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 1zji_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCGQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX XXXXXGGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DASTQLPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.686 176.600 0.143 0.000 0.988 2003 K CA 0.000 56.365 56.287 0.129 0.000 0.838 2003 K CB 0.000 32.577 32.500 0.129 0.000 1.064 2004 F N 1.759 121.725 119.950 0.027 0.000 2.578 2004 F HA 0.235 4.763 4.527 0.001 0.000 0.381 2004 F C -0.151 175.614 175.800 -0.060 0.000 1.069 2004 F CA -0.349 57.650 58.000 -0.001 0.000 1.231 2004 F CB 0.496 39.488 39.000 -0.013 0.000 1.086 2004 F HN 0.404 nan 8.300 nan 0.000 0.564 2005 L N 6.334 127.178 121.223 -0.633 0.000 2.350 2005 L HA 0.526 4.866 4.340 0.001 0.000 0.275 2005 L C -0.975 175.548 176.870 -0.578 0.000 1.099 2005 L CA -0.245 54.301 54.840 -0.490 0.000 0.808 2005 L CB 1.470 43.284 42.059 -0.408 0.000 1.149 2005 L HN 0.407 nan 8.230 nan 0.000 0.442 2006 V N 6.209 125.860 119.914 -0.440 0.000 2.498 2006 V HA 0.376 4.497 4.120 0.001 0.000 0.283 2006 V C -0.276 175.619 176.094 -0.332 0.000 1.015 2006 V CA -0.459 61.588 62.300 -0.422 0.000 0.867 2006 V CB 1.408 32.824 31.823 -0.679 0.000 1.025 2006 V HN 0.517 nan 8.190 nan 0.000 0.441 2007 I N 4.351 124.753 120.570 -0.280 0.000 2.315 2007 I HA 0.816 4.987 4.170 0.001 0.000 0.291 2007 I C 0.423 176.287 176.117 -0.421 0.000 1.006 2007 I CA -0.059 61.054 61.300 -0.313 0.000 1.265 2007 I CB 1.525 39.334 38.000 -0.317 0.000 1.387 2007 I HN 0.683 nan 8.210 nan 0.000 0.475 2008 A N 4.523 127.131 122.820 -0.353 0.000 2.594 2008 A HA 1.013 5.333 4.320 0.001 0.000 0.291 2008 A C -0.380 176.925 177.584 -0.464 0.000 1.105 2008 A CA -0.209 51.612 52.037 -0.361 0.000 0.694 2008 A CB 1.993 20.914 19.000 -0.131 0.000 1.291 2008 A HN 0.953 nan 8.150 nan 0.000 0.410 2009 G N -0.503 108.031 108.800 -0.444 0.000 2.356 2009 G HA2 0.477 4.438 3.960 0.001 0.000 0.300 2009 G HA3 0.477 4.438 3.960 0.001 0.000 0.300 2009 G C -3.579 171.121 174.900 -0.332 0.000 1.331 2009 G CA -0.136 44.613 45.100 -0.584 0.000 0.905 2009 G HN 0.760 nan 8.290 nan 0.000 0.587 2010 P HA 0.282 nan 4.420 nan 0.000 0.278 2010 P C 1.284 178.582 177.300 -0.004 0.000 1.238 2010 P CA 0.010 63.084 63.100 -0.044 0.000 0.794 2010 P CB 1.802 33.502 31.700 0.001 0.000 0.955 2011 C N 3.109 122.460 119.300 0.085 0.000 2.386 2011 C HA 0.018 4.478 4.460 0.001 0.000 0.279 2011 C C 1.333 176.411 174.990 0.147 0.000 1.208 2011 C CA 1.730 60.821 59.018 0.122 0.000 1.747 2011 C CB -1.394 26.431 27.740 0.142 0.000 2.046 2011 C HN 0.697 nan 8.230 nan 0.000 0.453 2012 A N -0.513 122.434 122.820 0.212 0.000 2.330 2012 A HA 0.710 5.030 4.320 0.001 0.000 0.329 2012 A C -0.436 177.342 177.584 0.323 0.000 1.135 2012 A CA -0.606 51.601 52.037 0.283 0.000 0.817 2012 A CB 0.401 19.663 19.000 0.437 0.000 1.269 2012 A HN 0.494 nan 8.150 nan 0.000 0.469 2013 I N 1.987 122.780 120.570 0.372 0.000 2.278 2013 I HA 0.058 4.228 4.170 0.001 0.000 0.300 2013 I C 0.804 177.234 176.117 0.522 0.000 1.174 2013 I CA 0.282 61.822 61.300 0.400 0.000 1.347 2013 I CB 0.108 38.361 38.000 0.421 0.000 1.473 2013 I HN 0.869 nan 8.210 nan 0.000 0.595 2014 E N 3.012 123.444 120.200 0.386 0.000 2.208 2014 E HA -0.064 4.287 4.350 0.001 0.000 0.193 2014 E C 0.311 177.065 176.600 0.256 0.000 0.988 2014 E CA 0.568 57.149 56.400 0.302 0.000 0.828 2014 E CB 0.243 30.008 29.700 0.109 0.000 0.763 2014 E HN 0.728 nan 8.360 nan 0.000 0.478 2015 S N -1.610 114.221 115.700 0.218 0.000 2.614 2015 S HA 0.064 4.535 4.470 0.001 0.000 0.280 2015 S C 0.167 174.875 174.600 0.181 0.000 1.111 2015 S CA -0.847 57.455 58.200 0.169 0.000 0.847 2015 S CB 1.260 64.510 63.200 0.084 0.000 1.079 2015 S HN 0.091 nan 8.310 nan 0.000 0.452 2016 E N 0.918 121.212 120.200 0.155 0.000 2.160 2016 E HA -0.233 4.117 4.350 0.001 0.000 0.195 2016 E C 1.572 178.199 176.600 0.044 0.000 0.991 2016 E CA 1.650 58.065 56.400 0.026 0.000 0.810 2016 E CB -0.130 29.516 29.700 -0.091 0.000 0.742 2016 E HN 0.748 nan 8.360 nan 0.000 0.466 2017 E N 0.219 120.454 120.200 0.057 0.000 2.038 2017 E HA -0.246 4.104 4.350 0.001 0.000 0.195 2017 E C 2.229 178.856 176.600 0.046 0.000 1.000 2017 E CA 1.365 57.792 56.400 0.044 0.000 0.803 2017 E CB -0.201 29.524 29.700 0.042 0.000 0.750 2017 E HN 0.300 nan 8.360 nan 0.000 0.448 2018 L N 1.076 122.330 121.223 0.052 0.000 2.042 2018 L HA -0.165 4.176 4.340 0.001 0.000 0.210 2018 L C 2.236 179.145 176.870 0.066 0.000 1.076 2018 L CA 1.608 56.463 54.840 0.025 0.000 0.749 2018 L CB -0.441 41.627 42.059 0.013 0.000 0.893 2018 L HN 0.270 nan 8.230 nan 0.000 0.432 2019 L N -1.221 120.078 121.223 0.127 0.000 2.265 2019 L HA -0.213 4.127 4.340 0.001 0.000 0.215 2019 L C 2.380 179.282 176.870 0.055 0.000 1.117 2019 L CA 1.000 55.963 54.840 0.205 0.000 0.782 2019 L CB -0.423 41.754 42.059 0.197 0.000 0.914 2019 L HN 0.384 nan 8.230 nan 0.000 0.441 2020 L N -0.651 120.609 121.223 0.062 0.000 2.162 2020 L HA -0.128 4.212 4.340 0.001 0.000 0.205 2020 L C 2.604 179.526 176.870 0.087 0.000 1.086 2020 L CA 0.755 55.678 54.840 0.139 0.000 0.778 2020 L CB -0.330 41.811 42.059 0.138 0.000 0.928 2020 L HN 0.183 nan 8.230 nan 0.000 0.446 2021 K N 0.332 120.756 120.400 0.039 0.000 2.057 2021 K HA -0.128 4.193 4.320 0.001 0.000 0.206 2021 K C 1.931 178.500 176.600 -0.053 0.000 1.050 2021 K CA 1.266 57.553 56.287 -0.001 0.000 0.935 2021 K CB 0.126 32.622 32.500 -0.007 0.000 0.715 2021 K HN 0.067 nan 8.250 nan 0.000 0.439 2022 V N 0.550 120.453 119.914 -0.019 0.000 2.548 2022 V HA -0.098 4.022 4.120 0.001 0.000 0.249 2022 V C 2.354 178.440 176.094 -0.014 0.000 1.055 2022 V CA 1.903 64.210 62.300 0.013 0.000 1.065 2022 V CB -0.494 31.385 31.823 0.094 0.000 0.681 2022 V HN 0.582 nan 8.190 nan 0.000 0.462 2023 G N -0.700 108.014 108.800 -0.143 0.000 2.408 2023 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 2023 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 2023 G C 1.497 175.723 174.900 -1.123 0.000 1.150 2023 G CA 0.847 45.594 45.100 -0.589 0.000 0.776 2023 G HN 0.537 nan 8.290 nan 0.000 0.542 2024 E N 0.254 119.843 120.200 -1.019 0.000 2.038 2024 E HA -0.205 4.145 4.350 0.001 0.000 0.195 2024 E C 2.334 178.687 176.600 -0.412 0.000 1.000 2024 E CA 1.475 57.413 56.400 -0.770 0.000 0.803 2024 E CB -0.111 29.483 29.700 -0.177 0.000 0.750 2024 E HN 0.388 nan 8.360 nan 0.000 0.448 2025 E N 0.811 120.857 120.200 -0.256 0.000 2.118 2025 E HA -0.164 4.186 4.350 0.001 0.000 0.195 2025 E C 1.964 178.450 176.600 -0.190 0.000 0.992 2025 E CA 1.262 57.566 56.400 -0.160 0.000 0.804 2025 E CB -0.312 29.333 29.700 -0.091 0.000 0.741 2025 E HN 0.394 nan 8.360 nan 0.000 0.458 2026 I N 0.069 120.512 120.570 -0.211 0.000 2.315 2026 I HA -0.223 3.947 4.170 0.001 0.000 0.248 2026 I C 2.256 178.158 176.117 -0.358 0.000 1.117 2026 I CA 1.075 62.248 61.300 -0.211 0.000 1.404 2026 I CB -0.262 37.726 38.000 -0.019 0.000 1.071 2026 I HN 0.087 nan 8.210 nan 0.000 0.419 2027 K N 1.559 121.739 120.400 -0.367 0.000 2.057 2027 K HA -0.210 4.110 4.320 0.001 0.000 0.207 2027 K C 2.186 178.647 176.600 -0.231 0.000 1.049 2027 K CA 1.584 57.704 56.287 -0.277 0.000 0.931 2027 K CB -0.341 32.010 32.500 -0.249 0.000 0.714 2027 K HN 0.082 nan 8.250 nan 0.000 0.440 2028 R N -0.347 120.025 120.500 -0.214 0.000 2.073 2028 R HA -0.085 4.256 4.340 0.001 0.000 0.234 2028 R C 1.853 178.028 176.300 -0.208 0.000 1.134 2028 R CA 1.381 57.383 56.100 -0.164 0.000 0.952 2028 R CB -0.242 29.985 30.300 -0.122 0.000 0.850 2028 R HN 0.149 nan 8.270 nan 0.000 0.433 2029 L N 0.571 121.633 121.223 -0.268 0.000 2.131 2029 L HA -0.104 4.237 4.340 0.001 0.000 0.210 2029 L C 2.462 179.062 176.870 -0.449 0.000 1.092 2029 L CA 1.599 56.294 54.840 -0.241 0.000 0.759 2029 L CB -1.381 40.549 42.059 -0.215 0.000 0.903 2029 L HN 0.246 nan 8.230 nan 0.000 0.435 2030 S N -0.659 114.609 115.700 -0.719 0.000 2.370 2030 S HA -0.171 4.299 4.470 0.001 0.000 0.226 2030 S C 1.806 176.334 174.600 -0.120 0.000 1.033 2030 S CA 1.149 59.057 58.200 -0.486 0.000 1.011 2030 S CB 0.054 63.069 63.200 -0.308 0.000 0.852 2030 S HN 0.412 nan 8.310 nan 0.000 0.457 2031 E N 0.752 120.868 120.200 -0.139 0.000 2.216 2031 E HA -0.024 4.327 4.350 0.001 0.000 0.192 2031 E C 1.955 178.485 176.600 -0.118 0.000 0.988 2031 E CA 0.637 56.986 56.400 -0.085 0.000 0.834 2031 E CB -0.182 29.469 29.700 -0.082 0.000 0.772 2031 E HN 0.597 nan 8.360 nan 0.000 0.479 2032 K N -0.325 119.946 120.400 -0.216 0.000 2.186 2032 K HA 0.008 4.329 4.320 0.001 0.000 0.202 2032 K C 0.011 176.293 176.600 -0.531 0.000 1.052 2032 K CA 0.408 56.439 56.287 -0.426 0.000 0.965 2032 K CB 0.242 32.354 32.500 -0.647 0.000 0.746 2032 K HN -0.077 nan 8.250 nan 0.000 0.457 2033 F N 1.641 121.647 119.950 0.093 0.000 2.371 2033 F HA 0.302 4.830 4.527 0.001 0.000 0.343 2033 F C 0.579 176.496 175.800 0.196 0.000 1.150 2033 F CA -0.927 57.180 58.000 0.178 0.000 1.220 2033 F CB 1.332 40.522 39.000 0.317 0.000 1.475 2033 F HN -0.242 nan 8.300 nan 0.000 0.521 2034 K N 1.144 121.675 120.400 0.220 0.000 2.209 2034 K HA -0.183 4.137 4.320 0.001 0.000 0.204 2034 K C 1.490 178.208 176.600 0.196 0.000 1.048 2034 K CA 1.137 57.529 56.287 0.176 0.000 0.940 2034 K CB -0.113 32.447 32.500 0.099 0.000 0.729 2034 K HN 0.695 nan 8.250 nan 0.000 0.451 2035 E N 0.431 120.760 120.200 0.216 0.000 2.511 2035 E HA 0.027 4.378 4.350 0.001 0.000 0.196 2035 E C -0.052 176.667 176.600 0.199 0.000 1.066 2035 E CA 0.074 56.582 56.400 0.180 0.000 0.871 2035 E CB 0.206 29.998 29.700 0.153 0.000 0.863 2035 E HN -0.177 nan 8.360 nan 0.000 0.520 2036 V N 1.508 121.576 119.914 0.258 0.000 2.555 2036 V HA 0.165 4.285 4.120 0.001 0.000 0.302 2036 V C -0.428 175.781 176.094 0.191 0.000 1.038 2036 V CA -0.859 61.552 62.300 0.185 0.000 0.887 2036 V CB 1.757 33.629 31.823 0.082 0.000 0.991 2036 V HN 0.175 nan 8.190 nan 0.000 0.434 2037 E N 3.685 123.922 120.200 0.061 0.000 2.014 2037 E HA 0.360 4.711 4.350 0.001 0.000 0.275 2037 E C -1.315 175.282 176.600 -0.005 0.000 0.997 2037 E CA -0.462 55.991 56.400 0.089 0.000 0.804 2037 E CB 0.471 30.201 29.700 0.050 0.000 1.090 2037 E HN 0.491 nan 8.360 nan 0.000 0.401 2038 F N 2.827 122.805 119.950 0.048 0.000 2.399 2038 F HA 0.240 4.768 4.527 0.001 0.000 0.342 2038 F C 0.196 176.006 175.800 0.016 0.000 1.106 2038 F CA -0.399 57.616 58.000 0.026 0.000 1.196 2038 F CB 1.213 40.243 39.000 0.050 0.000 1.163 2038 F HN 0.112 nan 8.300 nan 0.000 0.547 2039 V N 4.416 124.403 119.914 0.122 0.000 2.577 2039 V HA 0.249 4.369 4.120 0.001 0.000 0.303 2039 V C -0.780 175.362 176.094 0.081 0.000 1.042 2039 V CA -1.060 61.288 62.300 0.079 0.000 0.872 2039 V CB 1.717 33.519 31.823 -0.035 0.000 0.998 2039 V HN 0.518 nan 8.190 nan 0.000 0.423 2040 F N 5.649 125.600 119.950 0.002 0.000 2.438 2040 F HA 0.561 5.089 4.527 0.001 0.000 0.356 2040 F C 0.219 175.995 175.800 -0.041 0.000 1.099 2040 F CA 0.188 58.176 58.000 -0.020 0.000 1.185 2040 F CB 0.579 39.581 39.000 0.003 0.000 1.115 2040 F HN 0.397 nan 8.300 nan 0.000 0.526 2041 K N 4.556 124.563 120.400 -0.655 0.000 2.371 2041 K HA 0.636 4.957 4.320 0.001 0.000 0.251 2041 K C -1.677 174.631 176.600 -0.486 0.000 0.934 2041 K CA -0.455 55.583 56.287 -0.415 0.000 0.798 2041 K CB 1.894 34.152 32.500 -0.404 0.000 1.204 2041 K HN 0.691 nan 8.250 nan 0.000 0.427 2042 S N 1.083 116.688 115.700 -0.159 0.000 2.578 2042 S HA 0.326 4.797 4.470 0.001 0.000 0.285 2042 S C -1.781 172.856 174.600 0.061 0.000 1.126 2042 S CA -0.537 57.640 58.200 -0.038 0.000 0.878 2042 S CB 1.061 64.291 63.200 0.049 0.000 1.091 2042 S HN 0.510 nan 8.310 nan 0.000 0.450 2043 S N 3.137 118.874 115.700 0.063 0.000 2.480 2043 S HA 0.397 4.868 4.470 0.001 0.000 0.286 2043 S C 0.706 175.345 174.600 0.066 0.000 1.180 2043 S CA -0.606 57.580 58.200 -0.022 0.000 1.075 2043 S CB 0.374 63.548 63.200 -0.043 0.000 0.996 2043 S HN 0.677 nan 8.310 nan 0.000 0.487 2044 F N 0.502 120.540 119.950 0.146 0.000 2.780 2044 F HA 0.457 4.984 4.527 0.001 0.000 0.299 2044 F C 0.361 176.242 175.800 0.135 0.000 1.146 2044 F CA -0.455 57.646 58.000 0.169 0.000 1.428 2044 F CB -0.124 38.966 39.000 0.149 0.000 1.115 2044 F HN 0.465 nan 8.300 nan 0.000 0.583 2045 D N 0.227 120.562 120.400 -0.109 0.000 2.795 2045 D HA 0.190 4.831 4.640 0.001 0.000 0.206 2045 D C -1.525 174.695 176.300 -0.134 0.000 1.278 2045 D CA -0.570 53.395 54.000 -0.059 0.000 0.839 2045 D CB 1.115 41.986 40.800 0.118 0.000 1.700 2045 D HN -0.177 nan 8.370 nan 0.000 0.549 2046 K N 3.186 123.486 120.400 -0.166 0.000 2.206 2046 K HA 0.505 4.826 4.320 0.001 0.000 0.268 2046 K C 0.740 177.208 176.600 -0.220 0.000 1.111 2046 K CA -0.232 55.967 56.287 -0.146 0.000 0.955 2046 K CB 0.792 33.244 32.500 -0.080 0.000 1.406 2046 K HN 0.488 nan 8.250 nan 0.000 0.427 2047 A N 3.025 125.596 122.820 -0.415 0.000 2.067 2047 A HA -0.138 4.183 4.320 0.001 0.000 0.219 2047 A C 0.818 178.278 177.584 -0.207 0.000 1.158 2047 A CA 1.058 52.825 52.037 -0.450 0.000 0.661 2047 A CB -0.249 18.157 19.000 -0.991 0.000 0.801 2047 A HN 0.743 nan 8.150 nan 0.000 0.452 2048 N N -0.385 118.250 118.700 -0.108 0.000 2.644 2048 N HA 0.130 4.870 4.740 0.001 0.000 0.313 2048 N C -0.874 174.650 175.510 0.023 0.000 1.863 2048 N CA -0.548 52.495 53.050 -0.010 0.000 0.918 2048 N CB 0.587 39.138 38.487 0.107 0.000 1.320 2048 N HN 0.006 nan 8.380 nan 0.000 0.490 2049 R N 0.570 121.064 120.500 -0.011 0.000 2.643 2049 R HA 0.165 4.506 4.340 0.001 0.000 0.270 2049 R C 1.170 177.475 176.300 0.009 0.000 1.061 2049 R CA -0.094 56.015 56.100 0.014 0.000 1.107 2049 R CB 0.640 30.942 30.300 0.004 0.000 0.999 2049 R HN 0.214 nan 8.270 nan 0.000 0.460 2050 S N 0.753 116.469 115.700 0.027 0.000 2.359 2050 S HA -0.125 4.345 4.470 0.001 0.000 0.224 2050 S C 1.049 175.642 174.600 -0.012 0.000 1.035 2050 S CA 1.314 59.521 58.200 0.012 0.000 1.018 2050 S CB -0.027 63.189 63.200 0.026 0.000 0.876 2050 S HN 0.642 nan 8.310 nan 0.000 0.448 2051 S N -0.061 115.637 115.700 -0.003 0.000 2.554 2051 S HA 0.342 4.813 4.470 0.001 0.000 0.278 2051 S C 0.814 175.373 174.600 -0.068 0.000 1.242 2051 S CA -0.666 57.518 58.200 -0.026 0.000 1.051 2051 S CB 0.912 64.130 63.200 0.029 0.000 0.986 2051 S HN 0.213 nan 8.310 nan 0.000 0.502 2052 I N 4.134 124.599 120.570 -0.176 0.000 2.493 2052 I HA -0.028 4.143 4.170 0.001 0.000 0.254 2052 I C 1.328 177.338 176.117 -0.178 0.000 1.160 2052 I CA 1.768 62.935 61.300 -0.221 0.000 1.445 2052 I CB -0.313 37.484 38.000 -0.339 0.000 1.086 2052 I HN 0.854 nan 8.210 nan 0.000 0.433 2053 H N -0.693 118.381 119.070 0.007 0.000 2.547 2053 H HA 0.265 4.822 4.556 0.001 0.000 0.274 2053 H C 0.842 176.189 175.328 0.033 0.000 1.024 2053 H CA -0.238 55.820 56.048 0.016 0.000 1.155 2053 H CB 0.008 29.779 29.762 0.015 0.000 1.344 2053 H HN 0.210 nan 8.280 nan 0.000 0.598 2054 S N 0.134 115.901 115.700 0.112 0.000 2.730 2054 S HA 0.174 4.645 4.470 0.001 0.000 0.284 2054 S C -0.411 174.267 174.600 0.129 0.000 1.153 2054 S CA -0.838 57.433 58.200 0.119 0.000 0.995 2054 S CB 0.945 64.198 63.200 0.088 0.000 1.058 2054 S HN 0.249 nan 8.310 nan 0.000 0.552 2055 F N 1.785 121.745 119.950 0.016 0.000 2.467 2055 F HA 0.314 4.842 4.527 0.001 0.000 0.362 2055 F C 1.194 176.995 175.800 0.001 0.000 1.090 2055 F CA -0.094 57.906 58.000 -0.000 0.000 1.202 2055 F CB 0.385 39.389 39.000 0.007 0.000 1.113 2055 F HN 0.509 nan 8.300 nan 0.000 0.541 2056 R N 3.371 123.418 120.500 -0.755 0.000 2.142 2056 R HA 0.468 4.809 4.340 0.001 0.000 0.204 2056 R C 0.567 176.301 176.300 -0.943 0.000 1.059 2056 R CA 0.273 55.997 56.100 -0.628 0.000 1.055 2056 R CB 0.148 30.257 30.300 -0.317 0.000 0.976 2056 R HN 0.890 nan 8.270 nan 0.000 0.483 2057 G N -0.743 107.265 108.800 -1.321 0.000 2.369 2057 G HA2 -0.084 3.877 3.960 0.001 0.000 0.295 2057 G HA3 -0.084 3.877 3.960 0.001 0.000 0.295 2057 G C -1.042 173.653 174.900 -0.342 0.000 1.298 2057 G CA -0.833 43.808 45.100 -0.766 0.000 0.940 2057 G HN 0.259 nan 8.290 nan 0.000 0.536 2058 H N 0.073 119.169 119.070 0.044 0.000 2.551 2058 H HA 0.502 5.059 4.556 0.001 0.000 0.271 2058 H C 1.272 176.636 175.328 0.060 0.000 0.984 2058 H CA 1.316 57.345 56.048 -0.031 0.000 1.164 2058 H CB 0.661 30.189 29.762 -0.391 0.000 1.437 2058 H HN 1.737 nan 8.280 nan 0.000 0.550 2059 G N -0.198 108.744 108.800 0.237 0.000 2.515 2059 G HA2 -0.178 3.782 3.960 0.001 0.000 0.686 2059 G HA3 -0.178 3.782 3.960 0.001 0.000 0.686 2059 G C 0.045 175.093 174.900 0.247 0.000 1.274 2059 G CA -0.316 44.926 45.100 0.237 0.000 0.874 2059 G HN 0.171 nan 8.290 nan 0.000 0.631 2060 L N 0.285 121.558 121.223 0.082 0.000 2.056 2060 L HA 0.188 4.528 4.340 0.001 0.000 0.207 2060 L C 2.451 179.207 176.870 -0.190 0.000 1.078 2060 L CA 2.994 57.614 54.840 -0.366 0.000 0.749 2060 L CB -0.759 41.019 42.059 -0.469 0.000 0.901 2060 L HN 0.806 nan 8.230 nan 0.000 0.433 2061 E N -1.457 118.739 120.200 -0.006 0.000 2.031 2061 E HA -0.299 4.051 4.350 0.001 0.000 0.193 2061 E C 2.130 178.774 176.600 0.073 0.000 0.994 2061 E CA 1.775 58.192 56.400 0.028 0.000 0.800 2061 E CB -0.406 29.337 29.700 0.071 0.000 0.752 2061 E HN 0.625 nan 8.360 nan 0.000 0.447 2062 Y N 0.792 121.118 120.300 0.043 0.000 2.224 2062 Y HA -0.158 4.393 4.550 0.001 0.000 0.289 2062 Y C 2.153 178.101 175.900 0.079 0.000 1.146 2062 Y CA 1.729 59.870 58.100 0.068 0.000 1.182 2062 Y CB -0.405 38.126 38.460 0.119 0.000 0.983 2062 Y HN 0.007 nan 8.280 nan 0.000 0.524 2063 G N -0.736 108.221 108.800 0.260 0.000 2.404 2063 G HA2 -0.210 3.750 3.960 0.001 0.000 0.215 2063 G HA3 -0.210 3.750 3.960 0.001 0.000 0.215 2063 G C 1.614 176.564 174.900 0.083 0.000 1.174 2063 G CA 1.162 46.408 45.100 0.243 0.000 0.780 2063 G HN 0.329 nan 8.290 nan 0.000 0.537 2064 V N 0.744 120.649 119.914 -0.015 0.000 2.626 2064 V HA -0.106 4.015 4.120 0.001 0.000 0.252 2064 V C 2.625 178.693 176.094 -0.044 0.000 1.067 2064 V CA 1.992 64.274 62.300 -0.031 0.000 1.081 2064 V CB -0.247 31.526 31.823 -0.083 0.000 0.686 2064 V HN 0.395 nan 8.190 nan 0.000 0.468 2065 K N 0.397 120.742 120.400 -0.091 0.000 2.025 2065 K HA -0.123 4.198 4.320 0.001 0.000 0.207 2065 K C 2.246 178.750 176.600 -0.160 0.000 1.049 2065 K CA 1.436 57.642 56.287 -0.135 0.000 0.933 2065 K CB -0.253 32.130 32.500 -0.196 0.000 0.714 2065 K HN 0.416 nan 8.250 nan 0.000 0.438 2066 A N 1.548 124.240 122.820 -0.214 0.000 1.902 2066 A HA -0.114 4.207 4.320 0.001 0.000 0.217 2066 A C 2.151 179.703 177.584 -0.053 0.000 1.181 2066 A CA 1.165 53.106 52.037 -0.160 0.000 0.623 2066 A CB -0.629 18.284 19.000 -0.145 0.000 0.818 2066 A HN 0.301 nan 8.150 nan 0.000 0.443 2067 L N -1.040 120.193 121.223 0.015 0.000 2.012 2067 L HA -0.222 4.119 4.340 0.001 0.000 0.210 2067 L C 2.813 179.680 176.870 -0.005 0.000 1.073 2067 L CA 1.939 56.814 54.840 0.057 0.000 0.748 2067 L CB -0.504 41.633 42.059 0.129 0.000 0.891 2067 L HN 0.491 nan 8.230 nan 0.000 0.431 2068 R N 0.751 121.239 120.500 -0.020 0.000 2.105 2068 R HA -0.255 4.085 4.340 0.001 0.000 0.239 2068 R C 2.320 178.584 176.300 -0.061 0.000 1.135 2068 R CA 1.870 57.950 56.100 -0.033 0.000 0.967 2068 R CB -0.077 30.200 30.300 -0.039 0.000 0.861 2068 R HN 0.059 nan 8.270 nan 0.000 0.442 2069 K N -0.002 120.349 120.400 -0.082 0.000 2.097 2069 K HA -0.075 4.245 4.320 0.001 0.000 0.206 2069 K C 1.714 178.243 176.600 -0.119 0.000 1.049 2069 K CA 1.655 57.878 56.287 -0.107 0.000 0.933 2069 K CB -0.177 32.256 32.500 -0.112 0.000 0.717 2069 K HN 0.106 nan 8.250 nan 0.000 0.442 2070 V N 1.133 120.983 119.914 -0.108 0.000 2.307 2070 V HA -0.170 3.950 4.120 0.001 0.000 0.245 2070 V C 2.425 178.495 176.094 -0.039 0.000 1.045 2070 V CA 2.029 64.268 62.300 -0.102 0.000 1.024 2070 V CB -0.514 31.052 31.823 -0.428 0.000 0.651 2070 V HN 0.428 nan 8.190 nan 0.000 0.449 2071 K N 0.013 120.384 120.400 -0.047 0.000 2.209 2071 K HA -0.233 4.087 4.320 0.001 0.000 0.204 2071 K C 2.124 178.709 176.600 -0.026 0.000 1.048 2071 K CA 1.823 58.106 56.287 -0.007 0.000 0.940 2071 K CB 0.054 32.558 32.500 0.008 0.000 0.729 2071 K HN 0.632 nan 8.250 nan 0.000 0.451 2072 E N 0.474 120.631 120.200 -0.071 0.000 2.057 2072 E HA -0.150 4.200 4.350 0.001 0.000 0.190 2072 E C 1.618 178.113 176.600 -0.175 0.000 0.969 2072 E CA 0.604 56.944 56.400 -0.099 0.000 0.812 2072 E CB 0.103 29.743 29.700 -0.100 0.000 0.777 2072 E HN 0.317 nan 8.360 nan 0.000 0.455 2073 E N -1.454 118.565 120.200 -0.301 0.000 2.478 2073 E HA -0.108 4.243 4.350 0.001 0.000 0.198 2073 E C 0.278 176.347 176.600 -0.885 0.000 1.046 2073 E CA 0.617 56.654 56.400 -0.605 0.000 0.870 2073 E CB 0.230 29.451 29.700 -0.799 0.000 0.818 2073 E HN 0.271 nan 8.360 nan 0.000 0.527 2074 F N -2.031 117.860 119.950 -0.098 0.000 2.925 2074 F HA 0.306 4.833 4.527 0.001 0.000 0.359 2074 F C 1.132 176.894 175.800 -0.064 0.000 1.038 2074 F CA 0.203 58.149 58.000 -0.090 0.000 1.130 2074 F CB 0.968 39.893 39.000 -0.125 0.000 1.093 2074 F HN -0.003 nan 8.300 nan 0.000 0.561 2075 G N 2.198 111.048 108.800 0.082 0.000 2.249 2075 G HA2 -0.299 3.661 3.960 0.001 0.000 0.273 2075 G HA3 -0.299 3.661 3.960 0.001 0.000 0.273 2075 G C -0.122 174.826 174.900 0.081 0.000 1.036 2075 G CA 0.109 45.244 45.100 0.058 0.000 0.824 2075 G HN 0.293 nan 8.290 nan 0.000 0.504 2076 L N -0.262 121.019 121.223 0.095 0.000 2.307 2076 L HA 0.418 4.759 4.340 0.001 0.000 0.282 2076 L C 1.187 178.122 176.870 0.108 0.000 1.051 2076 L CA -0.942 53.961 54.840 0.105 0.000 0.804 2076 L CB 1.103 43.223 42.059 0.102 0.000 1.197 2076 L HN 0.046 nan 8.230 nan 0.000 0.431 2077 K N 2.617 123.088 120.400 0.119 0.000 2.336 2077 K HA 0.286 4.607 4.320 0.001 0.000 0.262 2077 K C -0.589 176.093 176.600 0.137 0.000 0.992 2077 K CA -0.126 56.225 56.287 0.106 0.000 0.927 2077 K CB 0.702 33.256 32.500 0.091 0.000 0.956 2077 K HN 0.308 nan 8.250 nan 0.000 0.495 2078 I N 0.817 121.457 120.570 0.118 0.000 2.689 2078 I HA 0.267 4.437 4.170 0.001 0.000 0.299 2078 I C 0.037 176.215 176.117 0.102 0.000 1.059 2078 I CA -0.386 61.003 61.300 0.149 0.000 1.055 2078 I CB 1.892 39.980 38.000 0.147 0.000 1.243 2078 I HN 0.550 nan 8.210 nan 0.000 0.425 2079 T N 2.982 117.594 114.554 0.098 0.000 3.032 2079 T HA 0.588 4.938 4.350 0.001 0.000 0.312 2079 T C -0.978 173.758 174.700 0.061 0.000 1.078 2079 T CA -0.189 61.944 62.100 0.055 0.000 1.028 2079 T CB 1.484 70.356 68.868 0.006 0.000 1.091 2079 T HN 0.841 nan 8.240 nan 0.000 0.457 2080 T N 2.445 117.037 114.554 0.063 0.000 2.843 2080 T HA 0.579 4.930 4.350 0.001 0.000 0.302 2080 T C -1.966 172.721 174.700 -0.022 0.000 1.232 2080 T CA -0.720 61.413 62.100 0.054 0.000 1.009 2080 T CB 1.487 70.464 68.868 0.182 0.000 1.254 2080 T HN 0.778 nan 8.240 nan 0.000 0.504 2081 D N 2.426 122.730 120.400 -0.159 0.000 2.163 2081 D HA 0.487 5.127 4.640 0.001 0.000 0.248 2081 D C 0.145 176.133 176.300 -0.519 0.000 1.035 2081 D CA -0.626 53.202 54.000 -0.287 0.000 0.872 2081 D CB 1.225 41.852 40.800 -0.287 0.000 1.183 2081 D HN 0.755 nan 8.370 nan 0.000 0.445 2082 I N -1.864 118.443 120.570 -0.439 0.000 2.648 2082 I HA 0.387 4.558 4.170 0.001 0.000 0.304 2082 I C 0.014 175.769 176.117 -0.603 0.000 1.009 2082 I CA -0.829 60.202 61.300 -0.448 0.000 1.114 2082 I CB 2.070 39.955 38.000 -0.191 0.000 1.293 2082 I HN 0.310 nan 8.210 nan 0.000 0.449 2083 H N 2.358 121.366 119.070 -0.104 0.000 2.927 2083 H HA 0.425 4.981 4.556 0.001 0.000 0.255 2083 H C -0.302 174.987 175.328 -0.065 0.000 0.974 2083 H CA 0.104 56.109 56.048 -0.073 0.000 1.199 2083 H CB 0.884 30.616 29.762 -0.051 0.000 1.447 2083 H HN 0.661 nan 8.280 nan 0.000 0.467 2084 E N 0.169 120.321 120.200 -0.079 0.000 2.317 2084 E HA 0.273 4.623 4.350 0.001 0.000 0.270 2084 E C 0.269 176.751 176.600 -0.196 0.000 0.885 2084 E CA -0.415 55.943 56.400 -0.071 0.000 0.760 2084 E CB 2.651 32.398 29.700 0.078 0.000 1.227 2084 E HN -0.123 nan 8.360 nan 0.000 0.434 2085 S N 1.631 117.325 115.700 -0.010 0.000 2.389 2085 S HA -0.199 4.271 4.470 0.001 0.000 0.231 2085 S C 1.566 176.184 174.600 0.029 0.000 1.052 2085 S CA 1.893 60.107 58.200 0.023 0.000 1.053 2085 S CB -0.307 62.953 63.200 0.100 0.000 0.886 2085 S HN 0.753 nan 8.310 nan 0.000 0.456 2086 W N 1.829 123.160 121.300 0.052 0.000 2.468 2086 W HA -0.070 4.590 4.660 0.001 0.000 0.262 2086 W C 1.041 177.586 176.519 0.044 0.000 1.241 2086 W CA 0.750 58.120 57.345 0.043 0.000 1.232 2086 W CB -0.778 28.706 29.460 0.040 0.000 1.124 2086 W HN 0.421 nan 8.180 nan 0.000 0.597 2087 Q N 0.652 120.072 119.800 -0.634 0.000 2.425 2087 Q HA 0.123 4.464 4.340 0.001 0.000 0.204 2087 Q C 2.553 178.426 176.000 -0.212 0.000 0.933 2087 Q CA 0.756 56.203 55.803 -0.594 0.000 0.939 2087 Q CB -0.047 28.204 28.738 -0.811 0.000 1.044 2087 Q HN 0.295 nan 8.270 nan 0.000 0.513 2088 A N 1.655 124.403 122.820 -0.120 0.000 1.902 2088 A HA -0.254 4.066 4.320 0.001 0.000 0.217 2088 A C 1.958 179.536 177.584 -0.011 0.000 1.181 2088 A CA 1.589 53.598 52.037 -0.046 0.000 0.623 2088 A CB -0.312 18.677 19.000 -0.018 0.000 0.818 2088 A HN 0.395 nan 8.150 nan 0.000 0.443 2089 E N -0.375 119.834 120.200 0.016 0.000 2.015 2089 E HA -0.123 4.228 4.350 0.001 0.000 0.191 2089 E C -0.507 176.106 176.600 0.022 0.000 0.991 2089 E CA 1.189 57.608 56.400 0.031 0.000 0.802 2089 E CB -0.502 29.232 29.700 0.057 0.000 0.759 2089 E HN 0.477 nan 8.360 nan 0.000 0.447 2090 P HA -0.131 nan 4.420 nan 0.000 0.218 2090 P C 1.537 178.820 177.300 -0.029 0.000 1.148 2090 P CA 1.052 64.155 63.100 0.006 0.000 0.822 2090 P CB 0.061 31.776 31.700 0.026 0.000 0.784 2091 V N 0.683 120.571 119.914 -0.043 0.000 2.591 2091 V HA -0.083 4.037 4.120 0.001 0.000 0.249 2091 V C 2.708 178.810 176.094 0.013 0.000 1.053 2091 V CA 1.699 63.986 62.300 -0.022 0.000 1.068 2091 V CB -1.494 30.337 31.823 0.015 0.000 0.689 2091 V HN 0.086 nan 8.190 nan 0.000 0.462 2092 A N -0.383 122.445 122.820 0.013 0.000 2.225 2092 A HA -0.144 4.176 4.320 0.001 0.000 0.215 2092 A C 2.039 179.637 177.584 0.022 0.000 1.164 2092 A CA 1.110 53.160 52.037 0.022 0.000 0.710 2092 A CB -0.305 18.707 19.000 0.021 0.000 0.780 2092 A HN 0.578 nan 8.150 nan 0.000 0.473 2093 E N -0.467 119.742 120.200 0.016 0.000 2.152 2093 E HA -0.063 4.287 4.350 0.001 0.000 0.192 2093 E C 1.603 178.213 176.600 0.017 0.000 0.983 2093 E CA 1.437 57.845 56.400 0.013 0.000 0.818 2093 E CB -0.099 29.604 29.700 0.006 0.000 0.758 2093 E HN 0.489 nan 8.360 nan 0.000 0.467 2094 V N 0.236 120.164 119.914 0.023 0.000 3.455 2094 V HA 0.226 4.347 4.120 0.001 0.000 0.250 2094 V C 0.868 176.993 176.094 0.052 0.000 1.230 2094 V CA 0.415 62.734 62.300 0.033 0.000 1.105 2094 V CB 0.437 32.279 31.823 0.032 0.000 0.850 2094 V HN 0.059 nan 8.190 nan 0.000 0.461 2095 A N 0.619 123.473 122.820 0.057 0.000 2.354 2095 A HA 0.252 4.573 4.320 0.001 0.000 0.281 2095 A C 0.854 178.473 177.584 0.058 0.000 1.174 2095 A CA -0.142 51.935 52.037 0.068 0.000 0.828 2095 A CB -0.031 19.012 19.000 0.072 0.000 1.099 2095 A HN 0.358 nan 8.150 nan 0.000 0.516 2096 D N 1.601 122.038 120.400 0.063 0.000 2.234 2096 D HA 0.051 4.691 4.640 0.001 0.000 0.205 2096 D C 0.133 176.472 176.300 0.066 0.000 0.962 2096 D CA 1.441 55.478 54.000 0.062 0.000 0.855 2096 D CB 0.268 41.107 40.800 0.065 0.000 0.951 2096 D HN 0.582 nan 8.370 nan 0.000 0.500 2097 I N 1.479 122.085 120.570 0.059 0.000 2.512 2097 I HA 0.262 4.432 4.170 0.001 0.000 0.287 2097 I C -0.431 175.714 176.117 0.046 0.000 1.069 2097 I CA -0.615 60.721 61.300 0.061 0.000 1.056 2097 I CB 2.668 40.685 38.000 0.029 0.000 1.229 2097 I HN -0.313 nan 8.210 nan 0.000 0.429 2098 I N 5.506 126.103 120.570 0.045 0.000 2.371 2098 I HA 0.191 4.362 4.170 0.001 0.000 0.290 2098 I C 0.204 176.325 176.117 0.006 0.000 1.028 2098 I CA -0.116 61.197 61.300 0.022 0.000 1.345 2098 I CB 1.164 39.173 38.000 0.015 0.000 1.407 2098 I HN 0.587 nan 8.210 nan 0.000 0.501 2099 Q N 6.450 126.235 119.800 -0.024 0.000 2.290 2099 Q HA 0.400 4.740 4.340 0.001 0.000 0.259 2099 Q C -1.060 174.884 176.000 -0.093 0.000 0.941 2099 Q CA -0.805 54.968 55.803 -0.050 0.000 0.912 2099 Q CB 1.384 30.095 28.738 -0.045 0.000 1.244 2099 Q HN 0.475 nan 8.270 nan 0.000 0.441 2100 I N 6.754 127.276 120.570 -0.081 0.000 2.304 2100 I HA 0.310 4.480 4.170 0.001 0.000 0.291 2100 I C -2.156 173.896 176.117 -0.107 0.000 1.018 2100 I CA -2.591 58.660 61.300 -0.082 0.000 1.260 2100 I CB 0.741 38.714 38.000 -0.044 0.000 1.390 2100 I HN 0.465 nan 8.210 nan 0.000 0.475 2101 P HA 0.043 nan 4.420 nan 0.000 0.267 2101 P C 0.692 177.915 177.300 -0.127 0.000 1.200 2101 P CA 0.086 63.118 63.100 -0.114 0.000 0.772 2101 P CB 0.846 32.554 31.700 0.013 0.000 0.855 2102 A N 2.788 125.445 122.820 -0.271 0.000 1.903 2102 A HA -0.246 4.075 4.320 0.001 0.000 0.219 2102 A C 1.699 179.229 177.584 -0.090 0.000 1.191 2102 A CA 1.853 53.707 52.037 -0.305 0.000 0.638 2102 A CB -1.726 16.966 19.000 -0.514 0.000 0.823 2102 A HN 0.517 nan 8.150 nan 0.000 0.451 2103 F N -0.393 119.598 119.950 0.067 0.000 2.333 2103 F HA -0.007 4.520 4.527 0.001 0.000 0.300 2103 F C 1.639 177.543 175.800 0.172 0.000 1.083 2103 F CA 0.712 58.830 58.000 0.197 0.000 1.395 2103 F CB -0.433 38.631 39.000 0.106 0.000 1.056 2103 F HN 0.101 nan 8.300 nan 0.000 0.529 2104 L N -0.618 120.761 121.223 0.260 0.000 2.667 2104 L HA 0.087 4.427 4.340 0.001 0.000 0.232 2104 L C 1.972 178.915 176.870 0.122 0.000 1.138 2104 L CA -0.076 54.865 54.840 0.169 0.000 0.921 2104 L CB -0.730 41.402 42.059 0.121 0.000 1.180 2104 L HN 0.250 nan 8.230 nan 0.000 0.487 2105 C N -1.311 118.064 119.300 0.126 0.000 2.413 2105 C HA 0.010 4.471 4.460 0.001 0.000 0.292 2105 C C 1.983 177.025 174.990 0.087 0.000 1.435 2105 C CA 0.488 59.546 59.018 0.067 0.000 1.791 2105 C CB -1.747 25.996 27.740 0.004 0.000 1.784 2105 C HN 0.556 nan 8.230 nan 0.000 0.548 2106 G N -0.977 107.903 108.800 0.133 0.000 3.192 2106 G HA2 0.206 4.167 3.960 0.001 0.000 0.239 2106 G HA3 0.206 4.167 3.960 0.001 0.000 0.239 2106 G C 0.525 175.457 174.900 0.053 0.000 1.084 2106 G CA -0.104 45.052 45.100 0.093 0.000 0.784 2106 G HN 0.529 nan 8.290 nan 0.000 0.540 2107 Q N 1.480 121.313 119.800 0.055 0.000 2.431 2107 Q HA 0.158 4.498 4.340 0.001 0.000 0.234 2107 Q C 1.327 177.345 176.000 0.030 0.000 1.203 2107 Q CA -0.041 55.785 55.803 0.039 0.000 0.902 2107 Q CB 0.475 29.242 28.738 0.048 0.000 1.455 2107 Q HN 0.197 nan 8.270 nan 0.000 0.515 2108 T N 1.097 115.663 114.554 0.019 0.000 2.649 2108 T HA -0.205 4.146 4.350 0.001 0.000 0.268 2108 T C 0.973 175.692 174.700 0.031 0.000 1.036 2108 T CA 1.810 63.919 62.100 0.014 0.000 1.157 2108 T CB 0.084 68.948 68.868 -0.007 0.000 0.861 2108 T HN 0.466 nan 8.240 nan 0.000 0.445 2109 D N 0.552 120.973 120.400 0.035 0.000 2.144 2109 D HA -0.013 4.628 4.640 0.001 0.000 0.200 2109 D C 2.010 178.337 176.300 0.045 0.000 0.978 2109 D CA 0.533 54.562 54.000 0.047 0.000 0.833 2109 D CB -0.334 40.497 40.800 0.052 0.000 0.961 2109 D HN 0.217 nan 8.370 nan 0.000 0.470 2110 L N 0.450 121.695 121.223 0.037 0.000 2.156 2110 L HA -0.024 4.317 4.340 0.001 0.000 0.208 2110 L C 2.083 178.964 176.870 0.018 0.000 1.095 2110 L CA 1.081 55.934 54.840 0.022 0.000 0.770 2110 L CB -0.236 41.835 42.059 0.019 0.000 0.914 2110 L HN -0.025 nan 8.230 nan 0.000 0.439 2111 L N -1.681 119.558 121.223 0.028 0.000 2.095 2111 L HA -0.147 4.193 4.340 0.001 0.000 0.204 2111 L C 2.379 179.276 176.870 0.045 0.000 1.080 2111 L CA 0.897 55.755 54.840 0.031 0.000 0.759 2111 L CB -0.466 41.612 42.059 0.031 0.000 0.914 2111 L HN 0.225 nan 8.230 nan 0.000 0.439 2112 L N -0.255 121.005 121.223 0.061 0.000 2.083 2112 L HA -0.178 4.162 4.340 0.001 0.000 0.209 2112 L C 2.860 179.766 176.870 0.060 0.000 1.083 2112 L CA 1.099 55.988 54.840 0.082 0.000 0.752 2112 L CB -0.712 41.412 42.059 0.108 0.000 0.899 2112 L HN 0.237 nan 8.230 nan 0.000 0.433 2113 A N 0.042 122.890 122.820 0.048 0.000 1.898 2113 A HA -0.135 4.186 4.320 0.001 0.000 0.216 2113 A C 2.542 180.142 177.584 0.026 0.000 1.181 2113 A CA 1.631 53.691 52.037 0.038 0.000 0.620 2113 A CB -0.647 18.373 19.000 0.034 0.000 0.819 2113 A HN 0.385 nan 8.150 nan 0.000 0.442 2114 A N -0.118 122.713 122.820 0.020 0.000 1.902 2114 A HA 0.176 4.497 4.320 0.001 0.000 0.217 2114 A C 2.488 180.087 177.584 0.025 0.000 1.181 2114 A CA 2.016 54.062 52.037 0.015 0.000 0.623 2114 A CB -0.971 18.035 19.000 0.010 0.000 0.818 2114 A HN 1.039 nan 8.150 nan 0.000 0.443 2115 A N -0.172 122.667 122.820 0.032 0.000 1.933 2115 A HA -0.156 4.165 4.320 0.001 0.000 0.218 2115 A C 2.112 179.709 177.584 0.022 0.000 1.175 2115 A CA 1.940 53.996 52.037 0.031 0.000 0.628 2115 A CB -0.445 18.580 19.000 0.042 0.000 0.814 2115 A HN 0.569 nan 8.150 nan 0.000 0.444 2116 K N 0.061 120.475 120.400 0.024 0.000 2.147 2116 K HA -0.159 4.162 4.320 0.001 0.000 0.205 2116 K C 1.880 178.489 176.600 0.016 0.000 1.049 2116 K CA 1.899 58.196 56.287 0.017 0.000 0.936 2116 K CB -0.385 32.130 32.500 0.024 0.000 0.722 2116 K HN 0.598 nan 8.250 nan 0.000 0.446 2117 T N -2.920 111.646 114.554 0.020 0.000 3.077 2117 T HA 0.040 4.391 4.350 0.001 0.000 0.269 2117 T C 1.476 176.188 174.700 0.019 0.000 1.146 2117 T CA 1.037 63.149 62.100 0.020 0.000 1.091 2117 T CB -0.384 68.497 68.868 0.021 0.000 0.892 2117 T HN 0.489 nan 8.240 nan 0.000 0.533 2118 G N 1.420 110.230 108.800 0.018 0.000 2.267 2118 G HA2 -0.296 3.664 3.960 0.001 0.000 0.257 2118 G HA3 -0.296 3.664 3.960 0.001 0.000 0.257 2118 G C 0.533 175.448 174.900 0.025 0.000 0.998 2118 G CA 0.146 45.256 45.100 0.017 0.000 0.620 2118 G HN 0.641 nan 8.290 nan 0.000 0.529 2119 R N 0.939 121.457 120.500 0.031 0.000 2.919 2119 R HA 0.585 4.925 4.340 0.001 0.000 0.284 2119 R C 0.964 177.296 176.300 0.054 0.000 1.104 2119 R CA 0.438 56.564 56.100 0.043 0.000 1.207 2119 R CB -0.430 29.897 30.300 0.044 0.000 1.162 2119 R HN 0.821 nan 8.270 nan 0.000 0.561 2120 A N 0.565 123.433 122.820 0.079 0.000 2.340 2120 A HA 0.455 4.775 4.320 0.001 0.000 0.268 2120 A C -0.372 177.286 177.584 0.122 0.000 1.100 2120 A CA -0.507 51.600 52.037 0.117 0.000 0.803 2120 A CB 0.740 19.861 19.000 0.203 0.000 1.043 2120 A HN 0.306 nan 8.150 nan 0.000 0.488 2121 V N 2.514 122.507 119.914 0.133 0.000 2.540 2121 V HA 0.374 4.494 4.120 0.001 0.000 0.302 2121 V C -0.008 176.194 176.094 0.179 0.000 1.035 2121 V CA -0.748 61.620 62.300 0.113 0.000 0.873 2121 V CB 1.681 33.542 31.823 0.063 0.000 0.992 2121 V HN 0.967 nan 8.190 nan 0.000 0.428 2122 N N 3.301 122.076 118.700 0.125 0.000 2.518 2122 N HA 0.506 5.246 4.740 0.001 0.000 0.254 2122 N C -1.292 174.229 175.510 0.019 0.000 0.979 2122 N CA -0.383 52.735 53.050 0.113 0.000 0.930 2122 N CB 1.682 40.187 38.487 0.030 0.000 1.152 2122 N HN 0.457 nan 8.380 nan 0.000 0.505 2123 V N 3.812 123.736 119.914 0.017 0.000 2.432 2123 V HA 0.240 4.361 4.120 0.001 0.000 0.275 2123 V C 0.271 176.308 176.094 -0.095 0.000 1.043 2123 V CA -0.567 61.712 62.300 -0.036 0.000 0.925 2123 V CB 1.158 32.972 31.823 -0.014 0.000 0.985 2123 V HN 0.544 nan 8.190 nan 0.000 0.466 2124 K N 4.117 124.423 120.400 -0.158 0.000 2.312 2124 K HA 0.206 4.527 4.320 0.001 0.000 0.287 2124 K C 0.065 176.524 176.600 -0.234 0.000 1.062 2124 K CA -0.330 55.810 56.287 -0.246 0.000 0.934 2124 K CB 0.875 33.175 32.500 -0.333 0.000 1.027 2124 K HN 0.619 nan 8.250 nan 0.000 0.478 2125 K N 1.862 122.118 120.400 -0.240 0.000 2.402 2125 K HA 0.058 4.378 4.320 0.001 0.000 0.285 2125 K C 0.328 176.693 176.600 -0.391 0.000 1.054 2125 K CA -0.062 56.066 56.287 -0.265 0.000 1.001 2125 K CB 0.327 32.688 32.500 -0.232 0.000 0.946 2125 K HN 0.690 nan 8.250 nan 0.000 0.473 2126 G N 3.327 111.807 108.800 -0.533 0.000 2.484 2126 G HA2 -0.096 3.864 3.960 0.001 0.000 0.235 2126 G HA3 -0.096 3.864 3.960 0.001 0.000 0.235 2126 G C 0.204 174.579 174.900 -0.875 0.000 1.282 2126 G CA -0.441 44.113 45.100 -0.911 0.000 0.857 2126 G HN 0.822 nan 8.290 nan 0.000 0.571 2127 Q N 0.627 120.073 119.800 -0.591 0.000 2.291 2127 Q HA -0.090 4.251 4.340 0.001 0.000 0.206 2127 Q C 1.756 177.637 176.000 -0.197 0.000 0.976 2127 Q CA 1.596 57.235 55.803 -0.273 0.000 0.875 2127 Q CB -0.213 28.503 28.738 -0.036 0.000 0.927 2127 Q HN 0.826 nan 8.270 nan 0.000 0.450 2128 F N -2.450 117.510 119.950 0.017 0.000 2.749 2128 F HA 0.327 4.854 4.527 0.001 0.000 0.300 2128 F C 0.301 176.091 175.800 -0.017 0.000 1.103 2128 F CA -0.860 57.150 58.000 0.017 0.000 1.342 2128 F CB -0.049 38.978 39.000 0.044 0.000 1.098 2128 F HN -0.103 nan 8.300 nan 0.000 0.586 2129 L N 2.005 122.973 121.223 -0.425 0.000 2.312 2129 L HA 0.738 5.079 4.340 0.001 0.000 0.281 2129 L C 0.216 176.936 176.870 -0.250 0.000 1.070 2129 L CA -1.060 53.641 54.840 -0.233 0.000 0.805 2129 L CB 0.889 42.737 42.059 -0.353 0.000 1.174 2129 L HN 0.195 nan 8.230 nan 0.000 0.434 2130 A N 6.314 128.987 122.820 -0.244 0.000 2.371 2130 A HA 0.504 4.824 4.320 0.001 0.000 0.257 2130 A C -1.798 175.371 177.584 -0.691 0.000 1.089 2130 A CA -1.040 50.673 52.037 -0.539 0.000 0.794 2130 A CB -0.156 18.515 19.000 -0.548 0.000 1.029 2130 A HN 0.772 nan 8.150 nan 0.000 0.488 2131 P HA -0.206 nan 4.420 nan 0.000 0.215 2131 P C 0.978 178.179 177.300 -0.164 0.000 1.163 2131 P CA 2.270 65.068 63.100 -0.502 0.000 0.894 2131 P CB -0.188 31.206 31.700 -0.510 0.000 0.791 2132 W N -0.367 121.069 121.300 0.226 0.000 2.468 2132 W HA -0.023 4.638 4.660 0.001 0.000 0.262 2132 W C 0.891 177.475 176.519 0.108 0.000 1.241 2132 W CA 0.690 58.234 57.345 0.332 0.000 1.232 2132 W CB -1.903 27.695 29.460 0.230 0.000 1.124 2132 W HN -0.078 nan 8.180 nan 0.000 0.597 2133 D N 0.700 121.133 120.400 0.055 0.000 2.349 2133 D HA -0.068 4.573 4.640 0.001 0.000 0.224 2133 D C 1.896 178.163 176.300 -0.056 0.000 1.029 2133 D CA 1.613 55.628 54.000 0.024 0.000 0.879 2133 D CB -0.232 40.582 40.800 0.023 0.000 0.906 2133 D HN 0.381 nan 8.370 nan 0.000 0.528 2134 T N -2.435 112.102 114.554 -0.028 0.000 3.081 2134 T HA 0.012 4.362 4.350 0.001 0.000 0.255 2134 T C 1.714 176.265 174.700 -0.249 0.000 1.113 2134 T CA 0.151 62.235 62.100 -0.027 0.000 1.082 2134 T CB 0.377 69.330 68.868 0.142 0.000 0.939 2134 T HN 0.013 nan 8.240 nan 0.000 0.506 2135 K N 1.793 121.797 120.400 -0.660 0.000 2.032 2135 K HA -0.144 4.177 4.320 0.001 0.000 0.209 2135 K C 2.067 178.338 176.600 -0.547 0.000 1.048 2135 K CA 1.837 57.373 56.287 -1.251 0.000 0.927 2135 K CB -0.372 31.255 32.500 -1.454 0.000 0.712 2135 K HN 0.499 nan 8.250 nan 0.000 0.441 2136 N N -0.253 118.248 118.700 -0.331 0.000 2.289 2136 N HA -0.138 4.603 4.740 0.001 0.000 0.184 2136 N C 1.636 177.069 175.510 -0.128 0.000 1.016 2136 N CA 0.924 53.862 53.050 -0.187 0.000 0.872 2136 N CB 0.118 38.532 38.487 -0.123 0.000 0.973 2136 N HN -0.010 nan 8.380 nan 0.000 0.433 2137 V N 0.554 120.400 119.914 -0.113 0.000 2.358 2137 V HA -0.163 3.958 4.120 0.001 0.000 0.246 2137 V C 2.216 178.286 176.094 -0.041 0.000 1.047 2137 V CA 1.236 63.503 62.300 -0.055 0.000 1.035 2137 V CB -0.346 31.458 31.823 -0.032 0.000 0.658 2137 V HN 0.132 nan 8.190 nan 0.000 0.452 2138 V N 0.097 119.974 119.914 -0.063 0.000 2.343 2138 V HA -0.280 3.841 4.120 0.001 0.000 0.247 2138 V C 2.468 178.552 176.094 -0.017 0.000 1.051 2138 V CA 2.291 64.579 62.300 -0.019 0.000 1.036 2138 V CB -0.567 31.260 31.823 0.008 0.000 0.654 2138 V HN 0.693 nan 8.190 nan 0.000 0.451 2139 E N 0.373 120.537 120.200 -0.060 0.000 2.077 2139 E HA -0.271 4.079 4.350 0.001 0.000 0.193 2139 E C 2.247 178.864 176.600 0.030 0.000 0.989 2139 E CA 1.441 57.827 56.400 -0.024 0.000 0.800 2139 E CB -0.060 29.598 29.700 -0.071 0.000 0.746 2139 E HN 0.576 nan 8.360 nan 0.000 0.452 2140 K N 0.141 120.542 120.400 0.001 0.000 2.097 2140 K HA -0.128 4.193 4.320 0.001 0.000 0.206 2140 K C 2.275 178.944 176.600 0.114 0.000 1.049 2140 K CA 1.210 57.515 56.287 0.031 0.000 0.933 2140 K CB -0.092 32.404 32.500 -0.008 0.000 0.717 2140 K HN 0.227 nan 8.250 nan 0.000 0.442 2141 L N 0.904 122.170 121.223 0.072 0.000 2.109 2141 L HA -0.164 4.177 4.340 0.001 0.000 0.207 2141 L C 2.251 179.168 176.870 0.079 0.000 1.086 2141 L CA 1.227 56.110 54.840 0.072 0.000 0.760 2141 L CB -0.234 41.850 42.059 0.042 0.000 0.910 2141 L HN 0.113 nan 8.230 nan 0.000 0.437 2142 K N -0.445 120.003 120.400 0.079 0.000 2.057 2142 K HA -0.198 4.122 4.320 0.001 0.000 0.206 2142 K C 2.066 178.720 176.600 0.090 0.000 1.050 2142 K CA 1.464 57.791 56.287 0.067 0.000 0.935 2142 K CB -0.255 32.281 32.500 0.060 0.000 0.715 2142 K HN 0.112 nan 8.250 nan 0.000 0.439 2143 F N 1.148 121.093 119.950 -0.008 0.000 2.216 2143 F HA -0.094 4.433 4.527 0.001 0.000 0.300 2143 F C 1.744 177.543 175.800 -0.001 0.000 1.085 2143 F CA 1.509 59.505 58.000 -0.006 0.000 1.326 2143 F CB -0.173 38.822 39.000 -0.009 0.000 1.027 2143 F HN -0.037 nan 8.300 nan 0.000 0.497 2144 G N -1.058 107.821 108.800 0.132 0.000 3.088 2144 G HA2 0.307 4.268 3.960 0.001 0.000 0.212 2144 G HA3 0.307 4.268 3.960 0.001 0.000 0.212 2144 G C 1.181 176.067 174.900 -0.023 0.000 1.173 2144 G CA 0.240 45.366 45.100 0.044 0.000 0.779 2144 G HN 0.929 nan 8.290 nan 0.000 0.540 2145 G N -1.349 107.427 108.800 -0.040 0.000 2.131 2145 G HA2 0.137 4.097 3.960 0.001 0.000 0.223 2145 G HA3 0.137 4.097 3.960 0.001 0.000 0.223 2145 G C 0.441 175.336 174.900 -0.008 0.000 0.990 2145 G CA 0.112 45.190 45.100 -0.037 0.000 0.671 2145 G HN 1.276 nan 8.290 nan 0.000 0.521 2146 A N -0.476 122.349 122.820 0.008 0.000 2.354 2146 A HA 0.793 5.114 4.320 0.001 0.000 0.269 2146 A C 1.044 178.628 177.584 0.001 0.000 1.109 2146 A CA 0.826 52.870 52.037 0.011 0.000 0.800 2146 A CB 0.642 19.655 19.000 0.022 0.000 1.045 2146 A HN 0.343 nan 8.150 nan 0.000 0.489 2147 K N 0.206 120.602 120.400 -0.007 0.000 2.443 2147 K HA 0.118 4.438 4.320 0.001 0.000 0.200 2147 K C 0.108 176.680 176.600 -0.048 0.000 1.278 2147 K CA 0.223 56.499 56.287 -0.018 0.000 0.925 2147 K CB 0.625 33.118 32.500 -0.011 0.000 1.225 2147 K HN 0.794 nan 8.250 nan 0.000 0.514 2148 E N 2.089 122.257 120.200 -0.054 0.000 2.063 2148 E HA 0.287 4.637 4.350 0.001 0.000 0.265 2148 E C -1.244 175.251 176.600 -0.175 0.000 0.919 2148 E CA -0.215 56.103 56.400 -0.135 0.000 0.756 2148 E CB 0.548 30.219 29.700 -0.048 0.000 1.120 2148 E HN 0.107 nan 8.360 nan 0.000 0.414 2149 I N 4.522 124.926 120.570 -0.277 0.000 2.436 2149 I HA 0.314 4.484 4.170 0.001 0.000 0.289 2149 I C -1.052 174.879 176.117 -0.310 0.000 1.010 2149 I CA -0.889 60.302 61.300 -0.181 0.000 1.098 2149 I CB 1.106 39.072 38.000 -0.057 0.000 1.266 2149 I HN 0.459 nan 8.210 nan 0.000 0.434 2150 Y N 5.839 126.143 120.300 0.007 0.000 2.393 2150 Y HA 0.608 5.159 4.550 0.001 0.000 0.341 2150 Y C -0.356 175.535 175.900 -0.014 0.000 0.988 2150 Y CA -0.784 57.311 58.100 -0.007 0.000 1.078 2150 Y CB 1.824 40.270 38.460 -0.024 0.000 1.203 2150 Y HN 0.297 nan 8.280 nan 0.000 0.453 2151 L N 3.178 124.486 121.223 0.142 0.000 2.313 2151 L HA 0.556 4.896 4.340 0.001 0.000 0.283 2151 L C -0.586 176.290 176.870 0.010 0.000 1.013 2151 L CA -0.491 54.384 54.840 0.059 0.000 0.816 2151 L CB 1.823 43.924 42.059 0.070 0.000 1.236 2151 L HN 0.666 nan 8.230 nan 0.000 0.419 2152 T N 1.345 115.859 114.554 -0.067 0.000 2.779 2152 T HA 0.220 4.571 4.350 0.001 0.000 0.280 2152 T C -0.328 174.263 174.700 -0.181 0.000 0.987 2152 T CA -0.481 61.538 62.100 -0.133 0.000 0.966 2152 T CB 1.620 70.347 68.868 -0.235 0.000 0.933 2152 T HN 0.402 nan 8.240 nan 0.000 0.442 2153 E N 2.671 122.786 120.200 -0.141 0.000 2.223 2153 E HA 0.267 4.617 4.350 0.001 0.000 0.282 2153 E C 0.441 176.887 176.600 -0.255 0.000 1.046 2153 E CA -0.532 55.777 56.400 -0.153 0.000 0.857 2153 E CB 0.438 30.117 29.700 -0.034 0.000 1.055 2153 E HN 0.610 nan 8.360 nan 0.000 0.409 2154 R N 3.146 123.479 120.500 -0.278 0.000 2.642 2154 R HA 0.503 4.844 4.340 0.001 0.000 0.435 2154 R C 0.160 176.328 176.300 -0.220 0.000 1.046 2154 R CA -0.195 55.723 56.100 -0.302 0.000 1.103 2154 R CB 0.079 30.156 30.300 -0.372 0.000 1.425 2154 R HN 0.640 nan 8.270 nan 0.000 0.586 2155 G N -0.015 108.667 108.800 -0.196 0.000 2.690 2155 G HA2 -0.066 3.895 3.960 0.001 0.000 0.686 2155 G HA3 -0.066 3.895 3.960 0.001 0.000 0.686 2155 G C -0.859 173.944 174.900 -0.161 0.000 1.277 2155 G CA -0.438 44.566 45.100 -0.161 0.000 0.799 2155 G HN 0.188 nan 8.290 nan 0.000 0.613 2156 T N 1.063 115.544 114.554 -0.122 0.000 2.876 2156 T HA 0.649 5.000 4.350 0.001 0.000 0.289 2156 T C 0.508 175.215 174.700 0.012 0.000 1.014 2156 T CA 0.011 62.057 62.100 -0.088 0.000 0.986 2156 T CB 1.641 70.444 68.868 -0.108 0.000 1.021 2156 T HN 0.864 nan 8.240 nan 0.000 0.458 2157 T N 3.139 117.722 114.554 0.047 0.000 2.831 2157 T HA 0.154 4.505 4.350 0.001 0.000 0.291 2157 T C -0.733 174.071 174.700 0.174 0.000 0.981 2157 T CA 0.525 62.692 62.100 0.112 0.000 1.174 2157 T CB -0.454 68.487 68.868 0.122 0.000 0.929 2157 T HN 0.408 nan 8.240 nan 0.000 0.532 2158 F N 4.090 124.030 119.950 -0.017 0.000 2.676 2158 F HA 0.526 5.053 4.527 0.001 0.000 0.371 2158 F C 0.689 176.458 175.800 -0.051 0.000 1.141 2158 F CA 0.041 58.018 58.000 -0.038 0.000 1.133 2158 F CB -0.097 38.882 39.000 -0.035 0.000 1.376 2158 F HN 0.909 nan 8.300 nan 0.000 0.491 2159 G N 3.029 111.602 108.800 -0.378 0.000 2.562 2159 G HA2 -0.290 3.671 3.960 0.001 0.000 0.250 2159 G HA3 -0.290 3.671 3.960 0.001 0.000 0.250 2159 G C -1.340 173.401 174.900 -0.265 0.000 1.269 2159 G CA -0.263 44.550 45.100 -0.478 0.000 0.919 2159 G HN 0.527 nan 8.290 nan 0.000 0.574 2160 Y N 1.640 121.900 120.300 -0.066 0.000 2.334 2160 Y HA 0.501 5.051 4.550 0.001 0.000 0.328 2160 Y C 1.395 177.302 175.900 0.013 0.000 1.130 2160 Y CA -0.484 57.607 58.100 -0.014 0.000 1.163 2160 Y CB 1.136 39.586 38.460 -0.016 0.000 1.207 2160 Y HN 0.650 nan 8.280 nan 0.000 0.471 2161 N N 1.700 120.532 118.700 0.221 0.000 2.721 2161 N HA -0.316 4.425 4.740 0.001 0.000 0.249 2161 N C -0.812 174.776 175.510 0.130 0.000 1.072 2161 N CA 1.040 54.177 53.050 0.145 0.000 0.710 2161 N CB -1.151 37.404 38.487 0.113 0.000 0.993 2161 N HN 0.899 nan 8.380 nan 0.000 0.547 2162 N N -0.390 118.393 118.700 0.139 0.000 2.405 2162 N HA 0.553 5.293 4.740 0.001 0.000 0.274 2162 N C -1.525 174.080 175.510 0.159 0.000 1.170 2162 N CA -0.536 52.602 53.050 0.146 0.000 0.848 2162 N CB 1.554 40.147 38.487 0.176 0.000 1.629 2162 N HN -0.012 nan 8.380 nan 0.000 0.481 2163 L N 2.082 123.378 121.223 0.121 0.000 2.381 2163 L HA 0.684 5.025 4.340 0.001 0.000 0.268 2163 L C -0.718 176.158 176.870 0.009 0.000 0.997 2163 L CA -0.980 53.904 54.840 0.073 0.000 0.818 2163 L CB 2.061 44.134 42.059 0.023 0.000 1.310 2163 L HN 0.279 nan 8.230 nan 0.000 0.416 2164 V N 3.018 122.893 119.914 -0.065 0.000 2.769 2164 V HA 0.565 4.686 4.120 0.001 0.000 0.312 2164 V C -0.782 175.193 176.094 -0.199 0.000 1.061 2164 V CA -0.511 61.663 62.300 -0.209 0.000 0.931 2164 V CB 2.574 34.101 31.823 -0.493 0.000 1.010 2164 V HN 0.409 nan 8.190 nan 0.000 0.433 2165 V N 4.996 124.778 119.914 -0.221 0.000 2.333 2165 V HA 0.360 4.480 4.120 0.001 0.000 0.274 2165 V C -0.347 175.506 176.094 -0.402 0.000 1.028 2165 V CA -0.447 61.643 62.300 -0.350 0.000 0.851 2165 V CB 1.330 32.868 31.823 -0.476 0.000 1.000 2165 V HN 0.928 nan 8.190 nan 0.000 0.456 2166 D N 4.125 124.318 120.400 -0.345 0.000 2.441 2166 D HA 0.242 4.882 4.640 0.001 0.000 0.221 2166 D C 0.700 176.850 176.300 -0.249 0.000 1.156 2166 D CA -0.397 53.472 54.000 -0.218 0.000 0.896 2166 D CB 0.479 41.182 40.800 -0.162 0.000 1.028 2166 D HN 0.389 nan 8.370 nan 0.000 0.509 2167 F N 1.906 121.800 119.950 -0.093 0.000 2.583 2167 F HA -0.014 4.514 4.527 0.001 0.000 0.297 2167 F C 2.210 177.962 175.800 -0.080 0.000 1.131 2167 F CA 0.452 58.393 58.000 -0.098 0.000 1.467 2167 F CB -0.016 38.911 39.000 -0.122 0.000 1.097 2167 F HN 0.297 nan 8.300 nan 0.000 0.586 2168 R N -0.190 120.345 120.500 0.058 0.000 2.148 2168 R HA -0.132 4.208 4.340 0.001 0.000 0.227 2168 R C 2.525 178.824 176.300 -0.001 0.000 1.103 2168 R CA 1.334 57.461 56.100 0.044 0.000 0.983 2168 R CB -0.557 29.781 30.300 0.063 0.000 0.874 2168 R HN 0.359 nan 8.270 nan 0.000 0.451 2169 S N 0.835 116.494 115.700 -0.068 0.000 2.400 2169 S HA -0.145 4.326 4.470 0.001 0.000 0.232 2169 S C 1.877 176.421 174.600 -0.093 0.000 1.025 2169 S CA 0.887 59.018 58.200 -0.115 0.000 0.993 2169 S CB -0.225 62.866 63.200 -0.182 0.000 0.808 2169 S HN 0.066 nan 8.310 nan 0.000 0.478 2170 L N 2.804 123.988 121.223 -0.065 0.000 1.970 2170 L HA 0.029 4.370 4.340 0.001 0.000 0.212 2170 L C -0.376 176.437 176.870 -0.095 0.000 1.071 2170 L CA 1.956 56.761 54.840 -0.059 0.000 0.751 2170 L CB -1.646 40.407 42.059 -0.010 0.000 0.889 2170 L HN 0.278 nan 8.230 nan 0.000 0.432 2171 P HA -0.132 nan 4.420 nan 0.000 0.221 2171 P C 2.060 179.263 177.300 -0.161 0.000 1.150 2171 P CA 1.490 64.528 63.100 -0.105 0.000 0.800 2171 P CB 0.102 31.767 31.700 -0.058 0.000 0.787 2172 I N -0.689 119.801 120.570 -0.133 0.000 2.163 2172 I HA -0.202 3.969 4.170 0.001 0.000 0.240 2172 I C 2.747 178.575 176.117 -0.482 0.000 1.081 2172 I CA 1.552 62.744 61.300 -0.181 0.000 1.353 2172 I CB -0.609 37.407 38.000 0.027 0.000 1.054 2172 I HN -0.151 nan 8.210 nan 0.000 0.407 2173 M N 0.172 119.567 119.600 -0.342 0.000 2.229 2173 M HA -0.173 4.307 4.480 0.001 0.000 0.264 2173 M C 2.197 178.132 176.300 -0.609 0.000 1.063 2173 M CA 1.253 56.299 55.300 -0.423 0.000 1.114 2173 M CB -0.395 32.148 32.600 -0.095 0.000 1.387 2173 M HN 0.002 nan 8.290 nan 0.000 0.420 2174 K N 1.200 121.363 120.400 -0.395 0.000 2.281 2174 K HA -0.170 4.150 4.320 0.001 0.000 0.203 2174 K C 1.645 178.026 176.600 -0.364 0.000 1.046 2174 K CA 1.526 57.638 56.287 -0.291 0.000 0.938 2174 K CB -0.215 32.171 32.500 -0.190 0.000 0.737 2174 K HN 0.441 nan 8.250 nan 0.000 0.458 2175 Q N -1.242 118.177 119.800 -0.634 0.000 2.226 2175 Q HA -0.132 4.209 4.340 0.001 0.000 0.204 2175 Q C 0.571 176.409 176.000 -0.271 0.000 0.975 2175 Q CA 1.636 57.127 55.803 -0.520 0.000 0.866 2175 Q CB -0.080 28.210 28.738 -0.746 0.000 0.915 2175 Q HN 0.676 nan 8.270 nan 0.000 0.440 2176 W N -2.307 118.997 121.300 0.006 0.000 2.284 2176 W HA 0.728 5.388 4.660 0.001 0.000 0.334 2176 W C -0.201 176.304 176.519 -0.024 0.000 0.917 2176 W CA -0.290 57.053 57.345 -0.003 0.000 1.621 2176 W CB 0.186 29.651 29.460 0.007 0.000 1.129 2176 W HN -0.088 nan 8.180 nan 0.000 0.528 2177 A N 0.692 123.544 122.820 0.053 0.000 2.540 2177 A HA 0.610 4.931 4.320 0.001 0.000 0.291 2177 A C -1.283 176.275 177.584 -0.044 0.000 1.083 2177 A CA -1.263 50.791 52.037 0.029 0.000 0.650 2177 A CB 0.881 19.948 19.000 0.112 0.000 1.292 2177 A HN 0.032 nan 8.150 nan 0.000 0.435 2178 K N 0.747 121.103 120.400 -0.073 0.000 2.258 2178 K HA 0.516 4.837 4.320 0.001 0.000 0.284 2178 K C -0.850 175.796 176.600 0.075 0.000 1.051 2178 K CA -0.344 55.931 56.287 -0.019 0.000 0.923 2178 K CB 1.453 33.917 32.500 -0.059 0.000 1.046 2178 K HN 0.383 nan 8.250 nan 0.000 0.474 2179 V N 5.157 125.094 119.914 0.039 0.000 2.439 2179 V HA 0.284 4.404 4.120 0.001 0.000 0.282 2179 V C 0.120 176.240 176.094 0.043 0.000 1.039 2179 V CA -0.714 61.606 62.300 0.034 0.000 0.913 2179 V CB 1.026 32.839 31.823 -0.017 0.000 0.983 2179 V HN 0.591 nan 8.190 nan 0.000 0.460 2180 I N 4.377 124.969 120.570 0.037 0.000 2.530 2180 I HA 0.373 4.543 4.170 0.001 0.000 0.297 2180 I C -0.771 175.376 176.117 0.050 0.000 1.011 2180 I CA -0.861 60.442 61.300 0.006 0.000 1.107 2180 I CB 1.739 39.709 38.000 -0.050 0.000 1.285 2180 I HN 0.663 nan 8.210 nan 0.000 0.436 2181 Y N 4.794 125.082 120.300 -0.020 0.000 2.331 2181 Y HA 0.313 4.863 4.550 0.001 0.000 0.338 2181 Y C 0.010 175.931 175.900 0.034 0.000 0.976 2181 Y CA -0.807 57.292 58.100 -0.001 0.000 1.137 2181 Y CB 0.827 39.329 38.460 0.070 0.000 1.172 2181 Y HN 0.506 nan 8.280 nan 0.000 0.478 2182 D N 5.286 125.241 120.400 -0.741 0.000 2.393 2182 D HA 0.200 4.841 4.640 0.001 0.000 0.232 2182 D C 0.570 176.370 176.300 -0.834 0.000 1.192 2182 D CA 0.339 53.992 54.000 -0.578 0.000 0.882 2182 D CB 1.218 41.657 40.800 -0.601 0.000 1.038 2182 D HN 0.809 nan 8.370 nan 0.000 0.499 2183 A N 3.121 125.671 122.820 -0.451 0.000 2.168 2183 A HA -0.047 4.274 4.320 0.001 0.000 0.215 2183 A C 1.908 179.486 177.584 -0.011 0.000 1.152 2183 A CA 0.916 52.863 52.037 -0.151 0.000 0.716 2183 A CB 0.141 19.258 19.000 0.196 0.000 0.794 2183 A HN 0.547 nan 8.150 nan 0.000 0.465 2184 T N -1.307 113.240 114.554 -0.012 0.000 2.925 2184 T HA 0.028 4.379 4.350 0.001 0.000 0.245 2184 T C 1.558 176.162 174.700 -0.161 0.000 1.025 2184 T CA 1.371 63.437 62.100 -0.057 0.000 1.149 2184 T CB -0.299 68.533 68.868 -0.059 0.000 0.866 2184 T HN 0.672 nan 8.240 nan 0.000 0.437 2185 H N 0.615 119.625 119.070 -0.100 0.000 2.548 2185 H HA 0.294 4.851 4.556 0.001 0.000 0.268 2185 H C 2.242 177.497 175.328 -0.121 0.000 0.975 2185 H CA 0.420 56.396 56.048 -0.120 0.000 1.195 2185 H CB 0.033 29.672 29.762 -0.205 0.000 1.397 2185 H HN 0.153 nan 8.280 nan 0.000 0.572 2186 S N 0.035 115.707 115.700 -0.046 0.000 2.481 2186 S HA -0.065 4.405 4.470 0.001 0.000 0.231 2186 S C 1.894 176.512 174.600 0.030 0.000 0.996 2186 S CA 0.984 59.160 58.200 -0.041 0.000 0.942 2186 S CB 0.035 63.202 63.200 -0.055 0.000 0.768 2186 S HN 0.481 nan 8.310 nan 0.000 0.520 2187 V N -0.117 119.833 119.914 0.059 0.000 3.528 2187 V HA 0.250 4.370 4.120 0.001 0.000 0.294 2187 V C 0.370 176.523 176.094 0.098 0.000 1.404 2187 V CA -0.507 61.860 62.300 0.111 0.000 1.065 2187 V CB -0.649 31.292 31.823 0.197 0.000 0.904 2187 V HN 0.467 nan 8.190 nan 0.000 0.435 2188 Q N 1.476 121.308 119.800 0.054 0.000 2.327 2188 Q HA 0.575 4.915 4.340 0.001 0.000 0.254 2188 Q C -0.683 175.358 176.000 0.069 0.000 0.952 2188 Q CA -0.527 55.308 55.803 0.052 0.000 0.884 2188 Q CB 1.456 30.207 28.738 0.022 0.000 1.224 2188 Q HN 0.519 nan 8.270 nan 0.000 0.422 2189 L N 3.618 124.887 121.223 0.078 0.000 2.268 2189 L HA 0.373 4.714 4.340 0.001 0.000 0.289 2189 L C -2.087 174.835 176.870 0.085 0.000 1.064 2189 L CA -2.212 52.680 54.840 0.087 0.000 0.824 2189 L CB 0.404 42.517 42.059 0.089 0.000 1.202 2189 L HN 0.473 nan 8.230 nan 0.000 0.433 2190 P HA 0.093 nan 4.420 nan 0.000 0.264 2190 P C 0.525 177.883 177.300 0.097 0.000 1.179 2190 P CA 0.616 63.782 63.100 0.111 0.000 0.763 2190 P CB 0.607 32.391 31.700 0.138 0.000 0.806 2199 G N -0.405 108.635 108.800 0.400 0.000 3.024 2199 G HA2 0.238 4.199 3.960 0.001 0.000 0.202 2199 G HA3 0.238 4.199 3.960 0.001 0.000 0.202 2199 G C 1.434 176.359 174.900 0.041 0.000 1.195 2199 G CA 1.508 46.656 45.100 0.081 0.000 0.924 2199 G HN 0.934 nan 8.290 nan 0.000 0.500 2200 M N -1.608 118.130 119.600 0.230 0.000 7.239 2200 M HA -0.486 3.995 4.480 0.001 0.000 0.279 2200 M C 2.209 178.568 176.300 0.097 0.000 0.477 2200 M CA 2.776 58.191 55.300 0.192 0.000 1.300 2200 M CB -0.947 31.712 32.600 0.098 0.000 0.504 2200 M HN 0.384 nan 8.290 nan 0.000 0.390 2201 R N 0.935 121.437 120.500 0.004 0.000 2.113 2201 R HA -0.225 4.115 4.340 0.001 0.000 0.244 2201 R C 1.950 178.209 176.300 -0.067 0.000 1.142 2201 R CA 2.625 58.714 56.100 -0.020 0.000 0.953 2201 R CB -0.479 29.801 30.300 -0.033 0.000 0.860 2201 R HN 0.766 nan 8.270 nan 0.000 0.438 2202 E N -0.722 119.337 120.200 -0.236 0.000 2.331 2202 E HA -0.204 4.146 4.350 0.001 0.000 0.199 2202 E C 0.989 177.391 176.600 -0.330 0.000 1.008 2202 E CA 1.109 57.299 56.400 -0.350 0.000 0.843 2202 E CB -0.213 29.139 29.700 -0.581 0.000 0.761 2202 E HN 0.443 nan 8.360 nan 0.000 0.507 2203 F N 0.553 120.552 119.950 0.083 0.000 2.749 2203 F HA 0.321 4.849 4.527 0.001 0.000 0.300 2203 F C 1.834 177.718 175.800 0.140 0.000 1.103 2203 F CA -0.497 57.560 58.000 0.095 0.000 1.342 2203 F CB -0.050 39.000 39.000 0.082 0.000 1.098 2203 F HN -0.055 nan 8.300 nan 0.000 0.586 2204 I N -0.526 120.206 120.570 0.270 0.000 2.142 2204 I HA -0.350 3.820 4.170 0.001 0.000 0.240 2204 I C 2.536 178.860 176.117 0.344 0.000 1.078 2204 I CA 1.812 63.271 61.300 0.264 0.000 1.343 2204 I CB -0.487 37.612 38.000 0.165 0.000 1.046 2204 I HN 0.151 nan 8.210 nan 0.000 0.405 2205 F N 2.137 122.154 119.950 0.112 0.000 2.084 2205 F HA -0.141 4.386 4.527 0.001 0.000 0.296 2205 F C -0.354 175.501 175.800 0.091 0.000 1.111 2205 F CA 1.154 59.208 58.000 0.089 0.000 1.224 2205 F CB -1.088 37.942 39.000 0.049 0.000 0.991 2205 F HN -0.007 nan 8.300 nan 0.000 0.471 2206 P HA -0.227 nan 4.420 nan 0.000 0.216 2206 P C 1.738 179.056 177.300 0.031 0.000 1.154 2206 P CA 1.698 64.784 63.100 -0.023 0.000 0.865 2206 P CB -0.118 31.624 31.700 0.070 0.000 0.789 2207 L N -1.828 119.498 121.223 0.171 0.000 2.217 2207 L HA -0.083 4.257 4.340 0.001 0.000 0.211 2207 L C 2.370 179.308 176.870 0.114 0.000 1.107 2207 L CA 1.004 55.955 54.840 0.185 0.000 0.783 2207 L CB -0.669 41.615 42.059 0.375 0.000 0.919 2207 L HN -0.028 nan 8.230 nan 0.000 0.442 2208 I N -0.276 120.450 120.570 0.260 0.000 2.226 2208 I HA -0.269 3.901 4.170 0.001 0.000 0.245 2208 I C 2.737 178.915 176.117 0.101 0.000 1.100 2208 I CA 1.174 62.636 61.300 0.270 0.000 1.374 2208 I CB -0.296 37.938 38.000 0.391 0.000 1.057 2208 I HN 0.240 nan 8.210 nan 0.000 0.413 2209 R N 0.819 121.358 120.500 0.065 0.000 2.096 2209 R HA -0.142 4.199 4.340 0.001 0.000 0.235 2209 R C 2.426 178.637 176.300 -0.148 0.000 1.127 2209 R CA 1.520 57.593 56.100 -0.044 0.000 0.968 2209 R CB -0.481 29.723 30.300 -0.159 0.000 0.861 2209 R HN 0.365 nan 8.270 nan 0.000 0.440 2210 A N 1.350 124.008 122.820 -0.269 0.000 1.930 2210 A HA -0.061 4.260 4.320 0.001 0.000 0.217 2210 A C 2.395 179.657 177.584 -0.538 0.000 1.175 2210 A CA 1.517 53.240 52.037 -0.524 0.000 0.627 2210 A CB -0.501 17.950 19.000 -0.916 0.000 0.815 2210 A HN 0.380 nan 8.150 nan 0.000 0.443 2211 A N 0.017 122.611 122.820 -0.376 0.000 1.877 2211 A HA -0.040 4.280 4.320 0.001 0.000 0.216 2211 A C 2.310 179.850 177.584 -0.074 0.000 1.186 2211 A CA 2.321 54.247 52.037 -0.185 0.000 0.620 2211 A CB -1.201 17.558 19.000 -0.401 0.000 0.822 2211 A HN 1.154 nan 8.150 nan 0.000 0.443 2212 V N -2.914 116.988 119.914 -0.021 0.000 2.719 2212 V HA 0.143 4.263 4.120 0.001 0.000 0.252 2212 V C 2.428 178.566 176.094 0.073 0.000 1.065 2212 V CA 1.486 63.816 62.300 0.050 0.000 1.086 2212 V CB -1.166 30.680 31.823 0.039 0.000 0.700 2212 V HN 0.484 nan 8.190 nan 0.000 0.467 2213 A N 0.494 123.310 122.820 -0.007 0.000 1.969 2213 A HA -0.012 4.308 4.320 0.001 0.000 0.218 2213 A C 2.318 179.941 177.584 0.064 0.000 1.169 2213 A CA 1.982 54.042 52.037 0.037 0.000 0.635 2213 A CB -0.654 18.301 19.000 -0.075 0.000 0.810 2213 A HN 0.442 nan 8.150 nan 0.000 0.445 2214 V N -0.934 118.933 119.914 -0.079 0.000 2.323 2214 V HA 0.281 4.401 4.120 0.001 0.000 0.244 2214 V C 1.324 177.264 176.094 -0.257 0.000 1.041 2214 V CA 1.345 63.584 62.300 -0.102 0.000 1.025 2214 V CB -1.134 30.630 31.823 -0.098 0.000 0.656 2214 V HN 1.229 nan 8.190 nan 0.000 0.451 2215 G N -0.052 108.504 108.800 -0.408 0.000 3.393 2215 G HA2 0.087 4.048 3.960 0.001 0.000 0.676 2215 G HA3 0.087 4.048 3.960 0.001 0.000 0.676 2215 G C -0.745 173.924 174.900 -0.385 0.000 1.224 2215 G CA -0.640 43.907 45.100 -0.921 0.000 1.109 2215 G HN 1.011 nan 8.290 nan 0.000 0.519 2216 C N 0.524 119.725 119.300 -0.165 0.000 3.090 2216 C HA 0.846 5.307 4.460 0.001 0.000 0.305 2216 C C 0.569 175.615 174.990 0.093 0.000 1.292 2216 C CA -0.692 58.323 59.018 -0.005 0.000 1.482 2216 C CB 2.077 29.866 27.740 0.082 0.000 1.897 2216 C HN 0.637 nan 8.230 nan 0.000 0.469 2217 D N 0.564 120.971 120.400 0.010 0.000 2.340 2217 D HA 0.371 5.011 4.640 0.001 0.000 0.220 2217 D C 0.822 176.862 176.300 -0.432 0.000 1.039 2217 D CA 1.283 55.257 54.000 -0.044 0.000 0.866 2217 D CB 0.759 41.570 40.800 0.018 0.000 0.913 2217 D HN 1.082 nan 8.370 nan 0.000 0.523 2218 G N -0.535 107.933 108.800 -0.552 0.000 2.466 2218 G HA2 0.405 4.365 3.960 0.001 0.000 0.291 2218 G HA3 0.405 4.365 3.960 0.001 0.000 0.291 2218 G C -1.825 172.853 174.900 -0.371 0.000 1.460 2218 G CA -0.536 43.998 45.100 -0.942 0.000 0.791 2218 G HN -0.047 nan 8.290 nan 0.000 0.505 2219 V N 0.184 119.939 119.914 -0.266 0.000 2.789 2219 V HA 0.708 4.829 4.120 0.001 0.000 0.311 2219 V C -1.353 174.754 176.094 0.021 0.000 1.073 2219 V CA -0.727 61.603 62.300 0.050 0.000 0.921 2219 V CB 1.986 33.948 31.823 0.232 0.000 1.009 2219 V HN 0.824 nan 8.190 nan 0.000 0.426 2220 F N 5.166 125.049 119.950 -0.111 0.000 2.426 2220 F HA 0.815 5.342 4.527 0.001 0.000 0.348 2220 F C -0.392 175.348 175.800 -0.100 0.000 1.124 2220 F CA -0.710 57.210 58.000 -0.134 0.000 1.008 2220 F CB 1.410 40.313 39.000 -0.162 0.000 1.139 2220 F HN 0.389 nan 8.300 nan 0.000 0.452 2221 M N 5.733 125.202 119.600 -0.218 0.000 2.213 2221 M HA 0.278 4.758 4.480 0.001 0.000 0.286 2221 M C -1.109 175.044 176.300 -0.244 0.000 1.008 2221 M CA -0.495 54.742 55.300 -0.105 0.000 0.937 2221 M CB 2.453 35.012 32.600 -0.068 0.000 1.600 2221 M HN 0.526 nan 8.290 nan 0.000 0.450 2222 E N 1.776 121.914 120.200 -0.102 0.000 2.229 2222 E HA 0.348 4.698 4.350 0.001 0.000 0.283 2222 E C -0.544 176.016 176.600 -0.067 0.000 1.030 2222 E CA -0.155 56.179 56.400 -0.110 0.000 0.836 2222 E CB 1.870 31.565 29.700 -0.009 0.000 1.068 2222 E HN 0.431 nan 8.360 nan 0.000 0.401 2223 T N 2.482 116.993 114.554 -0.071 0.000 2.893 2223 T HA 0.257 4.608 4.350 0.001 0.000 0.291 2223 T C -1.545 173.180 174.700 0.042 0.000 1.028 2223 T CA -0.627 61.463 62.100 -0.017 0.000 0.995 2223 T CB 1.151 69.995 68.868 -0.040 0.000 1.051 2223 T HN 0.438 nan 8.240 nan 0.000 0.470 2224 H N 3.610 122.662 119.070 -0.031 0.000 2.954 2224 H HA 0.353 4.909 4.556 0.001 0.000 0.361 2224 H C -2.474 172.850 175.328 -0.008 0.000 1.122 2224 H CA -1.701 54.340 56.048 -0.012 0.000 1.217 2224 H CB 2.681 32.438 29.762 -0.008 0.000 1.776 2224 H HN 0.330 nan 8.280 nan 0.000 0.533 2225 P HA -0.109 nan 4.420 nan 0.000 0.216 2225 P C -0.608 176.811 177.300 0.199 0.000 1.153 2225 P CA 1.529 64.679 63.100 0.083 0.000 0.858 2225 P CB 0.413 32.103 31.700 -0.017 0.000 0.789 2226 E N -2.398 118.068 120.200 0.444 0.000 2.914 2226 E HA 0.150 4.500 4.350 0.001 0.000 0.246 2226 E C -2.195 174.375 176.600 -0.049 0.000 1.146 2226 E CA -1.650 54.855 56.400 0.176 0.000 0.803 2226 E CB 1.157 30.929 29.700 0.120 0.000 1.409 2226 E HN 0.074 nan 8.360 nan 0.000 0.392 2227 P HA -0.311 nan 4.420 nan 0.000 0.217 2227 P C 1.132 178.297 177.300 -0.226 0.000 1.158 2227 P CA 1.598 64.571 63.100 -0.212 0.000 0.887 2227 P CB 0.188 31.845 31.700 -0.071 0.000 0.792 2228 E N 0.334 120.459 120.200 -0.124 0.000 2.171 2228 E HA -0.222 4.128 4.350 0.001 0.000 0.197 2228 E C 1.252 177.785 176.600 -0.111 0.000 0.997 2228 E CA 1.272 57.617 56.400 -0.092 0.000 0.810 2228 E CB -0.805 28.865 29.700 -0.050 0.000 0.738 2228 E HN 0.325 nan 8.360 nan 0.000 0.467 2229 K N 0.569 120.879 120.400 -0.149 0.000 2.374 2229 K HA 0.310 4.630 4.320 0.001 0.000 0.196 2229 K C 0.265 176.743 176.600 -0.203 0.000 1.023 2229 K CA 0.081 56.294 56.287 -0.124 0.000 1.103 2229 K CB 0.820 33.294 32.500 -0.043 0.000 0.848 2229 K HN 0.116 nan 8.250 nan 0.000 0.528 2230 A N 1.093 123.678 122.820 -0.392 0.000 2.445 2230 A HA 0.116 4.437 4.320 0.001 0.000 0.242 2230 A C 0.931 178.426 177.584 -0.148 0.000 1.075 2230 A CA -0.108 51.691 52.037 -0.396 0.000 0.777 2230 A CB 0.155 18.864 19.000 -0.485 0.000 1.013 2230 A HN 0.292 nan 8.150 nan 0.000 0.493 2231 L N 1.015 122.186 121.223 -0.088 0.000 2.558 2231 L HA 0.140 4.481 4.340 0.001 0.000 0.225 2231 L C 0.945 177.874 176.870 0.100 0.000 1.128 2231 L CA 0.646 55.444 54.840 -0.069 0.000 0.868 2231 L CB -0.075 41.754 42.059 -0.384 0.000 1.006 2231 L HN 0.644 nan 8.230 nan 0.000 0.454 2232 S N -0.623 115.135 115.700 0.096 0.000 2.543 2232 S HA 0.249 4.720 4.470 0.001 0.000 0.271 2232 S C -0.924 173.711 174.600 0.057 0.000 1.148 2232 S CA -0.709 57.564 58.200 0.122 0.000 0.914 2232 S CB 0.944 64.265 63.200 0.201 0.000 1.096 2232 S HN 0.293 nan 8.310 nan 0.000 0.471 2233 D N 2.004 122.427 120.400 0.039 0.000 2.686 2233 D HA -0.183 4.457 4.640 0.001 0.000 0.235 2233 D C 0.989 177.268 176.300 -0.035 0.000 1.160 2233 D CA 0.964 54.961 54.000 -0.005 0.000 0.645 2233 D CB -1.216 39.563 40.800 -0.034 0.000 1.039 2233 D HN 0.688 nan 8.370 nan 0.000 0.423 2234 A N -0.013 122.782 122.820 -0.043 0.000 2.121 2234 A HA -0.096 4.225 4.320 0.001 0.000 0.218 2234 A C 2.188 179.734 177.584 -0.063 0.000 1.154 2234 A CA 1.709 53.695 52.037 -0.084 0.000 0.679 2234 A CB -0.041 18.907 19.000 -0.088 0.000 0.795 2234 A HN 0.453 nan 8.150 nan 0.000 0.458 2235 S N -1.543 114.134 115.700 -0.038 0.000 2.503 2235 S HA -0.021 4.449 4.470 0.001 0.000 0.217 2235 S C 1.395 175.980 174.600 -0.025 0.000 0.999 2235 S CA 1.057 59.242 58.200 -0.026 0.000 0.914 2235 S CB -0.427 62.768 63.200 -0.008 0.000 0.782 2235 S HN 0.683 nan 8.310 nan 0.000 0.520 2236 T N -1.767 112.764 114.554 -0.039 0.000 3.040 2236 T HA 0.306 4.656 4.350 0.001 0.000 0.266 2236 T C 0.289 174.958 174.700 -0.053 0.000 1.005 2236 T CA -0.406 61.667 62.100 -0.045 0.000 0.906 2236 T CB -0.144 68.679 68.868 -0.076 0.000 1.082 2236 T HN 0.273 nan 8.240 nan 0.000 0.531 2237 Q N 1.321 121.092 119.800 -0.047 0.000 2.288 2237 Q HA 0.443 4.783 4.340 0.001 0.000 0.258 2237 Q C -0.892 175.103 176.000 -0.008 0.000 0.957 2237 Q CA -0.603 55.185 55.803 -0.026 0.000 0.919 2237 Q CB 1.393 30.130 28.738 -0.002 0.000 1.185 2237 Q HN 0.327 nan 8.270 nan 0.000 0.408 2238 L N 6.198 127.417 121.223 -0.006 0.000 2.416 2238 L HA 0.184 4.525 4.340 0.001 0.000 0.272 2238 L C -2.279 174.596 176.870 0.009 0.000 1.161 2238 L CA -1.248 53.588 54.840 -0.007 0.000 0.845 2238 L CB 0.556 42.601 42.059 -0.023 0.000 1.119 2238 L HN 0.414 nan 8.230 nan 0.000 0.464 2239 P HA 0.024 nan 4.420 nan 0.000 0.267 2239 P C 0.919 178.225 177.300 0.010 0.000 1.209 2239 P CA -0.011 63.102 63.100 0.022 0.000 0.763 2239 P CB 0.636 32.342 31.700 0.010 0.000 0.816 2240 L N 2.815 124.049 121.223 0.019 0.000 2.064 2240 L HA -0.313 4.027 4.340 0.001 0.000 0.216 2240 L C 2.208 179.077 176.870 -0.003 0.000 1.077 2240 L CA 2.585 57.426 54.840 0.001 0.000 0.766 2240 L CB -0.720 41.336 42.059 -0.005 0.000 0.890 2240 L HN 0.463 nan 8.230 nan 0.000 0.435 2241 S N -1.445 114.255 115.700 -0.000 0.000 2.440 2241 S HA -0.280 4.191 4.470 0.001 0.000 0.238 2241 S C 1.701 176.296 174.600 -0.008 0.000 1.010 2241 S CA 1.284 59.484 58.200 -0.002 0.000 0.972 2241 S CB -0.302 62.899 63.200 0.001 0.000 0.774 2241 S HN 0.557 nan 8.310 nan 0.000 0.501 2242 Q N -0.280 119.507 119.800 -0.022 0.000 2.424 2242 Q HA 0.269 4.609 4.340 0.001 0.000 0.204 2242 Q C 1.873 177.829 176.000 -0.074 0.000 0.933 2242 Q CA 0.203 55.975 55.803 -0.052 0.000 0.929 2242 Q CB -0.139 28.558 28.738 -0.067 0.000 1.037 2242 Q HN 0.480 nan 8.270 nan 0.000 0.511 2243 L N 1.470 122.669 121.223 -0.040 0.000 2.042 2243 L HA -0.236 4.105 4.340 0.001 0.000 0.210 2243 L C 2.119 178.986 176.870 -0.004 0.000 1.076 2243 L CA 2.008 56.831 54.840 -0.029 0.000 0.749 2243 L CB -0.463 41.602 42.059 0.010 0.000 0.893 2243 L HN 0.232 nan 8.230 nan 0.000 0.432 2244 E N -0.982 119.247 120.200 0.048 0.000 2.038 2244 E HA -0.219 4.132 4.350 0.001 0.000 0.195 2244 E C 2.101 178.749 176.600 0.080 0.000 1.000 2244 E CA 1.335 57.815 56.400 0.133 0.000 0.803 2244 E CB -0.577 29.210 29.700 0.146 0.000 0.750 2244 E HN 0.593 nan 8.360 nan 0.000 0.448 2245 G N 1.204 110.011 108.800 0.011 0.000 2.440 2245 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 2245 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 2245 G C 1.625 176.454 174.900 -0.118 0.000 1.154 2245 G CA 1.013 46.099 45.100 -0.022 0.000 0.767 2245 G HN 0.290 nan 8.290 nan 0.000 0.552 2246 I N 0.381 120.793 120.570 -0.264 0.000 2.315 2246 I HA -0.112 4.058 4.170 0.001 0.000 0.248 2246 I C 2.656 178.659 176.117 -0.191 0.000 1.117 2246 I CA 0.658 61.707 61.300 -0.418 0.000 1.404 2246 I CB -0.148 37.547 38.000 -0.508 0.000 1.071 2246 I HN 0.175 nan 8.210 nan 0.000 0.419 2247 I N 0.478 120.941 120.570 -0.179 0.000 2.142 2247 I HA -0.290 3.881 4.170 0.001 0.000 0.240 2247 I C 2.648 178.569 176.117 -0.327 0.000 1.078 2247 I CA 1.343 62.475 61.300 -0.281 0.000 1.343 2247 I CB -0.343 37.404 38.000 -0.422 0.000 1.046 2247 I HN 0.207 nan 8.210 nan 0.000 0.405 2248 E N 1.610 121.678 120.200 -0.221 0.000 2.070 2248 E HA -0.247 4.104 4.350 0.001 0.000 0.197 2248 E C 2.053 178.648 176.600 -0.007 0.000 1.004 2248 E CA 2.022 58.404 56.400 -0.030 0.000 0.805 2248 E CB -0.273 29.530 29.700 0.173 0.000 0.744 2248 E HN 0.426 nan 8.360 nan 0.000 0.451 2249 A N 1.039 123.875 122.820 0.027 0.000 1.902 2249 A HA -0.128 4.193 4.320 0.001 0.000 0.217 2249 A C 2.392 180.013 177.584 0.062 0.000 1.181 2249 A CA 1.772 53.874 52.037 0.110 0.000 0.623 2249 A CB -0.997 18.196 19.000 0.321 0.000 0.818 2249 A HN 0.540 nan 8.150 nan 0.000 0.443 2250 I N -3.172 117.401 120.570 0.005 0.000 2.676 2250 I HA -0.058 4.113 4.170 0.001 0.000 0.259 2250 I C 1.999 177.998 176.117 -0.197 0.000 1.194 2250 I CA 0.919 62.184 61.300 -0.059 0.000 1.473 2250 I CB -0.355 37.616 38.000 -0.047 0.000 1.096 2250 I HN 0.180 nan 8.210 nan 0.000 0.443 2251 L N 1.139 122.236 121.223 -0.210 0.000 2.072 2251 L HA -0.089 4.252 4.340 0.001 0.000 0.205 2251 L C 2.672 179.474 176.870 -0.114 0.000 1.079 2251 L CA 1.410 56.118 54.840 -0.221 0.000 0.752 2251 L CB -0.452 41.511 42.059 -0.160 0.000 0.906 2251 L HN 0.249 nan 8.230 nan 0.000 0.436 2252 E N 0.376 120.544 120.200 -0.053 0.000 2.051 2252 E HA -0.213 4.137 4.350 0.001 0.000 0.192 2252 E C 2.255 178.836 176.600 -0.032 0.000 0.991 2252 E CA 1.256 57.643 56.400 -0.021 0.000 0.799 2252 E CB -0.092 29.615 29.700 0.011 0.000 0.748 2252 E HN 0.437 nan 8.360 nan 0.000 0.449 2253 I N 0.843 121.395 120.570 -0.030 0.000 2.226 2253 I HA -0.289 3.882 4.170 0.001 0.000 0.245 2253 I C 2.741 178.841 176.117 -0.029 0.000 1.100 2253 I CA 1.099 62.385 61.300 -0.023 0.000 1.374 2253 I CB -0.254 37.737 38.000 -0.015 0.000 1.057 2253 I HN 0.041 nan 8.210 nan 0.000 0.413 2254 R N 1.033 121.494 120.500 -0.064 0.000 2.083 2254 R HA -0.240 4.100 4.340 0.001 0.000 0.237 2254 R C 2.391 178.631 176.300 -0.101 0.000 1.137 2254 R CA 1.742 57.807 56.100 -0.059 0.000 0.951 2254 R CB -0.291 29.890 30.300 -0.198 0.000 0.851 2254 R HN 0.249 nan 8.270 nan 0.000 0.434 2255 E N 0.221 120.363 120.200 -0.096 0.000 2.070 2255 E HA -0.178 4.172 4.350 0.001 0.000 0.197 2255 E C 1.880 178.419 176.600 -0.103 0.000 1.004 2255 E CA 1.904 58.249 56.400 -0.091 0.000 0.805 2255 E CB -0.077 29.590 29.700 -0.056 0.000 0.744 2255 E HN 0.297 nan 8.360 nan 0.000 0.451 2256 V N 0.896 120.770 119.914 -0.066 0.000 2.379 2256 V HA -0.161 3.959 4.120 0.001 0.000 0.245 2256 V C 2.529 178.607 176.094 -0.026 0.000 1.044 2256 V CA 1.640 63.918 62.300 -0.037 0.000 1.036 2256 V CB -0.759 31.066 31.823 0.004 0.000 0.664 2256 V HN 0.336 nan 8.190 nan 0.000 0.453 2257 A N 0.850 123.653 122.820 -0.030 0.000 1.930 2257 A HA -0.172 4.149 4.320 0.001 0.000 0.217 2257 A C 2.519 179.885 177.584 -0.364 0.000 1.175 2257 A CA 1.867 53.913 52.037 0.015 0.000 0.627 2257 A CB -0.781 18.292 19.000 0.121 0.000 0.815 2257 A HN 0.675 nan 8.150 nan 0.000 0.443 2258 S N 0.494 115.737 115.700 -0.761 0.000 2.423 2258 S HA -0.300 4.171 4.470 0.001 0.000 0.238 2258 S C 1.834 175.960 174.600 -0.789 0.000 1.028 2258 S CA 1.802 59.164 58.200 -1.395 0.000 1.000 2258 S CB -0.516 62.278 63.200 -0.678 0.000 0.797 2258 S HN 0.676 nan 8.310 nan 0.000 0.487 2259 K N 0.338 120.418 120.400 -0.533 0.000 2.281 2259 K HA -0.130 4.191 4.320 0.001 0.000 0.203 2259 K C 0.794 177.008 176.600 -0.643 0.000 1.046 2259 K CA 1.409 57.345 56.287 -0.585 0.000 0.938 2259 K CB -0.223 31.831 32.500 -0.744 0.000 0.737 2259 K HN 0.660 nan 8.250 nan 0.000 0.458 2260 Y N -0.976 119.216 120.300 -0.180 0.000 2.467 2260 Y HA 0.159 4.710 4.550 0.001 0.000 0.250 2260 Y C -0.328 175.630 175.900 0.098 0.000 1.155 2260 Y CA -1.028 57.050 58.100 -0.036 0.000 1.249 2260 Y CB 0.242 38.696 38.460 -0.011 0.000 1.146 2260 Y HN -0.145 nan 8.280 nan 0.000 0.524 2261 Y N 2.389 122.742 120.300 0.088 0.000 2.721 2261 Y HA 0.055 4.606 4.550 0.001 0.000 0.329 2261 Y C 0.730 176.654 175.900 0.039 0.000 1.211 2261 Y CA -0.902 57.231 58.100 0.056 0.000 1.512 2261 Y CB -0.185 38.296 38.460 0.036 0.000 1.249 2261 Y HN 0.155 nan 8.280 nan 0.000 0.549 2262 E N 0.680 120.993 120.200 0.188 0.000 2.390 2262 E HA 0.167 4.517 4.350 0.001 0.000 0.261 2262 E C -0.123 176.523 176.600 0.076 0.000 1.076 2262 E CA -0.128 56.334 56.400 0.103 0.000 0.905 2262 E CB 0.309 30.048 29.700 0.065 0.000 0.984 2262 E HN 0.424 nan 8.360 nan 0.000 0.427 2263 T N 2.690 117.274 114.554 0.050 0.000 2.814 2263 T HA 0.156 4.507 4.350 0.001 0.000 0.297 2263 T C 0.976 175.681 174.700 0.009 0.000 0.956 2263 T CA -0.458 61.662 62.100 0.032 0.000 1.123 2263 T CB 0.170 69.053 68.868 0.025 0.000 0.902 2263 T HN 0.421 nan 8.240 nan 0.000 0.528 2264 I N 0.000 120.567 120.570 -0.005 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.279 61.300 -0.036 0.000 1.566 2264 I CB 0.000 37.976 38.000 -0.040 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494