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 2hp2_1_B DATA FIRST_RESID 2007 DATA SEQUENCE FKTIKSDEIF AAAQKLMPGG VSSPVRAFKS VGGQPIVFDR VKDAYAWDVD DATA SEQUENCE GNRYIDYVGT WGPAICGHAH PEVIEALKVA MEKGTSFGAP CALENVLAEM DATA SEQUENCE VNDAVPSIEM VRFVNSGTEA CMAVLRIMRA YTGRDKIIKF EGCYHGHADM DATA SEQUENCE FLVKAGSGVA TLGLPSSPGV PKKTTANTLT TPYNDLEAVK ALFAENPGEI DATA SEQUENCE AGVILEPIVG NSGFIVPDAG FLEGLREITL EHDALLVFDE VMTGFRIAYG DATA SEQUENCE GVQEKFGVTP DLTTLGKIIG GGLPVGAYGG KREIMQLVAP AGPMYQAGTL DATA SEQUENCE SGNPLAMTAG IKTLELLRQP GTYEYLDQIT KRLSDGLLAI AQETGHAACG DATA SEQUENCE GQVSGMFGFF FTEGPVHNYE DAKKSDLQKF SRFHRGMLEQ GIYLAPSQFE DATA SEQUENCE AGFTSLAHTE EDIDATLAAA RTVMSAL 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 2007 F HA 0.000 nan 4.527 nan 0.000 0.279 2007 F C 0.000 175.802 175.800 0.004 0.000 0.967 2007 F CA 0.000 57.990 58.000 -0.017 0.000 1.383 2007 F CB 0.000 38.991 39.000 -0.015 0.000 1.145 2008 K N 1.572 121.634 120.400 -0.564 0.000 2.435 2008 K HA 0.861 5.172 4.320 -0.015 0.000 0.251 2008 K C -0.729 175.536 176.600 -0.559 0.000 0.954 2008 K CA -0.214 55.808 56.287 -0.442 0.000 0.820 2008 K CB 2.028 34.413 32.500 -0.192 0.000 1.292 2008 K HN 0.402 nan 8.250 nan 0.000 0.436 2009 T N -1.003 113.348 114.554 -0.337 0.000 3.516 2009 T HA 0.220 4.561 4.350 -0.015 0.000 0.300 2009 T C 0.881 175.525 174.700 -0.093 0.000 0.995 2009 T CA -0.525 61.443 62.100 -0.221 0.000 0.982 2009 T CB -0.415 68.346 68.868 -0.178 0.000 1.199 2009 T HN 0.453 nan 8.240 nan 0.000 0.481 2010 I N 1.135 121.657 120.570 -0.081 0.000 2.145 2010 I HA -0.141 4.020 4.170 -0.015 0.000 0.244 2010 I C 2.460 178.570 176.117 -0.012 0.000 1.075 2010 I CA 1.322 62.602 61.300 -0.034 0.000 1.332 2010 I CB -1.065 36.915 38.000 -0.033 0.000 1.033 2010 I HN 0.254 nan 8.210 nan 0.000 0.410 2011 K N 0.871 121.261 120.400 -0.017 0.000 2.147 2011 K HA -0.043 4.268 4.320 -0.015 0.000 0.205 2011 K C 2.314 178.929 176.600 0.025 0.000 1.049 2011 K CA 1.017 57.307 56.287 0.004 0.000 0.936 2011 K CB -0.252 32.249 32.500 0.001 0.000 0.722 2011 K HN 0.294 nan 8.250 nan 0.000 0.446 2012 S N 1.295 117.006 115.700 0.019 0.000 2.387 2012 S HA -0.081 4.380 4.470 -0.015 0.000 0.226 2012 S C 1.361 176.005 174.600 0.074 0.000 1.026 2012 S CA 0.913 59.137 58.200 0.039 0.000 0.972 2012 S CB -0.052 63.152 63.200 0.007 0.000 0.814 2012 S HN 0.296 nan 8.310 nan 0.000 0.477 2013 D N 1.502 121.937 120.400 0.058 0.000 2.097 2013 D HA -0.114 4.517 4.640 -0.015 0.000 0.195 2013 D C 1.907 178.272 176.300 0.107 0.000 0.989 2013 D CA 1.057 55.117 54.000 0.099 0.000 0.827 2013 D CB -0.221 40.615 40.800 0.061 0.000 0.966 2013 D HN 0.524 nan 8.370 nan 0.000 0.456 2014 E N 0.667 120.905 120.200 0.064 0.000 2.023 2014 E HA -0.153 4.188 4.350 -0.015 0.000 0.196 2014 E C 2.462 179.097 176.600 0.059 0.000 1.003 2014 E CA 0.680 57.108 56.400 0.048 0.000 0.809 2014 E CB -0.132 29.586 29.700 0.030 0.000 0.755 2014 E HN 0.287 nan 8.360 nan 0.000 0.449 2015 I N 0.444 121.060 120.570 0.076 0.000 2.163 2015 I HA -0.269 3.892 4.170 -0.015 0.000 0.243 2015 I C 2.377 178.571 176.117 0.129 0.000 1.085 2015 I CA 0.991 62.343 61.300 0.087 0.000 1.347 2015 I CB -0.246 37.810 38.000 0.093 0.000 1.044 2015 I HN 0.080 nan 8.210 nan 0.000 0.408 2016 F N 1.818 121.768 119.950 0.001 0.000 2.171 2016 F HA -0.162 4.356 4.527 -0.015 0.000 0.300 2016 F C 2.447 178.249 175.800 0.004 0.000 1.090 2016 F CA 1.080 59.079 58.000 -0.001 0.000 1.293 2016 F CB -0.481 38.510 39.000 -0.015 0.000 1.013 2016 F HN -0.000 nan 8.300 nan 0.000 0.486 2017 A N 0.261 123.050 122.820 -0.052 0.000 1.940 2017 A HA -0.075 4.236 4.320 -0.015 0.000 0.219 2017 A C 2.420 179.911 177.584 -0.156 0.000 1.176 2017 A CA 1.856 53.808 52.037 -0.142 0.000 0.631 2017 A CB -1.485 17.498 19.000 -0.029 0.000 0.814 2017 A HN 0.460 nan 8.150 nan 0.000 0.446 2018 A N -0.450 122.319 122.820 -0.085 0.000 1.968 2018 A HA 0.292 4.603 4.320 -0.015 0.000 0.217 2018 A C 2.418 179.949 177.584 -0.089 0.000 1.169 2018 A CA 1.630 53.627 52.037 -0.065 0.000 0.638 2018 A CB -0.793 18.195 19.000 -0.021 0.000 0.812 2018 A HN 1.000 nan 8.150 nan 0.000 0.446 2019 A N -0.483 122.269 122.820 -0.113 0.000 1.969 2019 A HA -0.169 4.142 4.320 -0.015 0.000 0.218 2019 A C 1.999 179.481 177.584 -0.171 0.000 1.169 2019 A CA 1.435 53.411 52.037 -0.100 0.000 0.635 2019 A CB -0.491 18.495 19.000 -0.022 0.000 0.810 2019 A HN 0.640 nan 8.150 nan 0.000 0.445 2020 Q N -0.448 119.163 119.800 -0.314 0.000 2.364 2020 Q HA -0.101 4.230 4.340 -0.015 0.000 0.207 2020 Q C 1.395 177.307 176.000 -0.147 0.000 0.970 2020 Q CA 1.246 56.880 55.803 -0.283 0.000 0.888 2020 Q CB -0.072 28.433 28.738 -0.388 0.000 0.951 2020 Q HN 0.657 nan 8.270 nan 0.000 0.469 2021 K N -0.456 119.875 120.400 -0.115 0.000 2.352 2021 K HA 0.112 4.423 4.320 -0.015 0.000 0.194 2021 K C 1.508 178.079 176.600 -0.049 0.000 1.038 2021 K CA 0.241 56.486 56.287 -0.070 0.000 1.023 2021 K CB 0.583 33.049 32.500 -0.058 0.000 0.840 2021 K HN 0.130 nan 8.250 nan 0.000 0.519 2022 L N -0.203 120.991 121.223 -0.050 0.000 2.388 2022 L HA 0.240 4.571 4.340 -0.015 0.000 0.209 2022 L C 0.839 177.696 176.870 -0.021 0.000 1.061 2022 L CA 0.322 55.146 54.840 -0.028 0.000 0.834 2022 L CB 0.242 42.289 42.059 -0.020 0.000 1.029 2022 L HN 0.066 nan 8.230 nan 0.000 0.473 2023 M N -1.041 118.544 119.600 -0.026 0.000 2.658 2023 M HA 0.423 4.894 4.480 -0.015 0.000 0.295 2023 M C -2.551 173.739 176.300 -0.016 0.000 1.248 2023 M CA -1.807 53.486 55.300 -0.011 0.000 0.843 2023 M CB 1.829 34.434 32.600 0.008 0.000 1.749 2023 M HN -0.384 nan 8.290 nan 0.000 0.464 2024 P HA 0.150 nan 4.420 nan 0.000 0.270 2024 P C 0.606 177.915 177.300 0.014 0.000 1.242 2024 P CA 0.851 63.949 63.100 -0.003 0.000 0.768 2024 P CB 0.221 31.920 31.700 -0.002 0.000 0.820 2025 G N 3.589 112.391 108.800 0.004 0.000 2.168 2025 G HA2 -0.207 3.744 3.960 -0.015 0.000 0.263 2025 G HA3 -0.207 3.744 3.960 -0.015 0.000 0.263 2025 G C 0.864 175.789 174.900 0.041 0.000 0.977 2025 G CA 0.390 45.515 45.100 0.041 0.000 0.659 2025 G HN 0.983 nan 8.290 nan 0.000 0.533 2026 G N -2.250 106.528 108.800 -0.036 0.000 2.249 2026 G HA2 0.150 4.101 3.960 -0.015 0.000 0.273 2026 G HA3 0.150 4.101 3.960 -0.015 0.000 0.273 2026 G C 0.682 175.691 174.900 0.182 0.000 1.036 2026 G CA 1.456 46.522 45.100 -0.056 0.000 0.824 2026 G HN 2.390 nan 8.290 nan 0.000 0.504 2027 V N -5.187 114.821 119.914 0.157 0.000 3.188 2027 V HA 0.856 4.967 4.120 -0.015 0.000 0.305 2027 V C 0.728 176.873 176.094 0.084 0.000 1.232 2027 V CA 0.130 62.527 62.300 0.162 0.000 1.043 2027 V CB 1.374 33.318 31.823 0.201 0.000 1.068 2027 V HN 0.211 nan 8.190 nan 0.000 0.439 2028 S N 0.420 116.159 115.700 0.066 0.000 2.524 2028 S HA 0.296 4.757 4.470 -0.015 0.000 0.216 2028 S C 0.641 175.251 174.600 0.016 0.000 0.987 2028 S CA 0.873 59.095 58.200 0.036 0.000 0.909 2028 S CB 0.071 63.292 63.200 0.035 0.000 0.781 2028 S HN 0.974 nan 8.310 nan 0.000 0.521 2029 S N 0.067 115.777 115.700 0.017 0.000 2.566 2029 S HA 0.419 4.880 4.470 -0.015 0.000 0.273 2029 S C -2.361 172.233 174.600 -0.010 0.000 1.157 2029 S CA -1.391 56.794 58.200 -0.024 0.000 0.938 2029 S CB 1.359 64.514 63.200 -0.075 0.000 1.087 2029 S HN -0.185 nan 8.310 nan 0.000 0.474 2030 P HA -0.196 nan 4.420 nan 0.000 0.218 2030 P C 1.571 178.882 177.300 0.018 0.000 1.165 2030 P CA 1.239 64.338 63.100 -0.003 0.000 0.922 2030 P CB 0.042 31.720 31.700 -0.038 0.000 0.794 2031 V N -0.047 119.840 119.914 -0.045 0.000 2.282 2031 V HA -0.331 3.780 4.120 -0.015 0.000 0.249 2031 V C 2.225 178.410 176.094 0.153 0.000 1.057 2031 V CA 2.060 64.362 62.300 0.003 0.000 1.032 2031 V CB -0.828 30.910 31.823 -0.141 0.000 0.645 2031 V HN 0.076 nan 8.190 nan 0.000 0.447 2032 R N 0.095 120.700 120.500 0.174 0.000 2.316 2032 R HA -0.142 4.189 4.340 -0.015 0.000 0.232 2032 R C 2.168 178.624 176.300 0.259 0.000 1.137 2032 R CA 1.154 57.419 56.100 0.276 0.000 1.012 2032 R CB -0.594 29.814 30.300 0.180 0.000 0.859 2032 R HN 0.637 nan 8.270 nan 0.000 0.474 2033 A N 0.133 123.082 122.820 0.216 0.000 2.066 2033 A HA -0.083 4.228 4.320 -0.015 0.000 0.218 2033 A C 0.712 178.451 177.584 0.258 0.000 1.157 2033 A CA 0.735 52.888 52.037 0.194 0.000 0.670 2033 A CB -0.233 18.906 19.000 0.231 0.000 0.804 2033 A HN 0.409 nan 8.150 nan 0.000 0.453 2034 F N -2.036 117.907 119.950 -0.012 0.000 2.748 2034 F HA -0.314 4.205 4.527 -0.014 0.000 0.370 2034 F C 1.519 177.321 175.800 0.004 0.000 0.620 2034 F CA 1.037 59.019 58.000 -0.030 0.000 1.233 2034 F CB -1.660 37.300 39.000 -0.067 0.000 1.708 2034 F HN 0.273 nan 8.300 nan 0.000 0.298 2035 K N 0.293 120.806 120.400 0.189 0.000 2.052 2035 K HA -0.275 4.036 4.320 -0.015 0.000 0.215 2035 K C 1.734 178.395 176.600 0.101 0.000 1.053 2035 K CA 2.210 58.583 56.287 0.142 0.000 0.934 2035 K CB -0.525 32.050 32.500 0.124 0.000 0.717 2035 K HN 0.506 nan 8.250 nan 0.000 0.450 2036 S N -0.078 115.665 115.700 0.073 0.000 2.727 2036 S HA 0.014 4.475 4.470 -0.015 0.000 0.226 2036 S C 1.189 175.817 174.600 0.047 0.000 0.963 2036 S CA 0.336 58.579 58.200 0.072 0.000 0.950 2036 S CB 0.663 63.915 63.200 0.086 0.000 0.779 2036 S HN 0.127 nan 8.310 nan 0.000 0.532 2037 V N -0.965 118.945 119.914 -0.008 0.000 3.509 2037 V HA 0.520 4.631 4.120 -0.015 0.000 0.286 2037 V C 0.977 177.082 176.094 0.018 0.000 1.618 2037 V CA 0.569 62.820 62.300 -0.082 0.000 1.088 2037 V CB 0.691 32.226 31.823 -0.480 0.000 0.909 2037 V HN 0.593 nan 8.190 nan 0.000 0.429 2038 G N -0.475 108.389 108.800 0.106 0.000 4.373 2038 G HA2 0.338 4.289 3.960 -0.015 0.000 0.195 2038 G HA3 0.338 4.289 3.960 -0.015 0.000 0.195 2038 G C 1.086 176.093 174.900 0.179 0.000 1.377 2038 G CA 0.762 45.959 45.100 0.161 0.000 0.858 2038 G HN 1.433 nan 8.290 nan 0.000 0.307 2039 G N -0.579 108.363 108.800 0.237 0.000 2.184 2039 G HA2 -0.117 3.834 3.960 -0.015 0.000 0.206 2039 G HA3 -0.117 3.834 3.960 -0.015 0.000 0.206 2039 G C 0.154 175.138 174.900 0.140 0.000 0.995 2039 G CA 0.656 45.880 45.100 0.206 0.000 0.651 2039 G HN 0.909 nan 8.290 nan 0.000 0.511 2040 Q N 1.316 121.177 119.800 0.102 0.000 2.721 2040 Q HA 0.305 4.636 4.340 -0.015 0.000 0.257 2040 Q C -2.515 173.194 176.000 -0.485 0.000 1.070 2040 Q CA -1.469 54.286 55.803 -0.080 0.000 0.910 2040 Q CB 2.180 30.951 28.738 0.055 0.000 1.163 2040 Q HN 0.489 nan 8.270 nan 0.000 0.501 2041 P HA 0.177 nan 4.420 nan 0.000 0.272 2041 P C 0.080 176.843 177.300 -0.896 0.000 1.230 2041 P CA -0.310 61.710 63.100 -1.800 0.000 0.788 2041 P CB 1.051 31.985 31.700 -1.276 0.000 0.949 2042 I N -0.970 119.230 120.570 -0.617 0.000 2.359 2042 I HA 0.417 4.578 4.170 -0.015 0.000 0.294 2042 I C -0.335 175.827 176.117 0.075 0.000 0.987 2042 I CA -1.288 59.951 61.300 -0.102 0.000 1.225 2042 I CB 1.563 39.635 38.000 0.120 0.000 1.366 2042 I HN -0.068 nan 8.210 nan 0.000 0.466 2043 V N 6.753 126.727 119.914 0.100 0.000 2.488 2043 V HA 0.284 4.395 4.120 -0.015 0.000 0.277 2043 V C 0.136 176.431 176.094 0.335 0.000 1.046 2043 V CA 0.045 62.447 62.300 0.172 0.000 0.986 2043 V CB 0.396 32.286 31.823 0.112 0.000 0.989 2043 V HN 0.558 nan 8.190 nan 0.000 0.475 2044 F N 2.434 122.368 119.950 -0.027 0.000 2.378 2044 F HA 0.288 4.806 4.527 -0.015 0.000 0.325 2044 F C 1.107 176.920 175.800 0.021 0.000 1.097 2044 F CA -0.293 57.697 58.000 -0.017 0.000 1.079 2044 F CB 1.693 40.653 39.000 -0.067 0.000 1.240 2044 F HN 0.581 nan 8.300 nan 0.000 0.519 2045 D N -0.360 120.158 120.400 0.197 0.000 2.461 2045 D HA 0.130 4.761 4.640 -0.015 0.000 0.266 2045 D C -0.339 176.023 176.300 0.103 0.000 1.085 2045 D CA 0.113 54.186 54.000 0.121 0.000 0.887 2045 D CB 0.655 41.501 40.800 0.077 0.000 1.309 2045 D HN 0.562 nan 8.370 nan 0.000 0.498 2046 R N -0.739 119.844 120.500 0.139 0.000 2.728 2046 R HA 0.574 4.905 4.340 -0.015 0.000 0.274 2046 R C -1.819 174.622 176.300 0.236 0.000 1.032 2046 R CA -1.013 55.162 56.100 0.124 0.000 0.866 2046 R CB 1.230 31.537 30.300 0.012 0.000 1.263 2046 R HN -0.074 nan 8.270 nan 0.000 0.475 2047 V N -1.323 118.697 119.914 0.177 0.000 2.808 2047 V HA 0.833 4.944 4.120 -0.015 0.000 0.308 2047 V C -1.203 175.069 176.094 0.296 0.000 1.099 2047 V CA -0.835 61.577 62.300 0.187 0.000 0.920 2047 V CB 1.893 33.485 31.823 -0.385 0.000 1.014 2047 V HN 0.912 nan 8.190 nan 0.000 0.425 2048 K N 2.910 123.623 120.400 0.522 0.000 2.513 2048 K HA 0.579 4.891 4.320 -0.015 0.000 0.251 2048 K C -0.077 176.709 176.600 0.310 0.000 0.939 2048 K CA 0.183 56.724 56.287 0.423 0.000 0.793 2048 K CB 1.592 34.372 32.500 0.467 0.000 1.241 2048 K HN 0.980 nan 8.250 nan 0.000 0.431 2049 D N 1.867 122.364 120.400 0.162 0.000 3.927 2049 D HA -0.320 4.311 4.640 -0.015 0.000 0.142 2049 D C 0.324 176.503 176.300 -0.203 0.000 0.830 2049 D CA 2.261 56.241 54.000 -0.033 0.000 1.091 2049 D CB -1.084 39.665 40.800 -0.085 0.000 0.495 2049 D HN 0.579 nan 8.370 nan 0.000 0.489 2050 A N 0.236 122.701 122.820 -0.593 0.000 2.345 2050 A HA 0.349 4.660 4.320 -0.015 0.000 0.225 2050 A C -0.012 177.072 177.584 -0.834 0.000 1.243 2050 A CA 0.073 51.573 52.037 -0.895 0.000 0.875 2050 A CB -0.120 17.964 19.000 -1.526 0.000 0.929 2050 A HN 0.360 nan 8.150 nan 0.000 0.502 2051 Y N -1.445 118.741 120.300 -0.191 0.000 2.567 2051 Y HA 0.691 5.233 4.550 -0.015 0.000 0.333 2051 Y C 0.419 176.148 175.900 -0.286 0.000 1.106 2051 Y CA -0.861 57.018 58.100 -0.369 0.000 1.157 2051 Y CB 1.639 39.660 38.460 -0.733 0.000 1.277 2051 Y HN 0.114 nan 8.280 nan 0.000 0.490 2052 A N 1.058 123.680 122.820 -0.329 0.000 2.475 2052 A HA 0.687 4.998 4.320 -0.015 0.000 0.301 2052 A C -2.003 175.306 177.584 -0.458 0.000 1.059 2052 A CA -0.632 51.205 52.037 -0.333 0.000 0.710 2052 A CB 1.313 19.984 19.000 -0.548 0.000 1.288 2052 A HN 0.741 nan 8.150 nan 0.000 0.408 2053 W N 1.546 122.695 121.300 -0.253 0.000 2.683 2053 W HA 0.281 4.932 4.660 -0.014 0.000 0.329 2053 W C -0.888 175.520 176.519 -0.185 0.000 1.037 2053 W CA -0.548 56.707 57.345 -0.149 0.000 1.232 2053 W CB 1.936 31.340 29.460 -0.093 0.000 1.390 2053 W HN 0.765 nan 8.180 nan 0.000 0.465 2054 D N 0.567 121.049 120.400 0.137 0.000 2.349 2054 D HA 0.015 4.646 4.640 -0.015 0.000 0.239 2054 D C 1.259 177.616 176.300 0.095 0.000 1.315 2054 D CA 0.359 54.420 54.000 0.103 0.000 0.937 2054 D CB 1.216 42.096 40.800 0.132 0.000 1.133 2054 D HN 0.167 nan 8.370 nan 0.000 0.489 2055 V N -2.211 117.747 119.914 0.074 0.000 3.647 2055 V HA 0.171 4.282 4.120 -0.015 0.000 0.279 2055 V C 0.726 176.837 176.094 0.028 0.000 1.314 2055 V CA 0.505 62.838 62.300 0.054 0.000 1.125 2055 V CB 0.101 31.959 31.823 0.058 0.000 0.907 2055 V HN 0.288 nan 8.190 nan 0.000 0.434 2056 D N 0.913 121.325 120.400 0.021 0.000 2.398 2056 D HA 0.275 4.906 4.640 -0.015 0.000 0.210 2056 D C 1.774 178.070 176.300 -0.007 0.000 1.094 2056 D CA 1.016 55.007 54.000 -0.016 0.000 0.839 2056 D CB 1.249 42.009 40.800 -0.066 0.000 0.963 2056 D HN 0.651 nan 8.370 nan 0.000 0.506 2057 G N 1.798 110.621 108.800 0.038 0.000 2.175 2057 G HA2 -0.260 3.691 3.960 -0.015 0.000 0.244 2057 G HA3 -0.260 3.691 3.960 -0.015 0.000 0.244 2057 G C 0.109 175.059 174.900 0.085 0.000 0.982 2057 G CA -0.309 44.836 45.100 0.074 0.000 0.641 2057 G HN 0.304 nan 8.290 nan 0.000 0.527 2058 N N 0.464 119.171 118.700 0.012 0.000 2.492 2058 N HA 0.425 5.157 4.740 -0.015 0.000 0.260 2058 N C 0.388 175.721 175.510 -0.296 0.000 1.215 2058 N CA -0.156 52.804 53.050 -0.150 0.000 0.923 2058 N CB 0.437 38.814 38.487 -0.184 0.000 1.092 2058 N HN 0.095 nan 8.380 nan 0.000 0.448 2059 R N 2.142 122.331 120.500 -0.519 0.000 2.460 2059 R HA 0.386 4.717 4.340 -0.015 0.000 0.303 2059 R C -1.534 174.304 176.300 -0.770 0.000 0.968 2059 R CA -0.376 55.282 56.100 -0.737 0.000 0.889 2059 R CB 0.605 30.540 30.300 -0.610 0.000 1.123 2059 R HN 0.571 nan 8.270 nan 0.000 0.455 2060 Y N 2.209 122.229 120.300 -0.467 0.000 2.553 2060 Y HA 0.469 5.010 4.550 -0.015 0.000 0.347 2060 Y C 0.325 176.157 175.900 -0.113 0.000 1.019 2060 Y CA -0.844 57.127 58.100 -0.214 0.000 1.032 2060 Y CB 1.849 40.240 38.460 -0.115 0.000 1.284 2060 Y HN 0.336 nan 8.280 nan 0.000 0.466 2061 I N 2.644 123.310 120.570 0.161 0.000 2.287 2061 I HA 0.115 4.276 4.170 -0.015 0.000 0.290 2061 I C -0.398 175.728 176.117 0.016 0.000 1.069 2061 I CA -0.330 61.009 61.300 0.065 0.000 1.237 2061 I CB 0.344 38.407 38.000 0.105 0.000 1.418 2061 I HN 0.550 nan 8.210 nan 0.000 0.481 2062 D N 5.489 125.841 120.400 -0.080 0.000 2.390 2062 D HA 0.026 4.657 4.640 -0.015 0.000 0.249 2062 D C -0.306 175.918 176.300 -0.127 0.000 1.144 2062 D CA 0.458 54.495 54.000 0.061 0.000 0.880 2062 D CB 0.755 41.638 40.800 0.139 0.000 1.182 2062 D HN 0.340 nan 8.370 nan 0.000 0.451 2063 Y N 1.937 122.393 120.300 0.260 0.000 2.641 2063 Y HA 0.152 4.693 4.550 -0.015 0.000 0.248 2063 Y C 1.480 177.449 175.900 0.114 0.000 1.170 2063 Y CA -0.210 58.016 58.100 0.209 0.000 1.201 2063 Y CB 0.844 39.429 38.460 0.208 0.000 1.232 2063 Y HN 0.272 nan 8.280 nan 0.000 0.537 2064 V N -1.296 118.727 119.914 0.183 0.000 2.949 2064 V HA 0.177 4.288 4.120 -0.015 0.000 0.245 2064 V C 1.585 177.723 176.094 0.072 0.000 1.086 2064 V CA 0.861 63.148 62.300 -0.021 0.000 1.097 2064 V CB -0.440 31.244 31.823 -0.231 0.000 0.762 2064 V HN 0.467 nan 8.190 nan 0.000 0.470 2065 G N 1.459 110.323 108.800 0.106 0.000 2.395 2065 G HA2 -0.364 3.587 3.960 -0.015 0.000 0.292 2065 G HA3 -0.364 3.587 3.960 -0.015 0.000 0.292 2065 G C 0.604 175.570 174.900 0.110 0.000 0.953 2065 G CA 1.230 46.353 45.100 0.037 0.000 1.207 2065 G HN 0.748 nan 8.290 nan 0.000 0.503 2066 T N -1.446 113.222 114.554 0.190 0.000 3.866 2066 T HA -0.327 4.014 4.350 -0.015 0.000 0.344 2066 T C 1.175 176.051 174.700 0.292 0.000 0.760 2066 T CA 2.434 64.653 62.100 0.199 0.000 1.852 2066 T CB -1.606 67.421 68.868 0.264 0.000 1.891 2066 T HN 2.098 nan 8.240 nan 0.000 0.783 2067 W N -2.972 118.434 121.300 0.177 0.000 3.653 2067 W HA -0.129 4.521 4.660 -0.017 0.000 0.339 2067 W C 1.255 177.672 176.519 -0.170 0.000 1.296 2067 W CA 0.666 58.108 57.345 0.162 0.000 0.693 2067 W CB -1.956 27.597 29.460 0.155 0.000 2.388 2067 W HN 1.175 nan 8.180 nan 0.000 1.300 2068 G N -4.128 104.490 108.800 -0.303 0.000 2.796 2068 G HA2 -0.232 3.719 3.960 -0.015 0.000 0.198 2068 G HA3 -0.232 3.719 3.960 -0.015 0.000 0.198 2068 G C -0.613 174.148 174.900 -0.232 0.000 1.062 2068 G CA 0.006 44.763 45.100 -0.571 0.000 0.752 2068 G HN 0.175 nan 8.290 nan 0.000 0.487 2069 P HA 0.153 nan 4.420 nan 0.000 0.216 2069 P C 1.440 178.729 177.300 -0.018 0.000 1.150 2069 P CA 2.106 65.196 63.100 -0.016 0.000 0.837 2069 P CB -0.031 31.697 31.700 0.046 0.000 0.786 2070 A N -0.825 121.983 122.820 -0.019 0.000 2.916 2070 A HA 0.104 4.415 4.320 -0.015 0.000 0.254 2070 A C 1.481 179.023 177.584 -0.071 0.000 1.544 2070 A CA -0.153 51.860 52.037 -0.039 0.000 1.224 2070 A CB -1.883 17.038 19.000 -0.131 0.000 1.012 2070 A HN 0.180 nan 8.150 nan 0.000 0.636 2071 I N -1.444 119.094 120.570 -0.053 0.000 2.614 2071 I HA -0.195 3.966 4.170 -0.015 0.000 0.258 2071 I C 1.163 177.269 176.117 -0.018 0.000 1.189 2071 I CA 1.213 62.489 61.300 -0.039 0.000 1.462 2071 I CB 0.156 38.139 38.000 -0.029 0.000 1.092 2071 I HN 0.478 nan 8.210 nan 0.000 0.442 2072 C N 1.713 121.013 119.300 -0.000 0.000 2.855 2072 C HA 0.518 4.969 4.460 -0.015 0.000 0.279 2072 C C 0.951 176.014 174.990 0.121 0.000 1.270 2072 C CA 0.270 59.324 59.018 0.059 0.000 1.702 2072 C CB -1.605 26.147 27.740 0.020 0.000 1.949 2072 C HN 0.748 nan 8.230 nan 0.000 0.618 2073 G N 0.093 108.911 108.800 0.031 0.000 2.675 2073 G HA2 -0.100 3.851 3.960 -0.015 0.000 0.686 2073 G HA3 -0.100 3.851 3.960 -0.015 0.000 0.686 2073 G C -0.850 174.077 174.900 0.046 0.000 1.215 2073 G CA -0.871 44.222 45.100 -0.013 0.000 0.777 2073 G HN 0.611 nan 8.290 nan 0.000 0.638 2074 H N 0.374 119.476 119.070 0.053 0.000 2.815 2074 H HA 0.415 4.962 4.556 -0.015 0.000 0.350 2074 H C 1.368 176.747 175.328 0.086 0.000 1.080 2074 H CA 0.788 56.882 56.048 0.076 0.000 1.433 2074 H CB 0.944 30.759 29.762 0.088 0.000 1.432 2074 H HN 2.092 nan 8.280 nan 0.000 0.592 2075 A N 2.531 125.490 122.820 0.232 0.000 2.511 2075 A HA -0.253 4.058 4.320 -0.015 0.000 0.297 2075 A C 0.326 177.995 177.584 0.142 0.000 1.476 2075 A CA 0.620 52.747 52.037 0.150 0.000 0.757 2075 A CB -2.073 16.996 19.000 0.114 0.000 1.072 2075 A HN 0.818 nan 8.150 nan 0.000 0.413 2076 H N 0.565 119.669 119.070 0.056 0.000 3.004 2076 H HA 0.146 4.693 4.556 -0.015 0.000 0.316 2076 H C -1.081 174.260 175.328 0.020 0.000 1.014 2076 H CA -0.627 55.439 56.048 0.029 0.000 1.454 2076 H CB 0.645 30.415 29.762 0.013 0.000 1.472 2076 H HN 0.224 nan 8.280 nan 0.000 0.571 2077 P HA -0.207 nan 4.420 nan 0.000 0.217 2077 P C 1.012 178.418 177.300 0.177 0.000 1.162 2077 P CA 1.948 65.086 63.100 0.063 0.000 0.901 2077 P CB 0.264 31.929 31.700 -0.058 0.000 0.793 2078 E N -1.041 119.373 120.200 0.356 0.000 2.204 2078 E HA -0.081 4.260 4.350 -0.015 0.000 0.194 2078 E C 1.907 178.561 176.600 0.090 0.000 0.989 2078 E CA 0.672 57.186 56.400 0.190 0.000 0.824 2078 E CB -0.387 29.417 29.700 0.173 0.000 0.756 2078 E HN 0.086 nan 8.360 nan 0.000 0.477 2079 V N 1.187 121.163 119.914 0.103 0.000 2.379 2079 V HA -0.202 3.909 4.120 -0.015 0.000 0.245 2079 V C 2.146 178.260 176.094 0.034 0.000 1.044 2079 V CA 1.265 63.571 62.300 0.011 0.000 1.036 2079 V CB -0.235 31.582 31.823 -0.009 0.000 0.664 2079 V HN 0.244 nan 8.190 nan 0.000 0.453 2080 I N -0.054 120.556 120.570 0.067 0.000 2.202 2080 I HA -0.209 3.952 4.170 -0.015 0.000 0.242 2080 I C 2.613 178.748 176.117 0.030 0.000 1.091 2080 I CA 1.486 62.812 61.300 0.044 0.000 1.368 2080 I CB -0.288 37.742 38.000 0.050 0.000 1.058 2080 I HN 0.308 nan 8.210 nan 0.000 0.410 2081 E N 1.367 121.590 120.200 0.037 0.000 2.085 2081 E HA -0.208 4.133 4.350 -0.015 0.000 0.194 2081 E C 2.133 178.743 176.600 0.015 0.000 0.994 2081 E CA 1.712 58.128 56.400 0.025 0.000 0.801 2081 E CB -0.236 29.483 29.700 0.031 0.000 0.743 2081 E HN 0.426 nan 8.360 nan 0.000 0.453 2082 A N -0.057 122.770 122.820 0.012 0.000 2.019 2082 A HA -0.100 4.211 4.320 -0.015 0.000 0.219 2082 A C 2.219 179.799 177.584 -0.007 0.000 1.164 2082 A CA 1.101 53.137 52.037 -0.001 0.000 0.644 2082 A CB -0.478 18.514 19.000 -0.013 0.000 0.805 2082 A HN 0.316 nan 8.150 nan 0.000 0.449 2083 L N -0.991 120.228 121.223 -0.005 0.000 2.068 2083 L HA -0.119 4.212 4.340 -0.015 0.000 0.204 2083 L C 2.527 179.394 176.870 -0.005 0.000 1.076 2083 L CA 1.300 56.133 54.840 -0.012 0.000 0.753 2083 L CB -0.404 41.649 42.059 -0.009 0.000 0.910 2083 L HN 0.321 nan 8.230 nan 0.000 0.439 2084 K N -0.084 120.317 120.400 0.003 0.000 1.991 2084 K HA -0.179 4.132 4.320 -0.015 0.000 0.212 2084 K C 1.983 178.587 176.600 0.007 0.000 1.049 2084 K CA 1.573 57.863 56.287 0.005 0.000 0.932 2084 K CB -0.625 31.879 32.500 0.007 0.000 0.717 2084 K HN 0.032 nan 8.250 nan 0.000 0.441 2085 V N 1.636 121.555 119.914 0.009 0.000 2.317 2085 V HA -0.327 3.784 4.120 -0.015 0.000 0.251 2085 V C 2.420 178.524 176.094 0.016 0.000 1.065 2085 V CA 2.194 64.501 62.300 0.012 0.000 1.049 2085 V CB -0.844 30.986 31.823 0.011 0.000 0.651 2085 V HN 0.453 nan 8.190 nan 0.000 0.450 2086 A N 0.688 123.514 122.820 0.009 0.000 1.898 2086 A HA -0.194 4.117 4.320 -0.015 0.000 0.216 2086 A C 2.198 179.791 177.584 0.015 0.000 1.181 2086 A CA 1.956 53.999 52.037 0.010 0.000 0.620 2086 A CB -0.492 18.498 19.000 -0.016 0.000 0.819 2086 A HN 0.692 nan 8.150 nan 0.000 0.442 2087 M N -1.588 118.014 119.600 0.004 0.000 2.632 2087 M HA 0.042 4.513 4.480 -0.015 0.000 0.256 2087 M C 0.919 177.237 176.300 0.029 0.000 1.080 2087 M CA 1.296 56.601 55.300 0.008 0.000 1.084 2087 M CB -0.313 32.286 32.600 -0.002 0.000 1.439 2087 M HN 0.117 nan 8.290 nan 0.000 0.509 2088 E N 2.370 122.589 120.200 0.033 0.000 2.208 2088 E HA -0.040 4.301 4.350 -0.015 0.000 0.193 2088 E C 1.137 177.771 176.600 0.057 0.000 0.988 2088 E CA 1.011 57.433 56.400 0.037 0.000 0.828 2088 E CB -0.092 29.625 29.700 0.028 0.000 0.763 2088 E HN 0.696 nan 8.360 nan 0.000 0.478 2089 K N 0.186 120.637 120.400 0.085 0.000 2.437 2089 K HA 0.269 4.580 4.320 -0.015 0.000 0.198 2089 K C 0.319 177.068 176.600 0.248 0.000 1.024 2089 K CA 0.329 56.697 56.287 0.136 0.000 1.148 2089 K CB 0.842 33.435 32.500 0.155 0.000 0.860 2089 K HN 0.085 nan 8.250 nan 0.000 0.515 2090 G N 0.874 109.780 108.800 0.177 0.000 2.674 2090 G HA2 -0.198 3.753 3.960 -0.015 0.000 0.686 2090 G HA3 -0.198 3.753 3.960 -0.015 0.000 0.686 2090 G C 0.282 175.213 174.900 0.052 0.000 1.195 2090 G CA -0.354 44.863 45.100 0.195 0.000 0.776 2090 G HN 0.080 nan 8.290 nan 0.000 0.654 2091 T N -2.469 112.081 114.554 -0.006 0.000 3.086 2091 T HA 0.621 4.962 4.350 -0.015 0.000 0.250 2091 T C 0.864 175.460 174.700 -0.174 0.000 1.074 2091 T CA 1.027 63.074 62.100 -0.088 0.000 0.988 2091 T CB 0.384 69.225 68.868 -0.043 0.000 0.988 2091 T HN 2.090 nan 8.240 nan 0.000 0.530 2092 S N -0.679 114.907 115.700 -0.190 0.000 2.596 2092 S HA 0.477 4.938 4.470 -0.015 0.000 0.305 2092 S C -1.022 173.564 174.600 -0.023 0.000 1.086 2092 S CA -0.756 57.307 58.200 -0.227 0.000 0.909 2092 S CB 0.074 63.220 63.200 -0.089 0.000 1.106 2092 S HN 0.036 nan 8.310 nan 0.000 0.450 2093 F N 2.501 122.451 119.950 -0.001 0.000 2.500 2093 F HA 0.437 4.956 4.527 -0.015 0.000 0.285 2093 F C 2.213 178.018 175.800 0.008 0.000 1.088 2093 F CA 0.505 58.506 58.000 0.003 0.000 1.432 2093 F CB -0.643 38.358 39.000 0.002 0.000 1.131 2093 F HN 1.053 nan 8.300 nan 0.000 0.582 2094 G N 0.640 109.539 108.800 0.166 0.000 2.160 2094 G HA2 0.103 4.054 3.960 -0.015 0.000 0.244 2094 G HA3 0.103 4.054 3.960 -0.015 0.000 0.244 2094 G C 0.086 175.057 174.900 0.120 0.000 1.022 2094 G CA 0.235 45.399 45.100 0.107 0.000 0.741 2094 G HN 0.840 nan 8.290 nan 0.000 0.508 2095 A N -1.250 121.670 122.820 0.166 0.000 2.581 2095 A HA 0.915 5.226 4.320 -0.015 0.000 0.290 2095 A C -2.859 174.824 177.584 0.166 0.000 1.119 2095 A CA -0.871 51.249 52.037 0.139 0.000 0.670 2095 A CB 0.646 19.716 19.000 0.116 0.000 1.280 2095 A HN 0.185 nan 8.150 nan 0.000 0.425 2096 P HA 0.455 nan 4.420 nan 0.000 0.269 2096 P C -0.534 176.864 177.300 0.164 0.000 1.209 2096 P CA 0.009 63.180 63.100 0.119 0.000 0.776 2096 P CB 0.257 32.004 31.700 0.078 0.000 0.876 2097 C N -0.287 119.110 119.300 0.161 0.000 3.086 2097 C HA 0.786 5.237 4.460 -0.015 0.000 0.311 2097 C C 1.576 176.634 174.990 0.113 0.000 1.260 2097 C CA -0.170 58.964 59.018 0.194 0.000 1.426 2097 C CB 1.016 28.976 27.740 0.366 0.000 1.826 2097 C HN 0.648 nan 8.230 nan 0.000 0.474 2098 A N 1.243 124.121 122.820 0.096 0.000 1.948 2098 A HA -0.089 4.222 4.320 -0.015 0.000 0.220 2098 A C 1.937 179.551 177.584 0.051 0.000 1.177 2098 A CA 2.134 54.210 52.037 0.064 0.000 0.636 2098 A CB -0.760 18.272 19.000 0.054 0.000 0.815 2098 A HN 0.990 nan 8.150 nan 0.000 0.449 2099 L N -0.882 120.366 121.223 0.043 0.000 2.079 2099 L HA -0.257 4.074 4.340 -0.015 0.000 0.210 2099 L C 2.587 179.441 176.870 -0.027 0.000 1.081 2099 L CA 1.778 56.615 54.840 -0.004 0.000 0.752 2099 L CB -0.575 41.461 42.059 -0.038 0.000 0.896 2099 L HN 0.505 nan 8.230 nan 0.000 0.433 2100 E N -0.142 120.053 120.200 -0.007 0.000 2.077 2100 E HA -0.216 4.125 4.350 -0.015 0.000 0.193 2100 E C 1.905 178.586 176.600 0.134 0.000 0.989 2100 E CA 1.367 57.783 56.400 0.027 0.000 0.800 2100 E CB -0.069 29.679 29.700 0.081 0.000 0.746 2100 E HN 0.461 nan 8.360 nan 0.000 0.452 2101 N N 0.168 118.926 118.700 0.097 0.000 2.043 2101 N HA -0.157 4.575 4.740 -0.015 0.000 0.193 2101 N C 1.851 177.416 175.510 0.091 0.000 1.037 2101 N CA 1.162 54.268 53.050 0.093 0.000 0.851 2101 N CB -0.511 38.014 38.487 0.064 0.000 1.027 2101 N HN -0.046 nan 8.380 nan 0.000 0.422 2102 V N 1.369 121.321 119.914 0.065 0.000 2.231 2102 V HA -0.249 3.862 4.120 -0.015 0.000 0.250 2102 V C 2.363 178.506 176.094 0.082 0.000 1.058 2102 V CA 1.538 63.873 62.300 0.058 0.000 1.022 2102 V CB -0.716 31.126 31.823 0.031 0.000 0.640 2102 V HN 0.358 nan 8.190 nan 0.000 0.445 2103 L N -0.421 120.848 121.223 0.078 0.000 2.046 2103 L HA -0.203 4.128 4.340 -0.015 0.000 0.208 2103 L C 2.669 179.720 176.870 0.303 0.000 1.077 2103 L CA 1.946 56.861 54.840 0.125 0.000 0.747 2103 L CB -0.725 41.312 42.059 -0.037 0.000 0.896 2103 L HN 0.436 nan 8.230 nan 0.000 0.432 2104 A N -0.560 122.483 122.820 0.371 0.000 1.883 2104 A HA -0.273 4.038 4.320 -0.015 0.000 0.217 2104 A C 2.118 179.774 177.584 0.120 0.000 1.186 2104 A CA 1.865 54.045 52.037 0.240 0.000 0.624 2104 A CB -0.565 18.531 19.000 0.160 0.000 0.822 2104 A HN 0.486 nan 8.150 nan 0.000 0.444 2105 E N -0.812 119.455 120.200 0.113 0.000 2.038 2105 E HA -0.208 4.133 4.350 -0.015 0.000 0.195 2105 E C 2.169 178.833 176.600 0.107 0.000 1.000 2105 E CA 1.610 58.062 56.400 0.086 0.000 0.803 2105 E CB -0.245 29.500 29.700 0.075 0.000 0.750 2105 E HN 0.690 nan 8.360 nan 0.000 0.448 2106 M N 0.119 119.798 119.600 0.133 0.000 2.108 2106 M HA -0.179 4.292 4.480 -0.015 0.000 0.261 2106 M C 2.415 178.835 176.300 0.199 0.000 1.066 2106 M CA 1.129 56.532 55.300 0.172 0.000 1.107 2106 M CB -0.217 32.479 32.600 0.160 0.000 1.356 2106 M HN 0.021 nan 8.290 nan 0.000 0.406 2107 V N 0.871 120.898 119.914 0.189 0.000 2.343 2107 V HA -0.262 3.849 4.120 -0.015 0.000 0.247 2107 V C 2.055 178.206 176.094 0.096 0.000 1.051 2107 V CA 1.712 64.132 62.300 0.200 0.000 1.036 2107 V CB -0.901 31.027 31.823 0.175 0.000 0.654 2107 V HN 0.471 nan 8.190 nan 0.000 0.451 2108 N N 0.413 119.148 118.700 0.060 0.000 2.084 2108 N HA -0.171 4.560 4.740 -0.015 0.000 0.190 2108 N C 1.583 177.118 175.510 0.042 0.000 1.030 2108 N CA 1.752 54.816 53.050 0.022 0.000 0.849 2108 N CB -0.498 37.995 38.487 0.010 0.000 1.012 2108 N HN 0.466 nan 8.380 nan 0.000 0.423 2109 D N 0.831 121.281 120.400 0.084 0.000 2.144 2109 D HA -0.067 4.564 4.640 -0.015 0.000 0.199 2109 D C 1.813 178.196 176.300 0.139 0.000 0.984 2109 D CA 1.048 55.113 54.000 0.108 0.000 0.834 2109 D CB -0.241 40.644 40.800 0.142 0.000 0.955 2109 D HN 0.244 nan 8.370 nan 0.000 0.465 2110 A N 0.583 123.497 122.820 0.158 0.000 1.841 2110 A HA -0.036 4.275 4.320 -0.015 0.000 0.214 2110 A C 1.255 178.786 177.584 -0.089 0.000 1.195 2110 A CA 0.658 52.738 52.037 0.073 0.000 0.611 2110 A CB -0.330 18.554 19.000 -0.193 0.000 0.835 2110 A HN 0.101 nan 8.150 nan 0.000 0.443 2111 V N 2.184 122.022 119.914 -0.126 0.000 2.385 2111 V HA 0.146 4.257 4.120 -0.015 0.000 0.269 2111 V C -1.219 174.829 176.094 -0.076 0.000 1.043 2111 V CA -1.167 61.047 62.300 -0.143 0.000 0.906 2111 V CB 1.007 32.736 31.823 -0.157 0.000 0.995 2111 V HN 0.355 nan 8.190 nan 0.000 0.467 2112 P HA -0.229 nan 4.420 nan 0.000 0.208 2112 P C 1.829 179.090 177.300 -0.066 0.000 1.180 2112 P CA 2.332 65.401 63.100 -0.051 0.000 0.935 2112 P CB -0.060 31.612 31.700 -0.047 0.000 0.785 2113 S N -0.091 115.554 115.700 -0.091 0.000 2.423 2113 S HA -0.147 4.314 4.470 -0.015 0.000 0.238 2113 S C 1.267 175.810 174.600 -0.096 0.000 1.028 2113 S CA 0.794 58.928 58.200 -0.110 0.000 1.000 2113 S CB -1.559 61.547 63.200 -0.157 0.000 0.797 2113 S HN 0.138 nan 8.310 nan 0.000 0.487 2114 I N 3.012 123.532 120.570 -0.084 0.000 2.363 2114 I HA 0.125 4.286 4.170 -0.015 0.000 0.292 2114 I C 1.289 177.366 176.117 -0.067 0.000 1.075 2114 I CA -0.075 61.177 61.300 -0.081 0.000 1.333 2114 I CB 0.652 38.605 38.000 -0.078 0.000 1.415 2114 I HN 0.470 nan 8.210 nan 0.000 0.502 2115 E N 6.438 126.595 120.200 -0.072 0.000 2.562 2115 E HA 0.233 4.574 4.350 -0.015 0.000 0.214 2115 E C 0.160 176.721 176.600 -0.065 0.000 0.979 2115 E CA -0.184 56.183 56.400 -0.056 0.000 1.002 2115 E CB 1.219 30.890 29.700 -0.049 0.000 1.048 2115 E HN 0.589 nan 8.360 nan 0.000 0.488 2116 M N 1.684 121.228 119.600 -0.094 0.000 2.274 2116 M HA 0.314 4.785 4.480 -0.015 0.000 0.272 2116 M C -2.358 173.829 176.300 -0.189 0.000 1.053 2116 M CA -0.693 54.534 55.300 -0.121 0.000 0.978 2116 M CB 2.636 35.175 32.600 -0.101 0.000 1.836 2116 M HN -0.022 nan 8.290 nan 0.000 0.484 2117 V N 3.628 123.386 119.914 -0.261 0.000 3.046 2117 V HA 0.912 5.023 4.120 -0.015 0.000 0.316 2117 V C -1.645 174.111 176.094 -0.563 0.000 1.104 2117 V CA -0.496 61.554 62.300 -0.416 0.000 1.006 2117 V CB 2.384 33.931 31.823 -0.459 0.000 1.058 2117 V HN 0.966 nan 8.190 nan 0.000 0.440 2118 R N 3.369 123.425 120.500 -0.740 0.000 2.538 2118 R HA 0.531 4.862 4.340 -0.015 0.000 0.292 2118 R C -1.827 174.105 176.300 -0.613 0.000 1.008 2118 R CA -0.504 55.175 56.100 -0.701 0.000 0.896 2118 R CB 0.903 30.664 30.300 -0.899 0.000 1.187 2118 R HN 0.539 nan 8.270 nan 0.000 0.440 2119 F N 4.039 123.908 119.950 -0.136 0.000 2.371 2119 F HA 0.538 5.056 4.527 -0.015 0.000 0.329 2119 F C 0.983 176.780 175.800 -0.005 0.000 1.107 2119 F CA 0.059 58.026 58.000 -0.054 0.000 1.137 2119 F CB 1.285 40.261 39.000 -0.042 0.000 1.214 2119 F HN 0.413 nan 8.300 nan 0.000 0.536 2120 V N -0.677 119.384 119.914 0.245 0.000 3.109 2120 V HA 0.500 4.611 4.120 -0.015 0.000 0.311 2120 V C -0.586 175.582 176.094 0.125 0.000 1.389 2120 V CA -0.846 61.554 62.300 0.165 0.000 1.034 2120 V CB 1.850 33.777 31.823 0.174 0.000 1.105 2120 V HN 0.693 nan 8.190 nan 0.000 0.477 2121 N N 0.228 118.979 118.700 0.084 0.000 2.197 2121 N HA 0.387 5.118 4.740 -0.015 0.000 0.201 2121 N C 0.055 175.597 175.510 0.055 0.000 1.148 2121 N CA 0.626 53.710 53.050 0.058 0.000 0.883 2121 N CB 0.699 39.211 38.487 0.041 0.000 1.012 2121 N HN 0.959 nan 8.380 nan 0.000 0.507 2122 S N -2.610 113.125 115.700 0.058 0.000 2.643 2122 S HA 0.503 4.964 4.470 -0.015 0.000 0.270 2122 S C 0.879 175.504 174.600 0.041 0.000 1.166 2122 S CA -0.545 57.685 58.200 0.050 0.000 0.815 2122 S CB 0.882 64.108 63.200 0.043 0.000 1.139 2122 S HN -0.023 nan 8.310 nan 0.000 0.472 2123 G N 0.708 109.526 108.800 0.030 0.000 2.402 2123 G HA2 -0.023 3.928 3.960 -0.015 0.000 0.216 2123 G HA3 -0.023 3.928 3.960 -0.015 0.000 0.216 2123 G C 1.101 175.970 174.900 -0.053 0.000 1.162 2123 G CA 1.463 46.565 45.100 0.004 0.000 0.777 2123 G HN 0.789 nan 8.290 nan 0.000 0.539 2124 T N 1.165 115.672 114.554 -0.079 0.000 2.699 2124 T HA -0.122 4.219 4.350 -0.015 0.000 0.268 2124 T C 2.167 176.808 174.700 -0.099 0.000 1.036 2124 T CA 1.634 63.643 62.100 -0.152 0.000 1.147 2124 T CB -0.206 68.499 68.868 -0.272 0.000 0.862 2124 T HN 0.492 nan 8.240 nan 0.000 0.446 2125 E N 1.049 121.217 120.200 -0.053 0.000 2.077 2125 E HA -0.063 4.278 4.350 -0.015 0.000 0.193 2125 E C 2.659 179.228 176.600 -0.051 0.000 0.989 2125 E CA 1.001 57.379 56.400 -0.035 0.000 0.800 2125 E CB -0.259 29.448 29.700 0.012 0.000 0.746 2125 E HN 0.506 nan 8.360 nan 0.000 0.452 2126 A N 1.202 124.019 122.820 -0.005 0.000 1.858 2126 A HA -0.205 4.106 4.320 -0.015 0.000 0.216 2126 A C 2.514 180.026 177.584 -0.120 0.000 1.190 2126 A CA 1.436 53.474 52.037 0.003 0.000 0.617 2126 A CB -0.978 18.077 19.000 0.092 0.000 0.827 2126 A HN 0.367 nan 8.150 nan 0.000 0.443 2127 C N 0.037 119.288 119.300 -0.082 0.000 2.425 2127 C HA -0.125 4.326 4.460 -0.015 0.000 0.277 2127 C C 2.989 178.061 174.990 0.137 0.000 1.280 2127 C CA 1.369 60.347 59.018 -0.068 0.000 1.744 2127 C CB -1.356 26.222 27.740 -0.270 0.000 1.989 2127 C HN 0.805 nan 8.230 nan 0.000 0.491 2128 M N 0.934 120.588 119.600 0.090 0.000 2.319 2128 M HA 0.064 4.535 4.480 -0.015 0.000 0.265 2128 M C 2.068 178.289 176.300 -0.130 0.000 1.068 2128 M CA 2.133 57.455 55.300 0.036 0.000 1.118 2128 M CB -0.576 32.008 32.600 -0.027 0.000 1.395 2128 M HN 0.184 nan 8.290 nan 0.000 0.435 2129 A N 0.485 123.140 122.820 -0.275 0.000 1.975 2129 A HA 0.057 4.368 4.320 -0.015 0.000 0.215 2129 A C 2.183 179.421 177.584 -0.577 0.000 1.170 2129 A CA 1.119 52.850 52.037 -0.510 0.000 0.656 2129 A CB -0.761 17.703 19.000 -0.893 0.000 0.821 2129 A HN 0.353 nan 8.150 nan 0.000 0.449 2130 V N -0.127 119.500 119.914 -0.478 0.000 2.667 2130 V HA -0.092 4.019 4.120 -0.015 0.000 0.252 2130 V C 2.166 178.194 176.094 -0.109 0.000 1.065 2130 V CA 1.393 63.538 62.300 -0.258 0.000 1.083 2130 V CB -0.172 31.579 31.823 -0.121 0.000 0.692 2130 V HN 0.532 nan 8.190 nan 0.000 0.468 2131 L N 0.263 121.447 121.223 -0.065 0.000 2.093 2131 L HA -0.100 4.231 4.340 -0.015 0.000 0.208 2131 L C 2.510 179.327 176.870 -0.088 0.000 1.085 2131 L CA 2.187 56.999 54.840 -0.046 0.000 0.755 2131 L CB -0.983 41.017 42.059 -0.098 0.000 0.904 2131 L HN 0.347 nan 8.230 nan 0.000 0.435 2132 R N -0.446 119.987 120.500 -0.112 0.000 2.062 2132 R HA -0.161 4.171 4.340 -0.015 0.000 0.229 2132 R C 2.217 178.495 176.300 -0.038 0.000 1.128 2132 R CA 1.460 57.510 56.100 -0.083 0.000 0.960 2132 R CB -0.296 29.948 30.300 -0.094 0.000 0.855 2132 R HN 0.270 nan 8.270 nan 0.000 0.432 2133 I N 0.501 121.045 120.570 -0.043 0.000 2.361 2133 I HA -0.210 3.951 4.170 -0.015 0.000 0.251 2133 I C 2.021 178.171 176.117 0.055 0.000 1.133 2133 I CA 1.442 62.758 61.300 0.027 0.000 1.413 2133 I CB -0.115 37.914 38.000 0.048 0.000 1.073 2133 I HN 0.313 nan 8.210 nan 0.000 0.424 2134 M N -0.139 119.471 119.600 0.016 0.000 2.080 2134 M HA -0.245 4.226 4.480 -0.015 0.000 0.260 2134 M C 2.350 178.688 176.300 0.063 0.000 1.068 2134 M CA 1.822 57.144 55.300 0.036 0.000 1.109 2134 M CB -0.214 32.389 32.600 0.005 0.000 1.342 2134 M HN 0.192 nan 8.290 nan 0.000 0.405 2135 R N -0.577 119.938 120.500 0.024 0.000 2.093 2135 R HA 0.019 4.350 4.340 -0.015 0.000 0.224 2135 R C 2.200 178.521 176.300 0.035 0.000 1.101 2135 R CA 1.227 57.336 56.100 0.016 0.000 0.979 2135 R CB -0.576 29.710 30.300 -0.023 0.000 0.877 2135 R HN 0.394 nan 8.270 nan 0.000 0.441 2136 A N 0.870 123.719 122.820 0.048 0.000 1.902 2136 A HA -0.215 4.096 4.320 -0.015 0.000 0.217 2136 A C 2.003 179.632 177.584 0.074 0.000 1.181 2136 A CA 1.112 53.181 52.037 0.054 0.000 0.623 2136 A CB -0.657 18.381 19.000 0.063 0.000 0.818 2136 A HN 0.397 nan 8.150 nan 0.000 0.443 2137 Y N 1.390 121.692 120.300 0.004 0.000 2.163 2137 Y HA -0.189 4.352 4.550 -0.015 0.000 0.288 2137 Y C 2.938 178.842 175.900 0.007 0.000 1.136 2137 Y CA 2.539 60.644 58.100 0.007 0.000 1.147 2137 Y CB -0.430 38.035 38.460 0.009 0.000 0.987 2137 Y HN 0.427 nan 8.280 nan 0.000 0.509 2138 T N -3.555 111.048 114.554 0.082 0.000 3.014 2138 T HA 0.201 4.542 4.350 -0.015 0.000 0.263 2138 T C 1.844 176.524 174.700 -0.033 0.000 1.078 2138 T CA 1.025 63.132 62.100 0.012 0.000 1.135 2138 T CB -0.492 68.439 68.868 0.104 0.000 0.895 2138 T HN 0.696 nan 8.240 nan 0.000 0.480 2139 G N 1.593 110.381 108.800 -0.020 0.000 2.199 2139 G HA2 -0.242 3.709 3.960 -0.015 0.000 0.254 2139 G HA3 -0.242 3.709 3.960 -0.015 0.000 0.254 2139 G C 0.189 175.080 174.900 -0.016 0.000 0.982 2139 G CA 0.037 45.121 45.100 -0.026 0.000 0.632 2139 G HN 0.741 nan 8.290 nan 0.000 0.529 2140 R N 0.216 120.713 120.500 -0.005 0.000 2.486 2140 R HA 0.530 4.861 4.340 -0.015 0.000 0.286 2140 R C 0.331 176.615 176.300 -0.027 0.000 0.999 2140 R CA -0.549 55.543 56.100 -0.013 0.000 0.993 2140 R CB 0.874 31.172 30.300 -0.002 0.000 1.084 2140 R HN 0.017 nan 8.270 nan 0.000 0.487 2141 D N 1.594 121.970 120.400 -0.041 0.000 2.201 2141 D HA -0.019 4.612 4.640 -0.015 0.000 0.209 2141 D C -0.071 176.184 176.300 -0.076 0.000 0.961 2141 D CA 1.086 55.053 54.000 -0.055 0.000 0.861 2141 D CB 0.323 41.090 40.800 -0.054 0.000 0.997 2141 D HN 0.296 nan 8.370 nan 0.000 0.486 2142 K N 0.419 120.767 120.400 -0.087 0.000 2.414 2142 K HA 0.280 4.591 4.320 -0.015 0.000 0.272 2142 K C -0.285 176.238 176.600 -0.127 0.000 0.993 2142 K CA 0.045 56.262 56.287 -0.115 0.000 0.964 2142 K CB 1.125 33.543 32.500 -0.136 0.000 0.925 2142 K HN -0.073 nan 8.250 nan 0.000 0.487 2143 I N 2.067 122.555 120.570 -0.136 0.000 2.865 2143 I HA 0.361 4.522 4.170 -0.015 0.000 0.302 2143 I C -1.086 174.945 176.117 -0.142 0.000 1.140 2143 I CA -0.492 60.736 61.300 -0.121 0.000 1.021 2143 I CB 1.955 39.898 38.000 -0.095 0.000 1.233 2143 I HN 0.452 nan 8.210 nan 0.000 0.427 2144 I N 5.584 126.068 120.570 -0.144 0.000 2.436 2144 I HA 0.449 4.610 4.170 -0.015 0.000 0.289 2144 I C -0.744 175.253 176.117 -0.200 0.000 1.010 2144 I CA -0.628 60.551 61.300 -0.202 0.000 1.098 2144 I CB 1.417 39.260 38.000 -0.261 0.000 1.266 2144 I HN 0.517 nan 8.210 nan 0.000 0.434 2145 K N 4.793 125.059 120.400 -0.224 0.000 2.395 2145 K HA 0.713 5.024 4.320 -0.015 0.000 0.245 2145 K C -1.496 174.890 176.600 -0.357 0.000 1.017 2145 K CA -0.764 55.441 56.287 -0.136 0.000 0.852 2145 K CB 1.799 34.401 32.500 0.170 0.000 1.311 2145 K HN 0.172 nan 8.250 nan 0.000 0.452 2146 F N 0.683 120.761 119.950 0.214 0.000 2.450 2146 F HA 0.283 4.802 4.527 -0.013 0.000 0.332 2146 F C 0.544 176.398 175.800 0.090 0.000 1.093 2146 F CA -0.752 57.370 58.000 0.203 0.000 1.003 2146 F CB 1.759 40.989 39.000 0.382 0.000 1.151 2146 F HN 0.614 nan 8.300 nan 0.000 0.474 2147 E N 1.076 121.412 120.200 0.228 0.000 2.417 2147 E HA 0.334 4.675 4.350 -0.015 0.000 0.261 2147 E C 0.929 177.487 176.600 -0.071 0.000 1.000 2147 E CA 1.059 57.494 56.400 0.059 0.000 0.919 2147 E CB 0.330 30.103 29.700 0.122 0.000 0.955 2147 E HN 0.899 nan 8.360 nan 0.000 0.455 2148 G N 3.356 111.914 108.800 -0.405 0.000 2.313 2148 G HA2 -0.272 3.679 3.960 -0.015 0.000 0.215 2148 G HA3 -0.272 3.679 3.960 -0.015 0.000 0.215 2148 G C 0.335 175.035 174.900 -0.334 0.000 1.023 2148 G CA -0.064 44.663 45.100 -0.622 0.000 0.626 2148 G HN 0.667 nan 8.290 nan 0.000 0.503 2149 C N 0.471 119.656 119.300 -0.191 0.000 2.656 2149 C HA 0.628 5.079 4.460 -0.015 0.000 0.391 2149 C C 0.179 175.002 174.990 -0.277 0.000 1.300 2149 C CA 0.194 59.089 59.018 -0.205 0.000 2.302 2149 C CB 0.252 27.942 27.740 -0.083 0.000 2.655 2149 C HN 0.476 nan 8.230 nan 0.000 0.656 2150 Y N 1.475 121.431 120.300 -0.574 0.000 2.421 2150 Y HA 0.419 4.959 4.550 -0.016 0.000 0.339 2150 Y C 0.254 175.709 175.900 -0.742 0.000 0.996 2150 Y CA -0.480 57.292 58.100 -0.547 0.000 1.046 2150 Y CB 0.680 38.970 38.460 -0.283 0.000 1.226 2150 Y HN 0.792 nan 8.280 nan 0.000 0.445 2151 H N 4.137 122.608 119.070 -0.998 0.000 2.637 2151 H HA 0.473 5.019 4.556 -0.017 0.000 0.245 2151 H C 0.557 175.226 175.328 -1.098 0.000 1.190 2151 H CA 0.016 55.433 56.048 -1.051 0.000 0.934 2151 H CB 0.519 29.396 29.762 -1.474 0.000 1.950 2151 H HN 0.927 nan 8.280 nan 0.000 0.614 2152 G N 1.477 109.430 108.800 -1.411 0.000 2.707 2152 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.686 2152 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.686 2152 G C -0.160 174.538 174.900 -0.337 0.000 1.315 2152 G CA -0.473 44.203 45.100 -0.707 0.000 0.832 2152 G HN 0.666 nan 8.290 nan 0.000 0.573 2153 H N -0.992 118.086 119.070 0.015 0.000 2.713 2153 H HA 0.713 5.260 4.556 -0.015 0.000 0.294 2153 H C 0.775 176.163 175.328 0.100 0.000 1.366 2153 H CA 0.488 56.600 56.048 0.106 0.000 1.139 2153 H CB -0.161 29.674 29.762 0.120 0.000 1.487 2153 H HN 1.109 nan 8.280 nan 0.000 0.504 2154 A N 0.584 123.437 122.820 0.055 0.000 2.301 2154 A HA 0.137 4.448 4.320 -0.015 0.000 0.298 2154 A C 0.908 178.510 177.584 0.030 0.000 1.185 2154 A CA -0.440 51.622 52.037 0.041 0.000 0.830 2154 A CB 0.438 19.485 19.000 0.079 0.000 1.112 2154 A HN 0.582 nan 8.150 nan 0.000 0.508 2155 D N 2.182 122.578 120.400 -0.006 0.000 2.412 2155 D HA -0.321 4.310 4.640 -0.015 0.000 0.191 2155 D C 2.137 178.380 176.300 -0.095 0.000 1.019 2155 D CA 2.683 56.663 54.000 -0.033 0.000 0.866 2155 D CB -0.213 40.556 40.800 -0.052 0.000 0.966 2155 D HN 0.819 nan 8.370 nan 0.000 0.459 2156 M N -0.498 118.954 119.600 -0.246 0.000 2.149 2156 M HA -0.175 4.296 4.480 -0.015 0.000 0.261 2156 M C 2.010 178.147 176.300 -0.271 0.000 1.064 2156 M CA 1.736 56.834 55.300 -0.337 0.000 1.102 2156 M CB -1.051 31.213 32.600 -0.559 0.000 1.369 2156 M HN -0.089 nan 8.290 nan 0.000 0.408 2157 F N 1.609 121.543 119.950 -0.027 0.000 2.558 2157 F HA 0.255 4.773 4.527 -0.016 0.000 0.298 2157 F C 1.342 177.139 175.800 -0.005 0.000 1.119 2157 F CA 0.139 58.133 58.000 -0.011 0.000 1.451 2157 F CB -0.627 38.352 39.000 -0.036 0.000 1.091 2157 F HN 0.057 nan 8.300 nan 0.000 0.563 2158 L N 1.762 123.071 121.223 0.144 0.000 2.376 2158 L HA 0.219 4.550 4.340 -0.015 0.000 0.250 2158 L C -0.232 176.675 176.870 0.062 0.000 1.335 2158 L CA -0.099 54.806 54.840 0.109 0.000 1.214 2158 L CB -0.469 41.647 42.059 0.095 0.000 1.395 2158 L HN -0.093 nan 8.230 nan 0.000 0.424 2159 V N 2.722 122.673 119.914 0.062 0.000 2.770 2159 V HA 0.218 4.329 4.120 -0.015 0.000 0.280 2159 V C -0.482 175.628 176.094 0.026 0.000 1.189 2159 V CA -0.678 61.641 62.300 0.031 0.000 0.932 2159 V CB 1.196 33.028 31.823 0.015 0.000 1.065 2159 V HN 0.599 nan 8.190 nan 0.000 0.462 2160 K N 2.407 122.810 120.400 0.005 0.000 3.167 2160 K HA -0.147 4.164 4.320 -0.015 0.000 0.272 2160 K C 0.372 176.929 176.600 -0.072 0.000 1.137 2160 K CA 1.232 57.500 56.287 -0.031 0.000 0.800 2160 K CB -2.067 30.428 32.500 -0.008 0.000 1.253 2160 K HN 1.601 nan 8.250 nan 0.000 0.497 2161 A N 0.024 122.822 122.820 -0.037 0.000 2.267 2161 A HA 0.741 5.053 4.320 -0.015 0.000 0.276 2161 A C 1.116 178.625 177.584 -0.124 0.000 1.336 2161 A CA 0.589 52.628 52.037 0.004 0.000 0.815 2161 A CB 0.210 19.290 19.000 0.134 0.000 1.256 2161 A HN 0.535 nan 8.150 nan 0.000 0.512 2162 G N -3.355 105.423 108.800 -0.038 0.000 3.247 2162 G HA2 0.533 4.484 3.960 -0.015 0.000 0.226 2162 G HA3 0.533 4.484 3.960 -0.015 0.000 0.226 2162 G C 0.318 174.982 174.900 -0.393 0.000 1.220 2162 G CA 0.756 45.712 45.100 -0.241 0.000 0.875 2162 G HN 1.567 nan 8.290 nan 0.000 0.606 2163 S N -1.334 114.127 115.700 -0.399 0.000 4.150 2163 S HA -0.276 4.185 4.470 -0.015 0.000 0.575 2163 S C 1.915 176.353 174.600 -0.271 0.000 1.878 2163 S CA 2.227 60.162 58.200 -0.441 0.000 4.245 2163 S CB -1.659 60.987 63.200 -0.924 0.000 0.231 2163 S HN 1.851 nan 8.310 nan 0.000 0.469 2164 G N 0.200 108.819 108.800 -0.301 0.000 2.396 2164 G HA2 0.049 4.000 3.960 -0.015 0.000 0.214 2164 G HA3 0.049 4.000 3.960 -0.015 0.000 0.214 2164 G C 1.322 176.153 174.900 -0.115 0.000 1.166 2164 G CA 1.209 46.213 45.100 -0.160 0.000 0.793 2164 G HN 0.956 nan 8.290 nan 0.000 0.533 2165 V N 0.906 120.740 119.914 -0.134 0.000 2.913 2165 V HA 0.317 4.428 4.120 -0.015 0.000 0.260 2165 V C 2.257 178.285 176.094 -0.110 0.000 1.098 2165 V CA 1.989 64.238 62.300 -0.085 0.000 1.121 2165 V CB -0.108 31.685 31.823 -0.050 0.000 0.714 2165 V HN 0.351 nan 8.190 nan 0.000 0.487 2166 A N -1.567 121.149 122.820 -0.173 0.000 2.545 2166 A HA 0.420 4.731 4.320 -0.015 0.000 0.277 2166 A C 1.433 178.796 177.584 -0.368 0.000 1.301 2166 A CA 0.646 52.543 52.037 -0.233 0.000 0.935 2166 A CB 0.012 18.793 19.000 -0.365 0.000 1.093 2166 A HN 0.514 nan 8.150 nan 0.000 0.519 2167 T N -0.219 114.248 114.554 -0.144 0.000 3.463 2167 T HA 0.220 4.561 4.350 -0.015 0.000 0.203 2167 T C 0.567 175.312 174.700 0.075 0.000 0.955 2167 T CA 0.291 62.439 62.100 0.080 0.000 1.230 2167 T CB -0.425 68.524 68.868 0.136 0.000 1.392 2167 T HN 0.429 nan 8.240 nan 0.000 0.361 2168 L N 1.740 122.995 121.223 0.053 0.000 2.387 2168 L HA 0.685 5.016 4.340 -0.015 0.000 0.267 2168 L C 1.029 177.914 176.870 0.024 0.000 1.197 2168 L CA -0.631 54.242 54.840 0.055 0.000 1.070 2168 L CB -1.076 41.017 42.059 0.057 0.000 1.349 2168 L HN 0.570 nan 8.230 nan 0.000 0.422 2169 G N 2.765 111.574 108.800 0.015 0.000 2.652 2169 G HA2 -0.314 3.637 3.960 -0.015 0.000 0.318 2169 G HA3 -0.314 3.637 3.960 -0.015 0.000 0.318 2169 G C 0.069 174.965 174.900 -0.007 0.000 1.295 2169 G CA 0.151 45.254 45.100 0.004 0.000 0.999 2169 G HN 1.063 nan 8.290 nan 0.000 0.548 2170 L N -0.738 120.486 121.223 0.002 0.000 1.935 2170 L HA -0.080 4.251 4.340 -0.015 0.000 0.474 2170 L C -1.834 175.035 176.870 -0.001 0.000 1.002 2170 L CA 1.043 55.883 54.840 -0.000 0.000 1.232 2170 L CB -1.097 40.957 42.059 -0.009 0.000 1.316 2170 L HN 0.941 nan 8.230 nan 0.000 0.686 2171 P HA 0.446 nan 4.420 nan 0.000 0.328 2171 P C 0.034 177.341 177.300 0.012 0.000 1.288 2171 P CA -0.434 62.671 63.100 0.009 0.000 0.786 2171 P CB 0.927 32.634 31.700 0.011 0.000 1.388 2172 S N -0.865 114.844 115.700 0.014 0.000 2.650 2172 S HA 0.189 4.650 4.470 -0.015 0.000 0.251 2172 S C 0.742 175.354 174.600 0.020 0.000 1.325 2172 S CA 0.220 58.431 58.200 0.019 0.000 0.967 2172 S CB -0.594 62.615 63.200 0.015 0.000 1.000 2172 S HN 0.756 nan 8.310 nan 0.000 0.584 2173 S N 0.900 116.614 115.700 0.022 0.000 2.813 2173 S HA -0.175 4.286 4.470 -0.015 0.000 0.631 2173 S C -2.541 172.072 174.600 0.021 0.000 3.178 2173 S CA 0.797 59.008 58.200 0.020 0.000 3.497 2173 S CB -1.470 61.736 63.200 0.011 0.000 0.324 2173 S HN 0.713 nan 8.310 nan 0.000 1.724 2174 P HA 0.543 nan 4.420 nan 0.000 0.287 2174 P C 0.344 177.651 177.300 0.012 0.000 1.279 2174 P CA 0.570 63.677 63.100 0.011 0.000 0.867 2174 P CB 1.071 32.776 31.700 0.008 0.000 1.127 2175 G N -0.304 108.501 108.800 0.009 0.000 2.159 2175 G HA2 -0.142 3.809 3.960 -0.015 0.000 0.227 2175 G HA3 -0.142 3.809 3.960 -0.015 0.000 0.227 2175 G C -0.384 174.521 174.900 0.009 0.000 0.986 2175 G CA -0.140 44.966 45.100 0.009 0.000 0.651 2175 G HN 0.511 nan 8.290 nan 0.000 0.523 2176 V N 1.772 121.690 119.914 0.007 0.000 2.357 2176 V HA 0.480 4.591 4.120 -0.015 0.000 0.284 2176 V C -1.690 174.401 176.094 -0.006 0.000 1.018 2176 V CA -1.724 60.578 62.300 0.002 0.000 0.841 2176 V CB 1.569 33.394 31.823 0.005 0.000 0.991 2176 V HN 0.128 nan 8.190 nan 0.000 0.437 2177 P HA 0.151 nan 4.420 nan 0.000 0.265 2177 P C 0.745 178.034 177.300 -0.018 0.000 1.193 2177 P CA -0.100 62.992 63.100 -0.013 0.000 0.765 2177 P CB 0.631 32.322 31.700 -0.016 0.000 0.823 2178 K N 2.322 122.713 120.400 -0.016 0.000 2.103 2178 K HA -0.201 4.111 4.320 -0.015 0.000 0.207 2178 K C 1.577 178.161 176.600 -0.026 0.000 1.048 2178 K CA 1.494 57.770 56.287 -0.019 0.000 0.930 2178 K CB -0.156 32.335 32.500 -0.015 0.000 0.716 2178 K HN 0.426 nan 8.250 nan 0.000 0.444 2179 K N 0.418 120.802 120.400 -0.026 0.000 2.113 2179 K HA -0.154 4.157 4.320 -0.015 0.000 0.208 2179 K C 2.168 178.743 176.600 -0.041 0.000 1.047 2179 K CA 1.795 58.063 56.287 -0.031 0.000 0.928 2179 K CB -0.322 32.162 32.500 -0.027 0.000 0.716 2179 K HN 0.200 nan 8.250 nan 0.000 0.446 2180 T N 0.977 115.505 114.554 -0.043 0.000 2.520 2180 T HA -0.156 4.185 4.350 -0.015 0.000 0.258 2180 T C 2.016 176.674 174.700 -0.070 0.000 1.125 2180 T CA 2.330 64.395 62.100 -0.060 0.000 1.206 2180 T CB -0.750 68.085 68.868 -0.055 0.000 0.864 2180 T HN 0.475 nan 8.240 nan 0.000 0.400 2181 T N 1.008 115.527 114.554 -0.058 0.000 3.026 2181 T HA 0.029 4.370 4.350 -0.015 0.000 0.271 2181 T C 1.960 176.626 174.700 -0.056 0.000 1.149 2181 T CA 0.918 62.984 62.100 -0.057 0.000 1.088 2181 T CB -0.570 68.277 68.868 -0.034 0.000 0.857 2181 T HN 0.392 nan 8.240 nan 0.000 0.551 2182 A N 2.761 125.549 122.820 -0.054 0.000 1.898 2182 A HA -0.031 4.281 4.320 -0.015 0.000 0.216 2182 A C 2.212 179.756 177.584 -0.066 0.000 1.181 2182 A CA 0.976 52.982 52.037 -0.052 0.000 0.620 2182 A CB -0.477 18.497 19.000 -0.045 0.000 0.819 2182 A HN 0.491 nan 8.150 nan 0.000 0.442 2183 N N 0.519 119.173 118.700 -0.077 0.000 2.501 2183 N HA -0.002 4.729 4.740 -0.015 0.000 0.195 2183 N C -0.641 174.805 175.510 -0.106 0.000 1.213 2183 N CA 0.534 53.530 53.050 -0.090 0.000 0.864 2183 N CB -0.005 38.427 38.487 -0.091 0.000 0.999 2183 N HN 0.296 nan 8.380 nan 0.000 0.454 2184 T N 1.713 116.208 114.554 -0.098 0.000 2.788 2184 T HA 0.306 4.647 4.350 -0.015 0.000 0.296 2184 T C -0.267 174.380 174.700 -0.088 0.000 1.009 2184 T CA -0.564 61.478 62.100 -0.096 0.000 0.949 2184 T CB 1.444 70.262 68.868 -0.083 0.000 0.946 2184 T HN -0.175 nan 8.240 nan 0.000 0.453 2185 L N 3.440 124.594 121.223 -0.114 0.000 2.264 2185 L HA 0.486 4.817 4.340 -0.015 0.000 0.289 2185 L C 0.844 177.635 176.870 -0.131 0.000 1.044 2185 L CA -0.075 54.690 54.840 -0.126 0.000 0.807 2185 L CB 0.882 42.836 42.059 -0.175 0.000 1.192 2185 L HN 0.603 nan 8.230 nan 0.000 0.425 2186 T N 2.449 116.945 114.554 -0.096 0.000 2.934 2186 T HA 0.755 5.096 4.350 -0.015 0.000 0.283 2186 T C -0.308 174.338 174.700 -0.090 0.000 1.005 2186 T CA -0.039 62.008 62.100 -0.089 0.000 1.041 2186 T CB 0.840 69.691 68.868 -0.028 0.000 1.042 2186 T HN 0.699 nan 8.240 nan 0.000 0.505 2187 T N 3.629 118.134 114.554 -0.082 0.000 2.886 2187 T HA 0.498 4.839 4.350 -0.015 0.000 0.330 2187 T C -2.945 171.886 174.700 0.217 0.000 1.488 2187 T CA -0.728 61.383 62.100 0.017 0.000 1.054 2187 T CB 1.764 70.604 68.868 -0.047 0.000 1.348 2187 T HN 0.374 nan 8.240 nan 0.000 0.489 2188 P HA 0.218 nan 4.420 nan 0.000 0.271 2188 P C -1.097 176.473 177.300 0.449 0.000 1.216 2188 P CA -0.255 63.021 63.100 0.294 0.000 0.776 2188 P CB 0.214 32.013 31.700 0.165 0.000 0.881 2189 Y N 3.037 123.463 120.300 0.210 0.000 2.457 2189 Y HA -0.011 4.538 4.550 -0.002 0.000 0.341 2189 Y C 1.264 176.935 175.900 -0.382 0.000 1.240 2189 Y CA 0.671 58.726 58.100 -0.074 0.000 1.437 2189 Y CB -0.310 38.083 38.460 -0.111 0.000 1.328 2189 Y HN 0.573 nan 8.280 nan 0.000 0.588 2190 N N 2.098 119.762 118.700 -1.727 0.000 2.725 2190 N HA -0.260 4.471 4.740 -0.015 0.000 0.249 2190 N C -1.589 173.428 175.510 -0.823 0.000 1.103 2190 N CA 0.857 52.796 53.050 -1.852 0.000 0.707 2190 N CB -0.689 37.291 38.487 -0.845 0.000 1.043 2190 N HN 0.478 nan 8.380 nan 0.000 0.553 2191 D N 0.567 120.735 120.400 -0.385 0.000 2.400 2191 D HA 0.224 4.855 4.640 -0.015 0.000 0.272 2191 D C 0.893 177.351 176.300 0.264 0.000 1.220 2191 D CA -0.415 53.596 54.000 0.017 0.000 0.897 2191 D CB 0.398 41.246 40.800 0.080 0.000 1.134 2191 D HN 0.125 nan 8.370 nan 0.000 0.507 2192 L N 1.536 122.931 121.223 0.286 0.000 2.042 2192 L HA -0.145 4.186 4.340 -0.015 0.000 0.210 2192 L C 2.174 179.159 176.870 0.192 0.000 1.076 2192 L CA 0.942 55.953 54.840 0.286 0.000 0.749 2192 L CB 0.019 42.208 42.059 0.215 0.000 0.893 2192 L HN 0.280 nan 8.230 nan 0.000 0.432 2193 E N 0.168 120.449 120.200 0.136 0.000 2.085 2193 E HA -0.221 4.120 4.350 -0.015 0.000 0.194 2193 E C 2.309 178.978 176.600 0.115 0.000 0.994 2193 E CA 1.424 57.887 56.400 0.105 0.000 0.801 2193 E CB -0.359 29.383 29.700 0.070 0.000 0.743 2193 E HN 0.483 nan 8.360 nan 0.000 0.453 2194 A N 0.943 123.839 122.820 0.128 0.000 1.940 2194 A HA -0.147 4.164 4.320 -0.015 0.000 0.219 2194 A C 2.603 180.267 177.584 0.134 0.000 1.176 2194 A CA 1.553 53.662 52.037 0.120 0.000 0.631 2194 A CB -0.540 18.541 19.000 0.135 0.000 0.814 2194 A HN 0.149 nan 8.150 nan 0.000 0.446 2195 V N 0.031 120.063 119.914 0.197 0.000 2.323 2195 V HA -0.204 3.907 4.120 -0.015 0.000 0.244 2195 V C 2.343 178.581 176.094 0.240 0.000 1.041 2195 V CA 2.019 64.449 62.300 0.217 0.000 1.025 2195 V CB -0.618 31.388 31.823 0.305 0.000 0.656 2195 V HN 0.496 nan 8.190 nan 0.000 0.451 2196 K N 0.402 120.916 120.400 0.190 0.000 2.152 2196 K HA -0.160 4.151 4.320 -0.015 0.000 0.206 2196 K C 2.191 178.888 176.600 0.162 0.000 1.048 2196 K CA 1.512 57.896 56.287 0.162 0.000 0.933 2196 K CB -0.317 32.252 32.500 0.114 0.000 0.721 2196 K HN 0.500 nan 8.250 nan 0.000 0.447 2197 A N 1.151 124.046 122.820 0.125 0.000 1.930 2197 A HA -0.029 4.282 4.320 -0.015 0.000 0.215 2197 A C 2.050 179.675 177.584 0.068 0.000 1.176 2197 A CA 0.692 52.783 52.037 0.089 0.000 0.632 2197 A CB -0.362 18.676 19.000 0.063 0.000 0.819 2197 A HN 0.134 nan 8.150 nan 0.000 0.445 2198 L N -1.890 119.361 121.223 0.046 0.000 2.191 2198 L HA -0.151 4.180 4.340 -0.015 0.000 0.212 2198 L C 2.244 179.037 176.870 -0.128 0.000 1.103 2198 L CA 1.091 55.895 54.840 -0.061 0.000 0.769 2198 L CB -0.413 41.568 42.059 -0.130 0.000 0.908 2198 L HN 0.408 nan 8.230 nan 0.000 0.438 2199 F N -0.613 119.275 119.950 -0.104 0.000 2.367 2199 F HA -0.061 4.455 4.527 -0.017 0.000 0.298 2199 F C 2.461 178.235 175.800 -0.043 0.000 1.094 2199 F CA 0.909 58.808 58.000 -0.169 0.000 1.409 2199 F CB -0.268 38.444 39.000 -0.480 0.000 1.064 2199 F HN -0.010 nan 8.300 nan 0.000 0.528 2200 A N -0.096 122.826 122.820 0.170 0.000 1.897 2200 A HA -0.130 4.181 4.320 -0.015 0.000 0.215 2200 A C 1.994 179.620 177.584 0.069 0.000 1.181 2200 A CA 1.404 53.520 52.037 0.130 0.000 0.620 2200 A CB -0.591 18.475 19.000 0.110 0.000 0.821 2200 A HN 0.367 nan 8.150 nan 0.000 0.443 2201 E N 0.221 120.442 120.200 0.034 0.000 2.204 2201 E HA -0.056 4.286 4.350 -0.015 0.000 0.194 2201 E C -0.167 176.426 176.600 -0.011 0.000 0.989 2201 E CA 0.710 57.114 56.400 0.007 0.000 0.824 2201 E CB 0.012 29.706 29.700 -0.010 0.000 0.756 2201 E HN 0.503 nan 8.360 nan 0.000 0.477 2202 N N 1.458 120.140 118.700 -0.029 0.000 2.757 2202 N HA 0.146 4.877 4.740 -0.015 0.000 0.296 2202 N C -2.723 172.778 175.510 -0.015 0.000 1.874 2202 N CA -0.969 52.051 53.050 -0.051 0.000 0.885 2202 N CB 1.173 39.587 38.487 -0.122 0.000 1.242 2202 N HN 0.066 nan 8.380 nan 0.000 0.488 2203 P HA 0.030 nan 4.420 nan 0.000 0.267 2203 P C 0.985 178.329 177.300 0.074 0.000 1.205 2203 P CA 0.884 64.043 63.100 0.098 0.000 0.765 2203 P CB 0.731 32.486 31.700 0.091 0.000 0.828 2204 G N 3.362 112.231 108.800 0.115 0.000 2.175 2204 G HA2 -0.291 3.660 3.960 -0.015 0.000 0.265 2204 G HA3 -0.291 3.660 3.960 -0.015 0.000 0.265 2204 G C 0.666 175.589 174.900 0.039 0.000 0.979 2204 G CA 0.457 45.607 45.100 0.082 0.000 0.663 2204 G HN 0.619 nan 8.290 nan 0.000 0.533 2205 E N -0.925 119.278 120.200 0.006 0.000 2.447 2205 E HA 0.279 4.620 4.350 -0.015 0.000 0.204 2205 E C 0.858 177.410 176.600 -0.079 0.000 0.977 2205 E CA -0.262 56.116 56.400 -0.037 0.000 0.950 2205 E CB 0.713 30.380 29.700 -0.055 0.000 0.975 2205 E HN 0.563 nan 8.360 nan 0.000 0.496 2206 I N 1.861 122.355 120.570 -0.127 0.000 2.301 2206 I HA 0.097 4.258 4.170 -0.015 0.000 0.292 2206 I C 1.165 177.251 176.117 -0.051 0.000 1.046 2206 I CA -0.324 60.842 61.300 -0.224 0.000 1.282 2206 I CB 1.413 38.995 38.000 -0.697 0.000 1.409 2206 I HN 0.048 nan 8.210 nan 0.000 0.484 2207 A N 5.298 128.097 122.820 -0.034 0.000 1.930 2207 A HA 0.343 4.654 4.320 -0.015 0.000 0.217 2207 A C 1.131 178.764 177.584 0.081 0.000 1.175 2207 A CA 1.328 53.387 52.037 0.037 0.000 0.627 2207 A CB -0.194 18.815 19.000 0.015 0.000 0.815 2207 A HN 0.857 nan 8.150 nan 0.000 0.443 2208 G N -3.261 105.570 108.800 0.050 0.000 2.320 2208 G HA2 0.442 4.393 3.960 -0.015 0.000 0.296 2208 G HA3 0.442 4.393 3.960 -0.015 0.000 0.296 2208 G C -1.675 173.267 174.900 0.071 0.000 1.306 2208 G CA -0.002 45.163 45.100 0.108 0.000 0.836 2208 G HN 0.537 nan 8.290 nan 0.000 0.517 2209 V N 0.597 120.583 119.914 0.120 0.000 2.604 2209 V HA 0.723 4.835 4.120 -0.015 0.000 0.305 2209 V C -0.206 175.976 176.094 0.147 0.000 1.043 2209 V CA -0.697 61.676 62.300 0.121 0.000 0.888 2209 V CB 1.591 33.538 31.823 0.208 0.000 0.995 2209 V HN 0.806 nan 8.190 nan 0.000 0.429 2210 I N 6.037 126.686 120.570 0.132 0.000 2.603 2210 I HA 0.836 4.997 4.170 -0.015 0.000 0.300 2210 I C -1.085 175.195 176.117 0.273 0.000 1.017 2210 I CA -0.657 60.700 61.300 0.094 0.000 1.098 2210 I CB 1.676 39.597 38.000 -0.131 0.000 1.279 2210 I HN 0.784 nan 8.210 nan 0.000 0.437 2211 L N 2.951 124.351 121.223 0.295 0.000 3.020 2211 L HA 0.541 4.872 4.340 -0.015 0.000 0.273 2211 L C -1.779 175.258 176.870 0.278 0.000 1.018 2211 L CA -1.004 54.123 54.840 0.479 0.000 0.950 2211 L CB 1.816 44.196 42.059 0.535 0.000 1.510 2211 L HN 0.483 nan 8.230 nan 0.000 0.404 2212 E N 1.457 121.789 120.200 0.221 0.000 2.130 2212 E HA 0.261 4.602 4.350 -0.015 0.000 0.284 2212 E C -2.008 174.548 176.600 -0.074 0.000 1.018 2212 E CA -1.655 54.771 56.400 0.043 0.000 0.817 2212 E CB 1.543 31.236 29.700 -0.012 0.000 1.078 2212 E HN 0.460 nan 8.360 nan 0.000 0.396 2213 P HA -0.136 nan 4.420 nan 0.000 0.219 2213 P C -0.240 176.954 177.300 -0.177 0.000 1.144 2213 P CA 1.370 64.158 63.100 -0.520 0.000 0.806 2213 P CB 0.309 31.563 31.700 -0.743 0.000 0.771 2214 I N -1.864 118.636 120.570 -0.116 0.000 2.649 2214 I HA 0.113 4.274 4.170 -0.015 0.000 0.289 2214 I C -0.616 175.410 176.117 -0.151 0.000 1.222 2214 I CA -1.224 60.012 61.300 -0.107 0.000 1.046 2214 I CB 2.973 40.902 38.000 -0.117 0.000 1.272 2214 I HN -0.485 nan 8.210 nan 0.000 0.425 2215 V N 4.699 124.442 119.914 -0.285 0.000 2.686 2215 V HA 0.408 4.519 4.120 -0.015 0.000 0.295 2215 V C 1.018 177.021 176.094 -0.151 0.000 1.055 2215 V CA 0.350 62.473 62.300 -0.295 0.000 1.050 2215 V CB 1.208 32.729 31.823 -0.503 0.000 0.984 2215 V HN 1.061 nan 8.190 nan 0.000 0.482 2216 G N 2.340 111.125 108.800 -0.025 0.000 3.040 2216 G HA2 0.035 3.986 3.960 -0.015 0.000 0.214 2216 G HA3 0.035 3.986 3.960 -0.015 0.000 0.214 2216 G C 0.522 175.463 174.900 0.069 0.000 1.093 2216 G CA -0.211 44.940 45.100 0.084 0.000 0.931 2216 G HN 0.654 nan 8.290 nan 0.000 0.632 2217 N N 0.784 119.499 118.700 0.026 0.000 2.295 2217 N HA 0.270 5.002 4.740 -0.015 0.000 0.221 2217 N C 0.487 176.012 175.510 0.026 0.000 1.129 2217 N CA 0.040 53.095 53.050 0.007 0.000 0.836 2217 N CB 0.741 39.212 38.487 -0.026 0.000 1.040 2217 N HN 0.088 nan 8.380 nan 0.000 0.494 2218 S N -0.818 114.959 115.700 0.129 0.000 3.051 2218 S HA 0.432 4.893 4.470 -0.015 0.000 0.250 2218 S C 0.304 175.200 174.600 0.495 0.000 0.906 2218 S CA -0.189 58.223 58.200 0.353 0.000 1.234 2218 S CB 0.923 64.270 63.200 0.245 0.000 1.175 2218 S HN 0.496 nan 8.310 nan 0.000 0.635 2219 G N 1.883 110.848 108.800 0.275 0.000 2.566 2219 G HA2 -0.033 3.918 3.960 -0.015 0.000 0.599 2219 G HA3 -0.033 3.918 3.960 -0.015 0.000 0.599 2219 G C -0.968 174.103 174.900 0.284 0.000 1.292 2219 G CA -1.036 44.149 45.100 0.141 0.000 0.922 2219 G HN 0.288 nan 8.290 nan 0.000 0.514 2220 F N 0.711 120.722 119.950 0.101 0.000 2.445 2220 F HA 0.740 5.261 4.527 -0.010 0.000 0.359 2220 F C 0.667 176.590 175.800 0.204 0.000 1.101 2220 F CA -0.646 57.413 58.000 0.097 0.000 1.177 2220 F CB 0.335 39.346 39.000 0.018 0.000 1.110 2220 F HN 0.423 nan 8.300 nan 0.000 0.522 2221 I N 7.707 127.995 120.570 -0.470 0.000 2.534 2221 I HA 0.268 4.429 4.170 -0.015 0.000 0.286 2221 I C -1.008 174.846 176.117 -0.438 0.000 1.094 2221 I CA -1.078 60.007 61.300 -0.357 0.000 1.055 2221 I CB 1.831 39.676 38.000 -0.258 0.000 1.225 2221 I HN 0.396 nan 8.210 nan 0.000 0.435 2222 V N 4.218 123.947 119.914 -0.307 0.000 2.713 2222 V HA 0.694 4.806 4.120 -0.015 0.000 0.307 2222 V C -2.413 173.720 176.094 0.065 0.000 1.052 2222 V CA -2.121 60.110 62.300 -0.115 0.000 0.967 2222 V CB 1.145 32.952 31.823 -0.026 0.000 1.019 2222 V HN 0.497 nan 8.190 nan 0.000 0.459 2223 P HA 0.237 nan 4.420 nan 0.000 0.271 2223 P C -0.809 176.514 177.300 0.038 0.000 1.218 2223 P CA 0.009 63.178 63.100 0.114 0.000 0.780 2223 P CB 0.722 32.589 31.700 0.278 0.000 0.901 2224 D N 0.283 120.660 120.400 -0.039 0.000 2.383 2224 D HA 0.270 4.901 4.640 -0.015 0.000 0.248 2224 D C 0.405 176.724 176.300 0.033 0.000 1.170 2224 D CA -0.082 53.909 54.000 -0.015 0.000 0.977 2224 D CB 0.566 41.346 40.800 -0.032 0.000 1.120 2224 D HN 0.373 nan 8.370 nan 0.000 0.481 2225 A N -0.167 122.657 122.820 0.007 0.000 2.546 2225 A HA 0.406 4.717 4.320 -0.015 0.000 0.243 2225 A C 1.413 179.024 177.584 0.045 0.000 1.063 2225 A CA 0.709 52.748 52.037 0.003 0.000 0.757 2225 A CB -0.447 18.546 19.000 -0.012 0.000 0.991 2225 A HN 0.808 nan 8.150 nan 0.000 0.503 2226 G N 1.218 110.045 108.800 0.046 0.000 2.189 2226 G HA2 -0.356 3.595 3.960 -0.015 0.000 0.267 2226 G HA3 -0.356 3.595 3.960 -0.015 0.000 0.267 2226 G C 0.746 175.708 174.900 0.104 0.000 0.975 2226 G CA 1.078 46.213 45.100 0.059 0.000 0.644 2226 G HN 1.335 nan 8.290 nan 0.000 0.537 2227 F N 0.969 120.892 119.950 -0.045 0.000 2.060 2227 F HA 0.209 4.725 4.527 -0.019 0.000 0.295 2227 F C 2.537 178.313 175.800 -0.040 0.000 1.120 2227 F CA 2.053 60.006 58.000 -0.078 0.000 1.205 2227 F CB -0.545 38.350 39.000 -0.174 0.000 0.986 2227 F HN 0.174 nan 8.300 nan 0.000 0.470 2228 L N -0.095 121.037 121.223 -0.152 0.000 2.017 2228 L HA -0.196 4.135 4.340 -0.015 0.000 0.208 2228 L C 2.352 179.191 176.870 -0.052 0.000 1.073 2228 L CA 1.663 56.409 54.840 -0.157 0.000 0.745 2228 L CB -0.927 41.178 42.059 0.077 0.000 0.894 2228 L HN 0.073 nan 8.230 nan 0.000 0.432 2229 E N 0.508 120.713 120.200 0.009 0.000 2.130 2229 E HA -0.193 4.148 4.350 -0.015 0.000 0.196 2229 E C 2.145 178.733 176.600 -0.020 0.000 0.998 2229 E CA 1.378 57.786 56.400 0.012 0.000 0.806 2229 E CB -0.556 29.157 29.700 0.022 0.000 0.738 2229 E HN 0.512 nan 8.360 nan 0.000 0.459 2230 G N 0.268 109.044 108.800 -0.041 0.000 2.394 2230 G HA2 -0.184 3.767 3.960 -0.015 0.000 0.215 2230 G HA3 -0.184 3.767 3.960 -0.015 0.000 0.215 2230 G C 1.461 176.317 174.900 -0.074 0.000 1.165 2230 G CA 0.334 45.410 45.100 -0.040 0.000 0.784 2230 G HN 0.169 nan 8.290 nan 0.000 0.535 2231 L N -0.147 120.979 121.223 -0.162 0.000 2.265 2231 L HA 0.020 4.351 4.340 -0.015 0.000 0.215 2231 L C 2.957 179.800 176.870 -0.045 0.000 1.117 2231 L CA 0.421 55.191 54.840 -0.117 0.000 0.782 2231 L CB -0.242 41.697 42.059 -0.201 0.000 0.914 2231 L HN 0.102 nan 8.230 nan 0.000 0.441 2232 R N 0.379 120.853 120.500 -0.044 0.000 2.127 2232 R HA -0.071 4.260 4.340 -0.015 0.000 0.217 2232 R C 1.900 178.175 176.300 -0.042 0.000 1.074 2232 R CA 1.035 57.112 56.100 -0.039 0.000 0.991 2232 R CB 0.039 30.318 30.300 -0.036 0.000 0.895 2232 R HN 0.442 nan 8.270 nan 0.000 0.450 2233 E N 0.193 120.369 120.200 -0.040 0.000 2.046 2233 E HA -0.117 4.224 4.350 -0.015 0.000 0.190 2233 E C 1.980 178.548 176.600 -0.053 0.000 0.982 2233 E CA 1.021 57.396 56.400 -0.041 0.000 0.800 2233 E CB -0.136 29.546 29.700 -0.030 0.000 0.756 2233 E HN 0.253 nan 8.360 nan 0.000 0.449 2234 I N 1.281 121.811 120.570 -0.066 0.000 2.315 2234 I HA -0.229 3.932 4.170 -0.015 0.000 0.248 2234 I C 2.247 178.254 176.117 -0.182 0.000 1.117 2234 I CA 1.619 62.852 61.300 -0.112 0.000 1.404 2234 I CB -0.190 37.713 38.000 -0.162 0.000 1.071 2234 I HN 0.141 nan 8.210 nan 0.000 0.419 2235 T N 0.372 114.841 114.554 -0.143 0.000 2.737 2235 T HA -0.154 4.187 4.350 -0.015 0.000 0.265 2235 T C 1.970 176.661 174.700 -0.015 0.000 1.038 2235 T CA 1.496 63.548 62.100 -0.080 0.000 1.144 2235 T CB -0.948 67.934 68.868 0.024 0.000 0.866 2235 T HN 0.367 nan 8.240 nan 0.000 0.434 2236 L N 1.028 122.237 121.223 -0.025 0.000 2.013 2236 L HA -0.169 4.162 4.340 -0.015 0.000 0.212 2236 L C 3.060 179.909 176.870 -0.035 0.000 1.073 2236 L CA 1.891 56.719 54.840 -0.020 0.000 0.753 2236 L CB -0.702 41.337 42.059 -0.033 0.000 0.890 2236 L HN 0.369 nan 8.230 nan 0.000 0.432 2237 E N -0.605 119.552 120.200 -0.072 0.000 2.114 2237 E HA -0.262 4.079 4.350 -0.015 0.000 0.199 2237 E C 1.302 177.735 176.600 -0.279 0.000 1.008 2237 E CA 1.727 58.015 56.400 -0.185 0.000 0.810 2237 E CB -0.177 29.365 29.700 -0.263 0.000 0.739 2237 E HN 0.649 nan 8.360 nan 0.000 0.456 2238 H N -0.356 118.620 119.070 -0.157 0.000 2.507 2238 H HA 0.175 4.721 4.556 -0.017 0.000 0.294 2238 H C -0.764 174.578 175.328 0.023 0.000 1.064 2238 H CA -0.156 55.855 56.048 -0.062 0.000 1.138 2238 H CB 0.057 29.771 29.762 -0.079 0.000 1.515 2238 H HN 0.037 nan 8.280 nan 0.000 0.547 2239 D N 0.623 121.076 120.400 0.089 0.000 2.802 2239 D HA -0.148 4.483 4.640 -0.015 0.000 0.229 2239 D C -0.489 175.900 176.300 0.147 0.000 1.203 2239 D CA 0.837 54.894 54.000 0.095 0.000 0.712 2239 D CB -0.590 40.254 40.800 0.073 0.000 0.973 2239 D HN 0.634 nan 8.370 nan 0.000 0.407 2240 A N 0.637 123.551 122.820 0.158 0.000 2.413 2240 A HA 0.782 5.093 4.320 -0.015 0.000 0.307 2240 A C -0.199 177.463 177.584 0.130 0.000 1.087 2240 A CA -0.782 51.370 52.037 0.191 0.000 0.750 2240 A CB 1.231 20.426 19.000 0.325 0.000 1.296 2240 A HN 0.224 nan 8.150 nan 0.000 0.423 2241 L N 0.824 122.115 121.223 0.113 0.000 2.417 2241 L HA 0.402 4.733 4.340 -0.015 0.000 0.268 2241 L C -0.463 176.434 176.870 0.044 0.000 1.158 2241 L CA -0.556 54.311 54.840 0.045 0.000 0.819 2241 L CB 0.853 42.925 42.059 0.021 0.000 1.112 2241 L HN 0.635 nan 8.230 nan 0.000 0.458 2242 L N 3.333 124.547 121.223 -0.015 0.000 2.298 2242 L HA 0.534 4.865 4.340 -0.015 0.000 0.284 2242 L C -0.661 176.176 176.870 -0.054 0.000 1.013 2242 L CA -0.177 54.656 54.840 -0.011 0.000 0.824 2242 L CB 1.625 43.636 42.059 -0.079 0.000 1.221 2242 L HN 0.224 nan 8.230 nan 0.000 0.418 2243 V N 5.526 125.478 119.914 0.063 0.000 2.459 2243 V HA 0.485 4.596 4.120 -0.015 0.000 0.295 2243 V C -0.685 175.606 176.094 0.329 0.000 1.029 2243 V CA -0.471 61.878 62.300 0.080 0.000 0.874 2243 V CB 1.483 33.327 31.823 0.035 0.000 0.985 2243 V HN 0.467 nan 8.190 nan 0.000 0.438 2244 F N 2.648 122.585 119.950 -0.022 0.000 2.388 2244 F HA 0.393 4.910 4.527 -0.017 0.000 0.358 2244 F C 0.366 176.156 175.800 -0.016 0.000 1.122 2244 F CA -1.689 56.306 58.000 -0.008 0.000 1.056 2244 F CB 1.351 40.339 39.000 -0.020 0.000 1.155 2244 F HN 0.502 nan 8.300 nan 0.000 0.461 2245 D N 3.804 124.289 120.400 0.141 0.000 2.453 2245 D HA 0.066 4.697 4.640 -0.015 0.000 0.223 2245 D C 0.239 176.588 176.300 0.081 0.000 1.183 2245 D CA 0.167 54.217 54.000 0.083 0.000 0.933 2245 D CB 0.354 41.232 40.800 0.130 0.000 1.038 2245 D HN 0.522 nan 8.370 nan 0.000 0.513 2246 E N 2.857 123.105 120.200 0.080 0.000 2.349 2246 E HA 0.047 4.388 4.350 -0.015 0.000 0.201 2246 E C 1.525 178.171 176.600 0.076 0.000 1.087 2246 E CA -0.142 56.292 56.400 0.057 0.000 1.128 2246 E CB 0.922 30.645 29.700 0.038 0.000 1.188 2246 E HN 0.338 nan 8.360 nan 0.000 0.445 2247 V N 0.808 120.771 119.914 0.081 0.000 2.295 2247 V HA -0.286 3.825 4.120 -0.015 0.000 0.246 2247 V C 2.306 178.456 176.094 0.094 0.000 1.049 2247 V CA 1.857 64.210 62.300 0.089 0.000 1.024 2247 V CB -0.323 31.543 31.823 0.071 0.000 0.648 2247 V HN 0.382 nan 8.190 nan 0.000 0.447 2248 M N 0.282 119.943 119.600 0.102 0.000 2.216 2248 M HA -0.114 4.357 4.480 -0.015 0.000 0.264 2248 M C 2.352 178.716 176.300 0.107 0.000 1.080 2248 M CA 2.084 57.451 55.300 0.112 0.000 1.153 2248 M CB -0.151 32.569 32.600 0.200 0.000 1.356 2248 M HN 0.566 nan 8.290 nan 0.000 0.432 2249 T N -1.629 112.988 114.554 0.105 0.000 2.942 2249 T HA 0.105 4.446 4.350 -0.015 0.000 0.265 2249 T C 1.217 175.956 174.700 0.064 0.000 1.062 2249 T CA 0.462 62.616 62.100 0.090 0.000 1.139 2249 T CB -1.376 67.508 68.868 0.027 0.000 0.883 2249 T HN 0.458 nan 8.240 nan 0.000 0.468 2250 G N 0.653 109.488 108.800 0.057 0.000 2.224 2250 G HA2 0.283 4.234 3.960 -0.015 0.000 0.239 2250 G HA3 0.283 4.234 3.960 -0.015 0.000 0.239 2250 G C -0.061 174.946 174.900 0.178 0.000 1.240 2250 G CA -0.421 44.693 45.100 0.023 0.000 0.896 2250 G HN 0.441 nan 8.290 nan 0.000 0.496 2251 F N -0.668 119.287 119.950 0.009 0.000 3.048 2251 F HA -0.261 4.258 4.527 -0.013 0.000 0.287 2251 F C 1.861 177.791 175.800 0.217 0.000 0.796 2251 F CA 1.556 59.601 58.000 0.075 0.000 1.111 2251 F CB -1.058 37.945 39.000 0.004 0.000 1.320 2251 F HN 0.618 nan 8.300 nan 0.000 0.430 2252 R N -0.068 120.616 120.500 0.306 0.000 2.306 2252 R HA 0.240 4.571 4.340 -0.015 0.000 0.183 2252 R C 1.940 178.441 176.300 0.335 0.000 0.937 2252 R CA 0.212 56.489 56.100 0.296 0.000 1.118 2252 R CB 0.102 30.506 30.300 0.173 0.000 1.224 2252 R HN 0.193 nan 8.270 nan 0.000 0.597 2253 I N 1.628 122.324 120.570 0.209 0.000 2.614 2253 I HA 0.078 4.239 4.170 -0.015 0.000 0.258 2253 I C 0.707 176.894 176.117 0.117 0.000 1.189 2253 I CA 1.056 62.447 61.300 0.153 0.000 1.462 2253 I CB -0.511 37.498 38.000 0.016 0.000 1.092 2253 I HN 0.334 nan 8.210 nan 0.000 0.442 2254 A N -2.037 120.812 122.820 0.048 0.000 2.549 2254 A HA 0.241 4.552 4.320 -0.015 0.000 0.291 2254 A C 0.101 177.474 177.584 -0.353 0.000 1.034 2254 A CA -0.582 51.253 52.037 -0.338 0.000 0.655 2254 A CB -0.246 18.612 19.000 -0.237 0.000 1.299 2254 A HN 0.027 nan 8.150 nan 0.000 0.427 2255 Y N 1.032 120.857 120.300 -0.792 0.000 2.114 2255 Y HA -0.038 4.502 4.550 -0.015 0.000 0.282 2255 Y C 2.103 177.791 175.900 -0.353 0.000 1.165 2255 Y CA 3.327 61.271 58.100 -0.260 0.000 1.148 2255 Y CB -0.089 38.277 38.460 -0.157 0.000 0.972 2255 Y HN 0.790 nan 8.280 nan 0.000 0.504 2256 G N -0.693 107.969 108.800 -0.230 0.000 3.181 2256 G HA2 0.387 4.338 3.960 -0.015 0.000 0.219 2256 G HA3 0.387 4.338 3.960 -0.015 0.000 0.219 2256 G C 0.688 175.409 174.900 -0.299 0.000 1.182 2256 G CA 0.386 45.309 45.100 -0.295 0.000 0.791 2256 G HN 0.857 nan 8.290 nan 0.000 0.537 2257 G N -0.772 107.844 108.800 -0.307 0.000 2.698 2257 G HA2 -0.233 3.718 3.960 -0.015 0.000 0.233 2257 G HA3 -0.233 3.718 3.960 -0.015 0.000 0.233 2257 G C 0.957 175.749 174.900 -0.181 0.000 1.352 2257 G CA -0.207 44.765 45.100 -0.214 0.000 0.879 2257 G HN 0.563 nan 8.290 nan 0.000 0.567 2258 V N 1.390 121.189 119.914 -0.192 0.000 2.490 2258 V HA -0.219 3.893 4.120 -0.015 0.000 0.250 2258 V C 2.986 178.981 176.094 -0.166 0.000 1.061 2258 V CA 3.151 65.246 62.300 -0.342 0.000 1.064 2258 V CB -0.772 30.808 31.823 -0.405 0.000 0.670 2258 V HN 0.820 nan 8.190 nan 0.000 0.461 2259 Q N 0.726 120.556 119.800 0.049 0.000 2.226 2259 Q HA -0.267 4.064 4.340 -0.015 0.000 0.204 2259 Q C 2.066 178.101 176.000 0.058 0.000 0.975 2259 Q CA 2.012 57.912 55.803 0.162 0.000 0.866 2259 Q CB -0.382 28.454 28.738 0.163 0.000 0.915 2259 Q HN 0.815 nan 8.270 nan 0.000 0.440 2260 E N 1.499 121.692 120.200 -0.012 0.000 2.140 2260 E HA -0.127 4.214 4.350 -0.015 0.000 0.191 2260 E C 1.960 178.579 176.600 0.031 0.000 0.973 2260 E CA 0.502 56.898 56.400 -0.006 0.000 0.829 2260 E CB 0.129 29.801 29.700 -0.047 0.000 0.781 2260 E HN 0.277 nan 8.360 nan 0.000 0.466 2261 K N -0.130 120.271 120.400 0.001 0.000 2.057 2261 K HA -0.038 4.273 4.320 -0.015 0.000 0.206 2261 K C 1.222 178.084 176.600 0.437 0.000 1.050 2261 K CA 1.304 57.662 56.287 0.118 0.000 0.935 2261 K CB -0.044 32.440 32.500 -0.026 0.000 0.715 2261 K HN 0.187 nan 8.250 nan 0.000 0.439 2262 F N 0.219 120.196 119.950 0.046 0.000 2.639 2262 F HA 0.223 4.743 4.527 -0.011 0.000 0.300 2262 F C 0.918 176.750 175.800 0.053 0.000 1.109 2262 F CA -0.319 57.711 58.000 0.050 0.000 1.335 2262 F CB 0.669 39.703 39.000 0.056 0.000 1.014 2262 F HN 0.212 nan 8.300 nan 0.000 0.537 2263 G N 2.027 110.958 108.800 0.217 0.000 2.422 2263 G HA2 -0.292 3.659 3.960 -0.015 0.000 0.301 2263 G HA3 -0.292 3.659 3.960 -0.015 0.000 0.301 2263 G C -0.369 174.597 174.900 0.111 0.000 0.981 2263 G CA 0.076 45.252 45.100 0.126 0.000 0.994 2263 G HN 0.218 nan 8.290 nan 0.000 0.514 2264 V N 0.475 120.477 119.914 0.147 0.000 2.407 2264 V HA 0.501 4.612 4.120 -0.015 0.000 0.291 2264 V C 0.404 176.500 176.094 0.005 0.000 1.018 2264 V CA -0.452 61.915 62.300 0.113 0.000 0.842 2264 V CB 1.912 33.875 31.823 0.232 0.000 0.996 2264 V HN 0.319 nan 8.190 nan 0.000 0.426 2265 T N 8.181 122.679 114.554 -0.093 0.000 2.733 2265 T HA 0.428 4.770 4.350 -0.015 0.000 0.294 2265 T C -2.221 172.280 174.700 -0.332 0.000 0.956 2265 T CA -0.841 61.145 62.100 -0.190 0.000 0.987 2265 T CB 1.574 70.372 68.868 -0.116 0.000 0.920 2265 T HN 0.525 nan 8.240 nan 0.000 0.470 2266 P HA 0.402 nan 4.420 nan 0.000 0.284 2266 P C 0.029 177.138 177.300 -0.317 0.000 1.292 2266 P CA -0.540 62.211 63.100 -0.582 0.000 0.800 2266 P CB 1.507 32.581 31.700 -1.042 0.000 1.188 2267 D N -0.860 119.392 120.400 -0.247 0.000 2.162 2267 D HA 0.058 4.689 4.640 -0.015 0.000 0.205 2267 D C 0.380 176.579 176.300 -0.169 0.000 0.964 2267 D CA 1.398 55.286 54.000 -0.188 0.000 0.847 2267 D CB 0.143 40.842 40.800 -0.168 0.000 0.988 2267 D HN 0.105 nan 8.370 nan 0.000 0.480 2268 L N -0.459 120.676 121.223 -0.146 0.000 2.371 2268 L HA 0.421 4.752 4.340 -0.015 0.000 0.262 2268 L C -0.199 176.637 176.870 -0.058 0.000 1.006 2268 L CA -0.596 54.193 54.840 -0.085 0.000 0.818 2268 L CB 2.188 44.220 42.059 -0.046 0.000 1.354 2268 L HN -0.203 nan 8.230 nan 0.000 0.415 2269 T N -0.554 113.994 114.554 -0.011 0.000 2.993 2269 T HA 0.688 5.029 4.350 -0.015 0.000 0.312 2269 T C -0.728 174.008 174.700 0.061 0.000 1.115 2269 T CA -0.238 61.885 62.100 0.039 0.000 1.027 2269 T CB 1.249 70.137 68.868 0.034 0.000 1.116 2269 T HN 0.771 nan 8.240 nan 0.000 0.464 2270 T N 3.035 117.632 114.554 0.073 0.000 2.902 2270 T HA 0.813 5.154 4.350 -0.015 0.000 0.283 2270 T C -0.203 174.548 174.700 0.085 0.000 1.009 2270 T CA -0.771 61.377 62.100 0.080 0.000 1.051 2270 T CB 0.920 69.812 68.868 0.041 0.000 0.999 2270 T HN 0.621 nan 8.240 nan 0.000 0.474 2271 L N 0.878 122.165 121.223 0.105 0.000 2.303 2271 L HA 0.910 5.242 4.340 -0.015 0.000 0.256 2271 L C 0.611 177.560 176.870 0.131 0.000 1.034 2271 L CA -0.945 53.976 54.840 0.135 0.000 0.832 2271 L CB 2.256 44.429 42.059 0.190 0.000 1.403 2271 L HN 1.095 nan 8.230 nan 0.000 0.419 2272 G N -0.887 107.994 108.800 0.136 0.000 2.364 2272 G HA2 0.272 4.223 3.960 -0.015 0.000 0.286 2272 G HA3 0.272 4.223 3.960 -0.015 0.000 0.286 2272 G C -0.672 174.278 174.900 0.083 0.000 1.241 2272 G CA -0.010 45.152 45.100 0.104 0.000 0.887 2272 G HN 0.525 nan 8.290 nan 0.000 0.484 2273 K N -1.078 119.359 120.400 0.062 0.000 6.999 2273 K HA -0.346 3.965 4.320 -0.015 0.000 0.344 2273 K C 2.132 178.738 176.600 0.010 0.000 0.603 2273 K CA 2.491 58.803 56.287 0.042 0.000 1.181 2273 K CB -1.320 31.200 32.500 0.034 0.000 0.790 2273 K HN 0.385 nan 8.250 nan 0.000 0.953 2274 I N 1.466 122.037 120.570 0.003 0.000 2.264 2274 I HA -0.255 3.906 4.170 -0.015 0.000 0.248 2274 I C 2.285 178.324 176.117 -0.130 0.000 1.111 2274 I CA 1.896 63.170 61.300 -0.044 0.000 1.382 2274 I CB -0.469 37.531 38.000 0.001 0.000 1.060 2274 I HN 0.397 nan 8.210 nan 0.000 0.418 2275 I N -1.705 118.778 120.570 -0.144 0.000 3.241 2275 I HA 0.010 4.171 4.170 -0.015 0.000 0.280 2275 I C 1.959 177.997 176.117 -0.131 0.000 1.320 2275 I CA 1.141 62.310 61.300 -0.219 0.000 1.413 2275 I CB -0.793 37.124 38.000 -0.139 0.000 1.060 2275 I HN 0.082 nan 8.210 nan 0.000 0.500 2276 G N 0.695 109.449 108.800 -0.077 0.000 2.887 2276 G HA2 0.260 4.211 3.960 -0.015 0.000 0.211 2276 G HA3 0.260 4.211 3.960 -0.015 0.000 0.211 2276 G C 1.415 176.277 174.900 -0.062 0.000 1.152 2276 G CA 0.298 45.360 45.100 -0.063 0.000 0.769 2276 G HN 0.632 nan 8.290 nan 0.000 0.541 2277 G N -0.445 108.314 108.800 -0.068 0.000 2.225 2277 G HA2 0.142 4.093 3.960 -0.015 0.000 0.272 2277 G HA3 0.142 4.093 3.960 -0.015 0.000 0.272 2277 G C 1.140 176.035 174.900 -0.009 0.000 0.996 2277 G CA 1.353 46.421 45.100 -0.053 0.000 0.710 2277 G HN 1.854 nan 8.290 nan 0.000 0.522 2278 G N -2.930 105.874 108.800 0.007 0.000 2.198 2278 G HA2 0.144 4.095 3.960 -0.015 0.000 0.156 2278 G HA3 0.144 4.095 3.960 -0.015 0.000 0.156 2278 G C -0.090 174.826 174.900 0.026 0.000 1.012 2278 G CA 0.209 45.332 45.100 0.038 0.000 0.692 2278 G HN 1.082 nan 8.290 nan 0.000 0.492 2279 L N 0.341 121.566 121.223 0.004 0.000 2.301 2279 L HA 0.711 5.042 4.340 -0.015 0.000 0.264 2279 L C -2.297 174.574 176.870 0.002 0.000 1.016 2279 L CA -2.368 52.470 54.840 -0.003 0.000 0.821 2279 L CB 1.460 43.501 42.059 -0.030 0.000 1.346 2279 L HN -0.185 nan 8.230 nan 0.000 0.429 2280 P HA 0.233 nan 4.420 nan 0.000 0.269 2280 P C -1.071 176.235 177.300 0.010 0.000 1.263 2280 P CA 0.196 63.307 63.100 0.018 0.000 0.813 2280 P CB 0.643 32.356 31.700 0.020 0.000 0.868 2281 V N 3.214 123.142 119.914 0.023 0.000 3.087 2281 V HA 0.915 5.026 4.120 -0.015 0.000 0.306 2281 V C -0.268 175.873 176.094 0.079 0.000 1.187 2281 V CA -0.377 61.943 62.300 0.033 0.000 0.999 2281 V CB 2.523 34.342 31.823 -0.007 0.000 1.049 2281 V HN 0.641 nan 8.190 nan 0.000 0.431 2282 G N 2.317 111.197 108.800 0.134 0.000 2.682 2282 G HA2 0.995 4.946 3.960 -0.015 0.000 0.290 2282 G HA3 0.995 4.946 3.960 -0.015 0.000 0.290 2282 G C -1.279 173.754 174.900 0.222 0.000 1.425 2282 G CA -0.154 45.037 45.100 0.152 0.000 0.807 2282 G HN 1.720 nan 8.290 nan 0.000 0.482 2283 A N -0.608 122.319 122.820 0.177 0.000 2.583 2283 A HA 0.715 5.026 4.320 -0.015 0.000 0.298 2283 A C -1.624 176.028 177.584 0.113 0.000 1.055 2283 A CA -0.650 51.439 52.037 0.087 0.000 0.714 2283 A CB 0.720 19.732 19.000 0.019 0.000 1.277 2283 A HN 2.136 nan 8.150 nan 0.000 0.406 2284 Y N 0.129 120.376 120.300 -0.088 0.000 2.406 2284 Y HA 0.887 5.427 4.550 -0.015 0.000 0.340 2284 Y C 0.198 176.029 175.900 -0.115 0.000 0.975 2284 Y CA -0.320 57.733 58.100 -0.077 0.000 1.056 2284 Y CB 1.493 39.919 38.460 -0.057 0.000 1.210 2284 Y HN 1.345 nan 8.280 nan 0.000 0.448 2285 G N 0.458 109.227 108.800 -0.053 0.000 2.706 2285 G HA2 0.745 4.696 3.960 -0.015 0.000 0.307 2285 G HA3 0.745 4.696 3.960 -0.015 0.000 0.307 2285 G C -0.502 174.350 174.900 -0.081 0.000 1.307 2285 G CA -0.475 44.538 45.100 -0.145 0.000 0.790 2285 G HN 1.653 nan 8.290 nan 0.000 0.503 2286 G N -0.865 107.872 108.800 -0.105 0.000 2.292 2286 G HA2 0.218 4.169 3.960 -0.015 0.000 0.194 2286 G HA3 0.218 4.169 3.960 -0.015 0.000 0.194 2286 G C -0.621 174.215 174.900 -0.106 0.000 1.329 2286 G CA -0.107 44.932 45.100 -0.101 0.000 1.100 2286 G HN 0.755 nan 8.290 nan 0.000 0.470 2287 K N 1.427 121.754 120.400 -0.121 0.000 2.367 2287 K HA 0.086 4.397 4.320 -0.015 0.000 0.275 2287 K C 1.893 178.426 176.600 -0.110 0.000 1.125 2287 K CA 0.603 56.816 56.287 -0.122 0.000 1.133 2287 K CB 0.212 32.615 32.500 -0.162 0.000 0.875 2287 K HN 0.603 nan 8.250 nan 0.000 0.467 2288 R N 2.963 123.416 120.500 -0.078 0.000 2.191 2288 R HA -0.260 4.071 4.340 -0.015 0.000 0.248 2288 R C 1.314 177.589 176.300 -0.041 0.000 1.127 2288 R CA 2.491 58.557 56.100 -0.056 0.000 0.943 2288 R CB -0.144 30.134 30.300 -0.038 0.000 0.891 2288 R HN 0.793 nan 8.270 nan 0.000 0.439 2289 E N 0.205 120.387 120.200 -0.031 0.000 2.463 2289 E HA -0.178 4.163 4.350 -0.015 0.000 0.201 2289 E C 1.849 178.464 176.600 0.025 0.000 1.045 2289 E CA 1.182 57.593 56.400 0.018 0.000 0.872 2289 E CB -0.214 29.516 29.700 0.050 0.000 0.797 2289 E HN 0.597 nan 8.360 nan 0.000 0.538 2290 I N -0.196 120.307 120.570 -0.112 0.000 2.927 2290 I HA -0.048 4.113 4.170 -0.015 0.000 0.268 2290 I C 2.288 178.386 176.117 -0.033 0.000 1.153 2290 I CA 0.141 61.320 61.300 -0.201 0.000 1.459 2290 I CB -0.176 37.552 38.000 -0.453 0.000 1.149 2290 I HN -0.049 nan 8.210 nan 0.000 0.443 2291 M N 0.517 120.092 119.600 -0.043 0.000 2.229 2291 M HA -0.115 4.356 4.480 -0.015 0.000 0.264 2291 M C 2.084 178.389 176.300 0.008 0.000 1.063 2291 M CA 1.361 56.648 55.300 -0.021 0.000 1.114 2291 M CB -1.007 31.548 32.600 -0.074 0.000 1.387 2291 M HN 0.216 nan 8.290 nan 0.000 0.420 2292 Q N 0.219 120.029 119.800 0.017 0.000 2.449 2292 Q HA -0.082 4.249 4.340 -0.015 0.000 0.214 2292 Q C 1.816 177.849 176.000 0.056 0.000 0.986 2292 Q CA 0.992 56.813 55.803 0.031 0.000 0.893 2292 Q CB -0.661 28.099 28.738 0.037 0.000 0.940 2292 Q HN 0.390 nan 8.270 nan 0.000 0.477 2293 L N -0.750 120.522 121.223 0.081 0.000 2.554 2293 L HA 0.009 4.340 4.340 -0.015 0.000 0.226 2293 L C 0.390 177.314 176.870 0.090 0.000 1.137 2293 L CA 0.345 55.242 54.840 0.095 0.000 0.863 2293 L CB 0.061 42.201 42.059 0.135 0.000 0.985 2293 L HN -0.155 nan 8.230 nan 0.000 0.451 2294 V N 0.708 120.670 119.914 0.081 0.000 2.488 2294 V HA 0.419 4.530 4.120 -0.015 0.000 0.277 2294 V C 0.890 177.025 176.094 0.068 0.000 1.046 2294 V CA -0.993 61.359 62.300 0.087 0.000 0.986 2294 V CB 0.620 32.487 31.823 0.072 0.000 0.989 2294 V HN 0.246 nan 8.190 nan 0.000 0.475 2295 A N 7.008 129.882 122.820 0.090 0.000 2.531 2295 A HA 0.392 4.703 4.320 -0.015 0.000 0.236 2295 A C -1.328 176.299 177.584 0.072 0.000 1.062 2295 A CA -0.694 51.407 52.037 0.105 0.000 0.760 2295 A CB -0.180 18.937 19.000 0.196 0.000 0.995 2295 A HN 0.797 nan 8.150 nan 0.000 0.501 2296 P HA 0.233 nan 4.420 nan 0.000 0.257 2296 P C 0.831 178.163 177.300 0.053 0.000 1.325 2296 P CA 0.711 63.855 63.100 0.073 0.000 0.850 2296 P CB 0.569 32.308 31.700 0.066 0.000 1.324 2297 A N -0.360 122.486 122.820 0.045 0.000 1.903 2297 A HA 0.408 4.719 4.320 -0.015 0.000 0.213 2297 A C 1.388 178.998 177.584 0.044 0.000 1.185 2297 A CA 1.294 53.353 52.037 0.036 0.000 0.628 2297 A CB -0.816 18.198 19.000 0.024 0.000 0.830 2297 A HN 0.327 nan 8.150 nan 0.000 0.446 2298 G N -2.018 106.815 108.800 0.056 0.000 3.013 2298 G HA2 0.494 4.445 3.960 -0.015 0.000 0.278 2298 G HA3 0.494 4.445 3.960 -0.015 0.000 0.278 2298 G C -2.033 172.910 174.900 0.072 0.000 1.353 2298 G CA -0.365 44.772 45.100 0.061 0.000 1.043 2298 G HN -0.015 nan 8.290 nan 0.000 0.523 2299 P HA 0.026 nan 4.420 nan 0.000 0.231 2299 P C 0.847 178.205 177.300 0.098 0.000 1.168 2299 P CA 0.355 63.498 63.100 0.070 0.000 0.779 2299 P CB 0.328 32.056 31.700 0.047 0.000 0.844 2300 M N 0.910 120.570 119.600 0.101 0.000 2.429 2300 M HA 0.076 4.547 4.480 -0.015 0.000 0.334 2300 M C -0.696 175.695 176.300 0.152 0.000 1.560 2300 M CA -0.595 54.772 55.300 0.111 0.000 1.291 2300 M CB -0.271 32.383 32.600 0.090 0.000 1.754 2300 M HN -0.177 nan 8.290 nan 0.000 0.456 2301 Y N 5.296 125.615 120.300 0.032 0.000 2.425 2301 Y HA 0.178 4.720 4.550 -0.015 0.000 0.331 2301 Y C -0.372 175.553 175.900 0.042 0.000 1.157 2301 Y CA 0.616 58.737 58.100 0.035 0.000 1.372 2301 Y CB 0.420 38.894 38.460 0.023 0.000 1.253 2301 Y HN 0.620 nan 8.280 nan 0.000 0.536 2302 Q N 4.769 124.183 119.800 -0.645 0.000 2.364 2302 Q HA 0.603 4.934 4.340 -0.015 0.000 0.251 2302 Q C -2.217 173.465 176.000 -0.531 0.000 0.927 2302 Q CA -0.410 55.094 55.803 -0.498 0.000 0.924 2302 Q CB 1.426 30.101 28.738 -0.105 0.000 1.419 2302 Q HN 0.899 nan 8.270 nan 0.000 0.427 2303 A N 1.523 124.039 122.820 -0.507 0.000 2.485 2303 A HA 1.058 5.369 4.320 -0.015 0.000 0.292 2303 A C -0.701 176.830 177.584 -0.088 0.000 1.147 2303 A CA -0.142 51.744 52.037 -0.252 0.000 0.750 2303 A CB 2.114 20.992 19.000 -0.203 0.000 1.331 2303 A HN 0.756 nan 8.150 nan 0.000 0.419 2304 G N -0.958 107.831 108.800 -0.017 0.000 2.761 2304 G HA2 0.476 4.427 3.960 -0.015 0.000 0.296 2304 G HA3 0.476 4.427 3.960 -0.015 0.000 0.296 2304 G C -0.007 174.911 174.900 0.029 0.000 1.416 2304 G CA 0.435 45.544 45.100 0.016 0.000 1.105 2304 G HN 0.658 nan 8.290 nan 0.000 0.565 2305 T N 2.380 116.953 114.554 0.031 0.000 2.770 2305 T HA 0.014 4.355 4.350 -0.015 0.000 0.258 2305 T C 1.884 176.598 174.700 0.023 0.000 1.039 2305 T CA 0.605 62.725 62.100 0.033 0.000 1.143 2305 T CB -0.016 68.872 68.868 0.034 0.000 0.866 2305 T HN 0.245 nan 8.240 nan 0.000 0.428 2306 L N 1.998 123.229 121.223 0.014 0.000 2.629 2306 L HA 0.279 4.610 4.340 -0.015 0.000 0.230 2306 L C 0.460 177.322 176.870 -0.014 0.000 1.151 2306 L CA 0.253 55.089 54.840 -0.007 0.000 0.924 2306 L CB -0.935 41.119 42.059 -0.009 0.000 1.137 2306 L HN 0.169 nan 8.230 nan 0.000 0.457 2307 S N 0.114 115.821 115.700 0.012 0.000 2.549 2307 S HA 0.301 4.762 4.470 -0.015 0.000 0.286 2307 S C 1.328 175.931 174.600 0.005 0.000 1.314 2307 S CA 0.467 58.685 58.200 0.031 0.000 1.062 2307 S CB 0.929 64.169 63.200 0.067 0.000 0.865 2307 S HN 0.628 nan 8.310 nan 0.000 0.498 2308 G N 2.627 111.409 108.800 -0.029 0.000 2.203 2308 G HA2 -0.297 3.654 3.960 -0.015 0.000 0.263 2308 G HA3 -0.297 3.654 3.960 -0.015 0.000 0.263 2308 G C 0.101 174.897 174.900 -0.172 0.000 1.012 2308 G CA 0.175 45.202 45.100 -0.123 0.000 0.749 2308 G HN 0.929 nan 8.290 nan 0.000 0.512 2309 N N 0.645 119.241 118.700 -0.174 0.000 2.454 2309 N HA 0.148 4.879 4.740 -0.015 0.000 0.254 2309 N C -0.217 175.115 175.510 -0.296 0.000 1.228 2309 N CA -0.615 52.289 53.050 -0.243 0.000 0.900 2309 N CB 1.437 39.811 38.487 -0.188 0.000 1.089 2309 N HN 0.214 nan 8.380 nan 0.000 0.449 2310 P HA -0.255 nan 4.420 nan 0.000 0.219 2310 P C 1.747 178.910 177.300 -0.227 0.000 1.161 2310 P CA 1.505 64.384 63.100 -0.367 0.000 0.909 2310 P CB 0.224 31.571 31.700 -0.588 0.000 0.793 2311 L N -0.764 120.337 121.223 -0.204 0.000 1.989 2311 L HA -0.187 4.144 4.340 -0.015 0.000 0.211 2311 L C 2.945 179.735 176.870 -0.132 0.000 1.071 2311 L CA 1.990 56.748 54.840 -0.135 0.000 0.749 2311 L CB -1.270 40.724 42.059 -0.108 0.000 0.890 2311 L HN -0.013 nan 8.230 nan 0.000 0.431 2312 A N -0.620 122.110 122.820 -0.150 0.000 1.902 2312 A HA -0.212 4.099 4.320 -0.015 0.000 0.217 2312 A C 2.241 179.700 177.584 -0.207 0.000 1.181 2312 A CA 1.520 53.464 52.037 -0.155 0.000 0.623 2312 A CB -0.380 18.529 19.000 -0.152 0.000 0.818 2312 A HN 0.314 nan 8.150 nan 0.000 0.443 2313 M N -0.259 119.187 119.600 -0.256 0.000 2.279 2313 M HA -0.084 4.387 4.480 -0.015 0.000 0.264 2313 M C 2.032 178.216 176.300 -0.194 0.000 1.062 2313 M CA 1.748 56.870 55.300 -0.296 0.000 1.099 2313 M CB -1.821 30.602 32.600 -0.295 0.000 1.394 2313 M HN 0.431 nan 8.290 nan 0.000 0.426 2314 T N 0.931 115.396 114.554 -0.148 0.000 2.809 2314 T HA 0.066 4.407 4.350 -0.015 0.000 0.260 2314 T C 1.964 176.605 174.700 -0.098 0.000 1.039 2314 T CA 1.384 63.422 62.100 -0.102 0.000 1.141 2314 T CB -0.218 68.603 68.868 -0.079 0.000 0.869 2314 T HN 0.450 nan 8.240 nan 0.000 0.437 2315 A N 1.478 124.237 122.820 -0.102 0.000 1.908 2315 A HA 0.032 4.343 4.320 -0.015 0.000 0.218 2315 A C 2.564 180.079 177.584 -0.115 0.000 1.181 2315 A CA 2.054 54.036 52.037 -0.091 0.000 0.627 2315 A CB -1.391 17.563 19.000 -0.078 0.000 0.818 2315 A HN 0.513 nan 8.150 nan 0.000 0.445 2316 G N -0.268 108.446 108.800 -0.144 0.000 2.402 2316 G HA2 -0.144 3.807 3.960 -0.015 0.000 0.216 2316 G HA3 -0.144 3.807 3.960 -0.015 0.000 0.216 2316 G C 1.549 176.355 174.900 -0.157 0.000 1.162 2316 G CA 1.009 46.005 45.100 -0.174 0.000 0.777 2316 G HN 0.463 nan 8.290 nan 0.000 0.539 2317 I N 0.452 120.948 120.570 -0.123 0.000 2.127 2317 I HA -0.192 3.969 4.170 -0.015 0.000 0.241 2317 I C 2.710 178.788 176.117 -0.066 0.000 1.075 2317 I CA 1.696 62.950 61.300 -0.077 0.000 1.334 2317 I CB -0.109 37.856 38.000 -0.059 0.000 1.040 2317 I HN 0.123 nan 8.210 nan 0.000 0.405 2318 K N 0.613 120.966 120.400 -0.078 0.000 2.097 2318 K HA -0.149 4.162 4.320 -0.015 0.000 0.206 2318 K C 1.928 178.457 176.600 -0.119 0.000 1.049 2318 K CA 1.857 58.092 56.287 -0.086 0.000 0.933 2318 K CB -0.350 32.096 32.500 -0.089 0.000 0.717 2318 K HN 0.221 nan 8.250 nan 0.000 0.442 2319 T N 0.778 115.254 114.554 -0.130 0.000 2.737 2319 T HA -0.069 4.272 4.350 -0.015 0.000 0.265 2319 T C 1.452 176.096 174.700 -0.094 0.000 1.038 2319 T CA 1.219 63.233 62.100 -0.143 0.000 1.144 2319 T CB -0.162 68.616 68.868 -0.150 0.000 0.866 2319 T HN 0.033 nan 8.240 nan 0.000 0.434 2320 L N 1.222 122.391 121.223 -0.090 0.000 2.141 2320 L HA 0.003 4.334 4.340 -0.015 0.000 0.209 2320 L C 2.439 179.398 176.870 0.149 0.000 1.094 2320 L CA 1.499 56.365 54.840 0.044 0.000 0.763 2320 L CB -0.686 41.376 42.059 0.004 0.000 0.908 2320 L HN 0.323 nan 8.230 nan 0.000 0.437 2321 E N -0.622 119.608 120.200 0.049 0.000 2.072 2321 E HA -0.199 4.142 4.350 -0.015 0.000 0.191 2321 E C 2.289 178.901 176.600 0.019 0.000 0.985 2321 E CA 0.986 57.410 56.400 0.039 0.000 0.801 2321 E CB -0.209 29.493 29.700 0.003 0.000 0.750 2321 E HN 0.442 nan 8.360 nan 0.000 0.452 2322 L N 0.621 121.828 121.223 -0.026 0.000 2.093 2322 L HA -0.165 4.166 4.340 -0.015 0.000 0.208 2322 L C 2.341 179.216 176.870 0.008 0.000 1.085 2322 L CA 0.765 55.579 54.840 -0.044 0.000 0.755 2322 L CB -0.234 41.731 42.059 -0.156 0.000 0.904 2322 L HN 0.145 nan 8.230 nan 0.000 0.435 2323 L N -0.819 120.442 121.223 0.063 0.000 2.465 2323 L HA -0.096 4.235 4.340 -0.015 0.000 0.224 2323 L C 2.369 179.353 176.870 0.189 0.000 1.145 2323 L CA 0.598 55.524 54.840 0.144 0.000 0.834 2323 L CB -0.319 41.923 42.059 0.306 0.000 0.944 2323 L HN 0.168 nan 8.230 nan 0.000 0.451 2324 R N -0.650 119.904 120.500 0.091 0.000 2.297 2324 R HA 0.024 4.355 4.340 -0.015 0.000 0.197 2324 R C 0.341 176.635 176.300 -0.011 0.000 0.943 2324 R CA -0.093 55.980 56.100 -0.044 0.000 1.038 2324 R CB 0.260 30.507 30.300 -0.088 0.000 0.957 2324 R HN 0.291 nan 8.270 nan 0.000 0.484 2325 Q N 1.406 121.220 119.800 0.022 0.000 2.421 2325 Q HA 0.111 4.442 4.340 -0.015 0.000 0.255 2325 Q C -2.138 173.884 176.000 0.036 0.000 1.013 2325 Q CA -1.709 54.106 55.803 0.019 0.000 0.895 2325 Q CB 0.065 28.812 28.738 0.014 0.000 1.271 2325 Q HN 0.105 nan 8.270 nan 0.000 0.460 2326 P HA 0.069 nan 4.420 nan 0.000 0.271 2326 P C 0.420 177.755 177.300 0.058 0.000 1.216 2326 P CA 0.509 63.637 63.100 0.046 0.000 0.776 2326 P CB 0.721 32.440 31.700 0.032 0.000 0.881 2327 G N 2.004 110.858 108.800 0.090 0.000 2.199 2327 G HA2 -0.307 3.644 3.960 -0.015 0.000 0.254 2327 G HA3 -0.307 3.644 3.960 -0.015 0.000 0.254 2327 G C 1.113 176.092 174.900 0.132 0.000 0.982 2327 G CA 0.658 45.823 45.100 0.109 0.000 0.632 2327 G HN 0.483 nan 8.290 nan 0.000 0.529 2328 T N 0.263 114.877 114.554 0.099 0.000 2.516 2328 T HA -0.230 4.111 4.350 -0.015 0.000 0.261 2328 T C 1.893 176.590 174.700 -0.005 0.000 1.130 2328 T CA 2.277 64.381 62.100 0.007 0.000 1.193 2328 T CB -0.397 68.426 68.868 -0.075 0.000 0.864 2328 T HN 0.463 nan 8.240 nan 0.000 0.410 2329 Y N 1.568 121.949 120.300 0.136 0.000 2.293 2329 Y HA -0.041 4.500 4.550 -0.015 0.000 0.291 2329 Y C 2.574 178.545 175.900 0.120 0.000 1.137 2329 Y CA 0.913 59.093 58.100 0.133 0.000 1.202 2329 Y CB -0.470 38.065 38.460 0.124 0.000 0.990 2329 Y HN 0.318 nan 8.280 nan 0.000 0.537 2330 E N -0.757 119.595 120.200 0.252 0.000 2.058 2330 E HA -0.255 4.086 4.350 -0.015 0.000 0.194 2330 E C 1.867 178.551 176.600 0.141 0.000 0.997 2330 E CA 1.634 58.137 56.400 0.172 0.000 0.801 2330 E CB -0.678 29.112 29.700 0.149 0.000 0.746 2330 E HN 0.583 nan 8.360 nan 0.000 0.450 2331 Y N 0.949 121.280 120.300 0.051 0.000 2.145 2331 Y HA -0.182 4.360 4.550 -0.014 0.000 0.286 2331 Y C 1.822 177.733 175.900 0.019 0.000 1.145 2331 Y CA 1.419 59.535 58.100 0.026 0.000 1.148 2331 Y CB -0.180 38.287 38.460 0.010 0.000 0.981 2331 Y HN -0.034 nan 8.280 nan 0.000 0.507 2332 L N 0.086 121.369 121.223 0.100 0.000 1.989 2332 L HA -0.271 4.060 4.340 -0.015 0.000 0.211 2332 L C 2.485 179.323 176.870 -0.054 0.000 1.071 2332 L CA 1.971 56.818 54.840 0.011 0.000 0.749 2332 L CB -0.748 41.346 42.059 0.058 0.000 0.890 2332 L HN 0.321 nan 8.230 nan 0.000 0.431 2333 D N -0.545 119.865 120.400 0.017 0.000 2.178 2333 D HA -0.233 4.398 4.640 -0.015 0.000 0.201 2333 D C 2.065 178.327 176.300 -0.064 0.000 0.980 2333 D CA 1.139 55.147 54.000 0.013 0.000 0.842 2333 D CB 0.142 40.988 40.800 0.077 0.000 0.948 2333 D HN 0.409 nan 8.370 nan 0.000 0.472 2334 Q N 0.658 120.390 119.800 -0.114 0.000 1.975 2334 Q HA -0.187 4.144 4.340 -0.015 0.000 0.205 2334 Q C 2.738 178.604 176.000 -0.223 0.000 0.990 2334 Q CA 2.220 57.927 55.803 -0.160 0.000 0.845 2334 Q CB -0.306 28.311 28.738 -0.200 0.000 0.913 2334 Q HN 0.531 nan 8.270 nan 0.000 0.420 2335 I N -1.840 118.509 120.570 -0.368 0.000 2.394 2335 I HA -0.121 4.040 4.170 -0.015 0.000 0.251 2335 I C 1.840 177.819 176.117 -0.230 0.000 1.136 2335 I CA 1.563 62.676 61.300 -0.312 0.000 1.425 2335 I CB -0.674 37.091 38.000 -0.392 0.000 1.079 2335 I HN 0.027 nan 8.210 nan 0.000 0.425 2336 T N 0.909 115.340 114.554 -0.205 0.000 2.915 2336 T HA -0.133 4.208 4.350 -0.015 0.000 0.269 2336 T C 1.843 176.415 174.700 -0.213 0.000 1.071 2336 T CA 1.497 63.473 62.100 -0.208 0.000 1.132 2336 T CB -0.181 68.630 68.868 -0.095 0.000 0.878 2336 T HN 0.411 nan 8.240 nan 0.000 0.479 2337 K N 0.859 121.170 120.400 -0.149 0.000 2.103 2337 K HA 0.037 4.348 4.320 -0.015 0.000 0.204 2337 K C 2.499 179.016 176.600 -0.138 0.000 1.052 2337 K CA 0.627 56.845 56.287 -0.115 0.000 0.945 2337 K CB 0.062 32.521 32.500 -0.069 0.000 0.722 2337 K HN 0.191 nan 8.250 nan 0.000 0.443 2338 R N 0.368 120.777 120.500 -0.153 0.000 2.081 2338 R HA -0.141 4.190 4.340 -0.015 0.000 0.235 2338 R C 2.361 178.548 176.300 -0.188 0.000 1.131 2338 R CA 1.186 57.199 56.100 -0.144 0.000 0.960 2338 R CB -0.377 29.844 30.300 -0.131 0.000 0.856 2338 R HN 0.157 nan 8.270 nan 0.000 0.436 2339 L N 0.461 121.522 121.223 -0.270 0.000 2.005 2339 L HA -0.122 4.209 4.340 -0.015 0.000 0.207 2339 L C 2.422 179.050 176.870 -0.403 0.000 1.072 2339 L CA 1.786 56.397 54.840 -0.382 0.000 0.744 2339 L CB -0.703 41.009 42.059 -0.579 0.000 0.895 2339 L HN 0.019 nan 8.230 nan 0.000 0.433 2340 S N -0.719 114.747 115.700 -0.390 0.000 2.354 2340 S HA -0.237 4.224 4.470 -0.015 0.000 0.219 2340 S C 1.804 176.314 174.600 -0.150 0.000 1.035 2340 S CA 1.721 59.763 58.200 -0.263 0.000 1.037 2340 S CB -0.544 62.554 63.200 -0.169 0.000 0.956 2340 S HN 0.586 nan 8.310 nan 0.000 0.428 2341 D N 0.539 120.871 120.400 -0.114 0.000 2.116 2341 D HA -0.091 4.540 4.640 -0.015 0.000 0.193 2341 D C 2.073 178.325 176.300 -0.079 0.000 0.998 2341 D CA 1.469 55.429 54.000 -0.067 0.000 0.836 2341 D CB -1.042 39.724 40.800 -0.058 0.000 0.951 2341 D HN 0.570 nan 8.370 nan 0.000 0.449 2342 G N 0.315 109.043 108.800 -0.119 0.000 2.448 2342 G HA2 -0.192 3.760 3.960 -0.015 0.000 0.219 2342 G HA3 -0.192 3.760 3.960 -0.015 0.000 0.219 2342 G C 1.623 176.435 174.900 -0.145 0.000 1.127 2342 G CA 0.196 45.225 45.100 -0.118 0.000 0.766 2342 G HN 0.169 nan 8.290 nan 0.000 0.552 2343 L N 0.031 121.120 121.223 -0.223 0.000 2.095 2343 L HA 0.280 4.611 4.340 -0.015 0.000 0.204 2343 L C 2.681 179.461 176.870 -0.150 0.000 1.080 2343 L CA 1.034 55.663 54.840 -0.353 0.000 0.759 2343 L CB -0.308 41.364 42.059 -0.644 0.000 0.914 2343 L HN 0.155 nan 8.230 nan 0.000 0.439 2344 L N -1.498 119.733 121.223 0.013 0.000 2.313 2344 L HA -0.057 4.274 4.340 -0.015 0.000 0.214 2344 L C 2.466 179.386 176.870 0.083 0.000 1.119 2344 L CA 0.740 55.675 54.840 0.160 0.000 0.809 2344 L CB -0.572 41.563 42.059 0.127 0.000 0.933 2344 L HN 0.257 nan 8.230 nan 0.000 0.449 2345 A N 0.421 123.254 122.820 0.022 0.000 1.897 2345 A HA -0.122 4.189 4.320 -0.015 0.000 0.215 2345 A C 2.169 179.769 177.584 0.026 0.000 1.181 2345 A CA 1.155 53.201 52.037 0.015 0.000 0.620 2345 A CB -0.445 18.548 19.000 -0.012 0.000 0.821 2345 A HN 0.303 nan 8.150 nan 0.000 0.443 2346 I N -0.200 120.377 120.570 0.012 0.000 2.252 2346 I HA -0.256 3.905 4.170 -0.015 0.000 0.245 2346 I C 2.928 179.100 176.117 0.092 0.000 1.102 2346 I CA 1.038 62.355 61.300 0.029 0.000 1.385 2346 I CB -0.301 37.692 38.000 -0.011 0.000 1.064 2346 I HN 0.355 nan 8.210 nan 0.000 0.414 2347 A N -0.058 122.846 122.820 0.140 0.000 1.930 2347 A HA -0.264 4.047 4.320 -0.015 0.000 0.217 2347 A C 2.281 179.974 177.584 0.183 0.000 1.175 2347 A CA 1.569 53.746 52.037 0.233 0.000 0.627 2347 A CB -0.599 18.594 19.000 0.322 0.000 0.815 2347 A HN 0.464 nan 8.150 nan 0.000 0.443 2348 Q N -0.392 119.478 119.800 0.117 0.000 2.124 2348 Q HA -0.207 4.124 4.340 -0.015 0.000 0.202 2348 Q C 1.888 177.923 176.000 0.057 0.000 0.977 2348 Q CA 1.836 57.683 55.803 0.073 0.000 0.850 2348 Q CB -0.096 28.673 28.738 0.051 0.000 0.901 2348 Q HN 0.798 nan 8.270 nan 0.000 0.429 2349 E N -0.794 119.443 120.200 0.061 0.000 2.072 2349 E HA -0.118 4.224 4.350 -0.015 0.000 0.191 2349 E C 1.577 178.208 176.600 0.052 0.000 0.985 2349 E CA 1.576 58.003 56.400 0.045 0.000 0.801 2349 E CB 0.134 29.857 29.700 0.039 0.000 0.750 2349 E HN 0.434 nan 8.360 nan 0.000 0.452 2350 T N -1.342 113.275 114.554 0.104 0.000 3.194 2350 T HA 0.204 4.545 4.350 -0.015 0.000 0.251 2350 T C 1.278 175.954 174.700 -0.039 0.000 1.132 2350 T CA 0.281 62.450 62.100 0.116 0.000 1.028 2350 T CB 0.238 69.289 68.868 0.306 0.000 0.976 2350 T HN 0.291 nan 8.240 nan 0.000 0.535 2351 G N 1.697 110.480 108.800 -0.029 0.000 2.295 2351 G HA2 -0.231 3.720 3.960 -0.015 0.000 0.287 2351 G HA3 -0.231 3.720 3.960 -0.015 0.000 0.287 2351 G C -0.409 174.352 174.900 -0.231 0.000 1.055 2351 G CA -0.237 44.793 45.100 -0.116 0.000 0.922 2351 G HN 0.745 nan 8.290 nan 0.000 0.503 2352 H N -0.209 118.888 119.070 0.044 0.000 2.481 2352 H HA 0.643 5.190 4.556 -0.016 0.000 0.333 2352 H C 0.654 176.022 175.328 0.066 0.000 1.066 2352 H CA 0.089 56.171 56.048 0.057 0.000 1.209 2352 H CB 1.693 31.523 29.762 0.113 0.000 1.445 2352 H HN 0.600 nan 8.280 nan 0.000 0.488 2353 A N 2.819 125.728 122.820 0.148 0.000 2.488 2353 A HA 0.586 4.897 4.320 -0.015 0.000 0.249 2353 A C -0.083 177.540 177.584 0.065 0.000 1.083 2353 A CA 0.542 52.627 52.037 0.080 0.000 0.768 2353 A CB -0.354 18.674 19.000 0.048 0.000 1.017 2353 A HN 0.828 nan 8.150 nan 0.000 0.496 2354 A N 1.158 123.957 122.820 -0.036 0.000 2.608 2354 A HA 0.646 4.957 4.320 -0.015 0.000 0.292 2354 A C -0.623 176.868 177.584 -0.155 0.000 1.066 2354 A CA 0.052 51.948 52.037 -0.235 0.000 0.676 2354 A CB 0.623 19.321 19.000 -0.503 0.000 1.277 2354 A HN 2.406 nan 8.150 nan 0.000 0.413 2355 C N 0.061 119.253 119.300 -0.179 0.000 2.608 2355 C HA 0.993 5.444 4.460 -0.015 0.000 0.325 2355 C C 0.513 175.550 174.990 0.078 0.000 1.147 2355 C CA 0.147 59.151 59.018 -0.022 0.000 1.359 2355 C CB 0.929 28.658 27.740 -0.019 0.000 1.912 2355 C HN 1.887 nan 8.230 nan 0.000 0.466 2356 G N 0.952 109.840 108.800 0.146 0.000 3.212 2356 G HA2 1.030 4.981 3.960 -0.015 0.000 0.188 2356 G HA3 1.030 4.981 3.960 -0.015 0.000 0.188 2356 G C -0.112 174.921 174.900 0.221 0.000 1.254 2356 G CA -0.353 44.886 45.100 0.233 0.000 0.957 2356 G HN 2.333 nan 8.290 nan 0.000 0.596 2357 G N -1.792 107.123 108.800 0.191 0.000 2.353 2357 G HA2 0.634 4.585 3.960 -0.015 0.000 0.308 2357 G HA3 0.634 4.585 3.960 -0.015 0.000 0.308 2357 G C -1.567 173.367 174.900 0.056 0.000 1.418 2357 G CA 0.306 45.527 45.100 0.202 0.000 0.966 2357 G HN 1.684 nan 8.290 nan 0.000 0.638 2358 Q N -2.151 117.689 119.800 0.067 0.000 2.666 2358 Q HA 0.619 4.950 4.340 -0.015 0.000 0.276 2358 Q C -1.687 174.373 176.000 0.100 0.000 0.952 2358 Q CA -1.020 54.637 55.803 -0.243 0.000 0.850 2358 Q CB 1.622 30.244 28.738 -0.194 0.000 1.512 2358 Q HN 1.420 nan 8.270 nan 0.000 0.395 2359 V N 1.800 121.808 119.914 0.156 0.000 2.398 2359 V HA 0.758 4.870 4.120 -0.015 0.000 0.282 2359 V C 0.188 176.407 176.094 0.209 0.000 1.014 2359 V CA 0.343 62.819 62.300 0.294 0.000 0.838 2359 V CB 0.391 32.499 31.823 0.474 0.000 1.018 2359 V HN 1.085 nan 8.190 nan 0.000 0.432 2360 S N 3.976 119.775 115.700 0.164 0.000 3.598 2360 S HA -0.150 4.312 4.470 -0.015 0.000 0.633 2360 S C 1.177 175.854 174.600 0.128 0.000 2.409 2360 S CA 0.820 59.121 58.200 0.168 0.000 2.818 2360 S CB -1.176 62.172 63.200 0.246 0.000 0.322 2360 S HN 2.020 nan 8.310 nan 0.000 1.609 2361 G N 1.118 110.008 108.800 0.150 0.000 3.353 2361 G HA2 0.415 4.366 3.960 -0.015 0.000 0.247 2361 G HA3 0.415 4.366 3.960 -0.015 0.000 0.247 2361 G C -0.147 174.901 174.900 0.246 0.000 1.025 2361 G CA 0.798 45.987 45.100 0.149 0.000 1.863 2361 G HN 0.776 nan 8.290 nan 0.000 0.635 2362 M N 0.622 120.334 119.600 0.187 0.000 2.365 2362 M HA 0.658 5.129 4.480 -0.015 0.000 0.287 2362 M C -1.578 174.526 176.300 -0.327 0.000 1.154 2362 M CA -1.013 54.325 55.300 0.063 0.000 0.941 2362 M CB 1.733 34.473 32.600 0.234 0.000 1.704 2362 M HN 0.167 nan 8.290 nan 0.000 0.479 2363 F N 1.462 120.999 119.950 -0.689 0.000 2.950 2363 F HA 1.052 5.569 4.527 -0.016 0.000 0.327 2363 F C -0.697 174.732 175.800 -0.619 0.000 1.197 2363 F CA -0.579 56.876 58.000 -0.909 0.000 0.954 2363 F CB 1.080 39.794 39.000 -0.477 0.000 1.442 2363 F HN 0.640 nan 8.300 nan 0.000 0.509 2364 G N -0.323 108.393 108.800 -0.139 0.000 2.703 2364 G HA2 0.570 4.521 3.960 -0.015 0.000 0.294 2364 G HA3 0.570 4.521 3.960 -0.015 0.000 0.294 2364 G C -2.799 172.146 174.900 0.076 0.000 1.451 2364 G CA -0.731 44.317 45.100 -0.087 0.000 0.869 2364 G HN 0.948 nan 8.290 nan 0.000 0.516 2365 F N 1.391 121.079 119.950 -0.438 0.000 3.051 2365 F HA 0.641 5.160 4.527 -0.014 0.000 0.363 2365 F C -1.753 173.672 175.800 -0.625 0.000 1.257 2365 F CA -1.509 56.271 58.000 -0.366 0.000 1.126 2365 F CB 0.914 39.754 39.000 -0.266 0.000 1.476 2365 F HN 0.327 nan 8.300 nan 0.000 0.576 2366 F N 5.142 124.717 119.950 -0.626 0.000 2.421 2366 F HA 0.428 4.950 4.527 -0.008 0.000 0.337 2366 F C -0.190 175.161 175.800 -0.749 0.000 1.105 2366 F CA -0.692 56.952 58.000 -0.594 0.000 1.049 2366 F CB 1.021 39.817 39.000 -0.339 0.000 1.139 2366 F HN 0.258 nan 8.300 nan 0.000 0.479 2367 F N 2.249 122.057 119.950 -0.236 0.000 2.567 2367 F HA 0.395 4.914 4.527 -0.014 0.000 0.352 2367 F C 0.447 176.180 175.800 -0.111 0.000 1.229 2367 F CA 0.032 57.900 58.000 -0.221 0.000 1.228 2367 F CB 0.271 39.195 39.000 -0.128 0.000 1.568 2367 F HN 0.466 nan 8.300 nan 0.000 0.634 2368 T N 0.632 115.205 114.554 0.033 0.000 3.094 2368 T HA 0.045 4.386 4.350 -0.015 0.000 0.373 2368 T C 0.476 175.155 174.700 -0.034 0.000 1.806 2368 T CA -0.636 61.470 62.100 0.009 0.000 1.107 2368 T CB 0.737 69.596 68.868 -0.015 0.000 1.632 2368 T HN 0.628 nan 8.240 nan 0.000 0.488 2369 E N 2.158 122.344 120.200 -0.024 0.000 2.285 2369 E HA 0.401 4.742 4.350 -0.015 0.000 0.194 2369 E C 1.400 177.976 176.600 -0.041 0.000 0.997 2369 E CA 0.427 56.811 56.400 -0.028 0.000 0.845 2369 E CB -0.243 29.451 29.700 -0.011 0.000 0.782 2369 E HN 1.419 nan 8.360 nan 0.000 0.491 2370 G N 2.382 111.149 108.800 -0.055 0.000 2.512 2370 G HA2 -0.238 3.714 3.960 -0.015 0.000 0.240 2370 G HA3 -0.238 3.714 3.960 -0.015 0.000 0.240 2370 G C -2.199 172.692 174.900 -0.014 0.000 1.246 2370 G CA -0.183 44.878 45.100 -0.065 0.000 0.919 2370 G HN 0.330 nan 8.290 nan 0.000 0.577 2371 P HA 0.509 nan 4.420 nan 0.000 0.275 2371 P C -0.329 176.993 177.300 0.038 0.000 1.227 2371 P CA -0.205 62.912 63.100 0.029 0.000 0.781 2371 P CB 1.348 33.139 31.700 0.151 0.000 0.906 2372 V N 4.336 124.146 119.914 -0.172 0.000 2.383 2372 V HA 0.118 4.229 4.120 -0.015 0.000 0.275 2372 V C 0.681 176.622 176.094 -0.256 0.000 1.036 2372 V CA 0.039 62.204 62.300 -0.225 0.000 0.889 2372 V CB 0.330 31.803 31.823 -0.583 0.000 0.985 2372 V HN 0.642 nan 8.190 nan 0.000 0.459 2373 H N 2.291 121.283 119.070 -0.129 0.000 3.205 2373 H HA 0.275 4.822 4.556 -0.016 0.000 0.252 2373 H C 0.666 175.993 175.328 -0.000 0.000 1.015 2373 H CA 0.115 56.117 56.048 -0.076 0.000 1.192 2373 H CB 0.451 30.154 29.762 -0.097 0.000 1.474 2373 H HN 0.772 nan 8.280 nan 0.000 0.484 2374 N N -1.915 116.850 118.700 0.109 0.000 2.972 2374 N HA -0.020 4.711 4.740 -0.015 0.000 0.262 2374 N C -0.045 175.534 175.510 0.115 0.000 1.478 2374 N CA -0.680 52.453 53.050 0.139 0.000 0.841 2374 N CB 1.290 39.869 38.487 0.153 0.000 1.512 2374 N HN -0.136 nan 8.380 nan 0.000 0.548 2375 Y N 0.507 120.812 120.300 0.010 0.000 2.151 2375 Y HA -0.206 4.333 4.550 -0.018 0.000 0.284 2375 Y C 2.422 178.329 175.900 0.011 0.000 1.166 2375 Y CA 2.241 60.344 58.100 0.004 0.000 1.163 2375 Y CB -0.327 38.129 38.460 -0.007 0.000 0.974 2375 Y HN 0.800 nan 8.280 nan 0.000 0.511 2376 E N -0.307 119.895 120.200 0.003 0.000 2.023 2376 E HA -0.258 4.083 4.350 -0.015 0.000 0.196 2376 E C 1.861 178.401 176.600 -0.100 0.000 1.003 2376 E CA 1.694 58.041 56.400 -0.088 0.000 0.809 2376 E CB -0.166 29.524 29.700 -0.018 0.000 0.755 2376 E HN 0.460 nan 8.360 nan 0.000 0.449 2377 D N 0.122 120.483 120.400 -0.064 0.000 2.133 2377 D HA -0.215 4.416 4.640 -0.015 0.000 0.192 2377 D C 1.824 178.028 176.300 -0.160 0.000 1.001 2377 D CA 1.608 55.554 54.000 -0.090 0.000 0.844 2377 D CB -0.488 40.277 40.800 -0.059 0.000 0.944 2377 D HN 0.326 nan 8.370 nan 0.000 0.447 2378 A N 0.737 123.439 122.820 -0.197 0.000 1.972 2378 A HA -0.187 4.124 4.320 -0.015 0.000 0.219 2378 A C 2.013 179.601 177.584 0.008 0.000 1.169 2378 A CA 1.314 53.211 52.037 -0.232 0.000 0.635 2378 A CB -0.430 18.526 19.000 -0.072 0.000 0.810 2378 A HN 0.132 nan 8.150 nan 0.000 0.446 2379 K N -0.267 120.102 120.400 -0.052 0.000 2.442 2379 K HA -0.068 4.243 4.320 -0.015 0.000 0.198 2379 K C 1.282 177.890 176.600 0.013 0.000 1.042 2379 K CA 0.950 57.229 56.287 -0.013 0.000 0.958 2379 K CB -0.067 32.257 32.500 -0.293 0.000 0.766 2379 K HN 0.465 nan 8.250 nan 0.000 0.474 2380 K N 0.366 120.750 120.400 -0.026 0.000 2.486 2380 K HA 0.047 4.358 4.320 -0.015 0.000 0.194 2380 K C 0.271 176.878 176.600 0.010 0.000 1.033 2380 K CA -0.003 56.274 56.287 -0.016 0.000 1.004 2380 K CB 0.337 32.815 32.500 -0.037 0.000 0.798 2380 K HN -0.066 nan 8.250 nan 0.000 0.495 2381 S N 2.185 117.898 115.700 0.022 0.000 2.552 2381 S HA -0.080 4.381 4.470 -0.015 0.000 0.289 2381 S C 0.048 174.685 174.600 0.063 0.000 1.304 2381 S CA -0.220 58.005 58.200 0.043 0.000 1.063 2381 S CB 0.425 63.619 63.200 -0.011 0.000 0.848 2381 S HN 0.197 nan 8.310 nan 0.000 0.499 2382 D N 2.548 123.010 120.400 0.102 0.000 2.367 2382 D HA 0.058 4.689 4.640 -0.015 0.000 0.255 2382 D C 0.719 177.081 176.300 0.103 0.000 1.300 2382 D CA -0.389 53.654 54.000 0.072 0.000 0.959 2382 D CB 0.162 40.976 40.800 0.022 0.000 1.064 2382 D HN 0.202 nan 8.370 nan 0.000 0.509 2383 L N 3.285 124.564 121.223 0.094 0.000 2.141 2383 L HA -0.126 4.205 4.340 -0.015 0.000 0.209 2383 L C 2.343 179.300 176.870 0.146 0.000 1.094 2383 L CA 1.276 56.193 54.840 0.129 0.000 0.763 2383 L CB -0.679 41.451 42.059 0.120 0.000 0.908 2383 L HN 0.484 nan 8.230 nan 0.000 0.437 2384 Q N -0.549 119.300 119.800 0.081 0.000 2.170 2384 Q HA -0.234 4.097 4.340 -0.015 0.000 0.203 2384 Q C 2.233 178.246 176.000 0.022 0.000 0.976 2384 Q CA 1.224 57.060 55.803 0.054 0.000 0.858 2384 Q CB -0.084 28.671 28.738 0.028 0.000 0.907 2384 Q HN 0.397 nan 8.270 nan 0.000 0.433 2385 K N 0.442 120.817 120.400 -0.042 0.000 1.984 2385 K HA -0.128 4.183 4.320 -0.015 0.000 0.209 2385 K C 1.816 178.344 176.600 -0.120 0.000 1.046 2385 K CA 0.969 57.109 56.287 -0.244 0.000 0.934 2385 K CB -0.653 31.486 32.500 -0.602 0.000 0.717 2385 K HN 0.055 nan 8.250 nan 0.000 0.438 2386 F N 1.127 121.089 119.950 0.021 0.000 2.147 2386 F HA -0.281 4.239 4.527 -0.013 0.000 0.301 2386 F C 2.398 178.355 175.800 0.263 0.000 1.084 2386 F CA 2.027 60.264 58.000 0.396 0.000 1.268 2386 F CB -0.865 38.318 39.000 0.304 0.000 1.009 2386 F HN 0.198 nan 8.300 nan 0.000 0.486 2387 S N 0.153 115.966 115.700 0.188 0.000 2.353 2387 S HA -0.225 4.236 4.470 -0.015 0.000 0.222 2387 S C 2.244 176.851 174.600 0.012 0.000 1.035 2387 S CA 1.626 59.869 58.200 0.072 0.000 1.025 2387 S CB -0.322 62.935 63.200 0.094 0.000 0.902 2387 S HN 0.501 nan 8.310 nan 0.000 0.440 2388 R N -0.889 119.623 120.500 0.018 0.000 2.115 2388 R HA -0.025 4.306 4.340 -0.015 0.000 0.230 2388 R C 2.098 178.394 176.300 -0.006 0.000 1.111 2388 R CA 1.442 57.543 56.100 0.002 0.000 0.976 2388 R CB -0.473 29.822 30.300 -0.008 0.000 0.870 2388 R HN 0.530 nan 8.270 nan 0.000 0.445 2389 F N 1.054 120.916 119.950 -0.145 0.000 2.163 2389 F HA -0.176 4.343 4.527 -0.014 0.000 0.297 2389 F C 2.497 178.168 175.800 -0.216 0.000 1.094 2389 F CA 1.474 59.395 58.000 -0.132 0.000 1.290 2389 F CB -0.400 38.637 39.000 0.062 0.000 1.017 2389 F HN 0.054 nan 8.300 nan 0.000 0.483 2390 H N 0.247 119.000 119.070 -0.528 0.000 2.357 2390 H HA -0.096 4.451 4.556 -0.015 0.000 0.301 2390 H C 2.354 177.433 175.328 -0.414 0.000 1.082 2390 H CA 1.433 57.094 56.048 -0.644 0.000 1.342 2390 H CB -0.063 29.280 29.762 -0.697 0.000 1.389 2390 H HN 0.053 nan 8.280 nan 0.000 0.511 2391 R N 0.700 121.152 120.500 -0.080 0.000 2.092 2391 R HA -0.055 4.276 4.340 -0.015 0.000 0.231 2391 R C 2.528 178.707 176.300 -0.202 0.000 1.119 2391 R CA 1.058 57.141 56.100 -0.029 0.000 0.970 2391 R CB -1.170 29.159 30.300 0.049 0.000 0.864 2391 R HN 0.516 nan 8.270 nan 0.000 0.440 2392 G N 0.854 109.498 108.800 -0.261 0.000 2.511 2392 G HA2 -0.264 3.687 3.960 -0.015 0.000 0.216 2392 G HA3 -0.264 3.687 3.960 -0.015 0.000 0.216 2392 G C 1.439 176.101 174.900 -0.396 0.000 1.218 2392 G CA 0.903 45.828 45.100 -0.292 0.000 0.788 2392 G HN 0.171 nan 8.290 nan 0.000 0.560 2393 M N -0.092 119.163 119.600 -0.575 0.000 2.089 2393 M HA -0.077 4.394 4.480 -0.015 0.000 0.257 2393 M C 2.585 178.664 176.300 -0.367 0.000 1.071 2393 M CA 0.943 55.927 55.300 -0.528 0.000 1.096 2393 M CB -1.388 30.780 32.600 -0.720 0.000 1.330 2393 M HN 0.194 nan 8.290 nan 0.000 0.403 2394 L N 0.578 121.576 121.223 -0.374 0.000 2.021 2394 L HA -0.224 4.107 4.340 -0.015 0.000 0.215 2394 L C 2.269 178.884 176.870 -0.425 0.000 1.074 2394 L CA 1.975 56.709 54.840 -0.176 0.000 0.760 2394 L CB -0.804 41.208 42.059 -0.078 0.000 0.889 2394 L HN 0.396 nan 8.230 nan 0.000 0.433 2395 E N -1.512 118.239 120.200 -0.749 0.000 2.268 2395 E HA -0.183 4.158 4.350 -0.015 0.000 0.195 2395 E C 1.714 177.994 176.600 -0.534 0.000 0.995 2395 E CA 0.538 56.280 56.400 -1.097 0.000 0.836 2395 E CB -0.015 29.236 29.700 -0.748 0.000 0.763 2395 E HN 0.515 nan 8.360 nan 0.000 0.491 2396 Q N -0.530 119.056 119.800 -0.357 0.000 2.360 2396 Q HA 0.082 4.413 4.340 -0.015 0.000 0.202 2396 Q C 0.755 176.639 176.000 -0.193 0.000 0.915 2396 Q CA 0.617 56.282 55.803 -0.230 0.000 0.943 2396 Q CB 1.296 29.919 28.738 -0.193 0.000 1.064 2396 Q HN 0.369 nan 8.270 nan 0.000 0.511 2397 G N 1.409 110.080 108.800 -0.216 0.000 2.203 2397 G HA2 -0.167 3.784 3.960 -0.015 0.000 0.231 2397 G HA3 -0.167 3.784 3.960 -0.015 0.000 0.231 2397 G C -0.217 174.685 174.900 0.003 0.000 1.058 2397 G CA -0.293 44.690 45.100 -0.195 0.000 0.781 2397 G HN 0.181 nan 8.290 nan 0.000 0.496 2398 I N -0.085 120.542 120.570 0.095 0.000 2.499 2398 I HA 0.391 4.552 4.170 -0.015 0.000 0.288 2398 I C -0.646 175.582 176.117 0.186 0.000 1.048 2398 I CA -1.870 59.518 61.300 0.146 0.000 1.062 2398 I CB 1.694 39.684 38.000 -0.016 0.000 1.238 2398 I HN 0.144 nan 8.210 nan 0.000 0.426 2399 Y N 6.901 127.278 120.300 0.129 0.000 2.369 2399 Y HA 0.611 5.152 4.550 -0.014 0.000 0.337 2399 Y C -0.862 175.067 175.900 0.049 0.000 0.961 2399 Y CA -0.348 57.751 58.100 -0.001 0.000 1.186 2399 Y CB 0.952 39.379 38.460 -0.054 0.000 1.139 2399 Y HN 0.414 nan 8.280 nan 0.000 0.494 2400 L N 4.745 125.681 121.223 -0.479 0.000 2.333 2400 L HA 0.718 5.049 4.340 -0.015 0.000 0.269 2400 L C 0.102 176.810 176.870 -0.270 0.000 1.010 2400 L CA -1.672 53.012 54.840 -0.261 0.000 0.818 2400 L CB 1.639 43.569 42.059 -0.214 0.000 1.306 2400 L HN 0.670 nan 8.230 nan 0.000 0.430 2401 A N 2.832 125.565 122.820 -0.145 0.000 2.553 2401 A HA 0.143 4.454 4.320 -0.015 0.000 0.258 2401 A C -1.783 175.829 177.584 0.047 0.000 1.069 2401 A CA -0.659 51.300 52.037 -0.130 0.000 0.767 2401 A CB -0.688 18.256 19.000 -0.094 0.000 0.997 2401 A HN 0.507 nan 8.150 nan 0.000 0.512 2402 P HA 0.027 nan 4.420 nan 0.000 0.271 2402 P C -0.198 176.989 177.300 -0.187 0.000 1.601 2402 P CA 0.796 63.495 63.100 -0.667 0.000 0.856 2402 P CB -0.360 30.684 31.700 -1.093 0.000 1.820 2403 S N -0.068 115.707 115.700 0.126 0.000 2.558 2403 S HA 0.204 4.666 4.470 -0.015 0.000 0.277 2403 S C 0.569 174.835 174.600 -0.556 0.000 1.143 2403 S CA -0.467 57.724 58.200 -0.015 0.000 0.865 2403 S CB 1.681 64.915 63.200 0.056 0.000 1.102 2403 S HN -0.041 nan 8.310 nan 0.000 0.454 2404 Q N 2.297 121.409 119.800 -1.146 0.000 2.245 2404 Q HA 0.282 4.613 4.340 -0.015 0.000 0.201 2404 Q C 0.003 175.344 176.000 -1.097 0.000 0.955 2404 Q CA 1.657 56.441 55.803 -1.698 0.000 0.870 2404 Q CB -0.210 27.546 28.738 -1.636 0.000 0.945 2404 Q HN 0.728 nan 8.270 nan 0.000 0.461 2405 F N 1.348 121.125 119.950 -0.287 0.000 2.949 2405 F HA 0.381 4.898 4.527 -0.018 0.000 0.291 2405 F C -0.176 175.570 175.800 -0.090 0.000 1.214 2405 F CA -0.292 57.651 58.000 -0.095 0.000 1.381 2405 F CB 0.274 39.297 39.000 0.039 0.000 1.066 2405 F HN -0.163 nan 8.300 nan 0.000 0.520 2406 E N 0.958 121.111 120.200 -0.078 0.000 2.263 2406 E HA 0.526 4.867 4.350 -0.015 0.000 0.268 2406 E C -0.428 176.041 176.600 -0.219 0.000 0.884 2406 E CA -0.634 55.756 56.400 -0.016 0.000 0.766 2406 E CB 2.228 32.027 29.700 0.166 0.000 1.196 2406 E HN 0.142 nan 8.360 nan 0.000 0.416 2407 A N 2.104 124.774 122.820 -0.249 0.000 2.448 2407 A HA 0.548 4.859 4.320 -0.015 0.000 0.239 2407 A C 0.679 177.603 177.584 -1.100 0.000 1.080 2407 A CA 0.503 52.225 52.037 -0.525 0.000 0.779 2407 A CB 0.282 19.102 19.000 -0.300 0.000 1.026 2407 A HN 0.534 nan 8.150 nan 0.000 0.499 2408 G N -0.848 107.041 108.800 -1.517 0.000 2.437 2408 G HA2 0.610 4.561 3.960 -0.015 0.000 0.319 2408 G HA3 0.610 4.561 3.960 -0.015 0.000 0.319 2408 G C -0.829 173.122 174.900 -1.582 0.000 1.158 2408 G CA -0.543 43.422 45.100 -1.891 0.000 0.899 2408 G HN 0.511 nan 8.290 nan 0.000 0.502 2409 F N -0.529 119.307 119.950 -0.192 0.000 2.599 2409 F HA 0.610 5.128 4.527 -0.015 0.000 0.311 2409 F C 0.554 176.457 175.800 0.171 0.000 1.076 2409 F CA -0.846 57.182 58.000 0.046 0.000 0.937 2409 F CB 3.017 42.009 39.000 -0.014 0.000 1.282 2409 F HN 0.640 nan 8.300 nan 0.000 0.460 2410 T N -1.657 113.034 114.554 0.227 0.000 2.907 2410 T HA 0.816 5.157 4.350 -0.015 0.000 0.290 2410 T C -0.599 174.000 174.700 -0.167 0.000 1.066 2410 T CA -0.876 61.088 62.100 -0.227 0.000 1.012 2410 T CB 1.758 70.513 68.868 -0.188 0.000 1.184 2410 T HN 0.717 nan 8.240 nan 0.000 0.522 2411 S N -0.296 115.261 115.700 -0.238 0.000 2.667 2411 S HA 0.538 4.999 4.470 -0.015 0.000 0.292 2411 S C 0.744 175.413 174.600 0.115 0.000 1.126 2411 S CA -1.158 57.047 58.200 0.009 0.000 0.881 2411 S CB 0.825 64.051 63.200 0.044 0.000 1.132 2411 S HN 0.635 nan 8.310 nan 0.000 0.492 2412 L N 0.520 121.793 121.223 0.083 0.000 2.362 2412 L HA 0.065 4.396 4.340 -0.015 0.000 0.219 2412 L C 2.573 179.458 176.870 0.026 0.000 1.134 2412 L CA 1.189 56.069 54.840 0.067 0.000 0.807 2412 L CB -0.725 41.329 42.059 -0.009 0.000 0.927 2412 L HN 0.925 nan 8.230 nan 0.000 0.447 2413 A N -1.769 121.080 122.820 0.049 0.000 2.169 2413 A HA -0.045 4.266 4.320 -0.015 0.000 0.212 2413 A C 0.326 177.875 177.584 -0.059 0.000 1.153 2413 A CA 0.138 52.152 52.037 -0.039 0.000 0.756 2413 A CB -0.565 18.378 19.000 -0.096 0.000 0.813 2413 A HN 0.309 nan 8.150 nan 0.000 0.471 2414 H N 1.264 120.293 119.070 -0.068 0.000 2.878 2414 H HA 0.333 4.881 4.556 -0.014 0.000 0.290 2414 H C 1.008 176.388 175.328 0.087 0.000 1.065 2414 H CA 0.826 56.836 56.048 -0.063 0.000 1.477 2414 H CB 0.632 30.366 29.762 -0.047 0.000 1.484 2414 H HN 0.361 nan 8.280 nan 0.000 0.504 2415 T N -0.393 114.223 114.554 0.105 0.000 2.847 2415 T HA 0.096 4.437 4.350 -0.015 0.000 0.279 2415 T C 1.403 176.190 174.700 0.146 0.000 0.984 2415 T CA -0.850 61.342 62.100 0.152 0.000 0.988 2415 T CB 1.249 70.164 68.868 0.079 0.000 1.040 2415 T HN 0.573 nan 8.240 nan 0.000 0.528 2416 E N 0.181 120.462 120.200 0.135 0.000 2.153 2416 E HA -0.115 4.226 4.350 -0.015 0.000 0.194 2416 E C 1.828 178.461 176.600 0.054 0.000 0.988 2416 E CA 1.317 57.763 56.400 0.076 0.000 0.811 2416 E CB -0.223 29.518 29.700 0.068 0.000 0.746 2416 E HN 0.754 nan 8.360 nan 0.000 0.466 2417 E N 0.506 120.743 120.200 0.061 0.000 2.072 2417 E HA -0.144 4.197 4.350 -0.015 0.000 0.191 2417 E C 1.663 178.299 176.600 0.059 0.000 0.985 2417 E CA 1.333 57.763 56.400 0.050 0.000 0.801 2417 E CB -0.224 29.508 29.700 0.052 0.000 0.750 2417 E HN 0.302 nan 8.360 nan 0.000 0.452 2418 D N 0.393 120.840 120.400 0.078 0.000 2.104 2418 D HA -0.146 4.485 4.640 -0.015 0.000 0.194 2418 D C 1.885 178.261 176.300 0.127 0.000 0.994 2418 D CA 0.835 54.893 54.000 0.097 0.000 0.830 2418 D CB -0.129 40.687 40.800 0.027 0.000 0.959 2418 D HN 0.117 nan 8.370 nan 0.000 0.452 2419 I N 1.789 122.426 120.570 0.111 0.000 2.163 2419 I HA -0.216 3.945 4.170 -0.015 0.000 0.243 2419 I C 1.794 177.913 176.117 0.004 0.000 1.085 2419 I CA 1.299 62.636 61.300 0.063 0.000 1.347 2419 I CB -1.031 36.968 38.000 -0.002 0.000 1.044 2419 I HN -0.029 nan 8.210 nan 0.000 0.408 2420 D N 1.002 121.405 120.400 0.006 0.000 2.178 2420 D HA -0.077 4.554 4.640 -0.015 0.000 0.202 2420 D C 2.238 178.532 176.300 -0.010 0.000 0.974 2420 D CA 1.441 55.434 54.000 -0.012 0.000 0.841 2420 D CB 0.045 40.843 40.800 -0.005 0.000 0.953 2420 D HN 0.331 nan 8.370 nan 0.000 0.478 2421 A N 0.360 123.187 122.820 0.013 0.000 1.968 2421 A HA -0.087 4.224 4.320 -0.015 0.000 0.217 2421 A C 2.332 179.915 177.584 -0.001 0.000 1.169 2421 A CA 1.483 53.524 52.037 0.007 0.000 0.638 2421 A CB -0.562 18.452 19.000 0.023 0.000 0.812 2421 A HN 0.155 nan 8.150 nan 0.000 0.446 2422 T N 0.461 115.026 114.554 0.019 0.000 2.812 2422 T HA -0.025 4.316 4.350 -0.015 0.000 0.264 2422 T C 1.802 176.446 174.700 -0.093 0.000 1.042 2422 T CA 1.267 63.357 62.100 -0.018 0.000 1.140 2422 T CB -0.342 68.522 68.868 -0.005 0.000 0.870 2422 T HN 0.352 nan 8.240 nan 0.000 0.445 2423 L N 0.795 121.961 121.223 -0.095 0.000 2.079 2423 L HA -0.127 4.204 4.340 -0.015 0.000 0.210 2423 L C 3.000 179.828 176.870 -0.069 0.000 1.081 2423 L CA 1.183 55.960 54.840 -0.106 0.000 0.752 2423 L CB -0.687 41.315 42.059 -0.096 0.000 0.896 2423 L HN 0.253 nan 8.230 nan 0.000 0.433 2424 A N 0.166 122.956 122.820 -0.050 0.000 1.835 2424 A HA -0.202 4.109 4.320 -0.015 0.000 0.215 2424 A C 2.549 180.108 177.584 -0.042 0.000 1.199 2424 A CA 1.838 53.852 52.037 -0.039 0.000 0.615 2424 A CB -0.982 17.999 19.000 -0.032 0.000 0.838 2424 A HN 0.379 nan 8.150 nan 0.000 0.444 2425 A N -0.300 122.486 122.820 -0.056 0.000 1.948 2425 A HA 0.066 4.377 4.320 -0.015 0.000 0.220 2425 A C 2.469 180.013 177.584 -0.065 0.000 1.177 2425 A CA 2.405 54.397 52.037 -0.075 0.000 0.636 2425 A CB -1.018 17.921 19.000 -0.102 0.000 0.815 2425 A HN 1.161 nan 8.150 nan 0.000 0.449 2426 A N -0.576 122.215 122.820 -0.050 0.000 1.902 2426 A HA -0.143 4.168 4.320 -0.015 0.000 0.217 2426 A C 2.221 179.852 177.584 0.078 0.000 1.181 2426 A CA 1.761 53.821 52.037 0.040 0.000 0.623 2426 A CB -0.435 18.555 19.000 -0.015 0.000 0.818 2426 A HN 0.536 nan 8.150 nan 0.000 0.443 2427 R N -0.889 119.623 120.500 0.019 0.000 2.081 2427 R HA -0.095 4.236 4.340 -0.015 0.000 0.235 2427 R C 2.246 178.569 176.300 0.038 0.000 1.131 2427 R CA 2.017 58.134 56.100 0.029 0.000 0.960 2427 R CB -0.536 29.767 30.300 0.005 0.000 0.856 2427 R HN 0.522 nan 8.270 nan 0.000 0.436 2428 T N 0.053 114.614 114.554 0.013 0.000 2.643 2428 T HA -0.130 4.211 4.350 -0.015 0.000 0.264 2428 T C 1.815 176.527 174.700 0.020 0.000 1.045 2428 T CA 1.622 63.724 62.100 0.004 0.000 1.155 2428 T CB -0.269 68.583 68.868 -0.028 0.000 0.863 2428 T HN 0.006 nan 8.240 nan 0.000 0.420 2429 V N 1.821 121.747 119.914 0.020 0.000 2.233 2429 V HA -0.233 3.878 4.120 -0.015 0.000 0.247 2429 V C 2.583 178.751 176.094 0.123 0.000 1.050 2429 V CA 1.927 64.253 62.300 0.043 0.000 1.010 2429 V CB -0.693 31.118 31.823 -0.020 0.000 0.637 2429 V HN 0.473 nan 8.190 nan 0.000 0.444 2430 M N -0.164 119.553 119.600 0.194 0.000 2.144 2430 M HA -0.211 4.260 4.480 -0.015 0.000 0.260 2430 M C 2.405 178.784 176.300 0.133 0.000 1.067 2430 M CA 1.977 57.332 55.300 0.091 0.000 1.095 2430 M CB -0.658 31.987 32.600 0.075 0.000 1.365 2430 M HN 0.355 nan 8.290 nan 0.000 0.406 2431 S N 0.334 116.107 115.700 0.122 0.000 2.400 2431 S HA -0.094 4.367 4.470 -0.015 0.000 0.232 2431 S C 1.709 176.369 174.600 0.099 0.000 1.025 2431 S CA 1.461 59.728 58.200 0.112 0.000 0.993 2431 S CB -0.223 63.016 63.200 0.066 0.000 0.808 2431 S HN 0.606 nan 8.310 nan 0.000 0.478 2432 A N -0.025 122.841 122.820 0.076 0.000 2.430 2432 A HA 0.457 4.768 4.320 -0.015 0.000 0.243 2432 A C 0.731 178.350 177.584 0.060 0.000 1.254 2432 A CA -0.316 51.754 52.037 0.056 0.000 0.914 2432 A CB -0.039 18.978 19.000 0.029 0.000 0.998 2432 A HN 0.337 nan 8.150 nan 0.000 0.515 2433 L N 0.000 121.270 121.223 0.079 0.000 2.949 2433 L HA 0.000 4.331 4.340 -0.015 0.000 0.249 2433 L CA 0.000 54.865 54.840 0.042 0.000 0.813 2433 L CB 0.000 41.991 42.059 -0.113 0.000 0.961 2433 L HN 0.000 nan 8.230 nan 0.000 0.502