.260 nan 8.240 nan 0.000 0.439 2519 A N 3.227 126.060 122.820 0.022 0.000 2.306 2519 A HA 0.901 5.221 4.320 0.000 0.000 0.314 2519 A C 0.390 177.984 177.584 0.017 0.000 1.164 2519 A CA -0.622 51.427 52.037 0.020 0.000 0.822 2519 A CB 0.647 19.657 19.000 0.017 0.000 1.130 2519 A HN 1.486 nan 8.150 nan 0.000 0.496 2520 S N 0.000 115.710 115.700 0.017 0.000 2.498 2520 S HA 0.000 4.470 4.470 0.000 0.000 0.327 2520 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2520 S CB 0.000 63.210 63.200 0.016 0.000 0.593 2520 S HN 0.000 nan 8.310 nan 0.000 0.517