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 1y1s_1_C DATA FIRST_RESID 2004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MKQTESHAVK IVVEAARRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2004 S HA 0.000 nan 4.470 nan 0.000 0.327 2004 S C 0.000 174.585 174.600 -0.026 0.000 1.055 2004 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 2004 S CB 0.000 63.163 63.200 -0.062 0.000 0.593 2005 D N 1.442 121.840 120.400 -0.002 0.000 2.327 2005 D HA 0.141 4.781 4.640 -0.000 0.000 0.205 2005 D C 1.032 177.345 176.300 0.022 0.000 0.989 2005 D CA 1.364 55.368 54.000 0.007 0.000 0.873 2005 D CB 0.473 41.283 40.800 0.016 0.000 0.955 2005 D HN 0.551 nan 8.370 nan 0.000 0.515 2006 V N -2.239 117.693 119.914 0.031 0.000 2.919 2006 V HA 0.387 4.507 4.120 -0.000 0.000 0.316 2006 V C 0.853 176.987 176.094 0.068 0.000 1.077 2006 V CA -0.989 61.352 62.300 0.068 0.000 0.977 2006 V CB 1.732 33.601 31.823 0.077 0.000 1.039 2006 V HN -0.031 nan 8.190 nan 0.000 0.441 2007 F N 0.562 120.468 119.950 -0.073 0.000 2.259 2007 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 2007 F C 1.895 177.514 175.800 -0.303 0.000 1.088 2007 F CA 2.131 60.016 58.000 -0.192 0.000 1.358 2007 F CB 0.268 39.126 39.000 -0.238 0.000 1.040 2007 F HN 0.835 nan 8.300 nan 0.000 0.505 2008 H N -2.145 117.089 119.070 0.274 0.000 2.501 2008 H HA 0.144 4.700 4.556 -0.000 0.000 0.281 2008 H C 1.519 176.926 175.328 0.131 0.000 0.988 2008 H CA 0.316 56.479 56.048 0.193 0.000 1.232 2008 H CB 0.058 29.842 29.762 0.036 0.000 1.455 2008 H HN 0.011 nan 8.280 nan 0.000 0.501 2009 L N 0.398 121.733 121.223 0.186 0.000 2.465 2009 L HA 0.153 4.493 4.340 -0.000 0.000 0.224 2009 L C 1.228 178.295 176.870 0.328 0.000 1.145 2009 L CA 1.328 56.295 54.840 0.212 0.000 0.834 2009 L CB -0.861 41.246 42.059 0.080 0.000 0.944 2009 L HN 0.530 nan 8.230 nan 0.000 0.451 2010 G N 0.044 108.959 108.800 0.192 0.000 2.356 2010 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.296 2010 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.296 2010 G C 0.135 175.140 174.900 0.174 0.000 1.022 2010 G CA 0.688 45.886 45.100 0.164 0.000 0.961 2010 G HN 0.326 nan 8.290 nan 0.000 0.510 2011 L N -1.016 120.269 121.223 0.104 0.000 2.257 2011 L HA 0.935 5.275 4.340 -0.000 0.000 0.257 2011 L C 0.640 177.535 176.870 0.042 0.000 1.033 2011 L CA -0.562 54.321 54.840 0.072 0.000 0.835 2011 L CB 2.417 44.519 42.059 0.073 0.000 1.398 2011 L HN 0.392 nan 8.230 nan 0.000 0.429 2012 T N -3.422 111.150 114.554 0.030 0.000 2.901 2012 T HA 0.332 4.682 4.350 -0.000 0.000 0.293 2012 T C 0.363 175.074 174.700 0.017 0.000 1.084 2012 T CA -0.724 61.388 62.100 0.019 0.000 1.008 2012 T CB 2.250 71.124 68.868 0.010 0.000 1.170 2012 T HN 0.521 nan 8.240 nan 0.000 0.509 2013 K N 1.371 121.780 120.400 0.015 0.000 2.020 2013 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 2013 K C 2.106 178.710 176.600 0.007 0.000 1.050 2013 K CA 2.424 58.719 56.287 0.013 0.000 0.929 2013 K CB -0.753 31.753 32.500 0.011 0.000 0.714 2013 K HN 0.702 nan 8.250 nan 0.000 0.443 2014 N N 0.503 119.205 118.700 0.004 0.000 2.104 2014 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 2014 N C 1.236 176.745 175.510 -0.001 0.000 1.024 2014 N CA 1.968 55.019 53.050 0.000 0.000 0.853 2014 N CB -0.411 38.075 38.487 -0.002 0.000 1.008 2014 N HN 0.220 nan 8.380 nan 0.000 0.424 2015 D N -0.544 119.857 120.400 0.001 0.000 2.228 2015 D HA -0.128 4.512 4.640 -0.000 0.000 0.203 2015 D C 1.414 177.714 176.300 0.000 0.000 0.988 2015 D CA 0.578 54.577 54.000 -0.002 0.000 0.864 2015 D CB -0.165 40.638 40.800 0.006 0.000 0.928 2015 D HN 0.286 nan 8.370 nan 0.000 0.469 2016 L N 0.308 121.534 121.223 0.005 0.000 2.492 2016 L HA 0.032 4.371 4.340 -0.000 0.000 0.223 2016 L C 0.705 177.575 176.870 -0.000 0.000 1.132 2016 L CA 0.516 55.359 54.840 0.005 0.000 0.850 2016 L CB -0.083 41.979 42.059 0.005 0.000 0.966 2016 L HN -0.058 nan 8.230 nan 0.000 0.454 2017 Q N -0.018 119.781 119.800 -0.002 0.000 2.461 2017 Q HA -0.254 4.086 4.340 -0.000 0.000 0.273 2017 Q C 1.174 177.171 176.000 -0.004 0.000 1.163 2017 Q CA 0.986 56.787 55.803 -0.003 0.000 0.929 2017 Q CB -2.281 26.455 28.738 -0.003 0.000 1.334 2017 Q HN 0.650 nan 8.270 nan 0.000 0.499 2018 G N -1.841 106.956 108.800 -0.005 0.000 2.147 2018 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 2018 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 2018 G C 0.320 175.212 174.900 -0.014 0.000 1.005 2018 G CA 0.590 45.685 45.100 -0.008 0.000 0.713 2018 G HN 1.120 nan 8.290 nan 0.000 0.515 2019 A N -0.851 121.959 122.820 -0.017 0.000 2.386 2019 A HA 0.691 5.011 4.320 -0.000 0.000 0.248 2019 A C 1.064 178.619 177.584 -0.049 0.000 1.082 2019 A CA 1.000 53.019 52.037 -0.030 0.000 0.789 2019 A CB 0.394 19.378 19.000 -0.027 0.000 1.025 2019 A HN 0.565 nan 8.150 nan 0.000 0.490 2020 Q N 0.219 119.977 119.800 -0.070 0.000 2.210 2020 Q HA 0.281 4.621 4.340 -0.000 0.000 0.252 2020 Q C -0.410 175.490 176.000 -0.167 0.000 0.811 2020 Q CA -0.058 55.687 55.803 -0.096 0.000 0.953 2020 Q CB 0.738 29.438 28.738 -0.064 0.000 1.136 2020 Q HN 0.692 nan 8.270 nan 0.000 0.491 2021 L N 0.923 122.053 121.223 -0.156 0.000 2.329 2021 L HA 0.804 5.143 4.340 -0.000 0.000 0.279 2021 L C -1.614 175.132 176.870 -0.207 0.000 1.014 2021 L CA -0.655 54.063 54.840 -0.203 0.000 0.814 2021 L CB 1.627 43.613 42.059 -0.121 0.000 1.257 2021 L HN -0.057 nan 8.230 nan 0.000 0.424 2022 A N 6.040 128.681 122.820 -0.300 0.000 2.353 2022 A HA 0.617 4.937 4.320 -0.000 0.000 0.299 2022 A C -0.877 176.674 177.584 -0.054 0.000 1.089 2022 A CA -0.494 51.438 52.037 -0.174 0.000 0.736 2022 A CB 0.838 19.708 19.000 -0.217 0.000 1.195 2022 A HN 0.681 nan 8.150 nan 0.000 0.447 2023 I N 2.441 123.013 120.570 0.004 0.000 2.474 2023 I HA 0.378 4.547 4.170 -0.000 0.000 0.287 2023 I C -0.119 176.045 176.117 0.079 0.000 1.048 2023 I CA -0.306 61.015 61.300 0.036 0.000 1.383 2023 I CB 1.661 39.671 38.000 0.017 0.000 1.412 2023 I HN 0.488 nan 8.210 nan 0.000 0.531 2024 V N 5.428 125.402 119.914 0.101 0.000 2.439 2024 V HA 0.522 4.641 4.120 -0.000 0.000 0.277 2024 V C -2.640 173.503 176.094 0.081 0.000 1.008 2024 V CA -1.623 60.748 62.300 0.118 0.000 0.846 2024 V CB 0.854 32.786 31.823 0.182 0.000 1.031 2024 V HN 0.481 nan 8.190 nan 0.000 0.441 2025 P HA 0.376 nan 4.420 nan 0.000 0.279 2025 P C 0.804 178.129 177.300 0.041 0.000 1.276 2025 P CA 0.245 63.366 63.100 0.036 0.000 0.801 2025 P CB 1.982 33.690 31.700 0.014 0.000 1.127 2026 G N -0.913 107.901 108.800 0.023 0.000 2.545 2026 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.212 2026 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.212 2026 G C 0.325 175.224 174.900 -0.002 0.000 1.144 2026 G CA 0.356 45.466 45.100 0.016 0.000 0.813 2026 G HN 0.510 nan 8.290 nan 0.000 0.531 2027 D N 0.214 120.609 120.400 -0.008 0.000 2.232 2027 D HA 0.289 4.929 4.640 -0.000 0.000 0.242 2027 D C -1.590 174.700 176.300 -0.016 0.000 1.093 2027 D CA -2.063 51.924 54.000 -0.022 0.000 0.845 2027 D CB 2.413 43.197 40.800 -0.026 0.000 1.124 2027 D HN -0.099 nan 8.370 nan 0.000 0.467 2028 P HA -0.100 nan 4.420 nan 0.000 0.216 2028 P C 0.924 178.217 177.300 -0.012 0.000 1.150 2028 P CA 0.820 63.921 63.100 0.001 0.000 0.837 2028 P CB 0.379 32.077 31.700 -0.004 0.000 0.786 2029 E N -0.541 119.644 120.200 -0.025 0.000 2.267 2029 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 2029 E C 1.748 178.307 176.600 -0.068 0.000 0.998 2029 E CA 0.889 57.266 56.400 -0.038 0.000 0.830 2029 E CB -0.241 29.438 29.700 -0.034 0.000 0.751 2029 E HN 0.305 nan 8.360 nan 0.000 0.491 2030 R N 0.196 120.656 120.500 -0.066 0.000 2.280 2030 R HA 0.073 4.413 4.340 -0.000 0.000 0.195 2030 R C 2.339 178.559 176.300 -0.133 0.000 0.935 2030 R CA 0.119 56.167 56.100 -0.086 0.000 1.033 2030 R CB -0.429 29.839 30.300 -0.054 0.000 0.964 2030 R HN 0.050 nan 8.270 nan 0.000 0.489 2031 V N 1.539 121.371 119.914 -0.136 0.000 2.252 2031 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 2031 V C 2.465 178.273 176.094 -0.475 0.000 1.056 2031 V CA 2.246 64.429 62.300 -0.195 0.000 1.022 2031 V CB -0.467 31.305 31.823 -0.085 0.000 0.641 2031 V HN 0.367 nan 8.190 nan 0.000 0.445 2032 E N 0.177 119.949 120.200 -0.714 0.000 2.077 2032 E HA -0.258 4.091 4.350 -0.000 0.000 0.193 2032 E C 2.254 178.467 176.600 -0.644 0.000 0.989 2032 E CA 1.431 57.138 56.400 -1.155 0.000 0.800 2032 E CB -0.058 29.110 29.700 -0.886 0.000 0.746 2032 E HN 0.626 nan 8.360 nan 0.000 0.452 2033 K N 0.305 120.487 120.400 -0.363 0.000 2.032 2033 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 2033 K C 2.259 178.743 176.600 -0.193 0.000 1.048 2033 K CA 1.779 57.932 56.287 -0.224 0.000 0.927 2033 K CB -0.258 32.155 32.500 -0.145 0.000 0.712 2033 K HN 0.249 nan 8.250 nan 0.000 0.441 2034 I N 1.232 121.691 120.570 -0.185 0.000 2.142 2034 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 2034 I C 2.607 178.647 176.117 -0.128 0.000 1.078 2034 I CA 1.169 62.394 61.300 -0.124 0.000 1.343 2034 I CB -0.547 37.397 38.000 -0.092 0.000 1.046 2034 I HN 0.159 nan 8.210 nan 0.000 0.405 2035 A N 0.895 123.597 122.820 -0.198 0.000 2.024 2035 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 2035 A C 2.524 180.050 177.584 -0.096 0.000 1.164 2035 A CA 1.860 53.822 52.037 -0.125 0.000 0.643 2035 A CB -0.789 18.114 19.000 -0.161 0.000 0.806 2035 A HN 0.474 nan 8.150 nan 0.000 0.451 2036 A N -0.118 122.598 122.820 -0.174 0.000 1.978 2036 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 2036 A C 1.981 179.539 177.584 -0.043 0.000 1.170 2036 A CA 1.444 53.422 52.037 -0.100 0.000 0.636 2036 A CB -0.582 18.342 19.000 -0.127 0.000 0.810 2036 A HN 0.515 nan 8.150 nan 0.000 0.448 2037 L N -1.312 119.883 121.223 -0.047 0.000 2.549 2037 L HA -0.017 4.323 4.340 -0.000 0.000 0.229 2037 L C 1.028 177.893 176.870 -0.009 0.000 1.158 2037 L CA 0.228 55.054 54.840 -0.024 0.000 0.842 2037 L CB -0.534 41.510 42.059 -0.026 0.000 0.952 2037 L HN 0.455 nan 8.230 nan 0.000 0.452 2038 M N -1.690 117.911 119.600 0.001 0.000 2.852 2038 M HA 0.321 4.801 4.480 -0.000 0.000 0.301 2038 M C -0.600 175.719 176.300 0.031 0.000 1.229 2038 M CA -0.896 54.413 55.300 0.015 0.000 0.832 2038 M CB 1.282 33.894 32.600 0.020 0.000 1.726 2038 M HN -0.181 nan 8.290 nan 0.000 0.497 2039 D N 1.035 121.454 120.400 0.031 0.000 2.304 2039 D HA 0.151 4.791 4.640 -0.000 0.000 0.247 2039 D C -0.325 176.008 176.300 0.053 0.000 1.089 2039 D CA 0.024 54.045 54.000 0.036 0.000 0.910 2039 D CB 0.747 41.561 40.800 0.024 0.000 1.199 2039 D HN 0.375 nan 8.370 nan 0.000 0.426 2040 K N -0.433 120.000 120.400 0.055 0.000 3.156 2040 K HA -0.127 4.193 4.320 -0.000 0.000 0.266 2040 K C -2.356 174.304 176.600 0.100 0.000 0.966 2040 K CA 0.293 56.617 56.287 0.061 0.000 0.719 2040 K CB -1.696 30.826 32.500 0.037 0.000 1.333 2040 K HN 0.403 nan 8.250 nan 0.000 0.468 2041 P HA 0.093 nan 4.420 nan 0.000 0.270 2041 P C -0.452 177.043 177.300 0.324 0.000 1.242 2041 P CA -0.049 63.253 63.100 0.337 0.000 0.768 2041 P CB 0.986 32.910 31.700 0.374 0.000 0.820 2042 V N 4.271 124.226 119.914 0.069 0.000 2.656 2042 V HA 0.339 4.459 4.120 -0.000 0.000 0.307 2042 V C 0.528 176.060 176.094 -0.936 0.000 1.051 2042 V CA -1.040 61.033 62.300 -0.378 0.000 0.893 2042 V CB 2.162 33.864 31.823 -0.202 0.000 0.999 2042 V HN 0.440 nan 8.190 nan 0.000 0.426 2043 K N 2.705 122.173 120.400 -1.553 0.000 2.350 2043 K HA 0.414 4.734 4.320 -0.000 0.000 0.279 2043 K C 0.200 176.397 176.600 -0.672 0.000 1.027 2043 K CA -0.238 55.046 56.287 -1.673 0.000 0.969 2043 K CB 0.776 32.516 32.500 -1.267 0.000 0.954 2043 K HN 0.659 nan 8.250 nan 0.000 0.474 2044 L N 2.319 123.289 121.223 -0.422 0.000 2.262 2044 L HA 0.335 4.675 4.340 -0.000 0.000 0.197 2044 L C 0.549 177.340 176.870 -0.132 0.000 1.073 2044 L CA 0.319 55.046 54.840 -0.188 0.000 0.800 2044 L CB 0.226 42.243 42.059 -0.070 0.000 0.987 2044 L HN 0.816 nan 8.230 nan 0.000 0.470 2045 A N -1.278 121.476 122.820 -0.109 0.000 2.564 2045 A HA 0.619 4.938 4.320 -0.000 0.000 0.291 2045 A C -1.214 176.275 177.584 -0.159 0.000 1.102 2045 A CA -0.251 51.707 52.037 -0.132 0.000 0.660 2045 A CB 1.675 20.653 19.000 -0.037 0.000 1.283 2045 A HN -0.127 nan 8.150 nan 0.000 0.430 2046 S N 0.369 115.830 115.700 -0.399 0.000 2.614 2046 S HA 0.586 5.056 4.470 -0.000 0.000 0.259 2046 S C -1.901 172.415 174.600 -0.473 0.000 1.118 2046 S CA -0.501 57.540 58.200 -0.266 0.000 1.065 2046 S CB 0.215 63.355 63.200 -0.100 0.000 1.121 2046 S HN 0.767 nan 8.310 nan 0.000 0.458 2047 H N 3.729 122.895 119.070 0.160 0.000 2.667 2047 H HA 0.576 5.132 4.556 -0.000 0.000 0.353 2047 H C 0.768 176.192 175.328 0.160 0.000 1.072 2047 H CA -0.510 55.638 56.048 0.166 0.000 1.214 2047 H CB 1.433 31.326 29.762 0.217 0.000 1.600 2047 H HN 0.727 nan 8.280 nan 0.000 0.527 2048 R N 0.670 121.283 120.500 0.188 0.000 3.750 2048 R HA -0.251 4.089 4.340 -0.000 0.000 0.495 2048 R C 1.080 177.309 176.300 -0.119 0.000 0.241 2048 R CA 1.970 58.092 56.100 0.035 0.000 1.551 2048 R CB -0.824 29.506 30.300 0.049 0.000 0.956 2048 R HN 0.826 nan 8.270 nan 0.000 0.584 2049 E N 1.674 121.622 120.200 -0.420 0.000 2.489 2049 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 2049 E C -0.050 176.249 176.600 -0.502 0.000 1.057 2049 E CA 0.497 56.603 56.400 -0.490 0.000 0.866 2049 E CB 0.059 29.407 29.700 -0.586 0.000 0.916 2049 E HN 0.337 nan 8.360 nan 0.000 0.500 2050 F N 2.624 122.625 119.950 0.085 0.000 2.303 2050 F HA 0.233 4.760 4.527 -0.000 0.000 0.368 2050 F C 0.284 176.136 175.800 0.086 0.000 1.105 2050 F CA -0.940 57.116 58.000 0.094 0.000 1.153 2050 F CB 1.277 40.353 39.000 0.126 0.000 1.362 2050 F HN -0.201 nan 8.300 nan 0.000 0.511 2051 T N -0.502 114.176 114.554 0.207 0.000 2.756 2051 T HA 0.573 4.923 4.350 -0.000 0.000 0.290 2051 T C -0.117 174.726 174.700 0.238 0.000 0.985 2051 T CA -0.811 61.396 62.100 0.179 0.000 0.955 2051 T CB 0.963 69.924 68.868 0.155 0.000 0.930 2051 T HN 0.421 nan 8.240 nan 0.000 0.451 2052 S N 2.822 118.651 115.700 0.214 0.000 2.525 2052 S HA 0.762 5.232 4.470 -0.000 0.000 0.290 2052 S C -1.229 173.530 174.600 0.265 0.000 1.152 2052 S CA -0.996 57.337 58.200 0.220 0.000 1.072 2052 S CB 0.750 64.037 63.200 0.144 0.000 1.027 2052 S HN 0.830 nan 8.310 nan 0.000 0.500 2053 W N 0.729 122.045 121.300 0.028 0.000 3.127 2053 W HA 0.606 5.266 4.660 -0.000 0.000 0.330 2053 W C -0.069 176.458 176.519 0.012 0.000 1.187 2053 W CA -0.697 56.658 57.345 0.016 0.000 1.198 2053 W CB 1.985 31.453 29.460 0.013 0.000 1.408 2053 W HN 0.686 nan 8.180 nan 0.000 0.529 2054 R N 1.826 122.458 120.500 0.220 0.000 2.803 2054 R HA 0.945 5.285 4.340 -0.000 0.000 0.276 2054 R C -0.898 175.502 176.300 0.166 0.000 0.978 2054 R CA -0.502 55.681 56.100 0.138 0.000 0.939 2054 R CB 1.900 32.228 30.300 0.046 0.000 1.179 2054 R HN 0.617 nan 8.270 nan 0.000 0.472 2055 A N 1.901 124.787 122.820 0.111 0.000 2.536 2055 A HA 0.451 4.771 4.320 -0.000 0.000 0.293 2055 A C -1.685 175.930 177.584 0.052 0.000 1.119 2055 A CA -0.764 51.331 52.037 0.098 0.000 0.654 2055 A CB 1.621 20.689 19.000 0.114 0.000 1.291 2055 A HN 0.698 nan 8.150 nan 0.000 0.439 2056 E N -0.704 119.522 120.200 0.042 0.000 2.227 2056 E HA 0.608 4.958 4.350 -0.000 0.000 0.268 2056 E C -1.961 174.649 176.600 0.016 0.000 0.907 2056 E CA -0.787 55.627 56.400 0.023 0.000 0.786 2056 E CB 2.342 32.054 29.700 0.020 0.000 1.191 2056 E HN 0.367 nan 8.360 nan 0.000 0.411 2057 L N 3.280 124.507 121.223 0.007 0.000 2.504 2057 L HA 0.242 4.582 4.340 -0.000 0.000 0.265 2057 L C -1.140 175.729 176.870 -0.003 0.000 0.975 2057 L CA -0.039 54.801 54.840 0.001 0.000 0.864 2057 L CB 0.867 42.924 42.059 -0.004 0.000 1.212 2057 L HN 0.556 nan 8.230 nan 0.000 0.416 2058 D N 4.179 124.578 120.400 -0.002 0.000 2.772 2058 D HA -0.209 4.431 4.640 -0.000 0.000 0.233 2058 D C 1.085 177.383 176.300 -0.003 0.000 1.143 2058 D CA 1.482 55.480 54.000 -0.003 0.000 0.700 2058 D CB -0.842 39.954 40.800 -0.007 0.000 1.076 2058 D HN 1.165 nan 8.370 nan 0.000 0.430 2059 G N -1.024 107.776 108.800 -0.000 0.000 2.399 2059 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 2059 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 2059 G C 0.322 175.221 174.900 -0.001 0.000 1.096 2059 G CA 0.376 45.476 45.100 -0.000 0.000 0.650 2059 G HN 0.386 nan 8.290 nan 0.000 0.512 2060 K N 1.683 122.081 120.400 -0.004 0.000 2.185 2060 K HA 0.729 5.048 4.320 -0.000 0.000 0.271 2060 K C 0.510 177.108 176.600 -0.003 0.000 1.013 2060 K CA 0.536 56.819 56.287 -0.006 0.000 0.943 2060 K CB 1.426 33.919 32.500 -0.011 0.000 0.998 2060 K HN 0.798 nan 8.250 nan 0.000 0.468 2061 A N 2.018 124.836 122.820 -0.004 0.000 2.363 2061 A HA 0.491 4.811 4.320 -0.000 0.000 0.270 2061 A C -0.603 176.979 177.584 -0.004 0.000 1.121 2061 A CA -0.537 51.501 52.037 0.002 0.000 0.800 2061 A CB 0.460 19.461 19.000 0.002 0.000 1.052 2061 A HN 0.408 nan 8.150 nan 0.000 0.493 2062 V N 3.907 123.826 119.914 0.007 0.000 2.656 2062 V HA 0.366 4.486 4.120 -0.000 0.000 0.307 2062 V C -0.496 175.612 176.094 0.024 0.000 1.051 2062 V CA -0.628 61.673 62.300 0.001 0.000 0.893 2062 V CB 1.801 33.623 31.823 -0.000 0.000 0.999 2062 V HN 0.750 nan 8.190 nan 0.000 0.426 2063 I N 4.159 124.735 120.570 0.010 0.000 2.437 2063 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 2063 I C -0.319 175.833 176.117 0.058 0.000 0.984 2063 I CA -0.495 60.831 61.300 0.043 0.000 1.214 2063 I CB 1.857 39.871 38.000 0.023 0.000 1.365 2063 I HN 0.253 nan 8.210 nan 0.000 0.469 2064 V N 5.529 125.510 119.914 0.112 0.000 2.409 2064 V HA 0.345 4.465 4.120 -0.000 0.000 0.290 2064 V C -0.389 175.795 176.094 0.150 0.000 1.017 2064 V CA -0.479 61.883 62.300 0.105 0.000 0.841 2064 V CB 2.011 33.880 31.823 0.076 0.000 1.003 2064 V HN 0.926 nan 8.190 nan 0.000 0.426 2065 C N 4.861 124.246 119.300 0.142 0.000 2.712 2065 C HA 0.871 5.331 4.460 -0.000 0.000 0.308 2065 C C 0.579 175.673 174.990 0.173 0.000 1.201 2065 C CA -0.152 58.972 59.018 0.177 0.000 1.554 2065 C CB 1.728 29.580 27.740 0.186 0.000 2.117 2065 C HN 0.996 nan 8.230 nan 0.000 0.480 2066 S N 2.420 118.236 115.700 0.194 0.000 2.646 2066 S HA 0.560 5.030 4.470 -0.000 0.000 0.276 2066 S C 0.708 175.465 174.600 0.262 0.000 1.222 2066 S CA 0.333 58.631 58.200 0.163 0.000 1.014 2066 S CB 1.484 64.740 63.200 0.094 0.000 0.991 2066 S HN 1.072 nan 8.310 nan 0.000 0.533 2067 T N -1.749 112.913 114.554 0.180 0.000 3.026 2067 T HA 0.582 4.932 4.350 -0.000 0.000 0.245 2067 T C 1.215 175.972 174.700 0.095 0.000 1.004 2067 T CA 0.535 62.778 62.100 0.238 0.000 1.069 2067 T CB -0.767 68.182 68.868 0.135 0.000 1.005 2067 T HN 1.966 nan 8.240 nan 0.000 0.472 2068 G N 1.418 110.210 108.800 -0.014 0.000 2.472 2068 G HA2 0.005 3.965 3.960 -0.000 0.000 0.205 2068 G HA3 0.005 3.965 3.960 -0.000 0.000 0.205 2068 G C -1.051 173.827 174.900 -0.037 0.000 1.270 2068 G CA -0.507 44.538 45.100 -0.092 0.000 0.974 2068 G HN 0.620 nan 8.290 nan 0.000 0.542 2069 I N 1.988 122.530 120.570 -0.047 0.000 2.377 2069 I HA 0.597 4.767 4.170 -0.000 0.000 0.293 2069 I C 0.918 177.028 176.117 -0.012 0.000 0.987 2069 I CA 0.340 61.627 61.300 -0.022 0.000 1.185 2069 I CB 1.006 38.989 38.000 -0.029 0.000 1.341 2069 I HN 2.177 nan 8.210 nan 0.000 0.455 2070 G N 3.643 112.443 108.800 -0.000 0.000 2.690 2070 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.686 2070 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.686 2070 G C 0.519 175.419 174.900 -0.001 0.000 1.277 2070 G CA -0.394 44.705 45.100 -0.001 0.000 0.799 2070 G HN 0.958 nan 8.290 nan 0.000 0.613 2071 G N 0.186 108.981 108.800 -0.008 0.000 2.408 2071 G HA2 0.153 4.113 3.960 -0.000 0.000 0.217 2071 G HA3 0.153 4.113 3.960 -0.000 0.000 0.217 2071 G C 0.095 174.989 174.900 -0.009 0.000 1.150 2071 G CA 1.928 47.020 45.100 -0.013 0.000 0.776 2071 G HN 0.673 nan 8.290 nan 0.000 0.542 2072 P HA -0.154 nan 4.420 nan 0.000 0.213 2072 P C 2.548 179.859 177.300 0.018 0.000 1.170 2072 P CA 2.496 65.584 63.100 -0.020 0.000 0.902 2072 P CB -0.245 31.435 31.700 -0.032 0.000 0.789 2073 S N -1.584 114.149 115.700 0.055 0.000 2.359 2073 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 2073 S C 1.989 176.720 174.600 0.218 0.000 1.035 2073 S CA 2.240 60.550 58.200 0.184 0.000 1.018 2073 S CB -2.132 61.129 63.200 0.103 0.000 0.876 2073 S HN 0.101 nan 8.310 nan 0.000 0.448 2074 T N 3.102 117.721 114.554 0.108 0.000 2.665 2074 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 2074 T C 2.296 176.974 174.700 -0.036 0.000 1.035 2074 T CA 2.172 64.302 62.100 0.049 0.000 1.151 2074 T CB -0.979 67.884 68.868 -0.010 0.000 0.862 2074 T HN 0.824 nan 8.240 nan 0.000 0.438 2075 S N 0.897 116.574 115.700 -0.038 0.000 2.442 2075 S HA 0.002 4.472 4.470 -0.000 0.000 0.236 2075 S C 1.990 176.555 174.600 -0.058 0.000 1.007 2075 S CA 0.702 58.875 58.200 -0.045 0.000 0.965 2075 S CB -0.704 62.561 63.200 0.108 0.000 0.773 2075 S HN 0.515 nan 8.310 nan 0.000 0.504 2076 I N 1.296 121.803 120.570 -0.105 0.000 2.480 2076 I HA 0.027 4.197 4.170 -0.000 0.000 0.251 2076 I C 2.931 178.857 176.117 -0.319 0.000 1.124 2076 I CA 0.814 61.974 61.300 -0.233 0.000 1.444 2076 I CB -0.474 37.277 38.000 -0.414 0.000 1.098 2076 I HN 0.414 nan 8.210 nan 0.000 0.428 2077 A N 0.557 123.182 122.820 -0.325 0.000 1.855 2077 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 2077 A C 2.367 179.888 177.584 -0.105 0.000 1.191 2077 A CA 1.521 53.406 52.037 -0.254 0.000 0.613 2077 A CB -0.946 18.030 19.000 -0.040 0.000 0.829 2077 A HN 0.189 nan 8.150 nan 0.000 0.442 2078 V N 0.393 120.195 119.914 -0.186 0.000 2.332 2078 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 2078 V C 2.623 178.596 176.094 -0.201 0.000 1.055 2078 V CA 2.543 64.599 62.300 -0.408 0.000 1.038 2078 V CB -0.830 30.586 31.823 -0.678 0.000 0.651 2078 V HN 0.744 nan 8.190 nan 0.000 0.450 2079 E N 1.061 121.185 120.200 -0.126 0.000 2.017 2079 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 2079 E C 2.146 178.761 176.600 0.025 0.000 0.997 2079 E CA 2.053 58.437 56.400 -0.026 0.000 0.804 2079 E CB -0.386 29.321 29.700 0.011 0.000 0.757 2079 E HN 0.689 nan 8.360 nan 0.000 0.448 2080 E N 0.138 120.342 120.200 0.007 0.000 2.153 2080 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 2080 E C 2.362 179.005 176.600 0.072 0.000 0.988 2080 E CA 0.798 57.219 56.400 0.036 0.000 0.811 2080 E CB -0.179 29.529 29.700 0.013 0.000 0.746 2080 E HN 0.323 nan 8.360 nan 0.000 0.466 2081 L N 0.592 121.881 121.223 0.111 0.000 2.093 2081 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 2081 L C 2.521 179.520 176.870 0.215 0.000 1.085 2081 L CA 0.804 55.756 54.840 0.188 0.000 0.755 2081 L CB -0.307 41.967 42.059 0.357 0.000 0.904 2081 L HN 0.139 nan 8.230 nan 0.000 0.435 2082 A N -0.828 122.153 122.820 0.270 0.000 1.930 2082 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 2082 A C 2.118 179.773 177.584 0.118 0.000 1.175 2082 A CA 1.163 53.339 52.037 0.232 0.000 0.627 2082 A CB -0.360 18.762 19.000 0.204 0.000 0.815 2082 A HN 0.448 nan 8.150 nan 0.000 0.443 2083 Q N -0.593 119.264 119.800 0.094 0.000 2.226 2083 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 2083 Q C 1.509 177.541 176.000 0.054 0.000 0.975 2083 Q CA 1.009 56.851 55.803 0.066 0.000 0.866 2083 Q CB -0.230 28.544 28.738 0.060 0.000 0.915 2083 Q HN 0.673 nan 8.270 nan 0.000 0.440 2084 L N -1.463 119.795 121.223 0.058 0.000 2.591 2084 L HA 0.141 4.481 4.340 -0.000 0.000 0.228 2084 L C 1.182 178.067 176.870 0.026 0.000 1.133 2084 L CA 0.524 55.388 54.840 0.040 0.000 0.880 2084 L CB 0.293 42.378 42.059 0.043 0.000 1.033 2084 L HN 0.393 nan 8.230 nan 0.000 0.450 2085 G N -0.415 108.401 108.800 0.028 0.000 2.229 2085 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.189 2085 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.189 2085 G C 0.208 175.095 174.900 -0.022 0.000 1.000 2085 G CA -0.709 44.395 45.100 0.007 0.000 0.663 2085 G HN 0.041 nan 8.290 nan 0.000 0.493 2086 I N 1.507 122.056 120.570 -0.036 0.000 2.618 2086 I HA 0.312 4.481 4.170 -0.000 0.000 0.284 2086 I C 1.364 177.394 176.117 -0.145 0.000 1.146 2086 I CA 0.305 61.499 61.300 -0.178 0.000 1.425 2086 I CB 0.962 38.775 38.000 -0.312 0.000 1.383 2086 I HN 0.133 nan 8.210 nan 0.000 0.562 2087 R N 2.954 123.332 120.500 -0.205 0.000 2.435 2087 R HA 0.189 4.529 4.340 -0.000 0.000 0.221 2087 R C -0.063 176.181 176.300 -0.092 0.000 0.885 2087 R CA 0.258 56.319 56.100 -0.064 0.000 1.018 2087 R CB 0.493 30.777 30.300 -0.027 0.000 1.259 2087 R HN 0.518 nan 8.270 nan 0.000 0.597 2088 T N 1.352 115.726 114.554 -0.301 0.000 2.841 2088 T HA 0.610 4.960 4.350 -0.000 0.000 0.283 2088 T C -1.013 173.412 174.700 -0.459 0.000 1.000 2088 T CA -0.249 61.730 62.100 -0.203 0.000 0.977 2088 T CB 1.318 70.115 68.868 -0.119 0.000 0.979 2088 T HN -0.165 nan 8.240 nan 0.000 0.446 2089 F N 2.418 122.364 119.950 -0.008 0.000 2.518 2089 F HA 0.578 5.105 4.527 -0.000 0.000 0.323 2089 F C -0.378 175.417 175.800 -0.009 0.000 1.129 2089 F CA -1.032 56.963 58.000 -0.008 0.000 0.920 2089 F CB 1.396 40.386 39.000 -0.016 0.000 1.160 2089 F HN 0.181 nan 8.300 nan 0.000 0.440 2090 L N 4.350 125.655 121.223 0.136 0.000 2.333 2090 L HA 0.569 4.909 4.340 -0.000 0.000 0.280 2090 L C -0.182 176.736 176.870 0.079 0.000 1.004 2090 L CA -0.934 53.953 54.840 0.079 0.000 0.820 2090 L CB 1.631 43.707 42.059 0.029 0.000 1.247 2090 L HN 0.481 nan 8.230 nan 0.000 0.416 2091 R N 3.855 124.392 120.500 0.061 0.000 2.221 2091 R HA 0.464 4.804 4.340 -0.000 0.000 0.327 2091 R C -0.923 175.395 176.300 0.029 0.000 1.033 2091 R CA -0.528 55.600 56.100 0.047 0.000 0.887 2091 R CB 1.685 32.005 30.300 0.034 0.000 1.057 2091 R HN 0.420 nan 8.270 nan 0.000 0.455 2092 I N 3.247 123.833 120.570 0.027 0.000 2.410 2092 I HA 0.517 4.687 4.170 -0.000 0.000 0.286 2092 I C -0.413 175.713 176.117 0.015 0.000 1.009 2092 I CA -0.132 61.178 61.300 0.017 0.000 1.111 2092 I CB 1.225 39.232 38.000 0.011 0.000 1.262 2092 I HN 0.705 nan 8.210 nan 0.000 0.443 2093 G N 4.855 113.663 108.800 0.014 0.000 2.975 2093 G HA2 0.699 4.659 3.960 -0.000 0.000 0.291 2093 G HA3 0.699 4.659 3.960 -0.000 0.000 0.291 2093 G C -1.106 173.802 174.900 0.014 0.000 1.334 2093 G CA -0.348 44.760 45.100 0.014 0.000 0.843 2093 G HN 0.568 nan 8.290 nan 0.000 0.548 2094 T N -2.830 111.735 114.554 0.017 0.000 2.863 2094 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 2094 T C -0.528 174.187 174.700 0.025 0.000 1.009 2094 T CA -0.525 61.586 62.100 0.019 0.000 0.989 2094 T CB 2.081 70.959 68.868 0.018 0.000 1.004 2094 T HN 0.997 nan 8.240 nan 0.000 0.455 2095 T N 0.276 114.844 114.554 0.022 0.000 2.821 2095 T HA 0.698 5.047 4.350 -0.000 0.000 0.306 2095 T C -0.567 174.141 174.700 0.014 0.000 1.313 2095 T CA -0.317 61.795 62.100 0.020 0.000 1.012 2095 T CB 1.396 70.271 68.868 0.011 0.000 1.298 2095 T HN 1.193 nan 8.240 nan 0.000 0.502 2096 G N 1.092 109.898 108.800 0.010 0.000 2.343 2096 G HA2 0.658 4.618 3.960 -0.000 0.000 0.319 2096 G HA3 0.658 4.618 3.960 -0.000 0.000 0.319 2096 G C -0.162 174.733 174.900 -0.008 0.000 1.126 2096 G CA -0.224 44.879 45.100 0.004 0.000 0.889 2096 G HN 0.966 nan 8.290 nan 0.000 0.457 2097 A N 1.995 124.797 122.820 -0.030 0.000 2.354 2097 A HA 0.528 4.848 4.320 -0.000 0.000 0.269 2097 A C 1.076 178.623 177.584 -0.061 0.000 1.109 2097 A CA -0.547 51.446 52.037 -0.073 0.000 0.800 2097 A CB 0.272 19.206 19.000 -0.110 0.000 1.045 2097 A HN 1.235 nan 8.150 nan 0.000 0.489 2098 I N -1.686 118.830 120.570 -0.091 0.000 4.018 2098 I HA 0.246 4.416 4.170 -0.000 0.000 0.337 2098 I C -0.129 175.954 176.117 -0.057 0.000 1.327 2098 I CA -0.198 61.071 61.300 -0.053 0.000 1.100 2098 I CB 0.215 38.165 38.000 -0.085 0.000 1.025 2098 I HN 0.317 nan 8.210 nan 0.000 0.396 2099 Q N 2.856 122.583 119.800 -0.121 0.000 2.307 2099 Q HA 0.371 4.711 4.340 -0.000 0.000 0.262 2099 Q C -1.756 174.150 176.000 -0.157 0.000 0.961 2099 Q CA -2.209 53.512 55.803 -0.136 0.000 0.882 2099 Q CB 2.049 30.605 28.738 -0.304 0.000 1.264 2099 Q HN 0.056 nan 8.270 nan 0.000 0.446 2100 P HA -0.218 nan 4.420 nan 0.000 0.215 2100 P C 0.934 178.234 177.300 0.000 0.000 1.153 2100 P CA 1.719 64.825 63.100 0.010 0.000 0.853 2100 P CB 0.038 31.777 31.700 0.064 0.000 0.788 2101 H N -0.605 118.442 119.070 -0.038 0.000 2.495 2101 H HA 0.061 4.617 4.556 -0.000 0.000 0.287 2101 H C 0.921 176.225 175.328 -0.041 0.000 1.033 2101 H CA 0.113 56.144 56.048 -0.029 0.000 1.307 2101 H CB -0.959 28.786 29.762 -0.028 0.000 1.401 2101 H HN 0.113 nan 8.280 nan 0.000 0.555 2102 I N 3.569 123.770 120.570 -0.615 0.000 2.436 2102 I HA 0.025 4.195 4.170 -0.000 0.000 0.289 2102 I C -0.140 175.900 176.117 -0.128 0.000 1.083 2102 I CA -0.016 61.027 61.300 -0.429 0.000 1.372 2102 I CB 0.195 37.874 38.000 -0.535 0.000 1.408 2102 I HN 0.153 nan 8.210 nan 0.000 0.516 2103 N N 5.476 124.181 118.700 0.008 0.000 2.430 2103 N HA 0.309 5.049 4.740 -0.000 0.000 0.298 2103 N C -0.319 175.210 175.510 0.032 0.000 1.130 2103 N CA -0.624 52.438 53.050 0.021 0.000 0.894 2103 N CB 2.343 40.856 38.487 0.043 0.000 1.209 2103 N HN 0.190 nan 8.380 nan 0.000 0.503 2104 V N 0.847 120.773 119.914 0.019 0.000 2.752 2104 V HA 0.131 4.251 4.120 -0.000 0.000 0.306 2104 V C 1.554 177.666 176.094 0.029 0.000 1.099 2104 V CA 1.566 63.878 62.300 0.020 0.000 1.240 2104 V CB 0.110 31.941 31.823 0.013 0.000 0.887 2104 V HN 1.085 nan 8.190 nan 0.000 0.499 2105 G N 3.301 112.120 108.800 0.032 0.000 2.195 2105 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.224 2105 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.224 2105 G C -0.135 174.798 174.900 0.055 0.000 0.990 2105 G CA 0.004 45.127 45.100 0.040 0.000 0.639 2105 G HN 0.675 nan 8.290 nan 0.000 0.514 2106 D N 0.689 121.125 120.400 0.061 0.000 2.255 2106 D HA 0.517 5.157 4.640 -0.000 0.000 0.249 2106 D C 0.916 177.256 176.300 0.066 0.000 1.078 2106 D CA 0.364 54.405 54.000 0.070 0.000 0.896 2106 D CB 2.015 42.921 40.800 0.177 0.000 1.194 2106 D HN 0.821 nan 8.370 nan 0.000 0.429 2107 V N -0.334 119.598 119.914 0.030 0.000 2.612 2107 V HA 0.621 4.741 4.120 -0.000 0.000 0.301 2107 V C -0.355 175.767 176.094 0.047 0.000 1.046 2107 V CA -0.771 61.546 62.300 0.029 0.000 0.946 2107 V CB 1.286 33.110 31.823 0.002 0.000 1.003 2107 V HN 0.330 nan 8.190 nan 0.000 0.459 2108 L N 4.514 125.765 121.223 0.046 0.000 2.372 2108 L HA 0.590 4.930 4.340 -0.000 0.000 0.274 2108 L C -0.681 176.205 176.870 0.027 0.000 0.988 2108 L CA -0.699 54.174 54.840 0.055 0.000 0.833 2108 L CB 1.915 44.001 42.059 0.043 0.000 1.236 2108 L HN 0.515 nan 8.230 nan 0.000 0.410 2109 V N 1.802 121.732 119.914 0.026 0.000 2.439 2109 V HA 0.361 4.481 4.120 -0.000 0.000 0.282 2109 V C 0.390 176.492 176.094 0.014 0.000 1.039 2109 V CA -0.266 62.041 62.300 0.011 0.000 0.913 2109 V CB 1.701 33.524 31.823 -0.000 0.000 0.983 2109 V HN 0.716 nan 8.190 nan 0.000 0.460 2110 T N 3.137 117.695 114.554 0.006 0.000 2.767 2110 T HA 0.279 4.628 4.350 -0.000 0.000 0.284 2110 T C 1.178 175.884 174.700 0.009 0.000 0.973 2110 T CA 0.106 62.207 62.100 0.002 0.000 0.996 2110 T CB 1.417 70.281 68.868 -0.008 0.000 0.927 2110 T HN 0.965 nan 8.240 nan 0.000 0.456 2111 T N 0.411 114.973 114.554 0.013 0.000 2.976 2111 T HA 0.533 4.883 4.350 -0.000 0.000 0.257 2111 T C 0.707 175.419 174.700 0.020 0.000 1.051 2111 T CA 0.270 62.386 62.100 0.027 0.000 1.141 2111 T CB 0.195 69.084 68.868 0.035 0.000 0.881 2111 T HN 0.762 nan 8.240 nan 0.000 0.461 2112 A N 0.035 122.856 122.820 0.002 0.000 2.601 2112 A HA 0.700 5.020 4.320 -0.000 0.000 0.291 2112 A C -1.068 176.498 177.584 -0.031 0.000 1.075 2112 A CA -0.839 51.194 52.037 -0.006 0.000 0.671 2112 A CB 1.352 20.348 19.000 -0.008 0.000 1.277 2112 A HN 0.243 nan 8.150 nan 0.000 0.417 2113 S N -0.507 115.171 115.700 -0.036 0.000 2.568 2113 S HA 0.605 5.075 4.470 -0.000 0.000 0.293 2113 S C -0.588 173.955 174.600 -0.096 0.000 1.089 2113 S CA -0.576 57.581 58.200 -0.072 0.000 0.945 2113 S CB 1.773 64.939 63.200 -0.056 0.000 1.077 2113 S HN 0.895 nan 8.310 nan 0.000 0.485 2114 V N 2.990 122.794 119.914 -0.184 0.000 2.439 2114 V HA 0.184 4.304 4.120 -0.000 0.000 0.271 2114 V C 0.614 176.619 176.094 -0.148 0.000 1.040 2114 V CA -0.097 62.054 62.300 -0.248 0.000 1.002 2114 V CB -0.076 31.386 31.823 -0.601 0.000 1.000 2114 V HN 0.690 nan 8.190 nan 0.000 0.477 2115 R N 5.270 125.737 120.500 -0.055 0.000 3.206 2115 R HA 0.220 4.560 4.340 -0.000 0.000 0.209 2115 R C 0.253 176.584 176.300 0.052 0.000 1.632 2115 R CA -0.021 56.086 56.100 0.011 0.000 1.234 2115 R CB -0.155 30.176 30.300 0.051 0.000 1.270 2115 R HN 0.668 nan 8.270 nan 0.000 0.665 2116 L N 2.037 123.296 121.223 0.058 0.000 2.851 2116 L HA 0.087 4.426 4.340 -0.000 0.000 0.237 2116 L C 0.370 177.330 176.870 0.150 0.000 1.257 2116 L CA -0.195 54.752 54.840 0.178 0.000 1.061 2116 L CB -0.708 41.499 42.059 0.247 0.000 1.372 2116 L HN 0.524 nan 8.230 nan 0.000 0.493 2117 D N -1.641 118.819 120.400 0.099 0.000 2.712 2117 D HA 0.356 4.996 4.640 -0.000 0.000 0.252 2117 D C 0.750 177.099 176.300 0.082 0.000 1.123 2117 D CA -0.177 53.867 54.000 0.073 0.000 1.109 2117 D CB 1.471 42.293 40.800 0.038 0.000 1.313 2117 D HN -0.100 nan 8.370 nan 0.000 0.629 2118 G N -1.524 107.306 108.800 0.049 0.000 2.649 2118 G HA2 0.298 4.257 3.960 -0.000 0.000 0.199 2118 G HA3 0.298 4.257 3.960 -0.000 0.000 0.199 2118 G C 1.224 176.126 174.900 0.005 0.000 1.085 2118 G CA 0.656 45.788 45.100 0.053 0.000 0.804 2118 G HN 0.621 nan 8.290 nan 0.000 0.671 2119 A N 1.363 124.144 122.820 -0.065 0.000 1.933 2119 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 2119 A C 2.558 180.255 177.584 0.188 0.000 1.175 2119 A CA 2.279 54.261 52.037 -0.093 0.000 0.628 2119 A CB -0.673 18.323 19.000 -0.007 0.000 0.814 2119 A HN 0.259 nan 8.150 nan 0.000 0.444 2120 S N 0.098 115.899 115.700 0.168 0.000 2.378 2120 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 2120 S C 1.720 176.473 174.600 0.254 0.000 1.052 2120 S CA 1.858 60.180 58.200 0.203 0.000 1.084 2120 S CB -0.619 62.654 63.200 0.122 0.000 0.950 2120 S HN 0.552 nan 8.310 nan 0.000 0.440 2121 L N 0.499 121.850 121.223 0.214 0.000 2.349 2121 L HA -0.124 4.216 4.340 -0.000 0.000 0.220 2121 L C 1.872 178.833 176.870 0.153 0.000 1.130 2121 L CA 1.092 56.039 54.840 0.180 0.000 0.791 2121 L CB -0.700 41.463 42.059 0.173 0.000 0.918 2121 L HN 0.489 nan 8.230 nan 0.000 0.444 2122 H N -1.715 117.323 119.070 -0.054 0.000 2.547 2122 H HA 0.031 4.587 4.556 -0.000 0.000 0.266 2122 H C 1.117 176.085 175.328 -0.601 0.000 0.988 2122 H CA 0.487 56.348 56.048 -0.313 0.000 1.147 2122 H CB 0.396 29.916 29.762 -0.404 0.000 1.365 2122 H HN 0.362 nan 8.280 nan 0.000 0.589 2123 F N -0.600 119.363 119.950 0.021 0.000 2.784 2123 F HA 0.431 4.958 4.527 -0.000 0.000 0.316 2123 F C 0.709 176.416 175.800 -0.155 0.000 1.026 2123 F CA -0.042 57.913 58.000 -0.075 0.000 1.188 2123 F CB 1.124 40.062 39.000 -0.103 0.000 0.999 2123 F HN -0.039 nan 8.300 nan 0.000 0.605 2124 A N 0.643 123.487 122.820 0.040 0.000 2.589 2124 A HA 0.602 4.922 4.320 -0.000 0.000 0.296 2124 A C -2.842 174.771 177.584 0.048 0.000 1.062 2124 A CA -1.358 50.641 52.037 -0.063 0.000 0.686 2124 A CB 0.632 19.414 19.000 -0.364 0.000 1.282 2124 A HN -0.161 nan 8.150 nan 0.000 0.404 2125 P HA 0.059 nan 4.420 nan 0.000 0.268 2125 P C 0.843 178.224 177.300 0.136 0.000 1.208 2125 P CA -0.098 63.057 63.100 0.090 0.000 0.777 2125 P CB 0.450 32.200 31.700 0.084 0.000 0.875 2126 M N 2.113 121.778 119.600 0.109 0.000 2.255 2126 M HA -0.218 4.262 4.480 -0.000 0.000 0.259 2126 M C 1.512 177.884 176.300 0.120 0.000 1.071 2126 M CA 1.923 57.291 55.300 0.112 0.000 1.074 2126 M CB -1.114 31.537 32.600 0.085 0.000 1.384 2126 M HN 0.342 nan 8.290 nan 0.000 0.415 2127 E N -0.761 119.510 120.200 0.118 0.000 2.085 2127 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 2127 E C 0.383 177.050 176.600 0.112 0.000 0.994 2127 E CA 0.818 57.276 56.400 0.096 0.000 0.801 2127 E CB -0.410 29.341 29.700 0.085 0.000 0.743 2127 E HN 0.497 nan 8.360 nan 0.000 0.453 2128 F N 2.471 122.440 119.950 0.030 0.000 2.607 2128 F HA 0.059 4.585 4.527 -0.000 0.000 0.374 2128 F C -1.919 173.895 175.800 0.024 0.000 1.104 2128 F CA -2.255 55.762 58.000 0.029 0.000 1.296 2128 F CB 0.501 39.525 39.000 0.039 0.000 1.085 2128 F HN -0.090 nan 8.300 nan 0.000 0.584 2129 P HA 0.173 nan 4.420 nan 0.000 0.287 2129 P C -1.285 176.077 177.300 0.103 0.000 1.281 2129 P CA -0.439 62.615 63.100 -0.076 0.000 0.781 2129 P CB 1.312 32.890 31.700 -0.204 0.000 0.903 2130 A N 4.284 127.171 122.820 0.111 0.000 3.048 2130 A HA 0.210 4.530 4.320 -0.000 0.000 0.264 2130 A C 0.413 178.035 177.584 0.064 0.000 1.796 2130 A CA -0.263 51.842 52.037 0.112 0.000 1.445 2130 A CB -1.064 17.969 19.000 0.056 0.000 1.074 2130 A HN 0.482 nan 8.150 nan 0.000 0.621 2131 V N 1.481 121.441 119.914 0.076 0.000 2.567 2131 V HA 0.665 4.785 4.120 -0.000 0.000 0.289 2131 V C 0.669 176.801 176.094 0.063 0.000 1.049 2131 V CA -0.082 62.245 62.300 0.044 0.000 0.969 2131 V CB 1.347 33.173 31.823 0.006 0.000 0.995 2131 V HN 0.859 nan 8.190 nan 0.000 0.471 2132 A N 4.706 127.558 122.820 0.054 0.000 2.271 2132 A HA 0.387 4.707 4.320 -0.000 0.000 0.288 2132 A C 0.103 177.738 177.584 0.084 0.000 1.094 2132 A CA -0.510 51.563 52.037 0.060 0.000 0.828 2132 A CB 0.380 19.407 19.000 0.044 0.000 1.091 2132 A HN 0.922 nan 8.150 nan 0.000 0.493 2133 D N 0.505 120.955 120.400 0.083 0.000 2.351 2133 D HA 0.044 4.684 4.640 -0.000 0.000 0.251 2133 D C 0.652 177.025 176.300 0.122 0.000 1.137 2133 D CA -0.185 53.879 54.000 0.107 0.000 0.879 2133 D CB 0.429 41.281 40.800 0.086 0.000 1.181 2133 D HN 0.405 nan 8.370 nan 0.000 0.448 2134 F N 4.470 124.429 119.950 0.015 0.000 2.091 2134 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 2134 F C 2.047 177.852 175.800 0.009 0.000 1.103 2134 F CA 1.937 59.943 58.000 0.009 0.000 1.228 2134 F CB -0.416 38.588 39.000 0.006 0.000 0.984 2134 F HN 0.525 nan 8.300 nan 0.000 0.477 2135 A N -0.398 122.384 122.820 -0.063 0.000 1.865 2135 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 2135 A C 2.438 179.922 177.584 -0.167 0.000 1.191 2135 A CA 1.979 53.922 52.037 -0.158 0.000 0.623 2135 A CB -1.666 17.324 19.000 -0.018 0.000 0.826 2135 A HN 0.571 nan 8.150 nan 0.000 0.444 2136 C N -1.059 118.195 119.300 -0.078 0.000 2.413 2136 C HA -0.092 4.368 4.460 -0.000 0.000 0.276 2136 C C 3.071 178.008 174.990 -0.088 0.000 1.236 2136 C CA 1.562 60.545 59.018 -0.059 0.000 1.735 2136 C CB -1.621 26.115 27.740 -0.007 0.000 2.031 2136 C HN 0.668 nan 8.230 nan 0.000 0.474 2137 T N 0.452 114.947 114.554 -0.097 0.000 2.684 2137 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 2137 T C 1.796 176.393 174.700 -0.172 0.000 1.036 2137 T CA 2.211 64.253 62.100 -0.098 0.000 1.148 2137 T CB -0.604 68.235 68.868 -0.048 0.000 0.863 2137 T HN 0.589 nan 8.240 nan 0.000 0.436 2138 T N 1.984 116.333 114.554 -0.342 0.000 2.684 2138 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 2138 T C 2.407 176.980 174.700 -0.212 0.000 1.036 2138 T CA 1.276 63.151 62.100 -0.375 0.000 1.148 2138 T CB -0.639 67.832 68.868 -0.661 0.000 0.863 2138 T HN 0.446 nan 8.240 nan 0.000 0.436 2139 A N 1.111 123.822 122.820 -0.182 0.000 1.908 2139 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 2139 A C 2.329 179.861 177.584 -0.087 0.000 1.181 2139 A CA 1.361 53.330 52.037 -0.114 0.000 0.627 2139 A CB -0.920 18.026 19.000 -0.091 0.000 0.818 2139 A HN 0.479 nan 8.150 nan 0.000 0.445 2140 L N -0.538 120.637 121.223 -0.080 0.000 2.017 2140 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 2140 L C 2.562 179.397 176.870 -0.059 0.000 1.073 2140 L CA 1.341 56.147 54.840 -0.058 0.000 0.745 2140 L CB -0.577 41.456 42.059 -0.044 0.000 0.894 2140 L HN 0.272 nan 8.230 nan 0.000 0.432 2141 V N -0.385 119.489 119.914 -0.067 0.000 2.407 2141 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 2141 V C 2.458 178.516 176.094 -0.060 0.000 1.055 2141 V CA 1.676 63.941 62.300 -0.058 0.000 1.049 2141 V CB -0.580 31.210 31.823 -0.056 0.000 0.662 2141 V HN 0.465 nan 8.190 nan 0.000 0.455 2142 E N 0.660 120.819 120.200 -0.068 0.000 2.072 2142 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 2142 E C 2.385 178.950 176.600 -0.057 0.000 0.985 2142 E CA 1.409 57.772 56.400 -0.061 0.000 0.801 2142 E CB -0.354 29.307 29.700 -0.066 0.000 0.750 2142 E HN 0.588 nan 8.360 nan 0.000 0.452 2143 A N 1.569 124.354 122.820 -0.059 0.000 1.969 2143 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 2143 A C 2.368 179.913 177.584 -0.064 0.000 1.169 2143 A CA 1.628 53.631 52.037 -0.056 0.000 0.635 2143 A CB -0.349 18.620 19.000 -0.051 0.000 0.810 2143 A HN 0.262 nan 8.150 nan 0.000 0.445 2144 A N -0.355 122.427 122.820 -0.064 0.000 1.874 2144 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 2144 A C 2.155 179.692 177.584 -0.078 0.000 1.189 2144 A CA 1.622 53.616 52.037 -0.072 0.000 0.615 2144 A CB -0.396 18.567 19.000 -0.062 0.000 0.830 2144 A HN 0.398 nan 8.150 nan 0.000 0.443 2145 K N 0.635 120.995 120.400 -0.066 0.000 2.057 2145 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 2145 K C 2.346 178.909 176.600 -0.061 0.000 1.049 2145 K CA 1.883 58.133 56.287 -0.061 0.000 0.931 2145 K CB -0.253 32.217 32.500 -0.049 0.000 0.714 2145 K HN 0.586 nan 8.250 nan 0.000 0.440 2146 S N 0.691 116.355 115.700 -0.060 0.000 2.400 2146 S HA -0.116 4.354 4.470 -0.000 0.000 0.232 2146 S C 1.605 176.163 174.600 -0.070 0.000 1.025 2146 S CA 0.985 59.151 58.200 -0.057 0.000 0.993 2146 S CB -0.420 62.749 63.200 -0.051 0.000 0.808 2146 S HN 0.361 nan 8.310 nan 0.000 0.478 2147 I N 2.033 122.547 120.570 -0.094 0.000 3.862 2147 I HA 0.283 4.453 4.170 -0.000 0.000 0.328 2147 I C 1.316 177.347 176.117 -0.144 0.000 1.474 2147 I CA -0.018 61.202 61.300 -0.133 0.000 1.215 2147 I CB -0.886 37.002 38.000 -0.187 0.000 1.183 2147 I HN 0.435 nan 8.210 nan 0.000 0.413 2148 G N 2.397 111.139 108.800 -0.096 0.000 2.424 2148 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.294 2148 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.294 2148 G C 0.314 175.162 174.900 -0.088 0.000 0.939 2148 G CA 0.468 45.521 45.100 -0.078 0.000 1.143 2148 G HN 0.616 nan 8.290 nan 0.000 0.507 2149 A N -0.199 122.560 122.820 -0.100 0.000 2.282 2149 A HA 0.837 5.157 4.320 -0.000 0.000 0.319 2149 A C 0.696 178.228 177.584 -0.087 0.000 1.121 2149 A CA 0.107 52.090 52.037 -0.091 0.000 0.836 2149 A CB 0.957 19.895 19.000 -0.103 0.000 1.146 2149 A HN 0.699 nan 8.150 nan 0.000 0.494 2150 T N 2.708 117.211 114.554 -0.085 0.000 2.992 2150 T HA 0.355 4.705 4.350 -0.000 0.000 0.299 2150 T C 0.056 174.607 174.700 -0.249 0.000 1.027 2150 T CA 0.286 62.299 62.100 -0.145 0.000 1.001 2150 T CB -0.528 68.281 68.868 -0.098 0.000 1.005 2150 T HN 0.588 nan 8.240 nan 0.000 0.599 2151 T N 4.233 118.632 114.554 -0.258 0.000 2.875 2151 T HA 0.339 4.688 4.350 -0.000 0.000 0.284 2151 T C -0.228 174.259 174.700 -0.355 0.000 0.995 2151 T CA -0.677 61.278 62.100 -0.241 0.000 1.060 2151 T CB 0.674 69.474 68.868 -0.114 0.000 0.967 2151 T HN 0.482 nan 8.240 nan 0.000 0.476 2152 H N 1.243 120.317 119.070 0.007 0.000 2.658 2152 H HA 0.499 5.055 4.556 -0.000 0.000 0.337 2152 H C -0.915 174.418 175.328 0.008 0.000 1.009 2152 H CA -0.439 55.619 56.048 0.016 0.000 1.231 2152 H CB 1.504 31.273 29.762 0.010 0.000 1.508 2152 H HN 0.273 nan 8.280 nan 0.000 0.517 2153 V N 2.453 122.443 119.914 0.127 0.000 2.513 2153 V HA 0.788 4.908 4.120 -0.000 0.000 0.299 2153 V C 0.631 176.765 176.094 0.066 0.000 1.035 2153 V CA -0.156 62.187 62.300 0.072 0.000 0.889 2153 V CB 1.600 33.450 31.823 0.046 0.000 0.988 2153 V HN 1.066 nan 8.190 nan 0.000 0.440 2154 G N 2.790 111.615 108.800 0.041 0.000 2.344 2154 G HA2 0.352 4.312 3.960 -0.000 0.000 0.282 2154 G HA3 0.352 4.312 3.960 -0.000 0.000 0.282 2154 G C -1.357 173.542 174.900 -0.002 0.000 1.281 2154 G CA -0.464 44.650 45.100 0.024 0.000 0.877 2154 G HN 0.537 nan 8.290 nan 0.000 0.494 2155 V N 0.672 120.575 119.914 -0.018 0.000 2.649 2155 V HA 0.608 4.728 4.120 -0.000 0.000 0.292 2155 V C 0.496 176.537 176.094 -0.088 0.000 1.055 2155 V CA 0.150 62.419 62.300 -0.051 0.000 1.023 2155 V CB 1.248 33.036 31.823 -0.057 0.000 0.992 2155 V HN 0.812 nan 8.190 nan 0.000 0.480 2156 T N 3.099 117.586 114.554 -0.111 0.000 2.887 2156 T HA 0.673 5.023 4.350 -0.000 0.000 0.288 2156 T C -0.227 174.346 174.700 -0.211 0.000 1.021 2156 T CA -0.312 61.702 62.100 -0.144 0.000 1.000 2156 T CB 1.731 70.547 68.868 -0.087 0.000 1.034 2156 T HN 0.914 nan 8.240 nan 0.000 0.467 2157 A N 1.888 124.539 122.820 -0.281 0.000 2.253 2157 A HA 0.625 4.945 4.320 -0.000 0.000 0.316 2157 A C 0.298 177.827 177.584 -0.092 0.000 1.327 2157 A CA -0.487 51.349 52.037 -0.334 0.000 0.917 2157 A CB 0.427 19.066 19.000 -0.601 0.000 1.162 2157 A HN 0.622 nan 8.150 nan 0.000 0.535 2158 S N 2.484 118.137 115.700 -0.078 0.000 2.423 2158 S HA 0.462 4.932 4.470 -0.000 0.000 0.317 2158 S C 0.144 174.749 174.600 0.009 0.000 1.065 2158 S CA -0.284 57.906 58.200 -0.018 0.000 1.111 2158 S CB 0.113 63.297 63.200 -0.027 0.000 0.968 2158 S HN 0.863 nan 8.310 nan 0.000 0.474 2159 S N 3.094 118.801 115.700 0.011 0.000 2.578 2159 S HA 0.347 4.817 4.470 -0.000 0.000 0.283 2159 S C 0.553 175.127 174.600 -0.044 0.000 1.195 2159 S CA -0.605 57.575 58.200 -0.033 0.000 1.050 2159 S CB 1.124 64.229 63.200 -0.158 0.000 1.012 2159 S HN 0.752 nan 8.310 nan 0.000 0.511 2160 D N 1.323 121.700 120.400 -0.038 0.000 2.323 2160 D HA 0.123 4.763 4.640 -0.000 0.000 0.209 2160 D C 0.667 176.944 176.300 -0.038 0.000 0.973 2160 D CA 0.749 54.737 54.000 -0.020 0.000 0.874 2160 D CB 0.280 41.087 40.800 0.011 0.000 0.930 2160 D HN 0.697 nan 8.370 nan 0.000 0.521 2161 T N -3.445 111.049 114.554 -0.101 0.000 2.908 2161 T HA 0.289 4.639 4.350 -0.000 0.000 0.290 2161 T C 0.458 175.084 174.700 -0.123 0.000 1.034 2161 T CA -0.866 61.190 62.100 -0.074 0.000 1.010 2161 T CB 1.380 70.187 68.868 -0.101 0.000 1.068 2161 T HN -0.121 nan 8.240 nan 0.000 0.481 2162 F N 0.247 120.063 119.950 -0.224 0.000 2.473 2162 F HA 0.240 4.767 4.527 -0.000 0.000 0.294 2162 F C 0.896 176.351 175.800 -0.576 0.000 1.103 2162 F CA 0.458 58.210 58.000 -0.414 0.000 1.442 2162 F CB -0.052 38.660 39.000 -0.480 0.000 1.097 2162 F HN 0.685 nan 8.300 nan 0.000 0.547 2163 Y N 0.804 121.086 120.300 -0.029 0.000 2.296 2163 Y HA 0.167 4.717 4.550 -0.000 0.000 0.271 2163 Y C -0.400 175.336 175.900 -0.273 0.000 1.102 2163 Y CA 0.520 58.553 58.100 -0.111 0.000 1.147 2163 Y CB -1.940 36.528 38.460 0.014 0.000 1.070 2163 Y HN -0.210 nan 8.280 nan 0.000 0.495 2164 P HA -0.108 nan 4.420 nan 0.000 0.217 2164 P C 1.513 178.495 177.300 -0.531 0.000 1.150 2164 P CA 2.213 65.163 63.100 -0.250 0.000 0.832 2164 P CB -0.188 31.423 31.700 -0.149 0.000 0.787 2165 G N -0.200 108.148 108.800 -0.754 0.000 2.509 2165 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 2165 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 2165 G C 1.282 175.723 174.900 -0.764 0.000 1.124 2165 G CA 0.288 44.643 45.100 -1.242 0.000 0.776 2165 G HN 0.396 nan 8.290 nan 0.000 0.547 2166 Q N -0.535 118.818 119.800 -0.745 0.000 2.165 2166 Q HA 0.216 4.556 4.340 -0.000 0.000 0.245 2166 Q C -0.103 175.589 176.000 -0.513 0.000 0.841 2166 Q CA -0.327 54.808 55.803 -1.113 0.000 1.078 2166 Q CB 0.495 28.433 28.738 -1.332 0.000 1.169 2166 Q HN 0.586 nan 8.270 nan 0.000 0.475 2167 E N 1.763 121.789 120.200 -0.290 0.000 2.165 2167 E HA -0.259 4.091 4.350 -0.000 0.000 0.203 2167 E C -0.888 175.587 176.600 -0.208 0.000 1.335 2167 E CA 0.246 56.531 56.400 -0.193 0.000 0.708 2167 E CB -0.257 29.461 29.700 0.030 0.000 1.105 2167 E HN 0.324 nan 8.360 nan 0.000 0.346 2168 R N 0.353 120.715 120.500 -0.231 0.000 2.254 2168 R HA 0.189 4.529 4.340 -0.000 0.000 0.318 2168 R C 0.208 176.439 176.300 -0.115 0.000 1.031 2168 R CA -0.233 55.828 56.100 -0.064 0.000 0.905 2168 R CB 0.533 30.867 30.300 0.056 0.000 1.050 2168 R HN 0.245 nan 8.270 nan 0.000 0.456 2169 Y N 0.252 120.594 120.300 0.069 0.000 2.507 2169 Y HA -0.039 4.511 4.550 -0.000 0.000 0.263 2169 Y C 0.828 176.757 175.900 0.050 0.000 1.093 2169 Y CA -0.093 58.038 58.100 0.052 0.000 1.285 2169 Y CB 0.476 38.956 38.460 0.034 0.000 1.115 2169 Y HN 0.548 nan 8.280 nan 0.000 0.533 2170 D N 1.904 122.428 120.400 0.207 0.000 2.662 2170 D HA -0.001 4.639 4.640 -0.000 0.000 0.228 2170 D C 0.218 176.576 176.300 0.097 0.000 1.090 2170 D CA 0.471 54.557 54.000 0.143 0.000 1.118 2170 D CB -0.443 40.445 40.800 0.148 0.000 1.129 2170 D HN 0.268 nan 8.370 nan 0.000 0.472 2171 T N -3.274 111.310 114.554 0.050 0.000 2.716 2171 T HA 0.196 4.546 4.350 -0.000 0.000 0.286 2171 T C 0.797 175.499 174.700 0.004 0.000 1.052 2171 T CA -0.968 61.115 62.100 -0.028 0.000 1.024 2171 T CB 0.964 69.783 68.868 -0.082 0.000 1.349 2171 T HN 0.119 nan 8.240 nan 0.000 0.525 2172 Y N 1.524 121.760 120.300 -0.107 0.000 2.097 2172 Y HA -0.136 4.414 4.550 -0.000 0.000 0.282 2172 Y C 2.827 178.707 175.900 -0.034 0.000 1.152 2172 Y CA 2.864 60.922 58.100 -0.069 0.000 1.136 2172 Y CB -0.424 37.985 38.460 -0.085 0.000 0.975 2172 Y HN 0.738 nan 8.280 nan 0.000 0.498 2173 S N -0.823 114.811 115.700 -0.110 0.000 2.414 2173 S HA 0.081 4.551 4.470 -0.000 0.000 0.227 2173 S C 1.918 176.464 174.600 -0.090 0.000 1.022 2173 S CA 0.767 58.869 58.200 -0.163 0.000 0.958 2173 S CB -0.759 62.446 63.200 0.008 0.000 0.797 2173 S HN 1.056 nan 8.310 nan 0.000 0.493 2174 G N 2.121 110.911 108.800 -0.016 0.000 2.166 2174 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 2174 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 2174 G C 0.051 175.054 174.900 0.170 0.000 0.986 2174 G CA 0.559 45.702 45.100 0.071 0.000 0.683 2174 G HN 1.037 nan 8.290 nan 0.000 0.527 2175 R N -1.409 119.152 120.500 0.101 0.000 2.854 2175 R HA 0.821 5.161 4.340 -0.000 0.000 0.271 2175 R C -1.151 175.160 176.300 0.018 0.000 0.996 2175 R CA -0.961 55.220 56.100 0.134 0.000 0.961 2175 R CB 2.162 32.512 30.300 0.082 0.000 1.182 2175 R HN 0.260 nan 8.270 nan 0.000 0.479 2176 V N 2.313 122.243 119.914 0.027 0.000 2.531 2176 V HA 0.229 4.349 4.120 -0.000 0.000 0.301 2176 V C -0.046 176.089 176.094 0.068 0.000 1.034 2176 V CA -1.061 61.198 62.300 -0.068 0.000 0.865 2176 V CB 1.741 33.376 31.823 -0.313 0.000 0.995 2176 V HN 0.683 nan 8.190 nan 0.000 0.424 2177 V N 5.850 125.825 119.914 0.100 0.000 2.814 2177 V HA 0.020 4.140 4.120 -0.000 0.000 0.307 2177 V C 1.877 178.038 176.094 0.111 0.000 1.089 2177 V CA 0.869 63.241 62.300 0.120 0.000 1.212 2177 V CB 0.819 32.740 31.823 0.164 0.000 0.912 2177 V HN 0.972 nan 8.190 nan 0.000 0.497 2178 R N 4.101 124.641 120.500 0.065 0.000 2.159 2178 R HA -0.260 4.080 4.340 -0.000 0.000 0.249 2178 R C 2.342 178.633 176.300 -0.015 0.000 1.136 2178 R CA 2.793 58.911 56.100 0.031 0.000 0.951 2178 R CB -0.419 29.889 30.300 0.013 0.000 0.876 2178 R HN 0.848 nan 8.270 nan 0.000 0.440 2179 R N -0.685 119.773 120.500 -0.071 0.000 2.117 2179 R HA -0.173 4.166 4.340 -0.000 0.000 0.243 2179 R C 1.416 177.496 176.300 -0.366 0.000 1.143 2179 R CA 2.065 58.016 56.100 -0.250 0.000 0.968 2179 R CB -0.253 29.822 30.300 -0.375 0.000 0.863 2179 R HN 0.339 nan 8.270 nan 0.000 0.444 2180 F N 0.419 120.381 119.950 0.021 0.000 2.727 2180 F HA 0.254 4.781 4.527 -0.000 0.000 0.302 2180 F C 0.500 176.296 175.800 -0.007 0.000 1.097 2180 F CA -0.262 57.748 58.000 0.017 0.000 1.330 2180 F CB 0.365 39.375 39.000 0.018 0.000 1.084 2180 F HN -0.203 nan 8.300 nan 0.000 0.578 2181 K N 0.640 121.115 120.400 0.124 0.000 2.402 2181 K HA 0.311 4.631 4.320 -0.000 0.000 0.285 2181 K C 1.072 177.719 176.600 0.079 0.000 1.054 2181 K CA 0.827 57.194 56.287 0.134 0.000 1.001 2181 K CB 0.011 32.583 32.500 0.121 0.000 0.946 2181 K HN 0.337 nan 8.250 nan 0.000 0.473 2182 G N 2.376 111.243 108.800 0.112 0.000 2.148 2182 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 2182 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 2182 G C 0.716 175.581 174.900 -0.058 0.000 0.981 2182 G CA 0.710 45.834 45.100 0.039 0.000 0.670 2182 G HN 0.702 nan 8.290 nan 0.000 0.528 2183 S N -1.019 114.643 115.700 -0.062 0.000 2.481 2183 S HA 0.158 4.628 4.470 -0.000 0.000 0.231 2183 S C 2.132 176.503 174.600 -0.381 0.000 0.996 2183 S CA 1.398 59.417 58.200 -0.303 0.000 0.942 2183 S CB -0.100 63.041 63.200 -0.097 0.000 0.768 2183 S HN 0.548 nan 8.310 nan 0.000 0.520 2184 M N 1.191 120.786 119.600 -0.008 0.000 2.156 2184 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 2184 M C 2.452 178.764 176.300 0.020 0.000 1.067 2184 M CA 1.444 56.821 55.300 0.128 0.000 1.131 2184 M CB -0.109 32.634 32.600 0.238 0.000 1.368 2184 M HN 0.201 nan 8.290 nan 0.000 0.416 2185 E N 0.774 120.962 120.200 -0.019 0.000 2.085 2185 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 2185 E C 1.652 178.210 176.600 -0.069 0.000 0.994 2185 E CA 1.537 57.922 56.400 -0.023 0.000 0.801 2185 E CB -0.187 29.497 29.700 -0.027 0.000 0.743 2185 E HN 0.577 nan 8.360 nan 0.000 0.453 2186 E N -0.539 119.543 120.200 -0.198 0.000 2.012 2186 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 2186 E C 2.178 178.715 176.600 -0.105 0.000 1.007 2186 E CA 1.596 57.832 56.400 -0.273 0.000 0.816 2186 E CB -0.434 28.908 29.700 -0.597 0.000 0.762 2186 E HN 0.441 nan 8.360 nan 0.000 0.451 2187 W N 1.142 122.447 121.300 0.008 0.000 2.338 2187 W HA -0.219 4.441 4.660 0.000 0.000 0.304 2187 W C 2.582 179.071 176.519 -0.050 0.000 1.212 2187 W CA 0.308 57.632 57.345 -0.035 0.000 1.264 2187 W CB -0.237 29.166 29.460 -0.095 0.000 1.142 2187 W HN 0.197 nan 8.180 nan 0.000 0.512 2188 Q N 0.435 120.332 119.800 0.162 0.000 2.030 2188 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 2188 Q C 2.545 178.589 176.000 0.073 0.000 0.986 2188 Q CA 1.843 57.697 55.803 0.085 0.000 0.843 2188 Q CB -0.736 28.035 28.738 0.056 0.000 0.904 2188 Q HN 0.337 nan 8.270 nan 0.000 0.420 2189 A N 0.875 123.728 122.820 0.055 0.000 1.940 2189 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 2189 A C 1.928 179.545 177.584 0.056 0.000 1.176 2189 A CA 1.478 53.538 52.037 0.039 0.000 0.631 2189 A CB -0.491 18.517 19.000 0.013 0.000 0.814 2189 A HN 0.333 nan 8.150 nan 0.000 0.446 2190 M N -1.210 118.448 119.600 0.097 0.000 2.618 2190 M HA 0.169 4.649 4.480 -0.000 0.000 0.240 2190 M C 1.401 177.754 176.300 0.088 0.000 1.123 2190 M CA 0.747 56.112 55.300 0.110 0.000 1.060 2190 M CB 0.051 32.766 32.600 0.192 0.000 1.535 2190 M HN 0.632 nan 8.290 nan 0.000 0.507 2191 G N 0.372 109.218 108.800 0.077 0.000 2.176 2191 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.253 2191 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.253 2191 G C 0.180 175.101 174.900 0.034 0.000 0.979 2191 G CA -0.083 45.050 45.100 0.056 0.000 0.641 2191 G HN 0.321 nan 8.290 nan 0.000 0.530 2192 V N 1.976 121.910 119.914 0.034 0.000 2.625 2192 V HA 0.010 4.130 4.120 -0.000 0.000 0.305 2192 V C 1.961 178.004 176.094 -0.085 0.000 1.055 2192 V CA 1.565 63.835 62.300 -0.050 0.000 1.209 2192 V CB 0.829 32.599 31.823 -0.089 0.000 0.877 2192 V HN 0.437 nan 8.190 nan 0.000 0.489 2193 M N 3.206 122.741 119.600 -0.109 0.000 2.236 2193 M HA 0.054 4.534 4.480 -0.000 0.000 0.266 2193 M C 0.849 177.048 176.300 -0.167 0.000 1.070 2193 M CA 1.245 56.468 55.300 -0.128 0.000 1.137 2193 M CB -0.035 32.507 32.600 -0.097 0.000 1.378 2193 M HN 1.007 nan 8.290 nan 0.000 0.426 2194 N N -2.084 116.494 118.700 -0.203 0.000 3.339 2194 N HA 0.110 4.850 4.740 -0.000 0.000 0.275 2194 N C -1.946 173.399 175.510 -0.276 0.000 1.514 2194 N CA -0.673 52.250 53.050 -0.212 0.000 0.879 2194 N CB 1.108 39.535 38.487 -0.101 0.000 1.557 2194 N HN -0.106 nan 8.380 nan 0.000 0.524 2195 Y N -0.022 120.220 120.300 -0.096 0.000 2.341 2195 Y HA 0.459 5.009 4.550 -0.000 0.000 0.338 2195 Y C 0.050 175.880 175.900 -0.117 0.000 0.965 2195 Y CA -0.316 57.709 58.100 -0.126 0.000 1.108 2195 Y CB 1.483 39.846 38.460 -0.162 0.000 1.180 2195 Y HN 0.733 nan 8.280 nan 0.000 0.458 2196 E N 0.555 120.797 120.200 0.071 0.000 2.459 2196 E HA 0.601 4.950 4.350 -0.000 0.000 0.275 2196 E C -1.030 175.579 176.600 0.014 0.000 0.987 2196 E CA -0.801 55.614 56.400 0.025 0.000 0.828 2196 E CB 1.426 31.132 29.700 0.010 0.000 1.428 2196 E HN 0.483 nan 8.360 nan 0.000 0.457 2197 M N -0.159 119.448 119.600 0.011 0.000 2.414 2197 M HA 0.320 4.800 4.480 -0.000 0.000 0.357 2197 M C -0.370 175.930 176.300 0.000 0.000 1.059 2197 M CA 0.169 55.471 55.300 0.004 0.000 0.959 2197 M CB 0.647 33.255 32.600 0.013 0.000 1.522 2197 M HN 0.538 nan 8.290 nan 0.000 0.551 2198 E N -1.256 118.942 120.200 -0.003 0.000 2.633 2198 E HA 0.076 4.426 4.350 -0.000 0.000 0.222 2198 E C 1.656 178.242 176.600 -0.025 0.000 0.899 2198 E CA 0.407 56.799 56.400 -0.012 0.000 1.292 2198 E CB 0.317 30.013 29.700 -0.006 0.000 1.257 2198 E HN 0.288 nan 8.360 nan 0.000 0.626 2199 S N 0.952 116.639 115.700 -0.020 0.000 2.356 2199 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 2199 S C 2.282 176.863 174.600 -0.031 0.000 1.032 2199 S CA 0.971 59.156 58.200 -0.025 0.000 1.005 2199 S CB -0.439 62.749 63.200 -0.020 0.000 0.867 2199 S HN 0.238 nan 8.310 nan 0.000 0.449 2200 A N 1.821 124.627 122.820 -0.025 0.000 1.917 2200 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 2200 A C 2.435 180.007 177.584 -0.021 0.000 1.182 2200 A CA 2.375 54.404 52.037 -0.014 0.000 0.633 2200 A CB -1.720 17.278 19.000 -0.004 0.000 0.819 2200 A HN 0.593 nan 8.150 nan 0.000 0.448 2201 T N -0.431 114.100 114.554 -0.038 0.000 2.812 2201 T HA -0.044 4.306 4.350 -0.000 0.000 0.264 2201 T C 1.846 176.440 174.700 -0.177 0.000 1.042 2201 T CA 1.275 63.331 62.100 -0.074 0.000 1.140 2201 T CB -0.312 68.526 68.868 -0.050 0.000 0.870 2201 T HN 0.341 nan 8.240 nan 0.000 0.445 2202 L N 1.024 122.157 121.223 -0.150 0.000 1.994 2202 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 2202 L C 2.022 178.786 176.870 -0.178 0.000 1.071 2202 L CA 1.662 56.384 54.840 -0.198 0.000 0.745 2202 L CB -0.814 41.171 42.059 -0.125 0.000 0.892 2202 L HN 0.089 nan 8.230 nan 0.000 0.431 2203 L N -0.522 120.647 121.223 -0.090 0.000 2.017 2203 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 2203 L C 2.518 179.372 176.870 -0.026 0.000 1.073 2203 L CA 2.276 57.095 54.840 -0.035 0.000 0.745 2203 L CB -1.667 40.395 42.059 0.005 0.000 0.894 2203 L HN 0.326 nan 8.230 nan 0.000 0.432 2204 T N -0.091 114.440 114.554 -0.039 0.000 2.708 2204 T HA -0.230 4.120 4.350 -0.000 0.000 0.266 2204 T C 1.819 176.398 174.700 -0.201 0.000 1.037 2204 T CA 1.839 63.926 62.100 -0.022 0.000 1.146 2204 T CB -0.273 68.606 68.868 0.017 0.000 0.865 2204 T HN 0.484 nan 8.240 nan 0.000 0.435 2205 M N 0.147 119.493 119.600 -0.422 0.000 2.229 2205 M HA -0.004 4.476 4.480 -0.000 0.000 0.264 2205 M C 2.197 178.236 176.300 -0.435 0.000 1.063 2205 M CA 1.476 56.306 55.300 -0.784 0.000 1.114 2205 M CB -0.939 30.697 32.600 -1.608 0.000 1.387 2205 M HN 0.178 nan 8.290 nan 0.000 0.420 2206 C N 1.368 120.494 119.300 -0.289 0.000 2.518 2206 C HA 0.195 4.654 4.460 -0.000 0.000 0.279 2206 C C 3.249 178.218 174.990 -0.035 0.000 1.279 2206 C CA 0.940 59.873 59.018 -0.141 0.000 1.703 2206 C CB -1.131 26.559 27.740 -0.084 0.000 2.072 2206 C HN 0.760 nan 8.230 nan 0.000 0.487 2207 A N 1.035 123.865 122.820 0.017 0.000 2.076 2207 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 2207 A C 2.078 179.757 177.584 0.158 0.000 1.160 2207 A CA 2.169 54.293 52.037 0.144 0.000 0.653 2207 A CB -0.554 18.610 19.000 0.274 0.000 0.801 2207 A HN 0.736 nan 8.150 nan 0.000 0.455 2208 S N -2.557 113.104 115.700 -0.066 0.000 2.557 2208 S HA 0.265 4.735 4.470 -0.000 0.000 0.223 2208 S C 0.910 175.461 174.600 -0.082 0.000 0.969 2208 S CA 0.185 58.255 58.200 -0.216 0.000 0.927 2208 S CB 0.253 63.079 63.200 -0.624 0.000 0.806 2208 S HN 0.587 nan 8.310 nan 0.000 0.489 2209 Q N 0.175 119.956 119.800 -0.031 0.000 2.093 2209 Q HA 0.353 4.693 4.340 -0.000 0.000 0.217 2209 Q C 0.695 176.714 176.000 0.032 0.000 0.785 2209 Q CA 0.231 56.035 55.803 0.002 0.000 1.038 2209 Q CB 1.038 29.769 28.738 -0.012 0.000 1.190 2209 Q HN 0.684 nan 8.270 nan 0.000 0.468 2210 G N 1.197 110.025 108.800 0.047 0.000 2.147 2210 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.244 2210 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.244 2210 G C -0.205 174.738 174.900 0.071 0.000 1.005 2210 G CA 0.114 45.249 45.100 0.060 0.000 0.713 2210 G HN 0.248 nan 8.290 nan 0.000 0.515 2211 L N -0.093 121.177 121.223 0.079 0.000 2.329 2211 L HA 0.640 4.980 4.340 -0.000 0.000 0.279 2211 L C 0.880 177.826 176.870 0.127 0.000 1.014 2211 L CA -1.125 53.792 54.840 0.128 0.000 0.814 2211 L CB 1.449 43.614 42.059 0.176 0.000 1.257 2211 L HN 0.058 nan 8.230 nan 0.000 0.424 2212 R N 2.009 122.590 120.500 0.135 0.000 2.349 2212 R HA 0.782 5.122 4.340 -0.000 0.000 0.299 2212 R C -0.594 175.798 176.300 0.153 0.000 1.027 2212 R CA -0.448 55.720 56.100 0.112 0.000 0.958 2212 R CB 1.541 31.884 30.300 0.072 0.000 1.047 2212 R HN 0.728 nan 8.270 nan 0.000 0.468 2213 A N 1.212 124.102 122.820 0.117 0.000 2.515 2213 A HA 0.866 5.186 4.320 -0.000 0.000 0.296 2213 A C -0.825 176.801 177.584 0.071 0.000 1.094 2213 A CA -0.611 51.498 52.037 0.120 0.000 0.718 2213 A CB 2.348 21.399 19.000 0.085 0.000 1.307 2213 A HN 0.763 nan 8.150 nan 0.000 0.408 2214 G N -0.356 108.481 108.800 0.062 0.000 2.692 2214 G HA2 0.640 4.600 3.960 -0.000 0.000 0.291 2214 G HA3 0.640 4.600 3.960 -0.000 0.000 0.291 2214 G C -1.388 173.530 174.900 0.029 0.000 1.423 2214 G CA -0.369 44.751 45.100 0.032 0.000 0.843 2214 G HN 1.042 nan 8.290 nan 0.000 0.486 2215 M N 1.701 121.310 119.600 0.015 0.000 2.255 2215 M HA 0.563 5.043 4.480 -0.000 0.000 0.275 2215 M C -1.824 174.480 176.300 0.007 0.000 1.050 2215 M CA -0.767 54.541 55.300 0.013 0.000 0.978 2215 M CB 1.989 34.596 32.600 0.010 0.000 1.761 2215 M HN 0.630 nan 8.290 nan 0.000 0.479 2216 V N 4.253 124.171 119.914 0.007 0.000 2.919 2216 V HA 1.053 5.173 4.120 -0.000 0.000 0.316 2216 V C -1.361 174.739 176.094 0.010 0.000 1.077 2216 V CA -0.032 62.272 62.300 0.005 0.000 0.977 2216 V CB 1.976 33.799 31.823 -0.000 0.000 1.039 2216 V HN 1.028 nan 8.190 nan 0.000 0.441 2217 A N 3.503 126.331 122.820 0.013 0.000 2.512 2217 A HA 0.741 5.061 4.320 -0.000 0.000 0.294 2217 A C -0.289 177.309 177.584 0.022 0.000 1.054 2217 A CA -0.020 52.026 52.037 0.016 0.000 0.756 2217 A CB 1.045 20.053 19.000 0.013 0.000 1.293 2217 A HN 1.633 nan 8.150 nan 0.000 0.395 2218 G N 0.352 109.167 108.800 0.025 0.000 2.444 2218 G HA2 0.515 4.475 3.960 -0.000 0.000 0.268 2218 G HA3 0.515 4.475 3.960 -0.000 0.000 0.268 2218 G C -0.299 174.617 174.900 0.026 0.000 1.203 2218 G CA -0.300 44.818 45.100 0.031 0.000 0.835 2218 G HN 1.097 nan 8.290 nan 0.000 0.543 2219 V N 3.965 123.897 119.914 0.029 0.000 2.389 2219 V HA 0.103 4.223 4.120 -0.000 0.000 0.264 2219 V C 1.439 177.543 176.094 0.017 0.000 1.049 2219 V CA -0.196 62.117 62.300 0.021 0.000 0.932 2219 V CB 0.477 32.313 31.823 0.022 0.000 1.011 2219 V HN 0.738 nan 8.190 nan 0.000 0.475 2220 I N 4.669 125.249 120.570 0.015 0.000 2.296 2220 I HA 0.154 4.324 4.170 -0.000 0.000 0.242 2220 I C 0.816 176.941 176.117 0.014 0.000 1.087 2220 I CA 0.909 62.218 61.300 0.014 0.000 1.393 2220 I CB -0.053 37.958 38.000 0.019 0.000 1.093 2220 I HN 0.459 nan 8.210 nan 0.000 0.421 2221 V N -0.944 118.980 119.914 0.016 0.000 3.158 2221 V HA 0.580 4.700 4.120 -0.000 0.000 0.315 2221 V C -0.983 175.114 176.094 0.006 0.000 1.148 2221 V CA -0.753 61.556 62.300 0.015 0.000 1.042 2221 V CB 1.731 33.569 31.823 0.025 0.000 1.101 2221 V HN 0.457 nan 8.190 nan 0.000 0.448 2222 N N 0.894 119.597 118.700 0.006 0.000 2.549 2222 N HA 0.350 5.090 4.740 -0.000 0.000 0.281 2222 N C 0.498 176.013 175.510 0.008 0.000 1.084 2222 N CA -0.596 52.452 53.050 -0.004 0.000 0.862 2222 N CB 1.956 40.434 38.487 -0.015 0.000 1.333 2222 N HN 0.699 nan 8.380 nan 0.000 0.523 2223 R N 0.800 121.310 120.500 0.016 0.000 2.371 2223 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 2223 R C 1.109 177.430 176.300 0.035 0.000 1.132 2223 R CA 1.372 57.492 56.100 0.034 0.000 1.027 2223 R CB -0.506 29.832 30.300 0.064 0.000 0.848 2223 R HN 0.698 nan 8.270 nan 0.000 0.479 2224 T N -4.634 109.932 114.554 0.020 0.000 2.975 2224 T HA 0.181 4.531 4.350 -0.000 0.000 0.257 2224 T C 0.798 175.510 174.700 0.019 0.000 1.003 2224 T CA -0.336 61.778 62.100 0.022 0.000 0.932 2224 T CB 0.667 69.545 68.868 0.018 0.000 1.087 2224 T HN 0.051 nan 8.240 nan 0.000 0.512 2225 Q N 0.635 120.443 119.800 0.014 0.000 2.169 2225 Q HA 0.515 4.855 4.340 -0.000 0.000 0.234 2225 Q C 0.883 176.894 176.000 0.018 0.000 0.980 2225 Q CA -0.565 55.247 55.803 0.015 0.000 0.941 2225 Q CB 1.470 30.214 28.738 0.011 0.000 1.199 2225 Q HN 0.227 nan 8.270 nan 0.000 0.496 2226 Q N 0.032 119.842 119.800 0.018 0.000 2.442 2226 Q HA 0.078 4.418 4.340 -0.000 0.000 0.228 2226 Q C -0.364 175.647 176.000 0.017 0.000 0.902 2226 Q CA 0.270 56.084 55.803 0.018 0.000 0.933 2226 Q CB 0.704 29.453 28.738 0.017 0.000 1.071 2226 Q HN 0.529 nan 8.270 nan 0.000 0.562 2227 E N 0.538 120.747 120.200 0.016 0.000 2.436 2227 E HA 0.096 4.446 4.350 -0.000 0.000 0.262 2227 E C -0.703 175.906 176.600 0.015 0.000 1.063 2227 E CA 0.017 56.426 56.400 0.014 0.000 0.944 2227 E CB 0.518 30.226 29.700 0.013 0.000 0.950 2227 E HN 0.290 nan 8.360 nan 0.000 0.444 2228 I N 0.602 121.181 120.570 0.014 0.000 2.493 2228 I HA 0.343 4.513 4.170 -0.000 0.000 0.298 2228 I C -2.391 173.733 176.117 0.011 0.000 0.998 2228 I CA -3.086 58.222 61.300 0.014 0.000 1.137 2228 I CB 0.173 38.182 38.000 0.015 0.000 1.310 2228 I HN 0.234 nan 8.210 nan 0.000 0.445 2229 P HA -0.039 nan 4.420 nan 0.000 0.260 2229 P C 0.549 177.851 177.300 0.003 0.000 1.147 2229 P CA 0.426 63.530 63.100 0.006 0.000 0.758 2229 P CB 0.192 31.895 31.700 0.005 0.000 0.744 2230 N N 3.259 121.959 118.700 0.000 0.000 2.067 2230 N HA -0.320 4.420 4.740 -0.000 0.000 0.181 2230 N C 0.808 176.317 175.510 -0.002 0.000 0.943 2230 N CA 1.363 54.413 53.050 -0.001 0.000 0.885 2230 N CB -0.561 37.923 38.487 -0.005 0.000 1.036 2230 N HN 0.418 nan 8.380 nan 0.000 0.799 2231 A N 0.277 123.093 122.820 -0.006 0.000 2.674 2231 A HA 0.322 4.642 4.320 -0.000 0.000 0.274 2231 A C -0.359 177.219 177.584 -0.010 0.000 1.065 2231 A CA -0.232 51.801 52.037 -0.007 0.000 0.978 2231 A CB 0.288 19.284 19.000 -0.007 0.000 1.242 2231 A HN 0.727 nan 8.150 nan 0.000 0.583 2232 E N -3.321 116.872 120.200 -0.012 0.000 2.435 2232 E HA 0.672 5.022 4.350 -0.000 0.000 0.277 2232 E C -0.167 176.425 176.600 -0.014 0.000 1.106 2232 E CA -0.058 56.333 56.400 -0.015 0.000 0.868 2232 E CB 0.311 29.997 29.700 -0.024 0.000 1.454 2232 E HN -0.131 nan 8.360 nan 0.000 0.452 2233 T N -1.016 113.529 114.554 -0.015 0.000 3.451 2233 T HA 0.164 4.514 4.350 -0.000 0.000 0.201 2233 T C 1.469 176.158 174.700 -0.017 0.000 0.965 2233 T CA 0.448 62.541 62.100 -0.011 0.000 1.088 2233 T CB -0.378 68.488 68.868 -0.002 0.000 1.251 2233 T HN 0.439 nan 8.240 nan 0.000 0.325 2234 M N 1.549 121.139 119.600 -0.016 0.000 2.286 2234 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 2234 M C 1.955 178.234 176.300 -0.036 0.000 1.071 2234 M CA 1.775 57.063 55.300 -0.020 0.000 1.091 2234 M CB -0.665 31.924 32.600 -0.018 0.000 1.260 2234 M HN 0.059 nan 8.290 nan 0.000 0.442 2235 K N 0.435 120.811 120.400 -0.040 0.000 2.203 2235 K HA -0.336 3.984 4.320 -0.000 0.000 0.206 2235 K C 1.750 178.298 176.600 -0.086 0.000 0.722 2235 K CA 2.566 58.821 56.287 -0.054 0.000 1.026 2235 K CB -1.294 31.176 32.500 -0.049 0.000 0.713 2235 K HN 0.295 nan 8.250 nan 0.000 0.773 2236 Q N -0.332 119.400 119.800 -0.114 0.000 1.975 2236 Q HA -0.135 4.205 4.340 -0.000 0.000 0.205 2236 Q C 2.296 178.126 176.000 -0.283 0.000 0.990 2236 Q CA 2.902 58.577 55.803 -0.213 0.000 0.845 2236 Q CB -0.743 27.880 28.738 -0.192 0.000 0.913 2236 Q HN 0.727 nan 8.270 nan 0.000 0.420 2237 T N -1.702 112.756 114.554 -0.159 0.000 2.708 2237 T HA -0.234 4.116 4.350 -0.000 0.000 0.266 2237 T C 1.688 176.377 174.700 -0.018 0.000 1.037 2237 T CA 1.531 63.593 62.100 -0.065 0.000 1.146 2237 T CB -0.578 68.286 68.868 -0.007 0.000 0.865 2237 T HN 0.409 nan 8.240 nan 0.000 0.435 2238 E N 2.481 122.662 120.200 -0.032 0.000 2.086 2238 E HA -0.247 4.103 4.350 -0.000 0.000 0.205 2238 E C 2.250 178.846 176.600 -0.007 0.000 1.027 2238 E CA 2.540 58.931 56.400 -0.016 0.000 0.830 2238 E CB -0.763 28.920 29.700 -0.027 0.000 0.751 2238 E HN 0.778 nan 8.360 nan 0.000 0.456 2239 S N -1.541 114.142 115.700 -0.029 0.000 2.453 2239 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 2239 S C 1.890 176.542 174.600 0.086 0.000 1.005 2239 S CA 0.967 59.165 58.200 -0.003 0.000 0.949 2239 S CB -0.549 62.632 63.200 -0.032 0.000 0.774 2239 S HN 0.470 nan 8.310 nan 0.000 0.510 2240 H N 1.155 120.213 119.070 -0.019 0.000 2.333 2240 H HA 0.180 4.736 4.556 -0.000 0.000 0.302 2240 H C 2.616 177.933 175.328 -0.019 0.000 1.075 2240 H CA 0.771 56.808 56.048 -0.019 0.000 1.348 2240 H CB -0.161 29.591 29.762 -0.017 0.000 1.393 2240 H HN 0.574 nan 8.280 nan 0.000 0.509 2241 A N 0.590 123.482 122.820 0.119 0.000 2.019 2241 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 2241 A C 2.518 180.118 177.584 0.027 0.000 1.164 2241 A CA 1.238 53.305 52.037 0.050 0.000 0.644 2241 A CB -0.659 18.364 19.000 0.037 0.000 0.805 2241 A HN 0.206 nan 8.150 nan 0.000 0.449 2242 V N 0.059 119.990 119.914 0.029 0.000 2.358 2242 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 2242 V C 2.515 178.612 176.094 0.005 0.000 1.047 2242 V CA 2.313 64.618 62.300 0.008 0.000 1.035 2242 V CB -0.567 31.254 31.823 -0.003 0.000 0.658 2242 V HN 0.725 nan 8.190 nan 0.000 0.452 2243 K N 0.133 120.544 120.400 0.019 0.000 2.097 2243 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 2243 K C 2.074 178.664 176.600 -0.016 0.000 1.050 2243 K CA 1.497 57.786 56.287 0.004 0.000 0.938 2243 K CB -0.203 32.308 32.500 0.018 0.000 0.718 2243 K HN 0.419 nan 8.250 nan 0.000 0.442 2244 I N 0.482 121.041 120.570 -0.018 0.000 2.179 2244 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 2244 I C 2.344 178.445 176.117 -0.026 0.000 1.088 2244 I CA 0.993 62.274 61.300 -0.032 0.000 1.357 2244 I CB -0.288 37.693 38.000 -0.032 0.000 1.051 2244 I HN 0.093 nan 8.210 nan 0.000 0.409 2245 V N 0.374 120.279 119.914 -0.015 0.000 2.427 2245 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 2245 V C 2.370 178.454 176.094 -0.017 0.000 1.051 2245 V CA 1.473 63.765 62.300 -0.013 0.000 1.048 2245 V CB 0.211 32.031 31.823 -0.004 0.000 0.666 2245 V HN 0.190 nan 8.190 nan 0.000 0.456 2246 V N 0.245 120.149 119.914 -0.016 0.000 2.295 2246 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 2246 V C 2.578 178.659 176.094 -0.021 0.000 1.049 2246 V CA 2.357 64.646 62.300 -0.017 0.000 1.024 2246 V CB -0.694 31.119 31.823 -0.017 0.000 0.648 2246 V HN 0.693 nan 8.190 nan 0.000 0.447 2247 E N 0.930 121.115 120.200 -0.025 0.000 2.085 2247 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 2247 E C 2.103 178.684 176.600 -0.032 0.000 0.994 2247 E CA 1.942 58.325 56.400 -0.029 0.000 0.801 2247 E CB -0.598 29.081 29.700 -0.036 0.000 0.743 2247 E HN 0.502 nan 8.360 nan 0.000 0.453 2248 A N 0.935 123.735 122.820 -0.034 0.000 1.883 2248 A HA -0.093 4.226 4.320 -0.000 0.000 0.217 2248 A C 2.507 180.070 177.584 -0.035 0.000 1.186 2248 A CA 2.469 54.483 52.037 -0.038 0.000 0.624 2248 A CB -1.213 17.765 19.000 -0.037 0.000 0.822 2248 A HN 0.418 nan 8.150 nan 0.000 0.444 2249 A N -0.259 122.543 122.820 -0.029 0.000 1.948 2249 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 2249 A C 2.205 179.771 177.584 -0.029 0.000 1.177 2249 A CA 1.829 53.848 52.037 -0.030 0.000 0.636 2249 A CB -0.527 18.458 19.000 -0.025 0.000 0.815 2249 A HN 0.581 nan 8.150 nan 0.000 0.449 2250 R N -0.630 119.854 120.500 -0.026 0.000 2.091 2250 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 2250 R C 1.749 178.033 176.300 -0.026 0.000 1.136 2250 R CA 1.771 57.856 56.100 -0.024 0.000 0.959 2250 R CB -0.248 30.038 30.300 -0.022 0.000 0.856 2250 R HN 0.544 nan 8.270 nan 0.000 0.437 2251 R N 0.197 120.678 120.500 -0.031 0.000 2.325 2251 R HA 0.096 4.435 4.340 -0.000 0.000 0.214 2251 R C 1.016 177.296 176.300 -0.034 0.000 0.961 2251 R CA 0.382 56.462 56.100 -0.033 0.000 1.086 2251 R CB 0.219 30.495 30.300 -0.041 0.000 1.037 2251 R HN 0.213 nan 8.270 nan 0.000 0.493 2252 L N -0.491 120.713 121.223 -0.032 0.000 2.878 2252 L HA 0.264 4.604 4.340 -0.000 0.000 0.253 2252 L C 0.380 177.233 176.870 -0.029 0.000 1.135 2252 L CA -0.178 54.643 54.840 -0.032 0.000 0.943 2252 L CB 0.260 42.297 42.059 -0.037 0.000 1.307 2252 L HN 0.069 nan 8.230 nan 0.000 0.545 2253 L N 0.000 121.207 121.223 -0.027 0.000 2.949 2253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 2253 L CA 0.000 54.825 54.840 -0.026 0.000 0.813 2253 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 2253 L HN 0.000 nan 8.230 nan 0.000 0.502