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 2a21_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 0.000 176.686 176.600 0.144 0.000 0.988 2003 K CA 0.000 56.360 56.287 0.121 0.000 0.838 2003 K CB 0.000 32.564 32.500 0.106 0.000 1.064 2004 F N 2.017 121.972 119.950 0.009 0.000 2.538 2004 F HA 0.224 4.751 4.527 0.001 0.000 0.371 2004 F C -0.196 175.560 175.800 -0.073 0.000 1.087 2004 F CA -0.413 57.578 58.000 -0.014 0.000 1.250 2004 F CB 0.439 39.423 39.000 -0.026 0.000 1.110 2004 F HN 0.288 nan 8.300 nan 0.000 0.570 2005 L N 6.828 127.672 121.223 -0.632 0.000 2.292 2005 L HA 0.524 4.865 4.340 0.001 0.000 0.284 2005 L C -1.158 175.335 176.870 -0.628 0.000 1.065 2005 L CA -0.364 54.177 54.840 -0.499 0.000 0.806 2005 L CB 1.402 43.245 42.059 -0.360 0.000 1.175 2005 L HN 0.396 nan 8.230 nan 0.000 0.431 2006 V N 6.907 126.539 119.914 -0.470 0.000 2.409 2006 V HA 0.418 4.539 4.120 0.001 0.000 0.290 2006 V C -0.129 175.807 176.094 -0.263 0.000 1.017 2006 V CA -0.426 61.633 62.300 -0.401 0.000 0.841 2006 V CB 1.423 32.897 31.823 -0.582 0.000 1.003 2006 V HN 0.554 nan 8.190 nan 0.000 0.426 2007 I N 4.652 125.088 120.570 -0.223 0.000 2.312 2007 I HA 0.806 4.977 4.170 0.001 0.000 0.290 2007 I C 0.348 176.241 176.117 -0.372 0.000 1.008 2007 I CA -0.082 61.075 61.300 -0.237 0.000 1.226 2007 I CB 1.469 39.355 38.000 -0.189 0.000 1.371 2007 I HN 0.690 nan 8.210 nan 0.000 0.468 2008 A N 4.591 127.216 122.820 -0.325 0.000 2.594 2008 A HA 1.015 5.335 4.320 0.001 0.000 0.291 2008 A C -0.411 176.871 177.584 -0.504 0.000 1.105 2008 A CA -0.267 51.538 52.037 -0.386 0.000 0.694 2008 A CB 2.009 20.908 19.000 -0.168 0.000 1.291 2008 A HN 0.930 nan 8.150 nan 0.000 0.410 2009 G N -0.374 108.121 108.800 -0.508 0.000 2.352 2009 G HA2 0.486 4.446 3.960 0.001 0.000 0.302 2009 G HA3 0.486 4.446 3.960 0.001 0.000 0.302 2009 G C -3.569 171.102 174.900 -0.383 0.000 1.370 2009 G CA -0.215 44.493 45.100 -0.655 0.000 0.918 2009 G HN 0.737 nan 8.290 nan 0.000 0.610 2010 P HA 0.226 nan 4.420 nan 0.000 0.275 2010 P C 1.343 178.626 177.300 -0.028 0.000 1.227 2010 P CA 0.033 63.095 63.100 -0.062 0.000 0.781 2010 P CB 1.610 33.311 31.700 0.003 0.000 0.906 2011 C N 3.236 122.562 119.300 0.044 0.000 2.388 2011 C HA -0.030 4.430 4.460 0.001 0.000 0.277 2011 C C 1.292 176.359 174.990 0.129 0.000 1.210 2011 C CA 1.764 60.833 59.018 0.085 0.000 1.743 2011 C CB -1.362 26.444 27.740 0.110 0.000 2.047 2011 C HN 0.703 nan 8.230 nan 0.000 0.458 2012 A N -0.630 122.306 122.820 0.193 0.000 2.356 2012 A HA 0.705 5.026 4.320 0.001 0.000 0.323 2012 A C -0.380 177.395 177.584 0.319 0.000 1.119 2012 A CA -0.592 51.611 52.037 0.275 0.000 0.790 2012 A CB 0.485 19.748 19.000 0.440 0.000 1.273 2012 A HN 0.442 nan 8.150 nan 0.000 0.452 2013 I N 2.420 123.211 120.570 0.369 0.000 2.352 2013 I HA 0.021 4.192 4.170 0.001 0.000 0.303 2013 I C 0.830 177.263 176.117 0.526 0.000 1.194 2013 I CA 0.258 61.804 61.300 0.411 0.000 1.518 2013 I CB -0.152 38.118 38.000 0.449 0.000 1.489 2013 I HN 0.837 nan 8.210 nan 0.000 0.702 2014 E N 3.182 123.614 120.200 0.386 0.000 2.268 2014 E HA -0.066 4.285 4.350 0.001 0.000 0.195 2014 E C 0.388 177.175 176.600 0.312 0.000 0.995 2014 E CA 0.434 57.014 56.400 0.301 0.000 0.836 2014 E CB 0.087 29.826 29.700 0.066 0.000 0.763 2014 E HN 0.713 nan 8.360 nan 0.000 0.491 2015 S N -1.226 114.639 115.700 0.275 0.000 2.680 2015 S HA 0.047 4.518 4.470 0.001 0.000 0.284 2015 S C 0.142 174.882 174.600 0.233 0.000 1.055 2015 S CA -0.823 57.512 58.200 0.225 0.000 0.849 2015 S CB 1.325 64.591 63.200 0.111 0.000 1.068 2015 S HN 0.077 nan 8.310 nan 0.000 0.453 2016 E N 0.820 121.142 120.200 0.203 0.000 2.153 2016 E HA -0.209 4.142 4.350 0.001 0.000 0.194 2016 E C 1.588 178.219 176.600 0.051 0.000 0.988 2016 E CA 1.540 57.967 56.400 0.044 0.000 0.811 2016 E CB -0.117 29.523 29.700 -0.099 0.000 0.746 2016 E HN 0.735 nan 8.360 nan 0.000 0.466 2017 E N 0.214 120.451 120.200 0.062 0.000 2.058 2017 E HA -0.235 4.116 4.350 0.001 0.000 0.194 2017 E C 2.217 178.844 176.600 0.044 0.000 0.997 2017 E CA 1.209 57.635 56.400 0.044 0.000 0.801 2017 E CB -0.143 29.581 29.700 0.040 0.000 0.746 2017 E HN 0.286 nan 8.360 nan 0.000 0.450 2018 L N 1.077 122.331 121.223 0.052 0.000 2.042 2018 L HA -0.173 4.167 4.340 0.001 0.000 0.210 2018 L C 2.198 179.102 176.870 0.057 0.000 1.076 2018 L CA 1.596 56.447 54.840 0.018 0.000 0.749 2018 L CB -0.441 41.623 42.059 0.007 0.000 0.893 2018 L HN 0.244 nan 8.230 nan 0.000 0.432 2019 L N -1.222 120.077 121.223 0.127 0.000 2.083 2019 L HA -0.244 4.096 4.340 0.001 0.000 0.209 2019 L C 2.562 179.475 176.870 0.071 0.000 1.083 2019 L CA 1.349 56.310 54.840 0.203 0.000 0.752 2019 L CB -0.707 41.461 42.059 0.182 0.000 0.899 2019 L HN 0.348 nan 8.230 nan 0.000 0.433 2020 L N -0.130 121.134 121.223 0.069 0.000 2.056 2020 L HA -0.220 4.121 4.340 0.001 0.000 0.207 2020 L C 2.725 179.647 176.870 0.088 0.000 1.078 2020 L CA 1.344 56.273 54.840 0.148 0.000 0.749 2020 L CB -0.533 41.599 42.059 0.122 0.000 0.901 2020 L HN 0.259 nan 8.230 nan 0.000 0.433 2021 K N 0.219 120.640 120.400 0.036 0.000 2.057 2021 K HA -0.151 4.170 4.320 0.001 0.000 0.207 2021 K C 1.978 178.544 176.600 -0.058 0.000 1.049 2021 K CA 1.395 57.675 56.287 -0.011 0.000 0.931 2021 K CB 0.057 32.545 32.500 -0.019 0.000 0.714 2021 K HN 0.075 nan 8.250 nan 0.000 0.440 2022 V N 0.478 120.382 119.914 -0.016 0.000 2.453 2022 V HA -0.120 4.001 4.120 0.001 0.000 0.247 2022 V C 2.378 178.464 176.094 -0.012 0.000 1.048 2022 V CA 1.988 64.300 62.300 0.019 0.000 1.049 2022 V CB -0.706 31.189 31.823 0.122 0.000 0.672 2022 V HN 0.589 nan 8.190 nan 0.000 0.457 2023 G N -0.591 108.141 108.800 -0.113 0.000 2.432 2023 G HA2 -0.284 3.677 3.960 0.001 0.000 0.219 2023 G HA3 -0.284 3.677 3.960 0.001 0.000 0.219 2023 G C 1.511 175.742 174.900 -1.115 0.000 1.135 2023 G CA 0.956 45.730 45.100 -0.543 0.000 0.767 2023 G HN 0.587 nan 8.290 nan 0.000 0.550 2024 E N 0.151 119.781 120.200 -0.950 0.000 2.047 2024 E HA -0.154 4.197 4.350 0.001 0.000 0.191 2024 E C 2.292 178.632 176.600 -0.434 0.000 0.987 2024 E CA 1.258 57.185 56.400 -0.790 0.000 0.799 2024 E CB -0.098 29.440 29.700 -0.270 0.000 0.752 2024 E HN 0.367 nan 8.360 nan 0.000 0.449 2025 E N 0.898 120.929 120.200 -0.280 0.000 2.077 2025 E HA -0.142 4.209 4.350 0.001 0.000 0.193 2025 E C 1.930 178.396 176.600 -0.223 0.000 0.989 2025 E CA 1.246 57.535 56.400 -0.185 0.000 0.800 2025 E CB -0.266 29.366 29.700 -0.113 0.000 0.746 2025 E HN 0.409 nan 8.360 nan 0.000 0.452 2026 I N 0.171 120.594 120.570 -0.245 0.000 2.394 2026 I HA -0.205 3.966 4.170 0.001 0.000 0.251 2026 I C 2.198 178.056 176.117 -0.432 0.000 1.136 2026 I CA 0.971 62.095 61.300 -0.293 0.000 1.425 2026 I CB -0.242 37.705 38.000 -0.088 0.000 1.079 2026 I HN 0.072 nan 8.210 nan 0.000 0.425 2027 K N 1.620 121.781 120.400 -0.398 0.000 2.057 2027 K HA -0.181 4.140 4.320 0.001 0.000 0.206 2027 K C 2.196 178.648 176.600 -0.247 0.000 1.050 2027 K CA 1.468 57.570 56.287 -0.309 0.000 0.935 2027 K CB -0.302 32.003 32.500 -0.326 0.000 0.715 2027 K HN 0.079 nan 8.250 nan 0.000 0.439 2028 R N -0.295 120.066 120.500 -0.232 0.000 2.073 2028 R HA -0.102 4.239 4.340 0.001 0.000 0.234 2028 R C 1.915 178.110 176.300 -0.174 0.000 1.134 2028 R CA 1.508 57.511 56.100 -0.161 0.000 0.952 2028 R CB -0.331 29.893 30.300 -0.127 0.000 0.850 2028 R HN 0.144 nan 8.270 nan 0.000 0.433 2029 L N 0.540 121.626 121.223 -0.227 0.000 2.083 2029 L HA -0.110 4.231 4.340 0.001 0.000 0.209 2029 L C 2.493 179.220 176.870 -0.239 0.000 1.083 2029 L CA 1.736 56.499 54.840 -0.129 0.000 0.752 2029 L CB -0.942 41.021 42.059 -0.160 0.000 0.899 2029 L HN 0.191 nan 8.230 nan 0.000 0.433 2030 S N -0.998 114.325 115.700 -0.627 0.000 2.399 2030 S HA -0.164 4.307 4.470 0.001 0.000 0.231 2030 S C 1.864 176.465 174.600 0.003 0.000 1.022 2030 S CA 1.117 59.114 58.200 -0.339 0.000 0.983 2030 S CB -0.069 62.970 63.200 -0.269 0.000 0.803 2030 S HN 0.428 nan 8.310 nan 0.000 0.480 2031 E N 0.712 120.871 120.200 -0.068 0.000 2.299 2031 E HA 0.020 4.371 4.350 0.001 0.000 0.193 2031 E C 1.880 178.438 176.600 -0.069 0.000 0.998 2031 E CA 0.560 56.938 56.400 -0.037 0.000 0.851 2031 E CB -0.139 29.529 29.700 -0.054 0.000 0.795 2031 E HN 0.587 nan 8.360 nan 0.000 0.492 2032 K N -0.369 119.943 120.400 -0.147 0.000 2.262 2032 K HA 0.034 4.354 4.320 0.001 0.000 0.200 2032 K C -0.105 176.199 176.600 -0.494 0.000 1.049 2032 K CA 0.319 56.384 56.287 -0.371 0.000 0.979 2032 K CB 0.295 32.455 32.500 -0.568 0.000 0.773 2032 K HN -0.095 nan 8.250 nan 0.000 0.474 2033 F N 1.507 121.542 119.950 0.142 0.000 2.363 2033 F HA 0.314 4.842 4.527 0.001 0.000 0.366 2033 F C 0.553 176.485 175.800 0.219 0.000 1.083 2033 F CA -0.925 57.198 58.000 0.204 0.000 1.176 2033 F CB 1.470 40.660 39.000 0.318 0.000 1.432 2033 F HN -0.260 nan 8.300 nan 0.000 0.482 2034 K N 0.709 121.255 120.400 0.243 0.000 2.365 2034 K HA -0.037 4.283 4.320 0.001 0.000 0.199 2034 K C 1.132 177.844 176.600 0.188 0.000 1.045 2034 K CA 0.707 57.108 56.287 0.191 0.000 0.962 2034 K CB 0.180 32.746 32.500 0.111 0.000 0.759 2034 K HN 0.503 nan 8.250 nan 0.000 0.469 2035 E N 0.820 121.143 120.200 0.205 0.000 2.502 2035 E HA 0.019 4.369 4.350 0.001 0.000 0.194 2035 E C 0.060 176.758 176.600 0.163 0.000 1.062 2035 E CA 0.121 56.618 56.400 0.161 0.000 0.867 2035 E CB 0.247 30.033 29.700 0.144 0.000 0.888 2035 E HN -0.076 nan 8.360 nan 0.000 0.510 2036 V N 1.058 121.083 119.914 0.184 0.000 2.604 2036 V HA 0.200 4.321 4.120 0.001 0.000 0.305 2036 V C -0.079 176.037 176.094 0.037 0.000 1.043 2036 V CA -0.921 61.413 62.300 0.056 0.000 0.888 2036 V CB 2.520 34.257 31.823 -0.144 0.000 0.995 2036 V HN -0.033 nan 8.190 nan 0.000 0.429 2037 E N 3.314 123.480 120.200 -0.056 0.000 2.081 2037 E HA 0.424 4.774 4.350 0.001 0.000 0.281 2037 E C -1.507 175.032 176.600 -0.102 0.000 0.986 2037 E CA -0.450 55.956 56.400 0.010 0.000 0.796 2037 E CB 0.658 30.366 29.700 0.013 0.000 1.085 2037 E HN 0.501 nan 8.360 nan 0.000 0.398 2038 F N 3.032 123.006 119.950 0.040 0.000 2.394 2038 F HA 0.309 4.837 4.527 0.001 0.000 0.340 2038 F C 0.033 175.843 175.800 0.017 0.000 1.105 2038 F CA -0.541 57.470 58.000 0.019 0.000 1.124 2038 F CB 1.452 40.479 39.000 0.044 0.000 1.145 2038 F HN 0.133 nan 8.300 nan 0.000 0.505 2039 V N 4.464 124.466 119.914 0.146 0.000 2.483 2039 V HA 0.238 4.359 4.120 0.001 0.000 0.297 2039 V C -0.767 175.388 176.094 0.102 0.000 1.027 2039 V CA -1.036 61.322 62.300 0.096 0.000 0.855 2039 V CB 1.624 33.436 31.823 -0.018 0.000 0.995 2039 V HN 0.539 nan 8.190 nan 0.000 0.424 2040 F N 5.800 125.762 119.950 0.020 0.000 2.438 2040 F HA 0.537 5.065 4.527 0.001 0.000 0.356 2040 F C 0.240 176.029 175.800 -0.020 0.000 1.099 2040 F CA 0.228 58.225 58.000 -0.004 0.000 1.185 2040 F CB 0.520 39.530 39.000 0.016 0.000 1.115 2040 F HN 0.387 nan 8.300 nan 0.000 0.526 2041 K N 4.604 124.618 120.400 -0.643 0.000 2.371 2041 K HA 0.615 4.935 4.320 0.001 0.000 0.251 2041 K C -1.672 174.649 176.600 -0.466 0.000 0.934 2041 K CA -0.478 55.576 56.287 -0.389 0.000 0.798 2041 K CB 1.890 34.187 32.500 -0.340 0.000 1.204 2041 K HN 0.684 nan 8.250 nan 0.000 0.427 2042 S N 1.172 116.802 115.700 -0.117 0.000 2.579 2042 S HA 0.303 4.773 4.470 0.001 0.000 0.290 2042 S C -1.731 172.934 174.600 0.109 0.000 1.123 2042 S CA -0.536 57.666 58.200 0.003 0.000 0.894 2042 S CB 1.041 64.310 63.200 0.115 0.000 1.095 2042 S HN 0.507 nan 8.310 nan 0.000 0.450 2043 S N 3.467 119.226 115.700 0.098 0.000 2.499 2043 S HA 0.362 4.832 4.470 0.001 0.000 0.279 2043 S C 0.844 175.504 174.600 0.099 0.000 1.219 2043 S CA -0.584 57.636 58.200 0.033 0.000 1.062 2043 S CB 0.294 63.484 63.200 -0.017 0.000 0.978 2043 S HN 0.692 nan 8.310 nan 0.000 0.489 2044 F N 0.619 120.669 119.950 0.167 0.000 2.661 2044 F HA 0.412 4.940 4.527 0.001 0.000 0.298 2044 F C 0.390 176.251 175.800 0.101 0.000 1.137 2044 F CA -0.287 57.817 58.000 0.172 0.000 1.454 2044 F CB -0.052 39.047 39.000 0.165 0.000 1.103 2044 F HN 0.449 nan 8.300 nan 0.000 0.577 2045 D N 0.237 120.443 120.400 -0.323 0.000 2.937 2045 D HA 0.227 4.867 4.640 0.001 0.000 0.215 2045 D C -1.479 174.590 176.300 -0.385 0.000 1.274 2045 D CA -0.616 53.203 54.000 -0.301 0.000 0.869 2045 D CB 1.258 41.907 40.800 -0.253 0.000 1.675 2045 D HN -0.173 nan 8.370 nan 0.000 0.538 2046 K N 2.999 123.212 120.400 -0.312 0.000 2.231 2046 K HA 0.508 4.829 4.320 0.001 0.000 0.255 2046 K C 0.396 176.823 176.600 -0.288 0.000 1.108 2046 K CA -0.341 55.806 56.287 -0.233 0.000 0.997 2046 K CB 0.920 33.340 32.500 -0.133 0.000 1.549 2046 K HN 0.460 nan 8.250 nan 0.000 0.419 2047 A N 2.566 125.113 122.820 -0.455 0.000 2.206 2047 A HA -0.091 4.229 4.320 0.001 0.000 0.211 2047 A C 1.015 178.506 177.584 -0.155 0.000 1.158 2047 A CA 0.698 52.498 52.037 -0.395 0.000 0.761 2047 A CB -0.568 17.994 19.000 -0.731 0.000 0.801 2047 A HN 0.801 nan 8.150 nan 0.000 0.473 2048 N N -1.470 117.184 118.700 -0.077 0.000 2.365 2048 N HA 0.126 4.867 4.740 0.001 0.000 0.257 2048 N C -0.267 175.281 175.510 0.064 0.000 1.287 2048 N CA -0.745 52.339 53.050 0.055 0.000 0.882 2048 N CB 0.479 39.077 38.487 0.186 0.000 1.250 2048 N HN -0.065 nan 8.380 nan 0.000 0.507 2049 R N 0.644 121.146 120.500 0.003 0.000 2.756 2049 R HA 0.072 4.413 4.340 0.001 0.000 0.264 2049 R C 0.935 177.255 176.300 0.033 0.000 1.026 2049 R CA 0.089 56.201 56.100 0.020 0.000 1.121 2049 R CB 0.521 30.818 30.300 -0.004 0.000 0.999 2049 R HN 0.202 nan 8.270 nan 0.000 0.449 2050 S N 0.388 116.116 115.700 0.047 0.000 2.368 2050 S HA -0.093 4.378 4.470 0.001 0.000 0.224 2050 S C 1.029 175.632 174.600 0.005 0.000 1.029 2050 S CA 1.034 59.256 58.200 0.036 0.000 0.988 2050 S CB 0.045 63.273 63.200 0.047 0.000 0.838 2050 S HN 0.637 nan 8.310 nan 0.000 0.462 2051 S N 0.055 115.758 115.700 0.005 0.000 2.525 2051 S HA 0.385 4.855 4.470 0.001 0.000 0.290 2051 S C 0.693 175.251 174.600 -0.069 0.000 1.152 2051 S CA -0.700 57.487 58.200 -0.022 0.000 1.072 2051 S CB 0.978 64.194 63.200 0.027 0.000 1.027 2051 S HN 0.175 nan 8.310 nan 0.000 0.500 2052 I N 4.073 124.537 120.570 -0.176 0.000 2.614 2052 I HA 0.006 4.176 4.170 0.001 0.000 0.258 2052 I C 1.208 177.192 176.117 -0.222 0.000 1.189 2052 I CA 1.716 62.876 61.300 -0.234 0.000 1.462 2052 I CB -0.322 37.476 38.000 -0.338 0.000 1.092 2052 I HN 0.840 nan 8.210 nan 0.000 0.442 2053 H N -1.140 117.934 119.070 0.008 0.000 2.524 2053 H HA 0.322 4.879 4.556 0.001 0.000 0.280 2053 H C 0.859 176.205 175.328 0.030 0.000 1.018 2053 H CA -0.244 55.813 56.048 0.015 0.000 1.165 2053 H CB 0.126 29.898 29.762 0.016 0.000 1.411 2053 H HN 0.165 nan 8.280 nan 0.000 0.569 2054 S N 0.368 116.131 115.700 0.104 0.000 2.672 2054 S HA 0.132 4.602 4.470 0.001 0.000 0.276 2054 S C -0.352 174.314 174.600 0.111 0.000 1.207 2054 S CA -0.818 57.448 58.200 0.110 0.000 1.002 2054 S CB 0.856 64.105 63.200 0.081 0.000 0.998 2054 S HN 0.249 nan 8.310 nan 0.000 0.542 2055 F N 1.903 121.853 119.950 -0.000 0.000 2.543 2055 F HA 0.217 4.745 4.527 0.001 0.000 0.375 2055 F C 1.249 177.028 175.800 -0.036 0.000 1.075 2055 F CA 0.200 58.185 58.000 -0.025 0.000 1.225 2055 F CB 0.362 39.350 39.000 -0.019 0.000 1.099 2055 F HN 0.549 nan 8.300 nan 0.000 0.561 2056 R N 3.182 123.161 120.500 -0.869 0.000 2.164 2056 R HA 0.470 4.810 4.340 0.001 0.000 0.198 2056 R C 0.597 176.273 176.300 -1.040 0.000 1.028 2056 R CA 0.207 55.876 56.100 -0.718 0.000 1.083 2056 R CB 0.270 30.338 30.300 -0.387 0.000 1.026 2056 R HN 0.899 nan 8.270 nan 0.000 0.514 2057 G N -0.684 107.268 108.800 -1.415 0.000 2.350 2057 G HA2 -0.077 3.883 3.960 0.001 0.000 0.282 2057 G HA3 -0.077 3.883 3.960 0.001 0.000 0.282 2057 G C -1.114 173.472 174.900 -0.525 0.000 1.314 2057 G CA -0.819 43.763 45.100 -0.863 0.000 0.915 2057 G HN 0.296 nan 8.290 nan 0.000 0.499 2058 H N 0.168 119.231 119.070 -0.011 0.000 2.542 2058 H HA 0.520 5.077 4.556 0.001 0.000 0.283 2058 H C 1.114 176.471 175.328 0.048 0.000 1.059 2058 H CA 1.057 57.062 56.048 -0.072 0.000 1.162 2058 H CB 0.753 30.243 29.762 -0.453 0.000 1.539 2058 H HN 1.767 nan 8.280 nan 0.000 0.543 2059 G N 0.159 109.081 108.800 0.203 0.000 2.619 2059 G HA2 -0.214 3.747 3.960 0.001 0.000 0.686 2059 G HA3 -0.214 3.747 3.960 0.001 0.000 0.686 2059 G C 0.152 175.207 174.900 0.258 0.000 1.256 2059 G CA -0.313 44.925 45.100 0.231 0.000 0.826 2059 G HN 0.178 nan 8.290 nan 0.000 0.619 2060 L N 0.482 121.765 121.223 0.101 0.000 2.046 2060 L HA 0.098 4.438 4.340 0.001 0.000 0.208 2060 L C 2.564 179.340 176.870 -0.156 0.000 1.077 2060 L CA 3.068 57.701 54.840 -0.346 0.000 0.747 2060 L CB -0.891 40.886 42.059 -0.470 0.000 0.896 2060 L HN 0.810 nan 8.230 nan 0.000 0.432 2061 E N -1.482 118.725 120.200 0.011 0.000 2.031 2061 E HA -0.308 4.042 4.350 0.001 0.000 0.193 2061 E C 2.158 178.810 176.600 0.086 0.000 0.994 2061 E CA 1.805 58.229 56.400 0.039 0.000 0.800 2061 E CB -0.540 29.204 29.700 0.073 0.000 0.752 2061 E HN 0.623 nan 8.360 nan 0.000 0.447 2062 Y N 1.347 121.678 120.300 0.052 0.000 2.207 2062 Y HA -0.182 4.369 4.550 0.001 0.000 0.287 2062 Y C 2.263 178.217 175.900 0.089 0.000 1.156 2062 Y CA 1.711 59.855 58.100 0.073 0.000 1.182 2062 Y CB -0.403 38.130 38.460 0.122 0.000 0.979 2062 Y HN 0.007 nan 8.280 nan 0.000 0.521 2063 G N -0.714 108.270 108.800 0.307 0.000 2.414 2063 G HA2 -0.220 3.741 3.960 0.001 0.000 0.215 2063 G HA3 -0.220 3.741 3.960 0.001 0.000 0.215 2063 G C 1.643 176.608 174.900 0.109 0.000 1.188 2063 G CA 1.157 46.425 45.100 0.281 0.000 0.783 2063 G HN 0.327 nan 8.290 nan 0.000 0.537 2064 V N 0.832 120.750 119.914 0.006 0.000 2.490 2064 V HA -0.141 3.980 4.120 0.001 0.000 0.250 2064 V C 2.657 178.731 176.094 -0.032 0.000 1.061 2064 V CA 2.183 64.471 62.300 -0.020 0.000 1.064 2064 V CB -0.299 31.480 31.823 -0.073 0.000 0.670 2064 V HN 0.437 nan 8.190 nan 0.000 0.461 2065 K N 0.347 120.704 120.400 -0.072 0.000 2.001 2065 K HA -0.139 4.181 4.320 0.001 0.000 0.208 2065 K C 2.245 178.756 176.600 -0.147 0.000 1.048 2065 K CA 1.492 57.707 56.287 -0.120 0.000 0.932 2065 K CB -0.336 32.059 32.500 -0.174 0.000 0.715 2065 K HN 0.400 nan 8.250 nan 0.000 0.437 2066 A N 1.387 124.089 122.820 -0.197 0.000 1.902 2066 A HA -0.126 4.194 4.320 0.001 0.000 0.217 2066 A C 2.137 179.685 177.584 -0.059 0.000 1.181 2066 A CA 1.318 53.260 52.037 -0.158 0.000 0.623 2066 A CB -0.648 18.269 19.000 -0.138 0.000 0.818 2066 A HN 0.335 nan 8.150 nan 0.000 0.443 2067 L N -1.241 119.988 121.223 0.011 0.000 2.083 2067 L HA -0.165 4.175 4.340 0.001 0.000 0.209 2067 L C 2.784 179.644 176.870 -0.016 0.000 1.083 2067 L CA 1.690 56.557 54.840 0.044 0.000 0.752 2067 L CB -0.434 41.701 42.059 0.126 0.000 0.899 2067 L HN 0.468 nan 8.230 nan 0.000 0.433 2068 R N 0.538 121.020 120.500 -0.030 0.000 2.096 2068 R HA -0.222 4.119 4.340 0.001 0.000 0.235 2068 R C 2.302 178.554 176.300 -0.079 0.000 1.127 2068 R CA 1.435 57.509 56.100 -0.044 0.000 0.968 2068 R CB 0.012 30.285 30.300 -0.046 0.000 0.861 2068 R HN 0.012 nan 8.270 nan 0.000 0.440 2069 K N -0.051 120.287 120.400 -0.103 0.000 2.097 2069 K HA -0.064 4.257 4.320 0.001 0.000 0.206 2069 K C 1.750 178.246 176.600 -0.174 0.000 1.049 2069 K CA 1.428 57.632 56.287 -0.140 0.000 0.933 2069 K CB -0.222 32.193 32.500 -0.141 0.000 0.717 2069 K HN 0.057 nan 8.250 nan 0.000 0.442 2070 V N 1.065 120.889 119.914 -0.149 0.000 2.307 2070 V HA -0.221 3.900 4.120 0.001 0.000 0.245 2070 V C 2.410 178.460 176.094 -0.074 0.000 1.045 2070 V CA 2.091 64.309 62.300 -0.136 0.000 1.024 2070 V CB -0.470 31.111 31.823 -0.404 0.000 0.651 2070 V HN 0.426 nan 8.190 nan 0.000 0.449 2071 K N 0.216 120.574 120.400 -0.070 0.000 2.057 2071 K HA -0.216 4.105 4.320 0.001 0.000 0.207 2071 K C 2.061 178.631 176.600 -0.049 0.000 1.049 2071 K CA 1.911 58.184 56.287 -0.023 0.000 0.931 2071 K CB -0.111 32.387 32.500 -0.003 0.000 0.714 2071 K HN 0.596 nan 8.250 nan 0.000 0.440 2072 E N 0.241 120.385 120.200 -0.094 0.000 2.072 2072 E HA -0.185 4.165 4.350 0.001 0.000 0.190 2072 E C 1.980 178.471 176.600 -0.182 0.000 0.982 2072 E CA 1.069 57.402 56.400 -0.112 0.000 0.803 2072 E CB 0.047 29.681 29.700 -0.110 0.000 0.755 2072 E HN 0.426 nan 8.360 nan 0.000 0.453 2073 E N -0.370 119.639 120.200 -0.317 0.000 2.158 2073 E HA -0.103 4.248 4.350 0.001 0.000 0.191 2073 E C 0.853 177.044 176.600 -0.681 0.000 0.982 2073 E CA 0.748 56.803 56.400 -0.575 0.000 0.823 2073 E CB 0.227 29.403 29.700 -0.874 0.000 0.766 2073 E HN 0.169 nan 8.360 nan 0.000 0.468 2074 F N -1.259 118.633 119.950 -0.096 0.000 2.728 2074 F HA 0.361 4.888 4.527 0.001 0.000 0.314 2074 F C 1.234 176.999 175.800 -0.058 0.000 1.094 2074 F CA 0.329 58.278 58.000 -0.086 0.000 1.217 2074 F CB 1.114 40.042 39.000 -0.120 0.000 1.056 2074 F HN 0.053 nan 8.300 nan 0.000 0.577 2075 G N 1.895 110.741 108.800 0.076 0.000 2.221 2075 G HA2 -0.297 3.664 3.960 0.001 0.000 0.265 2075 G HA3 -0.297 3.664 3.960 0.001 0.000 0.265 2075 G C -0.105 174.845 174.900 0.084 0.000 1.041 2075 G CA 0.004 45.139 45.100 0.058 0.000 0.807 2075 G HN 0.294 nan 8.290 nan 0.000 0.502 2076 L N -0.421 120.862 121.223 0.101 0.000 2.325 2076 L HA 0.463 4.804 4.340 0.001 0.000 0.279 2076 L C 1.126 178.062 176.870 0.110 0.000 1.054 2076 L CA -0.975 53.932 54.840 0.113 0.000 0.804 2076 L CB 1.169 43.300 42.059 0.120 0.000 1.200 2076 L HN 0.032 nan 8.230 nan 0.000 0.436 2077 K N 2.311 122.785 120.400 0.122 0.000 2.276 2077 K HA 0.370 4.690 4.320 0.001 0.000 0.259 2077 K C -0.647 176.037 176.600 0.140 0.000 1.001 2077 K CA -0.272 56.079 56.287 0.108 0.000 0.927 2077 K CB 0.786 33.341 32.500 0.092 0.000 0.969 2077 K HN 0.298 nan 8.250 nan 0.000 0.490 2078 I N 0.692 121.335 120.570 0.122 0.000 2.785 2078 I HA 0.285 4.455 4.170 0.001 0.000 0.302 2078 I C -0.002 176.182 176.117 0.112 0.000 1.069 2078 I CA -0.403 60.992 61.300 0.158 0.000 1.045 2078 I CB 1.931 40.020 38.000 0.149 0.000 1.236 2078 I HN 0.569 nan 8.210 nan 0.000 0.429 2079 T N 2.704 117.327 114.554 0.115 0.000 3.041 2079 T HA 0.600 4.951 4.350 0.001 0.000 0.321 2079 T C -1.048 173.705 174.700 0.088 0.000 1.184 2079 T CA -0.202 61.942 62.100 0.073 0.000 1.050 2079 T CB 1.551 70.434 68.868 0.025 0.000 1.159 2079 T HN 0.852 nan 8.240 nan 0.000 0.469 2080 T N 2.391 116.998 114.554 0.088 0.000 2.821 2080 T HA 0.582 4.933 4.350 0.001 0.000 0.306 2080 T C -1.970 172.742 174.700 0.021 0.000 1.313 2080 T CA -0.706 61.451 62.100 0.095 0.000 1.012 2080 T CB 1.493 70.493 68.868 0.220 0.000 1.298 2080 T HN 0.789 nan 8.240 nan 0.000 0.502 2081 D N 2.353 122.700 120.400 -0.090 0.000 2.217 2081 D HA 0.530 5.170 4.640 0.001 0.000 0.248 2081 D C 0.239 176.255 176.300 -0.473 0.000 1.008 2081 D CA -0.656 53.196 54.000 -0.247 0.000 0.914 2081 D CB 1.105 41.739 40.800 -0.276 0.000 1.182 2081 D HN 0.773 nan 8.370 nan 0.000 0.451 2082 I N -2.454 117.827 120.570 -0.482 0.000 2.750 2082 I HA 0.495 4.665 4.170 0.001 0.000 0.308 2082 I C -0.393 175.259 176.117 -0.775 0.000 1.016 2082 I CA -0.949 60.055 61.300 -0.495 0.000 1.098 2082 I CB 1.894 39.779 38.000 -0.193 0.000 1.279 2082 I HN 0.314 nan 8.210 nan 0.000 0.454 2083 H N 0.502 119.513 119.070 -0.099 0.000 3.255 2083 H HA 0.448 5.004 4.556 0.001 0.000 0.256 2083 H C -0.573 174.726 175.328 -0.048 0.000 1.049 2083 H CA -0.231 55.775 56.048 -0.071 0.000 1.202 2083 H CB 0.761 30.485 29.762 -0.064 0.000 1.497 2083 H HN 0.594 nan 8.280 nan 0.000 0.503 2084 E N -0.287 119.883 120.200 -0.051 0.000 2.356 2084 E HA 0.271 4.622 4.350 0.001 0.000 0.275 2084 E C 0.057 176.552 176.600 -0.176 0.000 0.904 2084 E CA -0.305 56.071 56.400 -0.040 0.000 0.757 2084 E CB 2.471 32.243 29.700 0.120 0.000 1.232 2084 E HN -0.023 nan 8.360 nan 0.000 0.442 2085 S N 1.595 117.290 115.700 -0.007 0.000 2.380 2085 S HA -0.192 4.279 4.470 0.001 0.000 0.229 2085 S C 1.596 176.205 174.600 0.016 0.000 1.043 2085 S CA 1.938 60.149 58.200 0.018 0.000 1.038 2085 S CB -0.297 62.961 63.200 0.096 0.000 0.872 2085 S HN 0.744 nan 8.310 nan 0.000 0.456 2086 W N 1.921 123.253 121.300 0.055 0.000 2.421 2086 W HA -0.103 4.558 4.660 0.001 0.000 0.270 2086 W C 1.254 177.802 176.519 0.047 0.000 1.233 2086 W CA 0.851 58.223 57.345 0.045 0.000 1.226 2086 W CB -0.904 28.581 29.460 0.042 0.000 1.121 2086 W HN 0.417 nan 8.180 nan 0.000 0.579 2087 Q N 0.928 120.275 119.800 -0.755 0.000 2.297 2087 Q HA -0.000 4.341 4.340 0.001 0.000 0.204 2087 Q C 2.696 178.551 176.000 -0.243 0.000 0.962 2087 Q CA 1.294 56.681 55.803 -0.693 0.000 0.879 2087 Q CB -0.335 27.928 28.738 -0.791 0.000 0.947 2087 Q HN 0.318 nan 8.270 nan 0.000 0.462 2088 A N 1.790 124.524 122.820 -0.144 0.000 1.873 2088 A HA -0.303 4.018 4.320 0.001 0.000 0.218 2088 A C 1.954 179.525 177.584 -0.023 0.000 1.193 2088 A CA 1.805 53.806 52.037 -0.059 0.000 0.629 2088 A CB -0.567 18.416 19.000 -0.027 0.000 0.826 2088 A HN 0.414 nan 8.150 nan 0.000 0.447 2089 E N -0.545 119.659 120.200 0.006 0.000 2.023 2089 E HA -0.168 4.182 4.350 0.001 0.000 0.196 2089 E C -0.453 176.156 176.600 0.015 0.000 1.003 2089 E CA 1.605 58.020 56.400 0.025 0.000 0.809 2089 E CB -0.613 29.119 29.700 0.054 0.000 0.755 2089 E HN 0.511 nan 8.360 nan 0.000 0.449 2090 P HA -0.125 nan 4.420 nan 0.000 0.217 2090 P C 1.587 178.865 177.300 -0.036 0.000 1.150 2090 P CA 1.083 64.183 63.100 -0.001 0.000 0.832 2090 P CB 0.008 31.719 31.700 0.017 0.000 0.787 2091 V N 0.968 120.847 119.914 -0.059 0.000 2.427 2091 V HA -0.167 3.954 4.120 0.001 0.000 0.248 2091 V C 2.810 178.906 176.094 0.004 0.000 1.051 2091 V CA 1.946 64.224 62.300 -0.037 0.000 1.048 2091 V CB -1.673 30.147 31.823 -0.004 0.000 0.666 2091 V HN 0.099 nan 8.190 nan 0.000 0.456 2092 A N -0.387 122.436 122.820 0.005 0.000 2.131 2092 A HA -0.182 4.139 4.320 0.001 0.000 0.220 2092 A C 2.091 179.685 177.584 0.017 0.000 1.158 2092 A CA 1.321 53.367 52.037 0.016 0.000 0.665 2092 A CB -0.336 18.673 19.000 0.015 0.000 0.795 2092 A HN 0.564 nan 8.150 nan 0.000 0.460 2093 E N -0.430 119.775 120.200 0.010 0.000 2.150 2093 E HA -0.092 4.259 4.350 0.001 0.000 0.193 2093 E C 1.701 178.308 176.600 0.012 0.000 0.985 2093 E CA 1.527 57.932 56.400 0.009 0.000 0.814 2093 E CB -0.148 29.553 29.700 0.002 0.000 0.752 2093 E HN 0.500 nan 8.360 nan 0.000 0.466 2094 V N 0.033 119.957 119.914 0.017 0.000 3.219 2094 V HA 0.227 4.347 4.120 0.001 0.000 0.240 2094 V C 0.863 176.984 176.094 0.046 0.000 1.222 2094 V CA 0.424 62.740 62.300 0.027 0.000 1.181 2094 V CB 0.286 32.124 31.823 0.024 0.000 0.941 2094 V HN 0.067 nan 8.190 nan 0.000 0.471 2095 A N 0.822 123.674 122.820 0.053 0.000 2.451 2095 A HA 0.178 4.498 4.320 0.001 0.000 0.266 2095 A C 0.940 178.557 177.584 0.056 0.000 1.119 2095 A CA 0.036 52.113 52.037 0.066 0.000 0.786 2095 A CB -0.102 18.940 19.000 0.071 0.000 1.061 2095 A HN 0.415 nan 8.150 nan 0.000 0.503 2096 D N 1.660 122.097 120.400 0.061 0.000 2.194 2096 D HA 0.044 4.685 4.640 0.001 0.000 0.204 2096 D C 0.171 176.506 176.300 0.059 0.000 0.964 2096 D CA 1.412 55.447 54.000 0.058 0.000 0.846 2096 D CB 0.246 41.082 40.800 0.061 0.000 0.962 2096 D HN 0.582 nan 8.370 nan 0.000 0.490 2097 I N 1.560 122.161 120.570 0.051 0.000 2.447 2097 I HA 0.265 4.436 4.170 0.001 0.000 0.287 2097 I C -0.384 175.756 176.117 0.039 0.000 1.023 2097 I CA -0.601 60.728 61.300 0.047 0.000 1.083 2097 I CB 2.666 40.664 38.000 -0.004 0.000 1.245 2097 I HN -0.298 nan 8.210 nan 0.000 0.434 2098 I N 5.729 126.323 120.570 0.040 0.000 2.342 2098 I HA 0.213 4.384 4.170 0.001 0.000 0.291 2098 I C 0.167 176.285 176.117 0.001 0.000 1.010 2098 I CA -0.226 61.086 61.300 0.020 0.000 1.308 2098 I CB 1.222 39.230 38.000 0.013 0.000 1.400 2098 I HN 0.598 nan 8.210 nan 0.000 0.488 2099 Q N 6.364 126.149 119.800 -0.025 0.000 2.241 2099 Q HA 0.421 4.761 4.340 0.001 0.000 0.254 2099 Q C -1.130 174.806 176.000 -0.107 0.000 0.917 2099 Q CA -0.724 55.045 55.803 -0.057 0.000 0.919 2099 Q CB 1.432 30.140 28.738 -0.050 0.000 1.237 2099 Q HN 0.475 nan 8.270 nan 0.000 0.434 2100 I N 6.347 126.856 120.570 -0.103 0.000 2.339 2100 I HA 0.350 4.520 4.170 0.001 0.000 0.290 2100 I C -2.194 173.837 176.117 -0.142 0.000 0.994 2100 I CA -2.652 58.581 61.300 -0.112 0.000 1.191 2100 I CB 0.934 38.897 38.000 -0.062 0.000 1.343 2100 I HN 0.519 nan 8.210 nan 0.000 0.458 2101 P HA 0.054 nan 4.420 nan 0.000 0.268 2101 P C 0.633 177.836 177.300 -0.163 0.000 1.208 2101 P CA 0.127 63.120 63.100 -0.180 0.000 0.777 2101 P CB 0.900 32.538 31.700 -0.104 0.000 0.875 2102 A N 2.401 125.050 122.820 -0.285 0.000 1.883 2102 A HA -0.214 4.107 4.320 0.001 0.000 0.217 2102 A C 1.672 179.255 177.584 -0.001 0.000 1.186 2102 A CA 1.756 53.637 52.037 -0.260 0.000 0.624 2102 A CB -1.602 17.148 19.000 -0.416 0.000 0.822 2102 A HN 0.505 nan 8.150 nan 0.000 0.444 2103 F N -0.221 119.758 119.950 0.048 0.000 2.365 2103 F HA 0.020 4.548 4.527 0.001 0.000 0.300 2103 F C 1.588 177.506 175.800 0.196 0.000 1.090 2103 F CA 0.404 58.529 58.000 0.209 0.000 1.408 2103 F CB -0.566 38.504 39.000 0.117 0.000 1.060 2103 F HN 0.104 nan 8.300 nan 0.000 0.534 2104 L N -0.425 120.958 121.223 0.267 0.000 2.700 2104 L HA 0.096 4.437 4.340 0.001 0.000 0.234 2104 L C 1.887 178.828 176.870 0.120 0.000 1.156 2104 L CA -0.061 54.879 54.840 0.166 0.000 0.946 2104 L CB -0.750 41.368 42.059 0.097 0.000 1.216 2104 L HN 0.233 nan 8.230 nan 0.000 0.493 2105 C N -1.403 117.978 119.300 0.135 0.000 2.449 2105 C HA 0.033 4.493 4.460 0.001 0.000 0.283 2105 C C 2.205 177.252 174.990 0.096 0.000 1.453 2105 C CA -0.104 58.955 59.018 0.068 0.000 1.779 2105 C CB -0.773 26.962 27.740 -0.010 0.000 1.779 2105 C HN 0.451 nan 8.230 nan 0.000 0.546 2106 R N 0.019 120.611 120.500 0.154 0.000 2.397 2106 R HA 0.170 4.510 4.340 0.001 0.000 0.241 2106 R C 0.159 176.496 176.300 0.062 0.000 0.914 2106 R CA 0.118 56.284 56.100 0.110 0.000 1.071 2106 R CB -0.138 30.245 30.300 0.140 0.000 1.116 2106 R HN 0.588 nan 8.270 nan 0.000 0.524 2107 Q N 1.336 121.174 119.800 0.063 0.000 2.381 2107 Q HA 0.082 4.422 4.340 0.001 0.000 0.243 2107 Q C 0.786 176.807 176.000 0.036 0.000 1.154 2107 Q CA 0.239 56.069 55.803 0.044 0.000 0.899 2107 Q CB 0.793 29.561 28.738 0.050 0.000 1.396 2107 Q HN 0.041 nan 8.270 nan 0.000 0.485 2108 T N 1.518 116.088 114.554 0.027 0.000 2.653 2108 T HA -0.186 4.164 4.350 0.001 0.000 0.268 2108 T C 0.910 175.635 174.700 0.041 0.000 1.035 2108 T CA 1.765 63.881 62.100 0.027 0.000 1.154 2108 T CB 0.084 68.959 68.868 0.012 0.000 0.862 2108 T HN 0.482 nan 8.240 nan 0.000 0.441 2109 D N 0.571 120.997 120.400 0.042 0.000 2.178 2109 D HA -0.015 4.626 4.640 0.001 0.000 0.201 2109 D C 2.012 178.339 176.300 0.045 0.000 0.980 2109 D CA 0.468 54.498 54.000 0.051 0.000 0.842 2109 D CB -0.359 40.474 40.800 0.055 0.000 0.948 2109 D HN 0.195 nan 8.370 nan 0.000 0.472 2110 L N 0.536 121.781 121.223 0.035 0.000 2.056 2110 L HA -0.059 4.282 4.340 0.001 0.000 0.207 2110 L C 2.212 179.090 176.870 0.014 0.000 1.078 2110 L CA 1.213 56.063 54.840 0.016 0.000 0.749 2110 L CB -0.465 41.599 42.059 0.009 0.000 0.901 2110 L HN -0.020 nan 8.230 nan 0.000 0.433 2111 L N -1.377 119.861 121.223 0.024 0.000 2.017 2111 L HA -0.247 4.094 4.340 0.001 0.000 0.208 2111 L C 2.485 179.380 176.870 0.042 0.000 1.073 2111 L CA 1.336 56.193 54.840 0.029 0.000 0.745 2111 L CB -0.607 41.473 42.059 0.034 0.000 0.894 2111 L HN 0.270 nan 8.230 nan 0.000 0.432 2112 L N -0.483 120.775 121.223 0.058 0.000 2.083 2112 L HA -0.189 4.152 4.340 0.001 0.000 0.209 2112 L C 2.873 179.772 176.870 0.049 0.000 1.083 2112 L CA 1.089 55.972 54.840 0.073 0.000 0.752 2112 L CB -0.732 41.388 42.059 0.101 0.000 0.899 2112 L HN 0.250 nan 8.230 nan 0.000 0.433 2113 A N 0.033 122.877 122.820 0.040 0.000 1.933 2113 A HA -0.159 4.162 4.320 0.001 0.000 0.218 2113 A C 2.522 180.116 177.584 0.018 0.000 1.175 2113 A CA 1.735 53.791 52.037 0.031 0.000 0.628 2113 A CB -0.613 18.403 19.000 0.026 0.000 0.814 2113 A HN 0.405 nan 8.150 nan 0.000 0.444 2114 A N -0.208 122.619 122.820 0.012 0.000 1.898 2114 A HA 0.227 4.548 4.320 0.001 0.000 0.216 2114 A C 2.496 180.091 177.584 0.019 0.000 1.181 2114 A CA 1.880 53.922 52.037 0.009 0.000 0.620 2114 A CB -0.985 18.017 19.000 0.003 0.000 0.819 2114 A HN 1.032 nan 8.150 nan 0.000 0.442 2115 A N -0.086 122.749 122.820 0.024 0.000 1.933 2115 A HA -0.169 4.151 4.320 0.001 0.000 0.218 2115 A C 2.107 179.698 177.584 0.012 0.000 1.175 2115 A CA 1.960 54.010 52.037 0.022 0.000 0.628 2115 A CB -0.459 18.559 19.000 0.029 0.000 0.814 2115 A HN 0.559 nan 8.150 nan 0.000 0.444 2116 K N 0.029 120.436 120.400 0.012 0.000 2.209 2116 K HA -0.159 4.162 4.320 0.001 0.000 0.204 2116 K C 1.940 178.545 176.600 0.008 0.000 1.048 2116 K CA 1.874 58.164 56.287 0.005 0.000 0.940 2116 K CB -0.354 32.154 32.500 0.012 0.000 0.729 2116 K HN 0.625 nan 8.250 nan 0.000 0.451 2117 T N -3.121 111.441 114.554 0.013 0.000 3.007 2117 T HA 0.023 4.373 4.350 0.001 0.000 0.270 2117 T C 1.498 176.207 174.700 0.015 0.000 1.107 2117 T CA 1.161 63.270 62.100 0.015 0.000 1.118 2117 T CB -0.317 68.561 68.868 0.017 0.000 0.889 2117 T HN 0.455 nan 8.240 nan 0.000 0.506 2118 G N 1.211 110.020 108.800 0.014 0.000 2.199 2118 G HA2 -0.237 3.724 3.960 0.001 0.000 0.254 2118 G HA3 -0.237 3.724 3.960 0.001 0.000 0.254 2118 G C 0.362 175.277 174.900 0.025 0.000 0.982 2118 G CA 0.000 45.109 45.100 0.015 0.000 0.632 2118 G HN 0.640 nan 8.290 nan 0.000 0.529 2119 R N 0.714 121.232 120.500 0.031 0.000 2.649 2119 R HA 0.708 5.048 4.340 0.001 0.000 0.270 2119 R C 0.893 177.228 176.300 0.058 0.000 1.105 2119 R CA 0.254 56.380 56.100 0.044 0.000 1.193 2119 R CB 0.016 30.341 30.300 0.042 0.000 1.120 2119 R HN 0.700 nan 8.270 nan 0.000 0.561 2120 A N 0.698 123.570 122.820 0.085 0.000 2.351 2120 A HA 0.430 4.750 4.320 0.001 0.000 0.257 2120 A C -0.347 177.315 177.584 0.129 0.000 1.087 2120 A CA -0.405 51.710 52.037 0.131 0.000 0.798 2120 A CB 0.626 19.762 19.000 0.227 0.000 1.033 2120 A HN 0.325 nan 8.150 nan 0.000 0.488 2121 V N 2.422 122.426 119.914 0.150 0.000 2.588 2121 V HA 0.358 4.479 4.120 0.001 0.000 0.304 2121 V C -0.068 176.137 176.094 0.185 0.000 1.042 2121 V CA -0.744 61.627 62.300 0.118 0.000 0.877 2121 V CB 1.655 33.519 31.823 0.068 0.000 0.996 2121 V HN 0.973 nan 8.190 nan 0.000 0.425 2122 N N 3.415 122.188 118.700 0.121 0.000 2.443 2122 N HA 0.560 5.301 4.740 0.001 0.000 0.269 2122 N C -1.369 174.149 175.510 0.014 0.000 0.985 2122 N CA -0.401 52.714 53.050 0.108 0.000 0.921 2122 N CB 1.817 40.305 38.487 0.002 0.000 1.195 2122 N HN 0.446 nan 8.380 nan 0.000 0.492 2123 V N 3.831 123.753 119.914 0.013 0.000 2.370 2123 V HA 0.271 4.392 4.120 0.001 0.000 0.279 2123 V C 0.187 176.221 176.094 -0.101 0.000 1.029 2123 V CA -0.787 61.487 62.300 -0.043 0.000 0.870 2123 V CB 1.185 32.996 31.823 -0.019 0.000 0.984 2123 V HN 0.579 nan 8.190 nan 0.000 0.451 2124 K N 3.788 124.088 120.400 -0.167 0.000 2.339 2124 K HA 0.181 4.502 4.320 0.001 0.000 0.286 2124 K C 0.078 176.545 176.600 -0.222 0.000 1.050 2124 K CA -0.198 55.942 56.287 -0.245 0.000 0.956 2124 K CB 0.729 33.031 32.500 -0.331 0.000 0.990 2124 K HN 0.622 nan 8.250 nan 0.000 0.475 2125 K N 1.789 122.055 120.400 -0.223 0.000 2.412 2125 K HA 0.081 4.402 4.320 0.001 0.000 0.284 2125 K C 0.325 176.713 176.600 -0.353 0.000 1.046 2125 K CA -0.104 56.038 56.287 -0.240 0.000 0.999 2125 K CB 0.370 32.750 32.500 -0.200 0.000 0.941 2125 K HN 0.700 nan 8.250 nan 0.000 0.474 2126 G N 3.203 111.698 108.800 -0.508 0.000 2.474 2126 G HA2 -0.107 3.853 3.960 0.001 0.000 0.233 2126 G HA3 -0.107 3.853 3.960 0.001 0.000 0.233 2126 G C 0.169 174.602 174.900 -0.778 0.000 1.278 2126 G CA -0.390 44.169 45.100 -0.902 0.000 0.861 2126 G HN 0.806 nan 8.290 nan 0.000 0.567 2127 Q N 0.608 120.116 119.800 -0.485 0.000 2.437 2127 Q HA -0.012 4.329 4.340 0.001 0.000 0.210 2127 Q C 1.598 177.531 176.000 -0.112 0.000 0.972 2127 Q CA 1.200 56.893 55.803 -0.183 0.000 0.903 2127 Q CB -0.145 28.623 28.738 0.050 0.000 0.967 2127 Q HN 0.816 nan 8.270 nan 0.000 0.486 2128 F N -3.015 116.949 119.950 0.024 0.000 2.721 2128 F HA 0.354 4.881 4.527 0.001 0.000 0.301 2128 F C 0.211 175.994 175.800 -0.029 0.000 1.096 2128 F CA -0.835 57.168 58.000 0.005 0.000 1.308 2128 F CB 0.034 39.043 39.000 0.015 0.000 1.086 2128 F HN -0.138 nan 8.300 nan 0.000 0.587 2129 L N 1.850 122.904 121.223 -0.282 0.000 2.334 2129 L HA 0.703 5.044 4.340 0.001 0.000 0.277 2129 L C 0.284 177.009 176.870 -0.241 0.000 1.075 2129 L CA -1.126 53.602 54.840 -0.188 0.000 0.804 2129 L CB 1.108 42.990 42.059 -0.294 0.000 1.174 2129 L HN 0.229 nan 8.230 nan 0.000 0.438 2130 A N 5.344 127.982 122.820 -0.304 0.000 2.302 2130 A HA 0.593 4.913 4.320 0.001 0.000 0.285 2130 A C -1.834 175.327 177.584 -0.704 0.000 1.105 2130 A CA -1.194 50.457 52.037 -0.643 0.000 0.816 2130 A CB 0.080 18.535 19.000 -0.908 0.000 1.067 2130 A HN 0.722 nan 8.150 nan 0.000 0.489 2131 P HA -0.196 nan 4.420 nan 0.000 0.216 2131 P C 0.966 178.253 177.300 -0.021 0.000 1.157 2131 P CA 2.249 65.141 63.100 -0.346 0.000 0.880 2131 P CB -0.136 31.397 31.700 -0.278 0.000 0.791 2132 W N -0.496 120.948 121.300 0.241 0.000 2.525 2132 W HA 0.001 4.661 4.660 0.001 0.000 0.259 2132 W C 0.932 177.500 176.519 0.081 0.000 1.253 2132 W CA 0.587 58.121 57.345 0.315 0.000 1.262 2132 W CB -1.830 27.761 29.460 0.218 0.000 1.122 2132 W HN -0.107 nan 8.180 nan 0.000 0.607 2133 D N 0.899 121.294 120.400 -0.009 0.000 2.348 2133 D HA -0.126 4.515 4.640 0.001 0.000 0.216 2133 D C 2.110 178.366 176.300 -0.074 0.000 0.970 2133 D CA 1.953 55.946 54.000 -0.011 0.000 0.889 2133 D CB -0.538 40.236 40.800 -0.043 0.000 0.912 2133 D HN 0.403 nan 8.370 nan 0.000 0.524 2134 T N -1.939 112.592 114.554 -0.039 0.000 3.055 2134 T HA -0.039 4.311 4.350 0.001 0.000 0.265 2134 T C 1.724 176.217 174.700 -0.345 0.000 1.111 2134 T CA 0.426 62.499 62.100 -0.044 0.000 1.118 2134 T CB 0.170 69.151 68.868 0.188 0.000 0.909 2134 T HN 0.055 nan 8.240 nan 0.000 0.501 2135 K N 1.621 121.515 120.400 -0.844 0.000 2.063 2135 K HA -0.155 4.165 4.320 0.001 0.000 0.208 2135 K C 2.092 178.338 176.600 -0.591 0.000 1.048 2135 K CA 1.778 57.225 56.287 -1.399 0.000 0.928 2135 K CB -0.371 31.207 32.500 -1.536 0.000 0.713 2135 K HN 0.520 nan 8.250 nan 0.000 0.442 2136 N N -0.255 118.232 118.700 -0.355 0.000 2.244 2136 N HA -0.133 4.608 4.740 0.001 0.000 0.183 2136 N C 1.684 177.113 175.510 -0.136 0.000 1.016 2136 N CA 0.910 53.843 53.050 -0.195 0.000 0.866 2136 N CB 0.128 38.539 38.487 -0.125 0.000 0.980 2136 N HN -0.021 nan 8.380 nan 0.000 0.430 2137 V N 0.729 120.568 119.914 -0.126 0.000 2.295 2137 V HA -0.188 3.932 4.120 0.001 0.000 0.246 2137 V C 2.261 178.328 176.094 -0.045 0.000 1.049 2137 V CA 1.321 63.586 62.300 -0.060 0.000 1.024 2137 V CB -0.463 31.338 31.823 -0.037 0.000 0.648 2137 V HN 0.131 nan 8.190 nan 0.000 0.447 2138 V N 0.106 119.977 119.914 -0.072 0.000 2.343 2138 V HA -0.315 3.806 4.120 0.001 0.000 0.247 2138 V C 2.479 178.563 176.094 -0.015 0.000 1.051 2138 V CA 2.386 64.673 62.300 -0.021 0.000 1.036 2138 V CB -0.649 31.174 31.823 0.000 0.000 0.654 2138 V HN 0.702 nan 8.190 nan 0.000 0.451 2139 E N 0.282 120.448 120.200 -0.058 0.000 2.118 2139 E HA -0.272 4.078 4.350 0.001 0.000 0.195 2139 E C 2.257 178.880 176.600 0.038 0.000 0.992 2139 E CA 1.464 57.853 56.400 -0.018 0.000 0.804 2139 E CB -0.060 29.602 29.700 -0.064 0.000 0.741 2139 E HN 0.588 nan 8.360 nan 0.000 0.458 2140 K N 0.181 120.589 120.400 0.014 0.000 2.026 2140 K HA -0.143 4.178 4.320 0.001 0.000 0.208 2140 K C 2.315 178.991 176.600 0.127 0.000 1.048 2140 K CA 1.392 57.714 56.287 0.058 0.000 0.929 2140 K CB -0.156 32.356 32.500 0.021 0.000 0.713 2140 K HN 0.216 nan 8.250 nan 0.000 0.439 2141 L N 1.095 122.363 121.223 0.076 0.000 2.046 2141 L HA -0.206 4.135 4.340 0.001 0.000 0.208 2141 L C 2.348 179.262 176.870 0.074 0.000 1.077 2141 L CA 1.384 56.265 54.840 0.069 0.000 0.747 2141 L CB -0.338 41.747 42.059 0.044 0.000 0.896 2141 L HN 0.143 nan 8.230 nan 0.000 0.432 2142 K N -0.522 119.924 120.400 0.076 0.000 2.057 2142 K HA -0.212 4.109 4.320 0.001 0.000 0.207 2142 K C 2.090 178.741 176.600 0.085 0.000 1.049 2142 K CA 1.554 57.880 56.287 0.065 0.000 0.931 2142 K CB -0.299 32.238 32.500 0.063 0.000 0.714 2142 K HN 0.106 nan 8.250 nan 0.000 0.440 2143 F N 1.274 121.220 119.950 -0.006 0.000 2.171 2143 F HA -0.099 4.428 4.527 0.001 0.000 0.300 2143 F C 1.867 177.667 175.800 0.000 0.000 1.090 2143 F CA 1.631 59.628 58.000 -0.004 0.000 1.293 2143 F CB -0.384 38.612 39.000 -0.007 0.000 1.013 2143 F HN -0.023 nan 8.300 nan 0.000 0.486 2144 G N -1.122 107.717 108.800 0.067 0.000 2.848 2144 G HA2 0.263 4.224 3.960 0.001 0.000 0.208 2144 G HA3 0.263 4.224 3.960 0.001 0.000 0.208 2144 G C 1.342 176.201 174.900 -0.068 0.000 1.152 2144 G CA 0.383 45.471 45.100 -0.019 0.000 0.789 2144 G HN 0.996 nan 8.290 nan 0.000 0.531 2145 G N -1.452 107.306 108.800 -0.071 0.000 2.176 2145 G HA2 0.121 4.082 3.960 0.001 0.000 0.232 2145 G HA3 0.121 4.082 3.960 0.001 0.000 0.232 2145 G C 0.541 175.429 174.900 -0.019 0.000 0.986 2145 G CA 0.169 45.235 45.100 -0.057 0.000 0.643 2145 G HN 1.323 nan 8.290 nan 0.000 0.522 2146 A N -0.032 122.788 122.820 0.001 0.000 2.477 2146 A HA 0.647 4.968 4.320 0.001 0.000 0.246 2146 A C 1.308 178.894 177.584 0.004 0.000 1.078 2146 A CA 1.085 53.128 52.037 0.010 0.000 0.770 2146 A CB 0.448 19.461 19.000 0.023 0.000 1.011 2146 A HN 0.220 nan 8.150 nan 0.000 0.494 2147 K N 0.924 121.325 120.400 0.001 0.000 2.344 2147 K HA 0.113 4.434 4.320 0.001 0.000 0.200 2147 K C 0.234 176.816 176.600 -0.029 0.000 1.132 2147 K CA 0.473 56.756 56.287 -0.008 0.000 0.935 2147 K CB 0.311 32.809 32.500 -0.002 0.000 1.089 2147 K HN 0.833 nan 8.250 nan 0.000 0.496 2148 E N 1.657 121.841 120.200 -0.026 0.000 2.055 2148 E HA 0.314 4.665 4.350 0.001 0.000 0.274 2148 E C -1.106 175.426 176.600 -0.115 0.000 0.949 2148 E CA -0.178 56.170 56.400 -0.086 0.000 0.775 2148 E CB 0.480 30.185 29.700 0.007 0.000 1.097 2148 E HN 0.066 nan 8.360 nan 0.000 0.404 2149 I N 4.606 125.030 120.570 -0.243 0.000 2.465 2149 I HA 0.332 4.503 4.170 0.001 0.000 0.291 2149 I C -1.082 174.838 176.117 -0.328 0.000 1.014 2149 I CA -0.867 60.337 61.300 -0.160 0.000 1.093 2149 I CB 1.144 39.115 38.000 -0.048 0.000 1.267 2149 I HN 0.485 nan 8.210 nan 0.000 0.431 2150 Y N 5.624 125.931 120.300 0.012 0.000 2.485 2150 Y HA 0.677 5.228 4.550 0.001 0.000 0.345 2150 Y C -0.466 175.430 175.900 -0.006 0.000 0.998 2150 Y CA -0.856 57.243 58.100 -0.001 0.000 1.059 2150 Y CB 1.890 40.339 38.460 -0.019 0.000 1.234 2150 Y HN 0.269 nan 8.280 nan 0.000 0.461 2151 L N 2.265 123.577 121.223 0.147 0.000 2.356 2151 L HA 0.587 4.928 4.340 0.001 0.000 0.277 2151 L C -0.740 176.144 176.870 0.023 0.000 0.996 2151 L CA -0.572 54.309 54.840 0.068 0.000 0.822 2151 L CB 2.193 44.301 42.059 0.082 0.000 1.256 2151 L HN 0.639 nan 8.230 nan 0.000 0.413 2152 T N 1.190 115.711 114.554 -0.055 0.000 2.779 2152 T HA 0.231 4.582 4.350 0.001 0.000 0.280 2152 T C -0.366 174.242 174.700 -0.152 0.000 0.987 2152 T CA -0.440 61.588 62.100 -0.120 0.000 0.966 2152 T CB 1.573 70.298 68.868 -0.239 0.000 0.933 2152 T HN 0.420 nan 8.240 nan 0.000 0.442 2153 E N 2.714 122.852 120.200 -0.103 0.000 2.223 2153 E HA 0.275 4.626 4.350 0.001 0.000 0.282 2153 E C 0.475 176.968 176.600 -0.179 0.000 1.046 2153 E CA -0.478 55.861 56.400 -0.102 0.000 0.857 2153 E CB 0.439 30.144 29.700 0.009 0.000 1.055 2153 E HN 0.619 nan 8.360 nan 0.000 0.409 2154 R N 3.019 123.395 120.500 -0.207 0.000 2.592 2154 R HA 0.489 4.830 4.340 0.001 0.000 0.439 2154 R C 0.099 176.305 176.300 -0.156 0.000 0.995 2154 R CA -0.195 55.769 56.100 -0.227 0.000 1.141 2154 R CB 0.090 30.210 30.300 -0.299 0.000 1.495 2154 R HN 0.651 nan 8.270 nan 0.000 0.579 2155 G N 0.002 108.719 108.800 -0.139 0.000 2.663 2155 G HA2 -0.018 3.943 3.960 0.001 0.000 0.686 2155 G HA3 -0.018 3.943 3.960 0.001 0.000 0.686 2155 G C -0.876 173.956 174.900 -0.113 0.000 1.246 2155 G CA -0.463 44.570 45.100 -0.111 0.000 0.795 2155 G HN 0.181 nan 8.290 nan 0.000 0.627 2156 T N 0.983 115.488 114.554 -0.082 0.000 2.893 2156 T HA 0.660 5.011 4.350 0.001 0.000 0.291 2156 T C 0.467 175.191 174.700 0.040 0.000 1.028 2156 T CA -0.068 62.000 62.100 -0.052 0.000 0.995 2156 T CB 1.701 70.523 68.868 -0.077 0.000 1.051 2156 T HN 0.867 nan 8.240 nan 0.000 0.470 2157 T N 2.948 117.545 114.554 0.072 0.000 2.871 2157 T HA 0.162 4.512 4.350 0.001 0.000 0.296 2157 T C -0.731 174.077 174.700 0.180 0.000 0.998 2157 T CA 0.511 62.685 62.100 0.124 0.000 1.162 2157 T CB -0.444 68.498 68.868 0.123 0.000 0.947 2157 T HN 0.431 nan 8.240 nan 0.000 0.536 2158 F N 3.955 123.898 119.950 -0.011 0.000 2.691 2158 F HA 0.522 5.049 4.527 0.001 0.000 0.371 2158 F C 0.669 176.437 175.800 -0.053 0.000 1.159 2158 F CA 0.117 58.097 58.000 -0.034 0.000 1.174 2158 F CB -0.113 38.870 39.000 -0.029 0.000 1.419 2158 F HN 0.925 nan 8.300 nan 0.000 0.514 2159 G N 2.755 111.335 108.800 -0.368 0.000 2.593 2159 G HA2 -0.282 3.678 3.960 0.001 0.000 0.237 2159 G HA3 -0.282 3.678 3.960 0.001 0.000 0.237 2159 G C -1.362 173.375 174.900 -0.272 0.000 1.312 2159 G CA -0.352 44.459 45.100 -0.482 0.000 0.896 2159 G HN 0.498 nan 8.290 nan 0.000 0.574 2160 Y N 1.615 121.882 120.300 -0.056 0.000 2.334 2160 Y HA 0.487 5.037 4.550 0.001 0.000 0.328 2160 Y C 1.452 177.364 175.900 0.021 0.000 1.130 2160 Y CA -0.548 57.547 58.100 -0.008 0.000 1.163 2160 Y CB 0.999 39.452 38.460 -0.012 0.000 1.207 2160 Y HN 0.650 nan 8.280 nan 0.000 0.471 2161 N N 1.747 120.583 118.700 0.226 0.000 2.721 2161 N HA -0.323 4.418 4.740 0.001 0.000 0.249 2161 N C -0.784 174.811 175.510 0.141 0.000 1.072 2161 N CA 1.031 54.173 53.050 0.153 0.000 0.710 2161 N CB -1.093 37.468 38.487 0.124 0.000 0.993 2161 N HN 0.891 nan 8.380 nan 0.000 0.547 2162 N N -0.391 118.400 118.700 0.151 0.000 2.405 2162 N HA 0.549 5.290 4.740 0.001 0.000 0.274 2162 N C -1.493 174.124 175.510 0.180 0.000 1.170 2162 N CA -0.539 52.609 53.050 0.164 0.000 0.848 2162 N CB 1.603 40.210 38.487 0.200 0.000 1.629 2162 N HN -0.022 nan 8.380 nan 0.000 0.481 2163 L N 1.936 123.244 121.223 0.141 0.000 2.370 2163 L HA 0.703 5.043 4.340 0.001 0.000 0.266 2163 L C -0.775 176.105 176.870 0.018 0.000 1.002 2163 L CA -1.011 53.886 54.840 0.095 0.000 0.818 2163 L CB 2.091 44.180 42.059 0.050 0.000 1.325 2163 L HN 0.276 nan 8.230 nan 0.000 0.418 2164 V N 2.508 122.382 119.914 -0.065 0.000 2.823 2164 V HA 0.560 4.680 4.120 0.001 0.000 0.312 2164 V C -0.837 175.141 176.094 -0.193 0.000 1.072 2164 V CA -0.499 61.665 62.300 -0.225 0.000 0.937 2164 V CB 2.594 34.092 31.823 -0.542 0.000 1.013 2164 V HN 0.408 nan 8.190 nan 0.000 0.430 2165 V N 5.057 124.841 119.914 -0.216 0.000 2.333 2165 V HA 0.376 4.497 4.120 0.001 0.000 0.274 2165 V C -0.329 175.532 176.094 -0.389 0.000 1.028 2165 V CA -0.452 61.645 62.300 -0.338 0.000 0.851 2165 V CB 1.381 32.926 31.823 -0.462 0.000 1.000 2165 V HN 0.914 nan 8.190 nan 0.000 0.456 2166 D N 4.084 124.285 120.400 -0.331 0.000 2.441 2166 D HA 0.240 4.880 4.640 0.001 0.000 0.221 2166 D C 0.686 176.838 176.300 -0.248 0.000 1.156 2166 D CA -0.361 53.515 54.000 -0.207 0.000 0.896 2166 D CB 0.612 41.324 40.800 -0.147 0.000 1.028 2166 D HN 0.397 nan 8.370 nan 0.000 0.509 2167 F N 2.001 121.898 119.950 -0.089 0.000 2.583 2167 F HA -0.002 4.526 4.527 0.001 0.000 0.297 2167 F C 2.243 177.999 175.800 -0.072 0.000 1.131 2167 F CA 0.437 58.379 58.000 -0.096 0.000 1.467 2167 F CB 0.038 38.966 39.000 -0.120 0.000 1.097 2167 F HN 0.285 nan 8.300 nan 0.000 0.586 2168 R N -0.242 120.297 120.500 0.064 0.000 2.189 2168 R HA -0.125 4.215 4.340 0.001 0.000 0.223 2168 R C 2.466 178.772 176.300 0.010 0.000 1.092 2168 R CA 1.265 57.394 56.100 0.050 0.000 0.989 2168 R CB -0.494 29.847 30.300 0.067 0.000 0.876 2168 R HN 0.349 nan 8.270 nan 0.000 0.457 2169 S N 0.578 116.249 115.700 -0.049 0.000 2.399 2169 S HA -0.112 4.358 4.470 0.001 0.000 0.231 2169 S C 1.848 176.403 174.600 -0.075 0.000 1.022 2169 S CA 0.731 58.881 58.200 -0.083 0.000 0.983 2169 S CB -0.157 62.958 63.200 -0.142 0.000 0.803 2169 S HN 0.058 nan 8.310 nan 0.000 0.480 2170 L N 2.797 123.989 121.223 -0.053 0.000 1.970 2170 L HA 0.038 4.379 4.340 0.001 0.000 0.212 2170 L C -0.365 176.449 176.870 -0.093 0.000 1.071 2170 L CA 1.931 56.740 54.840 -0.051 0.000 0.751 2170 L CB -1.640 40.418 42.059 -0.001 0.000 0.889 2170 L HN 0.267 nan 8.230 nan 0.000 0.432 2171 P HA -0.140 nan 4.420 nan 0.000 0.220 2171 P C 2.027 179.229 177.300 -0.164 0.000 1.148 2171 P CA 1.542 64.580 63.100 -0.103 0.000 0.803 2171 P CB 0.102 31.770 31.700 -0.053 0.000 0.782 2172 I N -0.779 119.707 120.570 -0.141 0.000 2.202 2172 I HA -0.176 3.994 4.170 0.001 0.000 0.242 2172 I C 2.741 178.533 176.117 -0.542 0.000 1.091 2172 I CA 1.444 62.620 61.300 -0.207 0.000 1.368 2172 I CB -0.579 37.431 38.000 0.017 0.000 1.058 2172 I HN -0.159 nan 8.210 nan 0.000 0.410 2173 M N 0.194 119.563 119.600 -0.386 0.000 2.296 2173 M HA -0.169 4.312 4.480 0.001 0.000 0.265 2173 M C 2.158 178.057 176.300 -0.667 0.000 1.064 2173 M CA 1.222 56.218 55.300 -0.505 0.000 1.109 2173 M CB -0.358 32.172 32.600 -0.116 0.000 1.396 2173 M HN -0.009 nan 8.290 nan 0.000 0.430 2174 K N 1.141 121.286 120.400 -0.424 0.000 2.360 2174 K HA -0.156 4.164 4.320 0.001 0.000 0.201 2174 K C 1.633 178.014 176.600 -0.364 0.000 1.046 2174 K CA 1.450 57.554 56.287 -0.305 0.000 0.940 2174 K CB -0.174 32.206 32.500 -0.199 0.000 0.748 2174 K HN 0.436 nan 8.250 nan 0.000 0.465 2175 Q N -1.287 118.141 119.800 -0.620 0.000 2.224 2175 Q HA -0.124 4.216 4.340 0.001 0.000 0.203 2175 Q C 0.666 176.538 176.000 -0.213 0.000 0.970 2175 Q CA 1.618 57.140 55.803 -0.469 0.000 0.865 2175 Q CB -0.058 28.298 28.738 -0.637 0.000 0.922 2175 Q HN 0.672 nan 8.270 nan 0.000 0.445 2176 W N -2.373 118.930 121.300 0.004 0.000 2.324 2176 W HA 0.705 5.365 4.660 0.001 0.000 0.316 2176 W C -0.090 176.413 176.519 -0.026 0.000 0.927 2176 W CA -0.185 57.158 57.345 -0.005 0.000 1.438 2176 W CB 0.323 29.787 29.460 0.007 0.000 1.085 2176 W HN -0.098 nan 8.180 nan 0.000 0.532 2177 A N 0.752 123.604 122.820 0.053 0.000 2.586 2177 A HA 0.601 4.922 4.320 0.001 0.000 0.290 2177 A C -1.088 176.458 177.584 -0.063 0.000 1.086 2177 A CA -1.240 50.810 52.037 0.022 0.000 0.665 2177 A CB 0.923 19.990 19.000 0.112 0.000 1.279 2177 A HN 0.022 nan 8.150 nan 0.000 0.423 2178 K N 0.445 120.775 120.400 -0.117 0.000 2.298 2178 K HA 0.503 4.824 4.320 0.001 0.000 0.280 2178 K C -0.862 175.758 176.600 0.033 0.000 1.032 2178 K CA -0.232 56.009 56.287 -0.077 0.000 0.958 2178 K CB 1.257 33.644 32.500 -0.189 0.000 0.978 2178 K HN 0.366 nan 8.250 nan 0.000 0.472 2179 V N 4.902 124.838 119.914 0.036 0.000 2.435 2179 V HA 0.339 4.459 4.120 0.001 0.000 0.290 2179 V C -0.114 176.020 176.094 0.065 0.000 1.030 2179 V CA -0.856 61.469 62.300 0.043 0.000 0.881 2179 V CB 1.306 33.122 31.823 -0.011 0.000 0.983 2179 V HN 0.586 nan 8.190 nan 0.000 0.445 2180 I N 4.261 124.868 120.570 0.063 0.000 2.530 2180 I HA 0.389 4.560 4.170 0.001 0.000 0.297 2180 I C -0.835 175.327 176.117 0.076 0.000 1.011 2180 I CA -0.854 60.468 61.300 0.036 0.000 1.107 2180 I CB 1.803 39.791 38.000 -0.020 0.000 1.285 2180 I HN 0.677 nan 8.210 nan 0.000 0.436 2181 Y N 4.828 125.129 120.300 0.002 0.000 2.331 2181 Y HA 0.330 4.881 4.550 0.001 0.000 0.338 2181 Y C -0.073 175.856 175.900 0.049 0.000 0.976 2181 Y CA -0.898 57.212 58.100 0.017 0.000 1.137 2181 Y CB 0.853 39.368 38.460 0.091 0.000 1.172 2181 Y HN 0.503 nan 8.280 nan 0.000 0.478 2182 D N 5.208 125.198 120.400 -0.684 0.000 2.393 2182 D HA 0.229 4.869 4.640 0.001 0.000 0.232 2182 D C 0.580 176.372 176.300 -0.847 0.000 1.192 2182 D CA 0.355 54.036 54.000 -0.532 0.000 0.882 2182 D CB 1.296 41.791 40.800 -0.508 0.000 1.038 2182 D HN 0.810 nan 8.370 nan 0.000 0.499 2183 A N 2.956 125.459 122.820 -0.528 0.000 2.066 2183 A HA -0.089 4.232 4.320 0.001 0.000 0.218 2183 A C 1.905 179.451 177.584 -0.063 0.000 1.157 2183 A CA 1.632 53.511 52.037 -0.263 0.000 0.670 2183 A CB -0.205 18.859 19.000 0.105 0.000 0.804 2183 A HN 0.619 nan 8.150 nan 0.000 0.453 2184 T N -4.005 110.508 114.554 -0.068 0.000 3.021 2184 T HA 0.032 4.382 4.350 0.001 0.000 0.245 2184 T C 1.640 176.248 174.700 -0.153 0.000 1.028 2184 T CA 1.178 63.218 62.100 -0.100 0.000 1.139 2184 T CB -0.533 68.240 68.868 -0.158 0.000 0.884 2184 T HN 0.560 nan 8.240 nan 0.000 0.457 2185 H N 1.182 120.223 119.070 -0.048 0.000 2.502 2185 H HA 0.299 4.856 4.556 0.001 0.000 0.283 2185 H C 2.404 177.684 175.328 -0.080 0.000 1.015 2185 H CA 0.973 56.975 56.048 -0.077 0.000 1.298 2185 H CB 0.043 29.713 29.762 -0.154 0.000 1.411 2185 H HN 0.287 nan 8.280 nan 0.000 0.556 2186 S N 0.183 115.879 115.700 -0.006 0.000 2.447 2186 S HA -0.100 4.371 4.470 0.001 0.000 0.233 2186 S C 1.966 176.602 174.600 0.061 0.000 1.006 2186 S CA 1.162 59.362 58.200 0.001 0.000 0.957 2186 S CB -0.033 63.166 63.200 -0.001 0.000 0.773 2186 S HN 0.460 nan 8.310 nan 0.000 0.507 2187 V N -0.843 119.124 119.914 0.089 0.000 3.621 2187 V HA 0.303 4.424 4.120 0.001 0.000 0.285 2187 V C 0.408 176.575 176.094 0.121 0.000 1.346 2187 V CA -0.347 62.034 62.300 0.135 0.000 1.104 2187 V CB -0.553 31.397 31.823 0.212 0.000 0.913 2187 V HN 0.273 nan 8.190 nan 0.000 0.432 2188 Q N 1.267 121.121 119.800 0.090 0.000 2.327 2188 Q HA 0.471 4.811 4.340 0.001 0.000 0.254 2188 Q C -0.849 175.210 176.000 0.098 0.000 0.952 2188 Q CA -0.387 55.469 55.803 0.089 0.000 0.884 2188 Q CB 1.251 30.044 28.738 0.091 0.000 1.224 2188 Q HN 0.656 nan 8.270 nan 0.000 0.422 2189 L N 7.040 128.322 121.223 0.099 0.000 2.272 2189 L HA 0.403 4.744 4.340 0.001 0.000 0.284 2189 L C -1.921 175.010 176.870 0.100 0.000 1.045 2189 L CA -2.110 52.792 54.840 0.104 0.000 0.842 2189 L CB 0.815 42.936 42.059 0.103 0.000 1.224 2189 L HN 0.561 nan 8.230 nan 0.000 0.430 2190 P HA 0.151 nan 4.420 nan 0.000 0.265 2190 P C 0.380 177.742 177.300 0.103 0.000 1.193 2190 P CA 0.647 63.818 63.100 0.118 0.000 0.765 2190 P CB 1.146 32.934 31.700 0.147 0.000 0.823 2200 M N 1.117 120.814 119.600 0.160 0.000 2.072 2200 M HA 0.473 4.954 4.480 0.001 0.000 0.331 2200 M C 1.297 177.627 176.300 0.049 0.000 1.004 2200 M CA -0.549 54.815 55.300 0.106 0.000 0.952 2200 M CB 1.815 34.533 32.600 0.198 0.000 1.511 2200 M HN 0.662 nan 8.290 nan 0.000 0.422 2201 R N 2.358 122.847 120.500 -0.017 0.000 2.120 2201 R HA -0.170 4.171 4.340 0.001 0.000 0.234 2201 R C 1.533 177.797 176.300 -0.059 0.000 1.123 2201 R CA 2.088 58.178 56.100 -0.017 0.000 0.975 2201 R CB 0.098 30.381 30.300 -0.028 0.000 0.866 2201 R HN 0.854 nan 8.270 nan 0.000 0.446 2202 E N -0.604 119.466 120.200 -0.217 0.000 2.331 2202 E HA -0.198 4.153 4.350 0.001 0.000 0.199 2202 E C 0.674 177.077 176.600 -0.328 0.000 1.008 2202 E CA 1.000 57.198 56.400 -0.336 0.000 0.843 2202 E CB -0.179 29.185 29.700 -0.560 0.000 0.761 2202 E HN 0.399 nan 8.360 nan 0.000 0.507 2203 F N 0.486 120.489 119.950 0.088 0.000 2.695 2203 F HA 0.330 4.858 4.527 0.001 0.000 0.303 2203 F C 1.765 177.653 175.800 0.147 0.000 1.091 2203 F CA -0.554 57.508 58.000 0.102 0.000 1.300 2203 F CB -0.025 39.029 39.000 0.090 0.000 1.071 2203 F HN -0.052 nan 8.300 nan 0.000 0.578 2204 I N -0.474 120.258 120.570 0.270 0.000 2.099 2204 I HA -0.358 3.812 4.170 0.001 0.000 0.239 2204 I C 2.545 178.869 176.117 0.346 0.000 1.066 2204 I CA 1.837 63.294 61.300 0.262 0.000 1.324 2204 I CB -0.494 37.599 38.000 0.154 0.000 1.037 2204 I HN 0.137 nan 8.210 nan 0.000 0.401 2205 F N 2.505 122.523 119.950 0.114 0.000 2.102 2205 F HA -0.144 4.383 4.527 0.001 0.000 0.298 2205 F C -0.279 175.581 175.800 0.100 0.000 1.105 2205 F CA 1.035 59.092 58.000 0.094 0.000 1.239 2205 F CB -1.030 38.002 39.000 0.053 0.000 0.991 2205 F HN 0.020 nan 8.300 nan 0.000 0.474 2206 P HA -0.199 nan 4.420 nan 0.000 0.216 2206 P C 1.812 179.142 177.300 0.050 0.000 1.150 2206 P CA 1.569 64.675 63.100 0.009 0.000 0.837 2206 P CB -0.256 31.490 31.700 0.076 0.000 0.786 2207 L N -1.087 120.248 121.223 0.187 0.000 2.217 2207 L HA -0.038 4.302 4.340 0.001 0.000 0.211 2207 L C 2.699 179.660 176.870 0.152 0.000 1.107 2207 L CA 0.806 55.765 54.840 0.199 0.000 0.783 2207 L CB -0.585 41.708 42.059 0.390 0.000 0.919 2207 L HN -0.089 nan 8.230 nan 0.000 0.442 2208 I N -0.190 120.564 120.570 0.306 0.000 2.439 2208 I HA -0.250 3.921 4.170 0.001 0.000 0.251 2208 I C 2.741 178.945 176.117 0.146 0.000 1.139 2208 I CA 1.018 62.517 61.300 0.332 0.000 1.438 2208 I CB -0.034 38.227 38.000 0.434 0.000 1.085 2208 I HN 0.209 nan 8.210 nan 0.000 0.427 2209 R N 0.705 121.250 120.500 0.075 0.000 2.096 2209 R HA -0.128 4.213 4.340 0.001 0.000 0.235 2209 R C 2.360 178.579 176.300 -0.135 0.000 1.127 2209 R CA 1.394 57.468 56.100 -0.044 0.000 0.968 2209 R CB -0.512 29.683 30.300 -0.175 0.000 0.861 2209 R HN 0.433 nan 8.270 nan 0.000 0.440 2210 A N 1.536 124.207 122.820 -0.248 0.000 1.877 2210 A HA -0.129 4.192 4.320 0.001 0.000 0.216 2210 A C 2.428 179.710 177.584 -0.504 0.000 1.186 2210 A CA 1.717 53.446 52.037 -0.514 0.000 0.620 2210 A CB -0.666 17.778 19.000 -0.927 0.000 0.822 2210 A HN 0.387 nan 8.150 nan 0.000 0.443 2211 A N -0.050 122.569 122.820 -0.336 0.000 1.883 2211 A HA -0.081 4.240 4.320 0.001 0.000 0.217 2211 A C 2.315 179.887 177.584 -0.022 0.000 1.186 2211 A CA 2.556 54.523 52.037 -0.118 0.000 0.624 2211 A CB -1.298 17.566 19.000 -0.228 0.000 0.822 2211 A HN 1.178 nan 8.150 nan 0.000 0.444 2212 V N -2.880 117.046 119.914 0.019 0.000 2.667 2212 V HA 0.120 4.240 4.120 0.001 0.000 0.252 2212 V C 2.444 178.604 176.094 0.111 0.000 1.065 2212 V CA 1.522 63.866 62.300 0.074 0.000 1.083 2212 V CB -1.247 30.598 31.823 0.037 0.000 0.692 2212 V HN 0.499 nan 8.190 nan 0.000 0.468 2213 A N 0.488 123.321 122.820 0.022 0.000 1.929 2213 A HA 0.005 4.325 4.320 0.001 0.000 0.216 2213 A C 2.325 179.977 177.584 0.113 0.000 1.176 2213 A CA 1.886 53.957 52.037 0.057 0.000 0.628 2213 A CB -0.636 18.324 19.000 -0.067 0.000 0.816 2213 A HN 0.412 nan 8.150 nan 0.000 0.444 2214 V N -0.818 119.082 119.914 -0.024 0.000 2.323 2214 V HA 0.265 4.385 4.120 0.001 0.000 0.244 2214 V C 1.335 177.347 176.094 -0.136 0.000 1.041 2214 V CA 1.400 63.677 62.300 -0.038 0.000 1.025 2214 V CB -1.196 30.595 31.823 -0.053 0.000 0.656 2214 V HN 1.243 nan 8.190 nan 0.000 0.451 2215 G N -0.326 108.310 108.800 -0.273 0.000 3.393 2215 G HA2 0.093 4.054 3.960 0.001 0.000 0.676 2215 G HA3 0.093 4.054 3.960 0.001 0.000 0.676 2215 G C -0.755 173.927 174.900 -0.363 0.000 1.224 2215 G CA -0.649 43.965 45.100 -0.811 0.000 1.109 2215 G HN 0.997 nan 8.290 nan 0.000 0.519 2216 C N 0.316 119.522 119.300 -0.157 0.000 3.285 2216 C HA 0.883 5.344 4.460 0.001 0.000 0.320 2216 C C 0.610 175.678 174.990 0.131 0.000 1.411 2216 C CA -0.527 58.500 59.018 0.016 0.000 1.429 2216 C CB 1.895 29.706 27.740 0.119 0.000 1.812 2216 C HN 0.629 nan 8.230 nan 0.000 0.454 2217 D N 0.241 120.681 120.400 0.065 0.000 2.360 2217 D HA 0.393 5.033 4.640 0.001 0.000 0.210 2217 D C 0.767 176.883 176.300 -0.306 0.000 1.047 2217 D CA 1.303 55.322 54.000 0.032 0.000 0.854 2217 D CB 0.960 41.789 40.800 0.049 0.000 0.936 2217 D HN 1.075 nan 8.370 nan 0.000 0.514 2218 G N -0.382 108.154 108.800 -0.440 0.000 2.356 2218 G HA2 0.385 4.346 3.960 0.001 0.000 0.294 2218 G HA3 0.385 4.346 3.960 0.001 0.000 0.294 2218 G C -1.792 172.896 174.900 -0.353 0.000 1.423 2218 G CA -0.553 43.973 45.100 -0.957 0.000 0.806 2218 G HN -0.056 nan 8.290 nan 0.000 0.527 2219 V N 0.096 119.837 119.914 -0.288 0.000 2.914 2219 V HA 0.775 4.896 4.120 0.001 0.000 0.314 2219 V C -1.252 174.852 176.094 0.017 0.000 1.084 2219 V CA -0.733 61.589 62.300 0.038 0.000 0.963 2219 V CB 1.994 33.941 31.823 0.208 0.000 1.025 2219 V HN 0.858 nan 8.190 nan 0.000 0.432 2220 F N 4.770 124.645 119.950 -0.125 0.000 2.493 2220 F HA 0.843 5.370 4.527 0.001 0.000 0.329 2220 F C -0.559 175.162 175.800 -0.131 0.000 1.126 2220 F CA -0.787 57.126 58.000 -0.144 0.000 0.937 2220 F CB 1.540 40.445 39.000 -0.158 0.000 1.146 2220 F HN 0.400 nan 8.300 nan 0.000 0.442 2221 M N 5.646 125.050 119.600 -0.327 0.000 2.271 2221 M HA 0.304 4.785 4.480 0.001 0.000 0.285 2221 M C -1.182 174.893 176.300 -0.375 0.000 1.059 2221 M CA -0.551 54.620 55.300 -0.214 0.000 0.940 2221 M CB 2.595 35.126 32.600 -0.116 0.000 1.636 2221 M HN 0.509 nan 8.290 nan 0.000 0.460 2222 E N 1.580 121.621 120.200 -0.266 0.000 2.259 2222 E HA 0.425 4.776 4.350 0.001 0.000 0.281 2222 E C -0.557 175.956 176.600 -0.145 0.000 1.027 2222 E CA -0.234 56.021 56.400 -0.241 0.000 0.838 2222 E CB 1.960 31.567 29.700 -0.156 0.000 1.066 2222 E HN 0.478 nan 8.360 nan 0.000 0.401 2223 T N 2.208 116.686 114.554 -0.127 0.000 2.900 2223 T HA 0.263 4.613 4.350 0.001 0.000 0.295 2223 T C -1.615 173.095 174.700 0.017 0.000 1.044 2223 T CA -0.627 61.439 62.100 -0.056 0.000 0.995 2223 T CB 1.204 70.026 68.868 -0.078 0.000 1.072 2223 T HN 0.452 nan 8.240 nan 0.000 0.473 2224 H N 3.326 122.361 119.070 -0.058 0.000 2.974 2224 H HA 0.358 4.915 4.556 0.001 0.000 0.366 2224 H C -2.491 172.821 175.328 -0.026 0.000 1.155 2224 H CA -1.663 54.365 56.048 -0.034 0.000 1.186 2224 H CB 2.671 32.415 29.762 -0.031 0.000 1.799 2224 H HN 0.323 nan 8.280 nan 0.000 0.541 2225 P HA -0.101 nan 4.420 nan 0.000 0.215 2225 P C -0.614 176.800 177.300 0.190 0.000 1.157 2225 P CA 1.548 64.695 63.100 0.079 0.000 0.874 2225 P CB 0.404 32.091 31.700 -0.020 0.000 0.790 2226 E N -2.310 118.139 120.200 0.414 0.000 3.108 2226 E HA 0.161 4.511 4.350 0.001 0.000 0.228 2226 E C -2.172 174.387 176.600 -0.069 0.000 1.176 2226 E CA -1.663 54.828 56.400 0.152 0.000 0.881 2226 E CB 0.957 30.720 29.700 0.104 0.000 1.354 2226 E HN 0.086 nan 8.360 nan 0.000 0.400 2227 P HA -0.318 nan 4.420 nan 0.000 0.219 2227 P C 1.179 178.334 177.300 -0.242 0.000 1.158 2227 P CA 1.585 64.546 63.100 -0.233 0.000 0.895 2227 P CB 0.137 31.785 31.700 -0.086 0.000 0.792 2228 E N -0.159 119.957 120.200 -0.139 0.000 2.463 2228 E HA -0.160 4.191 4.350 0.001 0.000 0.201 2228 E C 1.213 177.740 176.600 -0.121 0.000 1.045 2228 E CA 0.955 57.292 56.400 -0.105 0.000 0.872 2228 E CB -0.543 29.121 29.700 -0.060 0.000 0.797 2228 E HN 0.289 nan 8.360 nan 0.000 0.538 2229 K N 0.369 120.662 120.400 -0.179 0.000 2.358 2229 K HA 0.280 4.600 4.320 0.001 0.000 0.200 2229 K C 0.370 176.833 176.600 -0.228 0.000 1.030 2229 K CA 0.087 56.286 56.287 -0.147 0.000 1.097 2229 K CB 0.951 33.412 32.500 -0.066 0.000 0.862 2229 K HN 0.119 nan 8.250 nan 0.000 0.534 2230 A N 1.104 123.677 122.820 -0.412 0.000 2.466 2230 A HA 0.111 4.432 4.320 0.001 0.000 0.238 2230 A C 0.851 178.335 177.584 -0.168 0.000 1.074 2230 A CA 0.003 51.805 52.037 -0.391 0.000 0.774 2230 A CB 0.131 18.870 19.000 -0.435 0.000 1.015 2230 A HN 0.276 nan 8.150 nan 0.000 0.498 2231 L N 1.148 122.294 121.223 -0.128 0.000 2.592 2231 L HA 0.158 4.498 4.340 0.001 0.000 0.227 2231 L C 0.550 177.461 176.870 0.069 0.000 1.127 2231 L CA 0.688 55.459 54.840 -0.116 0.000 0.884 2231 L CB -0.812 40.951 42.059 -0.494 0.000 1.065 2231 L HN 0.817 nan 8.230 nan 0.000 0.457 2232 S N -3.159 112.579 115.700 0.063 0.000 2.558 2232 S HA 0.268 4.739 4.470 0.001 0.000 0.277 2232 S C -0.581 174.048 174.600 0.048 0.000 1.143 2232 S CA -0.891 57.369 58.200 0.100 0.000 0.865 2232 S CB 1.662 64.968 63.200 0.177 0.000 1.102 2232 S HN 0.130 nan 8.310 nan 0.000 0.454 2233 D N 0.414 120.841 120.400 0.044 0.000 2.701 2233 D HA -0.189 4.451 4.640 0.001 0.000 0.235 2233 D C 1.250 177.531 176.300 -0.031 0.000 1.155 2233 D CA 1.193 55.198 54.000 0.009 0.000 0.649 2233 D CB -1.329 39.466 40.800 -0.009 0.000 1.050 2233 D HN 0.933 nan 8.370 nan 0.000 0.425 2234 A N -0.551 122.246 122.820 -0.039 0.000 1.972 2234 A HA -0.124 4.196 4.320 0.001 0.000 0.219 2234 A C 2.284 179.833 177.584 -0.059 0.000 1.169 2234 A CA 1.671 53.661 52.037 -0.079 0.000 0.635 2234 A CB -0.026 18.927 19.000 -0.079 0.000 0.810 2234 A HN 0.289 nan 8.150 nan 0.000 0.446 2235 S N -0.807 114.875 115.700 -0.030 0.000 2.522 2235 S HA -0.033 4.438 4.470 0.001 0.000 0.227 2235 S C 1.653 176.242 174.600 -0.018 0.000 0.986 2235 S CA 1.437 59.626 58.200 -0.018 0.000 0.929 2235 S CB -0.131 63.071 63.200 0.004 0.000 0.769 2235 S HN 0.898 nan 8.310 nan 0.000 0.529 2236 T N -1.955 112.580 114.554 -0.031 0.000 2.958 2236 T HA 0.245 4.595 4.350 0.001 0.000 0.256 2236 T C 0.357 175.023 174.700 -0.057 0.000 0.983 2236 T CA -0.331 61.747 62.100 -0.037 0.000 0.924 2236 T CB -0.008 68.831 68.868 -0.048 0.000 1.136 2236 T HN 0.111 nan 8.240 nan 0.000 0.506 2237 Q N 1.298 121.060 119.800 -0.063 0.000 2.337 2237 Q HA 0.357 4.698 4.340 0.001 0.000 0.270 2237 Q C -0.781 175.196 176.000 -0.038 0.000 1.002 2237 Q CA -0.419 55.351 55.803 -0.055 0.000 0.888 2237 Q CB 0.986 29.704 28.738 -0.033 0.000 1.222 2237 Q HN 0.322 nan 8.270 nan 0.000 0.400 2238 L N 5.865 127.064 121.223 -0.040 0.000 2.367 2238 L HA 0.257 4.598 4.340 0.001 0.000 0.275 2238 L C -2.349 174.510 176.870 -0.019 0.000 1.129 2238 L CA -1.493 53.324 54.840 -0.038 0.000 0.839 2238 L CB 0.673 42.698 42.059 -0.058 0.000 1.133 2238 L HN 0.398 nan 8.230 nan 0.000 0.453 2239 P HA 0.002 nan 4.420 nan 0.000 0.267 2239 P C 0.955 178.248 177.300 -0.011 0.000 1.205 2239 P CA 0.096 63.197 63.100 0.001 0.000 0.765 2239 P CB 0.592 32.287 31.700 -0.008 0.000 0.828 2240 L N 2.865 124.088 121.223 0.001 0.000 2.051 2240 L HA -0.290 4.051 4.340 0.001 0.000 0.214 2240 L C 2.145 179.002 176.870 -0.022 0.000 1.076 2240 L CA 2.522 57.351 54.840 -0.018 0.000 0.758 2240 L CB -0.667 41.379 42.059 -0.022 0.000 0.890 2240 L HN 0.462 nan 8.230 nan 0.000 0.433 2241 S N -1.511 114.179 115.700 -0.016 0.000 2.442 2241 S HA -0.244 4.227 4.470 0.001 0.000 0.236 2241 S C 1.628 176.214 174.600 -0.023 0.000 1.007 2241 S CA 1.002 59.193 58.200 -0.015 0.000 0.965 2241 S CB -0.247 62.947 63.200 -0.010 0.000 0.773 2241 S HN 0.569 nan 8.310 nan 0.000 0.504 2242 Q N -0.282 119.494 119.800 -0.040 0.000 2.392 2242 Q HA 0.307 4.648 4.340 0.001 0.000 0.203 2242 Q C 1.748 177.689 176.000 -0.098 0.000 0.917 2242 Q CA 0.005 55.764 55.803 -0.072 0.000 0.939 2242 Q CB -0.083 28.600 28.738 -0.091 0.000 1.063 2242 Q HN 0.455 nan 8.270 nan 0.000 0.516 2243 L N 1.437 122.622 121.223 -0.064 0.000 2.017 2243 L HA -0.205 4.135 4.340 0.001 0.000 0.208 2243 L C 2.158 179.008 176.870 -0.034 0.000 1.073 2243 L CA 1.953 56.759 54.840 -0.057 0.000 0.745 2243 L CB -0.376 41.669 42.059 -0.023 0.000 0.894 2243 L HN 0.208 nan 8.230 nan 0.000 0.432 2244 E N -0.900 119.314 120.200 0.022 0.000 2.058 2244 E HA -0.223 4.128 4.350 0.001 0.000 0.194 2244 E C 2.071 178.705 176.600 0.057 0.000 0.997 2244 E CA 1.265 57.730 56.400 0.108 0.000 0.801 2244 E CB -0.511 29.285 29.700 0.161 0.000 0.746 2244 E HN 0.621 nan 8.360 nan 0.000 0.450 2245 G N 1.244 110.047 108.800 0.004 0.000 2.440 2245 G HA2 -0.245 3.715 3.960 0.001 0.000 0.218 2245 G HA3 -0.245 3.715 3.960 0.001 0.000 0.218 2245 G C 1.611 176.451 174.900 -0.100 0.000 1.154 2245 G CA 0.903 45.992 45.100 -0.017 0.000 0.767 2245 G HN 0.266 nan 8.290 nan 0.000 0.552 2246 I N 0.366 120.788 120.570 -0.247 0.000 2.315 2246 I HA -0.092 4.078 4.170 0.001 0.000 0.248 2246 I C 2.645 178.680 176.117 -0.137 0.000 1.117 2246 I CA 0.670 61.748 61.300 -0.371 0.000 1.404 2246 I CB -0.174 37.545 38.000 -0.469 0.000 1.071 2246 I HN 0.168 nan 8.210 nan 0.000 0.419 2247 I N 0.606 121.081 120.570 -0.158 0.000 2.179 2247 I HA -0.284 3.886 4.170 0.001 0.000 0.242 2247 I C 2.631 178.579 176.117 -0.282 0.000 1.088 2247 I CA 1.326 62.476 61.300 -0.249 0.000 1.357 2247 I CB -0.340 37.402 38.000 -0.430 0.000 1.051 2247 I HN 0.207 nan 8.210 nan 0.000 0.409 2248 E N 1.605 121.686 120.200 -0.198 0.000 2.085 2248 E HA -0.225 4.125 4.350 0.001 0.000 0.194 2248 E C 2.070 178.688 176.600 0.030 0.000 0.994 2248 E CA 1.860 58.259 56.400 -0.001 0.000 0.801 2248 E CB -0.217 29.595 29.700 0.186 0.000 0.743 2248 E HN 0.419 nan 8.360 nan 0.000 0.453 2249 A N 1.165 124.027 122.820 0.071 0.000 1.877 2249 A HA -0.143 4.178 4.320 0.001 0.000 0.216 2249 A C 2.397 180.032 177.584 0.086 0.000 1.186 2249 A CA 1.852 53.976 52.037 0.146 0.000 0.620 2249 A CB -1.040 18.195 19.000 0.391 0.000 0.822 2249 A HN 0.535 nan 8.150 nan 0.000 0.443 2250 I N -2.822 117.781 120.570 0.056 0.000 2.493 2250 I HA -0.118 4.052 4.170 0.001 0.000 0.254 2250 I C 2.069 178.092 176.117 -0.157 0.000 1.160 2250 I CA 1.103 62.391 61.300 -0.020 0.000 1.445 2250 I CB -0.429 37.575 38.000 0.006 0.000 1.086 2250 I HN 0.199 nan 8.210 nan 0.000 0.433 2251 L N 1.098 122.227 121.223 -0.158 0.000 2.056 2251 L HA -0.120 4.220 4.340 0.001 0.000 0.207 2251 L C 2.690 179.503 176.870 -0.095 0.000 1.078 2251 L CA 1.520 56.257 54.840 -0.172 0.000 0.749 2251 L CB -0.524 41.477 42.059 -0.096 0.000 0.901 2251 L HN 0.274 nan 8.230 nan 0.000 0.433 2252 E N 0.318 120.496 120.200 -0.038 0.000 2.072 2252 E HA -0.202 4.149 4.350 0.001 0.000 0.191 2252 E C 2.259 178.837 176.600 -0.037 0.000 0.985 2252 E CA 1.194 57.584 56.400 -0.017 0.000 0.801 2252 E CB -0.057 29.651 29.700 0.014 0.000 0.750 2252 E HN 0.457 nan 8.360 nan 0.000 0.452 2253 I N 0.765 121.312 120.570 -0.038 0.000 2.252 2253 I HA -0.257 3.913 4.170 0.001 0.000 0.245 2253 I C 2.725 178.809 176.117 -0.054 0.000 1.102 2253 I CA 0.980 62.257 61.300 -0.039 0.000 1.385 2253 I CB -0.241 37.741 38.000 -0.029 0.000 1.064 2253 I HN 0.031 nan 8.210 nan 0.000 0.414 2254 R N 1.057 121.503 120.500 -0.089 0.000 2.081 2254 R HA -0.224 4.116 4.340 0.001 0.000 0.235 2254 R C 2.357 178.574 176.300 -0.138 0.000 1.131 2254 R CA 1.571 57.613 56.100 -0.096 0.000 0.960 2254 R CB -0.240 29.919 30.300 -0.235 0.000 0.856 2254 R HN 0.250 nan 8.270 nan 0.000 0.436 2255 E N 0.298 120.427 120.200 -0.118 0.000 2.085 2255 E HA -0.153 4.197 4.350 0.001 0.000 0.194 2255 E C 1.849 178.372 176.600 -0.127 0.000 0.994 2255 E CA 1.699 58.033 56.400 -0.109 0.000 0.801 2255 E CB 0.028 29.688 29.700 -0.066 0.000 0.743 2255 E HN 0.288 nan 8.360 nan 0.000 0.453 2256 V N 0.892 120.749 119.914 -0.096 0.000 2.346 2256 V HA -0.127 3.994 4.120 0.001 0.000 0.244 2256 V C 2.532 178.576 176.094 -0.083 0.000 1.037 2256 V CA 1.589 63.846 62.300 -0.072 0.000 1.029 2256 V CB -0.756 31.055 31.823 -0.020 0.000 0.663 2256 V HN 0.316 nan 8.190 nan 0.000 0.454 2257 A N 0.890 123.654 122.820 -0.092 0.000 2.015 2257 A HA -0.157 4.163 4.320 0.001 0.000 0.219 2257 A C 2.488 179.768 177.584 -0.508 0.000 1.163 2257 A CA 1.776 53.765 52.037 -0.080 0.000 0.646 2257 A CB -0.690 18.324 19.000 0.023 0.000 0.806 2257 A HN 0.672 nan 8.150 nan 0.000 0.448 2258 S N 0.368 115.558 115.700 -0.850 0.000 2.420 2258 S HA -0.258 4.213 4.470 0.001 0.000 0.237 2258 S C 1.827 175.946 174.600 -0.802 0.000 1.023 2258 S CA 1.635 58.977 58.200 -1.430 0.000 0.991 2258 S CB -0.440 62.355 63.200 -0.674 0.000 0.792 2258 S HN 0.668 nan 8.310 nan 0.000 0.488 2259 K N 0.483 120.530 120.400 -0.588 0.000 2.211 2259 K HA -0.123 4.198 4.320 0.001 0.000 0.204 2259 K C 0.813 177.024 176.600 -0.648 0.000 1.047 2259 K CA 1.366 57.280 56.287 -0.621 0.000 0.935 2259 K CB -0.226 31.783 32.500 -0.818 0.000 0.728 2259 K HN 0.649 nan 8.250 nan 0.000 0.452 2260 Y N -0.790 119.396 120.300 -0.190 0.000 2.458 2260 Y HA 0.138 4.689 4.550 0.001 0.000 0.256 2260 Y C -0.302 175.643 175.900 0.074 0.000 1.159 2260 Y CA -1.035 57.032 58.100 -0.056 0.000 1.261 2260 Y CB 0.219 38.656 38.460 -0.038 0.000 1.119 2260 Y HN -0.134 nan 8.280 nan 0.000 0.524 2261 Y N 2.197 122.540 120.300 0.072 0.000 2.632 2261 Y HA 0.077 4.627 4.550 0.001 0.000 0.329 2261 Y C 0.684 176.604 175.900 0.033 0.000 1.174 2261 Y CA -1.046 57.082 58.100 0.047 0.000 1.469 2261 Y CB -0.118 38.357 38.460 0.025 0.000 1.242 2261 Y HN 0.135 nan 8.280 nan 0.000 0.540 2262 E N 0.800 121.111 120.200 0.185 0.000 2.398 2262 E HA 0.136 4.487 4.350 0.001 0.000 0.263 2262 E C -0.104 176.538 176.600 0.070 0.000 1.046 2262 E CA -0.042 56.418 56.400 0.100 0.000 0.908 2262 E CB 0.307 30.044 29.700 0.061 0.000 0.963 2262 E HN 0.435 nan 8.360 nan 0.000 0.431 2263 T N 3.617 118.200 114.554 0.049 0.000 2.870 2263 T HA 0.198 4.549 4.350 0.001 0.000 0.300 2263 T C 0.905 175.610 174.700 0.009 0.000 0.989 2263 T CA -0.258 61.861 62.100 0.031 0.000 1.139 2263 T CB -0.091 68.792 68.868 0.025 0.000 0.920 2263 T HN 0.568 nan 8.240 nan 0.000 0.537 2264 I N 0.000 120.568 120.570 -0.004 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 2264 I CB 0.000 37.990 38.000 -0.017 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494