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 2pga_1_C DATA FIRST_RESID 2003 DATA SEQUENCE KSDVFHLGLT KNDLQGAQLA IVPGDPERVE KIAALMDKPV KLASHREFTS DATA SEQUENCE WRAELDGKAV IVCSTGIGGP STSIAVEELA QLGIRTFLRI GTTGAIQPHI DATA SEQUENCE NVGDVLVTTA SVRLDGASLH FAPMEFPAVA DFACTTALVE AAKSIGATTH DATA SEQUENCE VGVTASSDTF YPGQERYDTY SGRVVRRFKG SMEEWQAMGV MNYEMESATL DATA SEQUENCE LTMCASQGLR AGMVAGVIVN RTQXXXXXXX XMKQTESHAV KIVVEAARRL DATA SEQUENCE L 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 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.587 176.600 -0.022 0.000 0.988 2003 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 2003 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 2004 S N 0.868 116.544 115.700 -0.039 0.000 2.558 2004 S HA 0.002 4.472 4.470 -0.000 0.000 0.288 2004 S C 0.581 175.167 174.600 -0.024 0.000 1.318 2004 S CA 0.247 58.420 58.200 -0.044 0.000 1.056 2004 S CB 0.586 63.727 63.200 -0.097 0.000 0.853 2004 S HN 0.213 nan 8.310 nan 0.000 0.505 2005 D N 1.640 122.034 120.400 -0.010 0.000 2.348 2005 D HA 0.103 4.743 4.640 -0.000 0.000 0.211 2005 D C 0.571 176.884 176.300 0.021 0.000 0.998 2005 D CA 0.615 54.619 54.000 0.007 0.000 0.873 2005 D CB 0.139 40.944 40.800 0.010 0.000 0.925 2005 D HN 0.430 nan 8.370 nan 0.000 0.524 2006 V N -2.635 117.288 119.914 0.014 0.000 3.001 2006 V HA 0.391 4.511 4.120 -0.000 0.000 0.314 2006 V C 0.717 176.839 176.094 0.046 0.000 1.099 2006 V CA -1.022 61.307 62.300 0.050 0.000 0.989 2006 V CB 1.735 33.584 31.823 0.042 0.000 1.040 2006 V HN -0.160 nan 8.190 nan 0.000 0.434 2007 F N 0.840 120.754 119.950 -0.060 0.000 2.259 2007 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 2007 F C 1.778 177.376 175.800 -0.337 0.000 1.088 2007 F CA 2.230 60.115 58.000 -0.192 0.000 1.358 2007 F CB 0.025 38.890 39.000 -0.226 0.000 1.040 2007 F HN 0.832 nan 8.300 nan 0.000 0.505 2008 H N -1.654 117.361 119.070 -0.092 0.000 2.594 2008 H HA 0.271 4.826 4.556 -0.000 0.000 0.274 2008 H C 1.919 177.157 175.328 -0.150 0.000 0.982 2008 H CA 0.725 56.685 56.048 -0.147 0.000 1.228 2008 H CB -0.096 29.624 29.762 -0.070 0.000 1.447 2008 H HN 0.095 nan 8.280 nan 0.000 0.485 2009 L N 0.063 121.257 121.223 -0.047 0.000 2.478 2009 L HA 0.149 4.489 4.340 -0.000 0.000 0.223 2009 L C 0.984 177.869 176.870 0.025 0.000 1.140 2009 L CA 0.581 55.419 54.840 -0.002 0.000 0.842 2009 L CB -0.267 41.768 42.059 -0.040 0.000 0.953 2009 L HN 0.514 nan 8.230 nan 0.000 0.452 2010 G N 1.525 110.229 108.800 -0.161 0.000 2.323 2010 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 2010 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 2010 G C -0.158 174.739 174.900 -0.005 0.000 1.040 2010 G CA 0.242 45.230 45.100 -0.186 0.000 0.942 2010 G HN 0.272 nan 8.290 nan 0.000 0.506 2011 L N -0.336 120.882 121.223 -0.007 0.000 2.341 2011 L HA 0.839 5.179 4.340 -0.000 0.000 0.267 2011 L C 0.761 177.631 176.870 -0.000 0.000 1.009 2011 L CA -0.597 54.249 54.840 0.012 0.000 0.819 2011 L CB 2.414 44.489 42.059 0.025 0.000 1.323 2011 L HN 0.360 nan 8.230 nan 0.000 0.425 2012 T N -3.141 111.414 114.554 0.002 0.000 2.950 2012 T HA 0.313 4.663 4.350 -0.000 0.000 0.288 2012 T C 0.636 175.338 174.700 0.003 0.000 1.035 2012 T CA -0.793 61.307 62.100 0.001 0.000 1.028 2012 T CB 2.097 70.963 68.868 -0.003 0.000 1.109 2012 T HN 0.615 nan 8.240 nan 0.000 0.514 2013 K N 0.513 120.915 120.400 0.004 0.000 2.103 2013 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 2013 K C 2.123 178.723 176.600 -0.000 0.000 1.048 2013 K CA 1.806 58.095 56.287 0.004 0.000 0.930 2013 K CB -0.350 32.153 32.500 0.005 0.000 0.716 2013 K HN 0.683 nan 8.250 nan 0.000 0.444 2014 N N 1.193 119.892 118.700 -0.002 0.000 2.149 2014 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 2014 N C 1.141 176.647 175.510 -0.006 0.000 1.019 2014 N CA 1.875 54.922 53.050 -0.004 0.000 0.857 2014 N CB -0.167 38.316 38.487 -0.006 0.000 0.997 2014 N HN 0.187 nan 8.380 nan 0.000 0.426 2015 D N -0.343 120.053 120.400 -0.006 0.000 2.190 2015 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 2015 D C 1.587 177.883 176.300 -0.006 0.000 0.992 2015 D CA 0.749 54.744 54.000 -0.009 0.000 0.854 2015 D CB -0.136 40.661 40.800 -0.006 0.000 0.936 2015 D HN 0.298 nan 8.370 nan 0.000 0.462 2016 L N 0.472 121.693 121.223 -0.002 0.000 2.395 2016 L HA -0.016 4.324 4.340 -0.000 0.000 0.218 2016 L C 0.774 177.641 176.870 -0.005 0.000 1.130 2016 L CA 0.584 55.422 54.840 -0.003 0.000 0.826 2016 L CB -0.269 41.786 42.059 -0.006 0.000 0.941 2016 L HN -0.034 nan 8.230 nan 0.000 0.451 2017 Q N -0.158 119.638 119.800 -0.006 0.000 2.453 2017 Q HA -0.269 4.071 4.340 -0.000 0.000 0.294 2017 Q C 1.216 177.212 176.000 -0.007 0.000 1.295 2017 Q CA 0.898 56.698 55.803 -0.006 0.000 0.853 2017 Q CB -2.286 26.450 28.738 -0.005 0.000 1.193 2017 Q HN 0.670 nan 8.270 nan 0.000 0.461 2018 G N -1.807 106.987 108.800 -0.009 0.000 2.179 2018 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 2018 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 2018 G C 0.369 175.258 174.900 -0.019 0.000 0.977 2018 G CA 0.452 45.545 45.100 -0.012 0.000 0.641 2018 G HN 1.256 nan 8.290 nan 0.000 0.533 2019 A N -0.346 122.461 122.820 -0.022 0.000 2.540 2019 A HA 0.553 4.873 4.320 -0.000 0.000 0.239 2019 A C 1.073 178.623 177.584 -0.056 0.000 1.061 2019 A CA 1.373 53.390 52.037 -0.034 0.000 0.758 2019 A CB 0.212 19.193 19.000 -0.030 0.000 0.991 2019 A HN 0.581 nan 8.150 nan 0.000 0.502 2020 Q N 0.790 120.547 119.800 -0.072 0.000 2.164 2020 Q HA 0.317 4.657 4.340 -0.000 0.000 0.226 2020 Q C -0.526 175.375 176.000 -0.165 0.000 0.813 2020 Q CA -0.003 55.741 55.803 -0.099 0.000 0.978 2020 Q CB 0.740 29.439 28.738 -0.065 0.000 1.149 2020 Q HN 0.725 nan 8.270 nan 0.000 0.489 2021 L N 0.635 121.764 121.223 -0.156 0.000 2.386 2021 L HA 0.806 5.146 4.340 -0.000 0.000 0.271 2021 L C -1.722 175.032 176.870 -0.195 0.000 0.993 2021 L CA -0.661 54.061 54.840 -0.198 0.000 0.819 2021 L CB 1.700 43.690 42.059 -0.116 0.000 1.294 2021 L HN -0.088 nan 8.230 nan 0.000 0.414 2022 A N 5.750 128.403 122.820 -0.278 0.000 2.356 2022 A HA 0.698 5.018 4.320 -0.000 0.000 0.310 2022 A C -0.931 176.621 177.584 -0.052 0.000 1.075 2022 A CA -0.548 51.398 52.037 -0.152 0.000 0.746 2022 A CB 1.035 19.934 19.000 -0.168 0.000 1.221 2022 A HN 0.680 nan 8.150 nan 0.000 0.443 2023 I N 2.507 123.080 120.570 0.004 0.000 2.342 2023 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 2023 I C -0.143 176.017 176.117 0.072 0.000 1.010 2023 I CA -0.499 60.822 61.300 0.035 0.000 1.308 2023 I CB 1.716 39.727 38.000 0.018 0.000 1.400 2023 I HN 0.459 nan 8.210 nan 0.000 0.488 2024 V N 5.632 125.603 119.914 0.096 0.000 2.320 2024 V HA 0.480 4.600 4.120 -0.000 0.000 0.268 2024 V C -2.508 173.634 176.094 0.080 0.000 1.021 2024 V CA -1.859 60.510 62.300 0.115 0.000 0.813 2024 V CB 0.341 32.268 31.823 0.174 0.000 1.054 2024 V HN 0.465 nan 8.190 nan 0.000 0.444 2025 P HA 0.274 nan 4.420 nan 0.000 0.274 2025 P C 0.992 178.318 177.300 0.044 0.000 1.256 2025 P CA 0.361 63.484 63.100 0.037 0.000 0.795 2025 P CB 1.697 33.407 31.700 0.017 0.000 1.038 2026 G N -0.262 108.553 108.800 0.026 0.000 2.411 2026 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.213 2026 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.213 2026 G C 0.305 175.207 174.900 0.004 0.000 1.166 2026 G CA 0.461 45.572 45.100 0.019 0.000 0.802 2026 G HN 0.502 nan 8.290 nan 0.000 0.533 2027 D N 0.147 120.545 120.400 -0.005 0.000 2.280 2027 D HA 0.310 4.950 4.640 -0.000 0.000 0.243 2027 D C -1.460 174.834 176.300 -0.010 0.000 1.129 2027 D CA -2.397 51.592 54.000 -0.019 0.000 0.848 2027 D CB 2.053 42.838 40.800 -0.026 0.000 1.107 2027 D HN -0.091 nan 8.370 nan 0.000 0.471 2028 P HA -0.125 nan 4.420 nan 0.000 0.217 2028 P C 0.829 178.129 177.300 0.000 0.000 1.148 2028 P CA 0.945 64.053 63.100 0.015 0.000 0.828 2028 P CB 0.330 32.034 31.700 0.007 0.000 0.783 2029 E N -0.883 119.305 120.200 -0.019 0.000 2.409 2029 E HA -0.099 4.251 4.350 -0.000 0.000 0.198 2029 E C 1.547 178.110 176.600 -0.062 0.000 1.024 2029 E CA 0.629 57.010 56.400 -0.033 0.000 0.861 2029 E CB -0.062 29.619 29.700 -0.031 0.000 0.788 2029 E HN 0.272 nan 8.360 nan 0.000 0.521 2030 R N 0.016 120.480 120.500 -0.061 0.000 2.334 2030 R HA 0.099 4.439 4.340 -0.000 0.000 0.212 2030 R C 2.086 178.313 176.300 -0.123 0.000 0.897 2030 R CA 0.091 56.143 56.100 -0.080 0.000 1.056 2030 R CB 0.031 30.301 30.300 -0.050 0.000 1.046 2030 R HN 0.026 nan 8.270 nan 0.000 0.513 2031 V N 1.272 121.107 119.914 -0.132 0.000 2.307 2031 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 2031 V C 2.444 178.266 176.094 -0.452 0.000 1.045 2031 V CA 1.987 64.181 62.300 -0.176 0.000 1.024 2031 V CB -0.328 31.469 31.823 -0.043 0.000 0.651 2031 V HN 0.349 nan 8.190 nan 0.000 0.449 2032 E N 0.207 119.979 120.200 -0.713 0.000 2.077 2032 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 2032 E C 2.261 178.480 176.600 -0.635 0.000 0.989 2032 E CA 1.305 56.987 56.400 -1.196 0.000 0.800 2032 E CB -0.052 28.975 29.700 -1.123 0.000 0.746 2032 E HN 0.542 nan 8.360 nan 0.000 0.452 2033 K N 0.188 120.368 120.400 -0.367 0.000 2.063 2033 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 2033 K C 2.183 178.675 176.600 -0.179 0.000 1.048 2033 K CA 1.563 57.717 56.287 -0.222 0.000 0.928 2033 K CB -0.118 32.295 32.500 -0.144 0.000 0.713 2033 K HN 0.241 nan 8.250 nan 0.000 0.442 2034 I N 0.667 121.134 120.570 -0.173 0.000 2.163 2034 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 2034 I C 2.460 178.507 176.117 -0.117 0.000 1.081 2034 I CA 1.135 62.367 61.300 -0.114 0.000 1.353 2034 I CB -0.418 37.533 38.000 -0.081 0.000 1.054 2034 I HN 0.121 nan 8.210 nan 0.000 0.407 2035 A N 0.794 123.511 122.820 -0.171 0.000 2.024 2035 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 2035 A C 2.431 179.964 177.584 -0.085 0.000 1.164 2035 A CA 1.800 53.778 52.037 -0.100 0.000 0.643 2035 A CB -0.776 18.176 19.000 -0.080 0.000 0.806 2035 A HN 0.467 nan 8.150 nan 0.000 0.451 2036 A N -0.527 122.196 122.820 -0.161 0.000 2.172 2036 A HA 0.141 4.461 4.320 -0.000 0.000 0.216 2036 A C 1.861 179.414 177.584 -0.052 0.000 1.154 2036 A CA 0.983 52.959 52.037 -0.102 0.000 0.701 2036 A CB -0.458 18.457 19.000 -0.142 0.000 0.789 2036 A HN 0.492 nan 8.150 nan 0.000 0.465 2037 L N -1.420 119.772 121.223 -0.052 0.000 2.478 2037 L HA 0.105 4.445 4.340 -0.000 0.000 0.223 2037 L C 1.038 177.899 176.870 -0.016 0.000 1.140 2037 L CA 0.183 55.004 54.840 -0.031 0.000 0.842 2037 L CB -0.404 41.635 42.059 -0.033 0.000 0.953 2037 L HN 0.426 nan 8.230 nan 0.000 0.452 2038 M N -1.428 118.168 119.600 -0.007 0.000 2.849 2038 M HA 0.299 4.779 4.480 -0.000 0.000 0.299 2038 M C -0.619 175.694 176.300 0.022 0.000 1.223 2038 M CA -0.853 54.452 55.300 0.008 0.000 0.856 2038 M CB 1.277 33.885 32.600 0.013 0.000 1.680 2038 M HN -0.187 nan 8.290 nan 0.000 0.506 2039 D N 1.061 121.476 120.400 0.025 0.000 2.313 2039 D HA 0.164 4.804 4.640 -0.000 0.000 0.247 2039 D C -0.466 175.862 176.300 0.048 0.000 1.094 2039 D CA 0.025 54.043 54.000 0.030 0.000 0.925 2039 D CB 0.629 41.441 40.800 0.020 0.000 1.188 2039 D HN 0.421 nan 8.370 nan 0.000 0.430 2040 K N -0.155 120.275 120.400 0.051 0.000 3.490 2040 K HA -0.140 4.180 4.320 -0.000 0.000 0.273 2040 K C -2.298 174.362 176.600 0.099 0.000 0.916 2040 K CA 0.105 56.429 56.287 0.061 0.000 0.718 2040 K CB -1.256 31.267 32.500 0.039 0.000 1.477 2040 K HN 0.368 nan 8.250 nan 0.000 0.452 2041 P HA 0.154 nan 4.420 nan 0.000 0.276 2041 P C -0.471 177.022 177.300 0.322 0.000 1.235 2041 P CA -0.182 63.100 63.100 0.304 0.000 0.772 2041 P CB 1.641 33.542 31.700 0.335 0.000 0.871 2042 V N 3.471 123.495 119.914 0.182 0.000 2.841 2042 V HA 0.340 4.460 4.120 -0.000 0.000 0.310 2042 V C -0.403 175.211 176.094 -0.800 0.000 1.090 2042 V CA -1.173 60.970 62.300 -0.262 0.000 0.930 2042 V CB 2.362 34.090 31.823 -0.157 0.000 1.014 2042 V HN 0.463 nan 8.190 nan 0.000 0.425 2043 K N 4.618 124.156 120.400 -1.437 0.000 2.322 2043 K HA 0.359 4.679 4.320 -0.000 0.000 0.283 2043 K C 0.317 176.537 176.600 -0.633 0.000 1.042 2043 K CA -0.269 55.093 56.287 -1.543 0.000 0.958 2043 K CB 1.014 32.772 32.500 -1.237 0.000 0.984 2043 K HN 0.773 nan 8.250 nan 0.000 0.473 2044 L N 2.492 123.468 121.223 -0.411 0.000 2.185 2044 L HA 0.272 4.612 4.340 -0.000 0.000 0.198 2044 L C 0.632 177.439 176.870 -0.106 0.000 1.079 2044 L CA 0.274 55.010 54.840 -0.173 0.000 0.780 2044 L CB 0.112 42.133 42.059 -0.062 0.000 0.955 2044 L HN 0.730 nan 8.230 nan 0.000 0.462 2045 A N -1.188 121.594 122.820 -0.063 0.000 2.566 2045 A HA 0.603 4.923 4.320 -0.000 0.000 0.290 2045 A C -1.236 176.340 177.584 -0.013 0.000 1.071 2045 A CA -0.272 51.760 52.037 -0.008 0.000 0.658 2045 A CB 1.631 20.723 19.000 0.154 0.000 1.285 2045 A HN -0.120 nan 8.150 nan 0.000 0.427 2046 S N 0.508 116.091 115.700 -0.194 0.000 2.706 2046 S HA 0.647 5.117 4.470 -0.000 0.000 0.270 2046 S C -1.731 172.590 174.600 -0.466 0.000 1.163 2046 S CA -0.465 57.634 58.200 -0.168 0.000 1.042 2046 S CB 0.314 63.448 63.200 -0.110 0.000 1.079 2046 S HN 0.746 nan 8.310 nan 0.000 0.474 2047 H N 3.986 123.126 119.070 0.116 0.000 2.856 2047 H HA 0.518 5.074 4.556 -0.000 0.000 0.355 2047 H C 0.431 175.830 175.328 0.120 0.000 1.079 2047 H CA -0.745 55.370 56.048 0.111 0.000 1.240 2047 H CB 1.355 31.194 29.762 0.129 0.000 1.701 2047 H HN 0.637 nan 8.280 nan 0.000 0.527 2048 R N 0.961 121.538 120.500 0.129 0.000 3.750 2048 R HA -0.224 4.116 4.340 -0.000 0.000 0.495 2048 R C 0.980 177.168 176.300 -0.187 0.000 0.241 2048 R CA 1.673 57.752 56.100 -0.035 0.000 1.551 2048 R CB -1.010 29.263 30.300 -0.045 0.000 0.956 2048 R HN 0.854 nan 8.270 nan 0.000 0.584 2049 E N 2.072 121.958 120.200 -0.525 0.000 2.437 2049 E HA 0.097 4.447 4.350 -0.000 0.000 0.189 2049 E C 0.093 176.427 176.600 -0.444 0.000 1.054 2049 E CA 0.318 56.429 56.400 -0.482 0.000 0.874 2049 E CB -0.148 29.260 29.700 -0.487 0.000 1.011 2049 E HN 0.417 nan 8.360 nan 0.000 0.474 2050 F N 1.557 121.557 119.950 0.084 0.000 2.300 2050 F HA 0.291 4.818 4.527 -0.000 0.000 0.364 2050 F C 0.208 176.073 175.800 0.108 0.000 1.090 2050 F CA -0.738 57.322 58.000 0.101 0.000 1.200 2050 F CB 1.251 40.326 39.000 0.125 0.000 1.493 2050 F HN -0.315 nan 8.300 nan 0.000 0.518 2051 T N 1.891 116.581 114.554 0.228 0.000 2.767 2051 T HA 0.402 4.752 4.350 -0.000 0.000 0.288 2051 T C -0.107 174.751 174.700 0.263 0.000 0.963 2051 T CA -0.664 61.564 62.100 0.212 0.000 1.019 2051 T CB 0.952 69.930 68.868 0.184 0.000 0.923 2051 T HN 0.514 nan 8.240 nan 0.000 0.468 2052 S N 2.522 118.376 115.700 0.256 0.000 2.500 2052 S HA 0.759 5.229 4.470 -0.000 0.000 0.301 2052 S C -1.476 173.295 174.600 0.285 0.000 1.092 2052 S CA -1.002 57.349 58.200 0.252 0.000 1.030 2052 S CB 1.174 64.474 63.200 0.165 0.000 1.031 2052 S HN 0.654 nan 8.310 nan 0.000 0.483 2053 W N 1.147 122.468 121.300 0.034 0.000 2.864 2053 W HA 0.634 5.294 4.660 -0.000 0.000 0.343 2053 W C 0.229 176.756 176.519 0.014 0.000 1.109 2053 W CA -0.837 56.520 57.345 0.020 0.000 1.192 2053 W CB 1.884 31.353 29.460 0.015 0.000 1.426 2053 W HN 0.704 nan 8.180 nan 0.000 0.529 2054 R N 1.620 122.233 120.500 0.188 0.000 2.604 2054 R HA 0.887 5.227 4.340 -0.000 0.000 0.287 2054 R C -0.531 175.863 176.300 0.158 0.000 0.970 2054 R CA -0.292 55.882 56.100 0.122 0.000 0.946 2054 R CB 1.455 31.781 30.300 0.043 0.000 1.127 2054 R HN 0.648 nan 8.270 nan 0.000 0.473 2055 A N 2.229 125.115 122.820 0.110 0.000 2.535 2055 A HA 0.516 4.836 4.320 -0.000 0.000 0.296 2055 A C -1.582 176.033 177.584 0.051 0.000 1.248 2055 A CA -0.641 51.454 52.037 0.096 0.000 0.686 2055 A CB 1.786 20.845 19.000 0.099 0.000 1.315 2055 A HN 0.693 nan 8.150 nan 0.000 0.460 2056 E N -0.606 119.617 120.200 0.039 0.000 2.275 2056 E HA 0.550 4.900 4.350 -0.000 0.000 0.270 2056 E C -2.353 174.256 176.600 0.014 0.000 0.882 2056 E CA -0.561 55.852 56.400 0.022 0.000 0.758 2056 E CB 2.033 31.744 29.700 0.020 0.000 1.195 2056 E HN 0.450 nan 8.360 nan 0.000 0.419 2057 L N 4.366 125.592 121.223 0.005 0.000 2.404 2057 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 2057 L C -1.051 175.817 176.870 -0.003 0.000 0.980 2057 L CA -0.057 54.783 54.840 -0.000 0.000 0.836 2057 L CB 1.368 43.424 42.059 -0.005 0.000 1.238 2057 L HN 0.615 nan 8.230 nan 0.000 0.408 2058 D N 4.567 124.965 120.400 -0.003 0.000 2.701 2058 D HA -0.205 4.435 4.640 -0.000 0.000 0.235 2058 D C 1.176 177.474 176.300 -0.003 0.000 1.155 2058 D CA 1.621 55.618 54.000 -0.004 0.000 0.649 2058 D CB -0.904 39.892 40.800 -0.006 0.000 1.050 2058 D HN 1.168 nan 8.370 nan 0.000 0.425 2059 G N -1.061 107.738 108.800 -0.001 0.000 2.217 2059 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.246 2059 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.246 2059 G C 0.319 175.218 174.900 -0.001 0.000 0.990 2059 G CA 0.525 45.625 45.100 -0.000 0.000 0.627 2059 G HN 0.479 nan 8.290 nan 0.000 0.522 2060 K N 0.879 121.278 120.400 -0.003 0.000 2.182 2060 K HA 0.730 5.050 4.320 -0.000 0.000 0.262 2060 K C 0.510 177.108 176.600 -0.004 0.000 0.957 2060 K CA 0.008 56.291 56.287 -0.006 0.000 0.842 2060 K CB 1.848 34.341 32.500 -0.011 0.000 1.099 2060 K HN 0.524 nan 8.250 nan 0.000 0.438 2061 A N 2.115 124.933 122.820 -0.004 0.000 2.477 2061 A HA 0.364 4.684 4.320 -0.000 0.000 0.246 2061 A C -0.054 177.526 177.584 -0.007 0.000 1.078 2061 A CA -0.359 51.678 52.037 -0.000 0.000 0.770 2061 A CB -0.047 18.952 19.000 -0.001 0.000 1.011 2061 A HN 0.552 nan 8.150 nan 0.000 0.494 2062 V N 0.995 120.911 119.914 0.003 0.000 2.962 2062 V HA 0.744 4.864 4.120 -0.000 0.000 0.313 2062 V C -0.578 175.525 176.094 0.016 0.000 1.099 2062 V CA -1.098 61.199 62.300 -0.005 0.000 0.971 2062 V CB 1.744 33.564 31.823 -0.005 0.000 1.028 2062 V HN 0.657 nan 8.190 nan 0.000 0.430 2063 I N 3.064 123.635 120.570 0.002 0.000 2.460 2063 I HA 0.610 4.780 4.170 -0.000 0.000 0.298 2063 I C -0.336 175.812 176.117 0.052 0.000 0.989 2063 I CA -0.659 60.662 61.300 0.035 0.000 1.173 2063 I CB 1.946 39.954 38.000 0.012 0.000 1.338 2063 I HN 0.558 nan 8.210 nan 0.000 0.456 2064 V N 5.022 124.999 119.914 0.105 0.000 2.444 2064 V HA 0.426 4.546 4.120 -0.000 0.000 0.294 2064 V C -0.475 175.705 176.094 0.145 0.000 1.022 2064 V CA -0.486 61.874 62.300 0.100 0.000 0.850 2064 V CB 2.038 33.904 31.823 0.072 0.000 0.992 2064 V HN 0.899 nan 8.190 nan 0.000 0.426 2065 C N 4.913 124.294 119.300 0.135 0.000 2.608 2065 C HA 0.739 5.198 4.460 -0.000 0.000 0.325 2065 C C 0.489 175.582 174.990 0.171 0.000 1.147 2065 C CA -0.335 58.786 59.018 0.173 0.000 1.359 2065 C CB 1.308 29.152 27.740 0.173 0.000 1.912 2065 C HN 1.039 nan 8.230 nan 0.000 0.466 2066 S N 3.108 118.919 115.700 0.184 0.000 2.601 2066 S HA 0.431 4.901 4.470 -0.000 0.000 0.271 2066 S C 0.874 175.616 174.600 0.237 0.000 1.305 2066 S CA 0.350 58.642 58.200 0.154 0.000 1.022 2066 S CB 1.376 64.633 63.200 0.095 0.000 0.940 2066 S HN 1.036 nan 8.310 nan 0.000 0.525 2067 T N -1.593 113.063 114.554 0.170 0.000 3.014 2067 T HA 0.530 4.880 4.350 -0.000 0.000 0.250 2067 T C 1.186 175.954 174.700 0.115 0.000 1.060 2067 T CA 0.316 62.550 62.100 0.222 0.000 1.040 2067 T CB -0.869 68.078 68.868 0.130 0.000 0.971 2067 T HN 1.916 nan 8.240 nan 0.000 0.497 2068 G N 1.551 110.344 108.800 -0.012 0.000 2.760 2068 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.246 2068 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.246 2068 G C -0.628 174.252 174.900 -0.032 0.000 1.359 2068 G CA -0.509 44.538 45.100 -0.088 0.000 0.861 2068 G HN 0.627 nan 8.290 nan 0.000 0.541 2069 I N 2.206 122.749 120.570 -0.045 0.000 2.371 2069 I HA 0.522 4.692 4.170 -0.000 0.000 0.290 2069 I C 1.100 177.212 176.117 -0.007 0.000 1.028 2069 I CA 0.967 62.253 61.300 -0.023 0.000 1.345 2069 I CB 0.526 38.505 38.000 -0.036 0.000 1.407 2069 I HN 2.001 nan 8.210 nan 0.000 0.501 2070 G N 3.960 112.763 108.800 0.005 0.000 2.663 2070 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.686 2070 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.686 2070 G C 0.551 175.458 174.900 0.010 0.000 1.246 2070 G CA -0.471 44.633 45.100 0.008 0.000 0.795 2070 G HN 0.909 nan 8.290 nan 0.000 0.627 2071 G N 0.358 109.160 108.800 0.004 0.000 2.440 2071 G HA2 0.036 3.996 3.960 -0.000 0.000 0.218 2071 G HA3 0.036 3.996 3.960 -0.000 0.000 0.218 2071 G C 0.123 175.028 174.900 0.007 0.000 1.154 2071 G CA 2.183 47.282 45.100 -0.001 0.000 0.767 2071 G HN 0.684 nan 8.290 nan 0.000 0.552 2072 P HA -0.102 nan 4.420 nan 0.000 0.215 2072 P C 2.482 179.811 177.300 0.049 0.000 1.157 2072 P CA 2.272 65.377 63.100 0.008 0.000 0.863 2072 P CB -0.217 31.484 31.700 0.001 0.000 0.787 2073 S N -1.851 113.893 115.700 0.074 0.000 2.383 2073 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 2073 S C 1.956 176.691 174.600 0.225 0.000 1.026 2073 S CA 1.875 60.184 58.200 0.180 0.000 0.981 2073 S CB -1.996 61.261 63.200 0.094 0.000 0.818 2073 S HN 0.087 nan 8.310 nan 0.000 0.472 2074 T N 3.052 117.673 114.554 0.112 0.000 2.708 2074 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 2074 T C 2.354 177.047 174.700 -0.013 0.000 1.037 2074 T CA 1.893 64.030 62.100 0.061 0.000 1.146 2074 T CB -0.786 68.085 68.868 0.004 0.000 0.865 2074 T HN 0.793 nan 8.240 nan 0.000 0.435 2075 S N 1.254 116.948 115.700 -0.011 0.000 2.399 2075 S HA -0.055 4.414 4.470 -0.000 0.000 0.231 2075 S C 2.062 176.650 174.600 -0.020 0.000 1.022 2075 S CA 0.860 59.051 58.200 -0.014 0.000 0.983 2075 S CB -0.768 62.517 63.200 0.143 0.000 0.803 2075 S HN 0.508 nan 8.310 nan 0.000 0.480 2076 I N 2.065 122.609 120.570 -0.043 0.000 2.233 2076 I HA -0.079 4.091 4.170 -0.000 0.000 0.243 2076 I C 3.121 179.086 176.117 -0.254 0.000 1.093 2076 I CA 1.057 62.257 61.300 -0.167 0.000 1.380 2076 I CB -0.714 37.099 38.000 -0.311 0.000 1.067 2076 I HN 0.425 nan 8.210 nan 0.000 0.413 2077 A N 0.465 123.121 122.820 -0.273 0.000 1.883 2077 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 2077 A C 2.421 179.958 177.584 -0.078 0.000 1.186 2077 A CA 1.913 53.804 52.037 -0.243 0.000 0.624 2077 A CB -1.001 17.994 19.000 -0.009 0.000 0.822 2077 A HN 0.244 nan 8.150 nan 0.000 0.444 2078 V N 0.126 119.968 119.914 -0.120 0.000 2.307 2078 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 2078 V C 2.625 178.638 176.094 -0.134 0.000 1.045 2078 V CA 2.447 64.591 62.300 -0.258 0.000 1.024 2078 V CB -0.794 30.686 31.823 -0.573 0.000 0.651 2078 V HN 0.776 nan 8.190 nan 0.000 0.449 2079 E N 0.968 121.108 120.200 -0.100 0.000 2.058 2079 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 2079 E C 2.055 178.676 176.600 0.034 0.000 0.997 2079 E CA 2.154 58.548 56.400 -0.010 0.000 0.801 2079 E CB -0.320 29.403 29.700 0.039 0.000 0.746 2079 E HN 0.689 nan 8.360 nan 0.000 0.450 2080 E N -0.126 120.081 120.200 0.011 0.000 2.107 2080 E HA -0.091 4.258 4.350 -0.000 0.000 0.191 2080 E C 2.292 178.927 176.600 0.057 0.000 0.982 2080 E CA 0.907 57.324 56.400 0.027 0.000 0.809 2080 E CB -0.130 29.564 29.700 -0.010 0.000 0.756 2080 E HN 0.315 nan 8.360 nan 0.000 0.459 2081 L N 0.689 121.971 121.223 0.099 0.000 2.083 2081 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 2081 L C 2.582 179.562 176.870 0.183 0.000 1.083 2081 L CA 0.934 55.869 54.840 0.158 0.000 0.752 2081 L CB -0.450 41.785 42.059 0.293 0.000 0.899 2081 L HN 0.152 nan 8.230 nan 0.000 0.433 2082 A N -0.490 122.486 122.820 0.259 0.000 1.902 2082 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 2082 A C 2.203 179.851 177.584 0.108 0.000 1.181 2082 A CA 1.421 53.589 52.037 0.217 0.000 0.623 2082 A CB -0.434 18.681 19.000 0.191 0.000 0.818 2082 A HN 0.474 nan 8.150 nan 0.000 0.443 2083 Q N -1.063 118.787 119.800 0.083 0.000 2.170 2083 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 2083 Q C 1.386 177.412 176.000 0.044 0.000 0.976 2083 Q CA 0.996 56.833 55.803 0.057 0.000 0.858 2083 Q CB -0.217 28.552 28.738 0.051 0.000 0.907 2083 Q HN 0.476 nan 8.270 nan 0.000 0.433 2084 L N -1.416 119.834 121.223 0.045 0.000 2.554 2084 L HA 0.103 4.443 4.340 -0.000 0.000 0.226 2084 L C 1.426 178.305 176.870 0.015 0.000 1.137 2084 L CA 1.550 56.406 54.840 0.027 0.000 0.863 2084 L CB -0.083 41.991 42.059 0.026 0.000 0.985 2084 L HN 0.389 nan 8.230 nan 0.000 0.451 2085 G N -1.630 107.182 108.800 0.020 0.000 2.205 2085 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.180 2085 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.180 2085 G C 0.344 175.225 174.900 -0.031 0.000 1.004 2085 G CA -0.482 44.619 45.100 0.001 0.000 0.670 2085 G HN 0.061 nan 8.290 nan 0.000 0.496 2086 I N 1.238 121.773 120.570 -0.059 0.000 2.556 2086 I HA 0.315 4.485 4.170 -0.000 0.000 0.284 2086 I C 1.269 177.281 176.117 -0.174 0.000 1.114 2086 I CA 0.257 61.426 61.300 -0.218 0.000 1.418 2086 I CB 1.022 38.757 38.000 -0.442 0.000 1.394 2086 I HN 0.081 nan 8.210 nan 0.000 0.552 2087 R N 2.921 123.299 120.500 -0.203 0.000 2.469 2087 R HA 0.207 4.547 4.340 -0.000 0.000 0.250 2087 R C -0.215 176.056 176.300 -0.050 0.000 0.909 2087 R CA 0.170 56.245 56.100 -0.043 0.000 1.050 2087 R CB 0.544 30.839 30.300 -0.010 0.000 1.256 2087 R HN 0.525 nan 8.270 nan 0.000 0.550 2088 T N 1.254 115.647 114.554 -0.268 0.000 2.879 2088 T HA 0.585 4.935 4.350 -0.000 0.000 0.290 2088 T C -1.148 173.335 174.700 -0.362 0.000 0.993 2088 T CA -0.293 61.716 62.100 -0.152 0.000 0.975 2088 T CB 1.258 70.072 68.868 -0.090 0.000 0.981 2088 T HN -0.171 nan 8.240 nan 0.000 0.439 2089 F N 2.707 122.653 119.950 -0.006 0.000 2.493 2089 F HA 0.583 5.109 4.527 -0.000 0.000 0.329 2089 F C -0.271 175.524 175.800 -0.007 0.000 1.126 2089 F CA -1.069 56.927 58.000 -0.007 0.000 0.937 2089 F CB 1.381 40.371 39.000 -0.015 0.000 1.146 2089 F HN 0.210 nan 8.300 nan 0.000 0.442 2090 L N 4.003 125.307 121.223 0.135 0.000 2.316 2090 L HA 0.543 4.883 4.340 -0.000 0.000 0.280 2090 L C -0.191 176.727 176.870 0.080 0.000 1.006 2090 L CA -0.926 53.962 54.840 0.081 0.000 0.836 2090 L CB 1.644 43.723 42.059 0.033 0.000 1.221 2090 L HN 0.491 nan 8.230 nan 0.000 0.418 2091 R N 3.458 123.999 120.500 0.069 0.000 2.340 2091 R HA 0.524 4.863 4.340 -0.000 0.000 0.300 2091 R C -1.055 175.265 176.300 0.034 0.000 1.069 2091 R CA -0.096 56.035 56.100 0.052 0.000 0.984 2091 R CB 0.855 31.177 30.300 0.038 0.000 1.003 2091 R HN 0.542 nan 8.270 nan 0.000 0.459 2092 I N 3.322 123.910 120.570 0.030 0.000 2.465 2092 I HA 0.790 4.960 4.170 -0.000 0.000 0.291 2092 I C -0.637 175.490 176.117 0.017 0.000 1.014 2092 I CA -0.024 61.288 61.300 0.020 0.000 1.093 2092 I CB 2.131 40.140 38.000 0.014 0.000 1.267 2092 I HN 0.739 nan 8.210 nan 0.000 0.431 2093 G N 3.736 112.544 108.800 0.014 0.000 2.682 2093 G HA2 0.658 4.618 3.960 -0.000 0.000 0.290 2093 G HA3 0.658 4.618 3.960 -0.000 0.000 0.290 2093 G C -1.325 173.582 174.900 0.011 0.000 1.425 2093 G CA -0.342 44.765 45.100 0.013 0.000 0.807 2093 G HN 0.665 nan 8.290 nan 0.000 0.482 2094 T N -2.415 112.145 114.554 0.010 0.000 2.912 2094 T HA 0.801 5.151 4.350 -0.000 0.000 0.288 2094 T C -0.349 174.360 174.700 0.016 0.000 1.030 2094 T CA -0.745 61.361 62.100 0.009 0.000 1.020 2094 T CB 2.185 71.054 68.868 0.003 0.000 1.056 2094 T HN 0.904 nan 8.240 nan 0.000 0.480 2095 T N -0.286 114.276 114.554 0.014 0.000 2.821 2095 T HA 0.668 5.017 4.350 -0.000 0.000 0.306 2095 T C 0.329 175.035 174.700 0.010 0.000 1.313 2095 T CA -0.088 62.022 62.100 0.017 0.000 1.012 2095 T CB 1.228 70.102 68.868 0.011 0.000 1.298 2095 T HN 1.083 nan 8.240 nan 0.000 0.502 2096 G N 0.702 109.509 108.800 0.011 0.000 2.510 2096 G HA2 0.750 4.710 3.960 -0.000 0.000 0.280 2096 G HA3 0.750 4.710 3.960 -0.000 0.000 0.280 2096 G C -0.467 174.421 174.900 -0.020 0.000 1.386 2096 G CA -0.065 45.035 45.100 -0.000 0.000 1.047 2096 G HN 1.120 nan 8.290 nan 0.000 0.527 2097 A N -1.444 121.354 122.820 -0.036 0.000 2.556 2097 A HA 0.609 4.928 4.320 -0.000 0.000 0.294 2097 A C 0.090 177.630 177.584 -0.074 0.000 1.091 2097 A CA -0.327 51.660 52.037 -0.084 0.000 0.704 2097 A CB 1.209 20.131 19.000 -0.130 0.000 1.300 2097 A HN 1.254 nan 8.150 nan 0.000 0.406 2098 I N -2.606 117.896 120.570 -0.114 0.000 4.147 2098 I HA 0.314 4.484 4.170 -0.000 0.000 0.329 2098 I C -0.466 175.596 176.117 -0.093 0.000 1.424 2098 I CA -0.143 61.112 61.300 -0.075 0.000 1.127 2098 I CB 0.451 38.403 38.000 -0.080 0.000 1.128 2098 I HN 0.317 nan 8.210 nan 0.000 0.417 2099 Q N 2.074 121.758 119.800 -0.194 0.000 2.293 2099 Q HA 0.391 4.731 4.340 -0.000 0.000 0.261 2099 Q C -2.025 173.777 176.000 -0.328 0.000 0.960 2099 Q CA -1.905 53.727 55.803 -0.285 0.000 0.882 2099 Q CB 2.059 30.434 28.738 -0.605 0.000 1.275 2099 Q HN -0.000 nan 8.270 nan 0.000 0.445 2100 P HA -0.142 nan 4.420 nan 0.000 0.220 2100 P C 0.552 177.826 177.300 -0.042 0.000 1.148 2100 P CA 1.417 64.495 63.100 -0.036 0.000 0.803 2100 P CB 0.099 31.835 31.700 0.059 0.000 0.782 2101 H N -2.484 116.556 119.070 -0.050 0.000 2.555 2101 H HA 0.203 4.759 4.556 -0.000 0.000 0.269 2101 H C 0.566 175.850 175.328 -0.074 0.000 0.988 2101 H CA -0.192 55.833 56.048 -0.039 0.000 1.178 2101 H CB -0.841 28.904 29.762 -0.027 0.000 1.373 2101 H HN 0.083 nan 8.280 nan 0.000 0.588 2102 I N 2.913 123.213 120.570 -0.450 0.000 2.304 2102 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 2102 I C -0.422 175.611 176.117 -0.140 0.000 1.018 2102 I CA -0.580 60.495 61.300 -0.376 0.000 1.260 2102 I CB 0.652 38.319 38.000 -0.555 0.000 1.390 2102 I HN 0.311 nan 8.210 nan 0.000 0.475 2103 N N 5.344 124.033 118.700 -0.019 0.000 2.443 2103 N HA 0.367 5.107 4.740 -0.000 0.000 0.293 2103 N C -0.474 175.041 175.510 0.008 0.000 1.159 2103 N CA -0.671 52.379 53.050 -0.001 0.000 0.904 2103 N CB 1.987 40.489 38.487 0.026 0.000 1.214 2103 N HN 0.125 nan 8.380 nan 0.000 0.513 2104 V N 0.665 120.577 119.914 -0.004 0.000 2.644 2104 V HA 0.207 4.327 4.120 -0.000 0.000 0.305 2104 V C 1.566 177.656 176.094 -0.007 0.000 1.053 2104 V CA 1.498 63.793 62.300 -0.008 0.000 1.186 2104 V CB 0.003 31.818 31.823 -0.013 0.000 0.895 2104 V HN 1.094 nan 8.190 nan 0.000 0.490 2105 G N 3.481 112.270 108.800 -0.018 0.000 2.259 2105 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 2105 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 2105 G C -0.023 174.881 174.900 0.007 0.000 1.001 2105 G CA 0.006 45.084 45.100 -0.036 0.000 0.627 2105 G HN 0.660 nan 8.290 nan 0.000 0.501 2106 D N 0.057 120.487 120.400 0.049 0.000 2.360 2106 D HA 0.508 5.148 4.640 -0.000 0.000 0.242 2106 D C 0.279 176.630 176.300 0.085 0.000 1.184 2106 D CA 0.214 54.270 54.000 0.094 0.000 0.930 2106 D CB 2.018 42.955 40.800 0.229 0.000 1.161 2106 D HN 0.445 nan 8.370 nan 0.000 0.447 2107 V N 1.493 121.454 119.914 0.078 0.000 2.628 2107 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 2107 V C -1.041 175.103 176.094 0.085 0.000 1.045 2107 V CA -0.670 61.669 62.300 0.064 0.000 0.905 2107 V CB 1.428 33.277 31.823 0.043 0.000 0.997 2107 V HN 0.323 nan 8.190 nan 0.000 0.436 2108 L N 6.570 127.835 121.223 0.070 0.000 2.333 2108 L HA 0.638 4.978 4.340 -0.000 0.000 0.280 2108 L C -0.833 176.060 176.870 0.038 0.000 1.004 2108 L CA -0.877 54.006 54.840 0.072 0.000 0.820 2108 L CB 1.856 43.945 42.059 0.050 0.000 1.247 2108 L HN 0.343 nan 8.230 nan 0.000 0.416 2109 V N 1.667 121.601 119.914 0.034 0.000 2.398 2109 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 2109 V C 0.266 176.370 176.094 0.016 0.000 1.026 2109 V CA -0.407 61.902 62.300 0.015 0.000 0.868 2109 V CB 1.712 33.536 31.823 0.001 0.000 0.982 2109 V HN 0.737 nan 8.190 nan 0.000 0.443 2110 T N 3.223 117.782 114.554 0.007 0.000 2.743 2110 T HA 0.213 4.563 4.350 -0.000 0.000 0.293 2110 T C 1.313 176.017 174.700 0.007 0.000 0.945 2110 T CA 0.173 62.274 62.100 0.002 0.000 1.030 2110 T CB 1.222 70.086 68.868 -0.007 0.000 0.912 2110 T HN 0.969 nan 8.240 nan 0.000 0.483 2111 T N 0.631 115.192 114.554 0.011 0.000 2.978 2111 T HA 0.469 4.819 4.350 -0.000 0.000 0.262 2111 T C 0.719 175.429 174.700 0.016 0.000 1.063 2111 T CA 0.306 62.419 62.100 0.022 0.000 1.140 2111 T CB 0.151 69.038 68.868 0.031 0.000 0.886 2111 T HN 0.768 nan 8.240 nan 0.000 0.470 2112 A N -0.132 122.688 122.820 -0.001 0.000 2.586 2112 A HA 0.666 4.986 4.320 -0.000 0.000 0.291 2112 A C -1.064 176.501 177.584 -0.033 0.000 1.062 2112 A CA -0.842 51.189 52.037 -0.009 0.000 0.666 2112 A CB 1.167 20.160 19.000 -0.012 0.000 1.281 2112 A HN 0.201 nan 8.150 nan 0.000 0.421 2113 S N -0.292 115.385 115.700 -0.038 0.000 2.536 2113 S HA 0.598 5.068 4.470 -0.000 0.000 0.298 2113 S C -0.362 174.179 174.600 -0.099 0.000 1.083 2113 S CA -0.556 57.600 58.200 -0.073 0.000 0.995 2113 S CB 1.704 64.871 63.200 -0.055 0.000 1.058 2113 S HN 0.950 nan 8.310 nan 0.000 0.488 2114 V N 3.256 123.057 119.914 -0.189 0.000 2.529 2114 V HA 0.154 4.274 4.120 -0.000 0.000 0.292 2114 V C 0.604 176.604 176.094 -0.156 0.000 1.028 2114 V CA 0.094 62.241 62.300 -0.255 0.000 1.074 2114 V CB -0.166 31.295 31.823 -0.603 0.000 0.958 2114 V HN 0.696 nan 8.190 nan 0.000 0.481 2115 R N 5.380 125.840 120.500 -0.067 0.000 2.891 2115 R HA 0.328 4.668 4.340 -0.000 0.000 0.248 2115 R C -0.002 176.327 176.300 0.049 0.000 1.439 2115 R CA -0.138 55.966 56.100 0.006 0.000 1.288 2115 R CB 0.045 30.374 30.300 0.048 0.000 1.212 2115 R HN 0.670 nan 8.270 nan 0.000 0.605 2116 L N 2.123 123.380 121.223 0.057 0.000 2.912 2116 L HA 0.141 4.481 4.340 -0.000 0.000 0.240 2116 L C 0.237 177.190 176.870 0.138 0.000 1.262 2116 L CA -0.268 54.673 54.840 0.169 0.000 1.058 2116 L CB -0.663 41.537 42.059 0.236 0.000 1.383 2116 L HN 0.506 nan 8.230 nan 0.000 0.512 2117 D N -1.296 119.160 120.400 0.093 0.000 2.525 2117 D HA 0.321 4.961 4.640 -0.000 0.000 0.249 2117 D C 0.756 177.102 176.300 0.076 0.000 1.072 2117 D CA -0.360 53.681 54.000 0.068 0.000 1.067 2117 D CB 1.855 42.678 40.800 0.038 0.000 1.282 2117 D HN -0.074 nan 8.370 nan 0.000 0.587 2118 G N -1.266 107.559 108.800 0.042 0.000 2.748 2118 G HA2 0.246 4.206 3.960 -0.000 0.000 0.204 2118 G HA3 0.246 4.206 3.960 -0.000 0.000 0.204 2118 G C 1.261 176.138 174.900 -0.038 0.000 1.095 2118 G CA 0.576 45.699 45.100 0.039 0.000 0.775 2118 G HN 0.609 nan 8.290 nan 0.000 0.531 2119 A N 1.744 124.500 122.820 -0.106 0.000 1.969 2119 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 2119 A C 2.663 180.316 177.584 0.115 0.000 1.169 2119 A CA 2.301 54.228 52.037 -0.184 0.000 0.635 2119 A CB -0.639 18.323 19.000 -0.064 0.000 0.810 2119 A HN 0.705 nan 8.150 nan 0.000 0.445 2120 S N 0.287 116.076 115.700 0.148 0.000 2.400 2120 S HA -0.125 4.345 4.470 -0.000 0.000 0.232 2120 S C 1.725 176.476 174.600 0.252 0.000 1.025 2120 S CA 1.482 59.815 58.200 0.221 0.000 0.993 2120 S CB -0.763 62.511 63.200 0.123 0.000 0.808 2120 S HN 0.451 nan 8.310 nan 0.000 0.478 2121 L N 0.772 122.121 121.223 0.210 0.000 2.456 2121 L HA -0.013 4.327 4.340 -0.000 0.000 0.224 2121 L C 2.294 179.271 176.870 0.179 0.000 1.148 2121 L CA 1.068 56.023 54.840 0.193 0.000 0.825 2121 L CB -0.658 41.515 42.059 0.190 0.000 0.937 2121 L HN 0.515 nan 8.230 nan 0.000 0.450 2122 H N -1.953 117.069 119.070 -0.080 0.000 2.547 2122 H HA 0.027 4.583 4.556 -0.000 0.000 0.266 2122 H C 1.266 176.219 175.328 -0.625 0.000 0.988 2122 H CA 0.486 56.333 56.048 -0.336 0.000 1.147 2122 H CB 0.441 29.948 29.762 -0.425 0.000 1.365 2122 H HN 0.346 nan 8.280 nan 0.000 0.589 2123 F N -0.200 119.773 119.950 0.038 0.000 2.619 2123 F HA 0.426 4.953 4.527 -0.000 0.000 0.281 2123 F C 0.872 176.586 175.800 -0.144 0.000 1.065 2123 F CA -0.023 57.938 58.000 -0.063 0.000 1.304 2123 F CB 0.984 39.930 39.000 -0.091 0.000 1.059 2123 F HN -0.047 nan 8.300 nan 0.000 0.648 2124 A N 0.454 123.297 122.820 0.039 0.000 2.574 2124 A HA 0.638 4.958 4.320 -0.000 0.000 0.297 2124 A C -2.778 174.832 177.584 0.045 0.000 1.062 2124 A CA -1.459 50.533 52.037 -0.075 0.000 0.686 2124 A CB 0.710 19.479 19.000 -0.384 0.000 1.285 2124 A HN -0.173 nan 8.150 nan 0.000 0.403 2125 P HA 0.131 nan 4.420 nan 0.000 0.271 2125 P C 0.833 178.214 177.300 0.136 0.000 1.244 2125 P CA -0.251 62.902 63.100 0.088 0.000 0.793 2125 P CB 0.453 32.200 31.700 0.078 0.000 0.984 2126 M N 0.897 120.563 119.600 0.111 0.000 2.279 2126 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 2126 M C 1.497 177.871 176.300 0.123 0.000 1.062 2126 M CA 1.886 57.255 55.300 0.115 0.000 1.099 2126 M CB -1.243 31.410 32.600 0.088 0.000 1.394 2126 M HN 0.274 nan 8.290 nan 0.000 0.426 2127 E N -0.657 119.614 120.200 0.118 0.000 2.209 2127 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 2127 E C 0.208 176.874 176.600 0.110 0.000 0.993 2127 E CA 0.665 57.123 56.400 0.097 0.000 0.819 2127 E CB -0.457 29.293 29.700 0.084 0.000 0.745 2127 E HN 0.490 nan 8.360 nan 0.000 0.477 2128 F N 2.253 122.222 119.950 0.033 0.000 2.495 2128 F HA 0.157 4.684 4.527 -0.000 0.000 0.365 2128 F C -1.986 173.830 175.800 0.027 0.000 1.090 2128 F CA -2.823 55.196 58.000 0.031 0.000 1.235 2128 F CB 0.596 39.621 39.000 0.041 0.000 1.119 2128 F HN -0.128 nan 8.300 nan 0.000 0.562 2129 P HA 0.153 nan 4.420 nan 0.000 0.281 2129 P C -1.218 176.117 177.300 0.060 0.000 1.252 2129 P CA -0.371 62.654 63.100 -0.125 0.000 0.778 2129 P CB 1.212 32.764 31.700 -0.246 0.000 0.895 2130 A N 4.162 127.036 122.820 0.091 0.000 3.026 2130 A HA 0.244 4.564 4.320 -0.000 0.000 0.272 2130 A C 0.294 177.908 177.584 0.050 0.000 1.782 2130 A CA -0.260 51.837 52.037 0.100 0.000 1.451 2130 A CB -0.947 18.087 19.000 0.056 0.000 1.081 2130 A HN 0.470 nan 8.150 nan 0.000 0.611 2131 V N 1.737 121.686 119.914 0.058 0.000 2.532 2131 V HA 0.702 4.821 4.120 -0.000 0.000 0.295 2131 V C 0.638 176.763 176.094 0.053 0.000 1.041 2131 V CA -0.224 62.094 62.300 0.031 0.000 0.926 2131 V CB 1.433 33.254 31.823 -0.004 0.000 0.992 2131 V HN 0.901 nan 8.190 nan 0.000 0.457 2132 A N 4.223 127.070 122.820 0.045 0.000 2.332 2132 A HA 0.393 4.713 4.320 -0.000 0.000 0.258 2132 A C 0.056 177.686 177.584 0.076 0.000 1.087 2132 A CA -0.197 51.870 52.037 0.051 0.000 0.802 2132 A CB 0.163 19.184 19.000 0.035 0.000 1.042 2132 A HN 1.028 nan 8.150 nan 0.000 0.489 2133 D N -0.019 120.427 120.400 0.077 0.000 2.424 2133 D HA 0.106 4.746 4.640 -0.000 0.000 0.244 2133 D C 0.662 177.030 176.300 0.114 0.000 1.134 2133 D CA 0.008 54.069 54.000 0.102 0.000 0.881 2133 D CB 0.169 41.020 40.800 0.086 0.000 1.191 2133 D HN 0.379 nan 8.370 nan 0.000 0.445 2134 F N 4.000 123.961 119.950 0.018 0.000 2.134 2134 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 2134 F C 2.006 177.813 175.800 0.012 0.000 1.097 2134 F CA 1.685 59.692 58.000 0.011 0.000 1.264 2134 F CB -0.424 38.581 39.000 0.008 0.000 1.001 2134 F HN 0.484 nan 8.300 nan 0.000 0.479 2135 A N -0.446 122.348 122.820 -0.043 0.000 1.902 2135 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 2135 A C 2.363 179.855 177.584 -0.154 0.000 1.181 2135 A CA 1.802 53.758 52.037 -0.136 0.000 0.623 2135 A CB -1.659 17.345 19.000 0.007 0.000 0.818 2135 A HN 0.566 nan 8.150 nan 0.000 0.443 2136 C N -1.097 118.158 119.300 -0.076 0.000 2.432 2136 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 2136 C C 3.033 177.966 174.990 -0.094 0.000 1.249 2136 C CA 1.499 60.482 59.018 -0.058 0.000 1.725 2136 C CB -1.557 26.180 27.740 -0.005 0.000 2.028 2136 C HN 0.644 nan 8.230 nan 0.000 0.477 2137 T N 0.648 115.132 114.554 -0.118 0.000 2.746 2137 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 2137 T C 1.803 176.385 174.700 -0.197 0.000 1.039 2137 T CA 2.141 64.167 62.100 -0.124 0.000 1.142 2137 T CB -0.529 68.287 68.868 -0.085 0.000 0.866 2137 T HN 0.596 nan 8.240 nan 0.000 0.444 2138 T N 2.071 116.407 114.554 -0.365 0.000 2.652 2138 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 2138 T C 2.417 176.997 174.700 -0.200 0.000 1.039 2138 T CA 1.296 63.172 62.100 -0.372 0.000 1.153 2138 T CB -0.622 67.883 68.868 -0.605 0.000 0.863 2138 T HN 0.442 nan 8.240 nan 0.000 0.428 2139 A N 1.002 123.723 122.820 -0.165 0.000 1.933 2139 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 2139 A C 2.319 179.857 177.584 -0.077 0.000 1.175 2139 A CA 1.247 53.224 52.037 -0.100 0.000 0.628 2139 A CB -0.846 18.107 19.000 -0.078 0.000 0.814 2139 A HN 0.480 nan 8.150 nan 0.000 0.444 2140 L N -0.764 120.415 121.223 -0.074 0.000 2.056 2140 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 2140 L C 2.530 179.369 176.870 -0.051 0.000 1.078 2140 L CA 1.004 55.813 54.840 -0.051 0.000 0.749 2140 L CB -0.505 41.531 42.059 -0.038 0.000 0.901 2140 L HN 0.246 nan 8.230 nan 0.000 0.433 2141 V N -0.228 119.647 119.914 -0.064 0.000 2.307 2141 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 2141 V C 2.330 178.392 176.094 -0.054 0.000 1.045 2141 V CA 1.776 64.043 62.300 -0.056 0.000 1.024 2141 V CB -0.425 31.361 31.823 -0.061 0.000 0.651 2141 V HN 0.443 nan 8.190 nan 0.000 0.449 2142 E N 0.105 120.267 120.200 -0.062 0.000 2.150 2142 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 2142 E C 2.297 178.869 176.600 -0.047 0.000 0.985 2142 E CA 1.161 57.529 56.400 -0.052 0.000 0.814 2142 E CB -0.284 29.382 29.700 -0.056 0.000 0.752 2142 E HN 0.603 nan 8.360 nan 0.000 0.466 2143 A N 1.431 124.222 122.820 -0.048 0.000 1.898 2143 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 2143 A C 2.386 179.943 177.584 -0.045 0.000 1.181 2143 A CA 1.498 53.508 52.037 -0.044 0.000 0.620 2143 A CB -0.550 18.426 19.000 -0.040 0.000 0.819 2143 A HN 0.286 nan 8.150 nan 0.000 0.442 2144 A N -0.545 122.250 122.820 -0.041 0.000 1.972 2144 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 2144 A C 2.060 179.616 177.584 -0.046 0.000 1.169 2144 A CA 2.245 54.258 52.037 -0.039 0.000 0.635 2144 A CB -0.337 18.644 19.000 -0.032 0.000 0.810 2144 A HN 0.405 nan 8.150 nan 0.000 0.446 2145 K N 0.585 120.958 120.400 -0.044 0.000 2.062 2145 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 2145 K C 2.327 178.901 176.600 -0.043 0.000 1.051 2145 K CA 1.599 57.861 56.287 -0.042 0.000 0.941 2145 K CB -0.323 32.154 32.500 -0.037 0.000 0.719 2145 K HN 0.590 nan 8.250 nan 0.000 0.440 2146 S N 0.433 116.105 115.700 -0.045 0.000 2.423 2146 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 2146 S C 1.817 176.382 174.600 -0.058 0.000 1.014 2146 S CA 1.079 59.251 58.200 -0.046 0.000 0.965 2146 S CB -0.647 62.527 63.200 -0.043 0.000 0.785 2146 S HN 0.495 nan 8.310 nan 0.000 0.495 2147 I N -1.974 118.552 120.570 -0.075 0.000 3.883 2147 I HA 0.520 4.690 4.170 -0.000 0.000 0.326 2147 I C 1.231 177.283 176.117 -0.108 0.000 1.283 2147 I CA 0.212 61.446 61.300 -0.110 0.000 1.161 2147 I CB -0.504 37.399 38.000 -0.162 0.000 1.012 2147 I HN 0.345 nan 8.210 nan 0.000 0.421 2148 G N 1.872 110.630 108.800 -0.070 0.000 2.176 2148 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 2148 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 2148 G C 0.372 175.251 174.900 -0.036 0.000 1.024 2148 G CA 0.114 45.184 45.100 -0.049 0.000 0.755 2148 G HN 0.969 nan 8.290 nan 0.000 0.507 2149 A N -0.083 122.715 122.820 -0.037 0.000 2.425 2149 A HA 0.652 4.972 4.320 -0.000 0.000 0.249 2149 A C 0.901 178.471 177.584 -0.023 0.000 1.084 2149 A CA 0.881 52.920 52.037 0.004 0.000 0.781 2149 A CB 0.398 19.408 19.000 0.017 0.000 1.019 2149 A HN 0.824 nan 8.150 nan 0.000 0.490 2150 T N 3.286 117.828 114.554 -0.019 0.000 2.743 2150 T HA 0.361 4.711 4.350 -0.000 0.000 0.290 2150 T C 0.179 174.762 174.700 -0.194 0.000 0.908 2150 T CA 0.528 62.573 62.100 -0.092 0.000 1.092 2150 T CB -0.292 68.546 68.868 -0.052 0.000 0.882 2150 T HN 0.640 nan 8.240 nan 0.000 0.531 2151 T N 4.651 119.048 114.554 -0.262 0.000 2.855 2151 T HA 0.383 4.733 4.350 -0.000 0.000 0.281 2151 T C -0.410 174.032 174.700 -0.430 0.000 1.007 2151 T CA -0.782 61.172 62.100 -0.244 0.000 1.009 2151 T CB 0.814 69.618 68.868 -0.107 0.000 0.983 2151 T HN 0.508 nan 8.240 nan 0.000 0.455 2152 H N 1.117 120.198 119.070 0.018 0.000 2.547 2152 H HA 0.531 5.087 4.556 -0.000 0.000 0.342 2152 H C -0.975 174.361 175.328 0.014 0.000 1.048 2152 H CA -0.514 55.549 56.048 0.025 0.000 1.204 2152 H CB 1.683 31.461 29.762 0.026 0.000 1.493 2152 H HN 0.264 nan 8.280 nan 0.000 0.511 2153 V N 2.517 122.501 119.914 0.117 0.000 2.448 2153 V HA 0.718 4.838 4.120 -0.000 0.000 0.295 2153 V C 0.560 176.694 176.094 0.067 0.000 1.025 2153 V CA -0.206 62.134 62.300 0.066 0.000 0.859 2153 V CB 1.368 33.214 31.823 0.038 0.000 0.988 2153 V HN 1.096 nan 8.190 nan 0.000 0.431 2154 G N 3.285 112.112 108.800 0.045 0.000 2.399 2154 G HA2 0.386 4.346 3.960 -0.000 0.000 0.256 2154 G HA3 0.386 4.346 3.960 -0.000 0.000 0.256 2154 G C -1.463 173.440 174.900 0.005 0.000 1.236 2154 G CA -0.400 44.718 45.100 0.031 0.000 0.914 2154 G HN 0.501 nan 8.290 nan 0.000 0.482 2155 V N 0.761 120.668 119.914 -0.012 0.000 2.567 2155 V HA 0.666 4.786 4.120 -0.000 0.000 0.289 2155 V C 0.239 176.282 176.094 -0.084 0.000 1.049 2155 V CA -0.096 62.176 62.300 -0.046 0.000 0.969 2155 V CB 1.392 33.185 31.823 -0.050 0.000 0.995 2155 V HN 0.768 nan 8.190 nan 0.000 0.471 2156 T N 3.506 117.995 114.554 -0.108 0.000 2.841 2156 T HA 0.654 5.003 4.350 -0.000 0.000 0.283 2156 T C -0.131 174.444 174.700 -0.209 0.000 1.000 2156 T CA -0.287 61.729 62.100 -0.140 0.000 0.977 2156 T CB 1.625 70.443 68.868 -0.084 0.000 0.979 2156 T HN 0.910 nan 8.240 nan 0.000 0.446 2157 A N 2.281 124.922 122.820 -0.299 0.000 2.276 2157 A HA 0.643 4.963 4.320 -0.000 0.000 0.300 2157 A C 0.311 177.830 177.584 -0.108 0.000 1.235 2157 A CA -0.464 51.358 52.037 -0.359 0.000 0.867 2157 A CB 0.464 19.063 19.000 -0.668 0.000 1.137 2157 A HN 0.631 nan 8.150 nan 0.000 0.527 2158 S N 1.958 117.607 115.700 -0.085 0.000 2.498 2158 S HA 0.540 5.010 4.470 -0.000 0.000 0.324 2158 S C -0.200 174.406 174.600 0.011 0.000 1.071 2158 S CA -0.335 57.855 58.200 -0.016 0.000 1.113 2158 S CB 0.451 63.635 63.200 -0.028 0.000 0.976 2158 S HN 0.969 nan 8.310 nan 0.000 0.462 2159 S N 3.286 118.995 115.700 0.015 0.000 2.472 2159 S HA 0.367 4.837 4.470 -0.000 0.000 0.303 2159 S C 0.375 174.956 174.600 -0.031 0.000 1.099 2159 S CA -0.631 57.556 58.200 -0.021 0.000 1.077 2159 S CB 1.212 64.338 63.200 -0.123 0.000 1.031 2159 S HN 0.712 nan 8.310 nan 0.000 0.487 2160 D N 2.097 122.487 120.400 -0.017 0.000 2.371 2160 D HA 0.086 4.726 4.640 -0.000 0.000 0.221 2160 D C 0.793 177.081 176.300 -0.021 0.000 0.986 2160 D CA 0.896 54.893 54.000 -0.005 0.000 0.899 2160 D CB 0.164 40.978 40.800 0.024 0.000 0.902 2160 D HN 0.718 nan 8.370 nan 0.000 0.530 2161 T N -3.911 110.595 114.554 -0.079 0.000 2.907 2161 T HA 0.303 4.653 4.350 -0.000 0.000 0.292 2161 T C 0.509 175.150 174.700 -0.098 0.000 1.043 2161 T CA -0.899 61.167 62.100 -0.057 0.000 1.003 2161 T CB 1.309 70.131 68.868 -0.077 0.000 1.084 2161 T HN -0.111 nan 8.240 nan 0.000 0.483 2162 F N 0.018 119.846 119.950 -0.203 0.000 2.387 2162 F HA 0.209 4.736 4.527 0.000 0.000 0.294 2162 F C 0.985 176.469 175.800 -0.527 0.000 1.093 2162 F CA 0.658 58.425 58.000 -0.388 0.000 1.420 2162 F CB -0.004 38.715 39.000 -0.469 0.000 1.086 2162 F HN 0.684 nan 8.300 nan 0.000 0.531 2163 Y N 0.665 120.917 120.300 -0.080 0.000 2.344 2163 Y HA 0.151 4.701 4.550 -0.000 0.000 0.261 2163 Y C -0.513 175.205 175.900 -0.302 0.000 1.080 2163 Y CA 0.402 58.408 58.100 -0.157 0.000 1.151 2163 Y CB -1.816 36.641 38.460 -0.005 0.000 1.059 2163 Y HN -0.227 nan 8.280 nan 0.000 0.490 2164 P HA -0.063 nan 4.420 nan 0.000 0.219 2164 P C 1.376 178.371 177.300 -0.508 0.000 1.150 2164 P CA 2.030 64.986 63.100 -0.239 0.000 0.814 2164 P CB -0.141 31.487 31.700 -0.120 0.000 0.787 2165 G N 0.008 108.380 108.800 -0.714 0.000 2.598 2165 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.215 2165 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.215 2165 G C 1.296 175.721 174.900 -0.791 0.000 1.131 2165 G CA 0.205 44.563 45.100 -1.238 0.000 0.785 2165 G HN 0.365 nan 8.290 nan 0.000 0.539 2166 Q N -0.432 118.911 119.800 -0.762 0.000 2.175 2166 Q HA 0.192 4.532 4.340 -0.000 0.000 0.225 2166 Q C -0.027 175.638 176.000 -0.559 0.000 0.837 2166 Q CA -0.309 54.820 55.803 -1.123 0.000 1.032 2166 Q CB 0.475 28.435 28.738 -1.297 0.000 1.137 2166 Q HN 0.589 nan 8.270 nan 0.000 0.483 2167 E N 1.837 121.824 120.200 -0.355 0.000 2.199 2167 E HA -0.243 4.107 4.350 -0.000 0.000 0.208 2167 E C -0.912 175.482 176.600 -0.345 0.000 1.310 2167 E CA 0.184 56.414 56.400 -0.283 0.000 0.709 2167 E CB -0.307 29.371 29.700 -0.037 0.000 1.127 2167 E HN 0.334 nan 8.360 nan 0.000 0.354 2168 R N 0.185 120.480 120.500 -0.342 0.000 2.297 2168 R HA 0.192 4.532 4.340 -0.000 0.000 0.308 2168 R C 0.245 176.398 176.300 -0.245 0.000 1.029 2168 R CA -0.159 55.834 56.100 -0.179 0.000 0.929 2168 R CB 0.504 30.771 30.300 -0.054 0.000 1.046 2168 R HN 0.236 nan 8.270 nan 0.000 0.461 2169 Y N 0.074 120.405 120.300 0.052 0.000 2.444 2169 Y HA 0.000 4.550 4.550 -0.000 0.000 0.249 2169 Y C 0.623 176.548 175.900 0.043 0.000 1.134 2169 Y CA -0.330 57.795 58.100 0.042 0.000 1.261 2169 Y CB 0.542 39.017 38.460 0.026 0.000 1.143 2169 Y HN 0.543 nan 8.280 nan 0.000 0.523 2170 D N 1.318 121.830 120.400 0.187 0.000 2.688 2170 D HA 0.056 4.696 4.640 -0.000 0.000 0.228 2170 D C 0.141 176.497 176.300 0.093 0.000 1.116 2170 D CA 0.224 54.307 54.000 0.139 0.000 1.023 2170 D CB -0.391 40.496 40.800 0.145 0.000 1.100 2170 D HN 0.220 nan 8.370 nan 0.000 0.487 2171 T N -3.743 110.838 114.554 0.044 0.000 2.838 2171 T HA 0.215 4.565 4.350 -0.000 0.000 0.292 2171 T C 0.847 175.552 174.700 0.008 0.000 1.113 2171 T CA -0.980 61.096 62.100 -0.041 0.000 1.008 2171 T CB 1.069 69.890 68.868 -0.078 0.000 1.259 2171 T HN 0.102 nan 8.240 nan 0.000 0.520 2172 Y N 1.547 121.779 120.300 -0.115 0.000 2.081 2172 Y HA -0.223 4.327 4.550 0.000 0.000 0.280 2172 Y C 2.747 178.627 175.900 -0.033 0.000 1.163 2172 Y CA 2.778 60.836 58.100 -0.070 0.000 1.135 2172 Y CB -0.253 38.157 38.460 -0.083 0.000 0.970 2172 Y HN 0.765 nan 8.280 nan 0.000 0.498 2173 S N -1.122 114.484 115.700 -0.156 0.000 2.458 2173 S HA 0.144 4.614 4.470 -0.000 0.000 0.223 2173 S C 1.814 176.354 174.600 -0.100 0.000 1.019 2173 S CA 0.586 58.660 58.200 -0.210 0.000 0.937 2173 S CB -0.329 62.841 63.200 -0.050 0.000 0.788 2173 S HN 0.987 nan 8.310 nan 0.000 0.511 2174 G N 1.723 110.511 108.800 -0.019 0.000 2.166 2174 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 2174 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 2174 G C 0.028 175.026 174.900 0.164 0.000 0.986 2174 G CA 0.537 45.682 45.100 0.074 0.000 0.683 2174 G HN 0.895 nan 8.290 nan 0.000 0.527 2175 R N -0.610 119.950 120.500 0.100 0.000 2.589 2175 R HA 0.687 5.027 4.340 -0.000 0.000 0.293 2175 R C -0.964 175.380 176.300 0.073 0.000 0.963 2175 R CA -0.668 55.505 56.100 0.122 0.000 0.905 2175 R CB 1.807 32.144 30.300 0.063 0.000 1.144 2175 R HN 0.146 nan 8.270 nan 0.000 0.459 2176 V N 4.812 124.791 119.914 0.110 0.000 2.483 2176 V HA 0.211 4.331 4.120 -0.000 0.000 0.297 2176 V C 0.035 176.197 176.094 0.113 0.000 1.027 2176 V CA -0.923 61.392 62.300 0.025 0.000 0.855 2176 V CB 1.606 33.323 31.823 -0.176 0.000 0.995 2176 V HN 0.705 nan 8.190 nan 0.000 0.424 2177 V N 6.074 126.064 119.914 0.127 0.000 2.928 2177 V HA 0.019 4.138 4.120 -0.000 0.000 0.307 2177 V C 1.907 178.066 176.094 0.108 0.000 1.105 2177 V CA 0.891 63.265 62.300 0.124 0.000 1.223 2177 V CB 0.846 32.758 31.823 0.148 0.000 0.930 2177 V HN 0.992 nan 8.190 nan 0.000 0.499 2178 R N 3.837 124.372 120.500 0.058 0.000 2.134 2178 R HA -0.246 4.094 4.340 -0.000 0.000 0.248 2178 R C 2.297 178.580 176.300 -0.029 0.000 1.143 2178 R CA 2.633 58.746 56.100 0.022 0.000 0.957 2178 R CB -0.406 29.896 30.300 0.004 0.000 0.867 2178 R HN 0.850 nan 8.270 nan 0.000 0.441 2179 R N -0.708 119.736 120.500 -0.093 0.000 2.133 2179 R HA -0.184 4.156 4.340 -0.000 0.000 0.247 2179 R C 1.471 177.522 176.300 -0.415 0.000 1.151 2179 R CA 2.162 58.086 56.100 -0.295 0.000 0.971 2179 R CB -0.228 29.808 30.300 -0.441 0.000 0.866 2179 R HN 0.350 nan 8.270 nan 0.000 0.447 2180 F N 0.131 120.098 119.950 0.029 0.000 2.721 2180 F HA 0.261 4.788 4.527 -0.000 0.000 0.301 2180 F C 0.466 176.268 175.800 0.004 0.000 1.096 2180 F CA -0.375 57.639 58.000 0.024 0.000 1.308 2180 F CB 0.447 39.461 39.000 0.024 0.000 1.086 2180 F HN -0.279 nan 8.300 nan 0.000 0.587 2181 K N 0.889 121.376 120.400 0.146 0.000 2.436 2181 K HA 0.220 4.540 4.320 -0.000 0.000 0.282 2181 K C 1.121 177.767 176.600 0.077 0.000 1.044 2181 K CA 0.865 57.242 56.287 0.150 0.000 1.028 2181 K CB 0.284 32.863 32.500 0.132 0.000 0.919 2181 K HN 0.368 nan 8.250 nan 0.000 0.474 2182 G N 1.824 110.683 108.800 0.098 0.000 2.184 2182 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.264 2182 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.264 2182 G C 0.929 175.784 174.900 -0.075 0.000 0.975 2182 G CA 0.823 45.933 45.100 0.017 0.000 0.642 2182 G HN 0.679 nan 8.290 nan 0.000 0.536 2183 S N -0.682 114.977 115.700 -0.069 0.000 2.406 2183 S HA 0.097 4.567 4.470 -0.000 0.000 0.228 2183 S C 2.257 176.639 174.600 -0.364 0.000 1.020 2183 S CA 1.544 59.559 58.200 -0.308 0.000 0.965 2183 S CB -0.240 62.922 63.200 -0.063 0.000 0.798 2183 S HN 0.695 nan 8.310 nan 0.000 0.488 2184 M N 1.548 121.166 119.600 0.029 0.000 2.086 2184 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 2184 M C 2.413 178.739 176.300 0.043 0.000 1.067 2184 M CA 1.956 57.365 55.300 0.182 0.000 1.116 2184 M CB -0.280 32.482 32.600 0.269 0.000 1.348 2184 M HN 0.430 nan 8.290 nan 0.000 0.407 2185 E N 0.194 120.391 120.200 -0.005 0.000 2.110 2185 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 2185 E C 1.645 178.203 176.600 -0.070 0.000 0.988 2185 E CA 1.683 58.072 56.400 -0.018 0.000 0.804 2185 E CB -0.057 29.633 29.700 -0.016 0.000 0.745 2185 E HN 0.676 nan 8.360 nan 0.000 0.458 2186 E N -0.456 119.621 120.200 -0.205 0.000 2.051 2186 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 2186 E C 1.891 178.408 176.600 -0.139 0.000 0.991 2186 E CA 1.408 57.643 56.400 -0.275 0.000 0.799 2186 E CB -0.242 29.139 29.700 -0.531 0.000 0.748 2186 E HN 0.459 nan 8.360 nan 0.000 0.449 2187 W N 1.312 122.620 121.300 0.013 0.000 2.388 2187 W HA -0.139 4.521 4.660 -0.000 0.000 0.294 2187 W C 2.443 178.934 176.519 -0.046 0.000 1.212 2187 W CA 0.104 57.430 57.345 -0.032 0.000 1.271 2187 W CB -0.111 29.293 29.460 -0.094 0.000 1.126 2187 W HN 0.097 nan 8.180 nan 0.000 0.535 2188 Q N 0.567 120.461 119.800 0.156 0.000 2.050 2188 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 2188 Q C 2.530 178.577 176.000 0.079 0.000 0.980 2188 Q CA 1.867 57.723 55.803 0.088 0.000 0.840 2188 Q CB -0.632 28.141 28.738 0.058 0.000 0.898 2188 Q HN 0.320 nan 8.270 nan 0.000 0.424 2189 A N 0.521 123.376 122.820 0.058 0.000 2.019 2189 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 2189 A C 1.830 179.451 177.584 0.061 0.000 1.164 2189 A CA 1.227 53.290 52.037 0.044 0.000 0.644 2189 A CB -0.363 18.647 19.000 0.016 0.000 0.805 2189 A HN 0.319 nan 8.150 nan 0.000 0.449 2190 M N -1.256 118.404 119.600 0.100 0.000 2.563 2190 M HA 0.192 4.672 4.480 -0.000 0.000 0.231 2190 M C 1.293 177.650 176.300 0.095 0.000 1.136 2190 M CA 0.709 56.077 55.300 0.113 0.000 1.026 2190 M CB 0.226 32.941 32.600 0.192 0.000 1.597 2190 M HN 0.600 nan 8.290 nan 0.000 0.495 2191 G N 0.595 109.447 108.800 0.086 0.000 2.157 2191 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 2191 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 2191 G C 0.100 175.029 174.900 0.049 0.000 0.979 2191 G CA -0.234 44.909 45.100 0.070 0.000 0.650 2191 G HN 0.312 nan 8.290 nan 0.000 0.529 2192 V N 1.826 121.765 119.914 0.041 0.000 2.673 2192 V HA 0.183 4.303 4.120 -0.000 0.000 0.303 2192 V C 1.874 177.922 176.094 -0.077 0.000 1.046 2192 V CA 1.195 63.471 62.300 -0.039 0.000 1.126 2192 V CB 1.197 32.973 31.823 -0.079 0.000 0.934 2192 V HN 0.401 nan 8.190 nan 0.000 0.487 2193 M N 3.157 122.694 119.600 -0.104 0.000 2.287 2193 M HA 0.106 4.586 4.480 -0.000 0.000 0.266 2193 M C 0.649 176.848 176.300 -0.168 0.000 1.079 2193 M CA 1.019 56.242 55.300 -0.128 0.000 1.146 2193 M CB 0.008 32.553 32.600 -0.092 0.000 1.374 2193 M HN 0.965 nan 8.290 nan 0.000 0.435 2194 N N -1.757 116.822 118.700 -0.201 0.000 3.185 2194 N HA 0.122 4.861 4.740 -0.000 0.000 0.238 2194 N C -2.037 173.319 175.510 -0.256 0.000 1.451 2194 N CA -0.662 52.274 53.050 -0.189 0.000 0.888 2194 N CB 1.080 39.512 38.487 -0.092 0.000 1.413 2194 N HN -0.099 nan 8.380 nan 0.000 0.511 2195 Y N -0.066 120.182 120.300 -0.087 0.000 2.387 2195 Y HA 0.495 5.045 4.550 0.000 0.000 0.336 2195 Y C 0.461 176.305 175.900 -0.094 0.000 1.067 2195 Y CA -0.057 57.977 58.100 -0.109 0.000 1.114 2195 Y CB 1.521 39.899 38.460 -0.137 0.000 1.208 2195 Y HN 0.789 nan 8.280 nan 0.000 0.458 2196 E N -0.082 120.173 120.200 0.092 0.000 2.391 2196 E HA 0.526 4.876 4.350 -0.000 0.000 0.256 2196 E C -0.977 175.641 176.600 0.031 0.000 0.975 2196 E CA -0.737 55.691 56.400 0.047 0.000 0.881 2196 E CB 1.137 30.853 29.700 0.027 0.000 1.728 2196 E HN 0.465 nan 8.360 nan 0.000 0.446 2197 M N -0.623 118.990 119.600 0.022 0.000 2.340 2197 M HA 0.328 4.808 4.480 -0.000 0.000 0.345 2197 M C -0.129 176.176 176.300 0.008 0.000 1.008 2197 M CA 0.236 55.545 55.300 0.014 0.000 0.987 2197 M CB 0.711 33.325 32.600 0.025 0.000 1.598 2197 M HN 0.506 nan 8.290 nan 0.000 0.569 2198 E N -0.718 119.485 120.200 0.005 0.000 2.536 2198 E HA 0.070 4.420 4.350 -0.000 0.000 0.220 2198 E C 1.799 178.390 176.600 -0.016 0.000 0.876 2198 E CA 0.544 56.942 56.400 -0.003 0.000 1.190 2198 E CB 0.442 30.144 29.700 0.003 0.000 1.191 2198 E HN 0.303 nan 8.360 nan 0.000 0.557 2199 S N 0.753 116.444 115.700 -0.014 0.000 2.383 2199 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 2199 S C 2.225 176.810 174.600 -0.025 0.000 1.026 2199 S CA 0.859 59.046 58.200 -0.021 0.000 0.981 2199 S CB -0.220 62.970 63.200 -0.017 0.000 0.818 2199 S HN 0.216 nan 8.310 nan 0.000 0.472 2200 A N 1.905 124.714 122.820 -0.019 0.000 1.883 2200 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 2200 A C 2.453 180.031 177.584 -0.010 0.000 1.186 2200 A CA 2.305 54.338 52.037 -0.007 0.000 0.624 2200 A CB -1.792 17.210 19.000 0.004 0.000 0.822 2200 A HN 0.576 nan 8.150 nan 0.000 0.444 2201 T N -0.024 114.516 114.554 -0.022 0.000 2.674 2201 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 2201 T C 1.883 176.493 174.700 -0.149 0.000 1.039 2201 T CA 1.551 63.620 62.100 -0.052 0.000 1.150 2201 T CB -0.475 68.373 68.868 -0.034 0.000 0.864 2201 T HN 0.355 nan 8.240 nan 0.000 0.427 2202 L N 1.088 122.231 121.223 -0.134 0.000 1.970 2202 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 2202 L C 2.228 178.995 176.870 -0.173 0.000 1.071 2202 L CA 1.758 56.486 54.840 -0.186 0.000 0.751 2202 L CB -0.738 41.250 42.059 -0.117 0.000 0.889 2202 L HN 0.256 nan 8.230 nan 0.000 0.432 2203 L N -1.321 119.851 121.223 -0.085 0.000 2.093 2203 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 2203 L C 2.347 179.206 176.870 -0.018 0.000 1.085 2203 L CA 1.666 56.485 54.840 -0.035 0.000 0.755 2203 L CB -1.169 40.893 42.059 0.004 0.000 0.904 2203 L HN 0.325 nan 8.230 nan 0.000 0.435 2204 T N 0.581 115.120 114.554 -0.025 0.000 2.737 2204 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 2204 T C 1.872 176.477 174.700 -0.158 0.000 1.038 2204 T CA 1.793 63.899 62.100 0.010 0.000 1.144 2204 T CB -0.229 68.672 68.868 0.055 0.000 0.866 2204 T HN 0.438 nan 8.240 nan 0.000 0.434 2205 M N 0.255 119.626 119.600 -0.382 0.000 2.229 2205 M HA -0.015 4.465 4.480 -0.000 0.000 0.264 2205 M C 2.183 178.218 176.300 -0.441 0.000 1.063 2205 M CA 1.472 56.313 55.300 -0.764 0.000 1.114 2205 M CB -1.088 30.585 32.600 -1.546 0.000 1.387 2205 M HN 0.182 nan 8.290 nan 0.000 0.420 2206 C N 1.284 120.407 119.300 -0.295 0.000 2.500 2206 C HA 0.204 4.664 4.460 -0.000 0.000 0.279 2206 C C 3.276 178.243 174.990 -0.039 0.000 1.288 2206 C CA 0.921 59.843 59.018 -0.161 0.000 1.710 2206 C CB -1.056 26.613 27.740 -0.118 0.000 2.052 2206 C HN 0.758 nan 8.230 nan 0.000 0.488 2207 A N 1.017 123.851 122.820 0.023 0.000 2.019 2207 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 2207 A C 2.106 179.786 177.584 0.161 0.000 1.164 2207 A CA 2.064 54.193 52.037 0.153 0.000 0.644 2207 A CB -0.561 18.610 19.000 0.286 0.000 0.805 2207 A HN 0.711 nan 8.150 nan 0.000 0.449 2208 S N -1.994 113.670 115.700 -0.060 0.000 2.577 2208 S HA 0.205 4.675 4.470 -0.000 0.000 0.219 2208 S C 0.840 175.385 174.600 -0.092 0.000 0.962 2208 S CA 0.160 58.218 58.200 -0.236 0.000 0.921 2208 S CB 0.102 62.929 63.200 -0.622 0.000 0.789 2208 S HN 0.623 nan 8.310 nan 0.000 0.497 2209 Q N 0.135 119.913 119.800 -0.038 0.000 2.057 2209 Q HA 0.337 4.676 4.340 -0.000 0.000 0.216 2209 Q C 0.673 176.688 176.000 0.025 0.000 0.788 2209 Q CA 0.090 55.890 55.803 -0.006 0.000 1.053 2209 Q CB 1.136 29.862 28.738 -0.019 0.000 1.210 2209 Q HN 0.630 nan 8.270 nan 0.000 0.455 2210 G N 1.381 110.206 108.800 0.042 0.000 2.143 2210 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.248 2210 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.248 2210 G C -0.078 174.865 174.900 0.072 0.000 0.991 2210 G CA 0.151 45.286 45.100 0.059 0.000 0.689 2210 G HN 0.245 nan 8.290 nan 0.000 0.522 2211 L N -0.259 121.010 121.223 0.078 0.000 2.334 2211 L HA 0.655 4.995 4.340 -0.000 0.000 0.275 2211 L C 0.964 177.915 176.870 0.134 0.000 1.036 2211 L CA -1.136 53.784 54.840 0.135 0.000 0.807 2211 L CB 1.252 43.421 42.059 0.184 0.000 1.231 2211 L HN 0.049 nan 8.230 nan 0.000 0.438 2212 R N 1.774 122.370 120.500 0.161 0.000 2.297 2212 R HA 0.753 5.093 4.340 -0.000 0.000 0.308 2212 R C -0.707 175.700 176.300 0.179 0.000 1.029 2212 R CA -0.477 55.702 56.100 0.132 0.000 0.929 2212 R CB 1.508 31.861 30.300 0.089 0.000 1.046 2212 R HN 0.713 nan 8.270 nan 0.000 0.461 2213 A N 1.518 124.413 122.820 0.124 0.000 2.475 2213 A HA 0.849 5.169 4.320 -0.000 0.000 0.301 2213 A C -0.690 176.936 177.584 0.070 0.000 1.059 2213 A CA -0.639 51.469 52.037 0.119 0.000 0.710 2213 A CB 2.238 21.277 19.000 0.066 0.000 1.288 2213 A HN 0.767 nan 8.150 nan 0.000 0.408 2214 G N -0.313 108.524 108.800 0.061 0.000 2.694 2214 G HA2 0.676 4.636 3.960 -0.000 0.000 0.290 2214 G HA3 0.676 4.636 3.960 -0.000 0.000 0.290 2214 G C -1.209 173.708 174.900 0.029 0.000 1.386 2214 G CA -0.432 44.686 45.100 0.031 0.000 0.872 2214 G HN 1.121 nan 8.290 nan 0.000 0.475 2215 M N 0.966 120.575 119.600 0.015 0.000 2.371 2215 M HA 0.672 5.152 4.480 -0.000 0.000 0.287 2215 M C -2.027 174.279 176.300 0.009 0.000 1.149 2215 M CA -0.817 54.491 55.300 0.015 0.000 0.929 2215 M CB 2.316 34.922 32.600 0.011 0.000 1.683 2215 M HN 0.684 nan 8.290 nan 0.000 0.470 2216 V N 3.857 123.778 119.914 0.011 0.000 2.876 2216 V HA 1.040 5.160 4.120 -0.000 0.000 0.312 2216 V C -1.597 174.506 176.094 0.015 0.000 1.085 2216 V CA -0.011 62.296 62.300 0.011 0.000 0.945 2216 V CB 2.022 33.849 31.823 0.008 0.000 1.017 2216 V HN 1.080 nan 8.190 nan 0.000 0.428 2217 A N 3.724 126.555 122.820 0.018 0.000 2.549 2217 A HA 0.895 5.215 4.320 -0.000 0.000 0.297 2217 A C -0.256 177.343 177.584 0.024 0.000 1.061 2217 A CA -0.129 51.919 52.037 0.018 0.000 0.690 2217 A CB 1.803 20.811 19.000 0.014 0.000 1.287 2217 A HN 1.594 nan 8.150 nan 0.000 0.402 2218 G N 0.059 108.871 108.800 0.019 0.000 2.356 2218 G HA2 0.528 4.488 3.960 -0.000 0.000 0.298 2218 G HA3 0.528 4.488 3.960 -0.000 0.000 0.298 2218 G C -0.518 174.388 174.900 0.009 0.000 1.145 2218 G CA -0.354 44.756 45.100 0.017 0.000 0.850 2218 G HN 0.944 nan 8.290 nan 0.000 0.487 2219 V N 3.553 123.474 119.914 0.011 0.000 2.408 2219 V HA 0.156 4.276 4.120 -0.000 0.000 0.267 2219 V C 1.256 177.345 176.094 -0.009 0.000 1.047 2219 V CA -0.094 62.207 62.300 0.003 0.000 0.937 2219 V CB 0.765 32.592 31.823 0.006 0.000 0.999 2219 V HN 0.773 nan 8.190 nan 0.000 0.472 2220 I N 3.574 124.139 120.570 -0.008 0.000 4.181 2220 I HA 0.427 4.597 4.170 -0.000 0.000 0.331 2220 I C 0.256 176.369 176.117 -0.006 0.000 1.312 2220 I CA 0.030 61.323 61.300 -0.011 0.000 1.146 2220 I CB 0.949 38.944 38.000 -0.008 0.000 1.074 2220 I HN 0.441 nan 8.210 nan 0.000 0.402 2221 V N -1.534 118.378 119.914 -0.004 0.000 3.216 2221 V HA 0.637 4.757 4.120 -0.000 0.000 0.302 2221 V C -1.596 174.492 176.094 -0.010 0.000 1.286 2221 V CA -0.730 61.569 62.300 -0.002 0.000 1.048 2221 V CB 1.713 33.542 31.823 0.009 0.000 1.081 2221 V HN 0.272 nan 8.190 nan 0.000 0.442 2222 N N 0.805 119.499 118.700 -0.009 0.000 2.572 2222 N HA 0.335 5.075 4.740 -0.000 0.000 0.287 2222 N C 0.695 176.202 175.510 -0.005 0.000 1.136 2222 N CA -0.277 52.763 53.050 -0.018 0.000 0.900 2222 N CB 2.331 40.798 38.487 -0.034 0.000 1.484 2222 N HN 0.921 nan 8.380 nan 0.000 0.526 2223 R N 0.788 121.290 120.500 0.004 0.000 2.115 2223 R HA -0.073 4.267 4.340 -0.000 0.000 0.230 2223 R C 1.311 177.622 176.300 0.019 0.000 1.111 2223 R CA 1.853 57.962 56.100 0.015 0.000 0.976 2223 R CB -0.796 29.518 30.300 0.023 0.000 0.870 2223 R HN 0.520 nan 8.270 nan 0.000 0.445 2224 T N -1.530 113.031 114.554 0.012 0.000 2.915 2224 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 2224 T C 0.813 175.518 174.700 0.009 0.000 1.071 2224 T CA 0.597 62.704 62.100 0.012 0.000 1.132 2224 T CB -0.023 68.847 68.868 0.004 0.000 0.878 2224 T HN 0.451 nan 8.240 nan 0.000 0.479 2235 K N 0.389 120.758 120.400 -0.051 0.000 2.005 2235 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 2235 K C 1.513 178.072 176.600 -0.068 0.000 1.044 2235 K CA 2.134 58.393 56.287 -0.046 0.000 0.942 2235 K CB -0.057 32.423 32.500 -0.033 0.000 0.727 2235 K HN 0.473 nan 8.250 nan 0.000 0.439 2236 Q N 0.333 120.068 119.800 -0.107 0.000 2.061 2236 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 2236 Q C 2.039 177.800 176.000 -0.399 0.000 0.984 2236 Q CA 2.536 58.216 55.803 -0.206 0.000 0.846 2236 Q CB -0.916 27.674 28.738 -0.246 0.000 0.902 2236 Q HN 0.330 nan 8.270 nan 0.000 0.421 2237 T N 1.162 115.525 114.554 -0.318 0.000 2.635 2237 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 2237 T C 1.583 176.227 174.700 -0.093 0.000 1.040 2237 T CA 1.517 63.472 62.100 -0.241 0.000 1.156 2237 T CB -0.290 68.504 68.868 -0.124 0.000 0.863 2237 T HN 0.300 nan 8.240 nan 0.000 0.430 2238 E N 0.933 121.098 120.200 -0.059 0.000 2.021 2238 E HA -0.140 4.210 4.350 -0.000 0.000 0.200 2238 E C 2.689 179.301 176.600 0.020 0.000 1.015 2238 E CA 1.538 57.929 56.400 -0.015 0.000 0.824 2238 E CB -0.278 29.410 29.700 -0.021 0.000 0.762 2238 E HN 0.391 nan 8.360 nan 0.000 0.454 2239 S N -0.105 115.613 115.700 0.031 0.000 2.374 2239 S HA -0.207 4.263 4.470 -0.000 0.000 0.227 2239 S C 1.704 176.395 174.600 0.152 0.000 1.037 2239 S CA 1.193 59.441 58.200 0.079 0.000 1.024 2239 S CB -0.547 62.710 63.200 0.096 0.000 0.861 2239 S HN 0.396 nan 8.310 nan 0.000 0.456 2240 H N 0.944 120.005 119.070 -0.015 0.000 2.267 2240 H HA -0.088 4.468 4.556 -0.000 0.000 0.297 2240 H C 2.635 177.954 175.328 -0.015 0.000 1.080 2240 H CA 1.024 57.063 56.048 -0.015 0.000 1.278 2240 H CB -0.306 29.449 29.762 -0.012 0.000 1.365 2240 H HN 0.471 nan 8.280 nan 0.000 0.489 2241 A N 0.833 123.732 122.820 0.131 0.000 1.917 2241 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 2241 A C 2.712 180.316 177.584 0.033 0.000 1.182 2241 A CA 1.949 54.022 52.037 0.060 0.000 0.633 2241 A CB -0.933 18.090 19.000 0.038 0.000 0.819 2241 A HN 0.213 nan 8.150 nan 0.000 0.448 2242 V N -0.008 119.924 119.914 0.030 0.000 2.358 2242 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 2242 V C 2.403 178.497 176.094 0.000 0.000 1.047 2242 V CA 2.319 64.623 62.300 0.008 0.000 1.035 2242 V CB -0.715 31.107 31.823 -0.002 0.000 0.658 2242 V HN 0.568 nan 8.190 nan 0.000 0.452 2243 K N -0.001 120.402 120.400 0.004 0.000 2.057 2243 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 2243 K C 2.066 178.653 176.600 -0.022 0.000 1.049 2243 K CA 1.547 57.824 56.287 -0.017 0.000 0.931 2243 K CB -0.322 32.157 32.500 -0.035 0.000 0.714 2243 K HN 0.377 nan 8.250 nan 0.000 0.440 2244 I N 0.510 121.071 120.570 -0.015 0.000 2.163 2244 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 2244 I C 2.381 178.488 176.117 -0.016 0.000 1.085 2244 I CA 1.088 62.377 61.300 -0.018 0.000 1.347 2244 I CB -0.292 37.704 38.000 -0.007 0.000 1.044 2244 I HN 0.001 nan 8.210 nan 0.000 0.408 2245 V N 0.367 120.276 119.914 -0.008 0.000 2.515 2245 V HA -0.177 3.943 4.120 -0.000 0.000 0.250 2245 V C 2.295 178.381 176.094 -0.013 0.000 1.058 2245 V CA 1.435 63.730 62.300 -0.008 0.000 1.064 2245 V CB 0.223 32.047 31.823 0.000 0.000 0.675 2245 V HN 0.208 nan 8.190 nan 0.000 0.461 2246 V N -0.050 119.855 119.914 -0.015 0.000 2.323 2246 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 2246 V C 2.509 178.591 176.094 -0.020 0.000 1.041 2246 V CA 2.099 64.389 62.300 -0.017 0.000 1.025 2246 V CB -0.617 31.195 31.823 -0.018 0.000 0.656 2246 V HN 0.635 nan 8.190 nan 0.000 0.451 2247 E N 1.011 121.197 120.200 -0.024 0.000 2.110 2247 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 2247 E C 2.076 178.659 176.600 -0.028 0.000 0.988 2247 E CA 1.648 58.032 56.400 -0.027 0.000 0.804 2247 E CB -0.442 29.239 29.700 -0.033 0.000 0.745 2247 E HN 0.507 nan 8.360 nan 0.000 0.458 2248 A N 0.714 123.517 122.820 -0.029 0.000 1.898 2248 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 2248 A C 2.444 180.011 177.584 -0.029 0.000 1.181 2248 A CA 1.872 53.889 52.037 -0.032 0.000 0.620 2248 A CB -0.968 18.013 19.000 -0.032 0.000 0.819 2248 A HN 0.375 nan 8.150 nan 0.000 0.442 2249 A N -0.429 122.376 122.820 -0.024 0.000 1.978 2249 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 2249 A C 2.207 179.776 177.584 -0.025 0.000 1.170 2249 A CA 1.754 53.776 52.037 -0.025 0.000 0.636 2249 A CB -0.454 18.533 19.000 -0.022 0.000 0.810 2249 A HN 0.526 nan 8.150 nan 0.000 0.448 2250 R N -0.497 119.989 120.500 -0.023 0.000 2.096 2250 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 2250 R C 2.112 178.399 176.300 -0.021 0.000 1.127 2250 R CA 1.480 57.568 56.100 -0.021 0.000 0.968 2250 R CB -0.140 30.148 30.300 -0.019 0.000 0.861 2250 R HN 0.551 nan 8.270 nan 0.000 0.440 2251 R N -0.365 120.120 120.500 -0.025 0.000 2.307 2251 R HA 0.019 4.359 4.340 -0.000 0.000 0.199 2251 R C 1.147 177.432 176.300 -0.025 0.000 1.000 2251 R CA 0.593 56.678 56.100 -0.026 0.000 1.023 2251 R CB 0.198 30.478 30.300 -0.034 0.000 0.908 2251 R HN 0.220 nan 8.270 nan 0.000 0.473 2252 L N 0.264 121.471 121.223 -0.026 0.000 2.808 2252 L HA 0.261 4.601 4.340 -0.000 0.000 0.246 2252 L C 0.274 177.130 176.870 -0.023 0.000 1.153 2252 L CA -0.244 54.581 54.840 -0.024 0.000 0.956 2252 L CB 0.268 42.310 42.059 -0.027 0.000 1.270 2252 L HN 0.031 nan 8.230 nan 0.000 0.528 2253 L N 0.000 121.210 121.223 -0.022 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 2253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502