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 1t99_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPCA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCGQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGX 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 0.000 176.693 176.600 0.155 0.000 0.988 2003 K CA 0.000 56.366 56.287 0.132 0.000 0.838 2003 K CB 0.000 32.572 32.500 0.119 0.000 1.064 2004 F N 1.447 121.407 119.950 0.017 0.000 2.529 2004 F HA 0.256 4.784 4.527 0.001 0.000 0.365 2004 F C -0.299 175.456 175.800 -0.074 0.000 1.102 2004 F CA -0.404 57.587 58.000 -0.015 0.000 1.271 2004 F CB 0.571 39.553 39.000 -0.030 0.000 1.120 2004 F HN 0.389 nan 8.300 nan 0.000 0.579 2005 L N 6.301 127.081 121.223 -0.740 0.000 2.307 2005 L HA 0.515 4.856 4.340 0.001 0.000 0.282 2005 L C -1.066 175.376 176.870 -0.714 0.000 1.051 2005 L CA -0.402 54.090 54.840 -0.580 0.000 0.804 2005 L CB 1.600 43.401 42.059 -0.430 0.000 1.197 2005 L HN 0.362 nan 8.230 nan 0.000 0.431 2006 V N 6.455 126.040 119.914 -0.548 0.000 2.380 2006 V HA 0.416 4.537 4.120 0.001 0.000 0.286 2006 V C -0.189 175.699 176.094 -0.342 0.000 1.015 2006 V CA -0.429 61.576 62.300 -0.491 0.000 0.834 2006 V CB 1.453 32.836 31.823 -0.732 0.000 1.009 2006 V HN 0.514 nan 8.190 nan 0.000 0.428 2007 I N 4.670 125.066 120.570 -0.290 0.000 2.312 2007 I HA 0.801 4.972 4.170 0.001 0.000 0.290 2007 I C 0.367 176.211 176.117 -0.455 0.000 1.008 2007 I CA -0.050 61.062 61.300 -0.314 0.000 1.226 2007 I CB 1.429 39.261 38.000 -0.281 0.000 1.371 2007 I HN 0.674 nan 8.210 nan 0.000 0.468 2008 A N 4.606 127.200 122.820 -0.376 0.000 2.594 2008 A HA 1.018 5.339 4.320 0.001 0.000 0.291 2008 A C -0.398 176.885 177.584 -0.503 0.000 1.105 2008 A CA -0.284 51.508 52.037 -0.409 0.000 0.694 2008 A CB 2.012 20.899 19.000 -0.189 0.000 1.291 2008 A HN 0.912 nan 8.150 nan 0.000 0.410 2009 G N -0.381 108.127 108.800 -0.486 0.000 2.337 2009 G HA2 0.504 4.464 3.960 0.001 0.000 0.298 2009 G HA3 0.504 4.464 3.960 0.001 0.000 0.298 2009 G C -3.574 171.123 174.900 -0.339 0.000 1.335 2009 G CA -0.185 44.547 45.100 -0.612 0.000 0.875 2009 G HN 0.734 nan 8.290 nan 0.000 0.579 2010 P HA 0.255 nan 4.420 nan 0.000 0.275 2010 P C 1.299 178.603 177.300 0.007 0.000 1.228 2010 P CA -0.023 63.059 63.100 -0.029 0.000 0.786 2010 P CB 1.739 33.459 31.700 0.032 0.000 0.927 2011 C N 3.032 122.383 119.300 0.084 0.000 2.388 2011 C HA 0.004 4.465 4.460 0.001 0.000 0.277 2011 C C 1.332 176.415 174.990 0.156 0.000 1.210 2011 C CA 1.689 60.782 59.018 0.125 0.000 1.743 2011 C CB -1.415 26.420 27.740 0.158 0.000 2.047 2011 C HN 0.694 nan 8.230 nan 0.000 0.458 2012 A N -0.415 122.535 122.820 0.216 0.000 2.340 2012 A HA 0.691 5.012 4.320 0.001 0.000 0.331 2012 A C -0.301 177.481 177.584 0.330 0.000 1.140 2012 A CA -0.576 51.638 52.037 0.295 0.000 0.801 2012 A CB 0.359 19.645 19.000 0.477 0.000 1.234 2012 A HN 0.487 nan 8.150 nan 0.000 0.469 2013 I N 2.441 123.239 120.570 0.379 0.000 2.352 2013 I HA 0.006 4.177 4.170 0.001 0.000 0.303 2013 I C 0.898 177.336 176.117 0.534 0.000 1.194 2013 I CA 0.298 61.850 61.300 0.420 0.000 1.518 2013 I CB -0.190 38.081 38.000 0.451 0.000 1.489 2013 I HN 0.855 nan 8.210 nan 0.000 0.702 2014 E N 2.875 123.313 120.200 0.398 0.000 2.268 2014 E HA -0.095 4.256 4.350 0.001 0.000 0.195 2014 E C 0.348 177.158 176.600 0.349 0.000 0.995 2014 E CA 0.617 57.211 56.400 0.322 0.000 0.836 2014 E CB 0.141 29.910 29.700 0.116 0.000 0.763 2014 E HN 0.726 nan 8.360 nan 0.000 0.491 2015 S N -1.152 114.738 115.700 0.316 0.000 2.678 2015 S HA -0.007 4.464 4.470 0.001 0.000 0.290 2015 S C 0.243 174.983 174.600 0.234 0.000 1.047 2015 S CA -0.624 57.737 58.200 0.269 0.000 0.851 2015 S CB 0.914 64.199 63.200 0.140 0.000 1.058 2015 S HN 0.229 nan 8.310 nan 0.000 0.451 2016 E N 1.207 121.518 120.200 0.183 0.000 2.265 2016 E HA -0.205 4.146 4.350 0.001 0.000 0.196 2016 E C 1.348 177.977 176.600 0.048 0.000 0.996 2016 E CA 1.255 57.678 56.400 0.038 0.000 0.832 2016 E CB -0.162 29.463 29.700 -0.124 0.000 0.756 2016 E HN 0.783 nan 8.360 nan 0.000 0.491 2017 E N 1.014 121.255 120.200 0.067 0.000 2.017 2017 E HA -0.241 4.110 4.350 0.001 0.000 0.193 2017 E C 2.253 178.884 176.600 0.052 0.000 0.997 2017 E CA 1.290 57.720 56.400 0.049 0.000 0.804 2017 E CB -0.227 29.502 29.700 0.048 0.000 0.757 2017 E HN 0.383 nan 8.360 nan 0.000 0.448 2018 L N 1.222 122.481 121.223 0.060 0.000 2.081 2018 L HA -0.184 4.157 4.340 0.001 0.000 0.212 2018 L C 2.259 179.168 176.870 0.065 0.000 1.080 2018 L CA 1.624 56.481 54.840 0.029 0.000 0.754 2018 L CB -0.417 41.653 42.059 0.018 0.000 0.893 2018 L HN 0.269 nan 8.230 nan 0.000 0.433 2019 L N -1.112 120.187 121.223 0.126 0.000 2.131 2019 L HA -0.216 4.125 4.340 0.001 0.000 0.210 2019 L C 2.516 179.418 176.870 0.054 0.000 1.092 2019 L CA 1.285 56.241 54.840 0.194 0.000 0.759 2019 L CB -0.580 41.578 42.059 0.165 0.000 0.903 2019 L HN 0.386 nan 8.230 nan 0.000 0.435 2020 L N -0.336 120.924 121.223 0.061 0.000 2.179 2020 L HA -0.162 4.179 4.340 0.001 0.000 0.208 2020 L C 2.629 179.568 176.870 0.115 0.000 1.096 2020 L CA 0.900 55.829 54.840 0.149 0.000 0.779 2020 L CB -0.369 41.761 42.059 0.119 0.000 0.922 2020 L HN 0.233 nan 8.230 nan 0.000 0.443 2021 K N 0.215 120.646 120.400 0.051 0.000 2.057 2021 K HA -0.115 4.206 4.320 0.001 0.000 0.206 2021 K C 1.969 178.547 176.600 -0.037 0.000 1.050 2021 K CA 1.082 57.374 56.287 0.007 0.000 0.935 2021 K CB 0.150 32.646 32.500 -0.007 0.000 0.715 2021 K HN 0.049 nan 8.250 nan 0.000 0.439 2022 V N 0.629 120.547 119.914 0.006 0.000 2.379 2022 V HA -0.109 4.012 4.120 0.001 0.000 0.245 2022 V C 2.374 178.471 176.094 0.005 0.000 1.044 2022 V CA 1.994 64.318 62.300 0.041 0.000 1.036 2022 V CB -0.658 31.257 31.823 0.152 0.000 0.664 2022 V HN 0.601 nan 8.190 nan 0.000 0.453 2023 G N -0.704 108.048 108.800 -0.081 0.000 2.450 2023 G HA2 -0.298 3.663 3.960 0.001 0.000 0.220 2023 G HA3 -0.298 3.663 3.960 0.001 0.000 0.220 2023 G C 1.508 175.732 174.900 -1.126 0.000 1.130 2023 G CA 0.999 45.797 45.100 -0.504 0.000 0.760 2023 G HN 0.570 nan 8.290 nan 0.000 0.557 2024 E N 0.089 119.707 120.200 -0.970 0.000 2.051 2024 E HA -0.177 4.174 4.350 0.001 0.000 0.192 2024 E C 2.320 178.645 176.600 -0.459 0.000 0.991 2024 E CA 1.341 57.249 56.400 -0.820 0.000 0.799 2024 E CB -0.082 29.480 29.700 -0.230 0.000 0.748 2024 E HN 0.408 nan 8.360 nan 0.000 0.449 2025 E N 0.705 120.732 120.200 -0.288 0.000 2.072 2025 E HA -0.132 4.218 4.350 0.001 0.000 0.191 2025 E C 1.901 178.369 176.600 -0.219 0.000 0.985 2025 E CA 1.099 57.387 56.400 -0.186 0.000 0.801 2025 E CB -0.231 29.404 29.700 -0.108 0.000 0.750 2025 E HN 0.371 nan 8.360 nan 0.000 0.452 2026 I N 0.215 120.644 120.570 -0.235 0.000 2.394 2026 I HA -0.199 3.972 4.170 0.001 0.000 0.251 2026 I C 2.171 178.046 176.117 -0.403 0.000 1.136 2026 I CA 0.863 62.009 61.300 -0.258 0.000 1.425 2026 I CB -0.172 37.800 38.000 -0.048 0.000 1.079 2026 I HN 0.051 nan 8.210 nan 0.000 0.425 2027 K N 1.510 121.673 120.400 -0.395 0.000 2.026 2027 K HA -0.186 4.134 4.320 0.001 0.000 0.208 2027 K C 2.205 178.650 176.600 -0.259 0.000 1.048 2027 K CA 1.570 57.666 56.287 -0.318 0.000 0.929 2027 K CB -0.327 31.957 32.500 -0.360 0.000 0.713 2027 K HN 0.063 nan 8.250 nan 0.000 0.439 2028 R N -0.273 120.084 120.500 -0.238 0.000 2.083 2028 R HA -0.114 4.226 4.340 0.001 0.000 0.237 2028 R C 1.877 178.063 176.300 -0.189 0.000 1.137 2028 R CA 1.555 57.553 56.100 -0.170 0.000 0.951 2028 R CB -0.295 29.926 30.300 -0.132 0.000 0.851 2028 R HN 0.146 nan 8.270 nan 0.000 0.434 2029 L N 0.495 121.573 121.223 -0.242 0.000 2.093 2029 L HA -0.097 4.244 4.340 0.001 0.000 0.208 2029 L C 2.500 179.174 176.870 -0.328 0.000 1.085 2029 L CA 1.683 56.425 54.840 -0.164 0.000 0.755 2029 L CB -1.359 40.599 42.059 -0.168 0.000 0.904 2029 L HN 0.230 nan 8.230 nan 0.000 0.435 2030 S N -0.718 114.573 115.700 -0.683 0.000 2.383 2030 S HA -0.180 4.291 4.470 0.001 0.000 0.229 2030 S C 1.846 176.394 174.600 -0.086 0.000 1.030 2030 S CA 1.199 59.112 58.200 -0.477 0.000 1.002 2030 S CB 0.017 63.012 63.200 -0.341 0.000 0.829 2030 S HN 0.408 nan 8.310 nan 0.000 0.467 2031 E N 0.841 120.971 120.200 -0.115 0.000 2.216 2031 E HA -0.018 4.333 4.350 0.001 0.000 0.192 2031 E C 1.960 178.506 176.600 -0.089 0.000 0.988 2031 E CA 0.696 57.057 56.400 -0.066 0.000 0.834 2031 E CB -0.221 29.435 29.700 -0.073 0.000 0.772 2031 E HN 0.627 nan 8.360 nan 0.000 0.479 2032 K N -0.380 119.921 120.400 -0.165 0.000 2.137 2032 K HA 0.002 4.323 4.320 0.001 0.000 0.202 2032 K C 0.115 176.444 176.600 -0.453 0.000 1.052 2032 K CA 0.487 56.555 56.287 -0.366 0.000 0.961 2032 K CB 0.181 32.339 32.500 -0.570 0.000 0.741 2032 K HN -0.063 nan 8.250 nan 0.000 0.452 2033 F N 1.698 121.717 119.950 0.116 0.000 2.434 2033 F HA 0.304 4.832 4.527 0.001 0.000 0.316 2033 F C 0.591 176.518 175.800 0.211 0.000 1.222 2033 F CA -0.833 57.282 58.000 0.192 0.000 1.207 2033 F CB 1.170 40.360 39.000 0.318 0.000 1.466 2033 F HN -0.227 nan 8.300 nan 0.000 0.545 2034 K N 1.066 121.601 120.400 0.224 0.000 2.362 2034 K HA -0.207 4.114 4.320 0.001 0.000 0.202 2034 K C 1.614 178.331 176.600 0.196 0.000 1.045 2034 K CA 1.295 57.691 56.287 0.181 0.000 0.936 2034 K CB -0.094 32.466 32.500 0.100 0.000 0.747 2034 K HN 0.686 nan 8.250 nan 0.000 0.467 2035 E N 0.047 120.380 120.200 0.220 0.000 2.285 2035 E HA -0.019 4.332 4.350 0.001 0.000 0.194 2035 E C 0.316 177.031 176.600 0.191 0.000 0.997 2035 E CA 0.248 56.757 56.400 0.182 0.000 0.845 2035 E CB 0.098 29.899 29.700 0.168 0.000 0.782 2035 E HN -0.165 nan 8.360 nan 0.000 0.491 2036 V N 1.928 121.985 119.914 0.240 0.000 2.481 2036 V HA 0.104 4.224 4.120 0.001 0.000 0.286 2036 V C -0.113 176.049 176.094 0.113 0.000 1.042 2036 V CA -0.679 61.696 62.300 0.125 0.000 0.928 2036 V CB 1.474 33.267 31.823 -0.050 0.000 0.986 2036 V HN 0.196 nan 8.190 nan 0.000 0.462 2037 E N 3.996 124.193 120.200 -0.004 0.000 2.001 2037 E HA 0.310 4.661 4.350 0.001 0.000 0.279 2037 E C -1.174 175.386 176.600 -0.066 0.000 1.045 2037 E CA -0.457 55.966 56.400 0.038 0.000 0.833 2037 E CB 0.359 30.071 29.700 0.019 0.000 1.077 2037 E HN 0.494 nan 8.360 nan 0.000 0.397 2038 F N 2.784 122.749 119.950 0.025 0.000 2.389 2038 F HA 0.284 4.811 4.527 0.001 0.000 0.337 2038 F C 0.149 175.948 175.800 -0.002 0.000 1.112 2038 F CA -0.424 57.577 58.000 0.001 0.000 1.192 2038 F CB 1.309 40.326 39.000 0.028 0.000 1.185 2038 F HN 0.126 nan 8.300 nan 0.000 0.552 2039 V N 3.791 123.784 119.914 0.131 0.000 2.569 2039 V HA 0.201 4.322 4.120 0.001 0.000 0.301 2039 V C -0.872 175.269 176.094 0.078 0.000 1.044 2039 V CA -1.024 61.324 62.300 0.080 0.000 0.874 2039 V CB 1.611 33.415 31.823 -0.032 0.000 1.002 2039 V HN 0.539 nan 8.190 nan 0.000 0.424 2040 F N 5.718 125.676 119.950 0.013 0.000 2.467 2040 F HA 0.526 5.054 4.527 0.001 0.000 0.362 2040 F C 0.279 176.064 175.800 -0.026 0.000 1.090 2040 F CA 0.311 58.306 58.000 -0.009 0.000 1.202 2040 F CB 0.477 39.485 39.000 0.014 0.000 1.113 2040 F HN 0.415 nan 8.300 nan 0.000 0.541 2041 K N 4.814 124.816 120.400 -0.663 0.000 2.316 2041 K HA 0.617 4.938 4.320 0.001 0.000 0.251 2041 K C -1.627 174.685 176.600 -0.479 0.000 0.934 2041 K CA -0.457 55.583 56.287 -0.413 0.000 0.802 2041 K CB 1.854 34.117 32.500 -0.395 0.000 1.171 2041 K HN 0.695 nan 8.250 nan 0.000 0.426 2042 S N 1.187 116.814 115.700 -0.122 0.000 2.578 2042 S HA 0.312 4.783 4.470 0.001 0.000 0.285 2042 S C -1.751 172.920 174.600 0.119 0.000 1.126 2042 S CA -0.534 57.671 58.200 0.008 0.000 0.878 2042 S CB 1.093 64.360 63.200 0.111 0.000 1.091 2042 S HN 0.509 nan 8.310 nan 0.000 0.450 2043 S N 3.033 118.800 115.700 0.112 0.000 2.480 2043 S HA 0.403 4.874 4.470 0.001 0.000 0.286 2043 S C 0.726 175.390 174.600 0.108 0.000 1.180 2043 S CA -0.597 57.630 58.200 0.045 0.000 1.075 2043 S CB 0.364 63.559 63.200 -0.008 0.000 0.996 2043 S HN 0.676 nan 8.310 nan 0.000 0.487 2044 F N 0.590 120.646 119.950 0.177 0.000 2.780 2044 F HA 0.452 4.980 4.527 0.001 0.000 0.299 2044 F C 0.373 176.247 175.800 0.124 0.000 1.146 2044 F CA -0.389 57.723 58.000 0.187 0.000 1.428 2044 F CB -0.029 39.076 39.000 0.175 0.000 1.115 2044 F HN 0.454 nan 8.300 nan 0.000 0.583 2045 D N 0.284 120.488 120.400 -0.327 0.000 2.871 2045 D HA 0.209 4.850 4.640 0.001 0.000 0.209 2045 D C -1.492 174.607 176.300 -0.335 0.000 1.292 2045 D CA -0.590 53.238 54.000 -0.285 0.000 0.869 2045 D CB 1.186 41.838 40.800 -0.246 0.000 1.663 2045 D HN -0.174 nan 8.370 nan 0.000 0.557 2046 K N 3.157 123.393 120.400 -0.275 0.000 2.184 2046 K HA 0.498 4.819 4.320 0.001 0.000 0.259 2046 K C 0.629 177.070 176.600 -0.266 0.000 1.119 2046 K CA -0.287 55.880 56.287 -0.199 0.000 0.991 2046 K CB 0.839 33.279 32.500 -0.099 0.000 1.522 2046 K HN 0.483 nan 8.250 nan 0.000 0.405 2047 A N 2.865 125.423 122.820 -0.436 0.000 2.121 2047 A HA -0.121 4.199 4.320 0.001 0.000 0.218 2047 A C 0.784 178.265 177.584 -0.171 0.000 1.154 2047 A CA 0.918 52.708 52.037 -0.412 0.000 0.679 2047 A CB -0.308 18.227 19.000 -0.775 0.000 0.795 2047 A HN 0.757 nan 8.150 nan 0.000 0.458 2048 N N -0.580 118.071 118.700 -0.081 0.000 2.642 2048 N HA 0.128 4.869 4.740 0.001 0.000 0.308 2048 N C -0.862 174.654 175.510 0.010 0.000 1.914 2048 N CA -0.607 52.436 53.050 -0.011 0.000 0.893 2048 N CB 0.641 39.178 38.487 0.082 0.000 1.322 2048 N HN -0.016 nan 8.380 nan 0.000 0.490 2049 R N 0.607 121.094 120.500 -0.022 0.000 2.643 2049 R HA 0.170 4.510 4.340 0.001 0.000 0.270 2049 R C 1.195 177.491 176.300 -0.007 0.000 1.061 2049 R CA -0.080 56.021 56.100 0.001 0.000 1.107 2049 R CB 0.650 30.946 30.300 -0.007 0.000 0.999 2049 R HN 0.238 nan 8.270 nan 0.000 0.460 2050 S N 0.586 116.292 115.700 0.009 0.000 2.356 2050 S HA -0.119 4.352 4.470 0.001 0.000 0.223 2050 S C 1.084 175.666 174.600 -0.030 0.000 1.032 2050 S CA 1.181 59.377 58.200 -0.007 0.000 1.005 2050 S CB -0.025 63.181 63.200 0.010 0.000 0.867 2050 S HN 0.642 nan 8.310 nan 0.000 0.449 2051 S N 0.087 115.775 115.700 -0.021 0.000 2.508 2051 S HA 0.365 4.836 4.470 0.001 0.000 0.284 2051 S C 0.759 175.309 174.600 -0.084 0.000 1.192 2051 S CA -0.710 57.462 58.200 -0.046 0.000 1.070 2051 S CB 0.915 64.117 63.200 0.003 0.000 1.004 2051 S HN 0.201 nan 8.310 nan 0.000 0.493 2052 I N 4.286 124.743 120.570 -0.188 0.000 2.493 2052 I HA -0.015 4.156 4.170 0.001 0.000 0.254 2052 I C 1.137 177.155 176.117 -0.164 0.000 1.160 2052 I CA 1.676 62.846 61.300 -0.217 0.000 1.445 2052 I CB -0.269 37.541 38.000 -0.316 0.000 1.086 2052 I HN 0.839 nan 8.210 nan 0.000 0.433 2053 H N -0.592 118.478 119.070 -0.001 0.000 2.645 2053 H HA 0.334 4.891 4.556 0.002 0.000 0.300 2053 H C 0.443 175.785 175.328 0.024 0.000 1.065 2053 H CA -0.414 55.639 56.048 0.009 0.000 1.173 2053 H CB 0.017 29.785 29.762 0.010 0.000 1.383 2053 H HN 0.166 nan 8.280 nan 0.000 0.566 2054 S N 0.215 115.977 115.700 0.103 0.000 2.704 2054 S HA 0.213 4.684 4.470 0.001 0.000 0.305 2054 S C -0.575 174.089 174.600 0.106 0.000 1.107 2054 S CA -0.844 57.420 58.200 0.106 0.000 0.993 2054 S CB 1.238 64.484 63.200 0.076 0.000 1.110 2054 S HN 0.285 nan 8.310 nan 0.000 0.534 2055 F N 2.005 121.955 119.950 0.001 0.000 2.504 2055 F HA 0.289 4.817 4.527 0.001 0.000 0.369 2055 F C 1.228 177.008 175.800 -0.032 0.000 1.082 2055 F CA 0.208 58.194 58.000 -0.024 0.000 1.216 2055 F CB 0.406 39.396 39.000 -0.017 0.000 1.108 2055 F HN 0.545 nan 8.300 nan 0.000 0.554 2056 R N 3.246 123.226 120.500 -0.868 0.000 2.225 2056 R HA 0.462 4.802 4.340 0.001 0.000 0.194 2056 R C 0.631 176.305 176.300 -1.042 0.000 0.949 2056 R CA 0.201 55.876 56.100 -0.708 0.000 1.088 2056 R CB 0.379 30.447 30.300 -0.385 0.000 1.106 2056 R HN 0.917 nan 8.270 nan 0.000 0.566 2057 G N -0.523 107.363 108.800 -1.523 0.000 2.320 2057 G HA2 -0.092 3.869 3.960 0.001 0.000 0.274 2057 G HA3 -0.092 3.869 3.960 0.001 0.000 0.274 2057 G C -1.058 173.501 174.900 -0.569 0.000 1.324 2057 G CA -0.782 43.752 45.100 -0.943 0.000 0.957 2057 G HN 0.313 nan 8.290 nan 0.000 0.481 2058 H N 0.196 119.281 119.070 0.025 0.000 2.674 2058 H HA 0.528 5.085 4.556 0.001 0.000 0.274 2058 H C 0.967 176.347 175.328 0.088 0.000 1.121 2058 H CA 0.977 57.008 56.048 -0.028 0.000 1.132 2058 H CB 0.951 30.501 29.762 -0.353 0.000 1.606 2058 H HN 1.820 nan 8.280 nan 0.000 0.558 2059 G N 0.274 109.224 108.800 0.251 0.000 2.629 2059 G HA2 -0.206 3.755 3.960 0.001 0.000 0.686 2059 G HA3 -0.206 3.755 3.960 0.001 0.000 0.686 2059 G C 0.097 175.180 174.900 0.306 0.000 1.232 2059 G CA -0.325 44.940 45.100 0.274 0.000 0.803 2059 G HN 0.160 nan 8.290 nan 0.000 0.638 2060 L N 0.457 121.766 121.223 0.143 0.000 2.027 2060 L HA 0.135 4.476 4.340 0.001 0.000 0.206 2060 L C 2.478 179.247 176.870 -0.169 0.000 1.074 2060 L CA 3.064 57.694 54.840 -0.349 0.000 0.745 2060 L CB -0.850 40.974 42.059 -0.392 0.000 0.898 2060 L HN 0.833 nan 8.230 nan 0.000 0.433 2061 E N -1.614 118.594 120.200 0.013 0.000 2.031 2061 E HA -0.303 4.048 4.350 0.001 0.000 0.193 2061 E C 2.152 178.800 176.600 0.080 0.000 0.994 2061 E CA 1.751 58.175 56.400 0.040 0.000 0.800 2061 E CB -0.389 29.359 29.700 0.080 0.000 0.752 2061 E HN 0.621 nan 8.360 nan 0.000 0.447 2062 Y N 0.625 120.957 120.300 0.053 0.000 2.224 2062 Y HA -0.163 4.388 4.550 0.001 0.000 0.289 2062 Y C 2.107 178.061 175.900 0.090 0.000 1.146 2062 Y CA 1.810 59.955 58.100 0.075 0.000 1.182 2062 Y CB -0.474 38.060 38.460 0.123 0.000 0.983 2062 Y HN 0.014 nan 8.280 nan 0.000 0.524 2063 G N -0.623 108.329 108.800 0.253 0.000 2.404 2063 G HA2 -0.216 3.745 3.960 0.001 0.000 0.215 2063 G HA3 -0.216 3.745 3.960 0.001 0.000 0.215 2063 G C 1.676 176.612 174.900 0.059 0.000 1.174 2063 G CA 1.192 46.428 45.100 0.227 0.000 0.780 2063 G HN 0.339 nan 8.290 nan 0.000 0.537 2064 V N 0.782 120.677 119.914 -0.032 0.000 2.407 2064 V HA -0.168 3.953 4.120 0.001 0.000 0.248 2064 V C 2.688 178.749 176.094 -0.055 0.000 1.055 2064 V CA 2.272 64.543 62.300 -0.049 0.000 1.049 2064 V CB -0.371 31.395 31.823 -0.095 0.000 0.662 2064 V HN 0.408 nan 8.190 nan 0.000 0.455 2065 K N 0.066 120.408 120.400 -0.096 0.000 2.026 2065 K HA -0.159 4.162 4.320 0.001 0.000 0.208 2065 K C 2.226 178.727 176.600 -0.166 0.000 1.048 2065 K CA 1.493 57.701 56.287 -0.131 0.000 0.929 2065 K CB -0.326 32.075 32.500 -0.166 0.000 0.713 2065 K HN 0.433 nan 8.250 nan 0.000 0.439 2066 A N 1.143 123.824 122.820 -0.232 0.000 1.902 2066 A HA -0.122 4.199 4.320 0.001 0.000 0.217 2066 A C 2.073 179.608 177.584 -0.081 0.000 1.181 2066 A CA 1.264 53.184 52.037 -0.194 0.000 0.623 2066 A CB -0.572 18.307 19.000 -0.203 0.000 0.818 2066 A HN 0.306 nan 8.150 nan 0.000 0.443 2067 L N -1.348 119.868 121.223 -0.011 0.000 2.141 2067 L HA -0.123 4.218 4.340 0.001 0.000 0.209 2067 L C 2.733 179.588 176.870 -0.026 0.000 1.094 2067 L CA 1.462 56.319 54.840 0.028 0.000 0.763 2067 L CB -0.450 41.678 42.059 0.116 0.000 0.908 2067 L HN 0.444 nan 8.230 nan 0.000 0.437 2068 R N 0.863 121.339 120.500 -0.041 0.000 2.091 2068 R HA -0.239 4.102 4.340 0.001 0.000 0.238 2068 R C 2.332 178.583 176.300 -0.081 0.000 1.136 2068 R CA 1.691 57.761 56.100 -0.050 0.000 0.959 2068 R CB -0.037 30.230 30.300 -0.054 0.000 0.856 2068 R HN 0.016 nan 8.270 nan 0.000 0.437 2069 K N -0.134 120.202 120.400 -0.107 0.000 2.103 2069 K HA -0.086 4.235 4.320 0.001 0.000 0.207 2069 K C 1.693 178.191 176.600 -0.170 0.000 1.048 2069 K CA 1.540 57.743 56.287 -0.139 0.000 0.930 2069 K CB -0.149 32.266 32.500 -0.142 0.000 0.716 2069 K HN 0.090 nan 8.250 nan 0.000 0.444 2070 V N 0.687 120.509 119.914 -0.152 0.000 2.323 2070 V HA -0.150 3.971 4.120 0.001 0.000 0.244 2070 V C 2.352 178.407 176.094 -0.065 0.000 1.041 2070 V CA 1.913 64.130 62.300 -0.137 0.000 1.025 2070 V CB -0.437 31.136 31.823 -0.417 0.000 0.656 2070 V HN 0.389 nan 8.190 nan 0.000 0.451 2071 K N 0.029 120.393 120.400 -0.060 0.000 2.147 2071 K HA -0.245 4.075 4.320 0.001 0.000 0.205 2071 K C 2.157 178.734 176.600 -0.037 0.000 1.049 2071 K CA 1.879 58.158 56.287 -0.014 0.000 0.936 2071 K CB 0.015 32.516 32.500 0.002 0.000 0.722 2071 K HN 0.650 nan 8.250 nan 0.000 0.446 2072 E N 0.421 120.568 120.200 -0.087 0.000 2.042 2072 E HA -0.189 4.162 4.350 0.001 0.000 0.189 2072 E C 1.885 178.379 176.600 -0.175 0.000 0.974 2072 E CA 0.842 57.177 56.400 -0.108 0.000 0.806 2072 E CB -0.007 29.626 29.700 -0.112 0.000 0.769 2072 E HN 0.333 nan 8.360 nan 0.000 0.451 2073 E N -0.986 119.028 120.200 -0.310 0.000 2.106 2073 E HA -0.149 4.201 4.350 0.001 0.000 0.192 2073 E C 1.152 177.384 176.600 -0.613 0.000 0.984 2073 E CA 1.159 57.224 56.400 -0.558 0.000 0.806 2073 E CB 0.052 29.221 29.700 -0.884 0.000 0.750 2073 E HN 0.304 nan 8.360 nan 0.000 0.458 2074 F N -1.297 118.597 119.950 -0.093 0.000 2.706 2074 F HA 0.356 4.884 4.527 0.001 0.000 0.308 2074 F C 1.410 177.178 175.800 -0.055 0.000 1.095 2074 F CA 0.385 58.336 58.000 -0.081 0.000 1.244 2074 F CB 0.931 39.865 39.000 -0.110 0.000 1.063 2074 F HN 0.096 nan 8.300 nan 0.000 0.582 2075 G N 1.615 110.466 108.800 0.086 0.000 2.203 2075 G HA2 -0.311 3.650 3.960 0.001 0.000 0.263 2075 G HA3 -0.311 3.650 3.960 0.001 0.000 0.263 2075 G C 0.150 175.101 174.900 0.085 0.000 1.012 2075 G CA 0.090 45.227 45.100 0.062 0.000 0.749 2075 G HN 0.302 nan 8.290 nan 0.000 0.512 2076 L N -0.429 120.858 121.223 0.108 0.000 2.399 2076 L HA 0.426 4.767 4.340 0.001 0.000 0.266 2076 L C 1.231 178.169 176.870 0.113 0.000 1.114 2076 L CA -0.739 54.171 54.840 0.116 0.000 0.804 2076 L CB 0.791 42.926 42.059 0.128 0.000 1.146 2076 L HN 0.034 nan 8.230 nan 0.000 0.451 2077 K N 1.831 122.305 120.400 0.123 0.000 2.180 2077 K HA 0.435 4.756 4.320 0.001 0.000 0.251 2077 K C -0.650 176.032 176.600 0.137 0.000 1.014 2077 K CA -0.412 55.940 56.287 0.108 0.000 0.913 2077 K CB 0.848 33.402 32.500 0.090 0.000 1.008 2077 K HN 0.296 nan 8.250 nan 0.000 0.490 2078 I N 0.417 121.057 120.570 0.117 0.000 2.892 2078 I HA 0.311 4.482 4.170 0.001 0.000 0.306 2078 I C -0.127 176.053 176.117 0.104 0.000 1.078 2078 I CA -0.449 60.939 61.300 0.147 0.000 1.032 2078 I CB 1.984 40.069 38.000 0.142 0.000 1.229 2078 I HN 0.561 nan 8.210 nan 0.000 0.435 2079 T N 2.232 116.851 114.554 0.109 0.000 3.193 2079 T HA 0.524 4.875 4.350 0.001 0.000 0.332 2079 T C -1.091 173.663 174.700 0.091 0.000 1.208 2079 T CA -0.187 61.957 62.100 0.073 0.000 1.080 2079 T CB 1.478 70.362 68.868 0.028 0.000 1.180 2079 T HN 0.866 nan 8.240 nan 0.000 0.469 2080 T N 2.477 117.092 114.554 0.100 0.000 2.843 2080 T HA 0.615 4.966 4.350 0.001 0.000 0.302 2080 T C -1.918 172.811 174.700 0.049 0.000 1.232 2080 T CA -0.705 61.465 62.100 0.116 0.000 1.009 2080 T CB 1.487 70.505 68.868 0.251 0.000 1.254 2080 T HN 0.774 nan 8.240 nan 0.000 0.504 2081 D N 2.467 122.835 120.400 -0.055 0.000 2.181 2081 D HA 0.489 5.130 4.640 0.001 0.000 0.248 2081 D C 0.236 176.300 176.300 -0.394 0.000 1.020 2081 D CA -0.655 53.219 54.000 -0.210 0.000 0.891 2081 D CB 1.163 41.807 40.800 -0.259 0.000 1.187 2081 D HN 0.764 nan 8.370 nan 0.000 0.443 2082 I N -2.045 118.291 120.570 -0.391 0.000 2.607 2082 I HA 0.467 4.638 4.170 0.001 0.000 0.305 2082 I C -0.386 175.349 176.117 -0.637 0.000 0.995 2082 I CA -0.929 60.141 61.300 -0.383 0.000 1.148 2082 I CB 1.776 39.680 38.000 -0.161 0.000 1.323 2082 I HN 0.313 nan 8.210 nan 0.000 0.461 2083 H N 0.880 119.890 119.070 -0.099 0.000 3.058 2083 H HA 0.443 5.000 4.556 0.001 0.000 0.258 2083 H C -0.552 174.742 175.328 -0.057 0.000 1.015 2083 H CA -0.180 55.825 56.048 -0.073 0.000 1.210 2083 H CB 0.779 30.503 29.762 -0.065 0.000 1.481 2083 H HN 0.614 nan 8.280 nan 0.000 0.492 2084 E N -0.552 119.613 120.200 -0.058 0.000 2.390 2084 E HA 0.262 4.612 4.350 0.001 0.000 0.277 2084 E C 0.050 176.556 176.600 -0.157 0.000 0.939 2084 E CA -0.316 56.058 56.400 -0.044 0.000 0.769 2084 E CB 2.388 32.144 29.700 0.093 0.000 1.251 2084 E HN -0.047 nan 8.360 nan 0.000 0.450 2085 S N 1.278 116.977 115.700 -0.000 0.000 2.392 2085 S HA -0.176 4.295 4.470 0.001 0.000 0.232 2085 S C 1.523 176.147 174.600 0.040 0.000 1.041 2085 S CA 1.784 60.000 58.200 0.026 0.000 1.026 2085 S CB -0.250 63.006 63.200 0.094 0.000 0.845 2085 S HN 0.726 nan 8.310 nan 0.000 0.465 2086 W N 1.766 123.100 121.300 0.057 0.000 2.525 2086 W HA -0.047 4.613 4.660 0.001 0.000 0.259 2086 W C 1.042 177.593 176.519 0.053 0.000 1.253 2086 W CA 0.615 57.990 57.345 0.049 0.000 1.262 2086 W CB -0.687 28.800 29.460 0.045 0.000 1.122 2086 W HN 0.409 nan 8.180 nan 0.000 0.607 2087 Q N 0.739 120.125 119.800 -0.690 0.000 2.424 2087 Q HA 0.083 4.424 4.340 0.001 0.000 0.204 2087 Q C 2.623 178.483 176.000 -0.233 0.000 0.933 2087 Q CA 0.868 56.267 55.803 -0.673 0.000 0.929 2087 Q CB -0.125 28.113 28.738 -0.834 0.000 1.037 2087 Q HN 0.285 nan 8.270 nan 0.000 0.511 2088 A N 1.655 124.397 122.820 -0.130 0.000 1.865 2088 A HA -0.241 4.080 4.320 0.001 0.000 0.217 2088 A C 2.018 179.593 177.584 -0.014 0.000 1.191 2088 A CA 1.426 53.433 52.037 -0.049 0.000 0.623 2088 A CB -0.276 18.714 19.000 -0.018 0.000 0.826 2088 A HN 0.158 nan 8.150 nan 0.000 0.444 2089 E N -0.612 119.597 120.200 0.015 0.000 2.031 2089 E HA -0.117 4.234 4.350 0.001 0.000 0.193 2089 E C -0.088 176.524 176.600 0.020 0.000 0.994 2089 E CA 1.729 58.147 56.400 0.030 0.000 0.800 2089 E CB -1.434 28.299 29.700 0.055 0.000 0.752 2089 E HN 0.523 nan 8.360 nan 0.000 0.447 2090 P HA -0.100 nan 4.420 nan 0.000 0.216 2090 P C 1.787 179.065 177.300 -0.035 0.000 1.150 2090 P CA 1.056 64.159 63.100 0.004 0.000 0.837 2090 P CB 0.017 31.732 31.700 0.026 0.000 0.786 2091 V N 0.961 120.839 119.914 -0.059 0.000 2.358 2091 V HA -0.176 3.945 4.120 0.001 0.000 0.246 2091 V C 2.801 178.895 176.094 0.001 0.000 1.047 2091 V CA 2.016 64.290 62.300 -0.043 0.000 1.035 2091 V CB -1.676 30.138 31.823 -0.016 0.000 0.658 2091 V HN 0.101 nan 8.190 nan 0.000 0.452 2092 A N -0.353 122.470 122.820 0.006 0.000 2.186 2092 A HA -0.184 4.137 4.320 0.001 0.000 0.219 2092 A C 2.085 179.681 177.584 0.019 0.000 1.159 2092 A CA 1.359 53.407 52.037 0.019 0.000 0.680 2092 A CB -0.337 18.675 19.000 0.020 0.000 0.787 2092 A HN 0.594 nan 8.150 nan 0.000 0.467 2093 E N -0.266 119.940 120.200 0.011 0.000 2.106 2093 E HA -0.109 4.242 4.350 0.001 0.000 0.192 2093 E C 1.899 178.507 176.600 0.013 0.000 0.984 2093 E CA 1.617 58.023 56.400 0.010 0.000 0.806 2093 E CB -0.308 29.393 29.700 0.002 0.000 0.750 2093 E HN 0.508 nan 8.360 nan 0.000 0.458 2094 V N 0.708 120.632 119.914 0.016 0.000 2.908 2094 V HA 0.189 4.310 4.120 0.001 0.000 0.240 2094 V C 1.090 177.211 176.094 0.045 0.000 1.117 2094 V CA 0.514 62.829 62.300 0.025 0.000 1.133 2094 V CB -0.226 31.611 31.823 0.023 0.000 0.857 2094 V HN 0.092 nan 8.190 nan 0.000 0.478 2095 A N 1.007 123.859 122.820 0.052 0.000 2.491 2095 A HA 0.091 4.412 4.320 0.001 0.000 0.261 2095 A C 0.972 178.590 177.584 0.057 0.000 1.101 2095 A CA 0.138 52.214 52.037 0.065 0.000 0.772 2095 A CB -0.168 18.873 19.000 0.070 0.000 1.043 2095 A HN 0.452 nan 8.150 nan 0.000 0.501 2096 D N 1.522 121.960 120.400 0.063 0.000 2.249 2096 D HA 0.078 4.718 4.640 0.001 0.000 0.205 2096 D C 0.191 176.531 176.300 0.066 0.000 0.962 2096 D CA 1.335 55.371 54.000 0.061 0.000 0.860 2096 D CB 0.246 41.084 40.800 0.064 0.000 0.955 2096 D HN 0.595 nan 8.370 nan 0.000 0.505 2097 I N 1.480 122.086 120.570 0.060 0.000 2.478 2097 I HA 0.277 4.448 4.170 0.001 0.000 0.287 2097 I C -0.425 175.723 176.117 0.052 0.000 1.042 2097 I CA -0.642 60.695 61.300 0.062 0.000 1.067 2097 I CB 2.729 40.741 38.000 0.020 0.000 1.233 2097 I HN -0.323 nan 8.210 nan 0.000 0.431 2098 I N 5.513 126.115 120.570 0.053 0.000 2.342 2098 I HA 0.206 4.377 4.170 0.001 0.000 0.291 2098 I C 0.170 176.297 176.117 0.017 0.000 1.010 2098 I CA -0.190 61.129 61.300 0.033 0.000 1.308 2098 I CB 1.243 39.257 38.000 0.023 0.000 1.400 2098 I HN 0.598 nan 8.210 nan 0.000 0.488 2099 Q N 6.429 126.226 119.800 -0.006 0.000 2.257 2099 Q HA 0.403 4.744 4.340 0.001 0.000 0.255 2099 Q C -1.090 174.855 176.000 -0.091 0.000 0.920 2099 Q CA -0.736 55.046 55.803 -0.035 0.000 0.927 2099 Q CB 1.356 30.083 28.738 -0.018 0.000 1.229 2099 Q HN 0.472 nan 8.270 nan 0.000 0.433 2100 I N 6.817 127.333 120.570 -0.090 0.000 2.330 2100 I HA 0.335 4.505 4.170 0.001 0.000 0.289 2100 I C -2.167 173.868 176.117 -0.135 0.000 1.001 2100 I CA -2.636 58.602 61.300 -0.104 0.000 1.193 2100 I CB 0.842 38.806 38.000 -0.059 0.000 1.345 2100 I HN 0.503 nan 8.210 nan 0.000 0.461 2101 P HA 0.038 nan 4.420 nan 0.000 0.267 2101 P C 0.662 177.859 177.300 -0.172 0.000 1.201 2101 P CA 0.105 63.107 63.100 -0.163 0.000 0.775 2101 P CB 0.871 32.533 31.700 -0.063 0.000 0.854 2102 A N 2.036 124.664 122.820 -0.320 0.000 1.908 2102 A HA -0.210 4.110 4.320 0.001 0.000 0.218 2102 A C 1.700 179.175 177.584 -0.182 0.000 1.181 2102 A CA 1.704 53.521 52.037 -0.368 0.000 0.627 2102 A CB -1.609 17.050 19.000 -0.569 0.000 0.818 2102 A HN 0.507 nan 8.150 nan 0.000 0.445 2103 F N -0.137 119.836 119.950 0.037 0.000 2.269 2103 F HA -0.016 4.512 4.527 0.001 0.000 0.301 2103 F C 1.674 177.582 175.800 0.180 0.000 1.082 2103 F CA 0.745 58.859 58.000 0.190 0.000 1.360 2103 F CB -0.446 38.619 39.000 0.108 0.000 1.041 2103 F HN 0.092 nan 8.300 nan 0.000 0.512 2104 L N -0.317 121.054 121.223 0.248 0.000 2.653 2104 L HA 0.077 4.417 4.340 0.001 0.000 0.231 2104 L C 1.956 178.890 176.870 0.107 0.000 1.153 2104 L CA -0.059 54.874 54.840 0.155 0.000 0.933 2104 L CB -0.876 41.241 42.059 0.097 0.000 1.175 2104 L HN 0.288 nan 8.230 nan 0.000 0.473 2105 C N -1.528 117.841 119.300 0.115 0.000 2.430 2105 C HA 0.034 4.495 4.460 0.001 0.000 0.288 2105 C C 2.074 177.115 174.990 0.085 0.000 1.448 2105 C CA 0.450 59.503 59.018 0.058 0.000 1.784 2105 C CB -1.648 26.086 27.740 -0.010 0.000 1.776 2105 C HN 0.549 nan 8.230 nan 0.000 0.547 2106 G N -0.951 107.931 108.800 0.136 0.000 3.159 2106 G HA2 0.187 4.148 3.960 0.001 0.000 0.232 2106 G HA3 0.187 4.148 3.960 0.001 0.000 0.232 2106 G C 0.566 175.492 174.900 0.044 0.000 1.116 2106 G CA -0.095 45.059 45.100 0.090 0.000 0.767 2106 G HN 0.535 nan 8.290 nan 0.000 0.547 2107 Q N 1.492 121.320 119.800 0.047 0.000 2.381 2107 Q HA 0.159 4.500 4.340 0.001 0.000 0.243 2107 Q C 1.311 177.323 176.000 0.020 0.000 1.154 2107 Q CA 0.006 55.827 55.803 0.030 0.000 0.899 2107 Q CB 0.640 29.401 28.738 0.039 0.000 1.396 2107 Q HN 0.185 nan 8.270 nan 0.000 0.485 2108 T N 1.342 115.901 114.554 0.008 0.000 2.653 2108 T HA -0.188 4.163 4.350 0.001 0.000 0.268 2108 T C 0.915 175.626 174.700 0.019 0.000 1.035 2108 T CA 1.734 63.835 62.100 0.001 0.000 1.154 2108 T CB 0.071 68.927 68.868 -0.021 0.000 0.862 2108 T HN 0.472 nan 8.240 nan 0.000 0.441 2109 D N 0.618 121.033 120.400 0.025 0.000 2.178 2109 D HA -0.012 4.629 4.640 0.001 0.000 0.201 2109 D C 2.000 178.323 176.300 0.038 0.000 0.980 2109 D CA 0.465 54.487 54.000 0.038 0.000 0.842 2109 D CB -0.347 40.479 40.800 0.044 0.000 0.948 2109 D HN 0.207 nan 8.370 nan 0.000 0.472 2110 L N 0.427 121.667 121.223 0.029 0.000 2.109 2110 L HA -0.039 4.302 4.340 0.001 0.000 0.207 2110 L C 2.157 179.035 176.870 0.014 0.000 1.086 2110 L CA 1.143 55.992 54.840 0.016 0.000 0.760 2110 L CB -0.316 41.748 42.059 0.009 0.000 0.910 2110 L HN -0.028 nan 8.230 nan 0.000 0.437 2111 L N -1.456 119.779 121.223 0.021 0.000 2.056 2111 L HA -0.209 4.131 4.340 0.001 0.000 0.207 2111 L C 2.444 179.339 176.870 0.041 0.000 1.078 2111 L CA 1.136 55.991 54.840 0.025 0.000 0.749 2111 L CB -0.571 41.503 42.059 0.025 0.000 0.901 2111 L HN 0.263 nan 8.230 nan 0.000 0.433 2112 L N -0.322 120.933 121.223 0.054 0.000 2.056 2112 L HA -0.164 4.177 4.340 0.001 0.000 0.207 2112 L C 2.869 179.775 176.870 0.060 0.000 1.078 2112 L CA 1.105 55.991 54.840 0.077 0.000 0.749 2112 L CB -0.711 41.406 42.059 0.097 0.000 0.901 2112 L HN 0.233 nan 8.230 nan 0.000 0.433 2113 A N -0.051 122.797 122.820 0.048 0.000 1.972 2113 A HA -0.125 4.196 4.320 0.001 0.000 0.219 2113 A C 2.499 180.100 177.584 0.029 0.000 1.169 2113 A CA 1.621 53.683 52.037 0.040 0.000 0.635 2113 A CB -0.534 18.488 19.000 0.037 0.000 0.810 2113 A HN 0.409 nan 8.150 nan 0.000 0.446 2114 A N -0.121 122.713 122.820 0.023 0.000 1.872 2114 A HA 0.240 4.561 4.320 0.001 0.000 0.214 2114 A C 2.505 180.107 177.584 0.029 0.000 1.187 2114 A CA 1.823 53.871 52.037 0.019 0.000 0.614 2114 A CB -1.013 17.994 19.000 0.013 0.000 0.826 2114 A HN 0.997 nan 8.150 nan 0.000 0.442 2115 A N -0.161 122.680 122.820 0.036 0.000 1.902 2115 A HA -0.177 4.144 4.320 0.001 0.000 0.217 2115 A C 2.120 179.722 177.584 0.030 0.000 1.181 2115 A CA 1.962 54.021 52.037 0.037 0.000 0.623 2115 A CB -0.489 18.540 19.000 0.048 0.000 0.818 2115 A HN 0.526 nan 8.150 nan 0.000 0.443 2116 K N -0.095 120.324 120.400 0.032 0.000 2.211 2116 K HA -0.164 4.157 4.320 0.001 0.000 0.204 2116 K C 1.855 178.469 176.600 0.023 0.000 1.047 2116 K CA 1.825 58.127 56.287 0.026 0.000 0.935 2116 K CB -0.311 32.209 32.500 0.033 0.000 0.728 2116 K HN 0.667 nan 8.250 nan 0.000 0.452 2117 T N -3.321 111.248 114.554 0.025 0.000 3.072 2117 T HA 0.068 4.419 4.350 0.001 0.000 0.266 2117 T C 1.448 176.162 174.700 0.024 0.000 1.127 2117 T CA 0.924 63.039 62.100 0.025 0.000 1.107 2117 T CB -0.154 68.729 68.868 0.025 0.000 0.910 2117 T HN 0.422 nan 8.240 nan 0.000 0.513 2118 G N 1.468 110.282 108.800 0.023 0.000 2.245 2118 G HA2 -0.279 3.682 3.960 0.001 0.000 0.264 2118 G HA3 -0.279 3.682 3.960 0.001 0.000 0.264 2118 G C 0.482 175.400 174.900 0.030 0.000 0.985 2118 G CA 0.113 45.226 45.100 0.022 0.000 0.625 2118 G HN 0.622 nan 8.290 nan 0.000 0.536 2119 R N 0.803 121.324 120.500 0.036 0.000 2.738 2119 R HA 0.638 4.979 4.340 0.001 0.000 0.275 2119 R C 0.979 177.316 176.300 0.061 0.000 1.121 2119 R CA 0.337 56.466 56.100 0.048 0.000 1.207 2119 R CB -0.304 30.025 30.300 0.048 0.000 1.141 2119 R HN 0.746 nan 8.270 nan 0.000 0.571 2120 A N 0.566 123.439 122.820 0.087 0.000 2.351 2120 A HA 0.430 4.750 4.320 0.001 0.000 0.257 2120 A C -0.365 177.298 177.584 0.132 0.000 1.087 2120 A CA -0.430 51.685 52.037 0.131 0.000 0.798 2120 A CB 0.644 19.776 19.000 0.220 0.000 1.033 2120 A HN 0.311 nan 8.150 nan 0.000 0.488 2121 V N 2.518 122.521 119.914 0.148 0.000 2.531 2121 V HA 0.371 4.491 4.120 0.001 0.000 0.301 2121 V C -0.074 176.134 176.094 0.191 0.000 1.034 2121 V CA -0.736 61.638 62.300 0.124 0.000 0.865 2121 V CB 1.645 33.510 31.823 0.070 0.000 0.995 2121 V HN 0.969 nan 8.190 nan 0.000 0.424 2122 N N 3.497 122.281 118.700 0.140 0.000 2.479 2122 N HA 0.528 5.269 4.740 0.001 0.000 0.261 2122 N C -1.343 174.183 175.510 0.028 0.000 0.979 2122 N CA -0.392 52.738 53.050 0.132 0.000 0.930 2122 N CB 1.777 40.294 38.487 0.049 0.000 1.172 2122 N HN 0.451 nan 8.380 nan 0.000 0.499 2123 V N 3.857 123.783 119.914 0.020 0.000 2.407 2123 V HA 0.256 4.377 4.120 0.001 0.000 0.278 2123 V C 0.303 176.338 176.094 -0.098 0.000 1.037 2123 V CA -0.685 61.591 62.300 -0.039 0.000 0.900 2123 V CB 1.138 32.950 31.823 -0.020 0.000 0.983 2123 V HN 0.558 nan 8.190 nan 0.000 0.459 2124 K N 3.927 124.226 120.400 -0.167 0.000 2.339 2124 K HA 0.196 4.517 4.320 0.001 0.000 0.286 2124 K C 0.083 176.537 176.600 -0.243 0.000 1.050 2124 K CA -0.306 55.832 56.287 -0.249 0.000 0.956 2124 K CB 0.891 33.190 32.500 -0.335 0.000 0.990 2124 K HN 0.616 nan 8.250 nan 0.000 0.475 2125 K N 1.747 122.001 120.400 -0.243 0.000 2.412 2125 K HA 0.050 4.371 4.320 0.001 0.000 0.284 2125 K C 0.355 176.703 176.600 -0.420 0.000 1.046 2125 K CA -0.057 56.067 56.287 -0.272 0.000 0.999 2125 K CB 0.379 32.741 32.500 -0.229 0.000 0.941 2125 K HN 0.704 nan 8.250 nan 0.000 0.474 2126 G N 3.134 111.578 108.800 -0.594 0.000 2.559 2126 G HA2 -0.096 3.865 3.960 0.001 0.000 0.235 2126 G HA3 -0.096 3.865 3.960 0.001 0.000 0.235 2126 G C 0.178 174.517 174.900 -0.936 0.000 1.266 2126 G CA -0.417 44.040 45.100 -1.071 0.000 0.847 2126 G HN 0.814 nan 8.290 nan 0.000 0.583 2127 Q N 0.358 119.749 119.800 -0.682 0.000 2.364 2127 Q HA -0.043 4.298 4.340 0.001 0.000 0.207 2127 Q C 1.742 177.628 176.000 -0.189 0.000 0.970 2127 Q CA 1.429 57.051 55.803 -0.301 0.000 0.888 2127 Q CB -0.165 28.532 28.738 -0.068 0.000 0.951 2127 Q HN 0.803 nan 8.270 nan 0.000 0.469 2128 F N -2.534 117.410 119.950 -0.009 0.000 2.749 2128 F HA 0.318 4.846 4.527 0.001 0.000 0.300 2128 F C 0.317 176.087 175.800 -0.050 0.000 1.103 2128 F CA -0.859 57.136 58.000 -0.009 0.000 1.342 2128 F CB -0.060 38.955 39.000 0.024 0.000 1.098 2128 F HN -0.108 nan 8.300 nan 0.000 0.586 2129 L N 2.110 123.159 121.223 -0.290 0.000 2.292 2129 L HA 0.718 5.058 4.340 0.001 0.000 0.284 2129 L C 0.250 176.960 176.870 -0.267 0.000 1.065 2129 L CA -1.099 53.633 54.840 -0.180 0.000 0.806 2129 L CB 0.742 42.623 42.059 -0.296 0.000 1.175 2129 L HN 0.210 nan 8.230 nan 0.000 0.431 2130 A N 6.536 129.159 122.820 -0.328 0.000 2.371 2130 A HA 0.483 4.804 4.320 0.001 0.000 0.257 2130 A C -1.753 175.394 177.584 -0.727 0.000 1.089 2130 A CA -0.990 50.620 52.037 -0.713 0.000 0.794 2130 A CB -0.186 18.198 19.000 -1.027 0.000 1.029 2130 A HN 0.774 nan 8.150 nan 0.000 0.488 2131 P HA -0.192 nan 4.420 nan 0.000 0.215 2131 P C 1.029 178.329 177.300 -0.001 0.000 1.157 2131 P CA 2.161 65.075 63.100 -0.310 0.000 0.874 2131 P CB -0.162 31.411 31.700 -0.211 0.000 0.790 2132 W N -0.457 120.975 121.300 0.219 0.000 2.525 2132 W HA 0.015 4.676 4.660 0.002 0.000 0.259 2132 W C 0.764 177.364 176.519 0.135 0.000 1.253 2132 W CA 0.627 58.169 57.345 0.328 0.000 1.262 2132 W CB -1.757 27.838 29.460 0.225 0.000 1.122 2132 W HN -0.110 nan 8.180 nan 0.000 0.607 2133 D N 0.799 121.210 120.400 0.019 0.000 2.328 2133 D HA -0.058 4.583 4.640 0.001 0.000 0.226 2133 D C 1.873 178.130 176.300 -0.071 0.000 1.066 2133 D CA 1.520 55.516 54.000 -0.006 0.000 0.861 2133 D CB -0.165 40.617 40.800 -0.029 0.000 0.912 2133 D HN 0.369 nan 8.370 nan 0.000 0.521 2134 T N -2.339 112.201 114.554 -0.023 0.000 3.088 2134 T HA -0.012 4.339 4.350 0.001 0.000 0.259 2134 T C 1.744 176.277 174.700 -0.278 0.000 1.122 2134 T CA 0.228 62.314 62.100 -0.023 0.000 1.095 2134 T CB 0.334 69.306 68.868 0.173 0.000 0.930 2134 T HN 0.016 nan 8.240 nan 0.000 0.508 2135 K N 1.767 121.733 120.400 -0.723 0.000 2.032 2135 K HA -0.139 4.182 4.320 0.001 0.000 0.209 2135 K C 2.108 178.363 176.600 -0.575 0.000 1.048 2135 K CA 1.843 57.336 56.287 -1.324 0.000 0.927 2135 K CB -0.355 31.204 32.500 -1.568 0.000 0.712 2135 K HN 0.497 nan 8.250 nan 0.000 0.441 2136 N N -0.378 118.116 118.700 -0.343 0.000 2.309 2136 N HA -0.121 4.620 4.740 0.001 0.000 0.182 2136 N C 1.616 177.044 175.510 -0.136 0.000 1.018 2136 N CA 0.793 53.726 53.050 -0.196 0.000 0.876 2136 N CB 0.171 38.580 38.487 -0.131 0.000 0.972 2136 N HN -0.020 nan 8.380 nan 0.000 0.434 2137 V N 0.675 120.516 119.914 -0.122 0.000 2.295 2137 V HA -0.186 3.935 4.120 0.001 0.000 0.246 2137 V C 2.243 178.308 176.094 -0.048 0.000 1.049 2137 V CA 1.301 63.565 62.300 -0.061 0.000 1.024 2137 V CB -0.404 31.396 31.823 -0.038 0.000 0.648 2137 V HN 0.129 nan 8.190 nan 0.000 0.447 2138 V N 0.091 119.962 119.914 -0.071 0.000 2.332 2138 V HA -0.313 3.808 4.120 0.001 0.000 0.248 2138 V C 2.476 178.559 176.094 -0.018 0.000 1.055 2138 V CA 2.403 64.689 62.300 -0.024 0.000 1.038 2138 V CB -0.597 31.224 31.823 -0.003 0.000 0.651 2138 V HN 0.710 nan 8.190 nan 0.000 0.450 2139 E N 0.204 120.369 120.200 -0.059 0.000 2.110 2139 E HA -0.256 4.094 4.350 0.001 0.000 0.193 2139 E C 2.259 178.883 176.600 0.039 0.000 0.988 2139 E CA 1.324 57.715 56.400 -0.016 0.000 0.804 2139 E CB -0.052 29.614 29.700 -0.057 0.000 0.745 2139 E HN 0.582 nan 8.360 nan 0.000 0.458 2140 K N 0.211 120.613 120.400 0.004 0.000 2.063 2140 K HA -0.135 4.186 4.320 0.001 0.000 0.208 2140 K C 2.282 178.948 176.600 0.110 0.000 1.048 2140 K CA 1.309 57.614 56.287 0.029 0.000 0.928 2140 K CB -0.119 32.373 32.500 -0.013 0.000 0.713 2140 K HN 0.221 nan 8.250 nan 0.000 0.442 2141 L N 0.923 122.188 121.223 0.070 0.000 2.093 2141 L HA -0.180 4.160 4.340 0.001 0.000 0.208 2141 L C 2.322 179.241 176.870 0.082 0.000 1.085 2141 L CA 1.276 56.159 54.840 0.071 0.000 0.755 2141 L CB -0.271 41.813 42.059 0.043 0.000 0.904 2141 L HN 0.127 nan 8.230 nan 0.000 0.435 2142 K N -0.487 119.962 120.400 0.082 0.000 2.057 2142 K HA -0.193 4.127 4.320 0.001 0.000 0.206 2142 K C 2.086 178.741 176.600 0.092 0.000 1.050 2142 K CA 1.468 57.797 56.287 0.069 0.000 0.935 2142 K CB -0.247 32.291 32.500 0.062 0.000 0.715 2142 K HN 0.086 nan 8.250 nan 0.000 0.439 2143 F N 1.212 121.158 119.950 -0.007 0.000 2.126 2143 F HA -0.136 4.392 4.527 0.001 0.000 0.299 2143 F C 1.857 177.656 175.800 -0.000 0.000 1.096 2143 F CA 1.760 59.757 58.000 -0.005 0.000 1.255 2143 F CB -0.388 38.608 39.000 -0.008 0.000 0.997 2143 F HN -0.003 nan 8.300 nan 0.000 0.479 2144 G N -1.175 107.743 108.800 0.195 0.000 2.848 2144 G HA2 0.258 4.219 3.960 0.001 0.000 0.208 2144 G HA3 0.258 4.219 3.960 0.001 0.000 0.208 2144 G C 1.304 176.206 174.900 0.003 0.000 1.152 2144 G CA 0.391 45.549 45.100 0.096 0.000 0.789 2144 G HN 1.013 nan 8.290 nan 0.000 0.531 2145 G N -1.536 107.250 108.800 -0.023 0.000 2.176 2145 G HA2 0.119 4.080 3.960 0.001 0.000 0.232 2145 G HA3 0.119 4.080 3.960 0.001 0.000 0.232 2145 G C 0.526 175.424 174.900 -0.002 0.000 0.986 2145 G CA 0.174 45.258 45.100 -0.028 0.000 0.643 2145 G HN 1.318 nan 8.290 nan 0.000 0.522 2146 A N -0.162 122.667 122.820 0.015 0.000 2.425 2146 A HA 0.695 5.016 4.320 0.001 0.000 0.249 2146 A C 1.235 178.824 177.584 0.007 0.000 1.084 2146 A CA 0.969 53.017 52.037 0.018 0.000 0.781 2146 A CB 0.469 19.486 19.000 0.028 0.000 1.019 2146 A HN 0.233 nan 8.150 nan 0.000 0.490 2147 K N 0.618 121.018 120.400 0.001 0.000 2.443 2147 K HA 0.126 4.447 4.320 0.001 0.000 0.200 2147 K C 0.059 176.637 176.600 -0.037 0.000 1.278 2147 K CA 0.306 56.587 56.287 -0.011 0.000 0.925 2147 K CB 0.602 33.099 32.500 -0.004 0.000 1.225 2147 K HN 0.820 nan 8.250 nan 0.000 0.514 2148 E N 1.804 121.982 120.200 -0.037 0.000 2.055 2148 E HA 0.326 4.677 4.350 0.001 0.000 0.274 2148 E C -1.159 175.351 176.600 -0.149 0.000 0.949 2148 E CA -0.196 56.140 56.400 -0.106 0.000 0.775 2148 E CB 0.487 30.182 29.700 -0.007 0.000 1.097 2148 E HN 0.070 nan 8.360 nan 0.000 0.404 2149 I N 4.542 124.943 120.570 -0.281 0.000 2.436 2149 I HA 0.322 4.493 4.170 0.001 0.000 0.289 2149 I C -1.093 174.808 176.117 -0.360 0.000 1.010 2149 I CA -0.839 60.344 61.300 -0.196 0.000 1.098 2149 I CB 1.128 39.091 38.000 -0.062 0.000 1.266 2149 I HN 0.462 nan 8.210 nan 0.000 0.434 2150 Y N 5.767 126.077 120.300 0.017 0.000 2.485 2150 Y HA 0.663 5.214 4.550 0.001 0.000 0.345 2150 Y C -0.446 175.452 175.900 -0.003 0.000 0.998 2150 Y CA -0.844 57.258 58.100 0.004 0.000 1.059 2150 Y CB 1.803 40.256 38.460 -0.011 0.000 1.234 2150 Y HN 0.282 nan 8.280 nan 0.000 0.461 2151 L N 2.542 123.856 121.223 0.151 0.000 2.333 2151 L HA 0.591 4.931 4.340 0.001 0.000 0.280 2151 L C -0.618 176.266 176.870 0.023 0.000 1.004 2151 L CA -0.518 54.363 54.840 0.068 0.000 0.820 2151 L CB 2.065 44.172 42.059 0.080 0.000 1.247 2151 L HN 0.649 nan 8.230 nan 0.000 0.416 2152 T N 1.281 115.800 114.554 -0.058 0.000 2.779 2152 T HA 0.232 4.583 4.350 0.001 0.000 0.280 2152 T C -0.399 174.201 174.700 -0.168 0.000 0.987 2152 T CA -0.452 61.573 62.100 -0.125 0.000 0.966 2152 T CB 1.584 70.308 68.868 -0.239 0.000 0.933 2152 T HN 0.409 nan 8.240 nan 0.000 0.442 2153 E N 2.594 122.719 120.200 -0.126 0.000 2.223 2153 E HA 0.274 4.625 4.350 0.001 0.000 0.282 2153 E C 0.515 176.971 176.600 -0.240 0.000 1.046 2153 E CA -0.492 55.827 56.400 -0.135 0.000 0.857 2153 E CB 0.458 30.154 29.700 -0.006 0.000 1.055 2153 E HN 0.611 nan 8.360 nan 0.000 0.409 2154 R N 3.046 123.389 120.500 -0.261 0.000 2.592 2154 R HA 0.491 4.832 4.340 0.001 0.000 0.439 2154 R C 0.177 176.348 176.300 -0.215 0.000 0.995 2154 R CA -0.137 55.794 56.100 -0.281 0.000 1.141 2154 R CB 0.088 30.194 30.300 -0.324 0.000 1.495 2154 R HN 0.641 nan 8.270 nan 0.000 0.579 2155 G N -0.136 108.545 108.800 -0.199 0.000 2.619 2155 G HA2 -0.001 3.960 3.960 0.001 0.000 0.686 2155 G HA3 -0.001 3.960 3.960 0.001 0.000 0.686 2155 G C -0.956 173.843 174.900 -0.168 0.000 1.256 2155 G CA -0.468 44.532 45.100 -0.167 0.000 0.826 2155 G HN 0.176 nan 8.290 nan 0.000 0.619 2156 T N 0.932 115.411 114.554 -0.124 0.000 2.886 2156 T HA 0.632 4.982 4.350 0.001 0.000 0.292 2156 T C 0.412 175.117 174.700 0.009 0.000 1.012 2156 T CA -0.013 62.034 62.100 -0.089 0.000 0.982 2156 T CB 1.670 70.477 68.868 -0.101 0.000 1.018 2156 T HN 0.889 nan 8.240 nan 0.000 0.451 2157 T N 3.183 117.761 114.554 0.040 0.000 2.822 2157 T HA 0.117 4.468 4.350 0.001 0.000 0.288 2157 T C -0.676 174.119 174.700 0.158 0.000 0.991 2157 T CA 0.612 62.771 62.100 0.099 0.000 1.176 2157 T CB -0.453 68.479 68.868 0.106 0.000 0.951 2157 T HN 0.423 nan 8.240 nan 0.000 0.526 2158 F N 4.052 123.985 119.950 -0.029 0.000 2.691 2158 F HA 0.520 5.048 4.527 0.001 0.000 0.371 2158 F C 0.685 176.447 175.800 -0.063 0.000 1.159 2158 F CA 0.140 58.111 58.000 -0.048 0.000 1.174 2158 F CB -0.101 38.872 39.000 -0.045 0.000 1.419 2158 F HN 0.925 nan 8.300 nan 0.000 0.514 2159 G N 2.754 111.313 108.800 -0.401 0.000 2.598 2159 G HA2 -0.286 3.674 3.960 0.001 0.000 0.244 2159 G HA3 -0.286 3.674 3.960 0.001 0.000 0.244 2159 G C -1.350 173.383 174.900 -0.278 0.000 1.302 2159 G CA -0.370 44.436 45.100 -0.490 0.000 0.903 2159 G HN 0.487 nan 8.290 nan 0.000 0.575 2160 Y N 1.753 122.016 120.300 -0.062 0.000 2.308 2160 Y HA 0.481 5.031 4.550 0.001 0.000 0.329 2160 Y C 1.427 177.335 175.900 0.014 0.000 1.111 2160 Y CA -0.461 57.631 58.100 -0.013 0.000 1.179 2160 Y CB 0.988 39.439 38.460 -0.016 0.000 1.201 2160 Y HN 0.651 nan 8.280 nan 0.000 0.483 2161 N N 1.973 120.801 118.700 0.213 0.000 2.740 2161 N HA -0.315 4.426 4.740 0.001 0.000 0.248 2161 N C -0.844 174.743 175.510 0.127 0.000 1.062 2161 N CA 0.939 54.074 53.050 0.142 0.000 0.704 2161 N CB -1.146 37.411 38.487 0.116 0.000 0.968 2161 N HN 0.893 nan 8.380 nan 0.000 0.547 2162 N N -0.267 118.513 118.700 0.134 0.000 2.446 2162 N HA 0.521 5.262 4.740 0.001 0.000 0.272 2162 N C -1.545 174.055 175.510 0.150 0.000 1.127 2162 N CA -0.521 52.615 53.050 0.143 0.000 0.896 2162 N CB 1.563 40.161 38.487 0.185 0.000 1.658 2162 N HN -0.002 nan 8.380 nan 0.000 0.483 2163 L N 2.284 123.570 121.223 0.104 0.000 2.381 2163 L HA 0.675 5.016 4.340 0.001 0.000 0.268 2163 L C -0.687 176.173 176.870 -0.018 0.000 0.997 2163 L CA -0.971 53.901 54.840 0.054 0.000 0.818 2163 L CB 2.038 44.102 42.059 0.008 0.000 1.310 2163 L HN 0.271 nan 8.230 nan 0.000 0.416 2164 V N 3.351 123.213 119.914 -0.087 0.000 2.864 2164 V HA 0.571 4.691 4.120 0.001 0.000 0.314 2164 V C -0.732 175.231 176.094 -0.218 0.000 1.073 2164 V CA -0.497 61.662 62.300 -0.235 0.000 0.956 2164 V CB 2.590 34.103 31.823 -0.516 0.000 1.023 2164 V HN 0.413 nan 8.190 nan 0.000 0.435 2165 V N 4.938 124.700 119.914 -0.254 0.000 2.328 2165 V HA 0.377 4.497 4.120 0.001 0.000 0.278 2165 V C -0.351 175.487 176.094 -0.426 0.000 1.021 2165 V CA -0.491 61.578 62.300 -0.385 0.000 0.838 2165 V CB 1.375 32.861 31.823 -0.562 0.000 0.999 2165 V HN 0.909 nan 8.190 nan 0.000 0.447 2166 D N 4.062 124.257 120.400 -0.342 0.000 2.441 2166 D HA 0.242 4.883 4.640 0.001 0.000 0.221 2166 D C 0.683 176.848 176.300 -0.224 0.000 1.156 2166 D CA -0.346 53.531 54.000 -0.205 0.000 0.896 2166 D CB 0.626 41.344 40.800 -0.136 0.000 1.028 2166 D HN 0.404 nan 8.370 nan 0.000 0.509 2167 F N 2.042 121.952 119.950 -0.067 0.000 2.641 2167 F HA 0.003 4.531 4.527 0.001 0.000 0.298 2167 F C 2.265 178.033 175.800 -0.053 0.000 1.146 2167 F CA 0.372 58.328 58.000 -0.072 0.000 1.464 2167 F CB 0.055 38.995 39.000 -0.099 0.000 1.101 2167 F HN 0.274 nan 8.300 nan 0.000 0.585 2168 R N -0.178 120.380 120.500 0.095 0.000 2.152 2168 R HA -0.150 4.190 4.340 0.001 0.000 0.232 2168 R C 2.513 178.840 176.300 0.044 0.000 1.117 2168 R CA 1.385 57.529 56.100 0.073 0.000 0.981 2168 R CB -0.585 29.765 30.300 0.084 0.000 0.870 2168 R HN 0.355 nan 8.270 nan 0.000 0.451 2169 S N 0.754 116.452 115.700 -0.003 0.000 2.399 2169 S HA -0.123 4.348 4.470 0.001 0.000 0.231 2169 S C 1.897 176.478 174.600 -0.031 0.000 1.022 2169 S CA 0.796 58.976 58.200 -0.034 0.000 0.983 2169 S CB -0.164 62.975 63.200 -0.102 0.000 0.803 2169 S HN 0.078 nan 8.310 nan 0.000 0.480 2170 L N 2.701 123.918 121.223 -0.009 0.000 1.989 2170 L HA 0.025 4.366 4.340 0.001 0.000 0.211 2170 L C -0.422 176.410 176.870 -0.063 0.000 1.071 2170 L CA 1.958 56.789 54.840 -0.015 0.000 0.749 2170 L CB -1.566 40.512 42.059 0.031 0.000 0.890 2170 L HN 0.321 nan 8.230 nan 0.000 0.431 2171 P HA -0.087 nan 4.420 nan 0.000 0.225 2171 P C 2.000 179.217 177.300 -0.139 0.000 1.156 2171 P CA 1.326 64.374 63.100 -0.087 0.000 0.787 2171 P CB 0.187 31.859 31.700 -0.046 0.000 0.802 2172 I N -0.600 119.908 120.570 -0.103 0.000 2.233 2172 I HA -0.167 4.004 4.170 0.001 0.000 0.243 2172 I C 2.740 178.612 176.117 -0.409 0.000 1.093 2172 I CA 1.425 62.637 61.300 -0.146 0.000 1.380 2172 I CB -0.620 37.423 38.000 0.071 0.000 1.067 2172 I HN -0.183 nan 8.210 nan 0.000 0.413 2173 M N 0.244 119.687 119.600 -0.261 0.000 2.229 2173 M HA -0.175 4.305 4.480 0.001 0.000 0.264 2173 M C 2.171 178.144 176.300 -0.545 0.000 1.063 2173 M CA 1.280 56.390 55.300 -0.316 0.000 1.114 2173 M CB -0.394 32.184 32.600 -0.037 0.000 1.387 2173 M HN -0.000 nan 8.290 nan 0.000 0.420 2174 K N 1.164 121.341 120.400 -0.371 0.000 2.360 2174 K HA -0.153 4.168 4.320 0.001 0.000 0.201 2174 K C 1.620 177.998 176.600 -0.369 0.000 1.046 2174 K CA 1.412 57.529 56.287 -0.283 0.000 0.940 2174 K CB -0.161 32.230 32.500 -0.182 0.000 0.748 2174 K HN 0.446 nan 8.250 nan 0.000 0.465 2175 Q N -1.238 118.166 119.800 -0.659 0.000 2.291 2175 Q HA -0.112 4.229 4.340 0.001 0.000 0.205 2175 Q C 0.515 176.325 176.000 -0.316 0.000 0.970 2175 Q CA 1.514 56.985 55.803 -0.553 0.000 0.876 2175 Q CB -0.045 28.227 28.738 -0.777 0.000 0.935 2175 Q HN 0.649 nan 8.270 nan 0.000 0.455 2176 W N -2.095 119.211 121.300 0.010 0.000 2.304 2176 W HA 0.723 5.384 4.660 0.001 0.000 0.326 2176 W C -0.167 176.340 176.519 -0.020 0.000 0.920 2176 W CA -0.316 57.029 57.345 0.000 0.000 1.518 2176 W CB 0.254 29.720 29.460 0.011 0.000 1.112 2176 W HN -0.089 nan 8.180 nan 0.000 0.528 2177 A N 0.655 123.511 122.820 0.061 0.000 2.566 2177 A HA 0.581 4.902 4.320 0.001 0.000 0.290 2177 A C -1.090 176.471 177.584 -0.039 0.000 1.071 2177 A CA -1.270 50.786 52.037 0.032 0.000 0.658 2177 A CB 0.871 19.939 19.000 0.112 0.000 1.285 2177 A HN 0.034 nan 8.150 nan 0.000 0.427 2178 K N 0.414 120.766 120.400 -0.080 0.000 2.270 2178 K HA 0.518 4.838 4.320 0.001 0.000 0.276 2178 K C -0.798 175.843 176.600 0.069 0.000 1.023 2178 K CA -0.284 55.988 56.287 -0.025 0.000 0.955 2178 K CB 1.269 33.729 32.500 -0.067 0.000 0.975 2178 K HN 0.376 nan 8.250 nan 0.000 0.471 2179 V N 4.655 124.607 119.914 0.064 0.000 2.459 2179 V HA 0.339 4.460 4.120 0.001 0.000 0.295 2179 V C -0.147 175.994 176.094 0.079 0.000 1.029 2179 V CA -0.903 61.435 62.300 0.064 0.000 0.874 2179 V CB 1.279 33.110 31.823 0.014 0.000 0.985 2179 V HN 0.580 nan 8.190 nan 0.000 0.438 2180 I N 4.157 124.769 120.570 0.069 0.000 2.493 2180 I HA 0.395 4.566 4.170 0.001 0.000 0.298 2180 I C -0.771 175.390 176.117 0.073 0.000 0.998 2180 I CA -0.876 60.446 61.300 0.037 0.000 1.137 2180 I CB 1.737 39.723 38.000 -0.024 0.000 1.310 2180 I HN 0.690 nan 8.210 nan 0.000 0.445 2181 Y N 4.652 124.954 120.300 0.004 0.000 2.331 2181 Y HA 0.333 4.883 4.550 0.001 0.000 0.338 2181 Y C -0.088 175.836 175.900 0.039 0.000 0.976 2181 Y CA -0.787 57.324 58.100 0.019 0.000 1.137 2181 Y CB 0.869 39.386 38.460 0.095 0.000 1.172 2181 Y HN 0.508 nan 8.280 nan 0.000 0.478 2182 D N 5.156 125.103 120.400 -0.755 0.000 2.393 2182 D HA 0.242 4.882 4.640 0.001 0.000 0.232 2182 D C 0.532 176.303 176.300 -0.882 0.000 1.192 2182 D CA 0.324 53.967 54.000 -0.595 0.000 0.882 2182 D CB 1.350 41.812 40.800 -0.563 0.000 1.038 2182 D HN 0.808 nan 8.370 nan 0.000 0.499 2183 A N 2.910 125.436 122.820 -0.490 0.000 2.067 2183 A HA -0.075 4.246 4.320 0.001 0.000 0.217 2183 A C 1.859 179.403 177.584 -0.068 0.000 1.156 2183 A CA 1.561 53.485 52.037 -0.188 0.000 0.683 2183 A CB -0.165 18.927 19.000 0.153 0.000 0.808 2183 A HN 0.615 nan 8.150 nan 0.000 0.455 2184 T N -4.080 110.399 114.554 -0.125 0.000 3.033 2184 T HA 0.054 4.405 4.350 0.001 0.000 0.248 2184 T C 1.518 176.073 174.700 -0.241 0.000 1.040 2184 T CA 1.106 63.102 62.100 -0.173 0.000 1.133 2184 T CB -0.500 68.231 68.868 -0.229 0.000 0.895 2184 T HN 0.589 nan 8.240 nan 0.000 0.465 2185 H N 0.936 119.963 119.070 -0.070 0.000 2.551 2185 H HA 0.379 4.936 4.556 0.001 0.000 0.266 2185 H C 2.172 177.432 175.328 -0.113 0.000 0.964 2185 H CA 0.562 56.552 56.048 -0.097 0.000 1.180 2185 H CB 0.183 29.843 29.762 -0.170 0.000 1.408 2185 H HN 0.267 nan 8.280 nan 0.000 0.563 2186 S N 0.205 115.870 115.700 -0.058 0.000 2.481 2186 S HA -0.073 4.397 4.470 0.001 0.000 0.231 2186 S C 1.907 176.513 174.600 0.010 0.000 0.996 2186 S CA 1.042 59.207 58.200 -0.059 0.000 0.942 2186 S CB 0.106 63.247 63.200 -0.099 0.000 0.768 2186 S HN 0.463 nan 8.310 nan 0.000 0.520 2187 V N -0.274 119.671 119.914 0.051 0.000 3.605 2187 V HA 0.249 4.370 4.120 0.001 0.000 0.284 2187 V C 0.375 176.529 176.094 0.100 0.000 1.386 2187 V CA -0.529 61.827 62.300 0.094 0.000 1.053 2187 V CB -0.634 31.301 31.823 0.186 0.000 0.857 2187 V HN 0.456 nan 8.190 nan 0.000 0.436 2188 Q N 1.604 121.451 119.800 0.078 0.000 2.327 2188 Q HA 0.565 4.906 4.340 0.001 0.000 0.254 2188 Q C -0.646 175.405 176.000 0.085 0.000 0.952 2188 Q CA -0.478 55.378 55.803 0.087 0.000 0.884 2188 Q CB 1.411 30.203 28.738 0.091 0.000 1.224 2188 Q HN 0.517 nan 8.270 nan 0.000 0.422 2189 L N 3.601 124.878 121.223 0.092 0.000 2.281 2189 L HA 0.398 4.739 4.340 0.001 0.000 0.285 2189 L C -2.038 174.887 176.870 0.091 0.000 1.074 2189 L CA -2.157 52.738 54.840 0.092 0.000 0.817 2189 L CB 0.455 42.571 42.059 0.094 0.000 1.168 2189 L HN 0.510 nan 8.230 nan 0.000 0.434 2190 P HA 0.536 nan 4.420 nan 0.000 0.274 2190 P C 0.041 177.398 177.300 0.094 0.000 1.246 2190 P CA -0.173 62.991 63.100 0.106 0.000 0.795 2190 P CB 1.127 32.905 31.700 0.130 0.000 1.006 2200 M N -0.673 119.133 119.600 0.342 0.000 7.319 2200 M HA -0.442 4.039 4.480 0.001 0.000 0.284 2200 M C 2.069 178.463 176.300 0.157 0.000 0.480 2200 M CA 3.008 58.451 55.300 0.238 0.000 1.311 2200 M CB -0.877 31.801 32.600 0.129 0.000 0.421 2200 M HN 0.292 nan 8.290 nan 0.000 0.450 2201 R N 0.830 121.358 120.500 0.048 0.000 2.113 2201 R HA -0.220 4.121 4.340 0.001 0.000 0.244 2201 R C 1.913 178.189 176.300 -0.040 0.000 1.142 2201 R CA 2.511 58.617 56.100 0.012 0.000 0.953 2201 R CB -0.450 29.844 30.300 -0.010 0.000 0.860 2201 R HN 0.754 nan 8.270 nan 0.000 0.438 2202 E N -0.709 119.369 120.200 -0.204 0.000 2.331 2202 E HA -0.206 4.144 4.350 0.001 0.000 0.199 2202 E C 0.912 177.308 176.600 -0.341 0.000 1.008 2202 E CA 1.102 57.295 56.400 -0.344 0.000 0.843 2202 E CB -0.200 29.151 29.700 -0.583 0.000 0.761 2202 E HN 0.437 nan 8.360 nan 0.000 0.507 2203 F N 0.459 120.458 119.950 0.082 0.000 2.721 2203 F HA 0.323 4.851 4.527 0.001 0.000 0.301 2203 F C 1.828 177.710 175.800 0.136 0.000 1.096 2203 F CA -0.467 57.590 58.000 0.094 0.000 1.308 2203 F CB -0.017 39.032 39.000 0.081 0.000 1.086 2203 F HN -0.069 nan 8.300 nan 0.000 0.587 2204 I N -0.433 120.303 120.570 0.277 0.000 2.127 2204 I HA -0.357 3.814 4.170 0.001 0.000 0.241 2204 I C 2.512 178.835 176.117 0.343 0.000 1.075 2204 I CA 1.871 63.330 61.300 0.266 0.000 1.334 2204 I CB -0.490 37.610 38.000 0.165 0.000 1.040 2204 I HN 0.151 nan 8.210 nan 0.000 0.405 2205 F N 1.899 121.916 119.950 0.112 0.000 2.113 2205 F HA -0.118 4.410 4.527 0.001 0.000 0.297 2205 F C -0.405 175.447 175.800 0.086 0.000 1.103 2205 F CA 0.930 58.982 58.000 0.087 0.000 1.248 2205 F CB -0.955 38.073 39.000 0.048 0.000 0.999 2205 F HN 0.006 nan 8.300 nan 0.000 0.475 2206 P HA -0.215 nan 4.420 nan 0.000 0.215 2206 P C 1.749 179.063 177.300 0.023 0.000 1.157 2206 P CA 1.658 64.746 63.100 -0.020 0.000 0.874 2206 P CB -0.108 31.642 31.700 0.083 0.000 0.790 2207 L N -1.727 119.594 121.223 0.162 0.000 2.217 2207 L HA -0.091 4.250 4.340 0.001 0.000 0.211 2207 L C 2.391 179.310 176.870 0.080 0.000 1.107 2207 L CA 1.027 55.975 54.840 0.179 0.000 0.783 2207 L CB -0.689 41.600 42.059 0.383 0.000 0.919 2207 L HN -0.015 nan 8.230 nan 0.000 0.442 2208 I N -0.184 120.523 120.570 0.228 0.000 2.252 2208 I HA -0.262 3.909 4.170 0.001 0.000 0.245 2208 I C 2.750 178.910 176.117 0.072 0.000 1.102 2208 I CA 1.174 62.624 61.300 0.249 0.000 1.385 2208 I CB -0.199 38.046 38.000 0.409 0.000 1.064 2208 I HN 0.249 nan 8.210 nan 0.000 0.414 2209 R N 0.623 121.136 120.500 0.021 0.000 2.096 2209 R HA -0.134 4.207 4.340 0.001 0.000 0.235 2209 R C 2.391 178.583 176.300 -0.180 0.000 1.127 2209 R CA 1.439 57.487 56.100 -0.087 0.000 0.968 2209 R CB -0.405 29.765 30.300 -0.216 0.000 0.861 2209 R HN 0.352 nan 8.270 nan 0.000 0.440 2210 A N 1.340 123.979 122.820 -0.302 0.000 1.898 2210 A HA -0.068 4.253 4.320 0.001 0.000 0.216 2210 A C 2.395 179.619 177.584 -0.601 0.000 1.181 2210 A CA 1.519 53.220 52.037 -0.561 0.000 0.620 2210 A CB -0.550 17.883 19.000 -0.945 0.000 0.819 2210 A HN 0.373 nan 8.150 nan 0.000 0.442 2211 A N 0.036 122.570 122.820 -0.477 0.000 1.908 2211 A HA -0.059 4.262 4.320 0.001 0.000 0.218 2211 A C 2.319 179.837 177.584 -0.111 0.000 1.181 2211 A CA 2.427 54.308 52.037 -0.260 0.000 0.627 2211 A CB -1.246 17.485 19.000 -0.449 0.000 0.818 2211 A HN 1.148 nan 8.150 nan 0.000 0.445 2212 V N -2.772 117.110 119.914 -0.054 0.000 2.548 2212 V HA 0.095 4.215 4.120 0.001 0.000 0.249 2212 V C 2.486 178.617 176.094 0.062 0.000 1.055 2212 V CA 1.536 63.850 62.300 0.024 0.000 1.065 2212 V CB -1.317 30.514 31.823 0.013 0.000 0.681 2212 V HN 0.492 nan 8.190 nan 0.000 0.462 2213 A N 0.471 123.279 122.820 -0.021 0.000 1.930 2213 A HA -0.033 4.288 4.320 0.001 0.000 0.217 2213 A C 2.348 179.978 177.584 0.077 0.000 1.175 2213 A CA 2.050 54.104 52.037 0.027 0.000 0.627 2213 A CB -0.715 18.233 19.000 -0.087 0.000 0.815 2213 A HN 0.428 nan 8.150 nan 0.000 0.443 2214 V N -0.956 118.914 119.914 -0.073 0.000 2.323 2214 V HA 0.277 4.397 4.120 0.001 0.000 0.244 2214 V C 1.320 177.294 176.094 -0.199 0.000 1.041 2214 V CA 1.407 63.657 62.300 -0.084 0.000 1.025 2214 V CB -1.087 30.669 31.823 -0.112 0.000 0.656 2214 V HN 1.245 nan 8.190 nan 0.000 0.451 2215 G N -0.289 108.306 108.800 -0.340 0.000 3.313 2215 G HA2 0.119 4.080 3.960 0.001 0.000 0.659 2215 G HA3 0.119 4.080 3.960 0.001 0.000 0.659 2215 G C -0.787 173.895 174.900 -0.364 0.000 1.286 2215 G CA -0.643 43.955 45.100 -0.838 0.000 1.077 2215 G HN 1.025 nan 8.290 nan 0.000 0.551 2216 C N 0.430 119.628 119.300 -0.171 0.000 3.241 2216 C HA 0.852 5.313 4.460 0.001 0.000 0.312 2216 C C 0.532 175.615 174.990 0.154 0.000 1.350 2216 C CA -0.616 58.414 59.018 0.019 0.000 1.415 2216 C CB 1.957 29.767 27.740 0.117 0.000 1.770 2216 C HN 0.644 nan 8.230 nan 0.000 0.466 2217 D N 0.458 120.917 120.400 0.098 0.000 2.339 2217 D HA 0.384 5.024 4.640 0.001 0.000 0.217 2217 D C 0.798 176.955 176.300 -0.238 0.000 1.050 2217 D CA 1.325 55.373 54.000 0.081 0.000 0.856 2217 D CB 0.838 41.687 40.800 0.081 0.000 0.922 2217 D HN 1.102 nan 8.370 nan 0.000 0.518 2218 G N -0.459 108.125 108.800 -0.361 0.000 2.368 2218 G HA2 0.385 4.345 3.960 0.001 0.000 0.293 2218 G HA3 0.385 4.345 3.960 0.001 0.000 0.293 2218 G C -1.829 172.868 174.900 -0.339 0.000 1.467 2218 G CA -0.551 44.019 45.100 -0.884 0.000 0.804 2218 G HN -0.051 nan 8.290 nan 0.000 0.535 2219 V N 0.297 120.024 119.914 -0.312 0.000 2.735 2219 V HA 0.737 4.858 4.120 0.001 0.000 0.310 2219 V C -1.254 174.840 176.094 0.000 0.000 1.061 2219 V CA -0.721 61.596 62.300 0.029 0.000 0.913 2219 V CB 1.913 33.857 31.823 0.201 0.000 1.005 2219 V HN 0.812 nan 8.190 nan 0.000 0.428 2220 F N 5.337 125.211 119.950 -0.126 0.000 2.467 2220 F HA 0.833 5.360 4.527 0.001 0.000 0.336 2220 F C -0.444 175.270 175.800 -0.143 0.000 1.123 2220 F CA -0.719 57.188 58.000 -0.155 0.000 0.964 2220 F CB 1.463 40.362 39.000 -0.168 0.000 1.136 2220 F HN 0.391 nan 8.300 nan 0.000 0.447 2221 M N 5.517 124.939 119.600 -0.297 0.000 2.324 2221 M HA 0.289 4.769 4.480 0.001 0.000 0.288 2221 M C -1.202 174.900 176.300 -0.329 0.000 1.097 2221 M CA -0.540 54.649 55.300 -0.186 0.000 0.928 2221 M CB 2.696 35.228 32.600 -0.113 0.000 1.648 2221 M HN 0.521 nan 8.290 nan 0.000 0.460 2222 E N 1.474 121.546 120.200 -0.213 0.000 2.227 2222 E HA 0.460 4.810 4.350 0.001 0.000 0.282 2222 E C -0.663 175.869 176.600 -0.113 0.000 1.015 2222 E CA -0.287 55.999 56.400 -0.189 0.000 0.823 2222 E CB 2.134 31.768 29.700 -0.109 0.000 1.081 2222 E HN 0.451 nan 8.360 nan 0.000 0.396 2223 T N 1.983 116.478 114.554 -0.097 0.000 2.909 2223 T HA 0.260 4.611 4.350 0.001 0.000 0.299 2223 T C -1.681 173.041 174.700 0.037 0.000 1.073 2223 T CA -0.616 61.465 62.100 -0.033 0.000 0.999 2223 T CB 1.225 70.059 68.868 -0.058 0.000 1.098 2223 T HN 0.439 nan 8.240 nan 0.000 0.477 2224 H N 3.208 122.255 119.070 -0.038 0.000 2.974 2224 H HA 0.354 4.911 4.556 0.002 0.000 0.366 2224 H C -2.447 172.874 175.328 -0.011 0.000 1.155 2224 H CA -1.697 54.341 56.048 -0.016 0.000 1.186 2224 H CB 2.716 32.471 29.762 -0.011 0.000 1.799 2224 H HN 0.318 nan 8.280 nan 0.000 0.541 2225 P HA -0.100 nan 4.420 nan 0.000 0.216 2225 P C -0.666 176.748 177.300 0.190 0.000 1.150 2225 P CA 1.511 64.648 63.100 0.062 0.000 0.843 2225 P CB 0.410 32.089 31.700 -0.036 0.000 0.787 2226 E N -2.587 117.891 120.200 0.463 0.000 2.923 2226 E HA 0.145 4.496 4.350 0.001 0.000 0.266 2226 E C -2.252 174.329 176.600 -0.031 0.000 1.157 2226 E CA -1.536 54.980 56.400 0.193 0.000 0.795 2226 E CB 1.107 30.882 29.700 0.125 0.000 1.454 2226 E HN 0.066 nan 8.360 nan 0.000 0.386 2227 P HA -0.314 nan 4.420 nan 0.000 0.217 2227 P C 1.257 178.416 177.300 -0.235 0.000 1.151 2227 P CA 1.496 64.456 63.100 -0.233 0.000 0.849 2227 P CB 0.175 31.833 31.700 -0.070 0.000 0.787 2228 E N 0.656 120.778 120.200 -0.129 0.000 2.130 2228 E HA -0.236 4.114 4.350 0.001 0.000 0.196 2228 E C 1.184 177.714 176.600 -0.115 0.000 0.998 2228 E CA 1.336 57.681 56.400 -0.092 0.000 0.806 2228 E CB -0.827 28.844 29.700 -0.048 0.000 0.738 2228 E HN 0.316 nan 8.360 nan 0.000 0.459 2229 K N 0.643 120.948 120.400 -0.158 0.000 2.374 2229 K HA 0.313 4.634 4.320 0.001 0.000 0.196 2229 K C 0.361 176.829 176.600 -0.221 0.000 1.023 2229 K CA 0.118 56.324 56.287 -0.135 0.000 1.103 2229 K CB 0.775 33.243 32.500 -0.052 0.000 0.848 2229 K HN 0.132 nan 8.250 nan 0.000 0.528 2230 A N 1.210 123.786 122.820 -0.407 0.000 2.520 2230 A HA 0.038 4.358 4.320 0.001 0.000 0.235 2230 A C 0.981 178.465 177.584 -0.167 0.000 1.065 2230 A CA 0.042 51.841 52.037 -0.397 0.000 0.764 2230 A CB 0.107 18.859 19.000 -0.413 0.000 1.002 2230 A HN 0.308 nan 8.150 nan 0.000 0.502 2231 L N 1.141 122.282 121.223 -0.135 0.000 2.558 2231 L HA 0.118 4.459 4.340 0.001 0.000 0.225 2231 L C 1.044 177.939 176.870 0.042 0.000 1.128 2231 L CA 0.802 55.544 54.840 -0.163 0.000 0.868 2231 L CB -0.142 41.540 42.059 -0.629 0.000 1.006 2231 L HN 0.702 nan 8.230 nan 0.000 0.454 2232 S N -1.069 114.673 115.700 0.070 0.000 2.537 2232 S HA 0.281 4.752 4.470 0.001 0.000 0.270 2232 S C -0.867 173.780 174.600 0.078 0.000 1.142 2232 S CA -0.663 57.612 58.200 0.125 0.000 0.870 2232 S CB 1.194 64.518 63.200 0.207 0.000 1.112 2232 S HN 0.250 nan 8.310 nan 0.000 0.466 2233 D N 1.580 122.029 120.400 0.082 0.000 2.702 2233 D HA -0.181 4.460 4.640 0.001 0.000 0.233 2233 D C 1.166 177.474 176.300 0.012 0.000 1.164 2233 D CA 1.090 55.128 54.000 0.063 0.000 0.638 2233 D CB -1.263 39.592 40.800 0.091 0.000 1.041 2233 D HN 0.705 nan 8.370 nan 0.000 0.422 2234 A N -0.412 122.401 122.820 -0.012 0.000 1.908 2234 A HA -0.215 4.106 4.320 0.001 0.000 0.218 2234 A C 2.363 179.924 177.584 -0.038 0.000 1.181 2234 A CA 1.973 53.974 52.037 -0.059 0.000 0.627 2234 A CB -0.282 18.679 19.000 -0.065 0.000 0.818 2234 A HN 0.338 nan 8.150 nan 0.000 0.445 2235 S N -0.661 115.034 115.700 -0.009 0.000 2.442 2235 S HA -0.097 4.374 4.470 0.001 0.000 0.236 2235 S C 1.750 176.353 174.600 0.004 0.000 1.007 2235 S CA 1.769 59.970 58.200 0.002 0.000 0.965 2235 S CB -0.313 62.900 63.200 0.022 0.000 0.773 2235 S HN 0.898 nan 8.310 nan 0.000 0.504 2236 T N -1.530 113.024 114.554 -0.000 0.000 3.003 2236 T HA 0.249 4.600 4.350 0.001 0.000 0.261 2236 T C 0.343 175.026 174.700 -0.028 0.000 1.003 2236 T CA -0.315 61.781 62.100 -0.008 0.000 0.917 2236 T CB 0.056 68.917 68.868 -0.011 0.000 1.084 2236 T HN 0.158 nan 8.240 nan 0.000 0.522 2237 Q N 1.221 121.005 119.800 -0.028 0.000 2.337 2237 Q HA 0.382 4.723 4.340 0.001 0.000 0.270 2237 Q C -0.808 175.185 176.000 -0.012 0.000 1.002 2237 Q CA -0.453 55.337 55.803 -0.022 0.000 0.888 2237 Q CB 1.031 29.773 28.738 0.006 0.000 1.222 2237 Q HN 0.295 nan 8.270 nan 0.000 0.400 2238 L N 5.727 126.939 121.223 -0.018 0.000 2.380 2238 L HA 0.233 4.574 4.340 0.001 0.000 0.273 2238 L C -2.296 174.574 176.870 -0.001 0.000 1.138 2238 L CA -1.447 53.382 54.840 -0.019 0.000 0.832 2238 L CB 0.677 42.712 42.059 -0.040 0.000 1.124 2238 L HN 0.408 nan 8.230 nan 0.000 0.454 2239 P HA -0.014 nan 4.420 nan 0.000 0.264 2239 P C 0.904 178.205 177.300 0.002 0.000 1.193 2239 P CA 0.126 63.234 63.100 0.014 0.000 0.763 2239 P CB 0.576 32.278 31.700 0.004 0.000 0.810 2240 L N 3.041 124.271 121.223 0.012 0.000 2.043 2240 L HA -0.268 4.073 4.340 0.001 0.000 0.212 2240 L C 2.084 178.946 176.870 -0.013 0.000 1.075 2240 L CA 2.465 57.300 54.840 -0.008 0.000 0.752 2240 L CB -0.590 41.461 42.059 -0.014 0.000 0.891 2240 L HN 0.451 nan 8.230 nan 0.000 0.432 2241 S N -1.619 114.076 115.700 -0.008 0.000 2.442 2241 S HA -0.242 4.229 4.470 0.001 0.000 0.236 2241 S C 1.661 176.251 174.600 -0.016 0.000 1.007 2241 S CA 0.930 59.124 58.200 -0.008 0.000 0.965 2241 S CB -0.226 62.972 63.200 -0.004 0.000 0.773 2241 S HN 0.559 nan 8.310 nan 0.000 0.504 2242 Q N -0.305 119.477 119.800 -0.029 0.000 2.424 2242 Q HA 0.272 4.613 4.340 0.001 0.000 0.204 2242 Q C 1.770 177.720 176.000 -0.083 0.000 0.933 2242 Q CA 0.068 55.836 55.803 -0.059 0.000 0.929 2242 Q CB -0.115 28.579 28.738 -0.073 0.000 1.037 2242 Q HN 0.445 nan 8.270 nan 0.000 0.511 2243 L N 1.433 122.625 121.223 -0.052 0.000 2.012 2243 L HA -0.221 4.119 4.340 0.001 0.000 0.210 2243 L C 2.135 178.991 176.870 -0.022 0.000 1.073 2243 L CA 1.955 56.768 54.840 -0.045 0.000 0.748 2243 L CB -0.433 41.620 42.059 -0.011 0.000 0.891 2243 L HN 0.223 nan 8.230 nan 0.000 0.431 2244 E N -0.999 119.222 120.200 0.034 0.000 2.038 2244 E HA -0.218 4.133 4.350 0.001 0.000 0.195 2244 E C 2.084 178.725 176.600 0.069 0.000 1.000 2244 E CA 1.234 57.708 56.400 0.123 0.000 0.803 2244 E CB -0.511 29.287 29.700 0.164 0.000 0.750 2244 E HN 0.602 nan 8.360 nan 0.000 0.448 2245 G N 1.178 109.983 108.800 0.009 0.000 2.442 2245 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 2245 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 2245 G C 1.597 176.425 174.900 -0.120 0.000 1.141 2245 G CA 0.934 46.020 45.100 -0.023 0.000 0.763 2245 G HN 0.275 nan 8.290 nan 0.000 0.554 2246 I N 0.184 120.601 120.570 -0.254 0.000 2.353 2246 I HA -0.050 4.121 4.170 0.001 0.000 0.248 2246 I C 2.598 178.611 176.117 -0.173 0.000 1.119 2246 I CA 0.531 61.588 61.300 -0.405 0.000 1.417 2246 I CB -0.106 37.592 38.000 -0.503 0.000 1.078 2246 I HN 0.155 nan 8.210 nan 0.000 0.421 2247 I N 0.582 121.050 120.570 -0.170 0.000 2.202 2247 I HA -0.279 3.892 4.170 0.001 0.000 0.242 2247 I C 2.606 178.544 176.117 -0.298 0.000 1.091 2247 I CA 1.270 62.411 61.300 -0.265 0.000 1.368 2247 I CB -0.258 37.483 38.000 -0.432 0.000 1.058 2247 I HN 0.190 nan 8.210 nan 0.000 0.410 2248 E N 1.535 121.625 120.200 -0.183 0.000 2.085 2248 E HA -0.227 4.124 4.350 0.001 0.000 0.194 2248 E C 2.094 178.712 176.600 0.030 0.000 0.994 2248 E CA 1.839 58.249 56.400 0.017 0.000 0.801 2248 E CB -0.238 29.582 29.700 0.201 0.000 0.743 2248 E HN 0.414 nan 8.360 nan 0.000 0.453 2249 A N 1.211 124.067 122.820 0.060 0.000 1.908 2249 A HA -0.149 4.172 4.320 0.001 0.000 0.218 2249 A C 2.382 180.025 177.584 0.098 0.000 1.181 2249 A CA 1.849 53.974 52.037 0.148 0.000 0.627 2249 A CB -1.028 18.207 19.000 0.391 0.000 0.818 2249 A HN 0.547 nan 8.150 nan 0.000 0.445 2250 I N -3.119 117.485 120.570 0.056 0.000 2.761 2250 I HA -0.054 4.116 4.170 0.001 0.000 0.261 2250 I C 1.994 178.023 176.117 -0.147 0.000 1.198 2250 I CA 0.936 62.230 61.300 -0.010 0.000 1.482 2250 I CB -0.389 37.626 38.000 0.026 0.000 1.100 2250 I HN 0.192 nan 8.210 nan 0.000 0.445 2251 L N 1.204 122.335 121.223 -0.153 0.000 2.072 2251 L HA -0.101 4.240 4.340 0.001 0.000 0.205 2251 L C 2.661 179.473 176.870 -0.095 0.000 1.079 2251 L CA 1.468 56.202 54.840 -0.176 0.000 0.752 2251 L CB -0.468 41.528 42.059 -0.105 0.000 0.906 2251 L HN 0.255 nan 8.230 nan 0.000 0.436 2252 E N 0.343 120.522 120.200 -0.035 0.000 2.072 2252 E HA -0.201 4.150 4.350 0.001 0.000 0.191 2252 E C 2.253 178.832 176.600 -0.034 0.000 0.985 2252 E CA 1.166 57.557 56.400 -0.015 0.000 0.801 2252 E CB -0.061 29.650 29.700 0.018 0.000 0.750 2252 E HN 0.443 nan 8.360 nan 0.000 0.452 2253 I N 0.829 121.379 120.570 -0.033 0.000 2.226 2253 I HA -0.275 3.895 4.170 0.001 0.000 0.245 2253 I C 2.733 178.819 176.117 -0.052 0.000 1.100 2253 I CA 1.075 62.354 61.300 -0.035 0.000 1.374 2253 I CB -0.225 37.760 38.000 -0.026 0.000 1.057 2253 I HN 0.031 nan 8.210 nan 0.000 0.413 2254 R N 0.998 121.446 120.500 -0.087 0.000 2.081 2254 R HA -0.225 4.115 4.340 0.001 0.000 0.235 2254 R C 2.363 178.579 176.300 -0.141 0.000 1.131 2254 R CA 1.576 57.618 56.100 -0.097 0.000 0.960 2254 R CB -0.263 29.895 30.300 -0.236 0.000 0.856 2254 R HN 0.246 nan 8.270 nan 0.000 0.436 2255 E N 0.311 120.438 120.200 -0.122 0.000 2.097 2255 E HA -0.167 4.184 4.350 0.001 0.000 0.196 2255 E C 1.825 178.346 176.600 -0.132 0.000 1.000 2255 E CA 1.777 58.109 56.400 -0.112 0.000 0.804 2255 E CB 0.005 29.664 29.700 -0.069 0.000 0.740 2255 E HN 0.296 nan 8.360 nan 0.000 0.454 2256 V N 0.711 120.564 119.914 -0.101 0.000 2.446 2256 V HA -0.103 4.018 4.120 0.001 0.000 0.244 2256 V C 2.464 178.499 176.094 -0.099 0.000 1.039 2256 V CA 1.511 63.762 62.300 -0.082 0.000 1.045 2256 V CB -0.585 31.223 31.823 -0.025 0.000 0.681 2256 V HN 0.320 nan 8.190 nan 0.000 0.459 2257 A N 0.759 123.516 122.820 -0.105 0.000 2.014 2257 A HA -0.122 4.198 4.320 0.001 0.000 0.218 2257 A C 2.457 179.720 177.584 -0.535 0.000 1.163 2257 A CA 1.551 53.534 52.037 -0.090 0.000 0.652 2257 A CB -0.593 18.434 19.000 0.046 0.000 0.808 2257 A HN 0.652 nan 8.150 nan 0.000 0.449 2258 S N 0.504 115.692 115.700 -0.853 0.000 2.419 2258 S HA -0.259 4.212 4.470 0.001 0.000 0.235 2258 S C 1.817 175.924 174.600 -0.823 0.000 1.019 2258 S CA 1.604 58.955 58.200 -1.416 0.000 0.982 2258 S CB -0.440 62.362 63.200 -0.664 0.000 0.789 2258 S HN 0.665 nan 8.310 nan 0.000 0.490 2259 K N 0.645 120.678 120.400 -0.612 0.000 2.211 2259 K HA -0.143 4.178 4.320 0.001 0.000 0.204 2259 K C 0.768 176.959 176.600 -0.681 0.000 1.047 2259 K CA 1.463 57.357 56.287 -0.655 0.000 0.935 2259 K CB -0.236 31.745 32.500 -0.864 0.000 0.728 2259 K HN 0.653 nan 8.250 nan 0.000 0.452 2260 Y N -0.864 119.310 120.300 -0.209 0.000 2.507 2260 Y HA 0.158 4.709 4.550 0.001 0.000 0.254 2260 Y C -0.363 175.578 175.900 0.067 0.000 1.171 2260 Y CA -1.104 56.956 58.100 -0.066 0.000 1.238 2260 Y CB 0.229 38.665 38.460 -0.040 0.000 1.148 2260 Y HN -0.138 nan 8.280 nan 0.000 0.525 2261 Y N 2.096 122.435 120.300 0.066 0.000 2.620 2261 Y HA 0.104 4.655 4.550 0.001 0.000 0.330 2261 Y C 0.690 176.608 175.900 0.030 0.000 1.186 2261 Y CA -1.140 56.985 58.100 0.042 0.000 1.467 2261 Y CB -0.025 38.446 38.460 0.019 0.000 1.262 2261 Y HN 0.140 nan 8.280 nan 0.000 0.550 2262 E N 0.708 121.019 120.200 0.185 0.000 2.383 2262 E HA 0.094 4.445 4.350 0.001 0.000 0.264 2262 E C 1.128 177.770 176.600 0.071 0.000 1.050 2262 E CA 0.174 56.633 56.400 0.099 0.000 0.896 2262 E CB 0.534 30.270 29.700 0.059 0.000 0.982 2262 E HN 0.594 nan 8.360 nan 0.000 0.424 2263 T N 2.512 117.095 114.554 0.048 0.000 2.674 2263 T HA -0.048 4.303 4.350 0.001 0.000 0.265 2263 T C 0.962 175.667 174.700 0.008 0.000 1.039 2263 T CA 1.253 63.372 62.100 0.031 0.000 1.150 2263 T CB -0.846 68.035 68.868 0.023 0.000 0.864 2263 T HN 0.694 nan 8.240 nan 0.000 0.427 2264 I N 0.000 120.569 120.570 -0.002 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.284 61.300 -0.027 0.000 1.566 2264 I CB 0.000 37.963 38.000 -0.062 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494