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 3e0i_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX XXXXXXGMRE 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 0.000 176.690 176.600 0.150 0.000 0.988 2003 K CA 0.000 56.361 56.287 0.123 0.000 0.838 2003 K CB 0.000 32.559 32.500 0.098 0.000 1.064 2004 F N 3.102 123.056 119.950 0.006 0.000 2.572 2004 F HA 0.149 4.676 4.527 0.001 0.000 0.370 2004 F C -0.148 175.604 175.800 -0.081 0.000 1.103 2004 F CA -0.014 57.974 58.000 -0.020 0.000 1.286 2004 F CB 0.448 39.428 39.000 -0.034 0.000 1.105 2004 F HN 0.252 nan 8.300 nan 0.000 0.583 2005 L N 6.448 127.312 121.223 -0.599 0.000 2.307 2005 L HA 0.490 4.831 4.340 0.001 0.000 0.282 2005 L C -0.854 175.653 176.870 -0.606 0.000 1.051 2005 L CA -0.902 53.648 54.840 -0.483 0.000 0.804 2005 L CB 1.515 43.341 42.059 -0.389 0.000 1.197 2005 L HN 0.293 nan 8.230 nan 0.000 0.431 2006 V N 4.915 124.542 119.914 -0.478 0.000 2.376 2006 V HA 0.399 4.519 4.120 0.001 0.000 0.287 2006 V C -0.021 175.915 176.094 -0.264 0.000 1.015 2006 V CA -0.325 61.738 62.300 -0.395 0.000 0.834 2006 V CB 1.731 33.242 31.823 -0.519 0.000 1.001 2006 V HN 0.502 nan 8.190 nan 0.000 0.428 2007 I N 4.638 125.071 120.570 -0.229 0.000 2.315 2007 I HA 0.783 4.954 4.170 0.001 0.000 0.291 2007 I C 0.356 176.237 176.117 -0.392 0.000 1.006 2007 I CA -0.022 61.123 61.300 -0.258 0.000 1.265 2007 I CB 1.404 39.266 38.000 -0.229 0.000 1.387 2007 I HN 0.706 nan 8.210 nan 0.000 0.475 2008 A N 4.626 127.238 122.820 -0.348 0.000 2.594 2008 A HA 0.991 5.312 4.320 0.001 0.000 0.295 2008 A C -0.444 176.825 177.584 -0.526 0.000 1.071 2008 A CA -0.261 51.543 52.037 -0.388 0.000 0.685 2008 A CB 1.963 20.869 19.000 -0.156 0.000 1.285 2008 A HN 0.921 nan 8.150 nan 0.000 0.405 2009 G N 0.169 108.647 108.800 -0.537 0.000 2.336 2009 G HA2 0.532 4.493 3.960 0.001 0.000 0.300 2009 G HA3 0.532 4.493 3.960 0.001 0.000 0.300 2009 G C -3.606 171.055 174.900 -0.399 0.000 1.375 2009 G CA -0.312 44.366 45.100 -0.704 0.000 0.885 2009 G HN 0.705 nan 8.290 nan 0.000 0.599 2010 P HA 0.250 nan 4.420 nan 0.000 0.279 2010 P C 1.325 178.609 177.300 -0.028 0.000 1.239 2010 P CA -0.111 62.948 63.100 -0.068 0.000 0.789 2010 P CB 1.682 33.385 31.700 0.005 0.000 0.933 2011 C N 3.255 122.577 119.300 0.037 0.000 2.376 2011 C HA -0.034 4.426 4.460 0.001 0.000 0.275 2011 C C 1.264 176.325 174.990 0.118 0.000 1.200 2011 C CA 1.780 60.849 59.018 0.085 0.000 1.756 2011 C CB -1.375 26.434 27.740 0.116 0.000 2.050 2011 C HN 0.701 nan 8.230 nan 0.000 0.460 2012 A N -0.703 122.215 122.820 0.164 0.000 2.380 2012 A HA 0.706 5.027 4.320 0.001 0.000 0.315 2012 A C -0.375 177.376 177.584 0.278 0.000 1.101 2012 A CA -0.596 51.583 52.037 0.236 0.000 0.771 2012 A CB 0.507 19.721 19.000 0.356 0.000 1.287 2012 A HN 0.423 nan 8.150 nan 0.000 0.436 2013 I N 2.484 123.258 120.570 0.340 0.000 2.352 2013 I HA 0.015 4.186 4.170 0.001 0.000 0.303 2013 I C 0.966 177.375 176.117 0.486 0.000 1.194 2013 I CA 0.275 61.815 61.300 0.400 0.000 1.518 2013 I CB -0.251 38.020 38.000 0.452 0.000 1.489 2013 I HN 0.854 nan 8.210 nan 0.000 0.702 2014 E N 2.724 123.124 120.200 0.334 0.000 2.106 2014 E HA -0.097 4.254 4.350 0.001 0.000 0.192 2014 E C 0.543 177.363 176.600 0.367 0.000 0.984 2014 E CA 0.826 57.357 56.400 0.218 0.000 0.806 2014 E CB 0.160 29.872 29.700 0.021 0.000 0.750 2014 E HN 0.717 nan 8.360 nan 0.000 0.458 2015 S N -1.488 114.404 115.700 0.319 0.000 2.578 2015 S HA 0.131 4.602 4.470 0.001 0.000 0.272 2015 S C 0.239 175.019 174.600 0.299 0.000 1.145 2015 S CA -0.882 57.495 58.200 0.297 0.000 0.835 2015 S CB 1.705 65.001 63.200 0.160 0.000 1.104 2015 S HN 0.084 nan 8.310 nan 0.000 0.458 2016 E N 0.786 121.168 120.200 0.304 0.000 2.118 2016 E HA -0.224 4.127 4.350 0.001 0.000 0.195 2016 E C 1.624 178.282 176.600 0.097 0.000 0.992 2016 E CA 1.617 58.094 56.400 0.128 0.000 0.804 2016 E CB -0.166 29.525 29.700 -0.015 0.000 0.741 2016 E HN 0.762 nan 8.360 nan 0.000 0.458 2017 E N 0.163 120.420 120.200 0.095 0.000 2.070 2017 E HA -0.250 4.101 4.350 0.001 0.000 0.197 2017 E C 2.213 178.848 176.600 0.060 0.000 1.004 2017 E CA 1.332 57.771 56.400 0.064 0.000 0.805 2017 E CB -0.174 29.559 29.700 0.054 0.000 0.744 2017 E HN 0.279 nan 8.360 nan 0.000 0.451 2018 L N 1.037 122.299 121.223 0.065 0.000 2.012 2018 L HA -0.198 4.142 4.340 0.001 0.000 0.210 2018 L C 2.212 179.125 176.870 0.071 0.000 1.073 2018 L CA 1.658 56.514 54.840 0.026 0.000 0.748 2018 L CB -0.473 41.594 42.059 0.013 0.000 0.891 2018 L HN 0.259 nan 8.230 nan 0.000 0.431 2019 L N -1.220 120.089 121.223 0.143 0.000 2.083 2019 L HA -0.244 4.097 4.340 0.001 0.000 0.209 2019 L C 2.569 179.500 176.870 0.102 0.000 1.083 2019 L CA 1.419 56.387 54.840 0.214 0.000 0.752 2019 L CB -0.724 41.442 42.059 0.178 0.000 0.899 2019 L HN 0.360 nan 8.230 nan 0.000 0.433 2020 L N -0.141 121.137 121.223 0.092 0.000 2.093 2020 L HA -0.210 4.130 4.340 0.001 0.000 0.208 2020 L C 2.682 179.611 176.870 0.097 0.000 1.085 2020 L CA 1.202 56.137 54.840 0.159 0.000 0.755 2020 L CB -0.491 41.649 42.059 0.136 0.000 0.904 2020 L HN 0.265 nan 8.230 nan 0.000 0.435 2021 K N 0.241 120.667 120.400 0.044 0.000 2.057 2021 K HA -0.134 4.186 4.320 0.001 0.000 0.206 2021 K C 1.966 178.538 176.600 -0.047 0.000 1.050 2021 K CA 1.286 57.571 56.287 -0.005 0.000 0.935 2021 K CB 0.084 32.572 32.500 -0.020 0.000 0.715 2021 K HN 0.058 nan 8.250 nan 0.000 0.439 2022 V N 0.433 120.345 119.914 -0.003 0.000 2.453 2022 V HA -0.093 4.027 4.120 0.001 0.000 0.247 2022 V C 2.353 178.453 176.094 0.010 0.000 1.048 2022 V CA 1.933 64.246 62.300 0.023 0.000 1.049 2022 V CB -0.619 31.255 31.823 0.085 0.000 0.672 2022 V HN 0.593 nan 8.190 nan 0.000 0.457 2023 G N -0.391 108.378 108.800 -0.051 0.000 2.432 2023 G HA2 -0.299 3.662 3.960 0.001 0.000 0.219 2023 G HA3 -0.299 3.662 3.960 0.001 0.000 0.219 2023 G C 1.493 175.727 174.900 -1.110 0.000 1.135 2023 G CA 0.986 45.800 45.100 -0.477 0.000 0.767 2023 G HN 0.589 nan 8.290 nan 0.000 0.550 2024 E N 0.161 119.806 120.200 -0.924 0.000 2.085 2024 E HA -0.197 4.153 4.350 0.001 0.000 0.194 2024 E C 2.268 178.616 176.600 -0.421 0.000 0.994 2024 E CA 1.480 57.450 56.400 -0.717 0.000 0.801 2024 E CB -0.109 29.466 29.700 -0.209 0.000 0.743 2024 E HN 0.428 nan 8.360 nan 0.000 0.453 2025 E N 0.611 120.641 120.200 -0.283 0.000 2.072 2025 E HA -0.102 4.249 4.350 0.001 0.000 0.190 2025 E C 1.924 178.384 176.600 -0.233 0.000 0.982 2025 E CA 1.120 57.405 56.400 -0.193 0.000 0.803 2025 E CB -0.223 29.406 29.700 -0.119 0.000 0.755 2025 E HN 0.405 nan 8.360 nan 0.000 0.453 2026 I N 0.345 120.769 120.570 -0.243 0.000 2.394 2026 I HA -0.212 3.959 4.170 0.001 0.000 0.251 2026 I C 2.202 178.074 176.117 -0.409 0.000 1.136 2026 I CA 1.009 62.139 61.300 -0.284 0.000 1.425 2026 I CB -0.201 37.758 38.000 -0.068 0.000 1.079 2026 I HN 0.075 nan 8.210 nan 0.000 0.425 2027 K N 1.543 121.711 120.400 -0.386 0.000 2.057 2027 K HA -0.198 4.123 4.320 0.001 0.000 0.207 2027 K C 2.213 178.670 176.600 -0.239 0.000 1.049 2027 K CA 1.504 57.616 56.287 -0.290 0.000 0.931 2027 K CB -0.297 32.032 32.500 -0.285 0.000 0.714 2027 K HN 0.070 nan 8.250 nan 0.000 0.440 2028 R N -0.234 120.126 120.500 -0.232 0.000 2.083 2028 R HA -0.128 4.213 4.340 0.001 0.000 0.237 2028 R C 1.882 178.057 176.300 -0.210 0.000 1.137 2028 R CA 1.666 57.660 56.100 -0.176 0.000 0.951 2028 R CB -0.353 29.861 30.300 -0.144 0.000 0.851 2028 R HN 0.163 nan 8.270 nan 0.000 0.434 2029 L N 0.968 122.030 121.223 -0.267 0.000 2.131 2029 L HA -0.126 4.215 4.340 0.001 0.000 0.210 2029 L C 2.563 179.243 176.870 -0.317 0.000 1.092 2029 L CA 2.059 56.760 54.840 -0.231 0.000 0.759 2029 L CB -1.028 40.921 42.059 -0.182 0.000 0.903 2029 L HN 0.349 nan 8.230 nan 0.000 0.435 2030 S N -1.482 113.857 115.700 -0.601 0.000 2.423 2030 S HA -0.135 4.335 4.470 0.001 0.000 0.231 2030 S C 1.701 176.297 174.600 -0.006 0.000 1.014 2030 S CA 0.822 58.859 58.200 -0.273 0.000 0.965 2030 S CB -0.222 62.866 63.200 -0.188 0.000 0.785 2030 S HN 0.422 nan 8.310 nan 0.000 0.495 2031 E N 1.483 121.630 120.200 -0.088 0.000 2.158 2031 E HA 0.045 4.396 4.350 0.001 0.000 0.191 2031 E C 1.913 178.459 176.600 -0.090 0.000 0.982 2031 E CA 0.776 57.142 56.400 -0.056 0.000 0.823 2031 E CB -0.204 29.455 29.700 -0.068 0.000 0.766 2031 E HN 0.741 nan 8.360 nan 0.000 0.468 2032 K N -0.283 120.000 120.400 -0.194 0.000 2.137 2032 K HA 0.012 4.332 4.320 0.001 0.000 0.202 2032 K C 0.168 176.515 176.600 -0.422 0.000 1.052 2032 K CA 0.499 56.544 56.287 -0.402 0.000 0.961 2032 K CB 0.180 32.279 32.500 -0.669 0.000 0.741 2032 K HN -0.070 nan 8.250 nan 0.000 0.452 2033 F N 1.664 121.689 119.950 0.125 0.000 2.334 2033 F HA 0.295 4.823 4.527 0.001 0.000 0.343 2033 F C 0.611 176.535 175.800 0.207 0.000 1.136 2033 F CA -0.882 57.233 58.000 0.192 0.000 1.237 2033 F CB 1.222 40.410 39.000 0.313 0.000 1.525 2033 F HN -0.209 nan 8.300 nan 0.000 0.528 2034 K N 1.170 121.720 120.400 0.249 0.000 2.439 2034 K HA -0.118 4.203 4.320 0.001 0.000 0.197 2034 K C 1.329 178.043 176.600 0.190 0.000 1.041 2034 K CA 0.658 57.063 56.287 0.197 0.000 0.970 2034 K CB 0.000 32.571 32.500 0.117 0.000 0.773 2034 K HN 0.682 nan 8.250 nan 0.000 0.479 2035 E N 0.497 120.819 120.200 0.203 0.000 2.516 2035 E HA -0.010 4.341 4.350 0.001 0.000 0.199 2035 E C 0.130 176.821 176.600 0.153 0.000 1.069 2035 E CA 0.235 56.728 56.400 0.156 0.000 0.876 2035 E CB 0.060 29.838 29.700 0.129 0.000 0.843 2035 E HN -0.156 nan 8.360 nan 0.000 0.530 2036 V N 1.370 121.392 119.914 0.180 0.000 2.680 2036 V HA 0.199 4.320 4.120 0.001 0.000 0.309 2036 V C -0.569 175.544 176.094 0.032 0.000 1.052 2036 V CA -1.058 61.270 62.300 0.047 0.000 0.908 2036 V CB 1.843 33.568 31.823 -0.163 0.000 1.001 2036 V HN 0.092 nan 8.190 nan 0.000 0.431 2037 E N 3.069 123.233 120.200 -0.059 0.000 2.081 2037 E HA 0.443 4.794 4.350 0.001 0.000 0.281 2037 E C -1.322 175.195 176.600 -0.137 0.000 0.986 2037 E CA -0.211 56.184 56.400 -0.008 0.000 0.796 2037 E CB 0.542 30.250 29.700 0.012 0.000 1.085 2037 E HN 0.413 nan 8.360 nan 0.000 0.398 2038 F N 3.478 123.458 119.950 0.051 0.000 2.396 2038 F HA 0.374 4.901 4.527 0.001 0.000 0.343 2038 F C -0.149 175.667 175.800 0.026 0.000 1.104 2038 F CA -0.577 57.442 58.000 0.031 0.000 1.161 2038 F CB 1.278 40.312 39.000 0.056 0.000 1.146 2038 F HN 0.177 nan 8.300 nan 0.000 0.522 2039 V N 4.639 124.637 119.914 0.140 0.000 2.531 2039 V HA 0.231 4.352 4.120 0.001 0.000 0.301 2039 V C -0.696 175.465 176.094 0.112 0.000 1.034 2039 V CA -1.066 61.297 62.300 0.105 0.000 0.865 2039 V CB 1.610 33.431 31.823 -0.004 0.000 0.995 2039 V HN 0.537 nan 8.190 nan 0.000 0.424 2040 F N 5.686 125.653 119.950 0.027 0.000 2.472 2040 F HA 0.437 4.965 4.527 0.001 0.000 0.364 2040 F C 0.388 176.178 175.800 -0.017 0.000 1.090 2040 F CA 0.188 58.188 58.000 0.000 0.000 1.188 2040 F CB 0.448 39.461 39.000 0.021 0.000 1.105 2040 F HN 0.375 nan 8.300 nan 0.000 0.536 2041 K N 5.014 125.066 120.400 -0.579 0.000 2.221 2041 K HA 0.544 4.865 4.320 0.001 0.000 0.258 2041 K C -1.490 174.862 176.600 -0.413 0.000 0.944 2041 K CA -0.347 55.730 56.287 -0.350 0.000 0.823 2041 K CB 1.731 34.014 32.500 -0.363 0.000 1.113 2041 K HN 0.694 nan 8.250 nan 0.000 0.431 2042 S N 1.488 117.155 115.700 -0.054 0.000 2.542 2042 S HA 0.309 4.780 4.470 0.001 0.000 0.276 2042 S C -1.567 173.110 174.600 0.129 0.000 1.148 2042 S CA -0.537 57.685 58.200 0.038 0.000 0.886 2042 S CB 1.271 64.565 63.200 0.157 0.000 1.109 2042 S HN 0.516 nan 8.310 nan 0.000 0.458 2043 S N 3.314 119.076 115.700 0.103 0.000 2.499 2043 S HA 0.299 4.770 4.470 0.001 0.000 0.275 2043 S C 0.888 175.539 174.600 0.085 0.000 1.257 2043 S CA -0.494 57.727 58.200 0.035 0.000 1.050 2043 S CB 0.080 63.274 63.200 -0.010 0.000 0.937 2043 S HN 0.669 nan 8.310 nan 0.000 0.490 2044 F N 0.832 120.882 119.950 0.166 0.000 2.558 2044 F HA 0.377 4.904 4.527 0.001 0.000 0.298 2044 F C 0.432 176.288 175.800 0.093 0.000 1.119 2044 F CA -0.202 57.897 58.000 0.165 0.000 1.451 2044 F CB 0.020 39.117 39.000 0.162 0.000 1.091 2044 F HN 0.398 nan 8.300 nan 0.000 0.563 2045 D N 0.539 120.656 120.400 -0.471 0.000 2.970 2045 D HA 0.223 4.864 4.640 0.001 0.000 0.230 2045 D C -1.373 174.686 176.300 -0.401 0.000 1.276 2045 D CA -0.675 53.104 54.000 -0.368 0.000 0.910 2045 D CB 1.343 41.919 40.800 -0.374 0.000 1.590 2045 D HN -0.159 nan 8.370 nan 0.000 0.551 2046 K N 2.921 123.140 120.400 -0.301 0.000 2.206 2046 K HA 0.478 4.798 4.320 0.001 0.000 0.268 2046 K C 0.401 176.827 176.600 -0.291 0.000 1.111 2046 K CA -0.313 55.834 56.287 -0.234 0.000 0.955 2046 K CB 0.870 33.307 32.500 -0.105 0.000 1.406 2046 K HN 0.439 nan 8.250 nan 0.000 0.427 2047 A N 2.708 125.260 122.820 -0.448 0.000 2.208 2047 A HA -0.070 4.251 4.320 0.001 0.000 0.209 2047 A C 1.048 178.530 177.584 -0.170 0.000 1.161 2047 A CA 0.602 52.394 52.037 -0.408 0.000 0.782 2047 A CB -0.519 18.032 19.000 -0.748 0.000 0.816 2047 A HN 0.819 nan 8.150 nan 0.000 0.477 2048 N N -1.502 117.138 118.700 -0.099 0.000 2.299 2048 N HA 0.113 4.853 4.740 0.001 0.000 0.246 2048 N C -0.250 175.291 175.510 0.051 0.000 1.254 2048 N CA -0.709 52.364 53.050 0.038 0.000 0.879 2048 N CB 0.470 39.049 38.487 0.153 0.000 1.214 2048 N HN -0.048 nan 8.380 nan 0.000 0.510 2049 R N 0.563 121.058 120.500 -0.007 0.000 2.756 2049 R HA -0.002 4.338 4.340 0.001 0.000 0.264 2049 R C 1.099 177.415 176.300 0.027 0.000 1.026 2049 R CA 0.066 56.173 56.100 0.011 0.000 1.121 2049 R CB 0.935 31.231 30.300 -0.007 0.000 0.999 2049 R HN 0.189 nan 8.270 nan 0.000 0.449 2050 S N 0.757 116.481 115.700 0.040 0.000 2.348 2050 S HA -0.116 4.355 4.470 0.001 0.000 0.221 2050 S C 0.923 175.525 174.600 0.003 0.000 1.033 2050 S CA 1.414 59.633 58.200 0.031 0.000 1.010 2050 S CB 0.105 63.328 63.200 0.039 0.000 0.891 2050 S HN 0.613 nan 8.310 nan 0.000 0.442 2051 S N -0.212 115.490 115.700 0.004 0.000 2.541 2051 S HA 0.381 4.852 4.470 0.001 0.000 0.283 2051 S C 0.708 175.264 174.600 -0.073 0.000 1.196 2051 S CA -0.647 57.541 58.200 -0.019 0.000 1.062 2051 S CB 1.063 64.283 63.200 0.034 0.000 1.009 2051 S HN 0.346 nan 8.310 nan 0.000 0.502 2052 I N 4.239 124.702 120.570 -0.179 0.000 2.567 2052 I HA -0.080 4.091 4.170 0.001 0.000 0.257 2052 I C 1.379 177.323 176.117 -0.287 0.000 1.184 2052 I CA 1.861 63.000 61.300 -0.268 0.000 1.451 2052 I CB -0.314 37.463 38.000 -0.372 0.000 1.089 2052 I HN 0.842 nan 8.210 nan 0.000 0.441 2053 H N -1.385 117.689 119.070 0.006 0.000 2.539 2053 H HA 0.276 4.833 4.556 0.002 0.000 0.267 2053 H C 1.169 176.513 175.328 0.028 0.000 0.982 2053 H CA -0.005 56.051 56.048 0.014 0.000 1.146 2053 H CB 0.107 29.879 29.762 0.016 0.000 1.382 2053 H HN 0.175 nan 8.280 nan 0.000 0.577 2054 S N 0.447 116.205 115.700 0.096 0.000 2.614 2054 S HA 0.067 4.538 4.470 0.001 0.000 0.265 2054 S C -0.235 174.425 174.600 0.100 0.000 1.303 2054 S CA -0.740 57.521 58.200 0.102 0.000 1.000 2054 S CB 0.597 63.841 63.200 0.074 0.000 0.935 2054 S HN 0.235 nan 8.310 nan 0.000 0.551 2055 F N 1.804 121.747 119.950 -0.011 0.000 2.543 2055 F HA 0.206 4.734 4.527 0.001 0.000 0.375 2055 F C 1.285 177.051 175.800 -0.056 0.000 1.075 2055 F CA 0.131 58.107 58.000 -0.039 0.000 1.225 2055 F CB 0.401 39.378 39.000 -0.039 0.000 1.099 2055 F HN 0.546 nan 8.300 nan 0.000 0.561 2056 R N 3.268 123.297 120.500 -0.785 0.000 2.121 2056 R HA 0.470 4.810 4.340 0.001 0.000 0.206 2056 R C 0.632 176.327 176.300 -1.008 0.000 1.094 2056 R CA 0.245 55.938 56.100 -0.678 0.000 1.055 2056 R CB 0.093 30.155 30.300 -0.396 0.000 0.964 2056 R HN 0.903 nan 8.270 nan 0.000 0.473 2057 G N -0.784 107.120 108.800 -1.494 0.000 2.340 2057 G HA2 -0.089 3.872 3.960 0.001 0.000 0.282 2057 G HA3 -0.089 3.872 3.960 0.001 0.000 0.282 2057 G C -1.034 173.493 174.900 -0.622 0.000 1.312 2057 G CA -0.800 43.686 45.100 -1.024 0.000 0.942 2057 G HN 0.344 nan 8.290 nan 0.000 0.495 2058 H N 0.149 119.187 119.070 -0.054 0.000 2.542 2058 H HA 0.502 5.059 4.556 0.001 0.000 0.283 2058 H C 1.114 176.467 175.328 0.042 0.000 1.059 2058 H CA 0.951 56.942 56.048 -0.095 0.000 1.162 2058 H CB 0.812 30.307 29.762 -0.445 0.000 1.539 2058 H HN 1.729 nan 8.280 nan 0.000 0.543 2059 G N 0.186 109.111 108.800 0.207 0.000 2.619 2059 G HA2 -0.230 3.731 3.960 0.001 0.000 0.686 2059 G HA3 -0.230 3.731 3.960 0.001 0.000 0.686 2059 G C 0.285 175.355 174.900 0.283 0.000 1.256 2059 G CA -0.267 44.979 45.100 0.243 0.000 0.826 2059 G HN 0.271 nan 8.290 nan 0.000 0.619 2060 L N 0.126 121.440 121.223 0.151 0.000 2.046 2060 L HA 0.025 4.365 4.340 0.001 0.000 0.208 2060 L C 2.733 179.528 176.870 -0.124 0.000 1.077 2060 L CA 2.540 57.212 54.840 -0.281 0.000 0.747 2060 L CB -0.250 41.569 42.059 -0.400 0.000 0.896 2060 L HN 0.841 nan 8.230 nan 0.000 0.432 2061 E N -1.137 119.086 120.200 0.037 0.000 2.047 2061 E HA -0.291 4.059 4.350 0.001 0.000 0.191 2061 E C 1.982 178.639 176.600 0.093 0.000 0.987 2061 E CA 1.688 58.117 56.400 0.049 0.000 0.799 2061 E CB -0.296 29.451 29.700 0.079 0.000 0.752 2061 E HN 0.578 nan 8.360 nan 0.000 0.449 2062 Y N 0.916 121.252 120.300 0.061 0.000 2.165 2062 Y HA -0.193 4.358 4.550 0.001 0.000 0.286 2062 Y C 2.241 178.205 175.900 0.106 0.000 1.155 2062 Y CA 1.892 60.044 58.100 0.086 0.000 1.164 2062 Y CB -0.444 38.096 38.460 0.134 0.000 0.978 2062 Y HN 0.003 nan 8.280 nan 0.000 0.513 2063 G N -0.899 108.113 108.800 0.353 0.000 2.394 2063 G HA2 -0.198 3.762 3.960 0.001 0.000 0.215 2063 G HA3 -0.198 3.762 3.960 0.001 0.000 0.215 2063 G C 1.655 176.635 174.900 0.133 0.000 1.165 2063 G CA 1.038 46.335 45.100 0.329 0.000 0.784 2063 G HN 0.347 nan 8.290 nan 0.000 0.535 2064 V N 0.662 120.590 119.914 0.023 0.000 2.490 2064 V HA -0.140 3.980 4.120 0.001 0.000 0.250 2064 V C 2.684 178.759 176.094 -0.033 0.000 1.061 2064 V CA 2.169 64.459 62.300 -0.018 0.000 1.064 2064 V CB -0.296 31.478 31.823 -0.082 0.000 0.670 2064 V HN 0.406 nan 8.190 nan 0.000 0.461 2065 K N 0.151 120.507 120.400 -0.074 0.000 2.026 2065 K HA -0.195 4.125 4.320 0.001 0.000 0.208 2065 K C 2.217 178.725 176.600 -0.152 0.000 1.048 2065 K CA 1.665 57.875 56.287 -0.129 0.000 0.929 2065 K CB -0.334 32.051 32.500 -0.192 0.000 0.713 2065 K HN 0.438 nan 8.250 nan 0.000 0.439 2066 A N 1.050 123.754 122.820 -0.193 0.000 1.898 2066 A HA -0.111 4.209 4.320 0.001 0.000 0.216 2066 A C 2.105 179.660 177.584 -0.048 0.000 1.181 2066 A CA 1.255 53.206 52.037 -0.144 0.000 0.620 2066 A CB -0.599 18.338 19.000 -0.105 0.000 0.819 2066 A HN 0.311 nan 8.150 nan 0.000 0.442 2067 L N -1.160 120.075 121.223 0.020 0.000 2.131 2067 L HA -0.140 4.200 4.340 0.001 0.000 0.210 2067 L C 2.747 179.604 176.870 -0.022 0.000 1.092 2067 L CA 1.511 56.373 54.840 0.038 0.000 0.759 2067 L CB -0.405 41.731 42.059 0.127 0.000 0.903 2067 L HN 0.426 nan 8.230 nan 0.000 0.435 2068 R N 0.485 120.965 120.500 -0.033 0.000 2.120 2068 R HA -0.215 4.125 4.340 0.001 0.000 0.234 2068 R C 2.313 178.564 176.300 -0.081 0.000 1.123 2068 R CA 1.377 57.449 56.100 -0.048 0.000 0.975 2068 R CB 0.035 30.307 30.300 -0.047 0.000 0.866 2068 R HN 0.044 nan 8.270 nan 0.000 0.446 2069 K N 0.121 120.460 120.400 -0.102 0.000 2.026 2069 K HA -0.074 4.247 4.320 0.001 0.000 0.208 2069 K C 1.758 178.260 176.600 -0.164 0.000 1.048 2069 K CA 1.595 57.801 56.287 -0.134 0.000 0.929 2069 K CB -0.364 32.057 32.500 -0.130 0.000 0.713 2069 K HN 0.037 nan 8.250 nan 0.000 0.439 2070 V N 1.328 121.155 119.914 -0.145 0.000 2.332 2070 V HA -0.248 3.872 4.120 0.001 0.000 0.248 2070 V C 2.482 178.533 176.094 -0.072 0.000 1.055 2070 V CA 2.229 64.451 62.300 -0.131 0.000 1.038 2070 V CB -0.522 31.027 31.823 -0.455 0.000 0.651 2070 V HN 0.442 nan 8.190 nan 0.000 0.450 2071 K N -0.093 120.260 120.400 -0.078 0.000 2.097 2071 K HA -0.206 4.115 4.320 0.001 0.000 0.205 2071 K C 2.123 178.691 176.600 -0.053 0.000 1.050 2071 K CA 1.723 57.992 56.287 -0.030 0.000 0.938 2071 K CB -0.057 32.436 32.500 -0.012 0.000 0.718 2071 K HN 0.567 nan 8.250 nan 0.000 0.442 2072 E N 0.342 120.482 120.200 -0.100 0.000 2.028 2072 E HA -0.208 4.143 4.350 0.001 0.000 0.191 2072 E C 1.983 178.462 176.600 -0.202 0.000 0.988 2072 E CA 1.418 57.743 56.400 -0.125 0.000 0.799 2072 E CB 0.047 29.672 29.700 -0.124 0.000 0.755 2072 E HN 0.351 nan 8.360 nan 0.000 0.447 2073 E N -0.640 119.345 120.200 -0.359 0.000 2.106 2073 E HA -0.151 4.200 4.350 0.001 0.000 0.192 2073 E C 0.954 177.127 176.600 -0.711 0.000 0.984 2073 E CA 1.042 57.046 56.400 -0.660 0.000 0.806 2073 E CB 0.157 29.244 29.700 -1.022 0.000 0.750 2073 E HN 0.175 nan 8.360 nan 0.000 0.458 2074 F N -1.575 118.320 119.950 -0.091 0.000 2.746 2074 F HA 0.371 4.899 4.527 0.001 0.000 0.313 2074 F C 1.272 177.040 175.800 -0.053 0.000 1.095 2074 F CA 0.305 58.257 58.000 -0.079 0.000 1.224 2074 F CB 1.076 40.010 39.000 -0.109 0.000 1.060 2074 F HN 0.079 nan 8.300 nan 0.000 0.584 2075 G N 1.834 110.683 108.800 0.082 0.000 2.221 2075 G HA2 -0.299 3.662 3.960 0.001 0.000 0.265 2075 G HA3 -0.299 3.662 3.960 0.001 0.000 0.265 2075 G C -0.033 174.920 174.900 0.089 0.000 1.041 2075 G CA -0.068 45.069 45.100 0.063 0.000 0.807 2075 G HN 0.287 nan 8.290 nan 0.000 0.502 2076 L N -0.081 121.206 121.223 0.107 0.000 2.312 2076 L HA 0.382 4.722 4.340 0.001 0.000 0.281 2076 L C 1.187 178.124 176.870 0.112 0.000 1.070 2076 L CA -0.797 54.114 54.840 0.119 0.000 0.805 2076 L CB 0.940 43.075 42.059 0.127 0.000 1.174 2076 L HN 0.071 nan 8.230 nan 0.000 0.434 2077 K N 2.932 123.407 120.400 0.125 0.000 2.440 2077 K HA 0.270 4.590 4.320 0.001 0.000 0.270 2077 K C -0.574 176.116 176.600 0.150 0.000 0.980 2077 K CA -0.076 56.281 56.287 0.116 0.000 0.953 2077 K CB 0.658 33.218 32.500 0.101 0.000 0.925 2077 K HN 0.320 nan 8.250 nan 0.000 0.497 2078 I N 1.167 121.817 120.570 0.132 0.000 2.569 2078 I HA 0.230 4.401 4.170 0.001 0.000 0.296 2078 I C 0.104 176.298 176.117 0.129 0.000 1.028 2078 I CA -0.365 61.038 61.300 0.172 0.000 1.082 2078 I CB 1.815 39.907 38.000 0.153 0.000 1.264 2078 I HN 0.572 nan 8.210 nan 0.000 0.429 2079 T N 3.473 118.106 114.554 0.131 0.000 2.900 2079 T HA 0.687 5.038 4.350 0.001 0.000 0.295 2079 T C -0.825 173.942 174.700 0.111 0.000 1.044 2079 T CA -0.205 61.949 62.100 0.089 0.000 0.995 2079 T CB 1.691 70.584 68.868 0.041 0.000 1.072 2079 T HN 0.816 nan 8.240 nan 0.000 0.473 2080 T N 2.090 116.709 114.554 0.109 0.000 2.821 2080 T HA 0.548 4.898 4.350 0.001 0.000 0.306 2080 T C -1.968 172.760 174.700 0.047 0.000 1.313 2080 T CA -0.727 61.443 62.100 0.118 0.000 1.012 2080 T CB 1.445 70.460 68.868 0.244 0.000 1.298 2080 T HN 0.792 nan 8.240 nan 0.000 0.502 2081 D N 2.109 122.473 120.400 -0.060 0.000 2.229 2081 D HA 0.571 5.212 4.640 0.001 0.000 0.249 2081 D C 0.216 176.260 176.300 -0.427 0.000 1.027 2081 D CA -0.661 53.206 54.000 -0.222 0.000 0.923 2081 D CB 1.035 41.680 40.800 -0.258 0.000 1.174 2081 D HN 0.779 nan 8.370 nan 0.000 0.443 2082 I N -3.012 117.269 120.570 -0.483 0.000 2.797 2082 I HA 0.519 4.690 4.170 0.001 0.000 0.307 2082 I C -0.442 175.210 176.117 -0.774 0.000 1.033 2082 I CA -0.949 60.053 61.300 -0.496 0.000 1.071 2082 I CB 2.145 40.031 38.000 -0.190 0.000 1.255 2082 I HN 0.334 nan 8.210 nan 0.000 0.445 2083 H N 0.185 119.196 119.070 -0.098 0.000 3.400 2083 H HA 0.426 4.982 4.556 0.001 0.000 0.251 2083 H C -0.541 174.754 175.328 -0.056 0.000 1.040 2083 H CA -0.208 55.793 56.048 -0.078 0.000 1.175 2083 H CB 0.921 30.635 29.762 -0.079 0.000 1.487 2083 H HN 0.598 nan 8.280 nan 0.000 0.505 2084 E N -0.430 119.735 120.200 -0.058 0.000 2.408 2084 E HA 0.296 4.647 4.350 0.001 0.000 0.275 2084 E C -0.009 176.496 176.600 -0.158 0.000 0.935 2084 E CA -0.334 56.039 56.400 -0.045 0.000 0.775 2084 E CB 2.466 32.232 29.700 0.111 0.000 1.277 2084 E HN -0.054 nan 8.360 nan 0.000 0.455 2085 S N 1.185 116.891 115.700 0.010 0.000 2.370 2085 S HA -0.148 4.323 4.470 0.001 0.000 0.226 2085 S C 1.590 176.212 174.600 0.038 0.000 1.033 2085 S CA 1.545 59.762 58.200 0.029 0.000 1.011 2085 S CB -0.253 63.003 63.200 0.093 0.000 0.852 2085 S HN 0.729 nan 8.310 nan 0.000 0.457 2086 W N 1.921 123.253 121.300 0.054 0.000 2.387 2086 W HA -0.146 4.515 4.660 0.001 0.000 0.272 2086 W C 1.179 177.726 176.519 0.046 0.000 1.224 2086 W CA 0.857 58.229 57.345 0.045 0.000 1.210 2086 W CB -0.848 28.638 29.460 0.042 0.000 1.125 2086 W HN 0.402 nan 8.180 nan 0.000 0.572 2087 Q N 0.798 120.223 119.800 -0.625 0.000 2.378 2087 Q HA 0.022 4.362 4.340 0.001 0.000 0.205 2087 Q C 2.708 178.571 176.000 -0.229 0.000 0.954 2087 Q CA 1.186 56.593 55.803 -0.661 0.000 0.901 2087 Q CB -0.226 28.042 28.738 -0.782 0.000 0.981 2087 Q HN 0.333 nan 8.270 nan 0.000 0.483 2088 A N 1.642 124.387 122.820 -0.125 0.000 1.877 2088 A HA -0.277 4.044 4.320 0.001 0.000 0.216 2088 A C 1.957 179.530 177.584 -0.018 0.000 1.186 2088 A CA 1.714 53.720 52.037 -0.051 0.000 0.620 2088 A CB -0.488 18.500 19.000 -0.020 0.000 0.822 2088 A HN 0.432 nan 8.150 nan 0.000 0.443 2089 E N -0.263 119.944 120.200 0.012 0.000 2.031 2089 E HA -0.155 4.196 4.350 0.001 0.000 0.193 2089 E C -0.548 176.063 176.600 0.018 0.000 0.994 2089 E CA 1.447 57.865 56.400 0.029 0.000 0.800 2089 E CB -0.591 29.143 29.700 0.057 0.000 0.752 2089 E HN 0.474 nan 8.360 nan 0.000 0.447 2090 P HA -0.120 nan 4.420 nan 0.000 0.217 2090 P C 1.636 178.910 177.300 -0.044 0.000 1.150 2090 P CA 0.993 64.091 63.100 -0.004 0.000 0.832 2090 P CB -0.026 31.680 31.700 0.010 0.000 0.787 2091 V N 0.783 120.654 119.914 -0.072 0.000 2.515 2091 V HA -0.172 3.948 4.120 0.001 0.000 0.250 2091 V C 2.723 178.817 176.094 -0.000 0.000 1.058 2091 V CA 1.949 64.219 62.300 -0.051 0.000 1.064 2091 V CB -1.648 30.162 31.823 -0.022 0.000 0.675 2091 V HN 0.097 nan 8.190 nan 0.000 0.461 2092 A N -0.304 122.519 122.820 0.005 0.000 2.125 2092 A HA -0.163 4.158 4.320 0.001 0.000 0.219 2092 A C 2.089 179.684 177.584 0.018 0.000 1.156 2092 A CA 1.224 53.272 52.037 0.018 0.000 0.671 2092 A CB -0.319 18.692 19.000 0.018 0.000 0.794 2092 A HN 0.590 nan 8.150 nan 0.000 0.459 2093 E N -0.138 120.068 120.200 0.009 0.000 2.118 2093 E HA -0.147 4.204 4.350 0.001 0.000 0.195 2093 E C 1.749 178.356 176.600 0.012 0.000 0.992 2093 E CA 1.746 58.151 56.400 0.008 0.000 0.804 2093 E CB -0.314 29.387 29.700 0.000 0.000 0.741 2093 E HN 0.519 nan 8.360 nan 0.000 0.458 2094 V N 0.102 120.026 119.914 0.017 0.000 3.307 2094 V HA 0.213 4.333 4.120 0.001 0.000 0.244 2094 V C 0.948 177.071 176.094 0.048 0.000 1.196 2094 V CA 0.486 62.803 62.300 0.028 0.000 1.132 2094 V CB 0.244 32.083 31.823 0.026 0.000 0.875 2094 V HN 0.096 nan 8.190 nan 0.000 0.468 2095 A N 0.755 123.607 122.820 0.054 0.000 2.354 2095 A HA 0.245 4.565 4.320 0.001 0.000 0.281 2095 A C 0.888 178.510 177.584 0.062 0.000 1.174 2095 A CA -0.178 51.901 52.037 0.070 0.000 0.828 2095 A CB -0.047 18.999 19.000 0.077 0.000 1.099 2095 A HN 0.401 nan 8.150 nan 0.000 0.516 2096 D N 1.791 122.233 120.400 0.069 0.000 2.183 2096 D HA -0.006 4.634 4.640 0.001 0.000 0.203 2096 D C 0.190 176.534 176.300 0.073 0.000 0.969 2096 D CA 1.450 55.491 54.000 0.067 0.000 0.842 2096 D CB 0.223 41.065 40.800 0.071 0.000 0.957 2096 D HN 0.586 nan 8.370 nan 0.000 0.484 2097 I N 1.533 122.143 120.570 0.067 0.000 2.418 2097 I HA 0.272 4.442 4.170 0.001 0.000 0.287 2097 I C -0.331 175.820 176.117 0.057 0.000 1.008 2097 I CA -0.637 60.703 61.300 0.067 0.000 1.104 2097 I CB 2.507 40.523 38.000 0.027 0.000 1.264 2097 I HN -0.294 nan 8.210 nan 0.000 0.438 2098 I N 5.743 126.346 120.570 0.055 0.000 2.325 2098 I HA 0.211 4.381 4.170 0.001 0.000 0.291 2098 I C 0.183 176.309 176.117 0.016 0.000 1.019 2098 I CA -0.226 61.093 61.300 0.033 0.000 1.302 2098 I CB 1.171 39.184 38.000 0.022 0.000 1.401 2098 I HN 0.606 nan 8.210 nan 0.000 0.485 2099 Q N 6.451 126.245 119.800 -0.010 0.000 2.256 2099 Q HA 0.408 4.748 4.340 0.001 0.000 0.254 2099 Q C -1.077 174.868 176.000 -0.093 0.000 0.916 2099 Q CA -0.709 55.070 55.803 -0.040 0.000 0.932 2099 Q CB 1.315 30.037 28.738 -0.028 0.000 1.207 2099 Q HN 0.484 nan 8.270 nan 0.000 0.426 2100 I N 6.617 127.134 120.570 -0.089 0.000 2.312 2100 I HA 0.341 4.511 4.170 0.001 0.000 0.290 2100 I C -2.194 173.845 176.117 -0.130 0.000 1.008 2100 I CA -2.622 58.618 61.300 -0.101 0.000 1.226 2100 I CB 0.852 38.818 38.000 -0.056 0.000 1.371 2100 I HN 0.514 nan 8.210 nan 0.000 0.468 2101 P HA 0.108 nan 4.420 nan 0.000 0.269 2101 P C 0.641 177.850 177.300 -0.152 0.000 1.215 2101 P CA -0.020 62.977 63.100 -0.171 0.000 0.780 2101 P CB 0.929 32.564 31.700 -0.108 0.000 0.898 2102 A N 2.067 124.724 122.820 -0.272 0.000 1.883 2102 A HA -0.221 4.100 4.320 0.001 0.000 0.217 2102 A C 1.680 179.264 177.584 -0.001 0.000 1.186 2102 A CA 1.809 53.694 52.037 -0.254 0.000 0.624 2102 A CB -1.693 17.065 19.000 -0.403 0.000 0.822 2102 A HN 0.507 nan 8.150 nan 0.000 0.444 2103 F N -0.316 119.659 119.950 0.043 0.000 2.365 2103 F HA 0.028 4.556 4.527 0.001 0.000 0.300 2103 F C 1.663 177.583 175.800 0.200 0.000 1.090 2103 F CA 0.369 58.493 58.000 0.206 0.000 1.408 2103 F CB -0.576 38.496 39.000 0.120 0.000 1.060 2103 F HN 0.096 nan 8.300 nan 0.000 0.534 2104 L N -0.409 120.970 121.223 0.261 0.000 2.667 2104 L HA 0.055 4.395 4.340 0.001 0.000 0.232 2104 L C 1.948 178.893 176.870 0.125 0.000 1.138 2104 L CA -0.019 54.921 54.840 0.165 0.000 0.921 2104 L CB -0.650 41.465 42.059 0.094 0.000 1.180 2104 L HN 0.266 nan 8.230 nan 0.000 0.487 2105 C N -1.534 117.852 119.300 0.144 0.000 2.449 2105 C HA 0.002 4.463 4.460 0.001 0.000 0.283 2105 C C 2.283 177.330 174.990 0.095 0.000 1.453 2105 C CA -0.126 58.935 59.018 0.071 0.000 1.779 2105 C CB -0.870 26.867 27.740 -0.005 0.000 1.779 2105 C HN 0.433 nan 8.230 nan 0.000 0.546 2106 R N 0.239 120.831 120.500 0.154 0.000 2.334 2106 R HA 0.129 4.470 4.340 0.001 0.000 0.216 2106 R C 0.213 176.545 176.300 0.054 0.000 0.905 2106 R CA 0.117 56.278 56.100 0.101 0.000 1.064 2106 R CB -0.096 30.278 30.300 0.123 0.000 1.046 2106 R HN 0.592 nan 8.270 nan 0.000 0.508 2107 Q N 1.242 121.076 119.800 0.057 0.000 2.431 2107 Q HA 0.059 4.400 4.340 0.001 0.000 0.234 2107 Q C 0.803 176.820 176.000 0.029 0.000 1.203 2107 Q CA 0.282 56.108 55.803 0.038 0.000 0.902 2107 Q CB 0.810 29.576 28.738 0.046 0.000 1.455 2107 Q HN 0.049 nan 8.270 nan 0.000 0.515 2108 T N 1.466 116.031 114.554 0.019 0.000 2.653 2108 T HA -0.186 4.165 4.350 0.001 0.000 0.268 2108 T C 0.929 175.647 174.700 0.030 0.000 1.035 2108 T CA 1.766 63.874 62.100 0.014 0.000 1.154 2108 T CB 0.090 68.954 68.868 -0.006 0.000 0.862 2108 T HN 0.475 nan 8.240 nan 0.000 0.441 2109 D N 0.559 120.979 120.400 0.034 0.000 2.144 2109 D HA -0.013 4.627 4.640 0.001 0.000 0.199 2109 D C 2.033 178.359 176.300 0.043 0.000 0.984 2109 D CA 0.469 54.496 54.000 0.046 0.000 0.834 2109 D CB -0.401 40.429 40.800 0.051 0.000 0.955 2109 D HN 0.180 nan 8.370 nan 0.000 0.465 2110 L N 0.624 121.867 121.223 0.033 0.000 2.017 2110 L HA -0.101 4.239 4.340 0.001 0.000 0.208 2110 L C 2.263 179.142 176.870 0.015 0.000 1.073 2110 L CA 1.279 56.129 54.840 0.017 0.000 0.745 2110 L CB -0.540 41.524 42.059 0.008 0.000 0.894 2110 L HN -0.010 nan 8.230 nan 0.000 0.432 2111 L N -1.334 119.902 121.223 0.023 0.000 2.012 2111 L HA -0.275 4.065 4.340 0.001 0.000 0.210 2111 L C 2.480 179.377 176.870 0.044 0.000 1.073 2111 L CA 1.435 56.292 54.840 0.029 0.000 0.748 2111 L CB -0.660 41.418 42.059 0.031 0.000 0.891 2111 L HN 0.282 nan 8.230 nan 0.000 0.431 2112 L N -0.681 120.577 121.223 0.059 0.000 2.093 2112 L HA -0.171 4.169 4.340 0.001 0.000 0.208 2112 L C 2.890 179.795 176.870 0.058 0.000 1.085 2112 L CA 0.998 55.886 54.840 0.079 0.000 0.755 2112 L CB -0.759 41.363 42.059 0.105 0.000 0.904 2112 L HN 0.252 nan 8.230 nan 0.000 0.435 2113 A N 0.254 123.102 122.820 0.046 0.000 1.877 2113 A HA -0.199 4.122 4.320 0.001 0.000 0.216 2113 A C 2.550 180.148 177.584 0.025 0.000 1.186 2113 A CA 1.863 53.922 52.037 0.037 0.000 0.620 2113 A CB -0.720 18.299 19.000 0.032 0.000 0.822 2113 A HN 0.398 nan 8.150 nan 0.000 0.443 2114 A N -0.195 122.635 122.820 0.017 0.000 1.877 2114 A HA 0.156 4.476 4.320 0.001 0.000 0.216 2114 A C 2.517 180.116 177.584 0.025 0.000 1.186 2114 A CA 2.170 54.215 52.037 0.014 0.000 0.620 2114 A CB -1.070 17.935 19.000 0.007 0.000 0.822 2114 A HN 1.117 nan 8.150 nan 0.000 0.443 2115 A N -0.410 122.429 122.820 0.031 0.000 1.972 2115 A HA -0.169 4.151 4.320 0.001 0.000 0.219 2115 A C 2.107 179.704 177.584 0.021 0.000 1.169 2115 A CA 1.940 53.995 52.037 0.030 0.000 0.635 2115 A CB -0.444 18.579 19.000 0.038 0.000 0.810 2115 A HN 0.545 nan 8.150 nan 0.000 0.446 2116 K N -0.106 120.308 120.400 0.023 0.000 2.209 2116 K HA -0.138 4.183 4.320 0.001 0.000 0.204 2116 K C 1.921 178.530 176.600 0.016 0.000 1.048 2116 K CA 1.709 58.005 56.287 0.016 0.000 0.940 2116 K CB -0.268 32.246 32.500 0.024 0.000 0.729 2116 K HN 0.666 nan 8.250 nan 0.000 0.451 2117 T N -3.166 111.400 114.554 0.020 0.000 3.035 2117 T HA 0.033 4.384 4.350 0.001 0.000 0.268 2117 T C 1.439 176.150 174.700 0.019 0.000 1.109 2117 T CA 0.952 63.064 62.100 0.020 0.000 1.119 2117 T CB -0.242 68.638 68.868 0.022 0.000 0.900 2117 T HN 0.390 nan 8.240 nan 0.000 0.503 2118 G N 1.475 110.286 108.800 0.018 0.000 2.184 2118 G HA2 -0.252 3.708 3.960 0.001 0.000 0.264 2118 G HA3 -0.252 3.708 3.960 0.001 0.000 0.264 2118 G C 0.260 175.176 174.900 0.027 0.000 0.975 2118 G CA 0.001 45.112 45.100 0.018 0.000 0.642 2118 G HN 0.630 nan 8.290 nan 0.000 0.536 2119 R N 0.557 121.077 120.500 0.034 0.000 2.560 2119 R HA 0.708 5.049 4.340 0.001 0.000 0.270 2119 R C 0.960 177.296 176.300 0.059 0.000 1.074 2119 R CA 0.112 56.240 56.100 0.047 0.000 1.140 2119 R CB 0.199 30.527 30.300 0.048 0.000 1.073 2119 R HN 0.699 nan 8.270 nan 0.000 0.527 2120 A N 1.134 124.005 122.820 0.086 0.000 2.448 2120 A HA 0.319 4.640 4.320 0.001 0.000 0.239 2120 A C -0.201 177.459 177.584 0.127 0.000 1.080 2120 A CA -0.141 51.972 52.037 0.126 0.000 0.779 2120 A CB 0.395 19.532 19.000 0.228 0.000 1.026 2120 A HN 0.354 nan 8.150 nan 0.000 0.499 2121 V N 2.181 122.183 119.914 0.146 0.000 2.709 2121 V HA 0.389 4.510 4.120 0.001 0.000 0.308 2121 V C -0.094 176.114 176.094 0.191 0.000 1.062 2121 V CA -0.803 61.570 62.300 0.121 0.000 0.901 2121 V CB 1.844 33.707 31.823 0.068 0.000 1.003 2121 V HN 0.980 nan 8.190 nan 0.000 0.425 2122 N N 2.931 121.711 118.700 0.133 0.000 2.443 2122 N HA 0.573 5.313 4.740 0.001 0.000 0.269 2122 N C -1.492 174.032 175.510 0.023 0.000 0.985 2122 N CA -0.364 52.758 53.050 0.120 0.000 0.921 2122 N CB 1.919 40.424 38.487 0.030 0.000 1.195 2122 N HN 0.451 nan 8.380 nan 0.000 0.492 2123 V N 4.059 123.982 119.914 0.015 0.000 2.370 2123 V HA 0.259 4.380 4.120 0.001 0.000 0.279 2123 V C 0.186 176.222 176.094 -0.097 0.000 1.029 2123 V CA -0.851 61.424 62.300 -0.041 0.000 0.870 2123 V CB 1.153 32.962 31.823 -0.023 0.000 0.984 2123 V HN 0.573 nan 8.190 nan 0.000 0.451 2124 K N 3.855 124.158 120.400 -0.161 0.000 2.416 2124 K HA 0.106 4.427 4.320 0.001 0.000 0.283 2124 K C 0.139 176.610 176.600 -0.216 0.000 1.037 2124 K CA -0.077 56.068 56.287 -0.236 0.000 0.995 2124 K CB 0.553 32.864 32.500 -0.316 0.000 0.938 2124 K HN 0.630 nan 8.250 nan 0.000 0.475 2125 K N 1.910 122.177 120.400 -0.221 0.000 2.402 2125 K HA 0.069 4.389 4.320 0.001 0.000 0.285 2125 K C 0.323 176.710 176.600 -0.355 0.000 1.054 2125 K CA -0.111 56.030 56.287 -0.242 0.000 1.001 2125 K CB 0.356 32.733 32.500 -0.205 0.000 0.946 2125 K HN 0.691 nan 8.250 nan 0.000 0.473 2126 G N 3.270 111.761 108.800 -0.515 0.000 2.474 2126 G HA2 -0.110 3.851 3.960 0.001 0.000 0.233 2126 G HA3 -0.110 3.851 3.960 0.001 0.000 0.233 2126 G C 0.217 174.634 174.900 -0.805 0.000 1.278 2126 G CA -0.397 44.141 45.100 -0.937 0.000 0.861 2126 G HN 0.821 nan 8.290 nan 0.000 0.567 2127 Q N 0.658 120.153 119.800 -0.509 0.000 2.364 2127 Q HA -0.083 4.258 4.340 0.001 0.000 0.209 2127 Q C 1.764 177.685 176.000 -0.132 0.000 0.977 2127 Q CA 1.547 57.231 55.803 -0.199 0.000 0.885 2127 Q CB -0.209 28.561 28.738 0.054 0.000 0.941 2127 Q HN 0.832 nan 8.270 nan 0.000 0.464 2128 F N -2.642 117.319 119.950 0.018 0.000 2.776 2128 F HA 0.313 4.840 4.527 0.001 0.000 0.300 2128 F C 0.283 176.059 175.800 -0.040 0.000 1.116 2128 F CA -0.740 57.257 58.000 -0.005 0.000 1.375 2128 F CB -0.031 38.971 39.000 0.003 0.000 1.109 2128 F HN -0.124 nan 8.300 nan 0.000 0.585 2129 L N 1.853 122.909 121.223 -0.278 0.000 2.312 2129 L HA 0.664 5.004 4.340 0.001 0.000 0.281 2129 L C 0.347 177.070 176.870 -0.245 0.000 1.070 2129 L CA -1.141 53.587 54.840 -0.187 0.000 0.805 2129 L CB 0.942 42.822 42.059 -0.298 0.000 1.174 2129 L HN 0.229 nan 8.230 nan 0.000 0.434 2130 A N 5.898 128.533 122.820 -0.309 0.000 2.322 2130 A HA 0.566 4.887 4.320 0.001 0.000 0.269 2130 A C -1.776 175.382 177.584 -0.710 0.000 1.094 2130 A CA -1.066 50.589 52.037 -0.637 0.000 0.807 2130 A CB -0.083 18.327 19.000 -0.983 0.000 1.047 2130 A HN 0.717 nan 8.150 nan 0.000 0.487 2131 P HA -0.152 nan 4.420 nan 0.000 0.216 2131 P C 0.983 178.261 177.300 -0.037 0.000 1.150 2131 P CA 1.878 64.789 63.100 -0.316 0.000 0.837 2131 P CB -0.159 31.419 31.700 -0.203 0.000 0.786 2132 W N -0.086 121.333 121.300 0.199 0.000 2.525 2132 W HA 0.007 4.667 4.660 0.001 0.000 0.259 2132 W C 0.875 177.387 176.519 -0.011 0.000 1.253 2132 W CA 0.524 58.014 57.345 0.242 0.000 1.262 2132 W CB -1.834 27.747 29.460 0.202 0.000 1.122 2132 W HN -0.118 nan 8.180 nan 0.000 0.607 2133 D N 0.903 121.272 120.400 -0.051 0.000 2.348 2133 D HA -0.125 4.516 4.640 0.001 0.000 0.216 2133 D C 2.092 178.331 176.300 -0.102 0.000 0.970 2133 D CA 1.947 55.919 54.000 -0.046 0.000 0.889 2133 D CB -0.540 40.221 40.800 -0.065 0.000 0.912 2133 D HN 0.400 nan 8.370 nan 0.000 0.524 2134 T N -1.943 112.553 114.554 -0.096 0.000 3.088 2134 T HA -0.021 4.330 4.350 0.001 0.000 0.259 2134 T C 1.708 176.281 174.700 -0.211 0.000 1.122 2134 T CA 0.335 62.389 62.100 -0.078 0.000 1.095 2134 T CB 0.200 69.093 68.868 0.043 0.000 0.930 2134 T HN 0.042 nan 8.240 nan 0.000 0.508 2135 K N 1.622 121.663 120.400 -0.598 0.000 2.063 2135 K HA -0.162 4.159 4.320 0.001 0.000 0.208 2135 K C 2.063 178.394 176.600 -0.447 0.000 1.048 2135 K CA 1.764 57.468 56.287 -0.972 0.000 0.928 2135 K CB -0.370 31.151 32.500 -1.631 0.000 0.713 2135 K HN 0.518 nan 8.250 nan 0.000 0.442 2136 N N -0.266 118.258 118.700 -0.294 0.000 2.244 2136 N HA -0.131 4.609 4.740 0.001 0.000 0.183 2136 N C 1.699 177.144 175.510 -0.108 0.000 1.016 2136 N CA 0.884 53.833 53.050 -0.167 0.000 0.866 2136 N CB 0.131 38.548 38.487 -0.115 0.000 0.980 2136 N HN -0.027 nan 8.380 nan 0.000 0.430 2137 V N 0.787 120.646 119.914 -0.092 0.000 2.261 2137 V HA -0.209 3.912 4.120 0.001 0.000 0.246 2137 V C 2.270 178.347 176.094 -0.028 0.000 1.047 2137 V CA 1.412 63.686 62.300 -0.044 0.000 1.015 2137 V CB -0.545 31.259 31.823 -0.031 0.000 0.642 2137 V HN 0.134 nan 8.190 nan 0.000 0.446 2138 V N 0.021 119.913 119.914 -0.037 0.000 2.332 2138 V HA -0.318 3.802 4.120 0.001 0.000 0.248 2138 V C 2.474 178.566 176.094 -0.003 0.000 1.055 2138 V CA 2.385 64.683 62.300 -0.004 0.000 1.038 2138 V CB -0.672 31.165 31.823 0.024 0.000 0.651 2138 V HN 0.693 nan 8.190 nan 0.000 0.450 2139 E N 0.205 120.380 120.200 -0.042 0.000 2.110 2139 E HA -0.254 4.097 4.350 0.001 0.000 0.193 2139 E C 2.260 178.884 176.600 0.042 0.000 0.988 2139 E CA 1.296 57.690 56.400 -0.011 0.000 0.804 2139 E CB -0.020 29.646 29.700 -0.056 0.000 0.745 2139 E HN 0.601 nan 8.360 nan 0.000 0.458 2140 K N 0.219 120.628 120.400 0.016 0.000 2.026 2140 K HA -0.135 4.186 4.320 0.001 0.000 0.208 2140 K C 2.313 178.986 176.600 0.122 0.000 1.048 2140 K CA 1.287 57.605 56.287 0.050 0.000 0.929 2140 K CB -0.149 32.357 32.500 0.010 0.000 0.713 2140 K HN 0.202 nan 8.250 nan 0.000 0.439 2141 L N 1.173 122.441 121.223 0.075 0.000 2.046 2141 L HA -0.205 4.136 4.340 0.001 0.000 0.208 2141 L C 2.348 179.263 176.870 0.075 0.000 1.077 2141 L CA 1.371 56.253 54.840 0.070 0.000 0.747 2141 L CB -0.314 41.770 42.059 0.042 0.000 0.896 2141 L HN 0.155 nan 8.230 nan 0.000 0.432 2142 K N -0.523 119.923 120.400 0.076 0.000 2.057 2142 K HA -0.207 4.114 4.320 0.001 0.000 0.207 2142 K C 2.093 178.741 176.600 0.080 0.000 1.049 2142 K CA 1.516 57.842 56.287 0.064 0.000 0.931 2142 K CB -0.319 32.216 32.500 0.059 0.000 0.714 2142 K HN 0.113 nan 8.250 nan 0.000 0.440 2143 F N 1.390 121.337 119.950 -0.005 0.000 2.161 2143 F HA -0.158 4.370 4.527 0.001 0.000 0.300 2143 F C 1.879 177.679 175.800 0.001 0.000 1.089 2143 F CA 1.808 59.807 58.000 -0.003 0.000 1.282 2143 F CB -0.365 38.632 39.000 -0.005 0.000 1.010 2143 F HN -0.009 nan 8.300 nan 0.000 0.485 2144 G N -1.326 107.540 108.800 0.109 0.000 2.920 2144 G HA2 0.281 4.242 3.960 0.001 0.000 0.208 2144 G HA3 0.281 4.242 3.960 0.001 0.000 0.208 2144 G C 1.280 176.157 174.900 -0.039 0.000 1.159 2144 G CA 0.383 45.500 45.100 0.030 0.000 0.784 2144 G HN 1.013 nan 8.290 nan 0.000 0.535 2145 G N -1.487 107.284 108.800 -0.047 0.000 2.184 2145 G HA2 0.153 4.113 3.960 0.001 0.000 0.206 2145 G HA3 0.153 4.113 3.960 0.001 0.000 0.206 2145 G C 0.498 175.390 174.900 -0.014 0.000 0.995 2145 G CA 0.112 45.184 45.100 -0.046 0.000 0.651 2145 G HN 1.259 nan 8.290 nan 0.000 0.511 2146 A N 0.062 122.885 122.820 0.004 0.000 2.462 2146 A HA 0.668 4.989 4.320 0.001 0.000 0.243 2146 A C 1.175 178.760 177.584 0.001 0.000 1.076 2146 A CA 1.114 53.157 52.037 0.010 0.000 0.773 2146 A CB 0.369 19.381 19.000 0.021 0.000 1.010 2146 A HN 0.365 nan 8.150 nan 0.000 0.493 2147 K N 0.506 120.904 120.400 -0.004 0.000 2.399 2147 K HA 0.111 4.432 4.320 0.001 0.000 0.196 2147 K C 0.162 176.738 176.600 -0.039 0.000 1.117 2147 K CA 0.312 56.591 56.287 -0.014 0.000 0.965 2147 K CB 0.740 33.236 32.500 -0.008 0.000 0.983 2147 K HN 0.810 nan 8.250 nan 0.000 0.531 2148 E N 1.903 122.076 120.200 -0.044 0.000 2.149 2148 E HA 0.318 4.668 4.350 0.001 0.000 0.255 2148 E C -1.358 175.148 176.600 -0.157 0.000 0.888 2148 E CA -0.244 56.090 56.400 -0.112 0.000 0.742 2148 E CB 0.675 30.355 29.700 -0.034 0.000 1.164 2148 E HN 0.067 nan 8.360 nan 0.000 0.422 2149 I N 4.441 124.839 120.570 -0.287 0.000 2.498 2149 I HA 0.354 4.525 4.170 0.001 0.000 0.290 2149 I C -1.151 174.752 176.117 -0.357 0.000 1.032 2149 I CA -0.858 60.331 61.300 -0.186 0.000 1.073 2149 I CB 1.262 39.223 38.000 -0.065 0.000 1.251 2149 I HN 0.469 nan 8.210 nan 0.000 0.426 2150 Y N 5.606 125.912 120.300 0.010 0.000 2.485 2150 Y HA 0.687 5.238 4.550 0.001 0.000 0.345 2150 Y C -0.452 175.442 175.900 -0.010 0.000 0.998 2150 Y CA -0.891 57.208 58.100 -0.001 0.000 1.059 2150 Y CB 1.753 40.204 38.460 -0.015 0.000 1.234 2150 Y HN 0.269 nan 8.280 nan 0.000 0.461 2151 L N 2.096 123.412 121.223 0.155 0.000 2.341 2151 L HA 0.621 4.962 4.340 0.001 0.000 0.278 2151 L C -0.624 176.260 176.870 0.023 0.000 1.005 2151 L CA -0.570 54.307 54.840 0.062 0.000 0.818 2151 L CB 2.128 44.222 42.059 0.059 0.000 1.259 2151 L HN 0.633 nan 8.230 nan 0.000 0.418 2152 T N 1.126 115.644 114.554 -0.059 0.000 2.786 2152 T HA 0.215 4.566 4.350 0.001 0.000 0.283 2152 T C -0.392 174.216 174.700 -0.154 0.000 0.992 2152 T CA -0.455 61.571 62.100 -0.123 0.000 0.954 2152 T CB 1.464 70.185 68.868 -0.245 0.000 0.934 2152 T HN 0.436 nan 8.240 nan 0.000 0.440 2153 E N 2.846 122.985 120.200 -0.101 0.000 2.299 2153 E HA 0.222 4.572 4.350 0.001 0.000 0.272 2153 E C 0.499 176.987 176.600 -0.186 0.000 1.043 2153 E CA -0.316 56.024 56.400 -0.100 0.000 0.895 2153 E CB 0.397 30.105 29.700 0.015 0.000 1.011 2153 E HN 0.610 nan 8.360 nan 0.000 0.432 2154 R N 3.139 123.512 120.500 -0.211 0.000 2.582 2154 R HA 0.481 4.821 4.340 0.001 0.000 0.453 2154 R C 0.120 176.324 176.300 -0.160 0.000 0.969 2154 R CA -0.195 55.764 56.100 -0.234 0.000 1.113 2154 R CB 0.046 30.166 30.300 -0.300 0.000 1.507 2154 R HN 0.659 nan 8.270 nan 0.000 0.587 2155 G N -0.013 108.702 108.800 -0.142 0.000 2.699 2155 G HA2 -0.028 3.933 3.960 0.001 0.000 0.686 2155 G HA3 -0.028 3.933 3.960 0.001 0.000 0.686 2155 G C -0.884 173.946 174.900 -0.116 0.000 1.301 2155 G CA -0.440 44.592 45.100 -0.114 0.000 0.816 2155 G HN 0.212 nan 8.290 nan 0.000 0.595 2156 T N 0.998 115.503 114.554 -0.082 0.000 2.893 2156 T HA 0.645 4.995 4.350 0.001 0.000 0.293 2156 T C 0.426 175.149 174.700 0.039 0.000 1.027 2156 T CA 0.004 62.071 62.100 -0.055 0.000 0.988 2156 T CB 1.658 70.479 68.868 -0.080 0.000 1.043 2156 T HN 0.914 nan 8.240 nan 0.000 0.461 2157 T N 3.087 117.683 114.554 0.070 0.000 2.866 2157 T HA 0.133 4.484 4.350 0.001 0.000 0.293 2157 T C -0.670 174.137 174.700 0.177 0.000 1.005 2157 T CA 0.517 62.690 62.100 0.121 0.000 1.162 2157 T CB -0.414 68.524 68.868 0.115 0.000 0.968 2157 T HN 0.434 nan 8.240 nan 0.000 0.530 2158 F N 3.920 123.861 119.950 -0.015 0.000 2.824 2158 F HA 0.514 5.041 4.527 0.001 0.000 0.375 2158 F C 0.731 176.496 175.800 -0.058 0.000 1.190 2158 F CA -0.006 57.971 58.000 -0.038 0.000 1.180 2158 F CB -0.147 38.833 39.000 -0.034 0.000 1.477 2158 F HN 0.929 nan 8.300 nan 0.000 0.542 2159 G N 2.886 111.420 108.800 -0.444 0.000 2.575 2159 G HA2 -0.312 3.649 3.960 0.001 0.000 0.267 2159 G HA3 -0.312 3.649 3.960 0.001 0.000 0.267 2159 G C -1.150 173.579 174.900 -0.286 0.000 1.264 2159 G CA -0.081 44.711 45.100 -0.514 0.000 0.935 2159 G HN 0.519 nan 8.290 nan 0.000 0.568 2160 Y N 1.536 121.790 120.300 -0.075 0.000 2.310 2160 Y HA 0.458 5.008 4.550 0.001 0.000 0.326 2160 Y C 1.352 177.256 175.900 0.007 0.000 1.151 2160 Y CA -0.357 57.729 58.100 -0.022 0.000 1.195 2160 Y CB 0.880 39.325 38.460 -0.023 0.000 1.210 2160 Y HN 0.761 nan 8.280 nan 0.000 0.483 2161 N N 1.030 119.860 118.700 0.216 0.000 2.721 2161 N HA -0.319 4.422 4.740 0.001 0.000 0.249 2161 N C -0.997 174.593 175.510 0.133 0.000 1.072 2161 N CA 0.967 54.105 53.050 0.145 0.000 0.710 2161 N CB -1.026 37.532 38.487 0.118 0.000 0.993 2161 N HN 0.740 nan 8.380 nan 0.000 0.547 2162 N N -0.417 118.368 118.700 0.142 0.000 2.446 2162 N HA 0.546 5.287 4.740 0.001 0.000 0.272 2162 N C -1.714 173.902 175.510 0.177 0.000 1.127 2162 N CA -0.627 52.518 53.050 0.159 0.000 0.896 2162 N CB 1.338 39.941 38.487 0.193 0.000 1.658 2162 N HN -0.028 nan 8.380 nan 0.000 0.483 2163 L N 1.961 123.270 121.223 0.142 0.000 2.354 2163 L HA 0.703 5.043 4.340 0.001 0.000 0.269 2163 L C -0.667 176.223 176.870 0.032 0.000 1.005 2163 L CA -1.032 53.868 54.840 0.100 0.000 0.819 2163 L CB 2.040 44.128 42.059 0.048 0.000 1.311 2163 L HN 0.250 nan 8.230 nan 0.000 0.423 2164 V N 2.737 122.621 119.914 -0.050 0.000 2.680 2164 V HA 0.508 4.629 4.120 0.001 0.000 0.309 2164 V C -0.590 175.388 176.094 -0.193 0.000 1.052 2164 V CA -0.538 61.635 62.300 -0.212 0.000 0.908 2164 V CB 2.457 33.972 31.823 -0.514 0.000 1.001 2164 V HN 0.418 nan 8.190 nan 0.000 0.431 2165 V N 5.426 125.210 119.914 -0.218 0.000 2.368 2165 V HA 0.314 4.435 4.120 0.001 0.000 0.266 2165 V C -0.054 175.795 176.094 -0.409 0.000 1.045 2165 V CA -0.428 61.656 62.300 -0.359 0.000 0.899 2165 V CB 1.186 32.701 31.823 -0.515 0.000 1.006 2165 V HN 0.903 nan 8.190 nan 0.000 0.470 2166 D N 4.051 124.250 120.400 -0.336 0.000 2.422 2166 D HA 0.212 4.853 4.640 0.001 0.000 0.227 2166 D C 0.669 176.826 176.300 -0.237 0.000 1.190 2166 D CA -0.285 53.584 54.000 -0.217 0.000 0.905 2166 D CB 0.502 41.213 40.800 -0.149 0.000 1.034 2166 D HN 0.416 nan 8.370 nan 0.000 0.507 2167 F N 2.062 121.961 119.950 -0.085 0.000 2.641 2167 F HA 0.012 4.540 4.527 0.001 0.000 0.298 2167 F C 2.206 177.967 175.800 -0.064 0.000 1.146 2167 F CA 0.351 58.296 58.000 -0.091 0.000 1.464 2167 F CB 0.083 39.012 39.000 -0.119 0.000 1.101 2167 F HN 0.284 nan 8.300 nan 0.000 0.585 2168 R N -0.174 120.376 120.500 0.083 0.000 2.200 2168 R HA -0.161 4.179 4.340 0.001 0.000 0.234 2168 R C 2.451 178.768 176.300 0.030 0.000 1.127 2168 R CA 1.393 57.531 56.100 0.062 0.000 0.989 2168 R CB -0.675 29.672 30.300 0.078 0.000 0.869 2168 R HN 0.355 nan 8.270 nan 0.000 0.459 2169 S N 0.664 116.346 115.700 -0.029 0.000 2.399 2169 S HA -0.116 4.355 4.470 0.001 0.000 0.231 2169 S C 1.853 176.438 174.600 -0.026 0.000 1.022 2169 S CA 0.805 58.974 58.200 -0.052 0.000 0.983 2169 S CB -0.151 62.978 63.200 -0.118 0.000 0.803 2169 S HN 0.073 nan 8.310 nan 0.000 0.480 2170 L N 2.572 123.788 121.223 -0.011 0.000 2.005 2170 L HA 0.090 4.431 4.340 0.001 0.000 0.207 2170 L C -0.509 176.337 176.870 -0.039 0.000 1.072 2170 L CA 1.701 56.537 54.840 -0.007 0.000 0.744 2170 L CB -1.581 40.497 42.059 0.031 0.000 0.895 2170 L HN 0.258 nan 8.230 nan 0.000 0.433 2171 P HA -0.105 nan 4.420 nan 0.000 0.221 2171 P C 2.062 179.290 177.300 -0.120 0.000 1.150 2171 P CA 1.408 64.465 63.100 -0.072 0.000 0.800 2171 P CB 0.107 31.782 31.700 -0.043 0.000 0.787 2172 I N -0.801 119.721 120.570 -0.079 0.000 2.179 2172 I HA -0.209 3.962 4.170 0.001 0.000 0.242 2172 I C 2.681 178.608 176.117 -0.318 0.000 1.088 2172 I CA 1.585 62.807 61.300 -0.130 0.000 1.357 2172 I CB -0.614 37.437 38.000 0.085 0.000 1.051 2172 I HN -0.151 nan 8.210 nan 0.000 0.409 2173 M N 0.090 119.625 119.600 -0.108 0.000 2.296 2173 M HA -0.162 4.318 4.480 0.001 0.000 0.265 2173 M C 2.167 178.395 176.300 -0.120 0.000 1.064 2173 M CA 1.163 56.462 55.300 -0.002 0.000 1.109 2173 M CB -0.321 32.325 32.600 0.077 0.000 1.396 2173 M HN -0.001 nan 8.290 nan 0.000 0.430 2174 K N 1.194 121.493 120.400 -0.169 0.000 2.281 2174 K HA -0.153 4.168 4.320 0.001 0.000 0.203 2174 K C 1.589 178.031 176.600 -0.264 0.000 1.046 2174 K CA 1.511 57.704 56.287 -0.157 0.000 0.938 2174 K CB -0.254 32.171 32.500 -0.125 0.000 0.737 2174 K HN 0.427 nan 8.250 nan 0.000 0.458 2175 Q N -1.552 117.915 119.800 -0.556 0.000 2.291 2175 Q HA -0.140 4.201 4.340 0.001 0.000 0.206 2175 Q C 0.779 176.397 176.000 -0.637 0.000 0.976 2175 Q CA 1.181 56.524 55.803 -0.766 0.000 0.875 2175 Q CB 0.007 27.927 28.738 -1.364 0.000 0.927 2175 Q HN 0.449 nan 8.270 nan 0.000 0.450 2176 W N -1.855 119.451 121.300 0.010 0.000 2.782 2176 W HA 0.570 5.231 4.660 0.001 0.000 0.268 2176 W C 0.319 176.826 176.519 -0.019 0.000 1.043 2176 W CA 0.097 57.444 57.345 0.002 0.000 1.387 2176 W CB 0.523 29.991 29.460 0.012 0.000 0.904 2176 W HN -0.118 nan 8.180 nan 0.000 0.625 2177 A N 0.624 123.529 122.820 0.141 0.000 2.581 2177 A HA 0.568 4.889 4.320 0.001 0.000 0.290 2177 A C -0.792 176.787 177.584 -0.007 0.000 1.119 2177 A CA -0.811 51.255 52.037 0.049 0.000 0.670 2177 A CB 1.024 20.066 19.000 0.070 0.000 1.280 2177 A HN -0.111 nan 8.150 nan 0.000 0.425 2178 K N 0.345 120.701 120.400 -0.074 0.000 2.350 2178 K HA 0.476 4.797 4.320 0.001 0.000 0.279 2178 K C -0.926 175.734 176.600 0.100 0.000 1.027 2178 K CA -0.082 56.193 56.287 -0.020 0.000 0.969 2178 K CB 1.052 33.482 32.500 -0.117 0.000 0.954 2178 K HN 0.359 nan 8.250 nan 0.000 0.474 2179 V N 4.954 124.925 119.914 0.096 0.000 2.459 2179 V HA 0.343 4.464 4.120 0.001 0.000 0.295 2179 V C -0.177 175.968 176.094 0.085 0.000 1.029 2179 V CA -0.908 61.443 62.300 0.086 0.000 0.874 2179 V CB 1.445 33.292 31.823 0.040 0.000 0.985 2179 V HN 0.581 nan 8.190 nan 0.000 0.438 2180 I N 4.155 124.766 120.570 0.068 0.000 2.493 2180 I HA 0.371 4.542 4.170 0.001 0.000 0.298 2180 I C -0.738 175.423 176.117 0.073 0.000 0.998 2180 I CA -0.818 60.497 61.300 0.026 0.000 1.137 2180 I CB 1.667 39.641 38.000 -0.043 0.000 1.310 2180 I HN 0.671 nan 8.210 nan 0.000 0.445 2181 Y N 4.960 125.260 120.300 -0.000 0.000 2.335 2181 Y HA 0.303 4.853 4.550 0.001 0.000 0.339 2181 Y C 0.005 175.931 175.900 0.042 0.000 0.987 2181 Y CA -0.842 57.268 58.100 0.017 0.000 1.140 2181 Y CB 0.750 39.266 38.460 0.095 0.000 1.173 2181 Y HN 0.517 nan 8.280 nan 0.000 0.486 2182 D N 5.082 125.053 120.400 -0.715 0.000 2.352 2182 D HA 0.231 4.872 4.640 0.001 0.000 0.245 2182 D C 0.503 176.274 176.300 -0.882 0.000 1.224 2182 D CA 0.324 53.975 54.000 -0.582 0.000 0.879 2182 D CB 1.340 41.788 40.800 -0.586 0.000 1.057 2182 D HN 0.773 nan 8.370 nan 0.000 0.491 2183 A N 2.981 125.503 122.820 -0.497 0.000 2.067 2183 A HA -0.051 4.269 4.320 0.001 0.000 0.217 2183 A C 1.828 179.368 177.584 -0.073 0.000 1.156 2183 A CA 1.560 53.451 52.037 -0.243 0.000 0.683 2183 A CB -0.162 18.905 19.000 0.112 0.000 0.808 2183 A HN 0.631 nan 8.150 nan 0.000 0.455 2184 T N -4.056 110.438 114.554 -0.101 0.000 3.046 2184 T HA 0.063 4.414 4.350 0.001 0.000 0.242 2184 T C 1.591 176.192 174.700 -0.164 0.000 1.018 2184 T CA 1.013 63.039 62.100 -0.123 0.000 1.131 2184 T CB -0.554 68.210 68.868 -0.173 0.000 0.904 2184 T HN 0.553 nan 8.240 nan 0.000 0.459 2185 H N 1.256 120.301 119.070 -0.042 0.000 2.529 2185 H HA 0.308 4.865 4.556 0.001 0.000 0.277 2185 H C 2.342 177.623 175.328 -0.079 0.000 0.999 2185 H CA 0.874 56.878 56.048 -0.073 0.000 1.256 2185 H CB 0.021 29.694 29.762 -0.147 0.000 1.402 2185 H HN 0.271 nan 8.280 nan 0.000 0.566 2186 S N 0.223 115.916 115.700 -0.010 0.000 2.447 2186 S HA -0.090 4.381 4.470 0.001 0.000 0.233 2186 S C 1.891 176.527 174.600 0.058 0.000 1.006 2186 S CA 1.157 59.354 58.200 -0.005 0.000 0.957 2186 S CB 0.014 63.204 63.200 -0.017 0.000 0.773 2186 S HN 0.471 nan 8.310 nan 0.000 0.507 2187 V N -1.233 118.734 119.914 0.089 0.000 3.528 2187 V HA 0.327 4.447 4.120 0.001 0.000 0.294 2187 V C 0.145 176.314 176.094 0.125 0.000 1.404 2187 V CA -0.439 61.942 62.300 0.135 0.000 1.065 2187 V CB -0.452 31.500 31.823 0.216 0.000 0.904 2187 V HN 0.214 nan 8.190 nan 0.000 0.435 2188 Q N 1.211 121.069 119.800 0.096 0.000 2.394 2188 Q HA 0.542 4.883 4.340 0.001 0.000 0.248 2188 Q C -0.741 175.319 176.000 0.100 0.000 0.992 2188 Q CA -0.055 55.806 55.803 0.097 0.000 0.888 2188 Q CB 1.660 30.458 28.738 0.101 0.000 1.257 2188 Q HN 0.490 nan 8.270 nan 0.000 0.462 2189 L N 4.112 125.395 121.223 0.100 0.000 2.272 2189 L HA 0.352 4.693 4.340 0.001 0.000 0.284 2189 L C -2.139 174.789 176.870 0.097 0.000 1.045 2189 L CA -2.250 52.651 54.840 0.102 0.000 0.842 2189 L CB 0.513 42.632 42.059 0.101 0.000 1.224 2189 L HN 0.320 nan 8.230 nan 0.000 0.430 2190 P HA 0.182 nan 4.420 nan 0.000 0.267 2190 P C 0.507 177.865 177.300 0.096 0.000 1.205 2190 P CA 0.495 63.661 63.100 0.110 0.000 0.765 2190 P CB 0.939 32.721 31.700 0.138 0.000 0.828 2200 M N 0.583 120.248 119.600 0.109 0.000 2.463 2200 M HA 0.248 4.728 4.480 0.001 0.000 0.201 2200 M C 2.290 178.643 176.300 0.087 0.000 1.799 2200 M CA -0.236 55.175 55.300 0.186 0.000 1.094 2200 M CB 0.349 33.025 32.600 0.126 0.000 1.408 2200 M HN 0.510 nan 8.290 nan 0.000 0.581 2201 R N 1.822 122.323 120.500 0.002 0.000 2.105 2201 R HA -0.182 4.159 4.340 0.001 0.000 0.239 2201 R C 1.881 178.142 176.300 -0.065 0.000 1.135 2201 R CA 2.288 58.380 56.100 -0.013 0.000 0.967 2201 R CB -0.216 30.069 30.300 -0.025 0.000 0.861 2201 R HN 0.540 nan 8.270 nan 0.000 0.442 2202 E N -0.624 119.437 120.200 -0.232 0.000 2.267 2202 E HA -0.201 4.150 4.350 0.001 0.000 0.197 2202 E C 0.844 177.238 176.600 -0.343 0.000 0.998 2202 E CA 1.038 57.225 56.400 -0.355 0.000 0.830 2202 E CB -0.205 29.145 29.700 -0.583 0.000 0.751 2202 E HN 0.403 nan 8.360 nan 0.000 0.491 2203 F N 0.608 120.613 119.950 0.090 0.000 2.749 2203 F HA 0.308 4.836 4.527 0.001 0.000 0.300 2203 F C 1.832 177.722 175.800 0.150 0.000 1.103 2203 F CA -0.452 57.611 58.000 0.105 0.000 1.342 2203 F CB -0.087 38.970 39.000 0.094 0.000 1.098 2203 F HN -0.056 nan 8.300 nan 0.000 0.586 2204 I N -0.500 120.230 120.570 0.268 0.000 2.127 2204 I HA -0.359 3.812 4.170 0.001 0.000 0.241 2204 I C 2.537 178.863 176.117 0.349 0.000 1.075 2204 I CA 1.842 63.299 61.300 0.263 0.000 1.334 2204 I CB -0.491 37.602 38.000 0.155 0.000 1.040 2204 I HN 0.136 nan 8.210 nan 0.000 0.405 2205 F N 2.052 122.070 119.950 0.113 0.000 2.113 2205 F HA -0.133 4.395 4.527 0.001 0.000 0.297 2205 F C -0.415 175.444 175.800 0.099 0.000 1.103 2205 F CA 0.947 59.003 58.000 0.093 0.000 1.248 2205 F CB -0.996 38.035 39.000 0.052 0.000 0.999 2205 F HN 0.024 nan 8.300 nan 0.000 0.475 2206 P HA -0.199 nan 4.420 nan 0.000 0.215 2206 P C 1.804 179.135 177.300 0.052 0.000 1.153 2206 P CA 1.598 64.700 63.100 0.003 0.000 0.853 2206 P CB -0.175 31.581 31.700 0.092 0.000 0.788 2207 L N -1.632 119.706 121.223 0.192 0.000 2.217 2207 L HA -0.075 4.266 4.340 0.001 0.000 0.211 2207 L C 2.495 179.452 176.870 0.144 0.000 1.107 2207 L CA 0.937 55.896 54.840 0.199 0.000 0.783 2207 L CB -0.729 41.559 42.059 0.381 0.000 0.919 2207 L HN -0.078 nan 8.230 nan 0.000 0.442 2208 I N -0.121 120.637 120.570 0.314 0.000 2.208 2208 I HA -0.318 3.853 4.170 0.001 0.000 0.245 2208 I C 2.799 179.002 176.117 0.144 0.000 1.097 2208 I CA 1.365 62.864 61.300 0.332 0.000 1.363 2208 I CB -0.267 37.992 38.000 0.431 0.000 1.051 2208 I HN 0.233 nan 8.210 nan 0.000 0.413 2209 R N 0.641 121.187 120.500 0.076 0.000 2.081 2209 R HA -0.161 4.180 4.340 0.001 0.000 0.235 2209 R C 2.463 178.678 176.300 -0.142 0.000 1.131 2209 R CA 1.509 57.580 56.100 -0.049 0.000 0.960 2209 R CB -0.591 29.600 30.300 -0.182 0.000 0.856 2209 R HN 0.379 nan 8.270 nan 0.000 0.436 2210 A N 1.605 124.268 122.820 -0.262 0.000 1.883 2210 A HA -0.191 4.130 4.320 0.001 0.000 0.217 2210 A C 2.451 179.723 177.584 -0.520 0.000 1.186 2210 A CA 1.918 53.633 52.037 -0.537 0.000 0.624 2210 A CB -0.797 17.628 19.000 -0.958 0.000 0.822 2210 A HN 0.417 nan 8.150 nan 0.000 0.444 2211 A N -0.675 121.932 122.820 -0.356 0.000 1.892 2211 A HA -0.073 4.248 4.320 0.001 0.000 0.218 2211 A C 2.220 179.789 177.584 -0.024 0.000 1.188 2211 A CA 2.097 54.058 52.037 -0.127 0.000 0.631 2211 A CB -0.991 17.885 19.000 -0.206 0.000 0.822 2211 A HN 0.517 nan 8.150 nan 0.000 0.447 2212 V N -0.483 119.442 119.914 0.019 0.000 2.548 2212 V HA -0.135 3.986 4.120 0.001 0.000 0.249 2212 V C 2.943 179.103 176.094 0.110 0.000 1.055 2212 V CA 1.608 63.956 62.300 0.081 0.000 1.065 2212 V CB -1.139 30.721 31.823 0.062 0.000 0.681 2212 V HN 0.614 nan 8.190 nan 0.000 0.462 2213 A N -0.013 122.817 122.820 0.017 0.000 1.930 2213 A HA -0.109 4.211 4.320 0.001 0.000 0.217 2213 A C 2.377 180.019 177.584 0.095 0.000 1.175 2213 A CA 1.870 53.937 52.037 0.050 0.000 0.627 2213 A CB -0.524 18.433 19.000 -0.071 0.000 0.815 2213 A HN 0.327 nan 8.150 nan 0.000 0.443 2214 V N -0.860 119.023 119.914 -0.051 0.000 2.307 2214 V HA 0.258 4.379 4.120 0.001 0.000 0.245 2214 V C 1.344 177.318 176.094 -0.200 0.000 1.045 2214 V CA 1.403 63.661 62.300 -0.069 0.000 1.024 2214 V CB -1.274 30.504 31.823 -0.076 0.000 0.651 2214 V HN 1.275 nan 8.190 nan 0.000 0.449 2215 G N -0.468 108.128 108.800 -0.340 0.000 3.313 2215 G HA2 0.118 4.079 3.960 0.001 0.000 0.659 2215 G HA3 0.118 4.079 3.960 0.001 0.000 0.659 2215 G C -0.788 173.890 174.900 -0.369 0.000 1.286 2215 G CA -0.659 43.903 45.100 -0.897 0.000 1.077 2215 G HN 1.016 nan 8.290 nan 0.000 0.551 2216 C N 0.356 119.566 119.300 -0.150 0.000 3.285 2216 C HA 0.876 5.336 4.460 0.001 0.000 0.320 2216 C C 0.645 175.721 174.990 0.143 0.000 1.411 2216 C CA -0.534 58.502 59.018 0.030 0.000 1.429 2216 C CB 1.869 29.682 27.740 0.122 0.000 1.812 2216 C HN 0.642 nan 8.230 nan 0.000 0.454 2217 D N 0.243 120.687 120.400 0.072 0.000 2.354 2217 D HA 0.377 5.017 4.640 0.001 0.000 0.209 2217 D C 0.801 176.914 176.300 -0.311 0.000 1.015 2217 D CA 1.442 55.466 54.000 0.040 0.000 0.867 2217 D CB 0.906 41.751 40.800 0.075 0.000 0.933 2217 D HN 1.056 nan 8.370 nan 0.000 0.520 2218 G N 0.008 108.534 108.800 -0.458 0.000 2.451 2218 G HA2 0.416 4.377 3.960 0.001 0.000 0.292 2218 G HA3 0.416 4.377 3.960 0.001 0.000 0.292 2218 G C -1.479 173.192 174.900 -0.381 0.000 1.427 2218 G CA -0.409 44.108 45.100 -0.972 0.000 0.792 2218 G HN 0.033 nan 8.290 nan 0.000 0.498 2219 V N -2.168 117.569 119.914 -0.296 0.000 2.914 2219 V HA 0.901 5.022 4.120 0.001 0.000 0.314 2219 V C -1.130 174.970 176.094 0.011 0.000 1.084 2219 V CA -1.236 61.084 62.300 0.033 0.000 0.963 2219 V CB 1.871 33.818 31.823 0.207 0.000 1.025 2219 V HN 1.258 nan 8.190 nan 0.000 0.432 2220 F N 4.975 124.842 119.950 -0.138 0.000 2.467 2220 F HA 0.882 5.409 4.527 0.001 0.000 0.336 2220 F C -0.545 175.167 175.800 -0.147 0.000 1.123 2220 F CA -1.176 56.730 58.000 -0.157 0.000 0.964 2220 F CB 1.879 40.776 39.000 -0.171 0.000 1.136 2220 F HN 0.839 nan 8.300 nan 0.000 0.447 2221 M N 5.723 125.134 119.600 -0.316 0.000 2.271 2221 M HA 0.379 4.860 4.480 0.001 0.000 0.285 2221 M C -1.641 174.444 176.300 -0.359 0.000 1.059 2221 M CA -0.190 54.987 55.300 -0.204 0.000 0.940 2221 M CB 1.830 34.371 32.600 -0.098 0.000 1.636 2221 M HN 0.656 nan 8.290 nan 0.000 0.460 2222 E N 1.918 121.948 120.200 -0.283 0.000 2.343 2222 E HA 0.478 4.829 4.350 0.001 0.000 0.269 2222 E C -0.896 175.610 176.600 -0.157 0.000 1.047 2222 E CA -0.298 55.948 56.400 -0.257 0.000 0.874 2222 E CB 1.811 31.398 29.700 -0.188 0.000 1.033 2222 E HN 0.605 nan 8.360 nan 0.000 0.409 2223 T N 1.724 116.200 114.554 -0.130 0.000 2.923 2223 T HA 0.246 4.597 4.350 0.001 0.000 0.311 2223 T C -1.893 172.810 174.700 0.006 0.000 1.183 2223 T CA -0.637 61.426 62.100 -0.062 0.000 1.020 2223 T CB 1.197 70.014 68.868 -0.084 0.000 1.165 2223 T HN 0.454 nan 8.240 nan 0.000 0.482 2224 H N 3.450 122.482 119.070 -0.064 0.000 2.954 2224 H HA 0.347 4.904 4.556 0.001 0.000 0.361 2224 H C -2.504 172.806 175.328 -0.030 0.000 1.122 2224 H CA -1.616 54.408 56.048 -0.040 0.000 1.217 2224 H CB 2.762 32.502 29.762 -0.038 0.000 1.776 2224 H HN 0.326 nan 8.280 nan 0.000 0.533 2225 P HA -0.079 nan 4.420 nan 0.000 0.218 2225 P C -0.629 176.765 177.300 0.157 0.000 1.148 2225 P CA 1.390 64.507 63.100 0.029 0.000 0.822 2225 P CB 0.438 32.105 31.700 -0.056 0.000 0.784 2226 E N -2.273 118.174 120.200 0.413 0.000 3.117 2226 E HA 0.150 4.501 4.350 0.001 0.000 0.262 2226 E C -2.221 174.390 176.600 0.019 0.000 1.202 2226 E CA -1.569 54.949 56.400 0.196 0.000 0.853 2226 E CB 1.066 30.844 29.700 0.130 0.000 1.426 2226 E HN 0.075 nan 8.360 nan 0.000 0.387 2227 P HA -0.293 nan 4.420 nan 0.000 0.217 2227 P C 1.475 178.643 177.300 -0.220 0.000 1.151 2227 P CA 1.241 64.211 63.100 -0.218 0.000 0.849 2227 P CB 0.221 31.871 31.700 -0.083 0.000 0.787 2228 E N 1.009 121.136 120.200 -0.121 0.000 2.209 2228 E HA -0.218 4.133 4.350 0.001 0.000 0.196 2228 E C 0.990 177.524 176.600 -0.109 0.000 0.993 2228 E CA 1.467 57.813 56.400 -0.090 0.000 0.819 2228 E CB -0.692 28.979 29.700 -0.049 0.000 0.745 2228 E HN 0.323 nan 8.360 nan 0.000 0.477 2229 K N 0.514 120.825 120.400 -0.148 0.000 2.358 2229 K HA 0.338 4.659 4.320 0.001 0.000 0.197 2229 K C 0.577 177.044 176.600 -0.222 0.000 1.025 2229 K CA 0.195 56.405 56.287 -0.129 0.000 1.104 2229 K CB 0.904 33.375 32.500 -0.048 0.000 0.855 2229 K HN 0.115 nan 8.250 nan 0.000 0.531 2230 A N 1.022 123.600 122.820 -0.403 0.000 2.425 2230 A HA 0.171 4.492 4.320 0.001 0.000 0.242 2230 A C 0.877 178.338 177.584 -0.206 0.000 1.077 2230 A CA -0.126 51.646 52.037 -0.442 0.000 0.781 2230 A CB 0.204 18.877 19.000 -0.545 0.000 1.020 2230 A HN 0.272 nan 8.150 nan 0.000 0.494 2231 L N 0.861 121.977 121.223 -0.177 0.000 2.585 2231 L HA 0.142 4.483 4.340 0.001 0.000 0.226 2231 L C 0.644 177.517 176.870 0.005 0.000 1.113 2231 L CA 0.696 55.439 54.840 -0.160 0.000 0.876 2231 L CB -0.380 41.373 42.059 -0.511 0.000 1.072 2231 L HN 0.813 nan 8.230 nan 0.000 0.468 2232 S N -2.985 112.728 115.700 0.021 0.000 2.550 2232 S HA 0.318 4.789 4.470 0.001 0.000 0.270 2232 S C -0.523 174.098 174.600 0.036 0.000 1.145 2232 S CA -0.819 57.424 58.200 0.072 0.000 0.852 2232 S CB 1.973 65.259 63.200 0.142 0.000 1.119 2232 S HN 0.126 nan 8.310 nan 0.000 0.465 2233 D N 0.557 120.986 120.400 0.048 0.000 2.692 2233 D HA -0.198 4.442 4.640 0.001 0.000 0.233 2233 D C 1.314 177.601 176.300 -0.022 0.000 1.172 2233 D CA 1.025 55.043 54.000 0.030 0.000 0.636 2233 D CB -1.240 39.591 40.800 0.051 0.000 1.028 2233 D HN 0.874 nan 8.370 nan 0.000 0.419 2234 A N 0.124 122.921 122.820 -0.040 0.000 1.978 2234 A HA -0.212 4.109 4.320 0.001 0.000 0.220 2234 A C 2.240 179.791 177.584 -0.054 0.000 1.170 2234 A CA 2.093 54.083 52.037 -0.080 0.000 0.636 2234 A CB -0.310 18.642 19.000 -0.079 0.000 0.810 2234 A HN 0.499 nan 8.150 nan 0.000 0.448 2235 S N -1.269 114.417 115.700 -0.022 0.000 2.522 2235 S HA -0.029 4.442 4.470 0.001 0.000 0.227 2235 S C 1.291 175.886 174.600 -0.009 0.000 0.986 2235 S CA 1.409 59.603 58.200 -0.010 0.000 0.929 2235 S CB -0.501 62.707 63.200 0.013 0.000 0.769 2235 S HN 0.794 nan 8.310 nan 0.000 0.529 2236 T N -2.422 112.119 114.554 -0.021 0.000 3.087 2236 T HA 0.278 4.629 4.350 0.001 0.000 0.283 2236 T C 0.186 174.854 174.700 -0.053 0.000 0.956 2236 T CA -0.518 61.566 62.100 -0.026 0.000 0.894 2236 T CB -0.148 68.703 68.868 -0.027 0.000 1.160 2236 T HN 0.292 nan 8.240 nan 0.000 0.532 2237 Q N 1.394 121.159 119.800 -0.058 0.000 2.364 2237 Q HA 0.407 4.748 4.340 0.001 0.000 0.267 2237 Q C -0.497 175.481 176.000 -0.037 0.000 0.999 2237 Q CA -0.089 55.681 55.803 -0.056 0.000 0.886 2237 Q CB 1.146 29.866 28.738 -0.031 0.000 1.243 2237 Q HN 0.449 nan 8.270 nan 0.000 0.415 2238 L N 4.603 125.801 121.223 -0.041 0.000 2.367 2238 L HA 0.216 4.556 4.340 0.001 0.000 0.275 2238 L C -2.080 174.779 176.870 -0.018 0.000 1.129 2238 L CA -2.040 52.778 54.840 -0.037 0.000 0.839 2238 L CB 0.415 42.440 42.059 -0.057 0.000 1.133 2238 L HN 0.317 nan 8.230 nan 0.000 0.453 2239 P HA -0.091 nan 4.420 nan 0.000 0.264 2239 P C 0.501 177.794 177.300 -0.012 0.000 1.193 2239 P CA -0.229 62.871 63.100 0.001 0.000 0.763 2239 P CB 0.582 32.278 31.700 -0.007 0.000 0.810 2240 L N 4.627 125.847 121.223 -0.004 0.000 2.043 2240 L HA -0.241 4.099 4.340 0.001 0.000 0.212 2240 L C 2.136 178.991 176.870 -0.026 0.000 1.075 2240 L CA 2.553 57.379 54.840 -0.024 0.000 0.752 2240 L CB -1.677 40.363 42.059 -0.030 0.000 0.891 2240 L HN 0.428 nan 8.230 nan 0.000 0.432 2241 S N -1.809 113.879 115.700 -0.020 0.000 2.442 2241 S HA -0.234 4.237 4.470 0.001 0.000 0.236 2241 S C 1.726 176.311 174.600 -0.025 0.000 1.007 2241 S CA 1.190 59.378 58.200 -0.019 0.000 0.965 2241 S CB -0.511 62.681 63.200 -0.013 0.000 0.773 2241 S HN 0.700 nan 8.310 nan 0.000 0.504 2242 Q N -0.236 119.540 119.800 -0.041 0.000 2.392 2242 Q HA 0.302 4.643 4.340 0.001 0.000 0.203 2242 Q C 1.773 177.718 176.000 -0.091 0.000 0.917 2242 Q CA 0.081 55.841 55.803 -0.072 0.000 0.939 2242 Q CB -0.107 28.575 28.738 -0.093 0.000 1.063 2242 Q HN 0.469 nan 8.270 nan 0.000 0.516 2243 L N 1.363 122.553 121.223 -0.056 0.000 2.017 2243 L HA -0.192 4.148 4.340 0.001 0.000 0.208 2243 L C 2.213 179.078 176.870 -0.008 0.000 1.073 2243 L CA 1.925 56.738 54.840 -0.044 0.000 0.745 2243 L CB -0.332 41.717 42.059 -0.015 0.000 0.894 2243 L HN 0.201 nan 8.230 nan 0.000 0.432 2244 E N -0.901 119.326 120.200 0.046 0.000 2.070 2244 E HA -0.234 4.117 4.350 0.001 0.000 0.197 2244 E C 2.048 178.706 176.600 0.095 0.000 1.004 2244 E CA 1.334 57.824 56.400 0.149 0.000 0.805 2244 E CB -0.499 29.294 29.700 0.155 0.000 0.744 2244 E HN 0.617 nan 8.360 nan 0.000 0.451 2245 G N 0.891 109.698 108.800 0.012 0.000 2.408 2245 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 2245 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 2245 G C 1.588 176.425 174.900 -0.105 0.000 1.150 2245 G CA 0.717 45.809 45.100 -0.014 0.000 0.776 2245 G HN 0.259 nan 8.290 nan 0.000 0.542 2246 I N 0.301 120.725 120.570 -0.244 0.000 2.353 2246 I HA -0.051 4.120 4.170 0.001 0.000 0.248 2246 I C 2.586 178.616 176.117 -0.144 0.000 1.119 2246 I CA 0.572 61.636 61.300 -0.392 0.000 1.417 2246 I CB -0.112 37.580 38.000 -0.513 0.000 1.078 2246 I HN 0.148 nan 8.210 nan 0.000 0.421 2247 I N 0.620 121.106 120.570 -0.141 0.000 2.179 2247 I HA -0.281 3.890 4.170 0.001 0.000 0.242 2247 I C 2.618 178.541 176.117 -0.324 0.000 1.088 2247 I CA 1.309 62.469 61.300 -0.234 0.000 1.357 2247 I CB -0.292 37.511 38.000 -0.329 0.000 1.051 2247 I HN 0.204 nan 8.210 nan 0.000 0.409 2248 E N 1.598 121.658 120.200 -0.233 0.000 2.085 2248 E HA -0.229 4.121 4.350 0.001 0.000 0.194 2248 E C 2.085 178.680 176.600 -0.009 0.000 0.994 2248 E CA 1.863 58.219 56.400 -0.073 0.000 0.801 2248 E CB -0.229 29.569 29.700 0.163 0.000 0.743 2248 E HN 0.410 nan 8.360 nan 0.000 0.453 2249 A N 0.697 123.550 122.820 0.056 0.000 1.883 2249 A HA -0.175 4.146 4.320 0.001 0.000 0.217 2249 A C 2.328 179.963 177.584 0.085 0.000 1.186 2249 A CA 2.137 54.261 52.037 0.145 0.000 0.624 2249 A CB -1.037 18.209 19.000 0.411 0.000 0.822 2249 A HN 0.518 nan 8.150 nan 0.000 0.444 2250 I N -2.319 118.286 120.570 0.058 0.000 2.546 2250 I HA -0.105 4.066 4.170 0.001 0.000 0.255 2250 I C 2.007 178.037 176.117 -0.145 0.000 1.163 2250 I CA 1.233 62.534 61.300 0.001 0.000 1.457 2250 I CB -0.436 37.585 38.000 0.035 0.000 1.092 2250 I HN 0.213 nan 8.210 nan 0.000 0.434 2251 L N 0.648 121.765 121.223 -0.177 0.000 2.056 2251 L HA -0.115 4.225 4.340 0.001 0.000 0.207 2251 L C 2.671 179.470 176.870 -0.118 0.000 1.078 2251 L CA 1.519 56.234 54.840 -0.208 0.000 0.749 2251 L CB -0.731 41.224 42.059 -0.173 0.000 0.901 2251 L HN 0.295 nan 8.230 nan 0.000 0.433 2252 E N 0.448 120.614 120.200 -0.057 0.000 2.051 2252 E HA -0.224 4.127 4.350 0.001 0.000 0.192 2252 E C 2.257 178.831 176.600 -0.042 0.000 0.991 2252 E CA 1.353 57.736 56.400 -0.029 0.000 0.799 2252 E CB -0.132 29.571 29.700 0.006 0.000 0.748 2252 E HN 0.452 nan 8.360 nan 0.000 0.449 2253 I N 0.732 121.279 120.570 -0.038 0.000 2.226 2253 I HA -0.269 3.902 4.170 0.001 0.000 0.245 2253 I C 2.743 178.831 176.117 -0.049 0.000 1.100 2253 I CA 1.024 62.303 61.300 -0.035 0.000 1.374 2253 I CB -0.262 37.725 38.000 -0.023 0.000 1.057 2253 I HN 0.039 nan 8.210 nan 0.000 0.413 2254 R N 1.033 121.483 120.500 -0.084 0.000 2.091 2254 R HA -0.240 4.101 4.340 0.001 0.000 0.238 2254 R C 2.356 178.570 176.300 -0.144 0.000 1.136 2254 R CA 1.688 57.730 56.100 -0.097 0.000 0.959 2254 R CB -0.265 29.892 30.300 -0.240 0.000 0.856 2254 R HN 0.275 nan 8.270 nan 0.000 0.437 2255 E N 0.278 120.402 120.200 -0.126 0.000 2.085 2255 E HA -0.156 4.195 4.350 0.001 0.000 0.194 2255 E C 1.850 178.368 176.600 -0.137 0.000 0.994 2255 E CA 1.717 58.045 56.400 -0.119 0.000 0.801 2255 E CB 0.016 29.670 29.700 -0.077 0.000 0.743 2255 E HN 0.288 nan 8.360 nan 0.000 0.453 2256 V N 0.937 120.791 119.914 -0.101 0.000 2.346 2256 V HA -0.128 3.992 4.120 0.001 0.000 0.244 2256 V C 2.544 178.582 176.094 -0.093 0.000 1.037 2256 V CA 1.605 63.859 62.300 -0.077 0.000 1.029 2256 V CB -0.785 31.025 31.823 -0.021 0.000 0.663 2256 V HN 0.326 nan 8.190 nan 0.000 0.454 2257 A N 0.826 123.593 122.820 -0.088 0.000 2.015 2257 A HA -0.153 4.168 4.320 0.001 0.000 0.219 2257 A C 2.455 179.773 177.584 -0.443 0.000 1.163 2257 A CA 1.773 53.783 52.037 -0.045 0.000 0.646 2257 A CB -0.629 18.415 19.000 0.073 0.000 0.806 2257 A HN 0.673 nan 8.150 nan 0.000 0.448 2258 S N 0.201 115.428 115.700 -0.789 0.000 2.474 2258 S HA -0.192 4.279 4.470 0.001 0.000 0.235 2258 S C 1.779 175.902 174.600 -0.795 0.000 0.997 2258 S CA 1.400 58.747 58.200 -1.422 0.000 0.949 2258 S CB -0.380 62.353 63.200 -0.778 0.000 0.766 2258 S HN 0.665 nan 8.310 nan 0.000 0.517 2259 K N 0.647 120.680 120.400 -0.611 0.000 2.160 2259 K HA -0.156 4.165 4.320 0.001 0.000 0.206 2259 K C 0.983 177.181 176.600 -0.669 0.000 1.047 2259 K CA 1.589 57.467 56.287 -0.681 0.000 0.930 2259 K CB -0.295 31.660 32.500 -0.909 0.000 0.720 2259 K HN 0.642 nan 8.250 nan 0.000 0.450 2260 Y N -0.973 119.219 120.300 -0.179 0.000 2.458 2260 Y HA 0.134 4.684 4.550 0.001 0.000 0.256 2260 Y C -0.234 175.721 175.900 0.091 0.000 1.159 2260 Y CA -1.120 56.956 58.100 -0.041 0.000 1.261 2260 Y CB 0.318 38.764 38.460 -0.024 0.000 1.119 2260 Y HN -0.132 nan 8.280 nan 0.000 0.524 2261 Y N 2.364 122.708 120.300 0.074 0.000 2.721 2261 Y HA 0.056 4.606 4.550 0.001 0.000 0.329 2261 Y C 0.589 176.508 175.900 0.033 0.000 1.211 2261 Y CA -0.979 57.150 58.100 0.048 0.000 1.512 2261 Y CB -0.191 38.285 38.460 0.027 0.000 1.249 2261 Y HN 0.126 nan 8.280 nan 0.000 0.549 2262 E N 0.680 120.991 120.200 0.185 0.000 2.366 2262 E HA 0.182 4.532 4.350 0.001 0.000 0.266 2262 E C -0.173 176.468 176.600 0.069 0.000 1.051 2262 E CA -0.187 56.273 56.400 0.099 0.000 0.884 2262 E CB 0.382 30.118 29.700 0.060 0.000 1.006 2262 E HN 0.419 nan 8.360 nan 0.000 0.417 2263 T N 3.744 118.326 114.554 0.046 0.000 2.779 2263 T HA 0.182 4.533 4.350 0.001 0.000 0.296 2263 T C 0.261 174.960 174.700 -0.001 0.000 0.938 2263 T CA -0.299 61.816 62.100 0.025 0.000 1.119 2263 T CB 0.051 68.931 68.868 0.020 0.000 0.891 2263 T HN 0.173 nan 8.240 nan 0.000 0.526 2264 I N 0.000 120.557 120.570 -0.021 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.264 61.300 -0.059 0.000 1.566 2264 I CB 0.000 37.941 38.000 -0.098 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494