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 1y1t_1_F DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFX XXXXXXXXXX XXXXXXXXXS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNX XXXXXXXXXX XKQTESHAVK 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 0.000 174.535 174.600 -0.109 0.000 1.055 2004 S CA 0.000 58.153 58.200 -0.078 0.000 1.107 2004 S CB 0.000 63.141 63.200 -0.098 0.000 0.593 2005 D N 1.082 121.422 120.400 -0.101 0.000 2.348 2005 D HA 0.149 4.789 4.640 -0.000 0.000 0.211 2005 D C 0.883 177.069 176.300 -0.189 0.000 0.998 2005 D CA 1.131 55.055 54.000 -0.127 0.000 0.873 2005 D CB 0.441 41.191 40.800 -0.083 0.000 0.925 2005 D HN 0.537 nan 8.370 nan 0.000 0.524 2006 V N -2.840 116.968 119.914 -0.177 0.000 2.914 2006 V HA 0.375 4.494 4.120 -0.000 0.000 0.314 2006 V C 0.935 176.919 176.094 -0.183 0.000 1.084 2006 V CA -0.911 61.274 62.300 -0.191 0.000 0.963 2006 V CB 1.383 33.169 31.823 -0.062 0.000 1.025 2006 V HN -0.263 nan 8.190 nan 0.000 0.432 2007 F N 0.829 120.762 119.950 -0.027 0.000 2.171 2007 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 2007 F C 2.059 177.674 175.800 -0.309 0.000 1.090 2007 F CA 2.625 60.538 58.000 -0.145 0.000 1.293 2007 F CB -0.492 38.434 39.000 -0.123 0.000 1.013 2007 F HN 0.763 nan 8.300 nan 0.000 0.486 2008 H N -2.343 116.778 119.070 0.085 0.000 2.657 2008 H HA 0.249 4.805 4.556 -0.000 0.000 0.262 2008 H C 1.972 177.309 175.328 0.015 0.000 0.965 2008 H CA 0.277 56.349 56.048 0.040 0.000 1.184 2008 H CB -0.375 29.384 29.762 -0.004 0.000 1.443 2008 H HN -0.006 nan 8.280 nan 0.000 0.462 2009 L N 0.107 121.368 121.223 0.063 0.000 2.275 2009 L HA 0.074 4.413 4.340 -0.000 0.000 0.215 2009 L C 1.172 178.149 176.870 0.180 0.000 1.119 2009 L CA 0.949 55.856 54.840 0.112 0.000 0.790 2009 L CB -0.500 41.574 42.059 0.024 0.000 0.919 2009 L HN 0.573 nan 8.230 nan 0.000 0.443 2010 G N 1.035 109.827 108.800 -0.014 0.000 2.246 2010 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.273 2010 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.273 2010 G C -0.169 174.769 174.900 0.063 0.000 1.055 2010 G CA 0.072 45.125 45.100 -0.077 0.000 0.851 2010 G HN 0.250 nan 8.290 nan 0.000 0.500 2011 L N -0.297 120.943 121.223 0.028 0.000 2.323 2011 L HA 0.878 5.218 4.340 -0.000 0.000 0.265 2011 L C 0.736 177.602 176.870 -0.006 0.000 1.012 2011 L CA -0.555 54.301 54.840 0.028 0.000 0.820 2011 L CB 2.417 44.501 42.059 0.042 0.000 1.334 2011 L HN 0.376 nan 8.230 nan 0.000 0.427 2012 T N -2.983 111.568 114.554 -0.005 0.000 2.942 2012 T HA 0.406 4.756 4.350 -0.000 0.000 0.289 2012 T C 0.549 175.242 174.700 -0.012 0.000 1.044 2012 T CA -0.826 61.264 62.100 -0.017 0.000 1.023 2012 T CB 2.120 70.978 68.868 -0.017 0.000 1.123 2012 T HN 0.428 nan 8.240 nan 0.000 0.512 2013 K N 0.877 121.267 120.400 -0.016 0.000 2.057 2013 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 2013 K C 2.166 178.761 176.600 -0.009 0.000 1.049 2013 K CA 1.656 57.936 56.287 -0.012 0.000 0.931 2013 K CB -0.617 31.874 32.500 -0.014 0.000 0.714 2013 K HN 0.694 nan 8.250 nan 0.000 0.440 2014 N N 0.953 119.647 118.700 -0.010 0.000 2.149 2014 N HA -0.182 4.557 4.740 -0.000 0.000 0.188 2014 N C 1.033 176.539 175.510 -0.005 0.000 1.019 2014 N CA 1.565 54.610 53.050 -0.008 0.000 0.857 2014 N CB -0.121 38.360 38.487 -0.009 0.000 0.997 2014 N HN 0.121 nan 8.380 nan 0.000 0.426 2015 D N -0.083 120.315 120.400 -0.003 0.000 2.182 2015 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 2015 D C 1.686 177.989 176.300 0.005 0.000 0.986 2015 D CA 0.701 54.702 54.000 0.001 0.000 0.847 2015 D CB -0.123 40.681 40.800 0.007 0.000 0.942 2015 D HN 0.407 nan 8.370 nan 0.000 0.467 2016 L N -0.235 120.990 121.223 0.004 0.000 2.395 2016 L HA -0.020 4.319 4.340 -0.000 0.000 0.218 2016 L C 0.479 177.348 176.870 -0.001 0.000 1.130 2016 L CA 0.342 55.184 54.840 0.003 0.000 0.826 2016 L CB -0.385 41.672 42.059 -0.004 0.000 0.941 2016 L HN 0.052 nan 8.230 nan 0.000 0.451 2017 Q N 0.090 119.888 119.800 -0.003 0.000 2.435 2017 Q HA -0.272 4.068 4.340 -0.000 0.000 0.312 2017 Q C 1.074 177.070 176.000 -0.007 0.000 1.333 2017 Q CA 0.301 56.102 55.803 -0.004 0.000 0.883 2017 Q CB -1.673 27.065 28.738 -0.000 0.000 1.170 2017 Q HN 0.726 nan 8.270 nan 0.000 0.443 2018 G N -1.906 106.888 108.800 -0.010 0.000 2.179 2018 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 2018 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 2018 G C 0.321 175.208 174.900 -0.022 0.000 0.977 2018 G CA 0.197 45.288 45.100 -0.014 0.000 0.641 2018 G HN 1.208 nan 8.290 nan 0.000 0.533 2019 A N -0.314 122.493 122.820 -0.023 0.000 2.540 2019 A HA 0.524 4.844 4.320 -0.000 0.000 0.239 2019 A C 1.056 178.605 177.584 -0.060 0.000 1.061 2019 A CA 1.497 53.512 52.037 -0.037 0.000 0.758 2019 A CB 0.161 19.142 19.000 -0.032 0.000 0.991 2019 A HN 0.631 nan 8.150 nan 0.000 0.502 2020 Q N 0.796 120.549 119.800 -0.079 0.000 2.140 2020 Q HA 0.357 4.697 4.340 -0.000 0.000 0.227 2020 Q C -0.524 175.372 176.000 -0.174 0.000 0.798 2020 Q CA -0.008 55.732 55.803 -0.105 0.000 0.987 2020 Q CB 0.777 29.472 28.738 -0.071 0.000 1.161 2020 Q HN 0.721 nan 8.270 nan 0.000 0.480 2021 L N 0.495 121.614 121.223 -0.174 0.000 2.408 2021 L HA 0.857 5.197 4.340 -0.000 0.000 0.268 2021 L C -1.860 174.876 176.870 -0.223 0.000 0.986 2021 L CA -0.691 54.014 54.840 -0.226 0.000 0.820 2021 L CB 1.828 43.806 42.059 -0.135 0.000 1.303 2021 L HN -0.062 nan 8.230 nan 0.000 0.411 2022 A N 5.399 128.030 122.820 -0.314 0.000 2.414 2022 A HA 0.749 5.068 4.320 -0.000 0.000 0.306 2022 A C -1.173 176.376 177.584 -0.059 0.000 1.054 2022 A CA -0.546 51.386 52.037 -0.173 0.000 0.724 2022 A CB 1.302 20.188 19.000 -0.190 0.000 1.267 2022 A HN 0.650 nan 8.150 nan 0.000 0.418 2023 I N 2.333 122.906 120.570 0.005 0.000 2.336 2023 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 2023 I C -0.324 175.838 176.117 0.074 0.000 0.991 2023 I CA -0.804 60.516 61.300 0.033 0.000 1.227 2023 I CB 1.876 39.879 38.000 0.006 0.000 1.366 2023 I HN 0.450 nan 8.210 nan 0.000 0.466 2024 V N 5.404 125.378 119.914 0.101 0.000 2.276 2024 V HA 0.479 4.599 4.120 -0.000 0.000 0.268 2024 V C -2.496 173.641 176.094 0.071 0.000 1.032 2024 V CA -1.700 60.668 62.300 0.114 0.000 0.810 2024 V CB 0.226 32.150 31.823 0.169 0.000 1.060 2024 V HN 0.476 nan 8.190 nan 0.000 0.446 2025 P HA 0.338 nan 4.420 nan 0.000 0.293 2025 P C 0.943 178.263 177.300 0.034 0.000 1.304 2025 P CA 0.265 63.381 63.100 0.026 0.000 0.767 2025 P CB 1.694 33.398 31.700 0.006 0.000 1.247 2026 G N -0.574 108.236 108.800 0.016 0.000 2.459 2026 G HA2 0.008 3.968 3.960 -0.000 0.000 0.213 2026 G HA3 0.008 3.968 3.960 -0.000 0.000 0.213 2026 G C 0.046 174.953 174.900 0.012 0.000 1.155 2026 G CA 0.371 45.479 45.100 0.014 0.000 0.811 2026 G HN 0.687 nan 8.290 nan 0.000 0.534 2027 D N -1.568 118.838 120.400 0.011 0.000 2.350 2027 D HA 0.485 5.124 4.640 -0.000 0.000 0.238 2027 D C -2.146 174.163 176.300 0.015 0.000 0.989 2027 D CA -1.998 52.008 54.000 0.009 0.000 0.921 2027 D CB 2.210 43.015 40.800 0.008 0.000 1.297 2027 D HN -0.185 nan 8.370 nan 0.000 0.490 2028 P HA -0.121 nan 4.420 nan 0.000 0.217 2028 P C 0.724 178.035 177.300 0.018 0.000 1.150 2028 P CA 1.121 64.252 63.100 0.052 0.000 0.832 2028 P CB 0.199 31.942 31.700 0.071 0.000 0.787 2029 E N -0.708 119.494 120.200 0.002 0.000 2.051 2029 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 2029 E C 2.134 178.695 176.600 -0.064 0.000 0.991 2029 E CA 1.121 57.508 56.400 -0.022 0.000 0.799 2029 E CB -0.639 29.053 29.700 -0.013 0.000 0.748 2029 E HN 0.124 nan 8.360 nan 0.000 0.449 2030 R N 0.196 120.665 120.500 -0.053 0.000 2.115 2030 R HA -0.076 4.263 4.340 -0.000 0.000 0.230 2030 R C 1.970 178.201 176.300 -0.116 0.000 1.111 2030 R CA 0.777 56.835 56.100 -0.070 0.000 0.976 2030 R CB -0.099 30.177 30.300 -0.040 0.000 0.870 2030 R HN 0.064 nan 8.270 nan 0.000 0.445 2031 V N 0.984 120.828 119.914 -0.117 0.000 2.295 2031 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 2031 V C 2.243 178.059 176.094 -0.464 0.000 1.049 2031 V CA 2.272 64.459 62.300 -0.189 0.000 1.024 2031 V CB -0.505 31.273 31.823 -0.075 0.000 0.648 2031 V HN 0.479 nan 8.190 nan 0.000 0.447 2032 E N 0.110 119.992 120.200 -0.531 0.000 2.077 2032 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 2032 E C 2.236 178.510 176.600 -0.543 0.000 0.989 2032 E CA 1.507 57.408 56.400 -0.831 0.000 0.800 2032 E CB -0.057 29.384 29.700 -0.431 0.000 0.746 2032 E HN 0.566 nan 8.360 nan 0.000 0.452 2033 K N 0.032 120.250 120.400 -0.302 0.000 2.097 2033 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 2033 K C 2.096 178.583 176.600 -0.188 0.000 1.049 2033 K CA 1.356 57.523 56.287 -0.200 0.000 0.933 2033 K CB -0.057 32.366 32.500 -0.128 0.000 0.717 2033 K HN 0.229 nan 8.250 nan 0.000 0.442 2034 I N 0.608 121.057 120.570 -0.201 0.000 2.233 2034 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 2034 I C 2.431 178.447 176.117 -0.169 0.000 1.093 2034 I CA 0.955 62.165 61.300 -0.149 0.000 1.380 2034 I CB -0.324 37.605 38.000 -0.118 0.000 1.067 2034 I HN 0.123 nan 8.210 nan 0.000 0.413 2035 A N 0.816 123.467 122.820 -0.281 0.000 1.972 2035 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 2035 A C 2.485 179.965 177.584 -0.173 0.000 1.169 2035 A CA 1.759 53.651 52.037 -0.242 0.000 0.635 2035 A CB -0.784 17.942 19.000 -0.456 0.000 0.810 2035 A HN 0.437 nan 8.150 nan 0.000 0.446 2036 A N -0.486 122.198 122.820 -0.227 0.000 2.070 2036 A HA 0.039 4.359 4.320 -0.000 0.000 0.220 2036 A C 1.959 179.504 177.584 -0.066 0.000 1.159 2036 A CA 1.274 53.236 52.037 -0.125 0.000 0.656 2036 A CB -0.474 18.446 19.000 -0.134 0.000 0.800 2036 A HN 0.495 nan 8.150 nan 0.000 0.453 2037 L N -1.415 119.767 121.223 -0.069 0.000 2.492 2037 L HA 0.107 4.447 4.340 -0.000 0.000 0.223 2037 L C 1.181 178.037 176.870 -0.024 0.000 1.132 2037 L CA 0.029 54.846 54.840 -0.039 0.000 0.850 2037 L CB -0.308 41.728 42.059 -0.038 0.000 0.966 2037 L HN 0.418 nan 8.230 nan 0.000 0.454 2038 M N -1.206 118.380 119.600 -0.022 0.000 2.679 2038 M HA 0.253 4.733 4.480 -0.000 0.000 0.287 2038 M C -0.513 175.794 176.300 0.012 0.000 1.202 2038 M CA -0.754 54.543 55.300 -0.004 0.000 0.911 2038 M CB 0.904 33.503 32.600 -0.001 0.000 1.556 2038 M HN -0.178 nan 8.290 nan 0.000 0.511 2039 D N 0.917 121.328 120.400 0.017 0.000 2.283 2039 D HA 0.179 4.818 4.640 -0.000 0.000 0.248 2039 D C -0.410 175.915 176.300 0.041 0.000 1.072 2039 D CA -0.023 53.991 54.000 0.025 0.000 0.929 2039 D CB 0.685 41.495 40.800 0.017 0.000 1.182 2039 D HN 0.417 nan 8.370 nan 0.000 0.433 2040 K N -0.345 120.083 120.400 0.046 0.000 3.311 2040 K HA -0.143 4.177 4.320 -0.000 0.000 0.270 2040 K C -2.278 174.379 176.600 0.094 0.000 0.927 2040 K CA 0.110 56.432 56.287 0.058 0.000 0.706 2040 K CB -1.395 31.130 32.500 0.041 0.000 1.418 2040 K HN 0.372 nan 8.250 nan 0.000 0.459 2041 P HA 0.109 nan 4.420 nan 0.000 0.271 2041 P C -0.359 177.116 177.300 0.291 0.000 1.220 2041 P CA -0.028 63.227 63.100 0.259 0.000 0.768 2041 P CB 1.262 33.121 31.700 0.265 0.000 0.848 2042 V N 4.192 124.263 119.914 0.262 0.000 2.623 2042 V HA 0.264 4.383 4.120 -0.000 0.000 0.304 2042 V C 0.351 176.271 176.094 -0.290 0.000 1.054 2042 V CA -0.861 61.431 62.300 -0.014 0.000 0.882 2042 V CB 2.093 33.903 31.823 -0.022 0.000 1.002 2042 V HN 0.482 nan 8.190 nan 0.000 0.424 2043 K N 3.637 123.485 120.400 -0.921 0.000 2.339 2043 K HA 0.424 4.744 4.320 -0.000 0.000 0.286 2043 K C 0.376 176.641 176.600 -0.559 0.000 1.050 2043 K CA -0.253 55.218 56.287 -1.360 0.000 0.956 2043 K CB 0.789 32.332 32.500 -1.595 0.000 0.990 2043 K HN 0.649 nan 8.250 nan 0.000 0.475 2044 L N 2.755 123.767 121.223 -0.352 0.000 2.200 2044 L HA 0.291 4.631 4.340 -0.000 0.000 0.200 2044 L C 0.653 177.460 176.870 -0.106 0.000 1.072 2044 L CA 0.222 54.972 54.840 -0.150 0.000 0.787 2044 L CB 0.131 42.166 42.059 -0.039 0.000 0.957 2044 L HN 0.730 nan 8.230 nan 0.000 0.459 2045 A N -1.233 121.532 122.820 -0.091 0.000 2.566 2045 A HA 0.628 4.948 4.320 -0.000 0.000 0.290 2045 A C -1.200 176.323 177.584 -0.102 0.000 1.071 2045 A CA -0.294 51.697 52.037 -0.076 0.000 0.658 2045 A CB 1.636 20.692 19.000 0.094 0.000 1.285 2045 A HN -0.157 nan 8.150 nan 0.000 0.427 2046 S N 0.411 115.929 115.700 -0.303 0.000 2.680 2046 S HA 0.594 5.064 4.470 -0.000 0.000 0.262 2046 S C -1.882 172.447 174.600 -0.452 0.000 1.138 2046 S CA -0.464 57.609 58.200 -0.212 0.000 1.072 2046 S CB 0.241 63.367 63.200 -0.125 0.000 1.097 2046 S HN 0.707 nan 8.310 nan 0.000 0.468 2047 H N 4.204 123.362 119.070 0.146 0.000 2.924 2047 H HA 0.523 5.079 4.556 -0.000 0.000 0.333 2047 H C 0.633 176.057 175.328 0.161 0.000 0.979 2047 H CA -0.474 55.668 56.048 0.157 0.000 1.326 2047 H CB 1.341 31.222 29.762 0.198 0.000 1.600 2047 H HN 0.753 nan 8.280 nan 0.000 0.520 2048 R N 1.061 121.656 120.500 0.160 0.000 3.835 2048 R HA -0.295 4.045 4.340 -0.000 0.000 0.455 2048 R C 0.565 176.794 176.300 -0.117 0.000 0.241 2048 R CA 1.710 57.828 56.100 0.031 0.000 1.439 2048 R CB -0.755 29.587 30.300 0.069 0.000 0.987 2048 R HN 0.565 nan 8.270 nan 0.000 0.570 2049 E N 0.695 120.653 120.200 -0.404 0.000 2.511 2049 E HA 0.066 4.415 4.350 -0.000 0.000 0.196 2049 E C -0.266 176.030 176.600 -0.508 0.000 1.066 2049 E CA 0.547 56.649 56.400 -0.497 0.000 0.871 2049 E CB 0.012 29.348 29.700 -0.606 0.000 0.863 2049 E HN 0.181 nan 8.360 nan 0.000 0.520 2050 F N 0.679 120.694 119.950 0.109 0.000 2.303 2050 F HA 0.306 4.833 4.527 -0.001 0.000 0.368 2050 F C 0.161 176.033 175.800 0.120 0.000 1.105 2050 F CA -0.745 57.327 58.000 0.120 0.000 1.153 2050 F CB 1.092 40.180 39.000 0.147 0.000 1.362 2050 F HN -0.340 nan 8.300 nan 0.000 0.511 2051 T N 2.079 116.776 114.554 0.238 0.000 2.758 2051 T HA 0.462 4.812 4.350 -0.000 0.000 0.285 2051 T C -0.214 174.656 174.700 0.283 0.000 0.981 2051 T CA -0.773 61.455 62.100 0.213 0.000 0.965 2051 T CB 1.057 70.041 68.868 0.193 0.000 0.927 2051 T HN 0.547 nan 8.240 nan 0.000 0.448 2052 S N 2.307 118.160 115.700 0.256 0.000 2.536 2052 S HA 0.826 5.296 4.470 -0.000 0.000 0.298 2052 S C -1.528 173.244 174.600 0.287 0.000 1.083 2052 S CA -0.973 57.396 58.200 0.281 0.000 0.995 2052 S CB 1.395 64.710 63.200 0.192 0.000 1.058 2052 S HN 0.656 nan 8.310 nan 0.000 0.488 2053 W N 0.640 121.963 121.300 0.039 0.000 2.962 2053 W HA 0.693 5.352 4.660 -0.001 0.000 0.341 2053 W C 0.073 176.603 176.519 0.018 0.000 1.155 2053 W CA -0.812 56.547 57.345 0.024 0.000 1.165 2053 W CB 1.867 31.338 29.460 0.019 0.000 1.435 2053 W HN 0.820 nan 8.180 nan 0.000 0.546 2054 R N 1.369 122.019 120.500 0.251 0.000 2.740 2054 R HA 0.915 5.255 4.340 -0.000 0.000 0.282 2054 R C -0.864 175.534 176.300 0.162 0.000 0.969 2054 R CA -0.429 55.759 56.100 0.147 0.000 0.918 2054 R CB 1.735 32.080 30.300 0.075 0.000 1.175 2054 R HN 0.651 nan 8.270 nan 0.000 0.464 2055 A N 2.438 125.321 122.820 0.105 0.000 2.515 2055 A HA 0.546 4.865 4.320 -0.000 0.000 0.299 2055 A C -1.685 175.926 177.584 0.045 0.000 1.179 2055 A CA -0.803 51.286 52.037 0.085 0.000 0.656 2055 A CB 1.722 20.770 19.000 0.081 0.000 1.306 2055 A HN 0.727 nan 8.150 nan 0.000 0.459 2056 E N -0.407 119.812 120.200 0.032 0.000 2.317 2056 E HA 0.646 4.996 4.350 -0.000 0.000 0.270 2056 E C -1.787 174.817 176.600 0.008 0.000 0.885 2056 E CA -0.550 55.859 56.400 0.016 0.000 0.760 2056 E CB 2.550 32.259 29.700 0.015 0.000 1.227 2056 E HN 0.458 nan 8.360 nan 0.000 0.434 2057 L N 2.412 123.635 121.223 -0.000 0.000 2.406 2057 L HA 0.296 4.636 4.340 -0.000 0.000 0.272 2057 L C -0.956 175.910 176.870 -0.007 0.000 0.980 2057 L CA -0.670 54.167 54.840 -0.005 0.000 0.831 2057 L CB 1.561 43.613 42.059 -0.011 0.000 1.253 2057 L HN 0.560 nan 8.230 nan 0.000 0.406 2058 D N 3.110 123.507 120.400 -0.006 0.000 2.708 2058 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 2058 D C 1.182 177.479 176.300 -0.005 0.000 1.146 2058 D CA 1.648 55.645 54.000 -0.006 0.000 0.662 2058 D CB -0.873 39.922 40.800 -0.009 0.000 1.059 2058 D HN 1.095 nan 8.370 nan 0.000 0.428 2059 G N -0.953 107.845 108.800 -0.002 0.000 2.184 2059 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.264 2059 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.264 2059 G C 0.279 175.177 174.900 -0.002 0.000 0.975 2059 G CA 0.814 45.913 45.100 -0.001 0.000 0.642 2059 G HN 0.512 nan 8.290 nan 0.000 0.536 2060 K N 0.553 120.950 120.400 -0.005 0.000 2.182 2060 K HA 0.707 5.027 4.320 -0.000 0.000 0.262 2060 K C 0.480 177.076 176.600 -0.006 0.000 0.957 2060 K CA -0.130 56.152 56.287 -0.008 0.000 0.842 2060 K CB 1.907 34.399 32.500 -0.014 0.000 1.099 2060 K HN 0.450 nan 8.250 nan 0.000 0.438 2061 A N 2.316 125.132 122.820 -0.006 0.000 2.477 2061 A HA 0.359 4.679 4.320 -0.000 0.000 0.246 2061 A C -0.284 177.294 177.584 -0.011 0.000 1.078 2061 A CA -0.190 51.846 52.037 -0.002 0.000 0.770 2061 A CB 0.296 19.295 19.000 -0.001 0.000 1.011 2061 A HN 0.427 nan 8.150 nan 0.000 0.494 2062 V N 3.822 123.736 119.914 -0.001 0.000 2.841 2062 V HA 0.396 4.515 4.120 -0.000 0.000 0.310 2062 V C -0.580 175.521 176.094 0.013 0.000 1.090 2062 V CA -0.651 61.642 62.300 -0.012 0.000 0.930 2062 V CB 1.926 33.741 31.823 -0.014 0.000 1.014 2062 V HN 0.760 nan 8.190 nan 0.000 0.425 2063 I N 3.603 124.173 120.570 -0.000 0.000 2.460 2063 I HA 0.585 4.754 4.170 -0.000 0.000 0.298 2063 I C -0.405 175.742 176.117 0.050 0.000 0.989 2063 I CA -0.626 60.697 61.300 0.040 0.000 1.173 2063 I CB 1.996 40.012 38.000 0.026 0.000 1.338 2063 I HN 0.271 nan 8.210 nan 0.000 0.456 2064 V N 4.826 124.801 119.914 0.101 0.000 2.531 2064 V HA 0.466 4.586 4.120 -0.000 0.000 0.301 2064 V C -0.539 175.644 176.094 0.148 0.000 1.034 2064 V CA -0.494 61.859 62.300 0.087 0.000 0.865 2064 V CB 2.168 34.011 31.823 0.032 0.000 0.995 2064 V HN 0.914 nan 8.190 nan 0.000 0.424 2065 C N 4.639 124.025 119.300 0.143 0.000 2.701 2065 C HA 0.713 5.173 4.460 -0.000 0.000 0.336 2065 C C 0.436 175.535 174.990 0.181 0.000 1.123 2065 C CA -0.349 58.783 59.018 0.190 0.000 1.326 2065 C CB 1.383 29.244 27.740 0.201 0.000 1.833 2065 C HN 1.058 nan 8.230 nan 0.000 0.473 2066 S N 3.146 118.960 115.700 0.190 0.000 2.576 2066 S HA 0.348 4.817 4.470 -0.000 0.000 0.276 2066 S C 0.952 175.682 174.600 0.216 0.000 1.339 2066 S CA 0.414 58.702 58.200 0.147 0.000 1.039 2066 S CB 1.319 64.576 63.200 0.095 0.000 0.902 2066 S HN 1.079 nan 8.310 nan 0.000 0.516 2067 T N -0.824 113.819 114.554 0.149 0.000 3.037 2067 T HA 0.523 4.872 4.350 -0.000 0.000 0.252 2067 T C 1.210 175.956 174.700 0.077 0.000 1.073 2067 T CA 0.390 62.606 62.100 0.193 0.000 1.091 2067 T CB -0.881 68.056 68.868 0.115 0.000 0.935 2067 T HN 1.924 nan 8.240 nan 0.000 0.488 2068 G N 1.647 110.428 108.800 -0.032 0.000 2.627 2068 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.214 2068 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.214 2068 G C -0.888 173.990 174.900 -0.037 0.000 1.331 2068 G CA -0.495 44.544 45.100 -0.101 0.000 0.891 2068 G HN 0.428 nan 8.290 nan 0.000 0.539 2069 I N 2.523 123.073 120.570 -0.034 0.000 2.342 2069 I HA 0.567 4.737 4.170 -0.000 0.000 0.291 2069 I C 1.259 177.366 176.117 -0.018 0.000 1.010 2069 I CA 1.433 62.723 61.300 -0.016 0.000 1.308 2069 I CB -0.216 37.796 38.000 0.019 0.000 1.400 2069 I HN 2.336 nan 8.210 nan 0.000 0.488 2070 G N 4.612 113.392 108.800 -0.035 0.000 2.746 2070 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.685 2070 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.685 2070 G C 0.684 175.572 174.900 -0.020 0.000 1.350 2070 G CA -0.378 44.703 45.100 -0.032 0.000 0.837 2070 G HN 0.922 nan 8.290 nan 0.000 0.564 2071 G N 0.083 108.869 108.800 -0.024 0.000 2.440 2071 G HA2 0.078 4.038 3.960 -0.000 0.000 0.218 2071 G HA3 0.078 4.038 3.960 -0.000 0.000 0.218 2071 G C 0.138 175.034 174.900 -0.007 0.000 1.154 2071 G CA 2.137 47.225 45.100 -0.020 0.000 0.767 2071 G HN 0.697 nan 8.290 nan 0.000 0.552 2072 P HA -0.146 nan 4.420 nan 0.000 0.213 2072 P C 2.516 179.836 177.300 0.033 0.000 1.170 2072 P CA 2.520 65.613 63.100 -0.011 0.000 0.902 2072 P CB -0.249 31.438 31.700 -0.021 0.000 0.789 2073 S N -1.906 113.830 115.700 0.060 0.000 2.383 2073 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 2073 S C 1.970 176.697 174.600 0.212 0.000 1.026 2073 S CA 1.936 60.235 58.200 0.165 0.000 0.981 2073 S CB -2.026 61.222 63.200 0.080 0.000 0.818 2073 S HN 0.097 nan 8.310 nan 0.000 0.472 2074 T N 3.116 117.731 114.554 0.101 0.000 2.684 2074 T HA -0.135 4.214 4.350 -0.000 0.000 0.267 2074 T C 2.344 177.038 174.700 -0.010 0.000 1.036 2074 T CA 1.964 64.098 62.100 0.056 0.000 1.148 2074 T CB -0.830 68.033 68.868 -0.009 0.000 0.863 2074 T HN 0.805 nan 8.240 nan 0.000 0.436 2075 S N 1.254 116.948 115.700 -0.010 0.000 2.400 2075 S HA -0.059 4.410 4.470 -0.000 0.000 0.232 2075 S C 2.059 176.642 174.600 -0.027 0.000 1.025 2075 S CA 0.890 59.082 58.200 -0.012 0.000 0.993 2075 S CB -0.771 62.523 63.200 0.156 0.000 0.808 2075 S HN 0.518 nan 8.310 nan 0.000 0.478 2076 I N 2.046 122.585 120.570 -0.051 0.000 2.233 2076 I HA -0.077 4.093 4.170 -0.000 0.000 0.243 2076 I C 3.123 179.077 176.117 -0.272 0.000 1.093 2076 I CA 1.021 62.210 61.300 -0.185 0.000 1.380 2076 I CB -0.746 37.050 38.000 -0.340 0.000 1.067 2076 I HN 0.422 nan 8.210 nan 0.000 0.413 2077 A N 0.587 123.244 122.820 -0.272 0.000 1.883 2077 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 2077 A C 2.420 179.949 177.584 -0.090 0.000 1.186 2077 A CA 1.968 53.866 52.037 -0.232 0.000 0.624 2077 A CB -1.050 17.977 19.000 0.045 0.000 0.822 2077 A HN 0.242 nan 8.150 nan 0.000 0.444 2078 V N 0.165 119.990 119.914 -0.149 0.000 2.343 2078 V HA -0.246 3.873 4.120 -0.000 0.000 0.247 2078 V C 2.630 178.602 176.094 -0.205 0.000 1.051 2078 V CA 2.481 64.574 62.300 -0.345 0.000 1.036 2078 V CB -0.764 30.672 31.823 -0.644 0.000 0.654 2078 V HN 0.778 nan 8.190 nan 0.000 0.451 2079 E N 0.923 121.046 120.200 -0.129 0.000 2.051 2079 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 2079 E C 2.086 178.700 176.600 0.023 0.000 0.991 2079 E CA 1.912 58.295 56.400 -0.029 0.000 0.799 2079 E CB -0.321 29.396 29.700 0.029 0.000 0.748 2079 E HN 0.670 nan 8.360 nan 0.000 0.449 2080 E N -0.072 120.127 120.200 -0.002 0.000 2.150 2080 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 2080 E C 2.238 178.865 176.600 0.045 0.000 0.985 2080 E CA 0.925 57.332 56.400 0.012 0.000 0.814 2080 E CB -0.118 29.565 29.700 -0.029 0.000 0.752 2080 E HN 0.316 nan 8.360 nan 0.000 0.466 2081 L N 0.500 121.781 121.223 0.096 0.000 2.141 2081 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 2081 L C 2.530 179.516 176.870 0.193 0.000 1.094 2081 L CA 0.785 55.724 54.840 0.165 0.000 0.763 2081 L CB -0.345 41.904 42.059 0.316 0.000 0.908 2081 L HN 0.143 nan 8.230 nan 0.000 0.437 2082 A N -0.553 122.425 122.820 0.262 0.000 1.898 2082 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 2082 A C 2.185 179.832 177.584 0.104 0.000 1.181 2082 A CA 1.366 53.538 52.037 0.226 0.000 0.620 2082 A CB -0.424 18.689 19.000 0.188 0.000 0.819 2082 A HN 0.446 nan 8.150 nan 0.000 0.442 2083 Q N -0.636 119.208 119.800 0.073 0.000 2.226 2083 Q HA -0.049 4.291 4.340 -0.000 0.000 0.204 2083 Q C 1.590 177.603 176.000 0.021 0.000 0.975 2083 Q CA 1.107 56.932 55.803 0.037 0.000 0.866 2083 Q CB -0.246 28.504 28.738 0.021 0.000 0.915 2083 Q HN 0.675 nan 8.270 nan 0.000 0.440 2084 L N -1.455 119.784 121.223 0.027 0.000 2.591 2084 L HA 0.133 4.473 4.340 -0.000 0.000 0.228 2084 L C 1.185 178.058 176.870 0.005 0.000 1.133 2084 L CA 0.524 55.370 54.840 0.010 0.000 0.880 2084 L CB 0.286 42.352 42.059 0.012 0.000 1.033 2084 L HN 0.411 nan 8.230 nan 0.000 0.450 2085 G N -0.422 108.386 108.800 0.013 0.000 2.229 2085 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.189 2085 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.189 2085 G C 0.236 175.118 174.900 -0.031 0.000 1.000 2085 G CA -0.696 44.402 45.100 -0.003 0.000 0.663 2085 G HN 0.043 nan 8.290 nan 0.000 0.493 2086 I N 1.303 121.841 120.570 -0.052 0.000 2.556 2086 I HA 0.320 4.490 4.170 -0.000 0.000 0.284 2086 I C 1.298 177.320 176.117 -0.158 0.000 1.114 2086 I CA 0.286 61.462 61.300 -0.207 0.000 1.418 2086 I CB 1.014 38.765 38.000 -0.414 0.000 1.394 2086 I HN 0.101 nan 8.210 nan 0.000 0.552 2087 R N 2.919 123.299 120.500 -0.199 0.000 2.487 2087 R HA 0.203 4.542 4.340 -0.000 0.000 0.272 2087 R C -0.259 176.011 176.300 -0.051 0.000 0.928 2087 R CA 0.175 56.250 56.100 -0.043 0.000 1.077 2087 R CB 0.648 30.940 30.300 -0.015 0.000 1.265 2087 R HN 0.539 nan 8.270 nan 0.000 0.537 2088 T N 1.182 115.576 114.554 -0.266 0.000 2.881 2088 T HA 0.597 4.946 4.350 -0.000 0.000 0.290 2088 T C -1.100 173.364 174.700 -0.392 0.000 1.000 2088 T CA -0.286 61.718 62.100 -0.160 0.000 0.978 2088 T CB 1.338 70.142 68.868 -0.106 0.000 0.997 2088 T HN -0.174 nan 8.240 nan 0.000 0.443 2089 F N 2.431 122.372 119.950 -0.016 0.000 2.529 2089 F HA 0.641 5.167 4.527 -0.000 0.000 0.320 2089 F C -0.371 175.417 175.800 -0.019 0.000 1.118 2089 F CA -1.105 56.884 58.000 -0.017 0.000 0.915 2089 F CB 1.499 40.484 39.000 -0.026 0.000 1.161 2089 F HN 0.206 nan 8.300 nan 0.000 0.445 2090 L N 3.939 125.241 121.223 0.131 0.000 2.376 2090 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 2090 L C -0.362 176.549 176.870 0.069 0.000 0.987 2090 L CA -0.697 54.185 54.840 0.070 0.000 0.828 2090 L CB 2.176 44.248 42.059 0.021 0.000 1.249 2090 L HN 0.608 nan 8.230 nan 0.000 0.409 2091 R N 4.036 124.567 120.500 0.051 0.000 2.532 2091 R HA 0.636 4.976 4.340 -0.000 0.000 0.295 2091 R C -1.297 175.011 176.300 0.014 0.000 0.968 2091 R CA -0.584 55.536 56.100 0.034 0.000 0.916 2091 R CB 1.929 32.242 30.300 0.022 0.000 1.124 2091 R HN 0.534 nan 8.270 nan 0.000 0.463 2092 I N 2.930 123.505 120.570 0.009 0.000 2.545 2092 I HA 0.671 4.841 4.170 -0.000 0.000 0.292 2092 I C -1.012 175.103 176.117 -0.004 0.000 1.040 2092 I CA -0.200 61.100 61.300 -0.000 0.000 1.068 2092 I CB 1.773 39.771 38.000 -0.003 0.000 1.251 2092 I HN 0.856 nan 8.210 nan 0.000 0.424 2093 G N 4.154 112.951 108.800 -0.006 0.000 2.687 2093 G HA2 0.673 4.633 3.960 -0.000 0.000 0.291 2093 G HA3 0.673 4.633 3.960 -0.000 0.000 0.291 2093 G C -1.439 173.458 174.900 -0.005 0.000 1.420 2093 G CA -0.427 44.668 45.100 -0.008 0.000 0.796 2093 G HN 0.666 nan 8.290 nan 0.000 0.485 2094 T N -1.630 112.923 114.554 -0.002 0.000 2.848 2094 T HA 0.783 5.133 4.350 -0.000 0.000 0.285 2094 T C -0.077 174.629 174.700 0.010 0.000 0.995 2094 T CA -0.225 61.878 62.100 0.005 0.000 0.970 2094 T CB 1.606 70.477 68.868 0.006 0.000 0.976 2094 T HN 1.336 nan 8.240 nan 0.000 0.441 2095 T N -0.361 114.201 114.554 0.014 0.000 2.754 2095 T HA 0.834 5.184 4.350 -0.000 0.000 0.296 2095 T C 0.295 175.013 174.700 0.030 0.000 1.205 2095 T CA -0.600 61.513 62.100 0.022 0.000 1.009 2095 T CB 1.397 70.273 68.868 0.015 0.000 1.368 2095 T HN 0.955 nan 8.240 nan 0.000 0.509 2096 G N -0.584 108.243 108.800 0.044 0.000 2.511 2096 G HA2 0.727 4.687 3.960 -0.000 0.000 0.316 2096 G HA3 0.727 4.687 3.960 -0.000 0.000 0.316 2096 G C -0.559 174.361 174.900 0.033 0.000 1.210 2096 G CA -0.539 44.586 45.100 0.041 0.000 0.969 2096 G HN 1.167 nan 8.290 nan 0.000 0.492 2097 A N -0.830 121.999 122.820 0.016 0.000 2.384 2097 A HA 0.670 4.989 4.320 -0.000 0.000 0.312 2097 A C 0.370 177.959 177.584 0.009 0.000 1.113 2097 A CA -0.633 51.397 52.037 -0.012 0.000 0.779 2097 A CB 1.244 20.200 19.000 -0.073 0.000 1.307 2097 A HN 1.199 nan 8.150 nan 0.000 0.436 2098 I N -2.669 117.906 120.570 0.008 0.000 4.147 2098 I HA 0.306 4.476 4.170 -0.000 0.000 0.329 2098 I C -0.456 175.673 176.117 0.020 0.000 1.424 2098 I CA -0.191 61.136 61.300 0.046 0.000 1.127 2098 I CB 0.391 38.462 38.000 0.118 0.000 1.128 2098 I HN 0.263 nan 8.210 nan 0.000 0.417 2099 Q N 1.980 121.750 119.800 -0.050 0.000 2.293 2099 Q HA 0.405 4.745 4.340 -0.000 0.000 0.261 2099 Q C -1.957 173.995 176.000 -0.080 0.000 0.960 2099 Q CA -2.031 53.744 55.803 -0.046 0.000 0.882 2099 Q CB 2.011 30.666 28.738 -0.138 0.000 1.275 2099 Q HN -0.016 nan 8.270 nan 0.000 0.445 2100 P HA -0.164 nan 4.420 nan 0.000 0.218 2100 P C 0.838 178.157 177.300 0.032 0.000 1.148 2100 P CA 1.378 64.501 63.100 0.037 0.000 0.822 2100 P CB 0.155 31.898 31.700 0.072 0.000 0.784 2101 H N -1.692 117.354 119.070 -0.040 0.000 2.551 2101 H HA 0.140 4.696 4.556 -0.001 0.000 0.266 2101 H C 0.486 175.774 175.328 -0.067 0.000 0.977 2101 H CA 0.043 56.071 56.048 -0.034 0.000 1.163 2101 H CB -0.743 29.003 29.762 -0.026 0.000 1.381 2101 H HN 0.150 nan 8.280 nan 0.000 0.581 2102 I N 3.195 123.423 120.570 -0.571 0.000 2.325 2102 I HA 0.064 4.234 4.170 -0.000 0.000 0.291 2102 I C -0.240 175.799 176.117 -0.131 0.000 1.019 2102 I CA -0.408 60.611 61.300 -0.469 0.000 1.302 2102 I CB 0.752 38.400 38.000 -0.587 0.000 1.401 2102 I HN 0.087 nan 8.210 nan 0.000 0.485 2103 N N 5.411 124.115 118.700 0.007 0.000 2.466 2103 N HA 0.312 5.052 4.740 -0.000 0.000 0.294 2103 N C -0.492 175.039 175.510 0.034 0.000 1.129 2103 N CA -0.606 52.460 53.050 0.026 0.000 0.931 2103 N CB 2.159 40.677 38.487 0.051 0.000 1.193 2103 N HN 0.163 nan 8.380 nan 0.000 0.500 2104 V N 0.978 120.906 119.914 0.023 0.000 2.617 2104 V HA 0.216 4.336 4.120 -0.000 0.000 0.304 2104 V C 1.524 177.639 176.094 0.035 0.000 1.040 2104 V CA 1.476 63.790 62.300 0.024 0.000 1.149 2104 V CB 0.136 31.970 31.823 0.018 0.000 0.914 2104 V HN 1.079 nan 8.190 nan 0.000 0.487 2105 G N 3.653 112.477 108.800 0.038 0.000 2.259 2105 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 2105 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 2105 G C -0.017 174.918 174.900 0.058 0.000 1.001 2105 G CA -0.009 45.122 45.100 0.050 0.000 0.627 2105 G HN 0.656 nan 8.290 nan 0.000 0.501 2106 D N 0.140 120.578 120.400 0.063 0.000 2.360 2106 D HA 0.508 5.148 4.640 -0.000 0.000 0.242 2106 D C 0.476 176.813 176.300 0.062 0.000 1.184 2106 D CA 0.126 54.166 54.000 0.067 0.000 0.930 2106 D CB 1.613 42.510 40.800 0.163 0.000 1.161 2106 D HN 0.225 nan 8.370 nan 0.000 0.447 2107 V N 1.403 121.337 119.914 0.034 0.000 2.495 2107 V HA 0.358 4.478 4.120 -0.000 0.000 0.298 2107 V C -0.113 176.008 176.094 0.047 0.000 1.031 2107 V CA -0.739 61.578 62.300 0.029 0.000 0.871 2107 V CB 1.483 33.308 31.823 0.002 0.000 0.988 2107 V HN 0.259 nan 8.190 nan 0.000 0.432 2108 L N 5.184 126.437 121.223 0.050 0.000 2.305 2108 L HA 0.637 4.977 4.340 -0.000 0.000 0.284 2108 L C -0.726 176.158 176.870 0.024 0.000 1.013 2108 L CA -0.762 54.113 54.840 0.057 0.000 0.819 2108 L CB 1.870 43.957 42.059 0.046 0.000 1.227 2108 L HN 0.321 nan 8.230 nan 0.000 0.417 2109 V N 1.927 121.855 119.914 0.023 0.000 2.370 2109 V HA 0.288 4.408 4.120 -0.000 0.000 0.283 2109 V C 0.268 176.365 176.094 0.005 0.000 1.023 2109 V CA -0.404 61.898 62.300 0.004 0.000 0.857 2109 V CB 1.773 33.592 31.823 -0.007 0.000 0.985 2109 V HN 0.733 nan 8.190 nan 0.000 0.443 2110 T N 3.502 118.052 114.554 -0.007 0.000 2.749 2110 T HA 0.186 4.536 4.350 -0.000 0.000 0.295 2110 T C 1.346 176.041 174.700 -0.008 0.000 0.936 2110 T CA 0.198 62.289 62.100 -0.015 0.000 1.060 2110 T CB 1.133 69.982 68.868 -0.031 0.000 0.904 2110 T HN 0.956 nan 8.240 nan 0.000 0.500 2111 T N 0.719 115.271 114.554 -0.003 0.000 2.937 2111 T HA 0.466 4.816 4.350 -0.000 0.000 0.260 2111 T C 0.734 175.433 174.700 -0.001 0.000 1.051 2111 T CA 0.265 62.371 62.100 0.010 0.000 1.141 2111 T CB 0.173 69.053 68.868 0.020 0.000 0.879 2111 T HN 0.754 nan 8.240 nan 0.000 0.459 2112 A N 0.027 122.833 122.820 -0.023 0.000 2.608 2112 A HA 0.678 4.998 4.320 -0.000 0.000 0.292 2112 A C -0.978 176.564 177.584 -0.069 0.000 1.066 2112 A CA -0.848 51.168 52.037 -0.036 0.000 0.676 2112 A CB 1.319 20.297 19.000 -0.036 0.000 1.277 2112 A HN 0.214 nan 8.150 nan 0.000 0.413 2113 S N -0.343 115.309 115.700 -0.079 0.000 2.532 2113 S HA 0.616 5.086 4.470 -0.000 0.000 0.301 2113 S C -0.359 174.144 174.600 -0.161 0.000 1.083 2113 S CA -0.576 57.546 58.200 -0.130 0.000 1.025 2113 S CB 1.713 64.845 63.200 -0.114 0.000 1.056 2113 S HN 0.861 nan 8.310 nan 0.000 0.494 2114 V N 3.016 122.765 119.914 -0.276 0.000 2.470 2114 V HA 0.205 4.325 4.120 -0.000 0.000 0.276 2114 V C 0.555 176.509 176.094 -0.234 0.000 1.040 2114 V CA -0.091 62.004 62.300 -0.343 0.000 1.008 2114 V CB 0.084 31.468 31.823 -0.732 0.000 0.990 2114 V HN 0.692 nan 8.190 nan 0.000 0.477 2115 R N 5.445 125.872 120.500 -0.121 0.000 2.891 2115 R HA 0.325 4.665 4.340 -0.000 0.000 0.248 2115 R C 0.043 176.335 176.300 -0.015 0.000 1.439 2115 R CA -0.110 55.963 56.100 -0.044 0.000 1.288 2115 R CB 0.050 30.358 30.300 0.015 0.000 1.212 2115 R HN 0.672 nan 8.270 nan 0.000 0.605 2116 L N 1.589 122.797 121.223 -0.025 0.000 2.872 2116 L HA 0.141 4.481 4.340 -0.000 0.000 0.245 2116 L C 0.273 177.173 176.870 0.049 0.000 1.211 2116 L CA -0.304 54.560 54.840 0.041 0.000 1.013 2116 L CB -0.391 41.711 42.059 0.073 0.000 1.326 2116 L HN 0.480 nan 8.230 nan 0.000 0.525 2117 D N -0.917 119.501 120.400 0.030 0.000 2.442 2117 D HA 0.264 4.903 4.640 -0.000 0.000 0.254 2117 D C 0.880 177.202 176.300 0.036 0.000 1.069 2117 D CA -0.326 53.690 54.000 0.026 0.000 1.017 2117 D CB 1.870 42.675 40.800 0.008 0.000 1.172 2117 D HN -0.070 nan 8.370 nan 0.000 0.561 2118 G N -1.011 107.800 108.800 0.018 0.000 2.576 2118 G HA2 0.170 4.130 3.960 -0.000 0.000 0.210 2118 G HA3 0.170 4.130 3.960 -0.000 0.000 0.210 2118 G C 1.358 176.247 174.900 -0.019 0.000 1.143 2118 G CA 0.597 45.710 45.100 0.022 0.000 0.819 2118 G HN 0.610 nan 8.290 nan 0.000 0.534 2119 A N 1.748 124.514 122.820 -0.091 0.000 1.972 2119 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 2119 A C 2.688 180.340 177.584 0.114 0.000 1.169 2119 A CA 2.417 54.360 52.037 -0.156 0.000 0.635 2119 A CB -0.716 18.244 19.000 -0.066 0.000 0.810 2119 A HN 0.713 nan 8.150 nan 0.000 0.446 2120 S N 0.295 116.086 115.700 0.151 0.000 2.400 2120 S HA -0.130 4.340 4.470 -0.000 0.000 0.232 2120 S C 1.708 176.456 174.600 0.247 0.000 1.025 2120 S CA 1.501 59.841 58.200 0.233 0.000 0.993 2120 S CB -0.791 62.481 63.200 0.120 0.000 0.808 2120 S HN 0.462 nan 8.310 nan 0.000 0.478 2121 L N 0.739 122.076 121.223 0.190 0.000 2.456 2121 L HA -0.014 4.326 4.340 -0.000 0.000 0.224 2121 L C 2.331 179.274 176.870 0.122 0.000 1.148 2121 L CA 1.051 55.984 54.840 0.156 0.000 0.825 2121 L CB -0.703 41.444 42.059 0.148 0.000 0.937 2121 L HN 0.509 nan 8.230 nan 0.000 0.450 2122 H N -1.809 117.179 119.070 -0.136 0.000 2.551 2122 H HA 0.022 4.578 4.556 -0.000 0.000 0.266 2122 H C 1.322 176.253 175.328 -0.662 0.000 0.977 2122 H CA 0.587 56.398 56.048 -0.394 0.000 1.163 2122 H CB 0.429 29.884 29.762 -0.513 0.000 1.381 2122 H HN 0.355 nan 8.280 nan 0.000 0.581 2123 F N -0.251 119.715 119.950 0.028 0.000 2.667 2123 F HA 0.428 4.955 4.527 -0.000 0.000 0.288 2123 F C 0.875 176.582 175.800 -0.155 0.000 1.086 2123 F CA 0.004 57.962 58.000 -0.070 0.000 1.297 2123 F CB 1.035 39.978 39.000 -0.094 0.000 1.059 2123 F HN -0.037 nan 8.300 nan 0.000 0.624 2124 A N 0.330 123.163 122.820 0.021 0.000 2.589 2124 A HA 0.601 4.921 4.320 -0.000 0.000 0.296 2124 A C -2.794 174.803 177.584 0.022 0.000 1.062 2124 A CA -1.363 50.622 52.037 -0.087 0.000 0.686 2124 A CB 0.584 19.366 19.000 -0.363 0.000 1.282 2124 A HN -0.174 nan 8.150 nan 0.000 0.404 2125 P HA 0.125 nan 4.420 nan 0.000 0.272 2125 P C 0.819 178.190 177.300 0.119 0.000 1.240 2125 P CA -0.226 62.916 63.100 0.071 0.000 0.791 2125 P CB 0.463 32.201 31.700 0.064 0.000 0.978 2126 M N 1.391 121.050 119.600 0.097 0.000 2.260 2126 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 2126 M C 1.337 177.705 176.300 0.114 0.000 1.066 2126 M CA 1.932 57.294 55.300 0.103 0.000 1.082 2126 M CB -1.154 31.493 32.600 0.079 0.000 1.388 2126 M HN 0.296 nan 8.290 nan 0.000 0.419 2127 E N -0.942 119.327 120.200 0.115 0.000 2.268 2127 E HA -0.053 4.297 4.350 -0.000 0.000 0.195 2127 E C 0.285 176.953 176.600 0.113 0.000 0.995 2127 E CA 0.432 56.889 56.400 0.095 0.000 0.836 2127 E CB -0.501 29.247 29.700 0.080 0.000 0.763 2127 E HN 0.493 nan 8.360 nan 0.000 0.491 2128 F N 3.146 123.111 119.950 0.025 0.000 2.495 2128 F HA 0.168 4.695 4.527 -0.001 0.000 0.365 2128 F C -1.977 173.833 175.800 0.017 0.000 1.090 2128 F CA -2.931 55.083 58.000 0.023 0.000 1.235 2128 F CB 0.558 39.578 39.000 0.033 0.000 1.119 2128 F HN -0.122 nan 8.300 nan 0.000 0.562 2129 P HA 0.152 nan 4.420 nan 0.000 0.276 2129 P C -1.311 176.017 177.300 0.047 0.000 1.230 2129 P CA -0.422 62.599 63.100 -0.132 0.000 0.776 2129 P CB 1.286 32.839 31.700 -0.245 0.000 0.888 2130 A N 3.966 126.828 122.820 0.070 0.000 3.056 2130 A HA 0.282 4.602 4.320 -0.000 0.000 0.274 2130 A C 0.205 177.806 177.584 0.029 0.000 1.661 2130 A CA -0.425 51.663 52.037 0.084 0.000 1.363 2130 A CB -0.845 18.174 19.000 0.032 0.000 1.139 2130 A HN 0.465 nan 8.150 nan 0.000 0.598 2131 V N 1.751 121.686 119.914 0.034 0.000 2.539 2131 V HA 0.685 4.804 4.120 -0.000 0.000 0.292 2131 V C 0.665 176.781 176.094 0.036 0.000 1.045 2131 V CA -0.171 62.135 62.300 0.011 0.000 0.945 2131 V CB 1.375 33.182 31.823 -0.026 0.000 0.993 2131 V HN 0.892 nan 8.190 nan 0.000 0.464 2132 A N 4.267 127.104 122.820 0.030 0.000 2.332 2132 A HA 0.414 4.734 4.320 -0.000 0.000 0.258 2132 A C 0.006 177.629 177.584 0.065 0.000 1.087 2132 A CA -0.260 51.800 52.037 0.038 0.000 0.802 2132 A CB 0.236 19.249 19.000 0.023 0.000 1.042 2132 A HN 1.021 nan 8.150 nan 0.000 0.489 2133 D N 0.079 120.519 120.400 0.067 0.000 2.389 2133 D HA 0.143 4.783 4.640 -0.000 0.000 0.247 2133 D C 0.681 177.045 176.300 0.108 0.000 1.128 2133 D CA -0.151 53.905 54.000 0.093 0.000 0.884 2133 D CB 0.183 41.029 40.800 0.076 0.000 1.194 2133 D HN 0.369 nan 8.370 nan 0.000 0.441 2134 F N 4.183 124.137 119.950 0.008 0.000 2.095 2134 F HA -0.147 4.380 4.527 -0.001 0.000 0.298 2134 F C 2.056 177.859 175.800 0.004 0.000 1.104 2134 F CA 1.890 59.892 58.000 0.003 0.000 1.232 2134 F CB -0.541 38.460 39.000 0.001 0.000 0.987 2134 F HN 0.508 nan 8.300 nan 0.000 0.475 2135 A N -0.503 122.277 122.820 -0.067 0.000 1.908 2135 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 2135 A C 2.391 179.868 177.584 -0.179 0.000 1.181 2135 A CA 1.913 53.852 52.037 -0.164 0.000 0.627 2135 A CB -1.674 17.317 19.000 -0.016 0.000 0.818 2135 A HN 0.576 nan 8.150 nan 0.000 0.445 2136 C N -1.241 118.003 119.300 -0.094 0.000 2.429 2136 C HA -0.067 4.392 4.460 -0.000 0.000 0.277 2136 C C 3.032 177.959 174.990 -0.105 0.000 1.262 2136 C CA 1.474 60.449 59.018 -0.073 0.000 1.733 2136 C CB -1.547 26.182 27.740 -0.019 0.000 2.010 2136 C HN 0.646 nan 8.230 nan 0.000 0.483 2137 T N 0.604 115.083 114.554 -0.126 0.000 2.746 2137 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 2137 T C 1.805 176.390 174.700 -0.191 0.000 1.039 2137 T CA 2.143 64.168 62.100 -0.125 0.000 1.142 2137 T CB -0.484 68.333 68.868 -0.085 0.000 0.866 2137 T HN 0.594 nan 8.240 nan 0.000 0.444 2138 T N 1.906 116.251 114.554 -0.349 0.000 2.746 2138 T HA -0.008 4.341 4.350 -0.000 0.000 0.267 2138 T C 2.402 176.982 174.700 -0.200 0.000 1.039 2138 T CA 1.139 63.024 62.100 -0.357 0.000 1.142 2138 T CB -0.512 67.997 68.868 -0.599 0.000 0.866 2138 T HN 0.433 nan 8.240 nan 0.000 0.444 2139 A N 1.024 123.742 122.820 -0.169 0.000 1.933 2139 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 2139 A C 2.272 179.808 177.584 -0.081 0.000 1.175 2139 A CA 1.164 53.138 52.037 -0.106 0.000 0.628 2139 A CB -0.758 18.191 19.000 -0.086 0.000 0.814 2139 A HN 0.473 nan 8.150 nan 0.000 0.444 2140 L N -0.813 120.363 121.223 -0.079 0.000 2.072 2140 L HA -0.118 4.221 4.340 -0.000 0.000 0.205 2140 L C 2.492 179.328 176.870 -0.056 0.000 1.079 2140 L CA 0.840 55.646 54.840 -0.056 0.000 0.752 2140 L CB -0.462 41.570 42.059 -0.046 0.000 0.906 2140 L HN 0.228 nan 8.230 nan 0.000 0.436 2141 V N -0.172 119.700 119.914 -0.069 0.000 2.358 2141 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 2141 V C 2.345 178.404 176.094 -0.059 0.000 1.047 2141 V CA 1.725 63.988 62.300 -0.061 0.000 1.035 2141 V CB -0.432 31.352 31.823 -0.066 0.000 0.658 2141 V HN 0.450 nan 8.190 nan 0.000 0.452 2142 E N 0.279 120.439 120.200 -0.067 0.000 2.072 2142 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 2142 E C 2.339 178.909 176.600 -0.050 0.000 0.985 2142 E CA 1.249 57.614 56.400 -0.057 0.000 0.801 2142 E CB -0.323 29.340 29.700 -0.062 0.000 0.750 2142 E HN 0.596 nan 8.360 nan 0.000 0.452 2143 A N 1.524 124.314 122.820 -0.050 0.000 1.902 2143 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 2143 A C 2.391 179.948 177.584 -0.044 0.000 1.181 2143 A CA 1.635 53.647 52.037 -0.043 0.000 0.623 2143 A CB -0.610 18.366 19.000 -0.039 0.000 0.818 2143 A HN 0.288 nan 8.150 nan 0.000 0.443 2144 A N -0.073 122.720 122.820 -0.045 0.000 1.902 2144 A HA -0.171 4.148 4.320 -0.000 0.000 0.217 2144 A C 2.122 179.672 177.584 -0.057 0.000 1.181 2144 A CA 2.085 54.094 52.037 -0.048 0.000 0.623 2144 A CB -0.447 18.526 19.000 -0.045 0.000 0.818 2144 A HN 0.569 nan 8.150 nan 0.000 0.443 2145 K N 0.487 120.855 120.400 -0.054 0.000 2.097 2145 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 2145 K C 2.136 178.705 176.600 -0.051 0.000 1.050 2145 K CA 1.719 57.974 56.287 -0.052 0.000 0.938 2145 K CB -0.229 32.243 32.500 -0.046 0.000 0.718 2145 K HN 0.560 nan 8.250 nan 0.000 0.442 2146 S N 0.860 116.531 115.700 -0.049 0.000 2.442 2146 S HA -0.129 4.341 4.470 -0.000 0.000 0.236 2146 S C 1.677 176.244 174.600 -0.056 0.000 1.007 2146 S CA 1.037 59.209 58.200 -0.047 0.000 0.965 2146 S CB -0.690 62.486 63.200 -0.041 0.000 0.773 2146 S HN 0.554 nan 8.310 nan 0.000 0.504 2147 I N -3.205 117.322 120.570 -0.071 0.000 3.941 2147 I HA 0.613 4.782 4.170 -0.000 0.000 0.335 2147 I C 1.142 177.189 176.117 -0.116 0.000 1.402 2147 I CA -0.086 61.154 61.300 -0.100 0.000 1.112 2147 I CB -0.256 37.668 38.000 -0.128 0.000 1.043 2147 I HN 0.257 nan 8.210 nan 0.000 0.395 2148 G N 1.812 110.561 108.800 -0.086 0.000 2.198 2148 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 2148 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 2148 G C 0.355 175.204 174.900 -0.084 0.000 1.025 2148 G CA 0.117 45.170 45.100 -0.079 0.000 0.769 2148 G HN 0.953 nan 8.290 nan 0.000 0.507 2149 A N -0.194 122.575 122.820 -0.086 0.000 2.371 2149 A HA 0.712 5.032 4.320 -0.000 0.000 0.257 2149 A C 0.782 178.320 177.584 -0.076 0.000 1.089 2149 A CA 0.707 52.700 52.037 -0.073 0.000 0.794 2149 A CB 0.531 19.495 19.000 -0.060 0.000 1.029 2149 A HN 0.748 nan 8.150 nan 0.000 0.488 2150 T N 2.923 117.432 114.554 -0.076 0.000 2.737 2150 T HA 0.427 4.776 4.350 -0.000 0.000 0.296 2150 T C 0.111 174.685 174.700 -0.209 0.000 0.922 2150 T CA 0.399 62.422 62.100 -0.128 0.000 1.079 2150 T CB 0.091 68.905 68.868 -0.090 0.000 0.892 2150 T HN 0.641 nan 8.240 nan 0.000 0.514 2151 T N 4.400 118.795 114.554 -0.266 0.000 2.855 2151 T HA 0.416 4.765 4.350 -0.000 0.000 0.281 2151 T C -0.566 173.889 174.700 -0.408 0.000 1.007 2151 T CA -0.790 61.154 62.100 -0.261 0.000 1.009 2151 T CB 0.868 69.664 68.868 -0.119 0.000 0.983 2151 T HN 0.510 nan 8.240 nan 0.000 0.455 2152 H N 0.958 120.036 119.070 0.012 0.000 2.529 2152 H HA 0.543 5.099 4.556 -0.000 0.000 0.348 2152 H C -0.978 174.359 175.328 0.016 0.000 1.079 2152 H CA -0.508 55.556 56.048 0.028 0.000 1.198 2152 H CB 1.745 31.520 29.762 0.022 0.000 1.521 2152 H HN 0.269 nan 8.280 nan 0.000 0.514 2153 V N 2.428 122.419 119.914 0.129 0.000 2.448 2153 V HA 0.739 4.859 4.120 -0.000 0.000 0.295 2153 V C 0.565 176.701 176.094 0.069 0.000 1.025 2153 V CA -0.270 62.073 62.300 0.071 0.000 0.859 2153 V CB 1.377 33.226 31.823 0.043 0.000 0.988 2153 V HN 1.068 nan 8.190 nan 0.000 0.431 2154 G N 3.092 111.917 108.800 0.043 0.000 2.364 2154 G HA2 0.435 4.394 3.960 -0.000 0.000 0.286 2154 G HA3 0.435 4.394 3.960 -0.000 0.000 0.286 2154 G C -1.406 173.489 174.900 -0.008 0.000 1.241 2154 G CA -0.439 44.676 45.100 0.025 0.000 0.887 2154 G HN 0.495 nan 8.290 nan 0.000 0.484 2155 V N 0.756 120.653 119.914 -0.028 0.000 2.607 2155 V HA 0.629 4.748 4.120 -0.000 0.000 0.289 2155 V C 0.249 176.269 176.094 -0.122 0.000 1.053 2155 V CA -0.049 62.206 62.300 -0.075 0.000 0.996 2155 V CB 1.307 33.080 31.823 -0.084 0.000 0.995 2155 V HN 0.745 nan 8.190 nan 0.000 0.476 2156 T N 3.527 117.982 114.554 -0.164 0.000 2.841 2156 T HA 0.652 5.002 4.350 -0.000 0.000 0.283 2156 T C -0.086 174.402 174.700 -0.354 0.000 1.000 2156 T CA -0.282 61.687 62.100 -0.220 0.000 0.977 2156 T CB 1.631 70.413 68.868 -0.145 0.000 0.979 2156 T HN 0.929 nan 8.240 nan 0.000 0.446 2157 A N 2.329 124.807 122.820 -0.570 0.000 2.320 2157 A HA 0.662 4.981 4.320 -0.000 0.000 0.287 2157 A C 0.279 177.589 177.584 -0.457 0.000 1.181 2157 A CA -0.445 51.100 52.037 -0.820 0.000 0.831 2157 A CB 0.469 18.473 19.000 -1.660 0.000 1.102 2157 A HN 0.630 nan 8.150 nan 0.000 0.513 2158 S N 1.507 117.052 115.700 -0.259 0.000 2.596 2158 S HA 0.679 5.148 4.470 -0.000 0.000 0.318 2158 S C -0.032 174.568 174.600 -0.001 0.000 1.097 2158 S CA -0.041 58.112 58.200 -0.078 0.000 1.080 2158 S CB 0.419 63.564 63.200 -0.091 0.000 0.991 2158 S HN 1.368 nan 8.310 nan 0.000 0.471 2159 S N 3.193 118.936 115.700 0.071 0.000 2.704 2159 S HA 0.552 5.022 4.470 -0.000 0.000 0.296 2159 S C -0.231 174.378 174.600 0.015 0.000 1.138 2159 S CA -0.719 57.521 58.200 0.066 0.000 0.875 2159 S CB 1.192 64.472 63.200 0.132 0.000 1.151 2159 S HN 0.493 nan 8.310 nan 0.000 0.500 2160 D N 1.246 121.658 120.400 0.020 0.000 2.333 2160 D HA 0.134 4.774 4.640 -0.000 0.000 0.208 2160 D C 0.516 176.824 176.300 0.012 0.000 0.984 2160 D CA 0.885 54.889 54.000 0.007 0.000 0.873 2160 D CB 0.010 40.820 40.800 0.017 0.000 0.935 2160 D HN 0.758 nan 8.370 nan 0.000 0.521 2161 T N -1.544 113.021 114.554 0.019 0.000 2.907 2161 T HA 0.435 4.785 4.350 -0.000 0.000 0.284 2161 T C 0.003 174.732 174.700 0.047 0.000 1.004 2161 T CA -0.802 61.324 62.100 0.043 0.000 1.063 2161 T CB 1.829 70.719 68.868 0.038 0.000 0.992 2161 T HN -0.111 nan 8.240 nan 0.000 0.483 2184 M N 0.617 120.120 119.600 -0.162 0.000 1.426 2184 M HA 0.022 4.502 4.480 -0.000 0.000 0.169 2184 M C 0.756 177.113 176.300 0.095 0.000 1.025 2184 M CA 0.714 56.115 55.300 0.168 0.000 0.673 2184 M CB -0.756 31.927 32.600 0.139 0.000 1.653 2184 M HN 0.480 nan 8.290 nan 0.000 0.635 2185 E N 1.298 121.490 120.200 -0.013 0.000 2.153 2185 E HA -0.208 4.141 4.350 -0.000 0.000 0.194 2185 E C 1.463 178.031 176.600 -0.052 0.000 0.988 2185 E CA 1.796 58.190 56.400 -0.010 0.000 0.811 2185 E CB -0.134 29.549 29.700 -0.029 0.000 0.746 2185 E HN 0.664 nan 8.360 nan 0.000 0.466 2186 E N 0.769 120.857 120.200 -0.186 0.000 2.047 2186 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 2186 E C 1.699 178.206 176.600 -0.154 0.000 0.987 2186 E CA 1.037 57.271 56.400 -0.278 0.000 0.799 2186 E CB -0.319 29.050 29.700 -0.551 0.000 0.752 2186 E HN 0.422 nan 8.360 nan 0.000 0.449 2187 W N 1.318 122.635 121.300 0.028 0.000 2.388 2187 W HA -0.111 4.549 4.660 -0.000 0.000 0.294 2187 W C 2.774 179.288 176.519 -0.008 0.000 1.212 2187 W CA 0.718 58.059 57.345 -0.008 0.000 1.271 2187 W CB -0.103 29.334 29.460 -0.039 0.000 1.126 2187 W HN 0.268 nan 8.180 nan 0.000 0.535 2188 Q N 0.833 120.766 119.800 0.221 0.000 2.084 2188 Q HA -0.192 4.147 4.340 -0.000 0.000 0.202 2188 Q C 2.339 178.398 176.000 0.098 0.000 0.978 2188 Q CA 1.951 57.836 55.803 0.137 0.000 0.844 2188 Q CB -0.391 28.411 28.738 0.106 0.000 0.898 2188 Q HN 0.215 nan 8.270 nan 0.000 0.426 2189 A N 0.214 123.076 122.820 0.070 0.000 2.067 2189 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 2189 A C 1.742 179.361 177.584 0.059 0.000 1.158 2189 A CA 1.083 53.146 52.037 0.044 0.000 0.661 2189 A CB -0.280 18.725 19.000 0.009 0.000 0.801 2189 A HN 0.466 nan 8.150 nan 0.000 0.452 2190 M N -1.297 118.364 119.600 0.102 0.000 2.494 2190 M HA 0.201 4.681 4.480 -0.000 0.000 0.232 2190 M C 1.238 177.598 176.300 0.101 0.000 1.137 2190 M CA 0.684 56.055 55.300 0.117 0.000 1.012 2190 M CB 0.386 33.109 32.600 0.206 0.000 1.567 2190 M HN 0.578 nan 8.290 nan 0.000 0.486 2191 G N 0.732 109.586 108.800 0.090 0.000 2.143 2191 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.249 2191 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.249 2191 G C 0.076 175.009 174.900 0.055 0.000 0.981 2191 G CA -0.198 44.944 45.100 0.071 0.000 0.665 2191 G HN 0.317 nan 8.290 nan 0.000 0.528 2192 V N 1.701 121.650 119.914 0.058 0.000 2.599 2192 V HA 0.180 4.300 4.120 -0.000 0.000 0.300 2192 V C 1.877 177.955 176.094 -0.027 0.000 1.034 2192 V CA 1.126 63.411 62.300 -0.024 0.000 1.115 2192 V CB 1.199 32.974 31.823 -0.082 0.000 0.934 2192 V HN 0.407 nan 8.190 nan 0.000 0.485 2193 M N 3.225 122.789 119.600 -0.061 0.000 2.160 2193 M HA 0.077 4.556 4.480 -0.000 0.000 0.264 2193 M C 0.761 177.021 176.300 -0.066 0.000 1.073 2193 M CA 1.208 56.470 55.300 -0.064 0.000 1.142 2193 M CB -0.044 32.523 32.600 -0.055 0.000 1.358 2193 M HN 0.955 nan 8.290 nan 0.000 0.422 2194 N N -1.963 116.684 118.700 -0.089 0.000 3.277 2194 N HA 0.209 4.948 4.740 -0.000 0.000 0.278 2194 N C -1.918 173.526 175.510 -0.109 0.000 1.544 2194 N CA -0.640 52.384 53.050 -0.043 0.000 0.869 2194 N CB 1.494 39.970 38.487 -0.019 0.000 1.584 2194 N HN -0.067 nan 8.380 nan 0.000 0.564 2195 Y N -0.633 119.637 120.300 -0.050 0.000 2.462 2195 Y HA 0.491 5.041 4.550 -0.000 0.000 0.346 2195 Y C -0.293 175.553 175.900 -0.091 0.000 0.976 2195 Y CA -0.100 57.958 58.100 -0.071 0.000 1.044 2195 Y CB 1.744 40.184 38.460 -0.034 0.000 1.230 2195 Y HN 0.876 nan 8.280 nan 0.000 0.455 2196 E N 0.316 120.586 120.200 0.117 0.000 2.343 2196 E HA 0.457 4.807 4.350 -0.000 0.000 0.257 2196 E C -1.182 175.392 176.600 -0.044 0.000 1.079 2196 E CA -0.688 55.698 56.400 -0.023 0.000 0.891 2196 E CB 1.123 30.792 29.700 -0.052 0.000 1.732 2196 E HN 0.430 nan 8.360 nan 0.000 0.465 2197 M N -0.693 118.841 119.600 -0.109 0.000 2.289 2197 M HA 0.349 4.829 4.480 -0.000 0.000 0.335 2197 M C 0.154 176.411 176.300 -0.071 0.000 0.961 2197 M CA 0.156 55.399 55.300 -0.095 0.000 1.018 2197 M CB 0.719 33.225 32.600 -0.157 0.000 1.678 2197 M HN 0.460 nan 8.290 nan 0.000 0.589 2198 E N 0.047 120.205 120.200 -0.069 0.000 2.399 2198 E HA 0.057 4.407 4.350 -0.000 0.000 0.205 2198 E C 1.951 178.516 176.600 -0.058 0.000 0.906 2198 E CA 0.806 57.172 56.400 -0.057 0.000 0.998 2198 E CB 0.242 29.912 29.700 -0.049 0.000 1.002 2198 E HN 0.353 nan 8.360 nan 0.000 0.501 2199 S N 1.082 116.747 115.700 -0.059 0.000 2.370 2199 S HA -0.181 4.288 4.470 -0.000 0.000 0.226 2199 S C 2.251 176.814 174.600 -0.061 0.000 1.033 2199 S CA 1.079 59.243 58.200 -0.060 0.000 1.011 2199 S CB -0.432 62.732 63.200 -0.060 0.000 0.852 2199 S HN 0.242 nan 8.310 nan 0.000 0.457 2200 A N 1.835 124.619 122.820 -0.059 0.000 1.883 2200 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 2200 A C 2.479 180.040 177.584 -0.037 0.000 1.186 2200 A CA 2.293 54.303 52.037 -0.044 0.000 0.624 2200 A CB -1.763 17.213 19.000 -0.040 0.000 0.822 2200 A HN 0.590 nan 8.150 nan 0.000 0.444 2201 T N -0.032 114.493 114.554 -0.047 0.000 2.701 2201 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 2201 T C 1.872 176.467 174.700 -0.175 0.000 1.040 2201 T CA 1.479 63.537 62.100 -0.069 0.000 1.147 2201 T CB -0.450 68.389 68.868 -0.048 0.000 0.865 2201 T HN 0.340 nan 8.240 nan 0.000 0.426 2202 L N 1.221 122.350 121.223 -0.156 0.000 1.970 2202 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 2202 L C 2.229 178.989 176.870 -0.183 0.000 1.071 2202 L CA 1.748 56.468 54.840 -0.200 0.000 0.751 2202 L CB -0.840 41.142 42.059 -0.129 0.000 0.889 2202 L HN 0.250 nan 8.230 nan 0.000 0.432 2203 L N -1.237 119.926 121.223 -0.100 0.000 2.046 2203 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 2203 L C 2.369 179.221 176.870 -0.030 0.000 1.077 2203 L CA 1.848 56.659 54.840 -0.049 0.000 0.747 2203 L CB -1.255 40.795 42.059 -0.015 0.000 0.896 2203 L HN 0.341 nan 8.230 nan 0.000 0.432 2204 T N 0.559 115.093 114.554 -0.035 0.000 2.737 2204 T HA -0.214 4.135 4.350 -0.000 0.000 0.265 2204 T C 1.843 176.444 174.700 -0.164 0.000 1.038 2204 T CA 1.883 63.986 62.100 0.006 0.000 1.144 2204 T CB -0.272 68.625 68.868 0.048 0.000 0.866 2204 T HN 0.454 nan 8.240 nan 0.000 0.434 2205 M N 0.133 119.486 119.600 -0.411 0.000 2.296 2205 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 2205 M C 2.105 178.139 176.300 -0.444 0.000 1.064 2205 M CA 1.418 56.242 55.300 -0.794 0.000 1.109 2205 M CB -0.961 30.668 32.600 -1.618 0.000 1.396 2205 M HN 0.180 nan 8.290 nan 0.000 0.430 2206 C N 1.110 120.239 119.300 -0.285 0.000 2.522 2206 C HA 0.272 4.732 4.460 -0.000 0.000 0.280 2206 C C 3.215 178.186 174.990 -0.030 0.000 1.303 2206 C CA 0.800 59.729 59.018 -0.148 0.000 1.709 2206 C CB -0.901 26.777 27.740 -0.102 0.000 2.071 2206 C HN 0.750 nan 8.230 nan 0.000 0.492 2207 A N 0.979 123.817 122.820 0.030 0.000 2.070 2207 A HA -0.099 4.220 4.320 -0.000 0.000 0.220 2207 A C 2.057 179.751 177.584 0.184 0.000 1.159 2207 A CA 1.983 54.114 52.037 0.157 0.000 0.656 2207 A CB -0.500 18.664 19.000 0.273 0.000 0.800 2207 A HN 0.708 nan 8.150 nan 0.000 0.453 2208 S N -2.026 113.651 115.700 -0.038 0.000 2.557 2208 S HA 0.214 4.684 4.470 -0.000 0.000 0.223 2208 S C 0.782 175.329 174.600 -0.087 0.000 0.969 2208 S CA 0.005 58.075 58.200 -0.217 0.000 0.927 2208 S CB 0.111 62.935 63.200 -0.627 0.000 0.806 2208 S HN 0.613 nan 8.310 nan 0.000 0.489 2209 Q N 0.406 120.186 119.800 -0.034 0.000 2.057 2209 Q HA 0.340 4.679 4.340 -0.000 0.000 0.216 2209 Q C 0.579 176.594 176.000 0.025 0.000 0.788 2209 Q CA 0.033 55.834 55.803 -0.004 0.000 1.053 2209 Q CB 1.112 29.840 28.738 -0.017 0.000 1.210 2209 Q HN 0.626 nan 8.270 nan 0.000 0.455 2210 G N 1.586 110.411 108.800 0.041 0.000 2.176 2210 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.252 2210 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.252 2210 G C -0.185 174.756 174.900 0.067 0.000 1.024 2210 G CA 0.186 45.320 45.100 0.056 0.000 0.755 2210 G HN 0.255 nan 8.290 nan 0.000 0.507 2211 L N -0.557 120.710 121.223 0.074 0.000 2.346 2211 L HA 0.650 4.989 4.340 -0.000 0.000 0.274 2211 L C 0.845 177.788 176.870 0.121 0.000 1.007 2211 L CA -1.176 53.738 54.840 0.123 0.000 0.818 2211 L CB 1.584 43.736 42.059 0.156 0.000 1.284 2211 L HN 0.066 nan 8.230 nan 0.000 0.424 2212 R N 1.780 122.363 120.500 0.138 0.000 2.349 2212 R HA 0.783 5.123 4.340 -0.000 0.000 0.299 2212 R C -0.679 175.710 176.300 0.149 0.000 1.027 2212 R CA -0.496 55.671 56.100 0.111 0.000 0.958 2212 R CB 1.625 31.968 30.300 0.072 0.000 1.047 2212 R HN 0.708 nan 8.270 nan 0.000 0.468 2213 A N 1.263 124.146 122.820 0.105 0.000 2.515 2213 A HA 0.796 5.115 4.320 -0.000 0.000 0.298 2213 A C -0.801 176.816 177.584 0.056 0.000 1.059 2213 A CA -0.649 51.450 52.037 0.103 0.000 0.698 2213 A CB 2.237 21.274 19.000 0.061 0.000 1.289 2213 A HN 0.761 nan 8.150 nan 0.000 0.404 2214 G N -0.294 108.535 108.800 0.048 0.000 2.619 2214 G HA2 0.691 4.651 3.960 -0.000 0.000 0.296 2214 G HA3 0.691 4.651 3.960 -0.000 0.000 0.296 2214 G C -1.231 173.677 174.900 0.014 0.000 1.334 2214 G CA -0.544 44.567 45.100 0.018 0.000 0.934 2214 G HN 1.168 nan 8.290 nan 0.000 0.476 2215 M N 1.771 121.371 119.600 -0.001 0.000 2.271 2215 M HA 0.699 5.179 4.480 -0.000 0.000 0.285 2215 M C -1.800 174.495 176.300 -0.008 0.000 1.059 2215 M CA -0.771 54.526 55.300 -0.005 0.000 0.940 2215 M CB 2.020 34.611 32.600 -0.014 0.000 1.636 2215 M HN 0.747 nan 8.290 nan 0.000 0.460 2216 V N 4.050 123.960 119.914 -0.006 0.000 2.925 2216 V HA 1.055 5.174 4.120 -0.000 0.000 0.311 2216 V C -1.723 174.370 176.094 -0.002 0.000 1.104 2216 V CA 0.125 62.422 62.300 -0.005 0.000 0.954 2216 V CB 2.024 33.843 31.823 -0.006 0.000 1.022 2216 V HN 1.233 nan 8.190 nan 0.000 0.427 2217 A N 3.559 126.381 122.820 0.003 0.000 2.547 2217 A HA 0.883 5.203 4.320 -0.000 0.000 0.297 2217 A C -0.283 177.310 177.584 0.015 0.000 1.056 2217 A CA -0.107 51.933 52.037 0.005 0.000 0.688 2217 A CB 1.750 20.750 19.000 -0.001 0.000 1.282 2217 A HN 1.647 nan 8.150 nan 0.000 0.400 2218 G N 0.092 108.901 108.800 0.015 0.000 2.377 2218 G HA2 0.529 4.489 3.960 -0.000 0.000 0.299 2218 G HA3 0.529 4.489 3.960 -0.000 0.000 0.299 2218 G C -0.548 174.365 174.900 0.021 0.000 1.150 2218 G CA -0.365 44.748 45.100 0.022 0.000 0.847 2218 G HN 0.943 nan 8.290 nan 0.000 0.501 2219 V N 3.491 123.422 119.914 0.028 0.000 2.408 2219 V HA 0.148 4.267 4.120 -0.000 0.000 0.267 2219 V C 1.250 177.356 176.094 0.019 0.000 1.047 2219 V CA -0.124 62.190 62.300 0.024 0.000 0.937 2219 V CB 0.828 32.668 31.823 0.027 0.000 0.999 2219 V HN 0.764 nan 8.190 nan 0.000 0.472 2220 I N 3.270 123.851 120.570 0.018 0.000 4.057 2220 I HA 0.551 4.721 4.170 -0.000 0.000 0.334 2220 I C 0.214 176.341 176.117 0.017 0.000 1.308 2220 I CA 0.220 61.529 61.300 0.015 0.000 1.125 2220 I CB 1.037 39.046 38.000 0.014 0.000 1.034 2220 I HN 0.432 nan 8.210 nan 0.000 0.401 2221 V N 0.712 120.637 119.914 0.019 0.000 3.236 2221 V HA 0.555 4.675 4.120 -0.000 0.000 0.287 2221 V C -2.038 174.067 176.094 0.017 0.000 1.491 2221 V CA -0.435 61.877 62.300 0.020 0.000 1.037 2221 V CB 2.311 34.149 31.823 0.026 0.000 1.160 2221 V HN 0.465 nan 8.190 nan 0.000 0.453 2236 Q N 1.747 121.460 119.800 -0.145 0.000 2.049 2236 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 2236 Q C 1.793 177.575 176.000 -0.364 0.000 0.971 2236 Q CA 2.575 58.208 55.803 -0.283 0.000 0.833 2236 Q CB -0.170 28.445 28.738 -0.204 0.000 0.896 2236 Q HN 0.408 nan 8.270 nan 0.000 0.434 2237 T N -1.647 112.813 114.554 -0.155 0.000 2.803 2237 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 2237 T C 1.662 176.327 174.700 -0.059 0.000 1.052 2237 T CA 1.478 63.542 62.100 -0.061 0.000 1.136 2237 T CB -0.340 68.523 68.868 -0.009 0.000 0.864 2237 T HN 0.576 nan 8.240 nan 0.000 0.467 2238 E N 0.803 120.954 120.200 -0.081 0.000 2.072 2238 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 2238 E C 2.366 178.922 176.600 -0.074 0.000 0.982 2238 E CA 1.145 57.510 56.400 -0.058 0.000 0.803 2238 E CB -0.295 29.373 29.700 -0.053 0.000 0.755 2238 E HN 0.548 nan 8.360 nan 0.000 0.453 2239 S N 0.071 115.685 115.700 -0.143 0.000 2.368 2239 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 2239 S C 1.708 176.282 174.600 -0.044 0.000 1.030 2239 S CA 1.191 59.310 58.200 -0.134 0.000 0.999 2239 S CB -0.384 62.688 63.200 -0.213 0.000 0.844 2239 S HN 0.430 nan 8.310 nan 0.000 0.459 2240 H N 1.208 120.266 119.070 -0.020 0.000 2.395 2240 H HA 0.242 4.798 4.556 -0.000 0.000 0.299 2240 H C 2.403 177.718 175.328 -0.022 0.000 1.070 2240 H CA 0.947 56.983 56.048 -0.020 0.000 1.356 2240 H CB -0.878 28.873 29.762 -0.017 0.000 1.401 2240 H HN 0.417 nan 8.280 nan 0.000 0.524 2241 A N 0.632 123.505 122.820 0.088 0.000 1.930 2241 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 2241 A C 2.751 180.346 177.584 0.019 0.000 1.175 2241 A CA 1.441 53.502 52.037 0.040 0.000 0.627 2241 A CB -0.784 18.227 19.000 0.019 0.000 0.815 2241 A HN 0.221 nan 8.150 nan 0.000 0.443 2242 V N 0.247 120.166 119.914 0.008 0.000 2.343 2242 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 2242 V C 2.595 178.688 176.094 -0.002 0.000 1.051 2242 V CA 2.420 64.715 62.300 -0.010 0.000 1.036 2242 V CB -0.544 31.262 31.823 -0.030 0.000 0.654 2242 V HN 0.636 nan 8.190 nan 0.000 0.451 2243 K N 0.708 121.122 120.400 0.022 0.000 2.057 2243 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 2243 K C 1.803 178.406 176.600 0.006 0.000 1.050 2243 K CA 1.649 57.949 56.287 0.020 0.000 0.935 2243 K CB -0.567 31.965 32.500 0.054 0.000 0.715 2243 K HN 0.440 nan 8.250 nan 0.000 0.439 2244 I N -0.151 120.426 120.570 0.011 0.000 2.226 2244 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 2244 I C 2.202 178.311 176.117 -0.013 0.000 1.100 2244 I CA 1.061 62.358 61.300 -0.006 0.000 1.374 2244 I CB -0.288 37.710 38.000 -0.002 0.000 1.057 2244 I HN 0.031 nan 8.210 nan 0.000 0.413 2245 V N 0.354 120.263 119.914 -0.010 0.000 2.515 2245 V HA -0.183 3.936 4.120 -0.000 0.000 0.250 2245 V C 2.318 178.401 176.094 -0.019 0.000 1.058 2245 V CA 1.540 63.831 62.300 -0.014 0.000 1.064 2245 V CB 0.182 31.999 31.823 -0.010 0.000 0.675 2245 V HN 0.211 nan 8.190 nan 0.000 0.461 2246 V N -0.124 119.779 119.914 -0.019 0.000 2.379 2246 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 2246 V C 2.599 178.680 176.094 -0.022 0.000 1.044 2246 V CA 1.908 64.195 62.300 -0.022 0.000 1.036 2246 V CB -0.634 31.176 31.823 -0.022 0.000 0.664 2246 V HN 0.527 nan 8.190 nan 0.000 0.453 2247 E N 0.341 120.528 120.200 -0.021 0.000 2.204 2247 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 2247 E C 2.260 178.843 176.600 -0.029 0.000 0.989 2247 E CA 1.287 57.673 56.400 -0.024 0.000 0.824 2247 E CB -0.399 29.286 29.700 -0.025 0.000 0.756 2247 E HN 0.576 nan 8.360 nan 0.000 0.477 2248 A N 1.279 124.080 122.820 -0.031 0.000 1.897 2248 A HA 0.033 4.352 4.320 -0.000 0.000 0.215 2248 A C 2.408 179.970 177.584 -0.036 0.000 1.181 2248 A CA 1.580 53.594 52.037 -0.037 0.000 0.620 2248 A CB -0.471 18.507 19.000 -0.037 0.000 0.821 2248 A HN 0.248 nan 8.150 nan 0.000 0.443 2249 A N -0.098 122.702 122.820 -0.032 0.000 1.908 2249 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 2249 A C 2.252 179.817 177.584 -0.033 0.000 1.181 2249 A CA 1.810 53.827 52.037 -0.034 0.000 0.627 2249 A CB -0.562 18.419 19.000 -0.032 0.000 0.818 2249 A HN 0.530 nan 8.150 nan 0.000 0.445 2250 R N -0.417 120.066 120.500 -0.029 0.000 2.091 2250 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 2250 R C 2.248 178.532 176.300 -0.027 0.000 1.136 2250 R CA 1.740 57.825 56.100 -0.025 0.000 0.959 2250 R CB -0.211 30.076 30.300 -0.022 0.000 0.856 2250 R HN 0.542 nan 8.270 nan 0.000 0.437 2251 R N -0.223 120.259 120.500 -0.031 0.000 2.235 2251 R HA -0.015 4.325 4.340 -0.000 0.000 0.213 2251 R C 1.552 177.833 176.300 -0.033 0.000 1.059 2251 R CA 0.697 56.777 56.100 -0.033 0.000 0.997 2251 R CB 0.098 30.374 30.300 -0.041 0.000 0.884 2251 R HN 0.264 nan 8.270 nan 0.000 0.462 2252 L N 0.424 121.627 121.223 -0.035 0.000 2.693 2252 L HA 0.211 4.551 4.340 -0.000 0.000 0.235 2252 L C 0.451 177.301 176.870 -0.032 0.000 1.127 2252 L CA -0.278 54.541 54.840 -0.034 0.000 0.914 2252 L CB 0.177 42.212 42.059 -0.039 0.000 1.193 2252 L HN 0.039 nan 8.230 nan 0.000 0.502 2253 L N 0.000 121.205 121.223 -0.030 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.822 54.840 -0.029 0.000 0.813 2253 L CB 0.000 42.043 42.059 -0.026 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502