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 1rxs_1_l DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNXXX XXXXXSHAVK IVVEAARRLL 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 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.589 174.600 -0.018 0.000 1.055 2004 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 2004 S CB 0.000 63.159 63.200 -0.069 0.000 0.593 2005 D N 1.336 121.732 120.400 -0.006 0.000 2.346 2005 D HA 0.162 4.802 4.640 0.000 0.000 0.206 2005 D C 0.939 177.252 176.300 0.022 0.000 1.001 2005 D CA 1.373 55.378 54.000 0.009 0.000 0.871 2005 D CB 0.595 41.402 40.800 0.011 0.000 0.943 2005 D HN 0.608 nan 8.370 nan 0.000 0.518 2006 V N -2.197 117.725 119.914 0.013 0.000 2.864 2006 V HA 0.384 4.504 4.120 0.000 0.000 0.314 2006 V C 0.794 176.902 176.094 0.024 0.000 1.073 2006 V CA -1.037 61.286 62.300 0.039 0.000 0.956 2006 V CB 1.756 33.597 31.823 0.030 0.000 1.023 2006 V HN -0.107 nan 8.190 nan 0.000 0.435 2007 F N 0.972 120.870 119.950 -0.087 0.000 2.259 2007 F HA 0.033 4.560 4.527 0.000 0.000 0.298 2007 F C 1.842 177.439 175.800 -0.338 0.000 1.088 2007 F CA 2.243 60.116 58.000 -0.212 0.000 1.358 2007 F CB 0.192 39.044 39.000 -0.248 0.000 1.040 2007 F HN 0.836 nan 8.300 nan 0.000 0.505 2008 H N -1.412 117.558 119.070 -0.166 0.000 2.501 2008 H HA 0.230 4.786 4.556 0.000 0.000 0.281 2008 H C 1.925 177.135 175.328 -0.197 0.000 0.988 2008 H CA 0.786 56.699 56.048 -0.226 0.000 1.232 2008 H CB -0.055 29.599 29.762 -0.180 0.000 1.455 2008 H HN 0.091 nan 8.280 nan 0.000 0.501 2009 L N -0.082 121.095 121.223 -0.078 0.000 2.395 2009 L HA 0.134 4.474 4.340 0.000 0.000 0.218 2009 L C 1.018 177.950 176.870 0.103 0.000 1.130 2009 L CA 0.624 55.461 54.840 -0.005 0.000 0.826 2009 L CB -0.300 41.727 42.059 -0.053 0.000 0.941 2009 L HN 0.508 nan 8.230 nan 0.000 0.451 2010 G N 1.439 110.213 108.800 -0.043 0.000 2.314 2010 G HA2 -0.266 3.694 3.960 0.000 0.000 0.292 2010 G HA3 -0.266 3.694 3.960 0.000 0.000 0.292 2010 G C -0.210 174.721 174.900 0.052 0.000 1.059 2010 G CA 0.158 45.231 45.100 -0.044 0.000 0.982 2010 G HN 0.257 nan 8.290 nan 0.000 0.505 2011 L N -0.481 120.754 121.223 0.020 0.000 2.309 2011 L HA 0.879 5.219 4.340 0.000 0.000 0.261 2011 L C 0.715 177.589 176.870 0.007 0.000 1.021 2011 L CA -0.651 54.202 54.840 0.021 0.000 0.823 2011 L CB 2.421 44.497 42.059 0.028 0.000 1.366 2011 L HN 0.368 nan 8.230 nan 0.000 0.423 2012 T N -3.803 110.754 114.554 0.005 0.000 2.932 2012 T HA 0.328 4.678 4.350 0.000 0.000 0.289 2012 T C 0.692 175.395 174.700 0.004 0.000 1.039 2012 T CA -0.874 61.228 62.100 0.003 0.000 1.024 2012 T CB 2.114 70.982 68.868 -0.001 0.000 1.090 2012 T HN 0.470 nan 8.240 nan 0.000 0.496 2013 K N 0.643 121.046 120.400 0.005 0.000 2.089 2013 K HA -0.221 4.099 4.320 0.000 0.000 0.210 2013 K C 1.916 178.516 176.600 -0.000 0.000 1.048 2013 K CA 1.589 57.878 56.287 0.004 0.000 0.926 2013 K CB -0.419 32.084 32.500 0.005 0.000 0.714 2013 K HN 0.686 nan 8.250 nan 0.000 0.448 2014 N N 0.896 119.595 118.700 -0.002 0.000 2.188 2014 N HA -0.146 4.594 4.740 0.000 0.000 0.184 2014 N C 1.090 176.596 175.510 -0.007 0.000 1.018 2014 N CA 1.012 54.059 53.050 -0.005 0.000 0.858 2014 N CB 0.030 38.514 38.487 -0.005 0.000 0.989 2014 N HN 0.175 nan 8.380 nan 0.000 0.426 2015 D N 0.797 121.192 120.400 -0.007 0.000 2.182 2015 D HA -0.140 4.500 4.640 0.000 0.000 0.201 2015 D C 1.836 178.131 176.300 -0.009 0.000 0.986 2015 D CA 0.646 54.639 54.000 -0.011 0.000 0.847 2015 D CB -0.020 40.775 40.800 -0.009 0.000 0.942 2015 D HN 0.251 nan 8.370 nan 0.000 0.467 2016 L N 0.047 121.268 121.223 -0.004 0.000 2.240 2016 L HA 0.003 4.343 4.340 0.000 0.000 0.211 2016 L C 0.889 177.754 176.870 -0.007 0.000 1.106 2016 L CA 0.694 55.531 54.840 -0.005 0.000 0.793 2016 L CB -0.305 41.750 42.059 -0.006 0.000 0.927 2016 L HN 0.002 nan 8.230 nan 0.000 0.446 2017 Q N -0.501 119.295 119.800 -0.007 0.000 2.468 2017 Q HA -0.274 4.066 4.340 0.000 0.000 0.289 2017 Q C 1.044 177.039 176.000 -0.008 0.000 1.299 2017 Q CA 0.357 56.155 55.803 -0.007 0.000 0.838 2017 Q CB -1.605 27.129 28.738 -0.007 0.000 1.195 2017 Q HN 0.643 nan 8.270 nan 0.000 0.456 2018 G N -2.327 106.467 108.800 -0.010 0.000 2.176 2018 G HA2 -0.275 3.685 3.960 0.000 0.000 0.253 2018 G HA3 -0.275 3.685 3.960 0.000 0.000 0.253 2018 G C 0.264 175.152 174.900 -0.020 0.000 0.979 2018 G CA 0.111 45.204 45.100 -0.013 0.000 0.641 2018 G HN 1.188 nan 8.290 nan 0.000 0.530 2019 A N 0.365 123.171 122.820 -0.023 0.000 2.540 2019 A HA 0.567 4.887 4.320 0.000 0.000 0.239 2019 A C 1.477 179.029 177.584 -0.055 0.000 1.061 2019 A CA 1.937 53.952 52.037 -0.035 0.000 0.758 2019 A CB 0.196 19.177 19.000 -0.032 0.000 0.991 2019 A HN 1.697 nan 8.150 nan 0.000 0.502 2020 T N 0.098 114.609 114.554 -0.072 0.000 3.058 2020 T HA 0.398 4.748 4.350 0.000 0.000 0.278 2020 T C 0.051 174.650 174.700 -0.169 0.000 0.974 2020 T CA 0.042 62.081 62.100 -0.102 0.000 0.893 2020 T CB -0.454 68.374 68.868 -0.067 0.000 1.138 2020 T HN 0.549 nan 8.240 nan 0.000 0.529 2021 L N 1.755 122.883 121.223 -0.158 0.000 2.365 2021 L HA 0.876 5.216 4.340 0.000 0.000 0.273 2021 L C -1.325 175.426 176.870 -0.198 0.000 1.000 2021 L CA -0.981 53.739 54.840 -0.199 0.000 0.819 2021 L CB 1.826 43.816 42.059 -0.116 0.000 1.284 2021 L HN 0.218 nan 8.230 nan 0.000 0.418 2022 A N 5.804 128.457 122.820 -0.279 0.000 2.343 2022 A HA 0.669 4.989 4.320 0.000 0.000 0.308 2022 A C -0.880 176.674 177.584 -0.051 0.000 1.092 2022 A CA -0.535 51.411 52.037 -0.152 0.000 0.751 2022 A CB 0.944 19.844 19.000 -0.168 0.000 1.203 2022 A HN 0.680 nan 8.150 nan 0.000 0.452 2023 I N 2.636 123.207 120.570 0.002 0.000 2.371 2023 I HA 0.301 4.471 4.170 0.000 0.000 0.290 2023 I C 0.010 176.171 176.117 0.073 0.000 1.028 2023 I CA -0.333 60.988 61.300 0.035 0.000 1.345 2023 I CB 1.562 39.573 38.000 0.018 0.000 1.407 2023 I HN 0.455 nan 8.210 nan 0.000 0.501 2024 V N 6.055 126.029 119.914 0.101 0.000 2.250 2024 V HA 0.503 4.623 4.120 0.000 0.000 0.268 2024 V C -2.455 173.688 176.094 0.082 0.000 1.043 2024 V CA -1.910 60.462 62.300 0.121 0.000 0.814 2024 V CB 0.283 32.219 31.823 0.187 0.000 1.072 2024 V HN 0.467 nan 8.190 nan 0.000 0.451 2025 P HA 0.315 nan 4.420 nan 0.000 0.276 2025 P C 0.902 178.226 177.300 0.040 0.000 1.261 2025 P CA 0.247 63.369 63.100 0.037 0.000 0.800 2025 P CB 1.842 33.551 31.700 0.016 0.000 1.066 2026 G N -0.348 108.465 108.800 0.020 0.000 2.459 2026 G HA2 -0.052 3.908 3.960 0.000 0.000 0.213 2026 G HA3 -0.052 3.908 3.960 0.000 0.000 0.213 2026 G C 0.223 175.118 174.900 -0.009 0.000 1.155 2026 G CA 0.397 45.503 45.100 0.010 0.000 0.811 2026 G HN 0.525 nan 8.290 nan 0.000 0.534 2027 D N 0.346 120.737 120.400 -0.015 0.000 2.280 2027 D HA 0.295 4.935 4.640 0.000 0.000 0.243 2027 D C -1.267 175.020 176.300 -0.021 0.000 1.129 2027 D CA -2.521 51.461 54.000 -0.030 0.000 0.848 2027 D CB 2.095 42.874 40.800 -0.034 0.000 1.107 2027 D HN -0.070 nan 8.370 nan 0.000 0.471 2028 P HA -0.133 nan 4.420 nan 0.000 0.216 2028 P C 0.510 177.807 177.300 -0.005 0.000 1.150 2028 P CA 1.052 64.153 63.100 0.002 0.000 0.843 2028 P CB 0.304 31.999 31.700 -0.008 0.000 0.787 2029 D N -0.891 119.495 120.400 -0.024 0.000 2.348 2029 D HA -0.110 4.530 4.640 0.000 0.000 0.216 2029 D C 1.857 178.117 176.300 -0.067 0.000 0.970 2029 D CA 0.634 54.613 54.000 -0.036 0.000 0.889 2029 D CB -0.149 40.630 40.800 -0.034 0.000 0.912 2029 D HN 0.367 nan 8.370 nan 0.000 0.524 2030 R N 0.380 120.841 120.500 -0.065 0.000 2.362 2030 R HA 0.100 4.440 4.340 0.000 0.000 0.227 2030 R C 1.479 177.706 176.300 -0.121 0.000 0.905 2030 R CA 0.132 56.181 56.100 -0.086 0.000 1.067 2030 R CB -0.016 30.249 30.300 -0.057 0.000 1.078 2030 R HN -0.161 nan 8.270 nan 0.000 0.516 2031 V N 1.706 121.545 119.914 -0.124 0.000 2.237 2031 V HA -0.267 3.853 4.120 0.000 0.000 0.245 2031 V C 2.400 178.231 176.094 -0.439 0.000 1.046 2031 V CA 2.363 64.563 62.300 -0.166 0.000 1.007 2031 V CB -0.574 31.228 31.823 -0.035 0.000 0.638 2031 V HN 0.588 nan 8.190 nan 0.000 0.445 2032 E N 0.325 120.104 120.200 -0.701 0.000 2.085 2032 E HA -0.324 4.026 4.350 0.000 0.000 0.194 2032 E C 2.164 178.363 176.600 -0.669 0.000 0.994 2032 E CA 1.847 57.522 56.400 -1.209 0.000 0.801 2032 E CB -0.150 28.972 29.700 -0.963 0.000 0.743 2032 E HN 0.494 nan 8.360 nan 0.000 0.453 2033 K N 0.283 120.457 120.400 -0.378 0.000 2.063 2033 K HA -0.112 4.208 4.320 0.000 0.000 0.208 2033 K C 2.039 178.523 176.600 -0.194 0.000 1.048 2033 K CA 1.730 57.878 56.287 -0.233 0.000 0.928 2033 K CB -0.146 32.263 32.500 -0.151 0.000 0.713 2033 K HN 0.239 nan 8.250 nan 0.000 0.442 2034 I N 0.019 120.479 120.570 -0.184 0.000 2.163 2034 I HA -0.258 3.912 4.170 0.000 0.000 0.240 2034 I C 2.277 178.322 176.117 -0.121 0.000 1.081 2034 I CA 1.121 62.349 61.300 -0.120 0.000 1.353 2034 I CB -0.389 37.561 38.000 -0.084 0.000 1.054 2034 I HN 0.165 nan 8.210 nan 0.000 0.407 2035 A N 0.891 123.604 122.820 -0.179 0.000 1.948 2035 A HA -0.258 4.062 4.320 0.000 0.000 0.220 2035 A C 2.452 179.981 177.584 -0.092 0.000 1.177 2035 A CA 2.090 54.059 52.037 -0.112 0.000 0.636 2035 A CB -0.914 18.005 19.000 -0.135 0.000 0.815 2035 A HN 0.471 nan 8.150 nan 0.000 0.449 2036 A N -0.753 121.964 122.820 -0.171 0.000 2.121 2036 A HA 0.119 4.439 4.320 0.000 0.000 0.218 2036 A C 1.879 179.431 177.584 -0.054 0.000 1.154 2036 A CA 1.126 53.100 52.037 -0.105 0.000 0.679 2036 A CB -0.500 18.415 19.000 -0.142 0.000 0.795 2036 A HN 0.497 nan 8.150 nan 0.000 0.458 2037 L N -1.342 119.849 121.223 -0.053 0.000 2.554 2037 L HA 0.112 4.452 4.340 0.000 0.000 0.226 2037 L C 1.061 177.923 176.870 -0.014 0.000 1.137 2037 L CA 0.057 54.879 54.840 -0.030 0.000 0.863 2037 L CB -0.318 41.723 42.059 -0.031 0.000 0.985 2037 L HN 0.432 nan 8.230 nan 0.000 0.451 2038 M N -1.698 117.898 119.600 -0.007 0.000 2.840 2038 M HA 0.317 4.797 4.480 0.000 0.000 0.283 2038 M C -0.688 175.624 176.300 0.020 0.000 1.136 2038 M CA -0.814 54.491 55.300 0.008 0.000 0.857 2038 M CB 1.132 33.740 32.600 0.013 0.000 1.644 2038 M HN -0.187 nan 8.290 nan 0.000 0.520 2039 D N 1.187 121.602 120.400 0.025 0.000 2.225 2039 D HA 0.199 4.839 4.640 0.000 0.000 0.249 2039 D C -0.502 175.827 176.300 0.047 0.000 1.052 2039 D CA -0.125 53.893 54.000 0.030 0.000 0.909 2039 D CB 0.877 41.689 40.800 0.021 0.000 1.186 2039 D HN 0.437 nan 8.370 nan 0.000 0.431 2040 K N -0.374 120.057 120.400 0.051 0.000 3.278 2040 K HA -0.133 4.187 4.320 0.000 0.000 0.270 2040 K C -2.313 174.347 176.600 0.099 0.000 0.955 2040 K CA 0.130 56.453 56.287 0.060 0.000 0.723 2040 K CB -1.586 30.937 32.500 0.038 0.000 1.382 2040 K HN 0.387 nan 8.250 nan 0.000 0.461 2041 P HA 0.167 nan 4.420 nan 0.000 0.271 2041 P C -0.252 177.241 177.300 0.323 0.000 1.216 2041 P CA -0.082 63.201 63.100 0.304 0.000 0.771 2041 P CB 1.195 33.090 31.700 0.326 0.000 0.864 2042 V N 3.799 123.849 119.914 0.227 0.000 2.668 2042 V HA 0.229 4.349 4.120 0.000 0.000 0.304 2042 V C 0.272 175.950 176.094 -0.693 0.000 1.071 2042 V CA -0.864 61.312 62.300 -0.207 0.000 0.894 2042 V CB 2.189 33.943 31.823 -0.116 0.000 1.008 2042 V HN 0.501 nan 8.190 nan 0.000 0.425 2043 K N 3.695 123.200 120.400 -1.491 0.000 2.368 2043 K HA 0.395 4.715 4.320 0.000 0.000 0.282 2043 K C 0.205 176.401 176.600 -0.673 0.000 1.035 2043 K CA -0.157 55.135 56.287 -1.659 0.000 0.973 2043 K CB 0.804 32.438 32.500 -1.443 0.000 0.957 2043 K HN 0.645 nan 8.250 nan 0.000 0.474 2044 L N 2.535 123.496 121.223 -0.436 0.000 2.349 2044 L HA 0.306 4.646 4.340 0.000 0.000 0.200 2044 L C 0.409 177.198 176.870 -0.137 0.000 1.064 2044 L CA 0.098 54.817 54.840 -0.202 0.000 0.821 2044 L CB 0.473 42.476 42.059 -0.093 0.000 1.027 2044 L HN 0.732 nan 8.230 nan 0.000 0.476 2045 A N -1.106 121.646 122.820 -0.113 0.000 2.608 2045 A HA 0.620 4.940 4.320 0.000 0.000 0.292 2045 A C -1.200 176.336 177.584 -0.081 0.000 1.066 2045 A CA -0.289 51.704 52.037 -0.073 0.000 0.676 2045 A CB 1.720 20.758 19.000 0.064 0.000 1.277 2045 A HN -0.149 nan 8.150 nan 0.000 0.413 2046 S N 0.823 116.366 115.700 -0.261 0.000 2.750 2046 S HA 0.656 5.126 4.470 0.000 0.000 0.276 2046 S C -1.738 172.584 174.600 -0.462 0.000 1.165 2046 S CA -0.469 57.612 58.200 -0.197 0.000 1.047 2046 S CB 0.362 63.493 63.200 -0.116 0.000 1.056 2046 S HN 0.749 nan 8.310 nan 0.000 0.481 2047 H N 3.240 122.383 119.070 0.122 0.000 2.856 2047 H HA 0.511 5.067 4.556 0.000 0.000 0.355 2047 H C 0.506 175.925 175.328 0.151 0.000 1.079 2047 H CA -0.472 55.649 56.048 0.121 0.000 1.240 2047 H CB 1.612 31.449 29.762 0.126 0.000 1.701 2047 H HN 0.768 nan 8.280 nan 0.000 0.527 2048 R N 0.430 121.034 120.500 0.174 0.000 3.726 2048 R HA -0.241 4.099 4.340 0.000 0.000 0.510 2048 R C 1.216 177.441 176.300 -0.124 0.000 0.241 2048 R CA 1.942 58.059 56.100 0.027 0.000 1.592 2048 R CB -0.676 29.657 30.300 0.055 0.000 0.955 2048 R HN 0.777 nan 8.270 nan 0.000 0.585 2049 E N 1.723 121.673 120.200 -0.417 0.000 2.494 2049 E HA -0.027 4.323 4.350 0.000 0.000 0.193 2049 E C -0.262 176.080 176.600 -0.430 0.000 1.074 2049 E CA 0.726 56.856 56.400 -0.449 0.000 0.867 2049 E CB 0.062 29.453 29.700 -0.514 0.000 0.924 2049 E HN 0.307 nan 8.360 nan 0.000 0.502 2050 F N 1.678 121.670 119.950 0.070 0.000 2.313 2050 F HA 0.316 4.843 4.527 0.000 0.000 0.369 2050 F C 0.253 176.104 175.800 0.086 0.000 1.109 2050 F CA -0.553 57.497 58.000 0.084 0.000 1.132 2050 F CB 1.520 40.584 39.000 0.107 0.000 1.291 2050 F HN -0.335 nan 8.300 nan 0.000 0.496 2051 T N 2.159 116.850 114.554 0.229 0.000 2.779 2051 T HA 0.502 4.852 4.350 0.000 0.000 0.280 2051 T C -0.142 174.710 174.700 0.253 0.000 0.987 2051 T CA -0.516 61.707 62.100 0.205 0.000 0.966 2051 T CB 1.100 70.074 68.868 0.177 0.000 0.933 2051 T HN 0.419 nan 8.240 nan 0.000 0.442 2052 T N 3.561 118.257 114.554 0.237 0.000 2.812 2052 T HA 0.481 4.831 4.350 0.000 0.000 0.282 2052 T C -1.066 173.786 174.700 0.254 0.000 0.990 2052 T CA -0.628 61.609 62.100 0.227 0.000 0.960 2052 T CB 0.671 69.622 68.868 0.137 0.000 0.948 2052 T HN 0.437 nan 8.240 nan 0.000 0.438 2053 W N 1.812 123.127 121.300 0.025 0.000 2.719 2053 W HA 0.675 5.335 4.660 0.000 0.000 0.352 2053 W C 0.297 176.821 176.519 0.009 0.000 1.085 2053 W CA -1.157 56.196 57.345 0.013 0.000 1.187 2053 W CB 1.201 30.667 29.460 0.009 0.000 1.417 2053 W HN 0.383 nan 8.180 nan 0.000 0.557 2054 R N 1.474 122.091 120.500 0.195 0.000 2.637 2054 R HA 0.852 5.192 4.340 0.000 0.000 0.291 2054 R C -0.670 175.720 176.300 0.150 0.000 0.963 2054 R CA -0.357 55.816 56.100 0.122 0.000 0.901 2054 R CB 1.419 31.745 30.300 0.043 0.000 1.160 2054 R HN 0.643 nan 8.270 nan 0.000 0.457 2055 A N 2.598 125.483 122.820 0.108 0.000 2.524 2055 A HA 0.510 4.830 4.320 0.000 0.000 0.289 2055 A C -1.496 176.118 177.584 0.049 0.000 1.248 2055 A CA -0.679 51.412 52.037 0.091 0.000 0.712 2055 A CB 1.715 20.771 19.000 0.094 0.000 1.312 2055 A HN 0.717 nan 8.150 nan 0.000 0.441 2056 E N -0.644 119.579 120.200 0.038 0.000 2.222 2056 E HA 0.583 4.933 4.350 0.000 0.000 0.267 2056 E C -2.206 174.403 176.600 0.014 0.000 0.884 2056 E CA -0.579 55.833 56.400 0.021 0.000 0.764 2056 E CB 1.915 31.627 29.700 0.019 0.000 1.169 2056 E HN 0.438 nan 8.360 nan 0.000 0.413 2057 L N 4.252 125.479 121.223 0.006 0.000 2.404 2057 L HA 0.321 4.661 4.340 0.000 0.000 0.272 2057 L C -1.242 175.626 176.870 -0.003 0.000 0.980 2057 L CA -0.149 54.692 54.840 0.001 0.000 0.836 2057 L CB 1.479 43.536 42.059 -0.004 0.000 1.238 2057 L HN 0.609 nan 8.230 nan 0.000 0.408 2058 D N 4.532 124.931 120.400 -0.002 0.000 2.686 2058 D HA -0.202 4.438 4.640 0.000 0.000 0.235 2058 D C 1.183 177.482 176.300 -0.002 0.000 1.160 2058 D CA 1.584 55.582 54.000 -0.003 0.000 0.645 2058 D CB -0.941 39.856 40.800 -0.006 0.000 1.039 2058 D HN 1.196 nan 8.370 nan 0.000 0.423 2059 G N -0.923 107.877 108.800 0.000 0.000 2.168 2059 G HA2 -0.356 3.604 3.960 0.000 0.000 0.263 2059 G HA3 -0.356 3.604 3.960 0.000 0.000 0.263 2059 G C 0.233 175.132 174.900 -0.001 0.000 0.977 2059 G CA 0.745 45.845 45.100 0.000 0.000 0.659 2059 G HN 0.425 nan 8.290 nan 0.000 0.533 2060 K N 0.917 121.315 120.400 -0.002 0.000 2.221 2060 K HA 0.460 4.780 4.320 0.000 0.000 0.258 2060 K C -2.658 173.940 176.600 -0.003 0.000 0.944 2060 K CA -1.991 54.293 56.287 -0.005 0.000 0.823 2060 K CB 2.736 35.230 32.500 -0.010 0.000 1.113 2060 K HN 0.063 nan 8.250 nan 0.000 0.431 2061 P HA 0.143 nan 4.420 nan 0.000 0.271 2061 P C -0.535 176.760 177.300 -0.008 0.000 1.216 2061 P CA -0.281 62.819 63.100 -0.001 0.000 0.771 2061 P CB 0.841 32.539 31.700 -0.003 0.000 0.864 2062 V N 4.774 124.690 119.914 0.002 0.000 2.841 2062 V HA 0.356 4.476 4.120 0.000 0.000 0.310 2062 V C 0.133 176.236 176.094 0.014 0.000 1.090 2062 V CA -0.813 61.484 62.300 -0.006 0.000 0.930 2062 V CB 2.509 34.330 31.823 -0.004 0.000 1.014 2062 V HN 0.406 nan 8.190 nan 0.000 0.425 2063 I N 3.855 124.425 120.570 0.000 0.000 2.437 2063 I HA 0.501 4.671 4.170 0.000 0.000 0.298 2063 I C -0.306 175.841 176.117 0.051 0.000 0.984 2063 I CA -0.472 60.847 61.300 0.032 0.000 1.214 2063 I CB 1.919 39.925 38.000 0.009 0.000 1.365 2063 I HN 0.260 nan 8.210 nan 0.000 0.469 2064 V N 5.493 125.468 119.914 0.102 0.000 2.409 2064 V HA 0.394 4.514 4.120 0.000 0.000 0.291 2064 V C -0.389 175.791 176.094 0.143 0.000 1.020 2064 V CA -0.502 61.858 62.300 0.100 0.000 0.848 2064 V CB 1.966 33.833 31.823 0.073 0.000 0.990 2064 V HN 0.892 nan 8.190 nan 0.000 0.430 2065 C N 5.158 124.539 119.300 0.135 0.000 2.481 2065 C HA 0.745 5.205 4.460 0.000 0.000 0.324 2065 C C 0.498 175.593 174.990 0.175 0.000 1.170 2065 C CA -0.357 58.764 59.018 0.172 0.000 1.361 2065 C CB 1.145 28.988 27.740 0.171 0.000 1.977 2065 C HN 1.027 nan 8.230 nan 0.000 0.459 2066 S N 3.266 119.079 115.700 0.188 0.000 2.584 2066 S HA 0.418 4.888 4.470 0.000 0.000 0.273 2066 S C 0.877 175.611 174.600 0.223 0.000 1.311 2066 S CA 0.321 58.610 58.200 0.149 0.000 1.034 2066 S CB 1.386 64.636 63.200 0.083 0.000 0.939 2066 S HN 1.012 nan 8.310 nan 0.000 0.513 2067 T N -1.016 113.627 114.554 0.147 0.000 3.037 2067 T HA 0.513 4.863 4.350 0.000 0.000 0.251 2067 T C 1.236 175.955 174.700 0.032 0.000 1.079 2067 T CA 0.241 62.450 62.100 0.183 0.000 1.067 2067 T CB -0.954 67.984 68.868 0.117 0.000 0.948 2067 T HN 1.854 nan 8.240 nan 0.000 0.496 2068 G N 1.606 110.365 108.800 -0.069 0.000 2.750 2068 G HA2 -0.145 3.815 3.960 0.000 0.000 0.228 2068 G HA3 -0.145 3.815 3.960 0.000 0.000 0.228 2068 G C -0.580 174.283 174.900 -0.061 0.000 1.367 2068 G CA -0.455 44.566 45.100 -0.132 0.000 0.871 2068 G HN 0.630 nan 8.290 nan 0.000 0.560 2069 I N 2.237 122.768 120.570 -0.066 0.000 2.342 2069 I HA 0.539 4.709 4.170 0.000 0.000 0.291 2069 I C 1.045 177.149 176.117 -0.021 0.000 1.010 2069 I CA 0.935 62.213 61.300 -0.037 0.000 1.308 2069 I CB 0.590 38.561 38.000 -0.048 0.000 1.400 2069 I HN 1.962 nan 8.210 nan 0.000 0.488 2070 G N 3.882 112.680 108.800 -0.003 0.000 2.629 2070 G HA2 -0.079 3.881 3.960 0.000 0.000 0.686 2070 G HA3 -0.079 3.881 3.960 0.000 0.000 0.686 2070 G C 0.529 175.434 174.900 0.008 0.000 1.232 2070 G CA -0.485 44.617 45.100 0.003 0.000 0.803 2070 G HN 0.897 nan 8.290 nan 0.000 0.638 2071 G N 0.486 109.289 108.800 0.005 0.000 2.476 2071 G HA2 0.001 3.961 3.960 0.000 0.000 0.218 2071 G HA3 0.001 3.961 3.960 0.000 0.000 0.218 2071 G C 0.137 175.045 174.900 0.013 0.000 1.164 2071 G CA 2.255 47.358 45.100 0.006 0.000 0.768 2071 G HN 0.696 nan 8.290 nan 0.000 0.560 2072 P HA -0.114 nan 4.420 nan 0.000 0.214 2072 P C 2.483 179.814 177.300 0.052 0.000 1.163 2072 P CA 2.452 65.557 63.100 0.009 0.000 0.883 2072 P CB -0.240 31.458 31.700 -0.002 0.000 0.788 2073 S N -2.033 113.708 115.700 0.069 0.000 2.406 2073 S HA -0.114 4.356 4.470 0.000 0.000 0.228 2073 S C 1.955 176.695 174.600 0.234 0.000 1.020 2073 S CA 1.710 60.016 58.200 0.177 0.000 0.965 2073 S CB -1.982 61.253 63.200 0.059 0.000 0.798 2073 S HN 0.077 nan 8.310 nan 0.000 0.488 2074 T N 3.219 117.843 114.554 0.118 0.000 2.665 2074 T HA -0.162 4.188 4.350 0.000 0.000 0.268 2074 T C 2.348 177.058 174.700 0.016 0.000 1.035 2074 T CA 2.111 64.254 62.100 0.072 0.000 1.151 2074 T CB -0.858 68.019 68.868 0.015 0.000 0.862 2074 T HN 0.804 nan 8.240 nan 0.000 0.438 2075 S N 1.303 117.017 115.700 0.024 0.000 2.383 2075 S HA -0.078 4.392 4.470 0.000 0.000 0.229 2075 S C 2.085 176.695 174.600 0.017 0.000 1.030 2075 S CA 1.029 59.248 58.200 0.032 0.000 1.002 2075 S CB -0.811 62.503 63.200 0.190 0.000 0.829 2075 S HN 0.531 nan 8.310 nan 0.000 0.467 2076 I N 2.244 122.817 120.570 0.006 0.000 2.202 2076 I HA -0.113 4.057 4.170 0.000 0.000 0.242 2076 I C 3.151 179.159 176.117 -0.181 0.000 1.091 2076 I CA 1.101 62.341 61.300 -0.100 0.000 1.368 2076 I CB -0.801 37.058 38.000 -0.235 0.000 1.058 2076 I HN 0.438 nan 8.210 nan 0.000 0.410 2077 A N 0.607 123.330 122.820 -0.162 0.000 1.865 2077 A HA -0.176 4.144 4.320 0.000 0.000 0.217 2077 A C 2.431 179.994 177.584 -0.036 0.000 1.191 2077 A CA 2.072 54.026 52.037 -0.138 0.000 0.623 2077 A CB -1.070 17.985 19.000 0.093 0.000 0.826 2077 A HN 0.240 nan 8.150 nan 0.000 0.444 2078 V N 0.150 120.006 119.914 -0.097 0.000 2.295 2078 V HA -0.248 3.872 4.120 0.000 0.000 0.246 2078 V C 2.628 178.640 176.094 -0.137 0.000 1.049 2078 V CA 2.461 64.597 62.300 -0.273 0.000 1.024 2078 V CB -0.834 30.619 31.823 -0.617 0.000 0.648 2078 V HN 0.757 nan 8.190 nan 0.000 0.447 2079 E N 0.960 121.102 120.200 -0.096 0.000 2.070 2079 E HA -0.263 4.087 4.350 0.000 0.000 0.197 2079 E C 2.074 178.697 176.600 0.039 0.000 1.004 2079 E CA 2.132 58.527 56.400 -0.010 0.000 0.805 2079 E CB -0.300 29.428 29.700 0.047 0.000 0.744 2079 E HN 0.691 nan 8.360 nan 0.000 0.451 2080 E N -0.368 119.847 120.200 0.024 0.000 2.158 2080 E HA -0.051 4.299 4.350 0.000 0.000 0.191 2080 E C 2.253 178.891 176.600 0.063 0.000 0.982 2080 E CA 0.723 57.144 56.400 0.035 0.000 0.823 2080 E CB -0.069 29.630 29.700 -0.002 0.000 0.766 2080 E HN 0.297 nan 8.360 nan 0.000 0.468 2081 L N 0.643 121.932 121.223 0.110 0.000 2.093 2081 L HA -0.154 4.186 4.340 0.000 0.000 0.208 2081 L C 2.575 179.557 176.870 0.186 0.000 1.085 2081 L CA 0.924 55.863 54.840 0.166 0.000 0.755 2081 L CB -0.416 41.821 42.059 0.296 0.000 0.904 2081 L HN 0.142 nan 8.230 nan 0.000 0.435 2082 A N -0.519 122.461 122.820 0.267 0.000 1.902 2082 A HA -0.259 4.061 4.320 0.000 0.000 0.217 2082 A C 2.218 179.867 177.584 0.108 0.000 1.181 2082 A CA 1.543 53.711 52.037 0.218 0.000 0.623 2082 A CB -0.466 18.647 19.000 0.189 0.000 0.818 2082 A HN 0.463 nan 8.150 nan 0.000 0.443 2083 Q N -1.174 118.677 119.800 0.084 0.000 2.135 2083 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 2083 Q C 1.505 177.532 176.000 0.045 0.000 0.981 2083 Q CA 1.040 56.878 55.803 0.057 0.000 0.856 2083 Q CB -0.193 28.576 28.738 0.052 0.000 0.902 2083 Q HN 0.472 nan 8.270 nan 0.000 0.425 2084 L N -1.391 119.859 121.223 0.046 0.000 2.478 2084 L HA 0.068 4.408 4.340 0.000 0.000 0.223 2084 L C 1.404 178.284 176.870 0.016 0.000 1.140 2084 L CA 1.684 56.541 54.840 0.028 0.000 0.842 2084 L CB -0.180 41.895 42.059 0.026 0.000 0.953 2084 L HN 0.411 nan 8.230 nan 0.000 0.452 2085 G N -1.567 107.246 108.800 0.021 0.000 2.205 2085 G HA2 -0.174 3.786 3.960 0.000 0.000 0.180 2085 G HA3 -0.174 3.786 3.960 0.000 0.000 0.180 2085 G C 0.343 175.226 174.900 -0.029 0.000 1.004 2085 G CA -0.421 44.681 45.100 0.003 0.000 0.670 2085 G HN 0.067 nan 8.290 nan 0.000 0.496 2086 I N 1.140 121.678 120.570 -0.053 0.000 2.618 2086 I HA 0.289 4.459 4.170 0.000 0.000 0.284 2086 I C 1.326 177.345 176.117 -0.163 0.000 1.146 2086 I CA 0.336 61.511 61.300 -0.208 0.000 1.425 2086 I CB 0.920 38.670 38.000 -0.416 0.000 1.383 2086 I HN 0.107 nan 8.210 nan 0.000 0.562 2087 R N 2.928 123.305 120.500 -0.205 0.000 2.469 2087 R HA 0.195 4.535 4.340 0.000 0.000 0.250 2087 R C -0.266 175.996 176.300 -0.063 0.000 0.909 2087 R CA 0.186 56.257 56.100 -0.049 0.000 1.050 2087 R CB 0.626 30.918 30.300 -0.013 0.000 1.256 2087 R HN 0.539 nan 8.270 nan 0.000 0.550 2088 T N 1.281 115.667 114.554 -0.279 0.000 2.881 2088 T HA 0.546 4.896 4.350 0.000 0.000 0.291 2088 T C -1.000 173.481 174.700 -0.366 0.000 0.990 2088 T CA -0.312 61.692 62.100 -0.160 0.000 0.976 2088 T CB 1.169 69.979 68.868 -0.097 0.000 0.970 2088 T HN -0.146 nan 8.240 nan 0.000 0.438 2089 F N 2.837 122.784 119.950 -0.006 0.000 2.449 2089 F HA 0.568 5.095 4.527 0.000 0.000 0.342 2089 F C -0.112 175.685 175.800 -0.005 0.000 1.127 2089 F CA -1.067 56.931 58.000 -0.005 0.000 0.975 2089 F CB 1.281 40.274 39.000 -0.012 0.000 1.146 2089 F HN 0.203 nan 8.300 nan 0.000 0.444 2090 L N 4.500 125.804 121.223 0.135 0.000 2.294 2090 L HA 0.503 4.843 4.340 0.000 0.000 0.283 2090 L C -0.035 176.887 176.870 0.087 0.000 1.015 2090 L CA -0.648 54.242 54.840 0.083 0.000 0.831 2090 L CB 1.640 43.719 42.059 0.033 0.000 1.217 2090 L HN 0.600 nan 8.230 nan 0.000 0.420 2091 R N 4.121 124.667 120.500 0.077 0.000 2.308 2091 R HA 0.463 4.803 4.340 0.000 0.000 0.305 2091 R C -0.989 175.334 176.300 0.038 0.000 1.053 2091 R CA -0.459 55.677 56.100 0.060 0.000 0.957 2091 R CB 1.235 31.564 30.300 0.048 0.000 1.022 2091 R HN 0.482 nan 8.270 nan 0.000 0.461 2092 I N 4.305 124.896 120.570 0.034 0.000 2.418 2092 I HA 0.487 4.657 4.170 0.000 0.000 0.287 2092 I C -0.661 175.468 176.117 0.021 0.000 1.008 2092 I CA -0.051 61.263 61.300 0.023 0.000 1.104 2092 I CB 1.269 39.278 38.000 0.016 0.000 1.264 2092 I HN 0.858 nan 8.210 nan 0.000 0.438 2093 G N 4.644 113.456 108.800 0.020 0.000 2.818 2093 G HA2 0.665 4.625 3.960 0.000 0.000 0.286 2093 G HA3 0.665 4.625 3.960 0.000 0.000 0.286 2093 G C -0.786 174.127 174.900 0.022 0.000 1.364 2093 G CA -0.419 44.693 45.100 0.020 0.000 0.938 2093 G HN 0.574 nan 8.290 nan 0.000 0.490 2094 T N -2.627 111.942 114.554 0.025 0.000 2.929 2094 T HA 0.727 5.077 4.350 0.000 0.000 0.284 2094 T C -0.176 174.550 174.700 0.043 0.000 1.014 2094 T CA -0.532 61.587 62.100 0.032 0.000 1.051 2094 T CB 1.963 70.850 68.868 0.032 0.000 1.028 2094 T HN 0.860 nan 8.240 nan 0.000 0.485 2095 T N -0.281 114.298 114.554 0.042 0.000 2.853 2095 T HA 0.649 4.999 4.350 0.000 0.000 0.311 2095 T C -0.555 174.167 174.700 0.037 0.000 1.307 2095 T CA -0.434 61.691 62.100 0.042 0.000 1.019 2095 T CB 1.335 70.218 68.868 0.026 0.000 1.264 2095 T HN 1.151 nan 8.240 nan 0.000 0.497 2096 G N 1.520 110.343 108.800 0.038 0.000 2.370 2096 G HA2 0.651 4.611 3.960 0.000 0.000 0.317 2096 G HA3 0.651 4.611 3.960 0.000 0.000 0.317 2096 G C 0.001 174.908 174.900 0.013 0.000 1.162 2096 G CA -0.202 44.916 45.100 0.029 0.000 0.922 2096 G HN 0.987 nan 8.290 nan 0.000 0.454 2097 A N 2.121 124.929 122.820 -0.020 0.000 2.371 2097 A HA 0.555 4.875 4.320 0.000 0.000 0.257 2097 A C 1.076 178.622 177.584 -0.063 0.000 1.089 2097 A CA -0.401 51.593 52.037 -0.072 0.000 0.794 2097 A CB 0.287 19.224 19.000 -0.105 0.000 1.029 2097 A HN 1.283 nan 8.150 nan 0.000 0.488 2098 I N -2.242 118.265 120.570 -0.104 0.000 4.154 2098 I HA 0.249 4.419 4.170 0.000 0.000 0.334 2098 I C -0.144 175.928 176.117 -0.074 0.000 1.371 2098 I CA -0.307 60.952 61.300 -0.068 0.000 1.110 2098 I CB 0.231 38.171 38.000 -0.100 0.000 1.085 2098 I HN 0.317 nan 8.210 nan 0.000 0.398 2099 Q N 2.880 122.592 119.800 -0.146 0.000 2.256 2099 Q HA 0.378 4.718 4.340 0.000 0.000 0.257 2099 Q C -1.799 174.097 176.000 -0.174 0.000 0.936 2099 Q CA -2.157 53.549 55.803 -0.161 0.000 0.903 2099 Q CB 1.790 30.337 28.738 -0.317 0.000 1.263 2099 Q HN 0.046 nan 8.270 nan 0.000 0.440 2100 P HA -0.151 nan 4.420 nan 0.000 0.222 2100 P C 0.711 178.011 177.300 -0.001 0.000 1.147 2100 P CA 1.412 64.510 63.100 -0.004 0.000 0.790 2100 P CB 0.161 31.890 31.700 0.050 0.000 0.780 2101 H N -1.485 117.552 119.070 -0.055 0.000 2.553 2101 H HA 0.246 4.802 4.556 0.000 0.000 0.265 2101 H C 0.622 175.905 175.328 -0.075 0.000 0.964 2101 H CA -0.338 55.682 56.048 -0.046 0.000 1.156 2101 H CB -0.506 29.235 29.762 -0.035 0.000 1.411 2101 H HN 0.121 nan 8.280 nan 0.000 0.558 2102 I N 3.258 123.523 120.570 -0.508 0.000 2.325 2102 I HA 0.058 4.228 4.170 0.000 0.000 0.291 2102 I C -0.198 175.850 176.117 -0.116 0.000 1.019 2102 I CA -0.444 60.626 61.300 -0.383 0.000 1.302 2102 I CB 0.802 38.475 38.000 -0.545 0.000 1.401 2102 I HN 0.086 nan 8.210 nan 0.000 0.485 2103 N N 5.085 123.789 118.700 0.007 0.000 2.489 2103 N HA 0.304 5.044 4.740 0.000 0.000 0.284 2103 N C -0.502 175.024 175.510 0.027 0.000 1.158 2103 N CA -0.611 52.453 53.050 0.024 0.000 0.965 2103 N CB 1.931 40.449 38.487 0.052 0.000 1.195 2103 N HN 0.171 nan 8.380 nan 0.000 0.506 2104 V N 0.973 120.898 119.914 0.019 0.000 2.557 2104 V HA 0.218 4.338 4.120 0.000 0.000 0.301 2104 V C 1.482 177.592 176.094 0.026 0.000 1.026 2104 V CA 1.621 63.933 62.300 0.019 0.000 1.137 2104 V CB 0.114 31.945 31.823 0.014 0.000 0.917 2104 V HN 1.062 nan 8.190 nan 0.000 0.484 2105 G N 3.975 112.793 108.800 0.030 0.000 2.259 2105 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 2105 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 2105 G C -0.005 174.941 174.900 0.077 0.000 1.001 2105 G CA -0.013 45.108 45.100 0.034 0.000 0.627 2105 G HN 0.660 nan 8.290 nan 0.000 0.501 2106 D N 0.202 120.653 120.400 0.085 0.000 2.362 2106 D HA 0.468 5.108 4.640 0.000 0.000 0.238 2106 D C 0.507 176.864 176.300 0.096 0.000 1.212 2106 D CA 0.230 54.295 54.000 0.109 0.000 0.902 2106 D CB 1.527 42.431 40.800 0.174 0.000 1.180 2106 D HN 0.244 nan 8.370 nan 0.000 0.445 2107 V N 1.981 121.940 119.914 0.076 0.000 2.417 2107 V HA 0.357 4.477 4.120 0.000 0.000 0.291 2107 V C -0.071 176.057 176.094 0.056 0.000 1.024 2107 V CA -0.709 61.622 62.300 0.051 0.000 0.861 2107 V CB 1.308 33.141 31.823 0.016 0.000 0.985 2107 V HN 0.269 nan 8.190 nan 0.000 0.436 2108 L N 5.355 126.609 121.223 0.052 0.000 2.333 2108 L HA 0.639 4.979 4.340 0.000 0.000 0.280 2108 L C -0.734 176.153 176.870 0.028 0.000 1.004 2108 L CA -0.787 54.087 54.840 0.056 0.000 0.820 2108 L CB 2.023 44.109 42.059 0.045 0.000 1.247 2108 L HN 0.327 nan 8.230 nan 0.000 0.416 2109 V N 1.921 121.850 119.914 0.025 0.000 2.370 2109 V HA 0.291 4.411 4.120 0.000 0.000 0.283 2109 V C 0.290 176.391 176.094 0.011 0.000 1.023 2109 V CA -0.384 61.921 62.300 0.009 0.000 0.857 2109 V CB 1.785 33.604 31.823 -0.005 0.000 0.985 2109 V HN 0.728 nan 8.190 nan 0.000 0.443 2110 T N 3.668 118.225 114.554 0.006 0.000 2.749 2110 T HA 0.199 4.549 4.350 0.000 0.000 0.295 2110 T C 1.324 176.029 174.700 0.009 0.000 0.936 2110 T CA 0.218 62.319 62.100 0.002 0.000 1.060 2110 T CB 1.190 70.055 68.868 -0.004 0.000 0.904 2110 T HN 0.965 nan 8.240 nan 0.000 0.500 2111 T N 0.802 115.363 114.554 0.013 0.000 2.976 2111 T HA 0.494 4.844 4.350 0.000 0.000 0.257 2111 T C 0.731 175.445 174.700 0.022 0.000 1.051 2111 T CA 0.239 62.355 62.100 0.026 0.000 1.141 2111 T CB 0.198 69.088 68.868 0.036 0.000 0.881 2111 T HN 0.732 nan 8.240 nan 0.000 0.461 2112 A N 0.036 122.860 122.820 0.006 0.000 2.601 2112 A HA 0.701 5.021 4.320 0.000 0.000 0.291 2112 A C -1.068 176.502 177.584 -0.024 0.000 1.075 2112 A CA -0.828 51.209 52.037 -0.001 0.000 0.671 2112 A CB 1.378 20.376 19.000 -0.002 0.000 1.277 2112 A HN 0.194 nan 8.150 nan 0.000 0.417 2113 S N -0.269 115.415 115.700 -0.026 0.000 2.513 2113 S HA 0.574 5.044 4.470 0.000 0.000 0.299 2113 S C -0.386 174.163 174.600 -0.084 0.000 1.087 2113 S CA -0.528 57.636 58.200 -0.060 0.000 1.012 2113 S CB 1.661 64.837 63.200 -0.041 0.000 1.044 2113 S HN 0.876 nan 8.310 nan 0.000 0.485 2114 V N 3.464 123.273 119.914 -0.176 0.000 2.485 2114 V HA 0.157 4.277 4.120 0.000 0.000 0.287 2114 V C 0.619 176.629 176.094 -0.140 0.000 1.022 2114 V CA 0.110 62.265 62.300 -0.242 0.000 1.067 2114 V CB -0.215 31.247 31.823 -0.601 0.000 0.967 2114 V HN 0.690 nan 8.190 nan 0.000 0.479 2115 R N 5.364 125.839 120.500 -0.042 0.000 2.608 2115 R HA 0.340 4.680 4.340 0.000 0.000 0.277 2115 R C -0.035 176.311 176.300 0.077 0.000 1.341 2115 R CA -0.145 55.973 56.100 0.029 0.000 1.199 2115 R CB 0.105 30.447 30.300 0.070 0.000 1.156 2115 R HN 0.675 nan 8.270 nan 0.000 0.558 2116 L N 2.525 123.799 121.223 0.085 0.000 2.978 2116 L HA 0.167 4.507 4.340 0.000 0.000 0.239 2116 L C 0.154 177.121 176.870 0.162 0.000 1.293 2116 L CA -0.295 54.665 54.840 0.201 0.000 1.085 2116 L CB -0.653 41.570 42.059 0.274 0.000 1.432 2116 L HN 0.512 nan 8.230 nan 0.000 0.512 2117 D N -1.347 119.119 120.400 0.111 0.000 2.497 2117 D HA 0.307 4.947 4.640 0.000 0.000 0.243 2117 D C 0.717 177.062 176.300 0.074 0.000 1.039 2117 D CA -0.392 53.653 54.000 0.076 0.000 1.052 2117 D CB 2.020 42.848 40.800 0.047 0.000 1.344 2117 D HN -0.056 nan 8.370 nan 0.000 0.553 2118 G N -0.843 107.978 108.800 0.035 0.000 2.651 2118 G HA2 0.185 4.145 3.960 0.000 0.000 0.207 2118 G HA3 0.185 4.145 3.960 0.000 0.000 0.207 2118 G C 1.332 176.190 174.900 -0.070 0.000 1.131 2118 G CA 0.646 45.757 45.100 0.019 0.000 0.816 2118 G HN 0.611 nan 8.290 nan 0.000 0.534 2119 A N 1.722 124.461 122.820 -0.134 0.000 1.933 2119 A HA -0.018 4.302 4.320 0.000 0.000 0.218 2119 A C 2.699 180.299 177.584 0.026 0.000 1.175 2119 A CA 2.449 54.345 52.037 -0.236 0.000 0.628 2119 A CB -0.736 18.218 19.000 -0.077 0.000 0.814 2119 A HN 0.726 nan 8.150 nan 0.000 0.444 2120 S N 0.399 116.167 115.700 0.114 0.000 2.383 2120 S HA -0.156 4.314 4.470 0.000 0.000 0.229 2120 S C 1.780 176.504 174.600 0.207 0.000 1.030 2120 S CA 1.534 59.857 58.200 0.205 0.000 1.002 2120 S CB -0.882 62.396 63.200 0.131 0.000 0.829 2120 S HN 0.457 nan 8.310 nan 0.000 0.467 2121 L N 0.904 122.227 121.223 0.167 0.000 2.349 2121 L HA -0.099 4.241 4.340 0.000 0.000 0.220 2121 L C 2.343 179.303 176.870 0.151 0.000 1.130 2121 L CA 1.392 56.331 54.840 0.164 0.000 0.791 2121 L CB -0.824 41.337 42.059 0.170 0.000 0.918 2121 L HN 0.537 nan 8.230 nan 0.000 0.444 2122 H N -2.077 116.906 119.070 -0.145 0.000 2.547 2122 H HA 0.028 4.584 4.556 0.000 0.000 0.266 2122 H C 1.276 176.203 175.328 -0.668 0.000 0.988 2122 H CA 0.303 56.113 56.048 -0.397 0.000 1.147 2122 H CB 0.400 29.854 29.762 -0.513 0.000 1.365 2122 H HN 0.331 nan 8.280 nan 0.000 0.589 2123 F N -0.065 119.905 119.950 0.034 0.000 2.619 2123 F HA 0.423 4.950 4.527 0.000 0.000 0.281 2123 F C 0.935 176.643 175.800 -0.154 0.000 1.065 2123 F CA 0.016 57.975 58.000 -0.069 0.000 1.304 2123 F CB 0.855 39.795 39.000 -0.100 0.000 1.059 2123 F HN -0.041 nan 8.300 nan 0.000 0.648 2124 A N 0.257 123.089 122.820 0.019 0.000 2.572 2124 A HA 0.670 4.990 4.320 0.000 0.000 0.295 2124 A C -2.752 174.848 177.584 0.027 0.000 1.072 2124 A CA -1.512 50.466 52.037 -0.099 0.000 0.691 2124 A CB 0.721 19.440 19.000 -0.468 0.000 1.291 2124 A HN -0.175 nan 8.150 nan 0.000 0.404 2125 P HA 0.137 nan 4.420 nan 0.000 0.273 2125 P C 0.824 178.206 177.300 0.136 0.000 1.250 2125 P CA -0.340 62.811 63.100 0.085 0.000 0.793 2125 P CB 0.641 32.388 31.700 0.078 0.000 1.011 2126 L N 1.255 122.546 121.223 0.113 0.000 2.131 2126 L HA -0.173 4.167 4.340 0.000 0.000 0.210 2126 L C 2.186 179.137 176.870 0.135 0.000 1.092 2126 L CA 1.806 56.718 54.840 0.121 0.000 0.759 2126 L CB -1.390 40.726 42.059 0.095 0.000 0.903 2126 L HN 0.443 nan 8.230 nan 0.000 0.435 2127 E N -1.001 119.275 120.200 0.127 0.000 2.409 2127 E HA -0.252 4.098 4.350 0.000 0.000 0.198 2127 E C 0.697 177.370 176.600 0.122 0.000 1.024 2127 E CA 0.139 56.602 56.400 0.105 0.000 0.861 2127 E CB -0.759 28.991 29.700 0.084 0.000 0.788 2127 E HN 0.445 nan 8.360 nan 0.000 0.521 2128 F N 3.959 123.932 119.950 0.039 0.000 2.427 2128 F HA 0.240 4.767 4.527 0.000 0.000 0.352 2128 F C -2.047 173.773 175.800 0.034 0.000 1.100 2128 F CA -2.664 55.358 58.000 0.037 0.000 1.191 2128 F CB 0.815 39.843 39.000 0.046 0.000 1.128 2128 F HN -0.170 nan 8.300 nan 0.000 0.533 2129 P HA 0.147 nan 4.420 nan 0.000 0.281 2129 P C -1.190 176.159 177.300 0.083 0.000 1.252 2129 P CA -0.399 62.643 63.100 -0.096 0.000 0.778 2129 P CB 1.313 32.885 31.700 -0.213 0.000 0.895 2130 A N 3.950 126.835 122.820 0.109 0.000 3.063 2130 A HA 0.248 4.568 4.320 0.000 0.000 0.263 2130 A C 0.281 177.905 177.584 0.067 0.000 1.736 2130 A CA -0.343 51.766 52.037 0.121 0.000 1.408 2130 A CB -0.961 18.084 19.000 0.075 0.000 1.108 2130 A HN 0.466 nan 8.150 nan 0.000 0.621 2131 V N 1.855 121.812 119.914 0.072 0.000 2.481 2131 V HA 0.663 4.783 4.120 0.000 0.000 0.286 2131 V C 0.669 176.801 176.094 0.063 0.000 1.042 2131 V CA -0.186 62.139 62.300 0.042 0.000 0.928 2131 V CB 1.239 33.063 31.823 0.003 0.000 0.986 2131 V HN 0.888 nan 8.190 nan 0.000 0.462 2132 A N 4.358 127.210 122.820 0.054 0.000 2.332 2132 A HA 0.365 4.685 4.320 0.000 0.000 0.258 2132 A C 0.111 177.745 177.584 0.084 0.000 1.087 2132 A CA -0.206 51.866 52.037 0.059 0.000 0.802 2132 A CB 0.128 19.153 19.000 0.042 0.000 1.042 2132 A HN 1.037 nan 8.150 nan 0.000 0.489 2133 D N 0.114 120.564 120.400 0.083 0.000 2.455 2133 D HA 0.085 4.725 4.640 0.000 0.000 0.241 2133 D C 0.673 177.044 176.300 0.118 0.000 1.138 2133 D CA 0.110 54.174 54.000 0.107 0.000 0.877 2133 D CB 0.140 40.992 40.800 0.088 0.000 1.187 2133 D HN 0.411 nan 8.370 nan 0.000 0.451 2134 F N 2.842 122.802 119.950 0.017 0.000 2.186 2134 F HA -0.083 4.444 4.527 0.000 0.000 0.299 2134 F C 1.824 177.630 175.800 0.010 0.000 1.090 2134 F CA 1.288 59.295 58.000 0.010 0.000 1.307 2134 F CB 0.160 39.164 39.000 0.007 0.000 1.019 2134 F HN 0.529 nan 8.300 nan 0.000 0.489 2135 E N -0.515 119.653 120.200 -0.053 0.000 2.072 2135 E HA -0.211 4.139 4.350 0.000 0.000 0.191 2135 E C 2.340 178.849 176.600 -0.152 0.000 0.985 2135 E CA 1.458 57.774 56.400 -0.140 0.000 0.801 2135 E CB -0.438 29.262 29.700 -0.000 0.000 0.750 2135 E HN 0.441 nan 8.360 nan 0.000 0.452 2136 C N 0.449 119.704 119.300 -0.074 0.000 2.432 2136 C HA -0.121 4.339 4.460 0.000 0.000 0.277 2136 C C 2.877 177.811 174.990 -0.093 0.000 1.249 2136 C CA 1.181 60.165 59.018 -0.056 0.000 1.725 2136 C CB -0.960 26.778 27.740 -0.003 0.000 2.028 2136 C HN 0.512 nan 8.230 nan 0.000 0.477 2137 T N 0.630 115.116 114.554 -0.114 0.000 2.684 2137 T HA -0.182 4.168 4.350 0.000 0.000 0.267 2137 T C 1.786 176.369 174.700 -0.195 0.000 1.036 2137 T CA 2.260 64.285 62.100 -0.124 0.000 1.148 2137 T CB -0.582 68.232 68.868 -0.090 0.000 0.863 2137 T HN 0.607 nan 8.240 nan 0.000 0.436 2138 T N 2.037 116.378 114.554 -0.355 0.000 2.684 2138 T HA -0.095 4.255 4.350 0.000 0.000 0.267 2138 T C 2.387 176.972 174.700 -0.192 0.000 1.036 2138 T CA 1.300 63.191 62.100 -0.347 0.000 1.148 2138 T CB -0.666 67.881 68.868 -0.536 0.000 0.863 2138 T HN 0.450 nan 8.240 nan 0.000 0.436 2139 A N 1.219 123.944 122.820 -0.160 0.000 1.883 2139 A HA -0.067 4.253 4.320 0.000 0.000 0.217 2139 A C 2.339 179.874 177.584 -0.082 0.000 1.186 2139 A CA 1.469 53.446 52.037 -0.100 0.000 0.624 2139 A CB -0.970 17.984 19.000 -0.078 0.000 0.822 2139 A HN 0.481 nan 8.150 nan 0.000 0.444 2140 L N -0.723 120.454 121.223 -0.078 0.000 2.017 2140 L HA -0.177 4.163 4.340 0.000 0.000 0.208 2140 L C 2.575 179.407 176.870 -0.064 0.000 1.073 2140 L CA 1.278 56.082 54.840 -0.060 0.000 0.745 2140 L CB -0.641 41.390 42.059 -0.046 0.000 0.894 2140 L HN 0.257 nan 8.230 nan 0.000 0.432 2141 V N -0.257 119.611 119.914 -0.076 0.000 2.295 2141 V HA -0.309 3.811 4.120 0.000 0.000 0.246 2141 V C 2.421 178.473 176.094 -0.070 0.000 1.049 2141 V CA 1.993 64.251 62.300 -0.070 0.000 1.024 2141 V CB -0.415 31.364 31.823 -0.073 0.000 0.648 2141 V HN 0.414 nan 8.190 nan 0.000 0.447 2142 E N -0.231 119.923 120.200 -0.076 0.000 2.072 2142 E HA -0.156 4.194 4.350 0.000 0.000 0.191 2142 E C 2.280 178.843 176.600 -0.061 0.000 0.985 2142 E CA 1.264 57.624 56.400 -0.065 0.000 0.801 2142 E CB -0.374 29.285 29.700 -0.068 0.000 0.750 2142 E HN 0.579 nan 8.360 nan 0.000 0.452 2143 A N 0.999 123.782 122.820 -0.062 0.000 1.883 2143 A HA -0.200 4.120 4.320 0.000 0.000 0.217 2143 A C 2.378 179.920 177.584 -0.071 0.000 1.186 2143 A CA 1.977 53.978 52.037 -0.059 0.000 0.624 2143 A CB -0.920 18.048 19.000 -0.053 0.000 0.822 2143 A HN 0.352 nan 8.150 nan 0.000 0.444 2144 A N -0.838 121.937 122.820 -0.076 0.000 1.972 2144 A HA -0.132 4.188 4.320 0.000 0.000 0.219 2144 A C 2.066 179.591 177.584 -0.099 0.000 1.169 2144 A CA 2.230 54.210 52.037 -0.096 0.000 0.635 2144 A CB -0.365 18.584 19.000 -0.086 0.000 0.810 2144 A HN 0.424 nan 8.150 nan 0.000 0.446 2145 K N 0.464 120.817 120.400 -0.078 0.000 2.057 2145 K HA -0.106 4.214 4.320 0.000 0.000 0.207 2145 K C 2.389 178.950 176.600 -0.066 0.000 1.049 2145 K CA 1.673 57.919 56.287 -0.069 0.000 0.931 2145 K CB -0.305 32.163 32.500 -0.055 0.000 0.714 2145 K HN 0.615 nan 8.250 nan 0.000 0.440 2146 S N 0.187 115.849 115.700 -0.063 0.000 2.428 2146 S HA -0.100 4.370 4.470 0.000 0.000 0.230 2146 S C 1.789 176.351 174.600 -0.063 0.000 1.014 2146 S CA 0.941 59.108 58.200 -0.054 0.000 0.957 2146 S CB -0.466 62.706 63.200 -0.046 0.000 0.784 2146 S HN 0.417 nan 8.310 nan 0.000 0.499 2147 I N -1.623 118.894 120.570 -0.089 0.000 3.883 2147 I HA 0.558 4.728 4.170 0.000 0.000 0.326 2147 I C 1.354 177.385 176.117 -0.143 0.000 1.283 2147 I CA 0.387 61.620 61.300 -0.111 0.000 1.161 2147 I CB -0.324 37.596 38.000 -0.134 0.000 1.012 2147 I HN 0.299 nan 8.210 nan 0.000 0.421 2148 G N 1.340 110.066 108.800 -0.123 0.000 2.160 2148 G HA2 -0.244 3.716 3.960 0.000 0.000 0.251 2148 G HA3 -0.244 3.716 3.960 0.000 0.000 0.251 2148 G C 0.464 175.280 174.900 -0.140 0.000 1.008 2148 G CA 0.127 45.163 45.100 -0.105 0.000 0.724 2148 G HN 1.024 nan 8.290 nan 0.000 0.514 2149 A N 0.158 122.837 122.820 -0.236 0.000 2.425 2149 A HA 0.674 4.994 4.320 0.000 0.000 0.249 2149 A C 1.041 178.553 177.584 -0.120 0.000 1.084 2149 A CA 1.062 52.949 52.037 -0.251 0.000 0.781 2149 A CB 0.362 19.129 19.000 -0.387 0.000 1.019 2149 A HN 1.851 nan 8.150 nan 0.000 0.490 2150 T N 1.163 115.682 114.554 -0.059 0.000 2.779 2150 T HA 0.477 4.827 4.350 0.000 0.000 0.296 2150 T C 0.014 174.617 174.700 -0.162 0.000 0.938 2150 T CA 0.159 62.202 62.100 -0.095 0.000 1.119 2150 T CB -0.253 68.587 68.868 -0.047 0.000 0.891 2150 T HN 0.573 nan 8.240 nan 0.000 0.526 2151 T N 5.327 119.718 114.554 -0.271 0.000 2.861 2151 T HA 0.429 4.779 4.350 0.000 0.000 0.287 2151 T C -0.894 173.547 174.700 -0.432 0.000 1.003 2151 T CA -0.758 61.191 62.100 -0.251 0.000 0.977 2151 T CB 0.878 69.665 68.868 -0.135 0.000 0.996 2151 T HN 0.724 nan 8.240 nan 0.000 0.448 2152 H N 1.020 120.096 119.070 0.011 0.000 2.524 2152 H HA 0.615 5.171 4.556 0.000 0.000 0.353 2152 H C -0.893 174.440 175.328 0.009 0.000 1.136 2152 H CA -0.608 55.453 56.048 0.021 0.000 1.193 2152 H CB 1.917 31.694 29.762 0.024 0.000 1.558 2152 H HN 0.260 nan 8.280 nan 0.000 0.515 2153 V N 2.039 122.028 119.914 0.125 0.000 2.487 2153 V HA 0.677 4.797 4.120 0.000 0.000 0.298 2153 V C 0.504 176.639 176.094 0.067 0.000 1.028 2153 V CA -0.135 62.205 62.300 0.066 0.000 0.860 2153 V CB 1.361 33.206 31.823 0.037 0.000 0.991 2153 V HN 1.121 nan 8.190 nan 0.000 0.427 2154 G N 3.357 112.183 108.800 0.043 0.000 2.452 2154 G HA2 0.349 4.309 3.960 0.000 0.000 0.224 2154 G HA3 0.349 4.309 3.960 0.000 0.000 0.224 2154 G C -1.352 173.551 174.900 0.003 0.000 1.208 2154 G CA -0.360 44.758 45.100 0.029 0.000 0.946 2154 G HN 0.511 nan 8.290 nan 0.000 0.481 2155 V N 0.907 120.813 119.914 -0.013 0.000 2.607 2155 V HA 0.634 4.755 4.120 0.000 0.000 0.289 2155 V C 0.275 176.319 176.094 -0.084 0.000 1.053 2155 V CA 0.014 62.288 62.300 -0.044 0.000 0.996 2155 V CB 1.335 33.131 31.823 -0.046 0.000 0.995 2155 V HN 0.758 nan 8.190 nan 0.000 0.476 2156 T N 3.594 118.085 114.554 -0.105 0.000 2.841 2156 T HA 0.633 4.983 4.350 0.000 0.000 0.283 2156 T C -0.088 174.487 174.700 -0.209 0.000 1.000 2156 T CA -0.277 61.739 62.100 -0.139 0.000 0.977 2156 T CB 1.598 70.418 68.868 -0.080 0.000 0.979 2156 T HN 0.911 nan 8.240 nan 0.000 0.446 2157 A N 2.398 125.033 122.820 -0.309 0.000 2.309 2157 A HA 0.606 4.926 4.320 0.000 0.000 0.290 2157 A C 0.408 177.930 177.584 -0.103 0.000 1.206 2157 A CA -0.407 51.406 52.037 -0.373 0.000 0.850 2157 A CB 0.320 18.911 19.000 -0.681 0.000 1.118 2157 A HN 0.634 nan 8.150 nan 0.000 0.523 2158 S N 2.143 117.798 115.700 -0.074 0.000 2.520 2158 S HA 0.513 4.983 4.470 0.000 0.000 0.324 2158 S C -0.147 174.471 174.600 0.030 0.000 1.069 2158 S CA -0.330 57.870 58.200 -0.001 0.000 1.121 2158 S CB 0.356 63.548 63.200 -0.013 0.000 0.971 2158 S HN 0.990 nan 8.310 nan 0.000 0.463 2159 S N 3.423 119.144 115.700 0.034 0.000 2.472 2159 S HA 0.346 4.816 4.470 0.000 0.000 0.303 2159 S C 0.503 175.092 174.600 -0.019 0.000 1.099 2159 S CA -0.622 57.576 58.200 -0.002 0.000 1.077 2159 S CB 1.172 64.309 63.200 -0.105 0.000 1.031 2159 S HN 0.708 nan 8.310 nan 0.000 0.487 2160 D N 2.260 122.657 120.400 -0.005 0.000 2.350 2160 D HA 0.062 4.702 4.640 0.000 0.000 0.216 2160 D C 0.834 177.121 176.300 -0.020 0.000 0.968 2160 D CA 1.020 55.019 54.000 -0.001 0.000 0.894 2160 D CB 0.116 40.931 40.800 0.025 0.000 0.909 2160 D HN 0.737 nan 8.370 nan 0.000 0.520 2161 T N -4.060 110.450 114.554 -0.075 0.000 2.906 2161 T HA 0.301 4.651 4.350 0.000 0.000 0.295 2161 T C 0.473 175.113 174.700 -0.100 0.000 1.075 2161 T CA -0.896 61.171 62.100 -0.055 0.000 1.005 2161 T CB 1.245 70.072 68.868 -0.069 0.000 1.136 2161 T HN -0.121 nan 8.240 nan 0.000 0.498 2162 F N -0.018 119.791 119.950 -0.236 0.000 2.473 2162 F HA 0.212 4.739 4.527 0.000 0.000 0.294 2162 F C 0.951 176.397 175.800 -0.591 0.000 1.103 2162 F CA 0.636 58.378 58.000 -0.430 0.000 1.442 2162 F CB -0.053 38.637 39.000 -0.516 0.000 1.097 2162 F HN 0.662 nan 8.300 nan 0.000 0.547 2163 Y N 0.794 121.054 120.300 -0.065 0.000 2.380 2163 Y HA 0.155 4.705 4.550 0.000 0.000 0.255 2163 Y C -0.419 175.303 175.900 -0.297 0.000 1.051 2163 Y CA 0.369 58.382 58.100 -0.146 0.000 1.097 2163 Y CB -2.095 36.362 38.460 -0.005 0.000 1.034 2163 Y HN -0.215 nan 8.280 nan 0.000 0.479 2164 P HA -0.093 nan 4.420 nan 0.000 0.216 2164 P C 1.524 178.532 177.300 -0.486 0.000 1.153 2164 P CA 2.238 65.191 63.100 -0.245 0.000 0.848 2164 P CB -0.267 31.353 31.700 -0.134 0.000 0.787 2165 G N -0.169 108.247 108.800 -0.641 0.000 2.509 2165 G HA2 -0.198 3.762 3.960 0.000 0.000 0.218 2165 G HA3 -0.198 3.762 3.960 0.000 0.000 0.218 2165 G C 1.291 175.739 174.900 -0.753 0.000 1.124 2165 G CA 0.287 44.762 45.100 -1.042 0.000 0.776 2165 G HN 0.380 nan 8.290 nan 0.000 0.547 2166 Q N -0.544 118.787 119.800 -0.781 0.000 2.189 2166 Q HA 0.230 4.570 4.340 0.000 0.000 0.221 2166 Q C -0.001 175.613 176.000 -0.644 0.000 0.848 2166 Q CA -0.301 54.766 55.803 -1.227 0.000 1.007 2166 Q CB 0.458 28.369 28.738 -1.378 0.000 1.116 2166 Q HN 0.545 nan 8.270 nan 0.000 0.481 2167 E N 1.569 121.534 120.200 -0.391 0.000 2.269 2167 E HA -0.244 4.106 4.350 0.000 0.000 0.223 2167 E C -0.853 175.549 176.600 -0.329 0.000 1.244 2167 E CA 0.180 56.408 56.400 -0.286 0.000 0.713 2167 E CB -0.345 29.341 29.700 -0.023 0.000 1.178 2167 E HN 0.354 nan 8.360 nan 0.000 0.370 2168 R N -0.185 120.111 120.500 -0.340 0.000 2.357 2168 R HA 0.189 4.529 4.340 0.000 0.000 0.296 2168 R C 0.389 176.544 176.300 -0.242 0.000 1.052 2168 R CA -0.113 55.885 56.100 -0.169 0.000 0.988 2168 R CB 0.463 30.727 30.300 -0.059 0.000 1.025 2168 R HN 0.192 nan 8.270 nan 0.000 0.469 2169 Y N -0.257 120.073 120.300 0.051 0.000 2.507 2169 Y HA 0.070 4.620 4.550 0.000 0.000 0.263 2169 Y C 0.226 176.153 175.900 0.045 0.000 1.093 2169 Y CA -0.076 58.049 58.100 0.042 0.000 1.285 2169 Y CB 0.558 39.033 38.460 0.025 0.000 1.115 2169 Y HN 0.492 nan 8.280 nan 0.000 0.533 2170 D N 1.551 122.063 120.400 0.186 0.000 2.541 2170 D HA 0.102 4.742 4.640 0.000 0.000 0.231 2170 D C 0.182 176.533 176.300 0.084 0.000 1.163 2170 D CA 0.396 54.475 54.000 0.130 0.000 1.077 2170 D CB -0.189 40.693 40.800 0.136 0.000 1.110 2170 D HN 0.233 nan 8.370 nan 0.000 0.499 2171 T N -2.773 111.803 114.554 0.037 0.000 2.838 2171 T HA 0.161 4.511 4.350 0.000 0.000 0.292 2171 T C 0.891 175.589 174.700 -0.003 0.000 1.113 2171 T CA -0.867 61.205 62.100 -0.047 0.000 1.008 2171 T CB 0.704 69.529 68.868 -0.071 0.000 1.259 2171 T HN 0.080 nan 8.240 nan 0.000 0.520 2172 Y N 1.752 121.980 120.300 -0.121 0.000 2.151 2172 Y HA -0.171 4.379 4.550 0.000 0.000 0.284 2172 Y C 2.621 178.500 175.900 -0.036 0.000 1.166 2172 Y CA 2.776 60.831 58.100 -0.075 0.000 1.163 2172 Y CB -0.492 37.916 38.460 -0.087 0.000 0.974 2172 Y HN 0.760 nan 8.280 nan 0.000 0.511 2173 S N -1.537 114.075 115.700 -0.147 0.000 2.483 2173 S HA 0.235 4.705 4.470 0.000 0.000 0.221 2173 S C 1.913 176.458 174.600 -0.092 0.000 1.030 2173 S CA 0.543 58.621 58.200 -0.203 0.000 0.925 2173 S CB -0.305 62.874 63.200 -0.035 0.000 0.795 2173 S HN 0.999 nan 8.310 nan 0.000 0.511 2174 G N 2.023 110.815 108.800 -0.014 0.000 2.189 2174 G HA2 -0.323 3.637 3.960 0.000 0.000 0.267 2174 G HA3 -0.323 3.637 3.960 0.000 0.000 0.267 2174 G C 0.077 175.079 174.900 0.170 0.000 0.975 2174 G CA 0.525 45.672 45.100 0.078 0.000 0.644 2174 G HN 0.899 nan 8.290 nan 0.000 0.537 2175 R N -1.094 119.466 120.500 0.100 0.000 2.758 2175 R HA 0.839 5.179 4.340 0.000 0.000 0.265 2175 R C -0.830 175.503 176.300 0.054 0.000 1.016 2175 R CA -1.043 55.139 56.100 0.137 0.000 1.040 2175 R CB 2.056 32.413 30.300 0.094 0.000 1.152 2175 R HN 0.180 nan 8.270 nan 0.000 0.503 2176 V N 1.558 121.520 119.914 0.080 0.000 2.638 2176 V HA 0.211 4.331 4.120 0.000 0.000 0.306 2176 V C -0.151 176.010 176.094 0.110 0.000 1.052 2176 V CA -1.103 61.198 62.300 0.002 0.000 0.885 2176 V CB 2.015 33.728 31.823 -0.183 0.000 0.999 2176 V HN 0.635 nan 8.190 nan 0.000 0.424 2177 V N 5.929 125.928 119.914 0.142 0.000 2.788 2177 V HA 0.034 4.154 4.120 0.000 0.000 0.307 2177 V C 1.908 178.108 176.094 0.177 0.000 1.069 2177 V CA 0.848 63.250 62.300 0.170 0.000 1.173 2177 V CB 0.819 32.770 31.823 0.212 0.000 0.925 2177 V HN 0.981 nan 8.190 nan 0.000 0.492 2178 R N 3.554 124.131 120.500 0.128 0.000 2.159 2178 R HA -0.302 4.038 4.340 0.000 0.000 0.249 2178 R C 1.971 178.314 176.300 0.072 0.000 1.136 2178 R CA 2.902 59.058 56.100 0.092 0.000 0.951 2178 R CB -0.720 29.623 30.300 0.071 0.000 0.876 2178 R HN 1.016 nan 8.270 nan 0.000 0.440 2179 H N -1.045 118.009 119.070 -0.026 0.000 2.426 2179 H HA -0.155 4.401 4.556 0.000 0.000 0.298 2179 H C 1.163 176.305 175.328 -0.309 0.000 1.107 2179 H CA 2.373 58.307 56.048 -0.190 0.000 1.298 2179 H CB -0.181 29.414 29.762 -0.278 0.000 1.377 2179 H HN 0.315 nan 8.280 nan 0.000 0.519 2180 F N -0.207 119.721 119.950 -0.037 0.000 2.678 2180 F HA 0.244 4.771 4.527 0.000 0.000 0.305 2180 F C 0.873 176.640 175.800 -0.055 0.000 1.090 2180 F CA -0.313 57.641 58.000 -0.077 0.000 1.272 2180 F CB 0.363 39.373 39.000 0.017 0.000 1.060 2180 F HN -0.176 nan 8.300 nan 0.000 0.576 2181 K N 0.841 121.310 120.400 0.114 0.000 2.436 2181 K HA 0.210 4.530 4.320 0.000 0.000 0.282 2181 K C 1.106 177.731 176.600 0.042 0.000 1.044 2181 K CA 0.924 57.283 56.287 0.120 0.000 1.028 2181 K CB 0.102 32.666 32.500 0.106 0.000 0.919 2181 K HN 0.398 nan 8.250 nan 0.000 0.474 2182 G N 1.987 110.830 108.800 0.073 0.000 2.159 2182 G HA2 -0.333 3.627 3.960 0.000 0.000 0.256 2182 G HA3 -0.333 3.627 3.960 0.000 0.000 0.256 2182 G C 0.857 175.695 174.900 -0.103 0.000 0.977 2182 G CA 0.774 45.870 45.100 -0.007 0.000 0.652 2182 G HN 0.692 nan 8.290 nan 0.000 0.531 2183 S N -0.677 114.968 115.700 -0.092 0.000 2.387 2183 S HA 0.073 4.543 4.470 0.000 0.000 0.226 2183 S C 2.274 176.676 174.600 -0.330 0.000 1.026 2183 S CA 1.574 59.596 58.200 -0.298 0.000 0.972 2183 S CB -0.259 62.916 63.200 -0.043 0.000 0.814 2183 S HN 0.648 nan 8.310 nan 0.000 0.477 2184 M N 1.622 121.263 119.600 0.069 0.000 2.117 2184 M HA -0.126 4.354 4.480 0.000 0.000 0.262 2184 M C 2.380 178.711 176.300 0.052 0.000 1.065 2184 M CA 2.211 57.647 55.300 0.227 0.000 1.114 2184 M CB -0.284 32.504 32.600 0.313 0.000 1.361 2184 M HN 0.564 nan 8.290 nan 0.000 0.408 2185 E N -0.113 120.080 120.200 -0.012 0.000 2.110 2185 E HA -0.229 4.121 4.350 0.000 0.000 0.193 2185 E C 1.824 178.374 176.600 -0.084 0.000 0.988 2185 E CA 1.281 57.664 56.400 -0.028 0.000 0.804 2185 E CB -0.028 29.656 29.700 -0.027 0.000 0.745 2185 E HN 0.529 nan 8.360 nan 0.000 0.458 2186 E N -0.056 120.009 120.200 -0.226 0.000 2.047 2186 E HA -0.176 4.174 4.350 0.000 0.000 0.191 2186 E C 1.842 178.350 176.600 -0.154 0.000 0.987 2186 E CA 1.302 57.527 56.400 -0.291 0.000 0.799 2186 E CB -0.317 29.052 29.700 -0.551 0.000 0.752 2186 E HN 0.504 nan 8.360 nan 0.000 0.449 2187 W N 1.737 123.030 121.300 -0.012 0.000 2.338 2187 W HA -0.216 4.444 4.660 0.000 0.000 0.304 2187 W C 2.550 179.030 176.519 -0.064 0.000 1.212 2187 W CA 0.665 57.979 57.345 -0.052 0.000 1.264 2187 W CB -0.266 29.126 29.460 -0.113 0.000 1.142 2187 W HN 0.164 nan 8.180 nan 0.000 0.512 2188 Q N 0.518 120.401 119.800 0.138 0.000 2.124 2188 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 2188 Q C 2.425 178.460 176.000 0.059 0.000 0.977 2188 Q CA 1.486 57.331 55.803 0.069 0.000 0.850 2188 Q CB -0.901 27.861 28.738 0.040 0.000 0.901 2188 Q HN 0.323 nan 8.270 nan 0.000 0.429 2189 A N 1.337 124.183 122.820 0.042 0.000 1.978 2189 A HA -0.112 4.208 4.320 0.000 0.000 0.220 2189 A C 1.983 179.595 177.584 0.048 0.000 1.170 2189 A CA 1.300 53.354 52.037 0.029 0.000 0.636 2189 A CB -0.444 18.557 19.000 0.002 0.000 0.810 2189 A HN 0.329 nan 8.150 nan 0.000 0.448 2190 M N -1.323 118.327 119.600 0.084 0.000 2.561 2190 M HA 0.177 4.657 4.480 0.000 0.000 0.238 2190 M C 1.303 177.653 176.300 0.083 0.000 1.131 2190 M CA 0.716 56.077 55.300 0.101 0.000 1.046 2190 M CB 0.240 32.948 32.600 0.180 0.000 1.532 2190 M HN 0.618 nan 8.290 nan 0.000 0.497 2191 G N 0.606 109.447 108.800 0.070 0.000 2.159 2191 G HA2 -0.209 3.751 3.960 0.000 0.000 0.256 2191 G HA3 -0.209 3.751 3.960 0.000 0.000 0.256 2191 G C 0.099 175.018 174.900 0.031 0.000 0.977 2191 G CA -0.171 44.961 45.100 0.053 0.000 0.652 2191 G HN 0.315 nan 8.290 nan 0.000 0.531 2192 V N 1.559 121.490 119.914 0.028 0.000 2.673 2192 V HA 0.205 4.325 4.120 0.000 0.000 0.303 2192 V C 1.826 177.870 176.094 -0.084 0.000 1.046 2192 V CA 1.231 63.504 62.300 -0.044 0.000 1.126 2192 V CB 1.236 33.013 31.823 -0.077 0.000 0.934 2192 V HN 0.402 nan 8.190 nan 0.000 0.487 2193 M N 3.184 122.719 119.600 -0.109 0.000 2.394 2193 M HA 0.125 4.605 4.480 0.000 0.000 0.266 2193 M C 0.577 176.777 176.300 -0.167 0.000 1.098 2193 M CA 0.892 56.114 55.300 -0.131 0.000 1.149 2193 M CB 0.046 32.588 32.600 -0.097 0.000 1.369 2193 M HN 0.951 nan 8.290 nan 0.000 0.450 2194 N N -1.718 116.862 118.700 -0.201 0.000 3.185 2194 N HA 0.152 4.892 4.740 0.000 0.000 0.238 2194 N C -2.006 173.348 175.510 -0.260 0.000 1.451 2194 N CA -0.667 52.269 53.050 -0.190 0.000 0.888 2194 N CB 1.090 39.524 38.487 -0.089 0.000 1.413 2194 N HN -0.118 nan 8.380 nan 0.000 0.511 2195 Y N -0.128 120.123 120.300 -0.082 0.000 2.377 2195 Y HA 0.489 5.039 4.550 0.000 0.000 0.339 2195 Y C 0.342 176.190 175.900 -0.087 0.000 1.011 2195 Y CA -0.145 57.892 58.100 -0.104 0.000 1.093 2195 Y CB 1.549 39.928 38.460 -0.135 0.000 1.201 2195 Y HN 0.791 nan 8.280 nan 0.000 0.455 2196 E N 0.019 120.284 120.200 0.109 0.000 2.391 2196 E HA 0.525 4.875 4.350 0.000 0.000 0.256 2196 E C -0.927 175.700 176.600 0.044 0.000 0.975 2196 E CA -0.722 55.715 56.400 0.061 0.000 0.881 2196 E CB 1.169 30.892 29.700 0.039 0.000 1.728 2196 E HN 0.447 nan 8.360 nan 0.000 0.446 2197 M N -0.636 118.985 119.600 0.035 0.000 2.300 2197 M HA 0.329 4.809 4.480 0.000 0.000 0.313 2197 M C -0.003 176.307 176.300 0.016 0.000 0.988 2197 M CA 0.243 55.557 55.300 0.024 0.000 1.012 2197 M CB 0.667 33.286 32.600 0.032 0.000 1.586 2197 M HN 0.493 nan 8.290 nan 0.000 0.562 2198 E N -0.559 119.649 120.200 0.014 0.000 2.536 2198 E HA 0.069 4.419 4.350 0.000 0.000 0.220 2198 E C 1.828 178.426 176.600 -0.003 0.000 0.876 2198 E CA 0.524 56.928 56.400 0.006 0.000 1.190 2198 E CB 0.410 30.115 29.700 0.009 0.000 1.191 2198 E HN 0.311 nan 8.360 nan 0.000 0.557 2199 S N 0.766 116.466 115.700 -0.001 0.000 2.383 2199 S HA -0.078 4.392 4.470 0.000 0.000 0.227 2199 S C 2.239 176.835 174.600 -0.007 0.000 1.026 2199 S CA 0.863 59.059 58.200 -0.006 0.000 0.981 2199 S CB -0.282 62.915 63.200 -0.005 0.000 0.818 2199 S HN 0.225 nan 8.310 nan 0.000 0.472 2200 A N 1.934 124.754 122.820 -0.001 0.000 1.883 2200 A HA -0.082 4.238 4.320 0.000 0.000 0.217 2200 A C 2.455 180.048 177.584 0.014 0.000 1.186 2200 A CA 2.309 54.353 52.037 0.013 0.000 0.624 2200 A CB -1.748 17.265 19.000 0.021 0.000 0.822 2200 A HN 0.568 nan 8.150 nan 0.000 0.444 2201 T N -0.137 114.419 114.554 0.003 0.000 2.701 2201 T HA -0.104 4.246 4.350 0.000 0.000 0.263 2201 T C 1.882 176.525 174.700 -0.096 0.000 1.040 2201 T CA 1.449 63.542 62.100 -0.012 0.000 1.147 2201 T CB -0.439 68.429 68.868 -0.001 0.000 0.865 2201 T HN 0.343 nan 8.240 nan 0.000 0.426 2202 L N 1.234 122.399 121.223 -0.096 0.000 1.970 2202 L HA -0.051 4.289 4.340 0.000 0.000 0.212 2202 L C 2.228 179.011 176.870 -0.145 0.000 1.071 2202 L CA 1.746 56.492 54.840 -0.155 0.000 0.751 2202 L CB -0.781 41.219 42.059 -0.098 0.000 0.889 2202 L HN 0.248 nan 8.230 nan 0.000 0.432 2203 L N -1.222 119.965 121.223 -0.061 0.000 2.042 2203 L HA -0.221 4.119 4.340 0.000 0.000 0.210 2203 L C 2.372 179.243 176.870 0.002 0.000 1.076 2203 L CA 1.855 56.687 54.840 -0.014 0.000 0.749 2203 L CB -1.256 40.817 42.059 0.023 0.000 0.893 2203 L HN 0.341 nan 8.230 nan 0.000 0.432 2204 T N 0.458 115.012 114.554 -0.000 0.000 2.777 2204 T HA -0.188 4.162 4.350 0.000 0.000 0.266 2204 T C 1.861 176.473 174.700 -0.147 0.000 1.040 2204 T CA 1.808 63.924 62.100 0.026 0.000 1.141 2204 T CB -0.222 68.688 68.868 0.070 0.000 0.868 2204 T HN 0.449 nan 8.240 nan 0.000 0.444 2205 M N 0.246 119.647 119.600 -0.332 0.000 2.229 2205 M HA -0.013 4.467 4.480 0.000 0.000 0.264 2205 M C 2.221 178.248 176.300 -0.455 0.000 1.063 2205 M CA 1.489 56.356 55.300 -0.722 0.000 1.114 2205 M CB -1.057 30.677 32.600 -1.443 0.000 1.387 2205 M HN 0.175 nan 8.290 nan 0.000 0.420 2206 C N 1.363 120.487 119.300 -0.294 0.000 2.518 2206 C HA 0.183 4.643 4.460 0.000 0.000 0.279 2206 C C 3.302 178.269 174.990 -0.039 0.000 1.279 2206 C CA 0.915 59.838 59.018 -0.159 0.000 1.703 2206 C CB -1.191 26.485 27.740 -0.106 0.000 2.072 2206 C HN 0.762 nan 8.230 nan 0.000 0.487 2207 A N 1.262 124.099 122.820 0.029 0.000 1.978 2207 A HA -0.172 4.148 4.320 0.000 0.000 0.220 2207 A C 2.148 179.830 177.584 0.162 0.000 1.170 2207 A CA 2.341 54.472 52.037 0.157 0.000 0.636 2207 A CB -0.704 18.476 19.000 0.300 0.000 0.810 2207 A HN 0.735 nan 8.150 nan 0.000 0.448 2208 S N -1.812 113.860 115.700 -0.046 0.000 2.605 2208 S HA 0.161 4.631 4.470 0.000 0.000 0.217 2208 S C 0.896 175.448 174.600 -0.080 0.000 0.958 2208 S CA 0.354 58.442 58.200 -0.188 0.000 0.919 2208 S CB 0.037 62.909 63.200 -0.546 0.000 0.780 2208 S HN 0.663 nan 8.310 nan 0.000 0.507 2209 Q N 0.160 119.934 119.800 -0.043 0.000 2.086 2209 Q HA 0.355 4.695 4.340 0.000 0.000 0.220 2209 Q C 0.742 176.754 176.000 0.019 0.000 0.792 2209 Q CA 0.038 55.831 55.803 -0.016 0.000 1.062 2209 Q CB 1.037 29.748 28.738 -0.046 0.000 1.198 2209 Q HN 0.604 nan 8.270 nan 0.000 0.466 2210 G N 1.446 110.270 108.800 0.040 0.000 2.153 2210 G HA2 -0.280 3.680 3.960 0.000 0.000 0.252 2210 G HA3 -0.280 3.680 3.960 0.000 0.000 0.252 2210 G C -0.027 174.913 174.900 0.067 0.000 0.994 2210 G CA 0.175 45.309 45.100 0.057 0.000 0.698 2210 G HN 0.268 nan 8.290 nan 0.000 0.521 2211 L N -0.127 121.138 121.223 0.071 0.000 2.325 2211 L HA 0.572 4.912 4.340 0.000 0.000 0.279 2211 L C 1.112 178.059 176.870 0.129 0.000 1.054 2211 L CA -1.005 53.910 54.840 0.126 0.000 0.804 2211 L CB 1.084 43.248 42.059 0.174 0.000 1.200 2211 L HN 0.046 nan 8.230 nan 0.000 0.436 2212 R N 2.066 122.654 120.500 0.147 0.000 2.265 2212 R HA 0.679 5.019 4.340 0.000 0.000 0.314 2212 R C -0.563 175.839 176.300 0.169 0.000 1.053 2212 R CA -0.323 55.851 56.100 0.123 0.000 0.931 2212 R CB 1.262 31.612 30.300 0.082 0.000 1.024 2212 R HN 0.737 nan 8.270 nan 0.000 0.457 2213 A N 1.654 124.549 122.820 0.125 0.000 2.475 2213 A HA 0.820 5.140 4.320 0.000 0.000 0.301 2213 A C -0.694 176.935 177.584 0.075 0.000 1.059 2213 A CA -0.646 51.466 52.037 0.126 0.000 0.710 2213 A CB 2.215 21.264 19.000 0.082 0.000 1.288 2213 A HN 0.753 nan 8.150 nan 0.000 0.408 2214 G N -0.356 108.485 108.800 0.068 0.000 2.660 2214 G HA2 0.687 4.647 3.960 0.000 0.000 0.294 2214 G HA3 0.687 4.647 3.960 0.000 0.000 0.294 2214 G C -1.297 173.624 174.900 0.034 0.000 1.369 2214 G CA -0.520 44.601 45.100 0.036 0.000 0.912 2214 G HN 1.229 nan 8.290 nan 0.000 0.479 2215 M N 1.624 121.236 119.600 0.019 0.000 2.271 2215 M HA 0.724 5.204 4.480 0.000 0.000 0.285 2215 M C -1.894 174.412 176.300 0.010 0.000 1.059 2215 M CA -0.827 54.483 55.300 0.017 0.000 0.940 2215 M CB 1.900 34.508 32.600 0.014 0.000 1.636 2215 M HN 0.795 nan 8.290 nan 0.000 0.460 2216 V N 4.004 123.925 119.914 0.013 0.000 2.971 2216 V HA 1.052 5.172 4.120 0.000 0.000 0.309 2216 V C -1.758 174.346 176.094 0.016 0.000 1.130 2216 V CA 0.188 62.495 62.300 0.010 0.000 0.964 2216 V CB 2.072 33.897 31.823 0.004 0.000 1.029 2216 V HN 1.272 nan 8.190 nan 0.000 0.427 2217 A N 3.536 126.368 122.820 0.019 0.000 2.574 2217 A HA 0.889 5.209 4.320 0.000 0.000 0.297 2217 A C -0.279 177.323 177.584 0.031 0.000 1.062 2217 A CA -0.109 51.942 52.037 0.023 0.000 0.686 2217 A CB 1.770 20.783 19.000 0.022 0.000 1.285 2217 A HN 1.646 nan 8.150 nan 0.000 0.403 2218 G N 0.059 108.879 108.800 0.033 0.000 2.377 2218 G HA2 0.525 4.485 3.960 0.000 0.000 0.299 2218 G HA3 0.525 4.485 3.960 0.000 0.000 0.299 2218 G C -0.491 174.429 174.900 0.034 0.000 1.150 2218 G CA -0.338 44.786 45.100 0.041 0.000 0.847 2218 G HN 0.939 nan 8.290 nan 0.000 0.501 2219 V N 3.266 123.203 119.914 0.037 0.000 2.455 2219 V HA 0.135 4.255 4.120 0.000 0.000 0.273 2219 V C 1.213 177.322 176.094 0.025 0.000 1.045 2219 V CA -0.023 62.293 62.300 0.027 0.000 0.976 2219 V CB 0.863 32.700 31.823 0.023 0.000 0.993 2219 V HN 0.769 nan 8.190 nan 0.000 0.475 2220 I N 3.353 123.939 120.570 0.026 0.000 4.057 2220 I HA 0.535 4.705 4.170 0.000 0.000 0.334 2220 I C 0.194 176.328 176.117 0.029 0.000 1.308 2220 I CA 0.289 61.605 61.300 0.027 0.000 1.125 2220 I CB 1.000 39.020 38.000 0.032 0.000 1.034 2220 I HN 0.400 nan 8.210 nan 0.000 0.401 2221 V N 1.271 121.201 119.914 0.026 0.000 3.000 2221 V HA 0.412 4.532 4.120 0.000 0.000 0.300 2221 V C -1.776 174.324 176.094 0.011 0.000 1.251 2221 V CA -0.607 61.707 62.300 0.023 0.000 0.972 2221 V CB 2.306 34.149 31.823 0.033 0.000 1.065 2221 V HN 0.349 nan 8.190 nan 0.000 0.431 2222 N N 4.933 123.638 118.700 0.007 0.000 2.424 2222 N HA 0.380 5.120 4.740 0.000 0.000 0.271 2222 N C 0.562 176.078 175.510 0.010 0.000 0.985 2222 N CA -0.554 52.494 53.050 -0.003 0.000 0.921 2222 N CB 1.656 40.135 38.487 -0.013 0.000 1.149 2222 N HN 0.595 nan 8.380 nan 0.000 0.492 2223 R N 1.041 121.551 120.500 0.017 0.000 2.276 2223 R HA -0.024 4.316 4.340 0.000 0.000 0.203 2223 R C 1.376 177.701 176.300 0.041 0.000 1.017 2223 R CA 0.709 56.832 56.100 0.038 0.000 1.010 2223 R CB -0.612 29.735 30.300 0.078 0.000 0.900 2223 R HN 0.687 nan 8.270 nan 0.000 0.469 2224 T N -3.001 111.569 114.554 0.025 0.000 3.160 2224 T HA 0.019 4.369 4.350 0.000 0.000 0.257 2224 T C 1.499 176.214 174.700 0.025 0.000 1.147 2224 T CA 0.637 62.753 62.100 0.026 0.000 1.064 2224 T CB 0.236 69.114 68.868 0.015 0.000 0.949 2224 T HN 0.213 nan 8.240 nan 0.000 0.526 2225 Q N -0.439 119.375 119.800 0.024 0.000 2.431 2225 Q HA 0.385 4.725 4.340 0.000 0.000 0.244 2225 Q C 0.401 176.419 176.000 0.029 0.000 0.880 2225 Q CA 0.111 55.928 55.803 0.024 0.000 0.954 2225 Q CB 0.890 29.640 28.738 0.019 0.000 1.105 2225 Q HN 0.491 nan 8.270 nan 0.000 0.558 2226 Q N -1.165 118.655 119.800 0.034 0.000 2.527 2226 Q HA 0.159 4.499 4.340 0.000 0.000 0.280 2226 Q C -0.741 175.283 176.000 0.040 0.000 0.977 2226 Q CA -0.142 55.684 55.803 0.039 0.000 0.837 2226 Q CB 1.857 30.616 28.738 0.036 0.000 1.454 2226 Q HN 0.011 nan 8.270 nan 0.000 0.387 2227 E N 0.582 120.812 120.200 0.050 0.000 2.162 2227 E HA 0.132 4.482 4.350 0.000 0.000 0.193 2227 E C 0.072 176.702 176.600 0.050 0.000 0.953 2227 E CA 0.451 56.873 56.400 0.037 0.000 0.849 2227 E CB 0.713 30.454 29.700 0.069 0.000 0.810 2227 E HN 0.310 nan 8.360 nan 0.000 0.470 2228 I N 2.697 123.320 120.570 0.088 0.000 2.354 2228 I HA 0.271 4.441 4.170 0.000 0.000 0.292 2228 I C -2.343 173.828 176.117 0.089 0.000 0.989 2228 I CA -3.188 58.185 61.300 0.122 0.000 1.188 2228 I CB 0.678 38.761 38.000 0.137 0.000 1.342 2228 I HN -0.206 nan 8.210 nan 0.000 0.457 2229 P HA 0.087 nan 4.420 nan 0.000 0.267 2229 P C 0.030 177.359 177.300 0.048 0.000 1.200 2229 P CA -0.086 63.053 63.100 0.065 0.000 0.772 2229 P CB 0.549 32.292 31.700 0.072 0.000 0.855 2240 H N 2.022 121.084 119.070 -0.012 0.000 2.357 2240 H HA 0.349 4.905 4.556 0.000 0.000 0.301 2240 H C 2.243 177.563 175.328 -0.014 0.000 1.082 2240 H CA 1.761 57.802 56.048 -0.013 0.000 1.342 2240 H CB -0.487 29.269 29.762 -0.010 0.000 1.389 2240 H HN 0.494 nan 8.280 nan 0.000 0.511 2241 A N 0.049 122.941 122.820 0.119 0.000 1.930 2241 A HA -0.095 4.225 4.320 0.000 0.000 0.217 2241 A C 2.755 180.355 177.584 0.028 0.000 1.175 2241 A CA 1.512 53.580 52.037 0.051 0.000 0.627 2241 A CB -0.768 18.258 19.000 0.042 0.000 0.815 2241 A HN 0.236 nan 8.150 nan 0.000 0.443 2242 V N -0.054 119.877 119.914 0.029 0.000 2.295 2242 V HA -0.276 3.844 4.120 0.000 0.000 0.246 2242 V C 2.474 178.572 176.094 0.006 0.000 1.049 2242 V CA 2.431 64.737 62.300 0.009 0.000 1.024 2242 V CB -0.696 31.125 31.823 -0.002 0.000 0.648 2242 V HN 0.538 nan 8.190 nan 0.000 0.447 2243 K N -0.257 120.156 120.400 0.021 0.000 2.074 2243 K HA -0.161 4.159 4.320 0.000 0.000 0.209 2243 K C 1.914 178.507 176.600 -0.011 0.000 1.048 2243 K CA 1.726 58.019 56.287 0.010 0.000 0.926 2243 K CB -0.332 32.187 32.500 0.032 0.000 0.713 2243 K HN 0.423 nan 8.250 nan 0.000 0.444 2244 I N -0.619 119.941 120.570 -0.016 0.000 2.286 2244 I HA -0.236 3.934 4.170 0.000 0.000 0.245 2244 I C 2.145 178.248 176.117 -0.024 0.000 1.104 2244 I CA 0.703 61.983 61.300 -0.033 0.000 1.397 2244 I CB -0.158 37.817 38.000 -0.042 0.000 1.072 2244 I HN 0.002 nan 8.210 nan 0.000 0.417 2245 V N 0.403 120.309 119.914 -0.013 0.000 2.407 2245 V HA -0.216 3.904 4.120 0.000 0.000 0.248 2245 V C 2.379 178.465 176.094 -0.013 0.000 1.055 2245 V CA 1.722 64.016 62.300 -0.010 0.000 1.049 2245 V CB 0.106 31.928 31.823 -0.001 0.000 0.662 2245 V HN 0.213 nan 8.190 nan 0.000 0.455 2246 V N 0.065 119.971 119.914 -0.014 0.000 2.358 2246 V HA -0.200 3.920 4.120 0.000 0.000 0.246 2246 V C 2.523 178.606 176.094 -0.018 0.000 1.047 2246 V CA 2.239 64.530 62.300 -0.015 0.000 1.035 2246 V CB -0.657 31.157 31.823 -0.014 0.000 0.658 2246 V HN 0.682 nan 8.190 nan 0.000 0.452 2247 E N 0.885 121.072 120.200 -0.022 0.000 2.106 2247 E HA -0.146 4.204 4.350 0.000 0.000 0.192 2247 E C 2.072 178.654 176.600 -0.029 0.000 0.984 2247 E CA 1.598 57.982 56.400 -0.026 0.000 0.806 2247 E CB -0.420 29.261 29.700 -0.032 0.000 0.750 2247 E HN 0.505 nan 8.360 nan 0.000 0.458 2248 A N 0.884 123.685 122.820 -0.031 0.000 1.898 2248 A HA 0.013 4.333 4.320 0.000 0.000 0.216 2248 A C 2.478 180.043 177.584 -0.031 0.000 1.181 2248 A CA 1.956 53.972 52.037 -0.035 0.000 0.620 2248 A CB -1.089 17.890 19.000 -0.035 0.000 0.819 2248 A HN 0.387 nan 8.150 nan 0.000 0.442 2249 A N -0.232 122.573 122.820 -0.025 0.000 1.917 2249 A HA -0.238 4.082 4.320 0.000 0.000 0.219 2249 A C 2.215 179.784 177.584 -0.025 0.000 1.182 2249 A CA 2.028 54.049 52.037 -0.026 0.000 0.633 2249 A CB -0.536 18.451 19.000 -0.022 0.000 0.819 2249 A HN 0.541 nan 8.150 nan 0.000 0.448 2250 R N -0.607 119.879 120.500 -0.023 0.000 2.096 2250 R HA -0.149 4.191 4.340 0.000 0.000 0.240 2250 R C 2.251 178.537 176.300 -0.022 0.000 1.139 2250 R CA 1.979 58.066 56.100 -0.021 0.000 0.952 2250 R CB -0.200 30.089 30.300 -0.019 0.000 0.854 2250 R HN 0.522 nan 8.270 nan 0.000 0.436 2251 R N -0.403 120.081 120.500 -0.027 0.000 2.276 2251 R HA 0.029 4.369 4.340 0.000 0.000 0.203 2251 R C 1.413 177.696 176.300 -0.028 0.000 1.017 2251 R CA 0.613 56.696 56.100 -0.028 0.000 1.010 2251 R CB 0.156 30.434 30.300 -0.036 0.000 0.900 2251 R HN 0.250 nan 8.270 nan 0.000 0.469 2252 L N 0.197 121.403 121.223 -0.028 0.000 2.640 2252 L HA 0.206 4.546 4.340 0.000 0.000 0.230 2252 L C 0.444 177.299 176.870 -0.024 0.000 1.123 2252 L CA -0.207 54.617 54.840 -0.027 0.000 0.900 2252 L CB 0.166 42.207 42.059 -0.030 0.000 1.146 2252 L HN 0.080 nan 8.230 nan 0.000 0.484 2253 L N 0.000 121.209 121.223 -0.023 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