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 3fq7_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 0.000 175.810 175.800 0.017 0.000 0.967 2007 F CA 0.000 58.000 58.000 -0.001 0.000 1.383 2007 F CB 0.000 39.007 39.000 0.011 0.000 1.145 2008 K N 1.926 122.128 120.400 -0.330 0.000 2.205 2008 K HA 0.703 6.293 4.320 2.116 0.000 0.279 2008 K C -0.019 176.292 176.600 -0.482 0.000 1.027 2008 K CA 0.136 56.237 56.287 -0.309 0.000 0.932 2008 K CB 1.531 33.940 32.500 -0.153 0.000 1.032 2008 K HN 0.509 nan 8.250 nan 0.000 0.466 2009 T N 0.476 114.835 114.554 -0.324 0.000 3.399 2009 T HA 0.173 5.793 4.350 2.116 0.000 0.305 2009 T C 1.220 175.859 174.700 -0.103 0.000 0.983 2009 T CA -0.531 61.421 62.100 -0.247 0.000 0.967 2009 T CB -0.180 68.553 68.868 -0.226 0.000 1.186 2009 T HN 0.513 nan 8.240 nan 0.000 0.504 2010 I N 2.311 122.831 120.570 -0.084 0.000 2.113 2010 I HA -0.192 5.248 4.170 2.116 0.000 0.242 2010 I C 2.413 178.521 176.117 -0.014 0.000 1.064 2010 I CA 1.674 62.953 61.300 -0.035 0.000 1.320 2010 I CB -0.902 37.079 38.000 -0.032 0.000 1.028 2010 I HN 0.382 nan 8.210 nan 0.000 0.406 2011 K N 0.398 120.787 120.400 -0.017 0.000 2.057 2011 K HA -0.104 5.486 4.320 2.116 0.000 0.207 2011 K C 2.332 178.947 176.600 0.024 0.000 1.049 2011 K CA 1.585 57.875 56.287 0.005 0.000 0.931 2011 K CB -0.168 32.335 32.500 0.005 0.000 0.714 2011 K HN 0.165 nan 8.250 nan 0.000 0.440 2012 S N 1.322 117.031 115.700 0.015 0.000 2.368 2012 S HA -0.149 5.591 4.470 2.116 0.000 0.225 2012 S C 1.376 176.017 174.600 0.068 0.000 1.030 2012 S CA 1.487 59.706 58.200 0.032 0.000 0.999 2012 S CB -0.280 62.918 63.200 -0.004 0.000 0.844 2012 S HN 0.278 nan 8.310 nan 0.000 0.459 2013 D N 1.170 121.602 120.400 0.053 0.000 2.117 2013 D HA -0.094 5.816 4.640 2.116 0.000 0.197 2013 D C 1.977 178.340 176.300 0.106 0.000 0.987 2013 D CA 0.962 55.021 54.000 0.099 0.000 0.829 2013 D CB -0.331 40.506 40.800 0.062 0.000 0.961 2013 D HN 0.513 nan 8.370 nan 0.000 0.460 2014 E N 0.402 120.640 120.200 0.063 0.000 2.023 2014 E HA -0.137 5.483 4.350 2.116 0.000 0.196 2014 E C 2.429 179.062 176.600 0.054 0.000 1.003 2014 E CA 0.625 57.052 56.400 0.045 0.000 0.809 2014 E CB -0.108 29.609 29.700 0.028 0.000 0.755 2014 E HN 0.274 nan 8.360 nan 0.000 0.449 2015 I N 0.399 121.012 120.570 0.072 0.000 2.208 2015 I HA -0.266 5.174 4.170 2.116 0.000 0.245 2015 I C 2.340 178.527 176.117 0.117 0.000 1.097 2015 I CA 0.933 62.281 61.300 0.079 0.000 1.363 2015 I CB -0.226 37.825 38.000 0.085 0.000 1.051 2015 I HN 0.098 nan 8.210 nan 0.000 0.413 2016 F N 1.732 121.678 119.950 -0.007 0.000 2.234 2016 F HA -0.110 5.693 4.527 2.126 0.000 0.299 2016 F C 2.409 178.208 175.800 -0.002 0.000 1.087 2016 F CA 0.983 58.978 58.000 -0.009 0.000 1.340 2016 F CB -0.408 38.579 39.000 -0.023 0.000 1.031 2016 F HN -0.013 nan 8.300 nan 0.000 0.500 2017 A N 0.425 123.206 122.820 -0.064 0.000 1.877 2017 A HA -0.052 5.538 4.320 2.116 0.000 0.216 2017 A C 2.458 179.943 177.584 -0.164 0.000 1.186 2017 A CA 1.859 53.805 52.037 -0.152 0.000 0.620 2017 A CB -1.542 17.439 19.000 -0.032 0.000 0.822 2017 A HN 0.451 nan 8.150 nan 0.000 0.443 2018 A N -0.174 122.594 122.820 -0.086 0.000 1.902 2018 A HA 0.181 5.771 4.320 2.116 0.000 0.217 2018 A C 2.507 180.035 177.584 -0.093 0.000 1.181 2018 A CA 2.025 54.021 52.037 -0.067 0.000 0.623 2018 A CB -1.045 17.940 19.000 -0.025 0.000 0.818 2018 A HN 1.096 nan 8.150 nan 0.000 0.443 2019 A N -0.440 122.316 122.820 -0.108 0.000 1.940 2019 A HA -0.257 5.333 4.320 2.116 0.000 0.219 2019 A C 2.046 179.533 177.584 -0.162 0.000 1.176 2019 A CA 1.697 53.675 52.037 -0.099 0.000 0.631 2019 A CB -0.650 18.329 19.000 -0.035 0.000 0.814 2019 A HN 0.672 nan 8.150 nan 0.000 0.446 2020 Q N -0.969 118.647 119.800 -0.306 0.000 2.364 2020 Q HA -0.145 5.465 4.340 2.116 0.000 0.209 2020 Q C 1.928 177.841 176.000 -0.145 0.000 0.977 2020 Q CA 1.444 57.082 55.803 -0.276 0.000 0.885 2020 Q CB -0.126 28.378 28.738 -0.391 0.000 0.941 2020 Q HN 0.745 nan 8.270 nan 0.000 0.464 2021 K N 0.446 120.778 120.400 -0.114 0.000 2.356 2021 K HA 0.029 5.619 4.320 2.116 0.000 0.195 2021 K C 1.481 178.052 176.600 -0.048 0.000 1.037 2021 K CA 0.201 56.447 56.287 -0.070 0.000 1.014 2021 K CB 0.419 32.884 32.500 -0.059 0.000 0.815 2021 K HN 0.153 nan 8.250 nan 0.000 0.507 2022 L N -0.061 121.134 121.223 -0.048 0.000 2.425 2022 L HA 0.284 5.894 4.340 2.116 0.000 0.215 2022 L C 0.698 177.557 176.870 -0.019 0.000 1.065 2022 L CA 0.024 54.848 54.840 -0.026 0.000 0.842 2022 L CB 0.268 42.316 42.059 -0.018 0.000 1.033 2022 L HN 0.052 nan 8.230 nan 0.000 0.474 2023 M N -0.608 118.976 119.600 -0.026 0.000 2.572 2023 M HA 0.425 6.174 4.480 2.116 0.000 0.299 2023 M C -2.613 173.676 176.300 -0.018 0.000 1.205 2023 M CA -1.896 53.397 55.300 -0.011 0.000 0.876 2023 M CB 2.023 34.627 32.600 0.005 0.000 1.728 2023 M HN -0.388 nan 8.290 nan 0.000 0.458 2024 P HA 0.075 nan 4.420 nan 0.000 0.261 2024 P C 0.792 178.096 177.300 0.008 0.000 1.203 2024 P CA 1.123 64.221 63.100 -0.003 0.000 0.767 2024 P CB 0.162 31.864 31.700 0.003 0.000 0.785 2025 G N 3.588 112.386 108.800 -0.003 0.000 2.175 2025 G HA2 -0.210 5.020 3.960 2.116 0.000 0.265 2025 G HA3 -0.210 5.020 3.960 2.116 0.000 0.265 2025 G C 0.884 175.797 174.900 0.022 0.000 0.979 2025 G CA 0.473 45.591 45.100 0.030 0.000 0.663 2025 G HN 1.009 nan 8.290 nan 0.000 0.533 2026 G N -2.367 106.399 108.800 -0.056 0.000 2.225 2026 G HA2 0.147 5.377 3.960 2.116 0.000 0.267 2026 G HA3 0.147 5.377 3.960 2.116 0.000 0.267 2026 G C 0.751 175.733 174.900 0.136 0.000 1.024 2026 G CA 1.520 46.565 45.100 -0.092 0.000 0.784 2026 G HN 2.428 nan 8.290 nan 0.000 0.507 2027 V N -5.171 114.820 119.914 0.129 0.000 3.188 2027 V HA 0.879 6.269 4.120 2.116 0.000 0.305 2027 V C 0.722 176.858 176.094 0.070 0.000 1.232 2027 V CA 0.221 62.603 62.300 0.137 0.000 1.043 2027 V CB 1.424 33.349 31.823 0.170 0.000 1.068 2027 V HN 0.233 nan 8.190 nan 0.000 0.439 2028 S N 0.506 116.240 115.700 0.057 0.000 2.524 2028 S HA 0.306 6.046 4.470 2.116 0.000 0.216 2028 S C 0.650 175.256 174.600 0.010 0.000 0.987 2028 S CA 0.870 59.091 58.200 0.035 0.000 0.909 2028 S CB 0.051 63.276 63.200 0.041 0.000 0.781 2028 S HN 0.963 nan 8.310 nan 0.000 0.521 2029 S N 0.163 115.863 115.700 0.001 0.000 2.603 2029 S HA 0.403 6.143 4.470 2.116 0.000 0.274 2029 S C -2.334 172.233 174.600 -0.055 0.000 1.168 2029 S CA -1.379 56.787 58.200 -0.056 0.000 0.963 2029 S CB 1.341 64.484 63.200 -0.095 0.000 1.078 2029 S HN -0.167 nan 8.310 nan 0.000 0.477 2030 P HA -0.209 nan 4.420 nan 0.000 0.219 2030 P C 1.533 178.806 177.300 -0.044 0.000 1.159 2030 P CA 1.301 64.363 63.100 -0.064 0.000 0.944 2030 P CB 0.010 31.638 31.700 -0.120 0.000 0.792 2031 V N -0.167 119.669 119.914 -0.130 0.000 2.546 2031 V HA -0.307 5.083 4.120 2.116 0.000 0.254 2031 V C 2.206 178.340 176.094 0.068 0.000 1.076 2031 V CA 1.906 64.145 62.300 -0.101 0.000 1.087 2031 V CB -0.845 30.791 31.823 -0.312 0.000 0.674 2031 V HN 0.093 nan 8.190 nan 0.000 0.470 2032 R N 0.061 120.617 120.500 0.093 0.000 2.237 2032 R HA -0.004 5.606 4.340 2.116 0.000 0.219 2032 R C 2.143 178.574 176.300 0.218 0.000 1.080 2032 R CA 1.070 57.303 56.100 0.221 0.000 0.995 2032 R CB -0.469 29.916 30.300 0.141 0.000 0.875 2032 R HN 0.591 nan 8.270 nan 0.000 0.462 2033 A N 0.346 123.274 122.820 0.179 0.000 2.209 2033 A HA -0.051 5.539 4.320 2.116 0.000 0.212 2033 A C 0.341 178.055 177.584 0.217 0.000 1.158 2033 A CA 0.239 52.376 52.037 0.166 0.000 0.742 2033 A CB -0.360 18.775 19.000 0.225 0.000 0.790 2033 A HN 0.386 nan 8.150 nan 0.000 0.472 2034 F N -1.927 117.998 119.950 -0.042 0.000 3.006 2034 F HA -0.274 5.570 4.527 2.196 0.000 0.289 2034 F C 1.517 177.309 175.800 -0.013 0.000 0.772 2034 F CA 0.823 58.794 58.000 -0.049 0.000 1.162 2034 F CB -1.564 37.384 39.000 -0.086 0.000 1.382 2034 F HN 0.216 nan 8.300 nan 0.000 0.406 2035 K N -0.561 119.930 120.400 0.152 0.000 2.103 2035 K HA -0.083 5.507 4.320 2.116 0.000 0.207 2035 K C 1.827 178.474 176.600 0.078 0.000 1.048 2035 K CA 1.627 57.983 56.287 0.114 0.000 0.930 2035 K CB -0.407 32.149 32.500 0.094 0.000 0.716 2035 K HN 0.353 nan 8.250 nan 0.000 0.444 2036 S N 0.367 116.093 115.700 0.044 0.000 2.607 2036 S HA -0.011 5.728 4.470 2.116 0.000 0.224 2036 S C 1.182 175.804 174.600 0.036 0.000 0.969 2036 S CA 0.230 58.459 58.200 0.048 0.000 0.927 2036 S CB 0.374 63.605 63.200 0.051 0.000 0.772 2036 S HN 0.059 nan 8.310 nan 0.000 0.533 2037 V N 0.194 120.098 119.914 -0.016 0.000 2.967 2037 V HA 0.530 5.920 4.120 2.116 0.000 0.364 2037 V C 0.770 176.887 176.094 0.038 0.000 1.373 2037 V CA 0.627 62.896 62.300 -0.052 0.000 1.193 2037 V CB 0.037 31.638 31.823 -0.370 0.000 1.236 2037 V HN 0.479 nan 8.190 nan 0.000 0.582 2038 G N 0.038 108.895 108.800 0.095 0.000 2.352 2038 G HA2 0.038 5.268 3.960 2.116 0.000 0.204 2038 G HA3 0.038 5.268 3.960 2.116 0.000 0.204 2038 G C 1.332 176.327 174.900 0.158 0.000 1.004 2038 G CA 0.322 45.500 45.100 0.131 0.000 0.648 2038 G HN 1.870 nan 8.290 nan 0.000 0.491 2039 G N -0.405 108.515 108.800 0.200 0.000 2.147 2039 G HA2 -0.202 5.028 3.960 2.116 0.000 0.244 2039 G HA3 -0.202 5.028 3.960 2.116 0.000 0.244 2039 G C 0.031 175.000 174.900 0.115 0.000 1.005 2039 G CA 1.077 46.288 45.100 0.185 0.000 0.713 2039 G HN 1.141 nan 8.290 nan 0.000 0.515 2040 Q N 0.521 120.378 119.800 0.096 0.000 2.700 2040 Q HA 0.279 5.889 4.340 2.116 0.000 0.249 2040 Q C -2.433 173.258 176.000 -0.516 0.000 1.033 2040 Q CA -1.652 54.093 55.803 -0.097 0.000 0.804 2040 Q CB 2.463 31.234 28.738 0.054 0.000 1.164 2040 Q HN 0.402 nan 8.270 nan 0.000 0.500 2041 P HA 0.211 nan 4.420 nan 0.000 0.276 2041 P C -0.397 176.445 177.300 -0.764 0.000 1.244 2041 P CA -0.267 61.935 63.100 -1.496 0.000 0.801 2041 P CB 1.092 32.082 31.700 -1.184 0.000 1.006 2042 I N -1.175 119.076 120.570 -0.530 0.000 2.412 2042 I HA 0.474 5.913 4.170 2.116 0.000 0.296 2042 I C -0.338 175.772 176.117 -0.011 0.000 0.987 2042 I CA -1.436 59.794 61.300 -0.116 0.000 1.180 2042 I CB 1.796 39.851 38.000 0.092 0.000 1.340 2042 I HN -0.073 nan 8.210 nan 0.000 0.455 2043 V N 6.102 126.053 119.914 0.063 0.000 2.406 2043 V HA 0.319 5.709 4.120 2.116 0.000 0.272 2043 V C 0.107 176.376 176.094 0.290 0.000 1.043 2043 V CA -0.160 62.210 62.300 0.116 0.000 0.915 2043 V CB 0.553 32.430 31.823 0.089 0.000 0.988 2043 V HN 0.523 nan 8.190 nan 0.000 0.466 2044 F N 2.621 122.544 119.950 -0.044 0.000 2.418 2044 F HA 0.148 5.942 4.527 2.112 0.000 0.341 2044 F C 1.249 177.056 175.800 0.013 0.000 1.120 2044 F CA -0.151 57.829 58.000 -0.033 0.000 1.232 2044 F CB 1.327 40.274 39.000 -0.088 0.000 1.175 2044 F HN 0.605 nan 8.300 nan 0.000 0.569 2045 D N 0.508 121.024 120.400 0.192 0.000 2.525 2045 D HA 0.094 6.004 4.640 2.116 0.000 0.248 2045 D C -0.095 176.264 176.300 0.097 0.000 1.000 2045 D CA 0.238 54.309 54.000 0.118 0.000 0.923 2045 D CB 0.543 41.389 40.800 0.077 0.000 1.101 2045 D HN 0.570 nan 8.370 nan 0.000 0.493 2046 R N -0.704 119.864 120.500 0.115 0.000 2.716 2046 R HA 0.587 6.197 4.340 2.116 0.000 0.271 2046 R C -1.641 174.759 176.300 0.167 0.000 1.028 2046 R CA -1.018 55.139 56.100 0.096 0.000 0.883 2046 R CB 1.477 31.774 30.300 -0.004 0.000 1.250 2046 R HN -0.056 nan 8.270 nan 0.000 0.465 2047 V N -1.897 118.087 119.914 0.117 0.000 2.925 2047 V HA 0.819 6.209 4.120 2.116 0.000 0.311 2047 V C -0.928 175.299 176.094 0.223 0.000 1.104 2047 V CA -0.852 61.482 62.300 0.056 0.000 0.954 2047 V CB 2.041 33.562 31.823 -0.503 0.000 1.022 2047 V HN 0.976 nan 8.190 nan 0.000 0.427 2048 K N 2.114 122.752 120.400 0.397 0.000 2.557 2048 K HA 0.429 6.019 4.320 2.116 0.000 0.257 2048 K C -0.667 176.086 176.600 0.255 0.000 0.933 2048 K CA -0.165 56.334 56.287 0.355 0.000 0.820 2048 K CB 1.894 34.609 32.500 0.357 0.000 1.330 2048 K HN 1.014 nan 8.250 nan 0.000 0.432 2049 D N 1.150 121.615 120.400 0.108 0.000 3.996 2049 D HA -0.298 5.611 4.640 2.116 0.000 0.140 2049 D C 0.411 176.548 176.300 -0.272 0.000 0.829 2049 D CA 2.202 56.146 54.000 -0.093 0.000 1.111 2049 D CB -0.992 39.732 40.800 -0.127 0.000 0.516 2049 D HN 0.644 nan 8.370 nan 0.000 0.517 2050 A N 0.230 122.611 122.820 -0.731 0.000 2.423 2050 A HA 0.377 5.967 4.320 2.116 0.000 0.246 2050 A C -0.144 176.891 177.584 -0.915 0.000 1.278 2050 A CA 0.029 51.449 52.037 -1.029 0.000 0.903 2050 A CB -0.035 17.989 19.000 -1.626 0.000 0.997 2050 A HN 0.352 nan 8.150 nan 0.000 0.510 2051 Y N -1.462 118.716 120.300 -0.204 0.000 2.587 2051 Y HA 0.706 6.524 4.550 2.114 0.000 0.337 2051 Y C 0.377 176.015 175.900 -0.437 0.000 1.065 2051 Y CA -0.942 56.895 58.100 -0.440 0.000 1.126 2051 Y CB 1.714 39.679 38.460 -0.827 0.000 1.279 2051 Y HN 0.114 nan 8.280 nan 0.000 0.489 2052 A N 1.172 123.696 122.820 -0.493 0.000 2.475 2052 A HA 0.670 6.260 4.320 2.116 0.000 0.301 2052 A C -1.951 175.262 177.584 -0.618 0.000 1.059 2052 A CA -0.642 51.049 52.037 -0.577 0.000 0.710 2052 A CB 1.291 19.687 19.000 -1.006 0.000 1.288 2052 A HN 0.753 nan 8.150 nan 0.000 0.408 2053 W N 1.445 122.530 121.300 -0.360 0.000 2.587 2053 W HA 0.281 6.214 4.660 2.122 0.000 0.324 2053 W C -0.813 175.594 176.519 -0.188 0.000 1.040 2053 W CA -0.488 56.740 57.345 -0.194 0.000 1.222 2053 W CB 1.900 31.282 29.460 -0.129 0.000 1.381 2053 W HN 0.745 nan 8.180 nan 0.000 0.483 2054 D N 0.690 121.180 120.400 0.150 0.000 2.362 2054 D HA -0.050 5.859 4.640 2.116 0.000 0.238 2054 D C 0.863 177.238 176.300 0.126 0.000 1.212 2054 D CA 0.227 54.325 54.000 0.162 0.000 0.902 2054 D CB 1.905 42.822 40.800 0.195 0.000 1.180 2054 D HN 0.123 nan 8.370 nan 0.000 0.445 2055 V N 1.420 121.396 119.914 0.104 0.000 3.510 2055 V HA -0.059 5.331 4.120 2.116 0.000 0.270 2055 V C 0.658 176.776 176.094 0.039 0.000 1.201 2055 V CA 1.199 63.542 62.300 0.072 0.000 1.166 2055 V CB -0.154 31.712 31.823 0.071 0.000 0.825 2055 V HN 0.407 nan 8.190 nan 0.000 0.484 2056 D N -0.313 120.106 120.400 0.031 0.000 2.398 2056 D HA 0.255 6.165 4.640 2.116 0.000 0.210 2056 D C 1.622 177.920 176.300 -0.004 0.000 1.094 2056 D CA 0.931 54.925 54.000 -0.011 0.000 0.839 2056 D CB 1.132 41.892 40.800 -0.068 0.000 0.963 2056 D HN 0.529 nan 8.370 nan 0.000 0.506 2057 G N 1.546 110.372 108.800 0.043 0.000 2.217 2057 G HA2 -0.265 4.965 3.960 2.116 0.000 0.246 2057 G HA3 -0.265 4.965 3.960 2.116 0.000 0.246 2057 G C 0.214 175.157 174.900 0.071 0.000 0.990 2057 G CA -0.331 44.811 45.100 0.070 0.000 0.627 2057 G HN 0.317 nan 8.290 nan 0.000 0.522 2058 N N 0.835 119.528 118.700 -0.012 0.000 2.492 2058 N HA 0.416 6.426 4.740 2.116 0.000 0.262 2058 N C 0.341 175.650 175.510 -0.335 0.000 1.202 2058 N CA 0.054 52.998 53.050 -0.178 0.000 0.926 2058 N CB 0.501 38.867 38.487 -0.202 0.000 1.078 2058 N HN 0.325 nan 8.380 nan 0.000 0.454 2059 R N 2.543 122.721 120.500 -0.536 0.000 2.514 2059 R HA 0.351 5.961 4.340 2.116 0.000 0.301 2059 R C -1.556 174.257 176.300 -0.812 0.000 0.962 2059 R CA -0.366 55.261 56.100 -0.787 0.000 0.882 2059 R CB 0.586 30.459 30.300 -0.711 0.000 1.143 2059 R HN 0.568 nan 8.270 nan 0.000 0.452 2060 Y N 2.712 122.716 120.300 -0.494 0.000 2.536 2060 Y HA 0.464 6.286 4.550 2.121 0.000 0.347 2060 Y C 0.330 176.126 175.900 -0.174 0.000 1.000 2060 Y CA -0.927 57.027 58.100 -0.244 0.000 1.051 2060 Y CB 1.838 40.223 38.460 -0.125 0.000 1.259 2060 Y HN 0.354 nan 8.280 nan 0.000 0.468 2061 I N 2.501 123.152 120.570 0.134 0.000 2.312 2061 I HA 0.111 5.551 4.170 2.116 0.000 0.291 2061 I C -0.445 175.674 176.117 0.003 0.000 1.031 2061 I CA -0.231 61.113 61.300 0.074 0.000 1.293 2061 I CB 0.579 38.644 38.000 0.108 0.000 1.403 2061 I HN 0.547 nan 8.210 nan 0.000 0.484 2062 D N 6.065 126.399 120.400 -0.110 0.000 2.295 2062 D HA 0.117 6.027 4.640 2.116 0.000 0.248 2062 D C -0.382 175.894 176.300 -0.039 0.000 1.154 2062 D CA 0.107 54.142 54.000 0.058 0.000 0.857 2062 D CB 0.725 41.618 40.800 0.155 0.000 1.117 2062 D HN 0.310 nan 8.370 nan 0.000 0.468 2063 Y N 2.323 122.825 120.300 0.337 0.000 2.660 2063 Y HA 0.169 5.988 4.550 2.115 0.000 0.254 2063 Y C 1.451 177.461 175.900 0.183 0.000 1.176 2063 Y CA -0.213 58.046 58.100 0.265 0.000 1.195 2063 Y CB 0.807 39.418 38.460 0.251 0.000 1.190 2063 Y HN 0.285 nan 8.280 nan 0.000 0.535 2064 V N -1.420 118.650 119.914 0.260 0.000 2.922 2064 V HA 0.196 5.585 4.120 2.116 0.000 0.242 2064 V C 1.633 177.775 176.094 0.080 0.000 1.094 2064 V CA 0.848 63.167 62.300 0.031 0.000 1.106 2064 V CB -0.335 31.348 31.823 -0.234 0.000 0.799 2064 V HN 0.452 nan 8.190 nan 0.000 0.474 2065 G N 1.481 110.369 108.800 0.146 0.000 2.393 2065 G HA2 -0.363 4.867 3.960 2.116 0.000 0.299 2065 G HA3 -0.363 4.867 3.960 2.116 0.000 0.299 2065 G C 0.572 175.500 174.900 0.046 0.000 0.990 2065 G CA 1.307 46.443 45.100 0.061 0.000 1.118 2065 G HN 0.873 nan 8.290 nan 0.000 0.513 2066 T N -1.744 112.875 114.554 0.109 0.000 3.799 2066 T HA -0.306 5.314 4.350 2.116 0.000 0.358 2066 T C 1.105 175.892 174.700 0.145 0.000 0.759 2066 T CA 2.205 64.361 62.100 0.094 0.000 1.869 2066 T CB -1.786 67.210 68.868 0.213 0.000 1.837 2066 T HN 2.082 nan 8.240 nan 0.000 0.762 2067 W N -2.795 118.570 121.300 0.107 0.000 4.301 2067 W HA -0.130 5.783 4.660 2.088 0.000 0.360 2067 W C 1.303 177.611 176.519 -0.351 0.000 1.371 2067 W CA 0.757 58.123 57.345 0.034 0.000 0.781 2067 W CB -1.950 27.577 29.460 0.112 0.000 2.488 2067 W HN 1.263 nan 8.180 nan 0.000 1.350 2068 G N -4.127 104.329 108.800 -0.573 0.000 2.697 2068 G HA2 -0.253 4.977 3.960 2.116 0.000 0.200 2068 G HA3 -0.253 4.977 3.960 2.116 0.000 0.200 2068 G C -0.556 174.187 174.900 -0.263 0.000 1.106 2068 G CA -0.010 44.688 45.100 -0.671 0.000 0.748 2068 G HN 0.176 nan 8.290 nan 0.000 0.503 2069 P HA 0.076 nan 4.420 nan 0.000 0.216 2069 P C 1.603 178.876 177.300 -0.046 0.000 1.153 2069 P CA 2.414 65.496 63.100 -0.030 0.000 0.858 2069 P CB -0.139 31.579 31.700 0.030 0.000 0.789 2070 A N -0.974 121.804 122.820 -0.071 0.000 2.478 2070 A HA 0.022 5.612 4.320 2.116 0.000 0.239 2070 A C 1.632 179.139 177.584 -0.129 0.000 1.480 2070 A CA -0.022 51.936 52.037 -0.132 0.000 1.308 2070 A CB -1.993 16.794 19.000 -0.356 0.000 0.899 2070 A HN 0.197 nan 8.150 nan 0.000 0.600 2071 I N -1.389 119.142 120.570 -0.065 0.000 2.454 2071 I HA -0.241 5.199 4.170 2.116 0.000 0.254 2071 I C 1.484 177.594 176.117 -0.011 0.000 1.156 2071 I CA 1.354 62.643 61.300 -0.019 0.000 1.433 2071 I CB 0.100 38.112 38.000 0.020 0.000 1.082 2071 I HN 0.488 nan 8.210 nan 0.000 0.432 2072 C N 1.852 121.138 119.300 -0.024 0.000 2.626 2072 C HA 0.441 6.171 4.460 2.116 0.000 0.266 2072 C C 1.060 176.094 174.990 0.075 0.000 1.317 2072 C CA 0.411 59.433 59.018 0.006 0.000 1.716 2072 C CB -1.812 25.884 27.740 -0.074 0.000 1.819 2072 C HN 0.773 nan 8.230 nan 0.000 0.578 2073 G N -0.279 108.510 108.800 -0.020 0.000 2.650 2073 G HA2 -0.060 5.170 3.960 2.116 0.000 0.686 2073 G HA3 -0.060 5.170 3.960 2.116 0.000 0.686 2073 G C -0.937 173.922 174.900 -0.067 0.000 1.205 2073 G CA -0.951 44.099 45.100 -0.083 0.000 0.781 2073 G HN 0.570 nan 8.290 nan 0.000 0.648 2074 H N 0.358 119.441 119.070 0.022 0.000 2.790 2074 H HA 0.452 6.277 4.556 2.114 0.000 0.358 2074 H C 1.378 176.743 175.328 0.062 0.000 1.103 2074 H CA 1.185 57.264 56.048 0.052 0.000 1.426 2074 H CB 1.077 30.875 29.762 0.060 0.000 1.424 2074 H HN 2.107 nan 8.280 nan 0.000 0.599 2075 A N 1.921 124.868 122.820 0.212 0.000 2.511 2075 A HA -0.261 5.328 4.320 2.116 0.000 0.297 2075 A C 0.289 177.935 177.584 0.103 0.000 1.476 2075 A CA 0.664 52.780 52.037 0.132 0.000 0.757 2075 A CB -2.179 16.883 19.000 0.104 0.000 1.072 2075 A HN 0.813 nan 8.150 nan 0.000 0.413 2076 H N 0.396 119.487 119.070 0.035 0.000 3.046 2076 H HA 0.131 5.956 4.556 2.116 0.000 0.303 2076 H C -1.092 174.240 175.328 0.008 0.000 1.002 2076 H CA -0.635 55.419 56.048 0.011 0.000 1.460 2076 H CB 0.656 30.415 29.762 -0.006 0.000 1.493 2076 H HN 0.212 nan 8.280 nan 0.000 0.559 2077 P HA -0.215 nan 4.420 nan 0.000 0.217 2077 P C 1.009 178.375 177.300 0.111 0.000 1.158 2077 P CA 1.868 64.951 63.100 -0.029 0.000 0.887 2077 P CB 0.275 31.894 31.700 -0.135 0.000 0.792 2078 E N -1.073 119.311 120.200 0.306 0.000 2.152 2078 E HA -0.078 5.541 4.350 2.116 0.000 0.192 2078 E C 1.909 178.582 176.600 0.121 0.000 0.983 2078 E CA 0.768 57.289 56.400 0.201 0.000 0.818 2078 E CB -0.357 29.461 29.700 0.198 0.000 0.758 2078 E HN 0.105 nan 8.360 nan 0.000 0.467 2079 V N 2.317 122.324 119.914 0.155 0.000 2.323 2079 V HA -0.219 5.170 4.120 2.116 0.000 0.244 2079 V C 2.476 178.599 176.094 0.049 0.000 1.041 2079 V CA 1.683 64.017 62.300 0.056 0.000 1.025 2079 V CB -0.594 31.256 31.823 0.046 0.000 0.656 2079 V HN 0.367 nan 8.190 nan 0.000 0.451 2080 I N -1.230 119.380 120.570 0.066 0.000 2.286 2080 I HA -0.184 5.255 4.170 2.116 0.000 0.248 2080 I C 2.366 178.499 176.117 0.026 0.000 1.115 2080 I CA 2.052 63.376 61.300 0.039 0.000 1.392 2080 I CB -0.596 37.426 38.000 0.036 0.000 1.065 2080 I HN 0.336 nan 8.210 nan 0.000 0.418 2081 E N 1.870 122.089 120.200 0.032 0.000 2.072 2081 E HA -0.201 5.419 4.350 2.116 0.000 0.191 2081 E C 2.304 178.913 176.600 0.015 0.000 0.985 2081 E CA 1.413 57.825 56.400 0.021 0.000 0.801 2081 E CB -0.015 29.699 29.700 0.024 0.000 0.750 2081 E HN 0.648 nan 8.360 nan 0.000 0.452 2082 A N 1.155 123.983 122.820 0.015 0.000 1.933 2082 A HA -0.131 5.458 4.320 2.116 0.000 0.218 2082 A C 2.280 179.862 177.584 -0.004 0.000 1.175 2082 A CA 0.965 53.003 52.037 0.003 0.000 0.628 2082 A CB -0.550 18.447 19.000 -0.005 0.000 0.814 2082 A HN 0.265 nan 8.150 nan 0.000 0.444 2083 L N -0.963 120.258 121.223 -0.003 0.000 2.072 2083 L HA -0.160 5.450 4.340 2.116 0.000 0.205 2083 L C 2.568 179.435 176.870 -0.005 0.000 1.079 2083 L CA 1.499 56.333 54.840 -0.010 0.000 0.752 2083 L CB -0.432 41.622 42.059 -0.007 0.000 0.906 2083 L HN 0.340 nan 8.230 nan 0.000 0.436 2084 K N -0.308 120.093 120.400 0.002 0.000 2.063 2084 K HA -0.163 5.426 4.320 2.116 0.000 0.208 2084 K C 2.023 178.626 176.600 0.005 0.000 1.048 2084 K CA 1.302 57.591 56.287 0.004 0.000 0.928 2084 K CB -0.188 32.315 32.500 0.005 0.000 0.713 2084 K HN 0.102 nan 8.250 nan 0.000 0.442 2085 V N 0.911 120.828 119.914 0.006 0.000 2.379 2085 V HA -0.202 5.188 4.120 2.116 0.000 0.245 2085 V C 2.262 178.363 176.094 0.012 0.000 1.044 2085 V CA 1.934 64.240 62.300 0.009 0.000 1.036 2085 V CB -0.478 31.350 31.823 0.009 0.000 0.664 2085 V HN 0.354 nan 8.190 nan 0.000 0.453 2086 A N 1.039 123.862 122.820 0.004 0.000 1.933 2086 A HA -0.228 5.361 4.320 2.116 0.000 0.218 2086 A C 2.227 179.815 177.584 0.007 0.000 1.175 2086 A CA 2.135 54.174 52.037 0.003 0.000 0.628 2086 A CB -0.533 18.453 19.000 -0.023 0.000 0.814 2086 A HN 0.673 nan 8.150 nan 0.000 0.444 2087 M N -1.705 117.895 119.600 -0.001 0.000 2.549 2087 M HA 0.023 5.773 4.480 2.116 0.000 0.260 2087 M C 1.315 177.630 176.300 0.026 0.000 1.076 2087 M CA 1.962 57.263 55.300 0.003 0.000 1.090 2087 M CB -0.512 32.085 32.600 -0.004 0.000 1.418 2087 M HN 0.217 nan 8.290 nan 0.000 0.486 2088 E N 1.859 122.077 120.200 0.029 0.000 2.204 2088 E HA -0.060 5.560 4.350 2.116 0.000 0.194 2088 E C 1.375 178.009 176.600 0.057 0.000 0.989 2088 E CA 1.118 57.539 56.400 0.035 0.000 0.824 2088 E CB 0.055 29.771 29.700 0.028 0.000 0.756 2088 E HN 0.568 nan 8.360 nan 0.000 0.477 2089 K N -0.712 119.737 120.400 0.082 0.000 2.444 2089 K HA 0.226 5.815 4.320 2.116 0.000 0.193 2089 K C 0.071 176.812 176.600 0.235 0.000 1.024 2089 K CA 0.398 56.771 56.287 0.143 0.000 1.077 2089 K CB 0.847 33.458 32.500 0.185 0.000 0.833 2089 K HN 0.166 nan 8.250 nan 0.000 0.517 2090 G N 0.678 109.571 108.800 0.154 0.000 2.617 2090 G HA2 -0.205 5.025 3.960 2.116 0.000 0.686 2090 G HA3 -0.205 5.025 3.960 2.116 0.000 0.686 2090 G C 0.352 175.266 174.900 0.025 0.000 1.214 2090 G CA -0.278 44.920 45.100 0.163 0.000 0.796 2090 G HN 0.065 nan 8.290 nan 0.000 0.654 2091 T N -2.654 111.883 114.554 -0.028 0.000 3.037 2091 T HA 0.604 6.224 4.350 2.116 0.000 0.251 2091 T C 1.020 175.589 174.700 -0.219 0.000 1.079 2091 T CA 1.280 63.308 62.100 -0.120 0.000 1.067 2091 T CB 0.462 69.294 68.868 -0.060 0.000 0.948 2091 T HN 1.861 nan 8.240 nan 0.000 0.496 2092 S N -0.695 114.897 115.700 -0.179 0.000 2.566 2092 S HA 0.608 6.347 4.470 2.116 0.000 0.273 2092 S C -0.944 173.685 174.600 0.049 0.000 1.157 2092 S CA -0.767 57.328 58.200 -0.176 0.000 0.938 2092 S CB 0.791 63.959 63.200 -0.053 0.000 1.087 2092 S HN 0.062 nan 8.310 nan 0.000 0.474 2093 F N 2.371 122.322 119.950 0.003 0.000 2.553 2093 F HA 0.400 6.197 4.527 2.117 0.000 0.282 2093 F C 2.241 178.047 175.800 0.010 0.000 1.089 2093 F CA 0.470 58.473 58.000 0.005 0.000 1.411 2093 F CB -0.721 38.281 39.000 0.003 0.000 1.125 2093 F HN 0.932 nan 8.300 nan 0.000 0.610 2094 G N 0.527 109.443 108.800 0.193 0.000 2.162 2094 G HA2 0.002 5.232 3.960 2.116 0.000 0.260 2094 G HA3 0.002 5.232 3.960 2.116 0.000 0.260 2094 G C 0.214 175.186 174.900 0.119 0.000 0.976 2094 G CA 0.298 45.470 45.100 0.120 0.000 0.655 2094 G HN 0.784 nan 8.290 nan 0.000 0.533 2095 A N -0.795 122.126 122.820 0.168 0.000 2.569 2095 A HA 0.926 6.516 4.320 2.116 0.000 0.290 2095 A C -2.664 175.016 177.584 0.160 0.000 1.136 2095 A CA -1.080 51.034 52.037 0.128 0.000 0.710 2095 A CB 1.013 20.064 19.000 0.084 0.000 1.303 2095 A HN 0.129 nan 8.150 nan 0.000 0.413 2096 P HA 0.396 nan 4.420 nan 0.000 0.268 2096 P C -0.429 176.971 177.300 0.166 0.000 1.208 2096 P CA -0.044 63.125 63.100 0.115 0.000 0.777 2096 P CB 0.229 31.974 31.700 0.074 0.000 0.875 2097 C N -0.657 118.743 119.300 0.167 0.000 2.994 2097 C HA 0.802 6.532 4.460 2.116 0.000 0.305 2097 C C 1.566 176.625 174.990 0.116 0.000 1.251 2097 C CA -0.113 59.030 59.018 0.209 0.000 1.478 2097 C CB 0.998 28.946 27.740 0.348 0.000 1.922 2097 C HN 0.657 nan 8.230 nan 0.000 0.472 2098 A N 1.263 124.144 122.820 0.101 0.000 1.978 2098 A HA -0.031 5.559 4.320 2.116 0.000 0.220 2098 A C 1.900 179.513 177.584 0.048 0.000 1.170 2098 A CA 1.866 53.942 52.037 0.065 0.000 0.636 2098 A CB -0.672 18.361 19.000 0.055 0.000 0.810 2098 A HN 0.963 nan 8.150 nan 0.000 0.448 2099 L N -0.937 120.308 121.223 0.036 0.000 2.191 2099 L HA -0.207 5.403 4.340 2.116 0.000 0.212 2099 L C 2.456 179.306 176.870 -0.034 0.000 1.103 2099 L CA 1.459 56.292 54.840 -0.012 0.000 0.769 2099 L CB -0.615 41.415 42.059 -0.049 0.000 0.908 2099 L HN 0.484 nan 8.230 nan 0.000 0.438 2100 E N 0.202 120.396 120.200 -0.009 0.000 2.077 2100 E HA -0.202 5.418 4.350 2.116 0.000 0.193 2100 E C 1.879 178.563 176.600 0.140 0.000 0.989 2100 E CA 1.252 57.670 56.400 0.030 0.000 0.800 2100 E CB -0.032 29.724 29.700 0.093 0.000 0.746 2100 E HN 0.461 nan 8.360 nan 0.000 0.452 2101 N N 0.019 118.776 118.700 0.096 0.000 2.120 2101 N HA -0.138 5.872 4.740 2.116 0.000 0.188 2101 N C 1.767 177.330 175.510 0.089 0.000 1.024 2101 N CA 0.888 53.993 53.050 0.092 0.000 0.852 2101 N CB -0.297 38.227 38.487 0.062 0.000 1.003 2101 N HN -0.033 nan 8.380 nan 0.000 0.424 2102 V N 1.124 121.076 119.914 0.062 0.000 2.237 2102 V HA -0.170 5.220 4.120 2.116 0.000 0.245 2102 V C 2.323 178.462 176.094 0.073 0.000 1.046 2102 V CA 1.284 63.616 62.300 0.053 0.000 1.007 2102 V CB -0.614 31.224 31.823 0.024 0.000 0.638 2102 V HN 0.344 nan 8.190 nan 0.000 0.445 2103 L N -0.142 121.115 121.223 0.058 0.000 2.046 2103 L HA -0.191 5.419 4.340 2.116 0.000 0.208 2103 L C 2.625 179.674 176.870 0.297 0.000 1.077 2103 L CA 1.954 56.849 54.840 0.092 0.000 0.747 2103 L CB -0.666 41.325 42.059 -0.113 0.000 0.896 2103 L HN 0.417 nan 8.230 nan 0.000 0.432 2104 A N -0.473 122.585 122.820 0.397 0.000 1.908 2104 A HA -0.299 5.291 4.320 2.116 0.000 0.218 2104 A C 2.165 179.825 177.584 0.126 0.000 1.181 2104 A CA 2.008 54.214 52.037 0.282 0.000 0.627 2104 A CB -0.564 18.550 19.000 0.190 0.000 0.818 2104 A HN 0.549 nan 8.150 nan 0.000 0.445 2105 E N -0.749 119.519 120.200 0.113 0.000 2.072 2105 E HA -0.168 5.452 4.350 2.116 0.000 0.191 2105 E C 2.111 178.772 176.600 0.100 0.000 0.985 2105 E CA 1.303 57.752 56.400 0.081 0.000 0.801 2105 E CB -0.186 29.556 29.700 0.070 0.000 0.750 2105 E HN 0.672 nan 8.360 nan 0.000 0.452 2106 M N -0.064 119.609 119.600 0.122 0.000 2.108 2106 M HA -0.174 5.575 4.480 2.116 0.000 0.261 2106 M C 2.311 178.713 176.300 0.170 0.000 1.066 2106 M CA 1.062 56.452 55.300 0.150 0.000 1.107 2106 M CB -0.085 32.596 32.600 0.134 0.000 1.356 2106 M HN 0.075 nan 8.290 nan 0.000 0.406 2107 V N 0.789 120.803 119.914 0.166 0.000 2.358 2107 V HA -0.236 5.154 4.120 2.116 0.000 0.246 2107 V C 2.040 178.191 176.094 0.094 0.000 1.047 2107 V CA 1.588 63.997 62.300 0.182 0.000 1.035 2107 V CB -0.822 31.113 31.823 0.187 0.000 0.658 2107 V HN 0.465 nan 8.190 nan 0.000 0.452 2108 N N 0.441 119.174 118.700 0.055 0.000 2.120 2108 N HA -0.166 5.844 4.740 2.116 0.000 0.188 2108 N C 1.555 177.088 175.510 0.038 0.000 1.024 2108 N CA 1.708 54.769 53.050 0.017 0.000 0.852 2108 N CB -0.419 38.070 38.487 0.003 0.000 1.003 2108 N HN 0.469 nan 8.380 nan 0.000 0.424 2109 D N 0.690 121.136 120.400 0.078 0.000 2.144 2109 D HA -0.031 5.879 4.640 2.116 0.000 0.200 2109 D C 1.749 178.129 176.300 0.132 0.000 0.978 2109 D CA 0.846 54.907 54.000 0.102 0.000 0.833 2109 D CB -0.156 40.723 40.800 0.132 0.000 0.961 2109 D HN 0.239 nan 8.370 nan 0.000 0.470 2110 A N 0.371 123.277 122.820 0.144 0.000 1.930 2110 A HA 0.026 5.615 4.320 2.116 0.000 0.215 2110 A C 1.170 178.710 177.584 -0.072 0.000 1.176 2110 A CA 0.451 52.538 52.037 0.084 0.000 0.632 2110 A CB 0.134 19.051 19.000 -0.138 0.000 0.819 2110 A HN 0.088 nan 8.150 nan 0.000 0.445 2111 V N 0.898 120.759 119.914 -0.087 0.000 2.333 2111 V HA 0.198 5.588 4.120 2.116 0.000 0.274 2111 V C -1.681 174.371 176.094 -0.071 0.000 1.028 2111 V CA -1.248 60.976 62.300 -0.128 0.000 0.851 2111 V CB 1.118 32.852 31.823 -0.148 0.000 1.000 2111 V HN 0.169 nan 8.190 nan 0.000 0.456 2112 P HA -0.263 nan 4.420 nan 0.000 0.214 2112 P C 1.963 179.224 177.300 -0.065 0.000 1.164 2112 P CA 2.324 65.394 63.100 -0.050 0.000 0.942 2112 P CB 0.059 31.729 31.700 -0.050 0.000 0.791 2113 S N -1.195 114.451 115.700 -0.090 0.000 2.440 2113 S HA -0.109 5.630 4.470 2.116 0.000 0.238 2113 S C 0.955 175.501 174.600 -0.091 0.000 1.010 2113 S CA 0.712 58.848 58.200 -0.106 0.000 0.972 2113 S CB -1.358 61.755 63.200 -0.145 0.000 0.774 2113 S HN 0.053 nan 8.310 nan 0.000 0.501 2114 I N 2.158 122.681 120.570 -0.079 0.000 2.322 2114 I HA 0.200 5.640 4.170 2.116 0.000 0.292 2114 I C 0.938 177.013 176.117 -0.070 0.000 1.060 2114 I CA -0.080 61.173 61.300 -0.080 0.000 1.309 2114 I CB 0.935 38.890 38.000 -0.076 0.000 1.415 2114 I HN 0.294 nan 8.210 nan 0.000 0.492 2115 E N 5.270 125.422 120.200 -0.079 0.000 2.372 2115 E HA 0.224 5.844 4.350 2.116 0.000 0.201 2115 E C 0.163 176.715 176.600 -0.079 0.000 0.938 2115 E CA 0.264 56.625 56.400 -0.066 0.000 0.944 2115 E CB 1.060 30.723 29.700 -0.061 0.000 0.937 2115 E HN 0.555 nan 8.360 nan 0.000 0.495 2116 M N 1.542 121.075 119.600 -0.112 0.000 2.378 2116 M HA 0.308 6.058 4.480 2.116 0.000 0.289 2116 M C -1.911 174.256 176.300 -0.222 0.000 1.136 2116 M CA -0.799 54.415 55.300 -0.143 0.000 0.917 2116 M CB 2.287 34.811 32.600 -0.126 0.000 1.669 2116 M HN -0.190 nan 8.290 nan 0.000 0.461 2117 V N 1.546 121.278 119.914 -0.303 0.000 2.914 2117 V HA 0.837 6.227 4.120 2.116 0.000 0.314 2117 V C -1.105 174.613 176.094 -0.626 0.000 1.084 2117 V CA -0.853 61.154 62.300 -0.489 0.000 0.963 2117 V CB 1.775 33.235 31.823 -0.605 0.000 1.025 2117 V HN 0.914 nan 8.190 nan 0.000 0.432 2118 R N 1.978 121.996 120.500 -0.803 0.000 2.502 2118 R HA 0.612 6.222 4.340 2.116 0.000 0.300 2118 R C -1.674 174.264 176.300 -0.603 0.000 0.984 2118 R CA -0.802 54.871 56.100 -0.710 0.000 0.882 2118 R CB 0.872 30.642 30.300 -0.882 0.000 1.180 2118 R HN 0.624 nan 8.270 nan 0.000 0.444 2119 F N 4.351 124.216 119.950 -0.140 0.000 2.389 2119 F HA 0.486 6.282 4.527 2.115 0.000 0.337 2119 F C 0.929 176.729 175.800 -0.000 0.000 1.112 2119 F CA -0.046 57.923 58.000 -0.052 0.000 1.192 2119 F CB 1.281 40.258 39.000 -0.039 0.000 1.185 2119 F HN 0.387 nan 8.300 nan 0.000 0.552 2120 V N -0.423 119.643 119.914 0.254 0.000 3.084 2120 V HA 0.492 5.882 4.120 2.116 0.000 0.311 2120 V C -0.486 175.694 176.094 0.144 0.000 1.311 2120 V CA -0.955 61.452 62.300 0.180 0.000 1.062 2120 V CB 1.882 33.821 31.823 0.194 0.000 1.113 2120 V HN 0.670 nan 8.190 nan 0.000 0.468 2121 N N 0.588 119.350 118.700 0.103 0.000 2.236 2121 N HA 0.365 6.375 4.740 2.116 0.000 0.196 2121 N C 0.057 175.616 175.510 0.082 0.000 1.114 2121 N CA 0.614 53.711 53.050 0.079 0.000 0.859 2121 N CB 0.507 39.029 38.487 0.058 0.000 0.982 2121 N HN 0.970 nan 8.380 nan 0.000 0.493 2122 S N -2.872 112.884 115.700 0.094 0.000 2.611 2122 S HA 0.490 6.230 4.470 2.116 0.000 0.268 2122 S C 0.845 175.505 174.600 0.100 0.000 1.156 2122 S CA -0.599 57.659 58.200 0.096 0.000 0.817 2122 S CB 0.862 64.117 63.200 0.090 0.000 1.122 2122 S HN -0.025 nan 8.310 nan 0.000 0.466 2123 G N 0.669 109.533 108.800 0.105 0.000 2.408 2123 G HA2 -0.023 5.207 3.960 2.116 0.000 0.217 2123 G HA3 -0.023 5.207 3.960 2.116 0.000 0.217 2123 G C 1.060 175.996 174.900 0.060 0.000 1.150 2123 G CA 1.489 46.649 45.100 0.100 0.000 0.776 2123 G HN 0.775 nan 8.290 nan 0.000 0.542 2124 T N 0.909 115.491 114.554 0.048 0.000 2.746 2124 T HA -0.081 5.538 4.350 2.116 0.000 0.267 2124 T C 2.200 176.872 174.700 -0.047 0.000 1.039 2124 T CA 1.525 63.613 62.100 -0.020 0.000 1.142 2124 T CB -0.160 68.687 68.868 -0.035 0.000 0.866 2124 T HN 0.467 nan 8.240 nan 0.000 0.444 2125 E N 0.961 121.154 120.200 -0.012 0.000 2.077 2125 E HA -0.062 5.558 4.350 2.116 0.000 0.193 2125 E C 2.618 179.187 176.600 -0.052 0.000 0.989 2125 E CA 0.952 57.337 56.400 -0.025 0.000 0.800 2125 E CB -0.228 29.488 29.700 0.026 0.000 0.746 2125 E HN 0.472 nan 8.360 nan 0.000 0.452 2126 A N 1.091 123.921 122.820 0.017 0.000 1.883 2126 A HA -0.221 5.369 4.320 2.116 0.000 0.217 2126 A C 2.496 180.007 177.584 -0.122 0.000 1.186 2126 A CA 1.452 53.500 52.037 0.018 0.000 0.624 2126 A CB -0.985 18.100 19.000 0.142 0.000 0.822 2126 A HN 0.363 nan 8.150 nan 0.000 0.444 2127 C N -1.286 117.985 119.300 -0.048 0.000 2.432 2127 C HA -0.113 5.617 4.460 2.116 0.000 0.277 2127 C C 2.784 177.685 174.990 -0.149 0.000 1.249 2127 C CA 1.381 60.376 59.018 -0.039 0.000 1.725 2127 C CB -1.203 26.582 27.740 0.076 0.000 2.028 2127 C HN 0.757 nan 8.230 nan 0.000 0.477 2128 M N 1.349 120.856 119.600 -0.156 0.000 2.080 2128 M HA -0.179 5.571 4.480 2.116 0.000 0.260 2128 M C 2.282 178.409 176.300 -0.288 0.000 1.068 2128 M CA 2.344 57.520 55.300 -0.207 0.000 1.109 2128 M CB -0.305 32.201 32.600 -0.157 0.000 1.342 2128 M HN 0.360 nan 8.290 nan 0.000 0.405 2129 A N -0.785 121.810 122.820 -0.375 0.000 1.873 2129 A HA -0.131 5.458 4.320 2.116 0.000 0.215 2129 A C 2.124 179.348 177.584 -0.600 0.000 1.186 2129 A CA 1.727 53.423 52.037 -0.569 0.000 0.616 2129 A CB -1.275 17.120 19.000 -1.008 0.000 0.823 2129 A HN 0.434 nan 8.150 nan 0.000 0.442 2130 V N -0.053 119.517 119.914 -0.573 0.000 2.490 2130 V HA -0.183 5.207 4.120 2.116 0.000 0.250 2130 V C 2.342 178.284 176.094 -0.253 0.000 1.061 2130 V CA 1.742 63.838 62.300 -0.340 0.000 1.064 2130 V CB -0.338 31.379 31.823 -0.177 0.000 0.670 2130 V HN 0.596 nan 8.190 nan 0.000 0.461 2131 L N -0.506 120.526 121.223 -0.317 0.000 2.046 2131 L HA -0.187 5.423 4.340 2.116 0.000 0.208 2131 L C 2.692 179.394 176.870 -0.281 0.000 1.077 2131 L CA 2.147 56.755 54.840 -0.387 0.000 0.747 2131 L CB -0.400 41.267 42.059 -0.653 0.000 0.896 2131 L HN 0.311 nan 8.230 nan 0.000 0.432 2132 R N 0.542 120.891 120.500 -0.251 0.000 2.075 2132 R HA -0.152 5.458 4.340 2.116 0.000 0.232 2132 R C 2.223 178.461 176.300 -0.103 0.000 1.126 2132 R CA 1.527 57.527 56.100 -0.168 0.000 0.963 2132 R CB -0.192 30.017 30.300 -0.150 0.000 0.858 2132 R HN 0.482 nan 8.270 nan 0.000 0.435 2133 I N -2.116 118.394 120.570 -0.100 0.000 2.761 2133 I HA -0.108 5.332 4.170 2.116 0.000 0.261 2133 I C 2.057 178.188 176.117 0.023 0.000 1.198 2133 I CA 0.768 62.061 61.300 -0.013 0.000 1.482 2133 I CB -0.356 37.654 38.000 0.016 0.000 1.100 2133 I HN 0.136 nan 8.210 nan 0.000 0.445 2134 M N 1.105 120.686 119.600 -0.032 0.000 2.080 2134 M HA -0.162 5.588 4.480 2.116 0.000 0.260 2134 M C 2.632 178.953 176.300 0.035 0.000 1.068 2134 M CA 2.081 57.383 55.300 0.003 0.000 1.109 2134 M CB -0.331 32.237 32.600 -0.053 0.000 1.342 2134 M HN 0.209 nan 8.290 nan 0.000 0.405 2135 R N -0.291 120.197 120.500 -0.021 0.000 2.073 2135 R HA -0.002 5.608 4.340 2.116 0.000 0.229 2135 R C 2.343 178.646 176.300 0.005 0.000 1.120 2135 R CA 1.270 57.358 56.100 -0.021 0.000 0.967 2135 R CB -0.529 29.734 30.300 -0.062 0.000 0.862 2135 R HN 0.355 nan 8.270 nan 0.000 0.436 2136 A N 0.785 123.615 122.820 0.015 0.000 1.883 2136 A HA -0.241 5.349 4.320 2.116 0.000 0.217 2136 A C 2.023 179.644 177.584 0.060 0.000 1.186 2136 A CA 1.357 53.413 52.037 0.031 0.000 0.624 2136 A CB -0.775 18.249 19.000 0.040 0.000 0.822 2136 A HN 0.433 nan 8.150 nan 0.000 0.444 2137 Y N 1.485 121.773 120.300 -0.021 0.000 2.200 2137 Y HA -0.179 5.641 4.550 2.116 0.000 0.290 2137 Y C 2.841 178.736 175.900 -0.009 0.000 1.137 2137 Y CA 2.427 60.520 58.100 -0.012 0.000 1.163 2137 Y CB -0.364 38.090 38.460 -0.010 0.000 0.988 2137 Y HN 0.437 nan 8.280 nan 0.000 0.518 2138 T N -3.804 110.762 114.554 0.020 0.000 3.067 2138 T HA 0.231 5.851 4.350 2.116 0.000 0.257 2138 T C 1.714 176.374 174.700 -0.067 0.000 1.105 2138 T CA 0.598 62.668 62.100 -0.049 0.000 1.104 2138 T CB -0.447 68.457 68.868 0.060 0.000 0.925 2138 T HN 0.634 nan 8.240 nan 0.000 0.498 2139 G N 1.721 110.492 108.800 -0.050 0.000 2.153 2139 G HA2 -0.261 4.969 3.960 2.116 0.000 0.252 2139 G HA3 -0.261 4.969 3.960 2.116 0.000 0.252 2139 G C 0.062 174.943 174.900 -0.032 0.000 0.994 2139 G CA 0.141 45.213 45.100 -0.046 0.000 0.698 2139 G HN 0.722 nan 8.290 nan 0.000 0.521 2140 R N -0.575 119.911 120.500 -0.024 0.000 2.787 2140 R HA 0.570 6.180 4.340 2.116 0.000 0.271 2140 R C 0.017 176.294 176.300 -0.038 0.000 0.993 2140 R CA -0.711 55.373 56.100 -0.027 0.000 0.993 2140 R CB 1.039 31.328 30.300 -0.017 0.000 1.155 2140 R HN 0.031 nan 8.270 nan 0.000 0.486 2141 D N 0.769 121.141 120.400 -0.046 0.000 2.388 2141 D HA 0.028 5.938 4.640 2.116 0.000 0.208 2141 D C -0.266 175.994 176.300 -0.066 0.000 1.035 2141 D CA 0.678 54.645 54.000 -0.055 0.000 0.875 2141 D CB 0.594 41.366 40.800 -0.047 0.000 0.984 2141 D HN 0.237 nan 8.370 nan 0.000 0.508 2142 K N 1.065 121.421 120.400 -0.074 0.000 2.249 2142 K HA 0.318 5.908 4.320 2.116 0.000 0.280 2142 K C -0.123 176.416 176.600 -0.102 0.000 1.033 2142 K CA -0.213 56.020 56.287 -0.091 0.000 0.946 2142 K CB 1.812 34.241 32.500 -0.119 0.000 1.005 2142 K HN -0.137 nan 8.250 nan 0.000 0.469 2143 I N 3.786 124.312 120.570 -0.074 0.000 2.608 2143 I HA 0.365 5.805 4.170 2.116 0.000 0.295 2143 I C -0.124 175.956 176.117 -0.061 0.000 1.049 2143 I CA -0.783 60.491 61.300 -0.044 0.000 1.063 2143 I CB 1.787 39.811 38.000 0.040 0.000 1.248 2143 I HN 0.536 nan 8.210 nan 0.000 0.424 2144 I N 5.760 126.265 120.570 -0.108 0.000 2.354 2144 I HA 0.314 5.754 4.170 2.116 0.000 0.292 2144 I C -0.033 175.939 176.117 -0.241 0.000 0.989 2144 I CA -0.525 60.650 61.300 -0.210 0.000 1.188 2144 I CB 1.313 39.152 38.000 -0.268 0.000 1.342 2144 I HN 0.564 nan 8.210 nan 0.000 0.457 2145 K N 5.463 125.677 120.400 -0.310 0.000 2.444 2145 K HA 0.663 6.253 4.320 2.116 0.000 0.252 2145 K C -1.586 174.773 176.600 -0.403 0.000 0.993 2145 K CA -0.720 55.405 56.287 -0.270 0.000 0.847 2145 K CB 1.913 34.289 32.500 -0.206 0.000 1.340 2145 K HN 0.185 nan 8.250 nan 0.000 0.446 2146 F N 1.048 121.085 119.950 0.145 0.000 2.458 2146 F HA 0.300 6.096 4.527 2.115 0.000 0.330 2146 F C 0.240 176.083 175.800 0.072 0.000 1.082 2146 F CA -0.773 57.323 58.000 0.161 0.000 0.995 2146 F CB 1.613 40.811 39.000 0.329 0.000 1.170 2146 F HN 0.504 nan 8.300 nan 0.000 0.478 2147 E N 0.733 121.069 120.200 0.226 0.000 2.414 2147 E HA 0.320 5.940 4.350 2.116 0.000 0.263 2147 E C 0.896 177.463 176.600 -0.054 0.000 1.000 2147 E CA 0.974 57.407 56.400 0.055 0.000 0.914 2147 E CB 0.409 30.189 29.700 0.133 0.000 0.948 2147 E HN 0.910 nan 8.360 nan 0.000 0.444 2148 G N 2.267 110.824 108.800 -0.405 0.000 2.268 2148 G HA2 -0.310 4.919 3.960 2.116 0.000 0.240 2148 G HA3 -0.310 4.919 3.960 2.116 0.000 0.240 2148 G C 0.408 175.135 174.900 -0.289 0.000 1.010 2148 G CA -0.080 44.676 45.100 -0.574 0.000 0.618 2148 G HN 0.620 nan 8.290 nan 0.000 0.516 2149 C N 0.556 119.773 119.300 -0.139 0.000 2.605 2149 C HA 0.643 6.373 4.460 2.116 0.000 0.404 2149 C C 0.161 174.983 174.990 -0.280 0.000 1.284 2149 C CA -0.144 58.780 59.018 -0.158 0.000 2.199 2149 C CB 0.157 27.937 27.740 0.066 0.000 2.647 2149 C HN 0.444 nan 8.230 nan 0.000 0.604 2150 Y N 1.509 121.453 120.300 -0.592 0.000 2.391 2150 Y HA 0.472 6.298 4.550 2.126 0.000 0.341 2150 Y C -0.147 175.339 175.900 -0.689 0.000 0.965 2150 Y CA -0.673 57.120 58.100 -0.511 0.000 1.067 2150 Y CB 0.697 38.998 38.460 -0.265 0.000 1.199 2150 Y HN 0.874 nan 8.280 nan 0.000 0.450 2151 H N 3.865 122.529 119.070 -0.678 0.000 2.779 2151 H HA 0.547 6.375 4.556 2.120 0.000 0.230 2151 H C 0.496 175.496 175.328 -0.547 0.000 1.365 2151 H CA -0.284 55.496 56.048 -0.448 0.000 1.086 2151 H CB 0.517 30.210 29.762 -0.113 0.000 2.038 2151 H HN 1.024 nan 8.280 nan 0.000 0.558 2152 G N 1.207 109.330 108.800 -1.127 0.000 2.725 2152 G HA2 -0.163 5.066 3.960 2.116 0.000 0.220 2152 G HA3 -0.163 5.066 3.960 2.116 0.000 0.220 2152 G C -0.991 173.830 174.900 -0.132 0.000 1.357 2152 G CA -0.466 44.371 45.100 -0.439 0.000 0.866 2152 G HN 0.685 nan 8.290 nan 0.000 0.548 2153 H N -0.813 118.257 119.070 -0.000 0.000 2.747 2153 H HA 0.955 6.782 4.556 2.118 0.000 0.371 2153 H C 0.209 175.589 175.328 0.086 0.000 1.161 2153 H CA -0.094 56.005 56.048 0.086 0.000 1.167 2153 H CB 1.162 31.002 29.762 0.131 0.000 1.732 2153 H HN 2.084 nan 8.280 nan 0.000 0.544 2154 A N 1.634 124.526 122.820 0.121 0.000 4.812 2154 A HA 0.329 5.919 4.320 2.116 0.000 0.246 2154 A C -0.665 176.974 177.584 0.091 0.000 0.986 2154 A CA -0.018 52.056 52.037 0.061 0.000 0.616 2154 A CB 0.275 19.306 19.000 0.052 0.000 1.826 2154 A HN 0.578 nan 8.150 nan 0.000 0.887 2155 D N -0.500 119.941 120.400 0.068 0.000 2.725 2155 D HA 0.144 6.054 4.640 2.116 0.000 0.269 2155 D C 0.967 177.310 176.300 0.072 0.000 1.018 2155 D CA 1.094 55.130 54.000 0.060 0.000 0.956 2155 D CB 0.042 40.861 40.800 0.032 0.000 1.141 2155 D HN 0.435 nan 8.370 nan 0.000 0.478 2156 M N -0.128 119.515 119.600 0.071 0.000 3.494 2156 M HA 0.450 6.200 4.480 2.116 0.000 0.213 2156 M C -0.932 175.495 176.300 0.212 0.000 1.255 2156 M CA -0.250 55.100 55.300 0.084 0.000 1.360 2156 M CB 0.342 32.954 32.600 0.020 0.000 1.138 2156 M HN 0.071 nan 8.290 nan 0.000 0.615 2157 F N 0.258 120.197 119.950 -0.019 0.000 2.405 2157 F HA 0.218 6.017 4.527 2.120 0.000 0.432 2157 F C -0.346 175.460 175.800 0.011 0.000 0.846 2157 F CA -0.437 57.552 58.000 -0.019 0.000 0.820 2157 F CB 0.127 39.106 39.000 -0.036 0.000 1.191 2157 F HN 0.238 nan 8.300 nan 0.000 0.569 2158 L N 3.510 124.799 121.223 0.111 0.000 2.505 2158 L HA 0.354 5.964 4.340 2.116 0.000 0.275 2158 L C -0.515 176.356 176.870 0.002 0.000 1.264 2158 L CA 0.575 55.440 54.840 0.042 0.000 1.148 2158 L CB -0.586 41.531 42.059 0.096 0.000 1.377 2158 L HN -0.009 nan 8.230 nan 0.000 0.442 2159 V N 5.548 125.427 119.914 -0.059 0.000 2.524 2159 V HA 0.375 5.765 4.120 2.116 0.000 0.297 2159 V C 0.114 176.160 176.094 -0.079 0.000 1.035 2159 V CA -0.732 61.537 62.300 -0.052 0.000 0.867 2159 V CB 1.499 33.298 31.823 -0.041 0.000 1.004 2159 V HN 0.734 nan 8.190 nan 0.000 0.426 2160 K N 3.328 123.687 120.400 -0.068 0.000 3.071 2160 K HA -0.180 5.409 4.320 2.116 0.000 0.262 2160 K C 0.334 176.833 176.600 -0.168 0.000 0.977 2160 K CA 1.187 57.413 56.287 -0.101 0.000 0.721 2160 K CB -1.816 30.646 32.500 -0.064 0.000 1.293 2160 K HN 1.280 nan 8.250 nan 0.000 0.475 2161 A N -0.289 122.450 122.820 -0.136 0.000 2.292 2161 A HA 0.726 6.316 4.320 2.116 0.000 0.265 2161 A C 1.298 178.754 177.584 -0.214 0.000 1.133 2161 A CA 0.198 52.169 52.037 -0.109 0.000 0.807 2161 A CB 0.176 19.208 19.000 0.054 0.000 1.102 2161 A HN 0.453 nan 8.150 nan 0.000 0.502 2162 G N -1.549 107.172 108.800 -0.133 0.000 2.849 2162 G HA2 0.552 5.782 3.960 2.116 0.000 0.174 2162 G HA3 0.552 5.782 3.960 2.116 0.000 0.174 2162 G C 0.638 175.328 174.900 -0.350 0.000 1.370 2162 G CA 1.041 45.986 45.100 -0.259 0.000 1.040 2162 G HN 2.382 nan 8.290 nan 0.000 0.582 2163 S N -1.826 113.661 115.700 -0.356 0.000 3.711 2163 S HA -0.250 5.490 4.470 2.116 0.000 0.625 2163 S C 2.045 176.433 174.600 -0.354 0.000 2.458 2163 S CA 1.700 59.625 58.200 -0.459 0.000 4.059 2163 S CB -1.582 61.041 63.200 -0.962 0.000 0.257 2163 S HN 2.174 nan 8.310 nan 0.000 0.974 2164 G N 0.640 109.198 108.800 -0.402 0.000 2.499 2164 G HA2 0.058 5.288 3.960 2.116 0.000 0.221 2164 G HA3 0.058 5.288 3.960 2.116 0.000 0.221 2164 G C 1.329 176.112 174.900 -0.195 0.000 1.109 2164 G CA 1.419 46.369 45.100 -0.251 0.000 0.749 2164 G HN 1.060 nan 8.290 nan 0.000 0.568 2165 V N 0.983 120.754 119.914 -0.238 0.000 2.273 2165 V HA 0.149 5.539 4.120 2.116 0.000 0.242 2165 V C 2.549 178.526 176.094 -0.195 0.000 1.035 2165 V CA 1.398 63.593 62.300 -0.174 0.000 1.013 2165 V CB -0.743 30.992 31.823 -0.147 0.000 0.652 2165 V HN 0.361 nan 8.190 nan 0.000 0.452 2166 A N -0.587 122.055 122.820 -0.297 0.000 2.958 2166 A HA 0.314 5.904 4.320 2.116 0.000 0.247 2166 A C 1.326 178.666 177.584 -0.406 0.000 1.679 2166 A CA 0.993 52.782 52.037 -0.413 0.000 1.345 2166 A CB -0.596 17.929 19.000 -0.791 0.000 1.013 2166 A HN 0.461 nan 8.150 nan 0.000 0.641 2167 T N -0.652 113.757 114.554 -0.242 0.000 3.358 2167 T HA 0.137 5.756 4.350 2.116 0.000 0.263 2167 T C 1.070 175.762 174.700 -0.013 0.000 0.998 2167 T CA 0.612 62.653 62.100 -0.098 0.000 1.130 2167 T CB -0.193 68.709 68.868 0.056 0.000 1.165 2167 T HN 0.588 nan 8.240 nan 0.000 0.426 2168 L N 0.187 121.401 121.223 -0.016 0.000 2.851 2168 L HA 0.688 6.298 4.340 2.116 0.000 0.237 2168 L C 1.140 178.006 176.870 -0.007 0.000 1.257 2168 L CA 0.040 54.886 54.840 0.011 0.000 1.061 2168 L CB -0.562 41.506 42.059 0.014 0.000 1.372 2168 L HN 0.432 nan 8.230 nan 0.000 0.493 2169 G N 0.319 109.103 108.800 -0.026 0.000 2.175 2169 G HA2 -0.284 4.946 3.960 2.116 0.000 0.265 2169 G HA3 -0.284 4.946 3.960 2.116 0.000 0.265 2169 G C 0.209 175.109 174.900 0.000 0.000 0.979 2169 G CA 0.324 45.419 45.100 -0.007 0.000 0.663 2169 G HN 0.400 nan 8.290 nan 0.000 0.533 2170 L N 1.796 123.005 121.223 -0.023 0.000 2.513 2170 L HA 0.231 5.840 4.340 2.116 0.000 0.272 2170 L C -0.001 176.847 176.870 -0.037 0.000 1.187 2170 L CA -0.431 54.391 54.840 -0.029 0.000 0.895 2170 L CB 0.709 42.741 42.059 -0.046 0.000 1.147 2170 L HN 0.136 nan 8.230 nan 0.000 0.483 2171 P HA 0.068 nan 4.420 nan 0.000 0.193 2171 P C -0.185 177.095 177.300 -0.033 0.000 1.119 2171 P CA 0.178 63.264 63.100 -0.024 0.000 0.798 2171 P CB 0.386 32.083 31.700 -0.005 0.000 0.698 2172 S N -1.678 114.012 115.700 -0.016 0.000 2.648 2172 S HA 0.575 6.315 4.470 2.116 0.000 0.305 2172 S C 0.263 174.866 174.600 0.006 0.000 1.094 2172 S CA -0.345 57.851 58.200 -0.007 0.000 0.983 2172 S CB 0.939 64.137 63.200 -0.003 0.000 1.101 2172 S HN 0.375 nan 8.310 nan 0.000 0.514 2173 S N 1.129 116.841 115.700 0.021 0.000 2.813 2173 S HA -0.151 5.588 4.470 2.116 0.000 0.631 2173 S C -2.416 172.194 174.600 0.016 0.000 3.178 2173 S CA 0.723 58.939 58.200 0.027 0.000 3.497 2173 S CB -2.423 60.791 63.200 0.024 0.000 0.324 2173 S HN 0.855 nan 8.310 nan 0.000 1.724 2174 P HA 0.442 nan 4.420 nan 0.000 0.273 2174 P C 1.068 178.384 177.300 0.027 0.000 1.250 2174 P CA 0.782 63.893 63.100 0.018 0.000 0.793 2174 P CB 0.227 31.935 31.700 0.013 0.000 1.011 2175 G N -1.308 107.508 108.800 0.026 0.000 2.697 2175 G HA2 -0.180 5.050 3.960 2.116 0.000 0.200 2175 G HA3 -0.180 5.050 3.960 2.116 0.000 0.200 2175 G C 0.130 175.049 174.900 0.033 0.000 1.106 2175 G CA 0.060 45.179 45.100 0.032 0.000 0.748 2175 G HN 0.735 nan 8.290 nan 0.000 0.503 2176 V N 1.631 121.567 119.914 0.036 0.000 3.003 2176 V HA 0.731 6.121 4.120 2.116 0.000 0.305 2176 V C -1.589 174.520 176.094 0.024 0.000 1.078 2176 V CA -1.063 61.258 62.300 0.034 0.000 1.083 2176 V CB 1.044 32.892 31.823 0.042 0.000 1.039 2176 V HN 0.452 nan 8.190 nan 0.000 0.481 2177 P HA 0.303 nan 4.420 nan 0.000 0.275 2177 P C -0.926 176.381 177.300 0.013 0.000 1.228 2177 P CA -0.514 62.594 63.100 0.014 0.000 0.786 2177 P CB 0.630 32.336 31.700 0.010 0.000 0.927 2178 K N 2.100 122.506 120.400 0.009 0.000 3.245 2178 K HA 0.072 5.662 4.320 2.116 0.000 0.285 2178 K C 0.876 177.479 176.600 0.005 0.000 1.156 2178 K CA 0.451 56.742 56.287 0.007 0.000 1.162 2178 K CB -0.356 32.147 32.500 0.006 0.000 1.365 2178 K HN 0.421 nan 8.250 nan 0.000 0.316 2179 K N -2.183 118.221 120.400 0.006 0.000 2.937 2179 K HA -0.038 5.552 4.320 2.116 0.000 0.194 2179 K C 1.648 178.250 176.600 0.003 0.000 1.589 2179 K CA 0.636 56.924 56.287 0.002 0.000 1.303 2179 K CB 0.181 32.681 32.500 0.000 0.000 1.864 2179 K HN 0.246 nan 8.250 nan 0.000 0.608 2180 T N 0.988 115.547 114.554 0.007 0.000 2.624 2180 T HA -0.245 5.375 4.350 2.116 0.000 0.268 2180 T C 2.195 176.905 174.700 0.018 0.000 1.041 2180 T CA 2.381 64.487 62.100 0.009 0.000 1.159 2180 T CB -1.394 67.484 68.868 0.016 0.000 0.863 2180 T HN 0.322 nan 8.240 nan 0.000 0.434 2181 T N 0.725 115.296 114.554 0.027 0.000 2.996 2181 T HA 0.121 5.741 4.350 2.116 0.000 0.271 2181 T C 2.167 176.878 174.700 0.018 0.000 1.126 2181 T CA 0.993 63.114 62.100 0.035 0.000 1.103 2181 T CB -0.839 68.046 68.868 0.029 0.000 0.870 2181 T HN 0.619 nan 8.240 nan 0.000 0.528 2182 A N 2.590 125.413 122.820 0.005 0.000 2.024 2182 A HA -0.094 5.495 4.320 2.116 0.000 0.220 2182 A C 2.160 179.735 177.584 -0.014 0.000 1.164 2182 A CA 1.231 53.264 52.037 -0.006 0.000 0.643 2182 A CB -0.532 18.463 19.000 -0.009 0.000 0.806 2182 A HN 0.566 nan 8.150 nan 0.000 0.451 2183 N N 0.017 118.712 118.700 -0.008 0.000 2.370 2183 N HA 0.020 6.030 4.740 2.116 0.000 0.198 2183 N C -0.658 174.849 175.510 -0.005 0.000 1.156 2183 N CA 0.454 53.492 53.050 -0.020 0.000 0.839 2183 N CB 0.333 38.803 38.487 -0.028 0.000 0.989 2183 N HN 0.253 nan 8.380 nan 0.000 0.468 2184 T N 1.636 116.200 114.554 0.017 0.000 2.864 2184 T HA 0.356 5.976 4.350 2.116 0.000 0.299 2184 T C -0.380 174.309 174.700 -0.020 0.000 1.011 2184 T CA -0.540 61.587 62.100 0.044 0.000 0.975 2184 T CB 1.559 70.507 68.868 0.134 0.000 0.962 2184 T HN -0.174 nan 8.240 nan 0.000 0.448 2185 L N 4.080 125.264 121.223 -0.064 0.000 2.312 2185 L HA 0.614 6.224 4.340 2.116 0.000 0.281 2185 L C 1.049 177.841 176.870 -0.129 0.000 1.070 2185 L CA -0.292 54.487 54.840 -0.101 0.000 0.805 2185 L CB 1.077 43.048 42.059 -0.146 0.000 1.174 2185 L HN 0.760 nan 8.230 nan 0.000 0.434 2186 T N -1.229 113.262 114.554 -0.104 0.000 2.912 2186 T HA 0.836 6.456 4.350 2.116 0.000 0.288 2186 T C -0.153 174.499 174.700 -0.080 0.000 1.030 2186 T CA -0.665 61.371 62.100 -0.107 0.000 1.020 2186 T CB 2.038 70.875 68.868 -0.052 0.000 1.056 2186 T HN 0.687 nan 8.240 nan 0.000 0.480 2187 T N 0.648 115.166 114.554 -0.060 0.000 2.853 2187 T HA 0.645 6.265 4.350 2.116 0.000 0.311 2187 T C -3.255 171.603 174.700 0.263 0.000 1.307 2187 T CA -1.696 60.446 62.100 0.071 0.000 1.019 2187 T CB 1.571 70.476 68.868 0.060 0.000 1.264 2187 T HN 0.451 nan 8.240 nan 0.000 0.497 2188 P HA 0.261 nan 4.420 nan 0.000 0.275 2188 P C -1.165 176.336 177.300 0.335 0.000 1.227 2188 P CA -0.331 62.924 63.100 0.258 0.000 0.781 2188 P CB 0.045 31.826 31.700 0.134 0.000 0.906 2189 Y N 3.137 123.504 120.300 0.112 0.000 2.578 2189 Y HA -0.066 5.757 4.550 2.122 0.000 0.339 2189 Y C 1.353 176.945 175.900 -0.514 0.000 1.231 2189 Y CA 1.136 59.097 58.100 -0.231 0.000 1.461 2189 Y CB -0.316 38.023 38.460 -0.201 0.000 1.323 2189 Y HN 0.602 nan 8.280 nan 0.000 0.590 2190 N N 1.413 118.975 118.700 -1.898 0.000 2.800 2190 N HA -0.265 5.745 4.740 2.116 0.000 0.250 2190 N C -1.451 173.589 175.510 -0.783 0.000 1.078 2190 N CA 0.890 52.849 53.050 -1.818 0.000 0.804 2190 N CB -0.670 37.361 38.487 -0.761 0.000 1.135 2190 N HN 0.526 nan 8.380 nan 0.000 0.565 2191 D N 0.842 121.014 120.400 -0.379 0.000 2.479 2191 D HA 0.217 6.127 4.640 2.116 0.000 0.247 2191 D C 0.944 177.369 176.300 0.208 0.000 1.119 2191 D CA -0.348 53.645 54.000 -0.013 0.000 0.922 2191 D CB 0.384 41.218 40.800 0.057 0.000 1.014 2191 D HN 0.191 nan 8.370 nan 0.000 0.510 2192 L N 1.937 123.302 121.223 0.236 0.000 2.083 2192 L HA -0.146 5.464 4.340 2.116 0.000 0.209 2192 L C 2.033 179.006 176.870 0.172 0.000 1.083 2192 L CA 0.942 55.941 54.840 0.264 0.000 0.752 2192 L CB 0.153 42.331 42.059 0.198 0.000 0.899 2192 L HN 0.313 nan 8.230 nan 0.000 0.433 2193 E N -0.009 120.262 120.200 0.118 0.000 2.077 2193 E HA -0.223 5.396 4.350 2.116 0.000 0.193 2193 E C 2.218 178.879 176.600 0.102 0.000 0.989 2193 E CA 1.378 57.831 56.400 0.089 0.000 0.800 2193 E CB -0.310 29.424 29.700 0.057 0.000 0.746 2193 E HN 0.492 nan 8.360 nan 0.000 0.452 2194 A N 1.113 124.003 122.820 0.116 0.000 1.908 2194 A HA -0.159 5.431 4.320 2.116 0.000 0.218 2194 A C 2.651 180.315 177.584 0.133 0.000 1.181 2194 A CA 1.680 53.784 52.037 0.112 0.000 0.627 2194 A CB -0.720 18.353 19.000 0.123 0.000 0.818 2194 A HN 0.143 nan 8.150 nan 0.000 0.445 2195 V N 0.239 120.272 119.914 0.199 0.000 2.261 2195 V HA -0.291 5.099 4.120 2.116 0.000 0.246 2195 V C 2.427 178.677 176.094 0.260 0.000 1.047 2195 V CA 2.363 64.805 62.300 0.236 0.000 1.015 2195 V CB -0.760 31.255 31.823 0.320 0.000 0.642 2195 V HN 0.552 nan 8.190 nan 0.000 0.446 2196 K N 0.447 120.950 120.400 0.172 0.000 2.103 2196 K HA -0.176 5.414 4.320 2.116 0.000 0.207 2196 K C 2.299 178.986 176.600 0.144 0.000 1.048 2196 K CA 1.539 57.899 56.287 0.122 0.000 0.930 2196 K CB -0.473 32.068 32.500 0.069 0.000 0.716 2196 K HN 0.486 nan 8.250 nan 0.000 0.444 2197 A N 1.521 124.410 122.820 0.114 0.000 1.933 2197 A HA -0.135 5.455 4.320 2.116 0.000 0.218 2197 A C 2.126 179.752 177.584 0.071 0.000 1.175 2197 A CA 1.225 53.311 52.037 0.082 0.000 0.628 2197 A CB -0.584 18.453 19.000 0.061 0.000 0.814 2197 A HN 0.161 nan 8.150 nan 0.000 0.444 2198 L N -2.186 119.076 121.223 0.066 0.000 2.046 2198 L HA -0.163 5.447 4.340 2.116 0.000 0.208 2198 L C 2.481 179.301 176.870 -0.082 0.000 1.077 2198 L CA 1.281 56.102 54.840 -0.032 0.000 0.747 2198 L CB -0.526 41.473 42.059 -0.100 0.000 0.896 2198 L HN 0.390 nan 8.230 nan 0.000 0.432 2199 F N -0.078 119.802 119.950 -0.117 0.000 2.113 2199 F HA -0.149 5.648 4.527 2.116 0.000 0.297 2199 F C 2.639 178.406 175.800 -0.055 0.000 1.103 2199 F CA 1.185 59.076 58.000 -0.181 0.000 1.248 2199 F CB -0.774 37.903 39.000 -0.537 0.000 0.999 2199 F HN -0.015 nan 8.300 nan 0.000 0.475 2200 A N -0.163 122.767 122.820 0.183 0.000 1.986 2200 A HA -0.230 5.360 4.320 2.116 0.000 0.220 2200 A C 1.976 179.610 177.584 0.085 0.000 1.171 2200 A CA 2.018 54.140 52.037 0.142 0.000 0.640 2200 A CB -0.745 18.322 19.000 0.112 0.000 0.811 2200 A HN 0.492 nan 8.150 nan 0.000 0.451 2201 E N -0.522 119.707 120.200 0.047 0.000 2.442 2201 E HA 0.023 5.643 4.350 2.116 0.000 0.195 2201 E C -0.321 176.277 176.600 -0.004 0.000 1.030 2201 E CA 0.112 56.522 56.400 0.017 0.000 0.869 2201 E CB 0.103 29.803 29.700 0.001 0.000 0.857 2201 E HN 0.554 nan 8.360 nan 0.000 0.505 2202 N N 1.735 120.425 118.700 -0.016 0.000 2.672 2202 N HA 0.137 6.147 4.740 2.116 0.000 0.295 2202 N C -2.773 172.736 175.510 -0.000 0.000 1.924 2202 N CA -0.935 52.091 53.050 -0.039 0.000 0.851 2202 N CB 1.285 39.703 38.487 -0.115 0.000 1.281 2202 N HN 0.042 nan 8.380 nan 0.000 0.494 2203 P HA -0.011 nan 4.420 nan 0.000 0.262 2203 P C 0.951 178.295 177.300 0.074 0.000 1.182 2203 P CA 0.965 64.129 63.100 0.105 0.000 0.761 2203 P CB 0.531 32.285 31.700 0.089 0.000 0.795 2204 G N 3.178 112.043 108.800 0.109 0.000 2.258 2204 G HA2 -0.276 4.954 3.960 2.116 0.000 0.274 2204 G HA3 -0.276 4.954 3.960 2.116 0.000 0.274 2204 G C 0.526 175.442 174.900 0.027 0.000 1.021 2204 G CA 0.423 45.566 45.100 0.070 0.000 0.798 2204 G HN 0.656 nan 8.290 nan 0.000 0.507 2205 E N -1.172 119.028 120.200 0.001 0.000 2.541 2205 E HA 0.182 5.801 4.350 2.116 0.000 0.219 2205 E C 0.587 177.139 176.600 -0.081 0.000 0.922 2205 E CA -0.478 55.898 56.400 -0.040 0.000 1.095 2205 E CB 0.736 30.404 29.700 -0.053 0.000 1.112 2205 E HN 0.442 nan 8.360 nan 0.000 0.516 2206 I N 1.771 122.270 120.570 -0.118 0.000 2.337 2206 I HA 0.148 5.588 4.170 2.116 0.000 0.291 2206 I C 1.244 177.331 176.117 -0.050 0.000 1.046 2206 I CA 0.016 61.196 61.300 -0.201 0.000 1.324 2206 I CB 0.759 38.407 38.000 -0.587 0.000 1.409 2206 I HN -0.022 nan 8.210 nan 0.000 0.494 2207 A N 5.175 127.969 122.820 -0.044 0.000 1.968 2207 A HA 0.431 6.021 4.320 2.116 0.000 0.217 2207 A C 1.121 178.738 177.584 0.055 0.000 1.169 2207 A CA 1.161 53.206 52.037 0.014 0.000 0.638 2207 A CB -0.124 18.868 19.000 -0.014 0.000 0.812 2207 A HN 0.943 nan 8.150 nan 0.000 0.446 2208 G N -3.072 105.746 108.800 0.030 0.000 2.324 2208 G HA2 0.415 5.645 3.960 2.116 0.000 0.293 2208 G HA3 0.415 5.645 3.960 2.116 0.000 0.293 2208 G C -1.649 173.293 174.900 0.070 0.000 1.297 2208 G CA -0.060 45.098 45.100 0.097 0.000 0.853 2208 G HN 0.557 nan 8.290 nan 0.000 0.535 2209 V N 0.718 120.710 119.914 0.130 0.000 2.540 2209 V HA 0.727 6.117 4.120 2.116 0.000 0.302 2209 V C -0.138 176.052 176.094 0.159 0.000 1.035 2209 V CA -0.677 61.699 62.300 0.127 0.000 0.873 2209 V CB 1.534 33.488 31.823 0.219 0.000 0.992 2209 V HN 0.832 nan 8.190 nan 0.000 0.428 2210 I N 6.595 127.243 120.570 0.130 0.000 2.569 2210 I HA 0.831 6.271 4.170 2.116 0.000 0.296 2210 I C -1.147 175.107 176.117 0.228 0.000 1.028 2210 I CA -0.663 60.709 61.300 0.121 0.000 1.082 2210 I CB 1.618 39.603 38.000 -0.024 0.000 1.264 2210 I HN 0.769 nan 8.210 nan 0.000 0.429 2211 L N 3.127 124.546 121.223 0.326 0.000 2.869 2211 L HA 0.563 6.173 4.340 2.116 0.000 0.265 2211 L C -1.659 175.411 176.870 0.334 0.000 1.011 2211 L CA -0.973 54.172 54.840 0.508 0.000 0.913 2211 L CB 1.898 44.295 42.059 0.563 0.000 1.490 2211 L HN 0.504 nan 8.230 nan 0.000 0.410 2212 E N 1.846 122.223 120.200 0.295 0.000 2.180 2212 E HA 0.218 5.838 4.350 2.116 0.000 0.283 2212 E C -1.943 174.640 176.600 -0.029 0.000 1.061 2212 E CA -1.604 54.846 56.400 0.084 0.000 0.861 2212 E CB 1.333 31.035 29.700 0.003 0.000 1.056 2212 E HN 0.470 nan 8.360 nan 0.000 0.407 2213 P HA -0.161 nan 4.420 nan 0.000 0.217 2213 P C -0.071 177.162 177.300 -0.112 0.000 1.151 2213 P CA 1.375 64.189 63.100 -0.478 0.000 0.849 2213 P CB 0.342 31.639 31.700 -0.671 0.000 0.787 2214 I N -1.353 119.154 120.570 -0.105 0.000 2.512 2214 I HA 0.136 5.576 4.170 2.116 0.000 0.287 2214 I C -0.505 175.504 176.117 -0.180 0.000 1.069 2214 I CA -1.185 60.045 61.300 -0.118 0.000 1.056 2214 I CB 2.837 40.763 38.000 -0.124 0.000 1.229 2214 I HN -0.426 nan 8.210 nan 0.000 0.429 2215 V N 5.380 125.081 119.914 -0.355 0.000 2.637 2215 V HA 0.281 5.671 4.120 2.116 0.000 0.296 2215 V C 1.081 177.064 176.094 -0.185 0.000 1.046 2215 V CA 0.480 62.569 62.300 -0.353 0.000 1.066 2215 V CB 1.237 32.690 31.823 -0.616 0.000 0.968 2215 V HN 1.046 nan 8.190 nan 0.000 0.483 2216 G N 2.197 110.969 108.800 -0.048 0.000 2.989 2216 G HA2 0.024 5.253 3.960 2.116 0.000 0.221 2216 G HA3 0.024 5.253 3.960 2.116 0.000 0.221 2216 G C 0.605 175.540 174.900 0.058 0.000 1.050 2216 G CA -0.184 44.956 45.100 0.067 0.000 0.913 2216 G HN 0.592 nan 8.290 nan 0.000 0.587 2217 N N 1.259 119.967 118.700 0.013 0.000 2.235 2217 N HA 0.060 6.070 4.740 2.116 0.000 0.209 2217 N C 0.738 176.248 175.510 -0.000 0.000 1.122 2217 N CA 0.642 53.692 53.050 -0.000 0.000 0.845 2217 N CB 0.871 39.347 38.487 -0.018 0.000 1.004 2217 N HN 0.346 nan 8.380 nan 0.000 0.499 2218 S N -1.231 114.514 115.700 0.075 0.000 2.941 2218 S HA 0.500 6.240 4.470 2.116 0.000 0.248 2218 S C 0.522 175.374 174.600 0.421 0.000 0.962 2218 S CA -0.137 58.217 58.200 0.255 0.000 1.092 2218 S CB 0.664 63.950 63.200 0.143 0.000 1.113 2218 S HN 0.340 nan 8.310 nan 0.000 0.512 2219 G N 1.512 110.467 108.800 0.259 0.000 2.757 2219 G HA2 -0.059 5.170 3.960 2.116 0.000 0.638 2219 G HA3 -0.059 5.170 3.960 2.116 0.000 0.638 2219 G C -0.770 174.239 174.900 0.181 0.000 1.344 2219 G CA -0.662 44.499 45.100 0.102 0.000 0.855 2219 G HN 0.867 nan 8.290 nan 0.000 0.537 2220 F N 0.895 120.821 119.950 -0.039 0.000 2.444 2220 F HA 0.712 6.505 4.527 2.110 0.000 0.360 2220 F C 0.675 176.582 175.800 0.179 0.000 1.106 2220 F CA -0.813 57.194 58.000 0.011 0.000 1.170 2220 F CB 0.214 39.162 39.000 -0.086 0.000 1.113 2220 F HN 0.425 nan 8.300 nan 0.000 0.521 2221 I N 7.322 127.612 120.570 -0.468 0.000 2.500 2221 I HA 0.261 5.700 4.170 2.116 0.000 0.286 2221 I C -0.942 174.870 176.117 -0.508 0.000 1.063 2221 I CA -0.976 60.084 61.300 -0.400 0.000 1.062 2221 I CB 1.778 39.601 38.000 -0.294 0.000 1.223 2221 I HN 0.163 nan 8.210 nan 0.000 0.435 2222 V N 7.599 127.286 119.914 -0.378 0.000 2.743 2222 V HA 0.364 5.754 4.120 2.116 0.000 0.301 2222 V C -1.901 174.224 176.094 0.051 0.000 1.057 2222 V CA -1.461 60.748 62.300 -0.151 0.000 1.006 2222 V CB 1.540 33.332 31.823 -0.052 0.000 1.024 2222 V HN 0.577 nan 8.190 nan 0.000 0.473 2223 P HA 0.192 nan 4.420 nan 0.000 0.279 2223 P C -0.845 176.481 177.300 0.042 0.000 1.239 2223 P CA -0.444 62.764 63.100 0.181 0.000 0.789 2223 P CB 0.771 32.679 31.700 0.347 0.000 0.933 2224 D N 0.778 121.157 120.400 -0.035 0.000 2.361 2224 D HA 0.174 6.084 4.640 2.116 0.000 0.239 2224 D C 0.612 176.923 176.300 0.019 0.000 1.200 2224 D CA 0.211 54.201 54.000 -0.016 0.000 0.915 2224 D CB 0.494 41.297 40.800 0.005 0.000 1.170 2224 D HN 0.385 nan 8.370 nan 0.000 0.444 2225 A N 0.144 122.959 122.820 -0.008 0.000 2.540 2225 A HA 0.401 5.991 4.320 2.116 0.000 0.239 2225 A C 1.469 179.068 177.584 0.025 0.000 1.061 2225 A CA 0.692 52.717 52.037 -0.020 0.000 0.758 2225 A CB -0.303 18.681 19.000 -0.028 0.000 0.991 2225 A HN 0.826 nan 8.150 nan 0.000 0.502 2226 G N 1.087 109.900 108.800 0.022 0.000 2.212 2226 G HA2 -0.351 4.879 3.960 2.116 0.000 0.266 2226 G HA3 -0.351 4.879 3.960 2.116 0.000 0.266 2226 G C 0.817 175.766 174.900 0.082 0.000 0.978 2226 G CA 1.069 46.192 45.100 0.039 0.000 0.632 2226 G HN 1.319 nan 8.290 nan 0.000 0.537 2227 F N 1.304 121.214 119.950 -0.066 0.000 2.051 2227 F HA 0.155 5.953 4.527 2.118 0.000 0.296 2227 F C 2.615 178.377 175.800 -0.063 0.000 1.122 2227 F CA 2.168 60.106 58.000 -0.103 0.000 1.201 2227 F CB -0.658 38.220 39.000 -0.203 0.000 0.978 2227 F HN 0.179 nan 8.300 nan 0.000 0.472 2228 L N -0.132 120.981 121.223 -0.183 0.000 2.042 2228 L HA -0.224 5.386 4.340 2.116 0.000 0.210 2228 L C 2.347 179.172 176.870 -0.076 0.000 1.076 2228 L CA 1.758 56.494 54.840 -0.173 0.000 0.749 2228 L CB -0.896 41.220 42.059 0.096 0.000 0.893 2228 L HN 0.128 nan 8.230 nan 0.000 0.432 2229 E N 0.420 120.606 120.200 -0.024 0.000 2.077 2229 E HA -0.159 5.461 4.350 2.116 0.000 0.193 2229 E C 2.209 178.781 176.600 -0.047 0.000 0.989 2229 E CA 1.283 57.675 56.400 -0.014 0.000 0.800 2229 E CB -0.596 29.104 29.700 -0.001 0.000 0.746 2229 E HN 0.472 nan 8.360 nan 0.000 0.452 2230 G N 0.821 109.583 108.800 -0.064 0.000 2.446 2230 G HA2 -0.262 4.968 3.960 2.116 0.000 0.217 2230 G HA3 -0.262 4.968 3.960 2.116 0.000 0.217 2230 G C 1.543 176.383 174.900 -0.099 0.000 1.168 2230 G CA 0.821 45.885 45.100 -0.061 0.000 0.771 2230 G HN 0.151 nan 8.290 nan 0.000 0.551 2231 L N 0.021 121.134 121.223 -0.183 0.000 2.042 2231 L HA -0.123 5.487 4.340 2.116 0.000 0.210 2231 L C 2.961 179.789 176.870 -0.070 0.000 1.076 2231 L CA 1.454 56.208 54.840 -0.142 0.000 0.749 2231 L CB -0.377 41.542 42.059 -0.234 0.000 0.893 2231 L HN 0.189 nan 8.230 nan 0.000 0.432 2232 R N 0.812 121.279 120.500 -0.056 0.000 2.073 2232 R HA -0.214 5.396 4.340 2.116 0.000 0.234 2232 R C 2.027 178.295 176.300 -0.054 0.000 1.134 2232 R CA 1.986 58.059 56.100 -0.046 0.000 0.952 2232 R CB -0.617 29.658 30.300 -0.041 0.000 0.850 2232 R HN 0.432 nan 8.270 nan 0.000 0.433 2233 E N 0.217 120.383 120.200 -0.056 0.000 2.051 2233 E HA -0.160 5.459 4.350 2.116 0.000 0.192 2233 E C 2.038 178.595 176.600 -0.072 0.000 0.991 2233 E CA 1.824 58.192 56.400 -0.053 0.000 0.799 2233 E CB -0.289 29.386 29.700 -0.043 0.000 0.748 2233 E HN 0.581 nan 8.360 nan 0.000 0.449 2234 I N -0.270 120.231 120.570 -0.116 0.000 2.226 2234 I HA -0.207 5.232 4.170 2.116 0.000 0.245 2234 I C 2.526 178.485 176.117 -0.264 0.000 1.100 2234 I CA 1.810 62.983 61.300 -0.213 0.000 1.374 2234 I CB -1.178 36.593 38.000 -0.380 0.000 1.057 2234 I HN 0.079 nan 8.210 nan 0.000 0.413 2235 T N 0.897 115.332 114.554 -0.199 0.000 2.684 2235 T HA -0.124 5.496 4.350 2.116 0.000 0.267 2235 T C 2.010 176.713 174.700 0.006 0.000 1.036 2235 T CA 1.644 63.702 62.100 -0.070 0.000 1.148 2235 T CB -1.041 67.846 68.868 0.032 0.000 0.863 2235 T HN 0.444 nan 8.240 nan 0.000 0.436 2236 L N 0.953 122.167 121.223 -0.015 0.000 2.042 2236 L HA -0.109 5.501 4.340 2.116 0.000 0.210 2236 L C 3.077 179.942 176.870 -0.008 0.000 1.076 2236 L CA 2.021 56.858 54.840 -0.005 0.000 0.749 2236 L CB -0.676 41.369 42.059 -0.023 0.000 0.893 2236 L HN 0.423 nan 8.230 nan 0.000 0.432 2237 E N -0.158 120.027 120.200 -0.025 0.000 2.085 2237 E HA -0.234 5.385 4.350 2.116 0.000 0.194 2237 E C 1.129 177.618 176.600 -0.184 0.000 0.994 2237 E CA 1.408 57.748 56.400 -0.100 0.000 0.801 2237 E CB 0.104 29.736 29.700 -0.113 0.000 0.743 2237 E HN 0.588 nan 8.360 nan 0.000 0.453 2238 H N 0.258 119.277 119.070 -0.084 0.000 2.507 2238 H HA 0.164 5.991 4.556 2.117 0.000 0.294 2238 H C -0.637 174.740 175.328 0.081 0.000 1.064 2238 H CA 0.199 56.263 56.048 0.027 0.000 1.138 2238 H CB 0.327 30.166 29.762 0.128 0.000 1.515 2238 H HN 0.109 nan 8.280 nan 0.000 0.547 2239 D N 0.170 120.646 120.400 0.126 0.000 2.701 2239 D HA -0.174 5.736 4.640 2.116 0.000 0.235 2239 D C 0.026 176.423 176.300 0.161 0.000 1.155 2239 D CA 0.990 55.057 54.000 0.112 0.000 0.649 2239 D CB -1.047 39.799 40.800 0.076 0.000 1.050 2239 D HN 0.578 nan 8.370 nan 0.000 0.425 2240 A N -0.123 122.814 122.820 0.196 0.000 2.311 2240 A HA 0.663 6.253 4.320 2.116 0.000 0.334 2240 A C -0.092 177.585 177.584 0.154 0.000 1.139 2240 A CA -0.622 51.548 52.037 0.221 0.000 0.830 2240 A CB 1.227 20.466 19.000 0.397 0.000 1.234 2240 A HN 0.088 nan 8.150 nan 0.000 0.483 2241 L N 0.730 122.032 121.223 0.131 0.000 2.350 2241 L HA 0.463 6.073 4.340 2.116 0.000 0.275 2241 L C -0.284 176.627 176.870 0.068 0.000 1.099 2241 L CA -0.240 54.643 54.840 0.072 0.000 0.808 2241 L CB 1.151 43.236 42.059 0.043 0.000 1.149 2241 L HN 0.630 nan 8.230 nan 0.000 0.442 2242 L N 4.241 125.475 121.223 0.018 0.000 2.280 2242 L HA 0.587 6.197 4.340 2.116 0.000 0.287 2242 L C -0.866 176.006 176.870 0.003 0.000 1.023 2242 L CA -0.129 54.730 54.840 0.032 0.000 0.819 2242 L CB 1.340 43.376 42.059 -0.039 0.000 1.212 2242 L HN 0.278 nan 8.230 nan 0.000 0.420 2243 V N 5.842 125.828 119.914 0.120 0.000 2.384 2243 V HA 0.438 5.828 4.120 2.116 0.000 0.287 2243 V C -0.529 175.794 176.094 0.381 0.000 1.020 2243 V CA -0.473 61.910 62.300 0.138 0.000 0.850 2243 V CB 1.277 33.149 31.823 0.082 0.000 0.987 2243 V HN 0.451 nan 8.190 nan 0.000 0.436 2244 F N 2.892 122.868 119.950 0.044 0.000 2.405 2244 F HA 0.372 6.171 4.527 2.119 0.000 0.355 2244 F C 0.521 176.371 175.800 0.083 0.000 1.121 2244 F CA -1.555 56.485 58.000 0.067 0.000 1.112 2244 F CB 1.197 40.218 39.000 0.034 0.000 1.126 2244 F HN 0.497 nan 8.300 nan 0.000 0.481 2245 D N 3.969 124.532 120.400 0.271 0.000 2.422 2245 D HA 0.068 5.978 4.640 2.116 0.000 0.227 2245 D C 0.177 176.581 176.300 0.174 0.000 1.190 2245 D CA 0.164 54.308 54.000 0.240 0.000 0.905 2245 D CB 0.356 41.392 40.800 0.393 0.000 1.034 2245 D HN 0.580 nan 8.370 nan 0.000 0.507 2246 E N 2.828 123.119 120.200 0.152 0.000 2.496 2246 E HA 0.050 5.670 4.350 2.116 0.000 0.202 2246 E C 1.588 178.259 176.600 0.120 0.000 1.021 2246 E CA -0.172 56.291 56.400 0.105 0.000 1.015 2246 E CB 1.024 30.764 29.700 0.066 0.000 1.102 2246 E HN 0.319 nan 8.360 nan 0.000 0.452 2247 V N 0.990 120.989 119.914 0.141 0.000 2.332 2247 V HA -0.290 5.100 4.120 2.116 0.000 0.248 2247 V C 2.218 178.402 176.094 0.149 0.000 1.055 2247 V CA 1.945 64.334 62.300 0.149 0.000 1.038 2247 V CB -0.269 31.640 31.823 0.143 0.000 0.651 2247 V HN 0.402 nan 8.190 nan 0.000 0.450 2248 M N -0.224 119.468 119.600 0.152 0.000 2.447 2248 M HA -0.072 5.678 4.480 2.116 0.000 0.266 2248 M C 2.197 178.604 176.300 0.178 0.000 1.120 2248 M CA 1.676 57.079 55.300 0.173 0.000 1.166 2248 M CB 0.070 32.816 32.600 0.242 0.000 1.349 2248 M HN 0.538 nan 8.290 nan 0.000 0.463 2249 T N -1.729 112.910 114.554 0.142 0.000 3.014 2249 T HA 0.158 5.778 4.350 2.116 0.000 0.263 2249 T C 1.213 175.954 174.700 0.068 0.000 1.078 2249 T CA 0.400 62.568 62.100 0.112 0.000 1.135 2249 T CB -1.145 67.745 68.868 0.037 0.000 0.895 2249 T HN 0.426 nan 8.240 nan 0.000 0.480 2250 G N 0.583 109.413 108.800 0.049 0.000 2.225 2250 G HA2 0.321 5.550 3.960 2.116 0.000 0.245 2250 G HA3 0.321 5.550 3.960 2.116 0.000 0.245 2250 G C -0.030 174.923 174.900 0.088 0.000 1.249 2250 G CA -0.445 44.617 45.100 -0.064 0.000 0.919 2250 G HN 0.422 nan 8.290 nan 0.000 0.486 2251 F N -0.690 119.274 119.950 0.023 0.000 2.825 2251 F HA -0.275 5.521 4.527 2.115 0.000 0.358 2251 F C 1.948 177.920 175.800 0.287 0.000 0.639 2251 F CA 1.552 59.613 58.000 0.101 0.000 1.153 2251 F CB -0.988 38.040 39.000 0.048 0.000 1.610 2251 F HN 0.591 nan 8.300 nan 0.000 0.305 2252 R N 0.352 121.054 120.500 0.335 0.000 2.119 2252 R HA 0.210 5.820 4.340 2.116 0.000 0.202 2252 R C 2.010 178.531 176.300 0.367 0.000 1.114 2252 R CA 0.535 56.856 56.100 0.370 0.000 1.089 2252 R CB 0.070 30.530 30.300 0.266 0.000 1.000 2252 R HN 0.213 nan 8.270 nan 0.000 0.487 2253 I N 1.308 121.987 120.570 0.181 0.000 2.394 2253 I HA 0.071 5.511 4.170 2.116 0.000 0.251 2253 I C 0.809 176.908 176.117 -0.029 0.000 1.136 2253 I CA 1.016 62.369 61.300 0.089 0.000 1.425 2253 I CB -0.604 37.370 38.000 -0.042 0.000 1.079 2253 I HN 0.314 nan 8.210 nan 0.000 0.425 2254 A N -2.016 120.683 122.820 -0.202 0.000 2.567 2254 A HA 0.285 5.875 4.320 2.116 0.000 0.291 2254 A C 0.075 177.311 177.584 -0.579 0.000 1.048 2254 A CA -0.576 51.068 52.037 -0.655 0.000 0.661 2254 A CB -0.158 18.633 19.000 -0.349 0.000 1.288 2254 A HN 0.041 nan 8.150 nan 0.000 0.424 2255 Y N 0.951 120.759 120.300 -0.819 0.000 2.207 2255 Y HA -0.022 5.798 4.550 2.116 0.000 0.287 2255 Y C 2.033 177.759 175.900 -0.289 0.000 1.156 2255 Y CA 3.137 61.120 58.100 -0.195 0.000 1.182 2255 Y CB 0.011 38.466 38.460 -0.008 0.000 0.979 2255 Y HN 0.747 nan 8.280 nan 0.000 0.521 2256 G N -0.790 107.875 108.800 -0.225 0.000 3.284 2256 G HA2 0.406 5.636 3.960 2.116 0.000 0.236 2256 G HA3 0.406 5.636 3.960 2.116 0.000 0.236 2256 G C 0.663 175.384 174.900 -0.299 0.000 1.158 2256 G CA 0.306 45.235 45.100 -0.286 0.000 0.774 2256 G HN 0.808 nan 8.290 nan 0.000 0.545 2257 G N -0.674 107.928 108.800 -0.329 0.000 2.698 2257 G HA2 -0.229 5.001 3.960 2.116 0.000 0.233 2257 G HA3 -0.229 5.001 3.960 2.116 0.000 0.233 2257 G C 1.005 175.797 174.900 -0.179 0.000 1.352 2257 G CA -0.216 44.746 45.100 -0.231 0.000 0.879 2257 G HN 0.590 nan 8.290 nan 0.000 0.567 2258 V N 1.441 121.254 119.914 -0.169 0.000 2.343 2258 V HA -0.267 5.123 4.120 2.116 0.000 0.247 2258 V C 3.086 179.121 176.094 -0.098 0.000 1.051 2258 V CA 3.241 65.370 62.300 -0.286 0.000 1.036 2258 V CB -0.915 30.718 31.823 -0.317 0.000 0.654 2258 V HN 0.883 nan 8.190 nan 0.000 0.451 2259 Q N 0.856 120.723 119.800 0.112 0.000 2.135 2259 Q HA -0.313 5.297 4.340 2.116 0.000 0.204 2259 Q C 2.128 178.173 176.000 0.076 0.000 0.981 2259 Q CA 2.304 58.231 55.803 0.207 0.000 0.856 2259 Q CB -0.494 28.335 28.738 0.152 0.000 0.902 2259 Q HN 0.814 nan 8.270 nan 0.000 0.425 2260 E N 1.349 121.547 120.200 -0.003 0.000 2.028 2260 E HA -0.210 5.410 4.350 2.116 0.000 0.190 2260 E C 2.025 178.639 176.600 0.023 0.000 0.984 2260 E CA 1.109 57.504 56.400 -0.009 0.000 0.800 2260 E CB 0.035 29.702 29.700 -0.056 0.000 0.758 2260 E HN 0.202 nan 8.360 nan 0.000 0.448 2261 K N 0.429 120.814 120.400 -0.026 0.000 2.001 2261 K HA -0.139 5.451 4.320 2.116 0.000 0.214 2261 K C 1.622 178.405 176.600 0.305 0.000 1.050 2261 K CA 2.021 58.329 56.287 0.035 0.000 0.934 2261 K CB -0.457 31.936 32.500 -0.177 0.000 0.718 2261 K HN 0.280 nan 8.250 nan 0.000 0.443 2262 F N -0.429 119.554 119.950 0.054 0.000 2.797 2262 F HA 0.179 5.975 4.527 2.115 0.000 0.302 2262 F C 1.157 176.993 175.800 0.059 0.000 1.130 2262 F CA -0.184 57.852 58.000 0.060 0.000 1.387 2262 F CB 0.289 39.331 39.000 0.071 0.000 1.107 2262 F HN 0.394 nan 8.300 nan 0.000 0.577 2263 G N 1.642 110.577 108.800 0.226 0.000 2.225 2263 G HA2 -0.290 4.940 3.960 2.116 0.000 0.267 2263 G HA3 -0.290 4.940 3.960 2.116 0.000 0.267 2263 G C -0.324 174.643 174.900 0.111 0.000 1.024 2263 G CA 0.059 45.238 45.100 0.131 0.000 0.784 2263 G HN 0.183 nan 8.290 nan 0.000 0.507 2264 V N 0.639 120.644 119.914 0.153 0.000 2.409 2264 V HA 0.579 5.969 4.120 2.116 0.000 0.291 2264 V C 0.403 176.479 176.094 -0.030 0.000 1.020 2264 V CA -0.306 62.054 62.300 0.100 0.000 0.848 2264 V CB 1.929 33.886 31.823 0.224 0.000 0.990 2264 V HN 0.287 nan 8.190 nan 0.000 0.430 2265 T N 8.075 122.552 114.554 -0.129 0.000 2.738 2265 T HA 0.387 6.007 4.350 2.116 0.000 0.298 2265 T C -2.218 172.255 174.700 -0.378 0.000 0.962 2265 T CA -0.868 61.095 62.100 -0.228 0.000 0.972 2265 T CB 1.395 70.183 68.868 -0.133 0.000 0.928 2265 T HN 0.521 nan 8.240 nan 0.000 0.474 2266 P HA 0.342 nan 4.420 nan 0.000 0.279 2266 P C -0.037 177.075 177.300 -0.313 0.000 1.282 2266 P CA -0.419 62.304 63.100 -0.629 0.000 0.788 2266 P CB 1.320 32.417 31.700 -1.005 0.000 1.139 2267 D N -1.021 119.247 120.400 -0.220 0.000 2.301 2267 D HA 0.116 6.026 4.640 2.116 0.000 0.206 2267 D C 0.322 176.535 176.300 -0.145 0.000 0.979 2267 D CA 1.094 54.997 54.000 -0.162 0.000 0.874 2267 D CB 0.224 40.943 40.800 -0.135 0.000 0.968 2267 D HN 0.087 nan 8.370 nan 0.000 0.510 2268 L N -0.096 121.058 121.223 -0.116 0.000 2.393 2268 L HA 0.396 6.006 4.340 2.116 0.000 0.260 2268 L C -0.643 176.218 176.870 -0.016 0.000 1.002 2268 L CA -0.393 54.411 54.840 -0.059 0.000 0.818 2268 L CB 2.415 44.453 42.059 -0.034 0.000 1.369 2268 L HN -0.321 nan 8.230 nan 0.000 0.412 2269 T N 0.351 114.919 114.554 0.023 0.000 2.916 2269 T HA 0.657 6.277 4.350 2.116 0.000 0.298 2269 T C -0.596 174.167 174.700 0.105 0.000 1.031 2269 T CA -0.644 61.500 62.100 0.073 0.000 0.993 2269 T CB 1.791 70.680 68.868 0.035 0.000 1.045 2269 T HN 0.692 nan 8.240 nan 0.000 0.454 2270 T N 1.525 116.159 114.554 0.134 0.000 2.859 2270 T HA 0.858 6.477 4.350 2.116 0.000 0.281 2270 T C -0.450 174.336 174.700 0.144 0.000 1.005 2270 T CA -0.814 61.375 62.100 0.147 0.000 1.025 2270 T CB 0.650 69.600 68.868 0.137 0.000 0.977 2270 T HN 0.398 nan 8.240 nan 0.000 0.458 2271 L N 1.205 122.523 121.223 0.158 0.000 2.327 2271 L HA 0.914 6.524 4.340 2.116 0.000 0.258 2271 L C 0.569 177.550 176.870 0.184 0.000 1.024 2271 L CA -0.923 54.026 54.840 0.182 0.000 0.825 2271 L CB 2.339 44.535 42.059 0.228 0.000 1.386 2271 L HN 1.082 nan 8.230 nan 0.000 0.417 2272 G N -0.685 108.227 108.800 0.188 0.000 2.500 2272 G HA2 0.341 5.571 3.960 2.116 0.000 0.299 2272 G HA3 0.341 5.571 3.960 2.116 0.000 0.299 2272 G C -0.768 174.212 174.900 0.134 0.000 1.242 2272 G CA -0.081 45.111 45.100 0.154 0.000 0.859 2272 G HN 0.537 nan 8.290 nan 0.000 0.481 2273 K N -1.094 119.370 120.400 0.107 0.000 4.822 2273 K HA -0.352 5.238 4.320 2.116 0.000 0.252 2273 K C 2.088 178.716 176.600 0.046 0.000 0.687 2273 K CA 2.380 58.714 56.287 0.078 0.000 0.808 2273 K CB -1.342 31.198 32.500 0.067 0.000 0.777 2273 K HN 0.374 nan 8.250 nan 0.000 0.840 2274 I N 1.028 121.627 120.570 0.047 0.000 2.194 2274 I HA -0.276 5.164 4.170 2.116 0.000 0.246 2274 I C 2.570 178.631 176.117 -0.094 0.000 1.093 2274 I CA 1.701 63.001 61.300 -0.002 0.000 1.355 2274 I CB -0.306 37.733 38.000 0.064 0.000 1.046 2274 I HN 0.356 nan 8.210 nan 0.000 0.413 2275 I N 0.772 121.296 120.570 -0.078 0.000 2.530 2275 I HA -0.221 5.219 4.170 2.116 0.000 0.257 2275 I C 2.062 178.116 176.117 -0.104 0.000 1.179 2275 I CA 1.573 62.776 61.300 -0.161 0.000 1.440 2275 I CB -0.209 37.803 38.000 0.021 0.000 1.087 2275 I HN 0.235 nan 8.210 nan 0.000 0.440 2276 G N -0.524 108.248 108.800 -0.047 0.000 2.939 2276 G HA2 0.115 5.344 3.960 2.116 0.000 0.210 2276 G HA3 0.115 5.344 3.960 2.116 0.000 0.210 2276 G C 1.254 176.123 174.900 -0.051 0.000 1.160 2276 G CA 0.385 45.458 45.100 -0.046 0.000 0.770 2276 G HN 0.576 nan 8.290 nan 0.000 0.543 2277 G N -0.437 108.328 108.800 -0.058 0.000 2.269 2277 G HA2 0.149 5.379 3.960 2.116 0.000 0.277 2277 G HA3 0.149 5.379 3.960 2.116 0.000 0.277 2277 G C 1.193 176.090 174.900 -0.005 0.000 1.008 2277 G CA 1.321 46.393 45.100 -0.047 0.000 0.774 2277 G HN 1.820 nan 8.290 nan 0.000 0.511 2278 G N -2.957 105.852 108.800 0.015 0.000 2.255 2278 G HA2 0.042 5.272 3.960 2.116 0.000 0.196 2278 G HA3 0.042 5.272 3.960 2.116 0.000 0.196 2278 G C 0.098 175.023 174.900 0.041 0.000 0.998 2278 G CA 0.279 45.407 45.100 0.047 0.000 0.656 2278 G HN 1.071 nan 8.290 nan 0.000 0.490 2279 L N 1.154 122.387 121.223 0.017 0.000 2.334 2279 L HA 0.678 6.288 4.340 2.116 0.000 0.270 2279 L C -2.182 174.700 176.870 0.019 0.000 1.018 2279 L CA -2.307 52.540 54.840 0.011 0.000 0.811 2279 L CB 1.197 43.245 42.059 -0.018 0.000 1.271 2279 L HN -0.182 nan 8.230 nan 0.000 0.443 2280 P HA 0.206 nan 4.420 nan 0.000 0.269 2280 P C -1.322 175.996 177.300 0.030 0.000 1.263 2280 P CA 0.137 63.260 63.100 0.039 0.000 0.813 2280 P CB 0.337 32.061 31.700 0.041 0.000 0.868 2281 V N 3.238 123.179 119.914 0.046 0.000 2.851 2281 V HA 0.827 6.217 4.120 2.116 0.000 0.307 2281 V C 0.366 176.525 176.094 0.107 0.000 1.129 2281 V CA -0.577 61.757 62.300 0.056 0.000 0.932 2281 V CB 2.424 34.253 31.823 0.009 0.000 1.024 2281 V HN 0.602 nan 8.190 nan 0.000 0.426 2282 G N 1.516 110.408 108.800 0.153 0.000 2.733 2282 G HA2 1.010 6.240 3.960 2.116 0.000 0.288 2282 G HA3 1.010 6.240 3.960 2.116 0.000 0.288 2282 G C -1.215 173.830 174.900 0.242 0.000 1.373 2282 G CA -0.295 44.912 45.100 0.178 0.000 0.895 2282 G HN 1.449 nan 8.290 nan 0.000 0.479 2283 A N -0.706 122.243 122.820 0.215 0.000 2.594 2283 A HA 0.762 6.352 4.320 2.116 0.000 0.296 2283 A C -1.696 175.987 177.584 0.165 0.000 1.056 2283 A CA -0.684 51.436 52.037 0.138 0.000 0.693 2283 A CB 0.998 20.056 19.000 0.096 0.000 1.278 2283 A HN 2.079 nan 8.150 nan 0.000 0.408 2284 Y N -0.539 119.720 120.300 -0.070 0.000 2.470 2284 Y HA 0.868 6.688 4.550 2.116 0.000 0.341 2284 Y C 0.016 175.848 175.900 -0.113 0.000 1.021 2284 Y CA -0.426 57.635 58.100 -0.064 0.000 1.025 2284 Y CB 1.423 39.852 38.460 -0.052 0.000 1.266 2284 Y HN 1.445 nan 8.280 nan 0.000 0.448 2285 G N 0.231 109.006 108.800 -0.041 0.000 2.649 2285 G HA2 0.736 5.965 3.960 2.116 0.000 0.290 2285 G HA3 0.736 5.965 3.960 2.116 0.000 0.290 2285 G C -0.936 173.923 174.900 -0.068 0.000 1.426 2285 G CA -0.485 44.532 45.100 -0.137 0.000 0.794 2285 G HN 1.497 nan 8.290 nan 0.000 0.483 2286 G N -0.862 107.879 108.800 -0.099 0.000 2.392 2286 G HA2 0.437 5.667 3.960 2.116 0.000 0.260 2286 G HA3 0.437 5.667 3.960 2.116 0.000 0.260 2286 G C -1.256 173.575 174.900 -0.115 0.000 1.226 2286 G CA -0.838 44.201 45.100 -0.102 0.000 0.913 2286 G HN 0.551 nan 8.290 nan 0.000 0.483 2287 K N 0.636 120.956 120.400 -0.134 0.000 2.527 2287 K HA 0.101 5.691 4.320 2.116 0.000 0.278 2287 K C 1.542 178.068 176.600 -0.122 0.000 0.981 2287 K CA -0.141 56.069 56.287 -0.127 0.000 1.009 2287 K CB 1.137 33.545 32.500 -0.153 0.000 0.895 2287 K HN 0.629 nan 8.250 nan 0.000 0.493 2288 R N 2.241 122.688 120.500 -0.087 0.000 2.083 2288 R HA -0.203 5.407 4.340 2.116 0.000 0.237 2288 R C 1.290 177.556 176.300 -0.057 0.000 1.137 2288 R CA 1.992 58.051 56.100 -0.068 0.000 0.951 2288 R CB 0.125 30.398 30.300 -0.045 0.000 0.851 2288 R HN 0.567 nan 8.270 nan 0.000 0.434 2289 E N 0.248 120.421 120.200 -0.045 0.000 2.171 2289 E HA -0.202 5.417 4.350 2.116 0.000 0.197 2289 E C 1.821 178.413 176.600 -0.012 0.000 0.997 2289 E CA 1.534 57.940 56.400 0.010 0.000 0.810 2289 E CB -0.196 29.543 29.700 0.065 0.000 0.738 2289 E HN 0.475 nan 8.360 nan 0.000 0.467 2290 I N -0.119 120.322 120.570 -0.215 0.000 2.277 2290 I HA -0.166 5.274 4.170 2.116 0.000 0.243 2290 I C 1.934 177.990 176.117 -0.101 0.000 1.094 2290 I CA 0.668 61.758 61.300 -0.351 0.000 1.393 2290 I CB -0.227 37.424 38.000 -0.581 0.000 1.078 2290 I HN 0.115 nan 8.210 nan 0.000 0.417 2291 M N 0.220 119.765 119.600 -0.091 0.000 2.358 2291 M HA -0.205 5.545 4.480 2.116 0.000 0.264 2291 M C 2.170 178.456 176.300 -0.024 0.000 1.064 2291 M CA 1.408 56.676 55.300 -0.053 0.000 1.093 2291 M CB -1.207 31.333 32.600 -0.101 0.000 1.401 2291 M HN 0.224 nan 8.290 nan 0.000 0.440 2292 Q N 0.539 120.334 119.800 -0.007 0.000 2.291 2292 Q HA -0.082 5.527 4.340 2.116 0.000 0.206 2292 Q C 1.523 177.544 176.000 0.036 0.000 0.976 2292 Q CA 1.146 56.956 55.803 0.013 0.000 0.875 2292 Q CB -0.231 28.523 28.738 0.027 0.000 0.927 2292 Q HN 0.377 nan 8.270 nan 0.000 0.450 2293 L N -0.817 120.442 121.223 0.060 0.000 2.478 2293 L HA 0.051 5.661 4.340 2.116 0.000 0.223 2293 L C 0.078 176.983 176.870 0.058 0.000 1.140 2293 L CA 0.367 55.250 54.840 0.072 0.000 0.842 2293 L CB -0.272 41.852 42.059 0.108 0.000 0.953 2293 L HN -0.083 nan 8.230 nan 0.000 0.452 2294 V N 0.830 120.772 119.914 0.047 0.000 2.508 2294 V HA 0.362 5.752 4.120 2.116 0.000 0.281 2294 V C 0.967 177.069 176.094 0.012 0.000 1.041 2294 V CA -0.896 61.429 62.300 0.041 0.000 1.016 2294 V CB 0.396 32.247 31.823 0.046 0.000 0.984 2294 V HN 0.265 nan 8.190 nan 0.000 0.478 2295 A N 8.255 131.078 122.820 0.005 0.000 2.520 2295 A HA 0.335 5.924 4.320 2.116 0.000 0.235 2295 A C -0.624 176.941 177.584 -0.033 0.000 1.065 2295 A CA -0.630 51.411 52.037 0.006 0.000 0.764 2295 A CB -0.117 18.899 19.000 0.027 0.000 1.002 2295 A HN 0.790 nan 8.150 nan 0.000 0.502 2296 P HA 0.105 nan 4.420 nan 0.000 0.249 2296 P C 0.946 178.264 177.300 0.030 0.000 1.229 2296 P CA 0.937 64.059 63.100 0.036 0.000 0.788 2296 P CB 0.305 32.029 31.700 0.041 0.000 1.072 2297 A N 0.137 122.966 122.820 0.015 0.000 1.929 2297 A HA 0.303 5.893 4.320 2.116 0.000 0.216 2297 A C 1.415 179.015 177.584 0.026 0.000 1.176 2297 A CA 1.405 53.450 52.037 0.014 0.000 0.628 2297 A CB -0.914 18.086 19.000 0.000 0.000 0.816 2297 A HN 0.374 nan 8.150 nan 0.000 0.444 2298 G N -2.543 106.277 108.800 0.034 0.000 3.015 2298 G HA2 0.494 5.724 3.960 2.116 0.000 0.281 2298 G HA3 0.494 5.724 3.960 2.116 0.000 0.281 2298 G C -2.162 172.773 174.900 0.058 0.000 1.386 2298 G CA -0.241 44.886 45.100 0.044 0.000 0.959 2298 G HN -0.069 nan 8.290 nan 0.000 0.522 2299 P HA 0.004 nan 4.420 nan 0.000 0.225 2299 P C 0.927 178.282 177.300 0.091 0.000 1.156 2299 P CA 0.466 63.607 63.100 0.069 0.000 0.787 2299 P CB 0.338 32.066 31.700 0.047 0.000 0.802 2300 M N 0.574 120.221 119.600 0.078 0.000 2.292 2300 M HA 0.087 5.837 4.480 2.116 0.000 0.342 2300 M C -0.757 175.604 176.300 0.103 0.000 1.538 2300 M CA -0.503 54.845 55.300 0.080 0.000 1.163 2300 M CB -0.119 32.511 32.600 0.051 0.000 1.823 2300 M HN -0.173 nan 8.290 nan 0.000 0.462 2301 Y N 5.134 125.441 120.300 0.012 0.000 2.319 2301 Y HA 0.252 6.072 4.550 2.116 0.000 0.328 2301 Y C -0.253 175.658 175.900 0.019 0.000 1.133 2301 Y CA 0.630 58.740 58.100 0.017 0.000 1.265 2301 Y CB 0.539 39.005 38.460 0.009 0.000 1.218 2301 Y HN 0.609 nan 8.280 nan 0.000 0.508 2302 Q N 4.536 124.002 119.800 -0.556 0.000 2.364 2302 Q HA 0.626 6.235 4.340 2.116 0.000 0.257 2302 Q C -2.231 173.493 176.000 -0.460 0.000 0.956 2302 Q CA -0.410 55.206 55.803 -0.311 0.000 0.924 2302 Q CB 1.503 30.193 28.738 -0.080 0.000 1.413 2302 Q HN 0.890 nan 8.270 nan 0.000 0.418 2303 A N 1.460 124.101 122.820 -0.298 0.000 2.552 2303 A HA 1.056 6.646 4.320 2.116 0.000 0.288 2303 A C -0.877 176.690 177.584 -0.029 0.000 1.193 2303 A CA -0.211 51.713 52.037 -0.189 0.000 0.713 2303 A CB 1.985 20.884 19.000 -0.169 0.000 1.305 2303 A HN 0.908 nan 8.150 nan 0.000 0.424 2304 G N -1.079 107.726 108.800 0.008 0.000 2.596 2304 G HA2 0.468 5.698 3.960 2.116 0.000 0.300 2304 G HA3 0.468 5.698 3.960 2.116 0.000 0.300 2304 G C 0.077 175.002 174.900 0.041 0.000 1.370 2304 G CA 0.546 45.668 45.100 0.036 0.000 1.170 2304 G HN 0.693 nan 8.290 nan 0.000 0.594 2305 T N 2.178 116.759 114.554 0.045 0.000 2.652 2305 T HA -0.144 5.476 4.350 2.116 0.000 0.267 2305 T C 2.215 176.935 174.700 0.033 0.000 1.039 2305 T CA 1.438 63.564 62.100 0.044 0.000 1.153 2305 T CB -0.113 68.781 68.868 0.043 0.000 0.863 2305 T HN 0.236 nan 8.240 nan 0.000 0.428 2306 L N 1.070 122.308 121.223 0.026 0.000 2.592 2306 L HA 0.230 5.840 4.340 2.116 0.000 0.227 2306 L C 0.735 177.607 176.870 0.003 0.000 1.127 2306 L CA -0.001 54.843 54.840 0.007 0.000 0.884 2306 L CB -0.072 41.989 42.059 0.002 0.000 1.065 2306 L HN 0.001 nan 8.230 nan 0.000 0.457 2307 S N 0.424 116.141 115.700 0.028 0.000 2.537 2307 S HA 0.312 6.051 4.470 2.116 0.000 0.286 2307 S C 1.315 175.933 174.600 0.029 0.000 1.299 2307 S CA 0.438 58.667 58.200 0.049 0.000 1.067 2307 S CB 0.513 63.760 63.200 0.078 0.000 0.864 2307 S HN 0.579 nan 8.310 nan 0.000 0.494 2308 G N 2.921 111.719 108.800 -0.003 0.000 2.153 2308 G HA2 -0.313 4.917 3.960 2.116 0.000 0.252 2308 G HA3 -0.313 4.917 3.960 2.116 0.000 0.252 2308 G C -0.112 174.703 174.900 -0.141 0.000 0.994 2308 G CA 0.215 45.263 45.100 -0.087 0.000 0.698 2308 G HN 0.993 nan 8.290 nan 0.000 0.521 2309 N N 0.254 118.866 118.700 -0.147 0.000 2.441 2309 N HA 0.389 6.398 4.740 2.116 0.000 0.251 2309 N C -0.404 174.935 175.510 -0.284 0.000 1.242 2309 N CA -0.744 52.174 53.050 -0.220 0.000 0.898 2309 N CB 0.892 39.274 38.487 -0.176 0.000 1.100 2309 N HN 0.141 nan 8.380 nan 0.000 0.443 2310 P HA -0.226 nan 4.420 nan 0.000 0.217 2310 P C 1.211 178.369 177.300 -0.236 0.000 1.148 2310 P CA 1.319 64.202 63.100 -0.362 0.000 0.828 2310 P CB 0.188 31.531 31.700 -0.595 0.000 0.783 2311 L N -0.578 120.517 121.223 -0.214 0.000 2.005 2311 L HA -0.129 5.481 4.340 2.116 0.000 0.207 2311 L C 2.854 179.646 176.870 -0.130 0.000 1.072 2311 L CA 1.695 56.452 54.840 -0.140 0.000 0.744 2311 L CB -1.238 40.756 42.059 -0.108 0.000 0.895 2311 L HN -0.042 nan 8.230 nan 0.000 0.433 2312 A N -0.204 122.530 122.820 -0.145 0.000 1.883 2312 A HA -0.250 5.340 4.320 2.116 0.000 0.217 2312 A C 2.276 179.743 177.584 -0.195 0.000 1.186 2312 A CA 1.756 53.706 52.037 -0.145 0.000 0.624 2312 A CB -0.423 18.491 19.000 -0.144 0.000 0.822 2312 A HN 0.307 nan 8.150 nan 0.000 0.444 2313 M N -0.375 119.076 119.600 -0.249 0.000 2.108 2313 M HA -0.119 5.631 4.480 2.116 0.000 0.261 2313 M C 2.216 178.406 176.300 -0.184 0.000 1.066 2313 M CA 2.148 57.278 55.300 -0.284 0.000 1.107 2313 M CB -2.195 30.236 32.600 -0.281 0.000 1.356 2313 M HN 0.446 nan 8.290 nan 0.000 0.406 2314 T N 1.391 115.860 114.554 -0.141 0.000 2.684 2314 T HA -0.089 5.531 4.350 2.116 0.000 0.267 2314 T C 1.944 176.591 174.700 -0.089 0.000 1.036 2314 T CA 1.869 63.911 62.100 -0.096 0.000 1.148 2314 T CB -0.410 68.413 68.868 -0.075 0.000 0.863 2314 T HN 0.504 nan 8.240 nan 0.000 0.436 2315 A N 1.302 124.067 122.820 -0.092 0.000 1.902 2315 A HA 0.090 5.680 4.320 2.116 0.000 0.217 2315 A C 2.617 180.140 177.584 -0.102 0.000 1.181 2315 A CA 1.932 53.922 52.037 -0.078 0.000 0.623 2315 A CB -1.346 17.616 19.000 -0.064 0.000 0.818 2315 A HN 0.523 nan 8.150 nan 0.000 0.443 2316 G N -0.094 108.626 108.800 -0.133 0.000 2.402 2316 G HA2 -0.151 5.079 3.960 2.116 0.000 0.216 2316 G HA3 -0.151 5.079 3.960 2.116 0.000 0.216 2316 G C 1.536 176.346 174.900 -0.150 0.000 1.162 2316 G CA 1.059 46.062 45.100 -0.162 0.000 0.777 2316 G HN 0.468 nan 8.290 nan 0.000 0.539 2317 I N 0.236 120.734 120.570 -0.119 0.000 2.142 2317 I HA -0.142 5.297 4.170 2.116 0.000 0.240 2317 I C 2.706 178.785 176.117 -0.064 0.000 1.078 2317 I CA 1.415 62.669 61.300 -0.077 0.000 1.343 2317 I CB -0.104 37.860 38.000 -0.059 0.000 1.046 2317 I HN 0.068 nan 8.210 nan 0.000 0.405 2318 K N 0.734 121.091 120.400 -0.070 0.000 2.097 2318 K HA -0.134 5.455 4.320 2.116 0.000 0.206 2318 K C 2.011 178.550 176.600 -0.102 0.000 1.049 2318 K CA 1.782 58.026 56.287 -0.072 0.000 0.933 2318 K CB -0.524 31.937 32.500 -0.064 0.000 0.717 2318 K HN 0.211 nan 8.250 nan 0.000 0.442 2319 T N 0.950 115.435 114.554 -0.114 0.000 2.708 2319 T HA -0.113 5.507 4.350 2.116 0.000 0.266 2319 T C 1.523 176.167 174.700 -0.093 0.000 1.037 2319 T CA 1.324 63.346 62.100 -0.130 0.000 1.146 2319 T CB -0.220 68.567 68.868 -0.136 0.000 0.865 2319 T HN 0.022 nan 8.240 nan 0.000 0.435 2320 L N 1.195 122.362 121.223 -0.093 0.000 2.083 2320 L HA -0.033 5.577 4.340 2.116 0.000 0.209 2320 L C 2.460 179.409 176.870 0.131 0.000 1.083 2320 L CA 1.592 56.447 54.840 0.025 0.000 0.752 2320 L CB -0.729 41.307 42.059 -0.038 0.000 0.899 2320 L HN 0.342 nan 8.230 nan 0.000 0.433 2321 E N -0.715 119.507 120.200 0.037 0.000 2.077 2321 E HA -0.221 5.399 4.350 2.116 0.000 0.193 2321 E C 2.293 178.887 176.600 -0.008 0.000 0.989 2321 E CA 1.059 57.472 56.400 0.022 0.000 0.800 2321 E CB -0.238 29.458 29.700 -0.007 0.000 0.746 2321 E HN 0.449 nan 8.360 nan 0.000 0.452 2322 L N 0.643 121.833 121.223 -0.054 0.000 2.093 2322 L HA -0.171 5.439 4.340 2.116 0.000 0.208 2322 L C 2.432 179.274 176.870 -0.046 0.000 1.085 2322 L CA 0.772 55.554 54.840 -0.096 0.000 0.755 2322 L CB -0.285 41.635 42.059 -0.232 0.000 0.904 2322 L HN 0.166 nan 8.230 nan 0.000 0.435 2323 L N -0.695 120.544 121.223 0.027 0.000 2.201 2323 L HA -0.143 5.467 4.340 2.116 0.000 0.212 2323 L C 2.530 179.450 176.870 0.082 0.000 1.105 2323 L CA 0.901 55.801 54.840 0.099 0.000 0.775 2323 L CB -0.388 41.876 42.059 0.341 0.000 0.913 2323 L HN 0.205 nan 8.230 nan 0.000 0.440 2324 R N -0.510 119.990 120.500 -0.001 0.000 2.316 2324 R HA -0.024 5.586 4.340 2.116 0.000 0.202 2324 R C 0.431 176.682 176.300 -0.082 0.000 1.029 2324 R CA 0.063 56.062 56.100 -0.168 0.000 1.018 2324 R CB 0.036 30.226 30.300 -0.183 0.000 0.888 2324 R HN 0.336 nan 8.270 nan 0.000 0.471 2325 Q N 0.954 120.729 119.800 -0.042 0.000 2.421 2325 Q HA 0.128 5.737 4.340 2.116 0.000 0.255 2325 Q C -2.200 173.790 176.000 -0.018 0.000 1.013 2325 Q CA -1.994 53.789 55.803 -0.032 0.000 0.895 2325 Q CB -0.195 28.523 28.738 -0.034 0.000 1.271 2325 Q HN -0.035 nan 8.270 nan 0.000 0.460 2326 P HA 0.005 nan 4.420 nan 0.000 0.264 2326 P C 0.443 177.755 177.300 0.020 0.000 1.183 2326 P CA 0.960 64.066 63.100 0.010 0.000 0.763 2326 P CB 0.299 32.002 31.700 0.006 0.000 0.807 2327 G N 2.002 110.834 108.800 0.053 0.000 2.166 2327 G HA2 -0.332 4.897 3.960 2.116 0.000 0.260 2327 G HA3 -0.332 4.898 3.960 2.116 0.000 0.260 2327 G C 1.178 176.127 174.900 0.081 0.000 0.986 2327 G CA 0.836 45.983 45.100 0.078 0.000 0.683 2327 G HN 0.487 nan 8.290 nan 0.000 0.527 2328 T N -0.439 114.131 114.554 0.026 0.000 2.595 2328 T HA -0.160 5.460 4.350 2.116 0.000 0.264 2328 T C 1.943 176.561 174.700 -0.138 0.000 1.058 2328 T CA 2.103 64.143 62.100 -0.100 0.000 1.166 2328 T CB -0.275 68.443 68.868 -0.249 0.000 0.863 2328 T HN 0.504 nan 8.240 nan 0.000 0.415 2329 Y N 1.247 121.628 120.300 0.135 0.000 2.373 2329 Y HA -0.004 5.815 4.550 2.115 0.000 0.293 2329 Y C 2.533 178.504 175.900 0.118 0.000 1.129 2329 Y CA 0.611 58.791 58.100 0.132 0.000 1.226 2329 Y CB -0.248 38.286 38.460 0.123 0.000 1.000 2329 Y HN 0.214 nan 8.280 nan 0.000 0.549 2330 E N -0.781 119.550 120.200 0.219 0.000 2.072 2330 E HA -0.216 5.404 4.350 2.116 0.000 0.191 2330 E C 1.821 178.501 176.600 0.133 0.000 0.985 2330 E CA 1.246 57.742 56.400 0.160 0.000 0.801 2330 E CB -0.639 29.145 29.700 0.140 0.000 0.750 2330 E HN 0.547 nan 8.360 nan 0.000 0.452 2331 Y N 0.835 121.156 120.300 0.035 0.000 2.181 2331 Y HA -0.166 5.654 4.550 2.117 0.000 0.288 2331 Y C 1.816 177.726 175.900 0.018 0.000 1.146 2331 Y CA 1.429 59.539 58.100 0.017 0.000 1.164 2331 Y CB -0.202 38.257 38.460 -0.002 0.000 0.982 2331 Y HN -0.014 nan 8.280 nan 0.000 0.515 2332 L N -0.236 121.008 121.223 0.035 0.000 2.017 2332 L HA -0.236 5.373 4.340 2.116 0.000 0.208 2332 L C 2.220 179.060 176.870 -0.050 0.000 1.073 2332 L CA 1.864 56.691 54.840 -0.021 0.000 0.745 2332 L CB -0.640 41.459 42.059 0.068 0.000 0.894 2332 L HN 0.211 nan 8.230 nan 0.000 0.432 2333 D N -0.522 119.890 120.400 0.020 0.000 2.097 2333 D HA -0.249 5.660 4.640 2.116 0.000 0.195 2333 D C 2.175 178.442 176.300 -0.055 0.000 0.989 2333 D CA 1.310 55.322 54.000 0.020 0.000 0.827 2333 D CB 0.048 40.893 40.800 0.075 0.000 0.966 2333 D HN 0.258 nan 8.370 nan 0.000 0.456 2334 Q N 0.265 120.011 119.800 -0.091 0.000 1.985 2334 Q HA -0.197 5.413 4.340 2.116 0.000 0.207 2334 Q C 2.493 178.374 176.000 -0.198 0.000 0.996 2334 Q CA 2.520 58.245 55.803 -0.130 0.000 0.851 2334 Q CB -0.451 28.206 28.738 -0.135 0.000 0.921 2334 Q HN 0.588 nan 8.270 nan 0.000 0.418 2335 I N -1.678 118.687 120.570 -0.341 0.000 2.493 2335 I HA -0.131 5.309 4.170 2.116 0.000 0.254 2335 I C 1.685 177.665 176.117 -0.229 0.000 1.160 2335 I CA 1.589 62.706 61.300 -0.305 0.000 1.445 2335 I CB -0.538 37.213 38.000 -0.414 0.000 1.086 2335 I HN 0.092 nan 8.210 nan 0.000 0.433 2336 T N 0.987 115.419 114.554 -0.204 0.000 2.896 2336 T HA -0.099 5.521 4.350 2.116 0.000 0.263 2336 T C 1.848 176.419 174.700 -0.214 0.000 1.050 2336 T CA 1.437 63.409 62.100 -0.213 0.000 1.140 2336 T CB -0.132 68.669 68.868 -0.113 0.000 0.877 2336 T HN 0.412 nan 8.240 nan 0.000 0.457 2337 K N 1.195 121.512 120.400 -0.139 0.000 2.057 2337 K HA -0.135 5.455 4.320 2.116 0.000 0.207 2337 K C 2.491 179.011 176.600 -0.132 0.000 1.049 2337 K CA 1.206 57.431 56.287 -0.105 0.000 0.931 2337 K CB -0.047 32.420 32.500 -0.055 0.000 0.714 2337 K HN 0.035 nan 8.250 nan 0.000 0.440 2338 R N 1.284 121.700 120.500 -0.139 0.000 2.094 2338 R HA -0.125 5.485 4.340 2.116 0.000 0.239 2338 R C 2.270 178.458 176.300 -0.185 0.000 1.137 2338 R CA 1.668 57.687 56.100 -0.135 0.000 0.943 2338 R CB -0.796 29.430 30.300 -0.125 0.000 0.850 2338 R HN 0.353 nan 8.270 nan 0.000 0.433 2339 L N -0.273 120.791 121.223 -0.265 0.000 1.976 2339 L HA -0.194 5.416 4.340 2.116 0.000 0.209 2339 L C 2.324 178.939 176.870 -0.426 0.000 1.071 2339 L CA 2.248 56.852 54.840 -0.395 0.000 0.746 2339 L CB -0.781 40.925 42.059 -0.588 0.000 0.890 2339 L HN 0.466 nan 8.230 nan 0.000 0.432 2340 S N -0.259 115.197 115.700 -0.408 0.000 2.359 2340 S HA -0.239 5.501 4.470 2.116 0.000 0.223 2340 S C 1.566 176.074 174.600 -0.154 0.000 1.039 2340 S CA 1.944 59.974 58.200 -0.282 0.000 1.042 2340 S CB -0.294 62.804 63.200 -0.168 0.000 0.915 2340 S HN 0.504 nan 8.310 nan 0.000 0.439 2341 D N 0.606 120.936 120.400 -0.117 0.000 2.097 2341 D HA -0.026 5.883 4.640 2.116 0.000 0.195 2341 D C 2.153 178.406 176.300 -0.080 0.000 0.989 2341 D CA 1.320 55.280 54.000 -0.066 0.000 0.827 2341 D CB -1.192 39.576 40.800 -0.053 0.000 0.966 2341 D HN 0.533 nan 8.370 nan 0.000 0.456 2342 G N 0.876 109.602 108.800 -0.123 0.000 2.476 2342 G HA2 -0.247 4.982 3.960 2.116 0.000 0.218 2342 G HA3 -0.247 4.982 3.960 2.116 0.000 0.218 2342 G C 1.600 176.414 174.900 -0.142 0.000 1.164 2342 G CA 0.503 45.530 45.100 -0.122 0.000 0.768 2342 G HN 0.163 nan 8.290 nan 0.000 0.560 2343 L N 0.353 121.432 121.223 -0.240 0.000 2.012 2343 L HA 0.020 5.630 4.340 2.116 0.000 0.210 2343 L C 2.947 179.728 176.870 -0.150 0.000 1.073 2343 L CA 1.167 55.788 54.840 -0.365 0.000 0.748 2343 L CB -0.763 40.859 42.059 -0.728 0.000 0.891 2343 L HN 0.203 nan 8.230 nan 0.000 0.431 2344 L N -1.530 119.700 121.223 0.012 0.000 2.093 2344 L HA -0.192 5.418 4.340 2.116 0.000 0.208 2344 L C 2.610 179.530 176.870 0.082 0.000 1.085 2344 L CA 1.101 56.034 54.840 0.154 0.000 0.755 2344 L CB -0.768 41.361 42.059 0.117 0.000 0.904 2344 L HN 0.274 nan 8.230 nan 0.000 0.435 2345 A N 0.470 123.305 122.820 0.025 0.000 1.877 2345 A HA -0.185 5.405 4.320 2.116 0.000 0.216 2345 A C 2.209 179.812 177.584 0.032 0.000 1.186 2345 A CA 1.552 53.601 52.037 0.019 0.000 0.620 2345 A CB -0.689 18.308 19.000 -0.005 0.000 0.822 2345 A HN 0.344 nan 8.150 nan 0.000 0.443 2346 I N -0.194 120.388 120.570 0.019 0.000 2.264 2346 I HA -0.302 5.138 4.170 2.116 0.000 0.248 2346 I C 2.935 179.117 176.117 0.107 0.000 1.111 2346 I CA 1.032 62.356 61.300 0.040 0.000 1.382 2346 I CB -0.337 37.665 38.000 0.004 0.000 1.060 2346 I HN 0.378 nan 8.210 nan 0.000 0.418 2347 A N 0.089 122.997 122.820 0.147 0.000 1.873 2347 A HA -0.276 5.314 4.320 2.116 0.000 0.215 2347 A C 2.240 179.930 177.584 0.177 0.000 1.186 2347 A CA 1.820 54.007 52.037 0.251 0.000 0.616 2347 A CB -0.609 18.579 19.000 0.313 0.000 0.823 2347 A HN 0.382 nan 8.150 nan 0.000 0.442 2348 Q N -0.160 119.706 119.800 0.109 0.000 2.002 2348 Q HA -0.218 5.392 4.340 2.116 0.000 0.204 2348 Q C 2.040 178.066 176.000 0.043 0.000 0.988 2348 Q CA 2.306 58.147 55.803 0.063 0.000 0.843 2348 Q CB -0.343 28.421 28.738 0.043 0.000 0.908 2348 Q HN 0.757 nan 8.270 nan 0.000 0.420 2349 E N -1.119 119.107 120.200 0.044 0.000 2.097 2349 E HA -0.201 5.418 4.350 2.116 0.000 0.196 2349 E C 1.291 177.906 176.600 0.025 0.000 1.000 2349 E CA 1.788 58.205 56.400 0.029 0.000 0.804 2349 E CB -0.102 29.616 29.700 0.030 0.000 0.740 2349 E HN 0.598 nan 8.360 nan 0.000 0.454 2350 T N -3.229 111.360 114.554 0.058 0.000 3.129 2350 T HA 0.252 5.871 4.350 2.116 0.000 0.251 2350 T C 1.281 175.891 174.700 -0.150 0.000 1.117 2350 T CA 0.423 62.544 62.100 0.036 0.000 1.034 2350 T CB 0.433 69.426 68.868 0.208 0.000 0.968 2350 T HN 0.350 nan 8.240 nan 0.000 0.526 2351 G N 1.149 109.882 108.800 -0.111 0.000 2.147 2351 G HA2 -0.215 5.015 3.960 2.116 0.000 0.244 2351 G HA3 -0.215 5.015 3.960 2.116 0.000 0.244 2351 G C -0.313 174.424 174.900 -0.271 0.000 1.005 2351 G CA -0.066 44.923 45.100 -0.186 0.000 0.713 2351 G HN 0.769 nan 8.290 nan 0.000 0.515 2352 H N 0.151 119.265 119.070 0.073 0.000 2.459 2352 H HA 0.652 6.486 4.556 2.131 0.000 0.332 2352 H C 0.684 176.072 175.328 0.100 0.000 1.094 2352 H CA 0.032 56.142 56.048 0.103 0.000 1.224 2352 H CB 1.654 31.533 29.762 0.195 0.000 1.449 2352 H HN 0.553 nan 8.280 nan 0.000 0.484 2353 A N 2.734 125.667 122.820 0.187 0.000 2.492 2353 A HA 0.566 6.156 4.320 2.116 0.000 0.254 2353 A C -0.049 177.580 177.584 0.075 0.000 1.091 2353 A CA 0.496 52.592 52.037 0.098 0.000 0.768 2353 A CB -0.398 18.642 19.000 0.065 0.000 1.028 2353 A HN 0.824 nan 8.150 nan 0.000 0.498 2354 A N 1.242 124.042 122.820 -0.034 0.000 2.608 2354 A HA 0.732 6.322 4.320 2.116 0.000 0.292 2354 A C -0.459 177.014 177.584 -0.185 0.000 1.066 2354 A CA 0.022 51.912 52.037 -0.246 0.000 0.676 2354 A CB 0.646 19.374 19.000 -0.454 0.000 1.277 2354 A HN 2.555 nan 8.150 nan 0.000 0.413 2355 C N -0.889 118.261 119.300 -0.250 0.000 3.288 2355 C HA 1.082 6.811 4.460 2.116 0.000 0.318 2355 C C 0.254 175.260 174.990 0.027 0.000 1.356 2355 C CA 0.167 59.142 59.018 -0.072 0.000 1.359 2355 C CB 1.170 28.879 27.740 -0.053 0.000 1.688 2355 C HN 2.780 nan 8.230 nan 0.000 0.467 2356 G N -0.568 108.320 108.800 0.146 0.000 2.325 2356 G HA2 0.900 6.130 3.960 2.116 0.000 0.295 2356 G HA3 0.900 6.130 3.960 2.116 0.000 0.295 2356 G C -0.610 174.438 174.900 0.246 0.000 1.274 2356 G CA 0.245 45.510 45.100 0.275 0.000 0.857 2356 G HN 2.663 nan 8.290 nan 0.000 0.499 2357 G N -1.471 107.490 108.800 0.267 0.000 2.349 2357 G HA2 0.790 6.020 3.960 2.116 0.000 0.294 2357 G HA3 0.790 6.020 3.960 2.116 0.000 0.294 2357 G C -1.645 173.284 174.900 0.049 0.000 1.380 2357 G CA 0.677 45.914 45.100 0.229 0.000 0.811 2357 G HN 1.757 nan 8.290 nan 0.000 0.519 2358 Q N -1.816 118.013 119.800 0.048 0.000 2.472 2358 Q HA 0.746 6.356 4.340 2.116 0.000 0.281 2358 Q C -1.706 174.351 176.000 0.095 0.000 0.997 2358 Q CA -1.019 54.673 55.803 -0.184 0.000 0.828 2358 Q CB 2.274 30.944 28.738 -0.114 0.000 1.443 2358 Q HN 1.045 nan 8.270 nan 0.000 0.390 2359 V N 1.632 121.618 119.914 0.120 0.000 2.532 2359 V HA 0.681 6.071 4.120 2.116 0.000 0.294 2359 V C 0.077 176.276 176.094 0.174 0.000 1.036 2359 V CA 0.286 62.734 62.300 0.247 0.000 0.876 2359 V CB 0.895 32.964 31.823 0.410 0.000 1.012 2359 V HN 1.092 nan 8.190 nan 0.000 0.432 2360 S N 4.168 119.960 115.700 0.154 0.000 3.330 2360 S HA -0.186 5.554 4.470 2.116 0.000 0.630 2360 S C 1.286 175.966 174.600 0.133 0.000 2.776 2360 S CA 1.324 59.629 58.200 0.174 0.000 3.494 2360 S CB -1.139 62.212 63.200 0.252 0.000 0.291 2360 S HN 2.157 nan 8.310 nan 0.000 1.451 2361 G N 0.939 109.844 108.800 0.175 0.000 3.375 2361 G HA2 0.414 5.643 3.960 2.116 0.000 0.247 2361 G HA3 0.414 5.643 3.960 2.116 0.000 0.247 2361 G C -0.064 174.965 174.900 0.215 0.000 1.343 2361 G CA 0.596 45.792 45.100 0.161 0.000 1.368 2361 G HN 0.675 nan 8.290 nan 0.000 0.549 2362 M N 0.824 120.494 119.600 0.117 0.000 2.267 2362 M HA 0.653 6.403 4.480 2.116 0.000 0.289 2362 M C -1.518 174.505 176.300 -0.461 0.000 1.043 2362 M CA -1.144 54.126 55.300 -0.051 0.000 0.928 2362 M CB 1.775 34.466 32.600 0.153 0.000 1.613 2362 M HN 0.136 nan 8.290 nan 0.000 0.450 2363 F N 2.085 121.578 119.950 -0.762 0.000 2.664 2363 F HA 1.043 6.838 4.527 2.113 0.000 0.317 2363 F C -0.776 174.565 175.800 -0.765 0.000 1.108 2363 F CA -0.775 56.653 58.000 -0.954 0.000 0.957 2363 F CB 1.438 40.133 39.000 -0.509 0.000 1.365 2363 F HN 0.546 nan 8.300 nan 0.000 0.475 2364 G N 0.418 108.989 108.800 -0.381 0.000 2.659 2364 G HA2 0.624 5.853 3.960 2.116 0.000 0.296 2364 G HA3 0.624 5.853 3.960 2.116 0.000 0.296 2364 G C -2.752 172.165 174.900 0.028 0.000 1.369 2364 G CA -0.830 44.140 45.100 -0.217 0.000 0.937 2364 G HN 0.870 nan 8.290 nan 0.000 0.485 2365 F N 1.406 121.112 119.950 -0.407 0.000 2.653 2365 F HA 0.725 6.506 4.527 2.091 0.000 0.327 2365 F C -1.844 173.628 175.800 -0.546 0.000 1.195 2365 F CA -1.581 56.230 58.000 -0.314 0.000 0.993 2365 F CB 1.309 40.177 39.000 -0.219 0.000 1.259 2365 F HN 0.333 nan 8.300 nan 0.000 0.478 2366 F N 5.431 124.949 119.950 -0.720 0.000 2.480 2366 F HA 0.454 6.255 4.527 2.123 0.000 0.329 2366 F C -0.413 174.896 175.800 -0.820 0.000 1.091 2366 F CA -0.790 56.842 58.000 -0.613 0.000 0.972 2366 F CB 1.368 40.165 39.000 -0.338 0.000 1.150 2366 F HN 0.292 nan 8.300 nan 0.000 0.467 2367 F N 1.771 121.595 119.950 -0.211 0.000 2.606 2367 F HA 0.363 6.121 4.527 2.052 0.000 0.347 2367 F C 0.430 176.167 175.800 -0.105 0.000 1.207 2367 F CA -0.019 57.857 58.000 -0.207 0.000 1.306 2367 F CB 0.264 39.199 39.000 -0.108 0.000 1.657 2367 F HN 0.389 nan 8.300 nan 0.000 0.606 2368 T N -0.166 114.392 114.554 0.007 0.000 3.047 2368 T HA 0.102 5.722 4.350 2.116 0.000 0.340 2368 T C 0.728 175.396 174.700 -0.054 0.000 1.421 2368 T CA -0.630 61.465 62.100 -0.009 0.000 1.090 2368 T CB 1.037 69.880 68.868 -0.041 0.000 1.292 2368 T HN 0.585 nan 8.240 nan 0.000 0.480 2369 E N 2.317 122.496 120.200 -0.034 0.000 2.265 2369 E HA 0.238 5.858 4.350 2.116 0.000 0.196 2369 E C 1.428 177.995 176.600 -0.056 0.000 0.996 2369 E CA 0.632 57.010 56.400 -0.037 0.000 0.832 2369 E CB -0.473 29.216 29.700 -0.019 0.000 0.756 2369 E HN 1.138 nan 8.360 nan 0.000 0.491 2370 G N 2.568 111.320 108.800 -0.079 0.000 2.582 2370 G HA2 -0.309 4.921 3.960 2.116 0.000 0.288 2370 G HA3 -0.309 4.921 3.960 2.116 0.000 0.288 2370 G C -1.852 173.023 174.900 -0.042 0.000 1.247 2370 G CA 0.339 45.380 45.100 -0.097 0.000 0.972 2370 G HN 0.418 nan 8.290 nan 0.000 0.557 2371 P HA 0.492 nan 4.420 nan 0.000 0.274 2371 P C -0.399 176.879 177.300 -0.037 0.000 1.246 2371 P CA -0.298 62.788 63.100 -0.023 0.000 0.795 2371 P CB 1.042 32.772 31.700 0.050 0.000 1.006 2372 V N 2.364 122.152 119.914 -0.210 0.000 2.350 2372 V HA 0.122 5.512 4.120 2.116 0.000 0.276 2372 V C 0.708 176.670 176.094 -0.219 0.000 1.028 2372 V CA 0.029 62.152 62.300 -0.294 0.000 0.860 2372 V CB 0.227 31.589 31.823 -0.769 0.000 0.990 2372 V HN 0.618 nan 8.190 nan 0.000 0.453 2373 H N 2.614 121.588 119.070 -0.160 0.000 2.885 2373 H HA 0.295 6.121 4.556 2.116 0.000 0.260 2373 H C 0.737 176.033 175.328 -0.052 0.000 0.985 2373 H CA 0.236 56.222 56.048 -0.105 0.000 1.210 2373 H CB 0.521 30.217 29.762 -0.110 0.000 1.466 2373 H HN 0.789 nan 8.280 nan 0.000 0.493 2374 N N -2.007 116.726 118.700 0.055 0.000 3.106 2374 N HA -0.075 5.935 4.740 2.116 0.000 0.253 2374 N C 0.006 175.563 175.510 0.079 0.000 1.506 2374 N CA -0.611 52.493 53.050 0.089 0.000 0.876 2374 N CB 1.047 39.595 38.487 0.102 0.000 1.452 2374 N HN -0.105 nan 8.380 nan 0.000 0.542 2375 Y N 0.472 120.765 120.300 -0.011 0.000 2.207 2375 Y HA -0.130 5.684 4.550 2.108 0.000 0.287 2375 Y C 2.338 178.223 175.900 -0.025 0.000 1.156 2375 Y CA 2.154 60.239 58.100 -0.025 0.000 1.182 2375 Y CB -0.214 38.221 38.460 -0.040 0.000 0.979 2375 Y HN 0.770 nan 8.280 nan 0.000 0.521 2376 E N -0.380 119.760 120.200 -0.101 0.000 2.077 2376 E HA -0.221 5.399 4.350 2.116 0.000 0.193 2376 E C 1.676 178.175 176.600 -0.169 0.000 0.989 2376 E CA 1.457 57.743 56.400 -0.190 0.000 0.800 2376 E CB -0.045 29.608 29.700 -0.078 0.000 0.746 2376 E HN 0.515 nan 8.360 nan 0.000 0.452 2377 D N 0.169 120.498 120.400 -0.118 0.000 2.097 2377 D HA -0.154 5.755 4.640 2.116 0.000 0.195 2377 D C 1.846 178.039 176.300 -0.180 0.000 0.989 2377 D CA 1.326 55.244 54.000 -0.136 0.000 0.827 2377 D CB -0.444 40.280 40.800 -0.127 0.000 0.966 2377 D HN 0.246 nan 8.370 nan 0.000 0.456 2378 A N 1.337 124.052 122.820 -0.175 0.000 1.948 2378 A HA -0.234 5.356 4.320 2.116 0.000 0.220 2378 A C 1.966 179.631 177.584 0.136 0.000 1.177 2378 A CA 1.514 53.511 52.037 -0.066 0.000 0.636 2378 A CB -0.485 18.668 19.000 0.255 0.000 0.815 2378 A HN 0.175 nan 8.150 nan 0.000 0.449 2379 K N -0.282 120.101 120.400 -0.027 0.000 2.442 2379 K HA -0.068 5.522 4.320 2.116 0.000 0.198 2379 K C 1.425 178.033 176.600 0.012 0.000 1.042 2379 K CA 1.005 57.286 56.287 -0.009 0.000 0.958 2379 K CB -0.087 32.216 32.500 -0.328 0.000 0.766 2379 K HN 0.465 nan 8.250 nan 0.000 0.474 2380 K N 0.840 121.221 120.400 -0.031 0.000 2.486 2380 K HA 0.048 5.638 4.320 2.116 0.000 0.194 2380 K C 0.410 177.013 176.600 0.005 0.000 1.033 2380 K CA 0.033 56.305 56.287 -0.026 0.000 1.004 2380 K CB 0.225 32.693 32.500 -0.054 0.000 0.798 2380 K HN -0.041 nan 8.250 nan 0.000 0.495 2381 S N 1.899 117.614 115.700 0.026 0.000 2.563 2381 S HA -0.075 5.665 4.470 2.116 0.000 0.284 2381 S C 0.068 174.706 174.600 0.063 0.000 1.331 2381 S CA -0.173 58.057 58.200 0.050 0.000 1.047 2381 S CB 0.507 63.729 63.200 0.036 0.000 0.859 2381 S HN 0.169 nan 8.310 nan 0.000 0.514 2382 D N 2.273 122.733 120.400 0.100 0.000 2.435 2382 D HA 0.107 6.017 4.640 2.116 0.000 0.230 2382 D C 0.717 177.075 176.300 0.096 0.000 1.215 2382 D CA -0.411 53.632 54.000 0.071 0.000 0.947 2382 D CB 0.069 40.889 40.800 0.033 0.000 1.048 2382 D HN 0.183 nan 8.370 nan 0.000 0.512 2383 L N 3.213 124.486 121.223 0.083 0.000 2.191 2383 L HA -0.134 5.476 4.340 2.116 0.000 0.212 2383 L C 2.245 179.195 176.870 0.133 0.000 1.103 2383 L CA 1.238 56.145 54.840 0.112 0.000 0.769 2383 L CB -1.102 41.011 42.059 0.090 0.000 0.908 2383 L HN 0.450 nan 8.230 nan 0.000 0.438 2384 Q N 0.194 120.034 119.800 0.068 0.000 2.020 2384 Q HA -0.229 5.381 4.340 2.116 0.000 0.202 2384 Q C 2.362 178.360 176.000 -0.004 0.000 0.982 2384 Q CA 1.927 57.751 55.803 0.036 0.000 0.838 2384 Q CB -0.131 28.614 28.738 0.012 0.000 0.899 2384 Q HN 0.390 nan 8.270 nan 0.000 0.423 2385 K N -0.990 119.361 120.400 -0.083 0.000 2.026 2385 K HA -0.174 5.416 4.320 2.116 0.000 0.208 2385 K C 1.991 178.445 176.600 -0.244 0.000 1.048 2385 K CA 1.336 57.451 56.287 -0.287 0.000 0.929 2385 K CB -0.427 31.724 32.500 -0.582 0.000 0.713 2385 K HN 0.280 nan 8.250 nan 0.000 0.439 2386 F N 1.356 121.237 119.950 -0.114 0.000 2.091 2386 F HA -0.270 4.215 4.527 -0.071 0.000 0.299 2386 F C 2.543 178.466 175.800 0.204 0.000 1.103 2386 F CA 2.002 60.148 58.000 0.243 0.000 1.228 2386 F CB -0.803 38.334 39.000 0.229 0.000 0.984 2386 F HN 0.062 nan 8.300 nan 0.000 0.477 2387 S N 0.148 115.933 115.700 0.142 0.000 2.365 2387 S HA -0.238 5.502 4.470 2.116 0.000 0.225 2387 S C 2.250 176.834 174.600 -0.026 0.000 1.039 2387 S CA 1.675 59.897 58.200 0.037 0.000 1.033 2387 S CB -0.336 62.911 63.200 0.079 0.000 0.887 2387 S HN 0.483 nan 8.310 nan 0.000 0.447 2388 R N -0.830 119.656 120.500 -0.024 0.000 2.092 2388 R HA -0.032 5.578 4.340 2.116 0.000 0.231 2388 R C 2.141 178.417 176.300 -0.040 0.000 1.119 2388 R CA 1.487 57.568 56.100 -0.032 0.000 0.970 2388 R CB -0.602 29.671 30.300 -0.045 0.000 0.864 2388 R HN 0.545 nan 8.270 nan 0.000 0.440 2389 F N 1.579 121.403 119.950 -0.210 0.000 2.102 2389 F HA -0.258 5.500 4.527 2.051 0.000 0.298 2389 F C 2.537 178.200 175.800 -0.228 0.000 1.105 2389 F CA 1.768 59.661 58.000 -0.178 0.000 1.239 2389 F CB -0.602 38.387 39.000 -0.018 0.000 0.991 2389 F HN 0.080 nan 8.300 nan 0.000 0.474 2390 H N 0.347 119.076 119.070 -0.569 0.000 2.319 2390 H HA -0.192 5.658 4.556 2.157 0.000 0.299 2390 H C 2.427 177.505 175.328 -0.417 0.000 1.092 2390 H CA 2.095 57.745 56.048 -0.663 0.000 1.302 2390 H CB -0.235 29.115 29.762 -0.686 0.000 1.373 2390 H HN 0.181 nan 8.280 nan 0.000 0.497 2391 R N 0.563 121.001 120.500 -0.103 0.000 2.081 2391 R HA -0.052 5.558 4.340 2.116 0.000 0.235 2391 R C 2.743 178.917 176.300 -0.209 0.000 1.131 2391 R CA 1.663 57.731 56.100 -0.052 0.000 0.960 2391 R CB -1.203 29.117 30.300 0.033 0.000 0.856 2391 R HN 0.426 nan 8.270 nan 0.000 0.436 2392 G N 0.053 108.712 108.800 -0.236 0.000 2.418 2392 G HA2 -0.230 5.000 3.960 2.116 0.000 0.217 2392 G HA3 -0.230 5.000 3.960 2.116 0.000 0.217 2392 G C 1.305 176.002 174.900 -0.340 0.000 1.158 2392 G CA 0.959 45.912 45.100 -0.245 0.000 0.771 2392 G HN 0.208 nan 8.290 nan 0.000 0.545 2393 M N -0.258 119.042 119.600 -0.499 0.000 2.175 2393 M HA 0.090 5.840 4.480 2.116 0.000 0.264 2393 M C 2.485 178.573 176.300 -0.353 0.000 1.063 2393 M CA 0.668 55.674 55.300 -0.489 0.000 1.119 2393 M CB -1.034 31.121 32.600 -0.743 0.000 1.377 2393 M HN 0.240 nan 8.290 nan 0.000 0.415 2394 L N 0.946 121.938 121.223 -0.384 0.000 2.012 2394 L HA -0.178 5.432 4.340 2.116 0.000 0.210 2394 L C 2.090 178.708 176.870 -0.420 0.000 1.073 2394 L CA 1.938 56.659 54.840 -0.198 0.000 0.748 2394 L CB -0.652 41.330 42.059 -0.128 0.000 0.891 2394 L HN 0.329 nan 8.230 nan 0.000 0.431 2395 E N -1.456 118.314 120.200 -0.716 0.000 2.268 2395 E HA -0.238 5.382 4.350 2.116 0.000 0.195 2395 E C 1.702 178.015 176.600 -0.479 0.000 0.995 2395 E CA 0.612 56.425 56.400 -0.978 0.000 0.836 2395 E CB 0.022 29.350 29.700 -0.620 0.000 0.763 2395 E HN 0.405 nan 8.360 nan 0.000 0.491 2396 Q N -0.635 118.974 119.800 -0.319 0.000 2.320 2396 Q HA 0.112 5.722 4.340 2.116 0.000 0.201 2396 Q C 0.612 176.514 176.000 -0.164 0.000 0.910 2396 Q CA 0.579 56.261 55.803 -0.201 0.000 0.946 2396 Q CB 0.772 29.409 28.738 -0.168 0.000 1.062 2396 Q HN 0.299 nan 8.270 nan 0.000 0.503 2397 G N 0.132 108.826 108.800 -0.176 0.000 2.132 2397 G HA2 -0.183 5.046 3.960 2.116 0.000 0.228 2397 G HA3 -0.183 5.046 3.960 2.116 0.000 0.228 2397 G C -0.226 174.714 174.900 0.067 0.000 1.000 2397 G CA 0.092 45.097 45.100 -0.159 0.000 0.693 2397 G HN 0.229 nan 8.290 nan 0.000 0.515 2398 I N 0.229 120.873 120.570 0.124 0.000 2.406 2398 I HA 0.403 5.843 4.170 2.116 0.000 0.290 2398 I C -0.406 175.822 176.117 0.185 0.000 0.999 2398 I CA -1.774 59.628 61.300 0.170 0.000 1.124 2398 I CB 1.381 39.401 38.000 0.033 0.000 1.289 2398 I HN 0.129 nan 8.210 nan 0.000 0.441 2399 Y N 7.208 127.587 120.300 0.133 0.000 2.385 2399 Y HA 0.571 6.411 4.550 2.149 0.000 0.341 2399 Y C -0.801 175.156 175.900 0.096 0.000 0.965 2399 Y CA -0.308 57.799 58.100 0.011 0.000 1.180 2399 Y CB 0.912 39.352 38.460 -0.034 0.000 1.139 2399 Y HN 0.418 nan 8.280 nan 0.000 0.502 2400 L N 4.735 125.707 121.223 -0.419 0.000 2.322 2400 L HA 0.733 6.343 4.340 2.116 0.000 0.269 2400 L C 0.106 176.849 176.870 -0.211 0.000 1.012 2400 L CA -1.625 53.105 54.840 -0.183 0.000 0.815 2400 L CB 1.552 43.528 42.059 -0.137 0.000 1.295 2400 L HN 0.681 nan 8.230 nan 0.000 0.438 2401 A N 2.531 125.308 122.820 -0.070 0.000 2.566 2401 A HA 0.160 5.750 4.320 2.116 0.000 0.245 2401 A C -1.916 175.697 177.584 0.049 0.000 1.056 2401 A CA -0.588 51.437 52.037 -0.019 0.000 0.757 2401 A CB -0.607 18.433 19.000 0.066 0.000 0.979 2401 A HN 0.485 nan 8.150 nan 0.000 0.508 2402 P HA 0.105 nan 4.420 nan 0.000 0.228 2402 P C -0.361 176.762 177.300 -0.295 0.000 1.748 2402 P CA 0.502 63.116 63.100 -0.810 0.000 0.909 2402 P CB -0.237 30.598 31.700 -1.442 0.000 1.882 2403 S N 0.361 116.071 115.700 0.015 0.000 2.579 2403 S HA 0.148 5.888 4.470 2.116 0.000 0.290 2403 S C 0.623 174.889 174.600 -0.556 0.000 1.123 2403 S CA -0.427 57.706 58.200 -0.113 0.000 0.894 2403 S CB 1.498 64.677 63.200 -0.034 0.000 1.095 2403 S HN -0.014 nan 8.310 nan 0.000 0.450 2404 Q N 2.917 121.975 119.800 -1.237 0.000 2.291 2404 Q HA 0.208 5.818 4.340 2.116 0.000 0.205 2404 Q C 0.209 175.534 176.000 -1.125 0.000 0.970 2404 Q CA 1.842 56.603 55.803 -1.736 0.000 0.876 2404 Q CB -0.252 27.459 28.738 -1.712 0.000 0.935 2404 Q HN 0.767 nan 8.270 nan 0.000 0.455 2405 F N 0.649 120.420 119.950 -0.298 0.000 2.660 2405 F HA 0.356 6.191 4.527 2.181 0.000 0.297 2405 F C 0.027 175.759 175.800 -0.113 0.000 1.132 2405 F CA -0.348 57.575 58.000 -0.128 0.000 1.372 2405 F CB 0.461 39.446 39.000 -0.024 0.000 1.003 2405 F HN -0.140 nan 8.300 nan 0.000 0.524 2406 E N 0.974 121.137 120.200 -0.062 0.000 2.234 2406 E HA 0.562 6.182 4.350 2.116 0.000 0.266 2406 E C -0.356 176.153 176.600 -0.152 0.000 0.877 2406 E CA -0.598 55.816 56.400 0.022 0.000 0.758 2406 E CB 2.138 31.984 29.700 0.245 0.000 1.170 2406 E HN 0.087 nan 8.360 nan 0.000 0.415 2407 A N 1.976 124.676 122.820 -0.200 0.000 2.386 2407 A HA 0.609 6.199 4.320 2.116 0.000 0.246 2407 A C 0.622 177.631 177.584 -0.958 0.000 1.089 2407 A CA 0.377 52.112 52.037 -0.503 0.000 0.790 2407 A CB 0.341 19.145 19.000 -0.328 0.000 1.042 2407 A HN 0.524 nan 8.150 nan 0.000 0.497 2408 G N -1.075 106.864 108.800 -1.436 0.000 2.461 2408 G HA2 0.622 5.852 3.960 2.116 0.000 0.329 2408 G HA3 0.622 5.852 3.960 2.116 0.000 0.329 2408 G C -0.929 173.120 174.900 -1.419 0.000 1.170 2408 G CA -0.543 43.622 45.100 -1.559 0.000 0.935 2408 G HN 0.474 nan 8.290 nan 0.000 0.492 2409 F N -0.922 118.971 119.950 -0.096 0.000 2.577 2409 F HA 0.592 6.392 4.527 2.123 0.000 0.318 2409 F C 0.518 176.421 175.800 0.173 0.000 1.065 2409 F CA -0.754 57.287 58.000 0.069 0.000 0.929 2409 F CB 2.873 41.888 39.000 0.024 0.000 1.237 2409 F HN 0.331 nan 8.300 nan 0.000 0.468 2410 T N 0.776 115.485 114.554 0.259 0.000 2.932 2410 T HA 0.664 6.284 4.350 2.116 0.000 0.289 2410 T C -0.744 173.943 174.700 -0.022 0.000 1.039 2410 T CA -0.711 61.335 62.100 -0.090 0.000 1.024 2410 T CB 1.753 70.593 68.868 -0.046 0.000 1.090 2410 T HN 0.725 nan 8.240 nan 0.000 0.496 2411 S N 0.886 116.578 115.700 -0.014 0.000 2.627 2411 S HA 0.514 6.254 4.470 2.116 0.000 0.283 2411 S C 0.818 175.558 174.600 0.232 0.000 1.127 2411 S CA -0.936 57.361 58.200 0.160 0.000 0.863 2411 S CB 0.758 64.059 63.200 0.169 0.000 1.121 2411 S HN 0.547 nan 8.310 nan 0.000 0.479 2412 L N 0.784 122.100 121.223 0.156 0.000 2.456 2412 L HA 0.052 5.662 4.340 2.116 0.000 0.224 2412 L C 2.604 179.537 176.870 0.105 0.000 1.148 2412 L CA 1.252 56.185 54.840 0.154 0.000 0.825 2412 L CB -0.769 41.305 42.059 0.025 0.000 0.937 2412 L HN 0.916 nan 8.230 nan 0.000 0.450 2413 A N -1.713 121.156 122.820 0.082 0.000 2.081 2413 A HA -0.027 5.563 4.320 2.116 0.000 0.214 2413 A C 0.480 178.026 177.584 -0.064 0.000 1.158 2413 A CA 0.077 52.090 52.037 -0.040 0.000 0.724 2413 A CB -0.459 18.454 19.000 -0.144 0.000 0.826 2413 A HN 0.316 nan 8.150 nan 0.000 0.463 2414 H N 1.268 120.317 119.070 -0.035 0.000 2.929 2414 H HA 0.316 6.141 4.556 2.115 0.000 0.317 2414 H C 0.975 176.374 175.328 0.119 0.000 1.031 2414 H CA 1.134 57.160 56.048 -0.037 0.000 1.466 2414 H CB 0.590 30.335 29.762 -0.028 0.000 1.482 2414 H HN 0.384 nan 8.280 nan 0.000 0.561 2415 T N -0.438 114.217 114.554 0.167 0.000 2.936 2415 T HA 0.177 5.797 4.350 2.116 0.000 0.282 2415 T C 1.287 176.084 174.700 0.161 0.000 1.003 2415 T CA -0.951 61.269 62.100 0.200 0.000 1.005 2415 T CB 1.506 70.448 68.868 0.125 0.000 1.097 2415 T HN 0.540 nan 8.240 nan 0.000 0.532 2416 E N 0.295 120.579 120.200 0.141 0.000 2.118 2416 E HA -0.121 5.499 4.350 2.116 0.000 0.195 2416 E C 1.899 178.538 176.600 0.064 0.000 0.992 2416 E CA 1.494 57.939 56.400 0.075 0.000 0.804 2416 E CB -0.250 29.490 29.700 0.066 0.000 0.741 2416 E HN 0.800 nan 8.360 nan 0.000 0.458 2417 E N 0.392 120.637 120.200 0.075 0.000 2.110 2417 E HA -0.164 5.456 4.350 2.116 0.000 0.193 2417 E C 1.615 178.263 176.600 0.080 0.000 0.988 2417 E CA 1.330 57.768 56.400 0.064 0.000 0.804 2417 E CB -0.109 29.628 29.700 0.062 0.000 0.745 2417 E HN 0.284 nan 8.360 nan 0.000 0.458 2418 D N 0.254 120.722 120.400 0.114 0.000 2.117 2418 D HA -0.132 5.778 4.640 2.116 0.000 0.197 2418 D C 1.838 178.238 176.300 0.166 0.000 0.987 2418 D CA 0.777 54.867 54.000 0.149 0.000 0.829 2418 D CB -0.057 40.825 40.800 0.136 0.000 0.961 2418 D HN 0.131 nan 8.370 nan 0.000 0.460 2419 I N 1.691 122.341 120.570 0.134 0.000 2.179 2419 I HA -0.201 5.238 4.170 2.116 0.000 0.242 2419 I C 1.868 177.995 176.117 0.015 0.000 1.088 2419 I CA 1.219 62.563 61.300 0.073 0.000 1.357 2419 I CB -1.028 36.972 38.000 -0.000 0.000 1.051 2419 I HN -0.048 nan 8.210 nan 0.000 0.409 2420 D N 1.174 121.583 120.400 0.015 0.000 2.117 2420 D HA -0.125 5.785 4.640 2.116 0.000 0.197 2420 D C 2.259 178.558 176.300 -0.001 0.000 0.987 2420 D CA 1.632 55.630 54.000 -0.004 0.000 0.829 2420 D CB -0.045 40.756 40.800 0.002 0.000 0.961 2420 D HN 0.312 nan 8.370 nan 0.000 0.460 2421 A N 0.399 123.232 122.820 0.021 0.000 1.972 2421 A HA -0.159 5.431 4.320 2.116 0.000 0.219 2421 A C 2.357 179.947 177.584 0.010 0.000 1.169 2421 A CA 1.988 54.034 52.037 0.015 0.000 0.635 2421 A CB -0.748 18.270 19.000 0.030 0.000 0.810 2421 A HN 0.216 nan 8.150 nan 0.000 0.446 2422 T N 0.279 114.852 114.554 0.032 0.000 2.812 2422 T HA -0.003 5.617 4.350 2.116 0.000 0.264 2422 T C 1.784 176.438 174.700 -0.077 0.000 1.042 2422 T CA 1.287 63.388 62.100 0.000 0.000 1.140 2422 T CB -0.298 68.584 68.868 0.025 0.000 0.870 2422 T HN 0.372 nan 8.240 nan 0.000 0.445 2423 L N 0.768 121.942 121.223 -0.081 0.000 2.093 2423 L HA -0.006 5.604 4.340 2.116 0.000 0.208 2423 L C 3.063 179.899 176.870 -0.056 0.000 1.085 2423 L CA 0.996 55.781 54.840 -0.093 0.000 0.755 2423 L CB -0.683 41.321 42.059 -0.090 0.000 0.904 2423 L HN 0.237 nan 8.230 nan 0.000 0.435 2424 A N 0.302 123.098 122.820 -0.040 0.000 1.877 2424 A HA -0.195 5.395 4.320 2.116 0.000 0.216 2424 A C 2.558 180.122 177.584 -0.033 0.000 1.186 2424 A CA 1.836 53.856 52.037 -0.029 0.000 0.620 2424 A CB -0.740 18.245 19.000 -0.024 0.000 0.822 2424 A HN 0.389 nan 8.150 nan 0.000 0.443 2425 A N -0.137 122.656 122.820 -0.044 0.000 1.877 2425 A HA 0.124 5.714 4.320 2.116 0.000 0.216 2425 A C 2.537 180.090 177.584 -0.052 0.000 1.186 2425 A CA 2.303 54.304 52.037 -0.061 0.000 0.620 2425 A CB -1.127 17.825 19.000 -0.081 0.000 0.822 2425 A HN 1.126 nan 8.150 nan 0.000 0.443 2426 A N -0.429 122.365 122.820 -0.043 0.000 1.908 2426 A HA -0.206 5.384 4.320 2.116 0.000 0.218 2426 A C 2.265 179.888 177.584 0.064 0.000 1.181 2426 A CA 1.877 53.934 52.037 0.034 0.000 0.627 2426 A CB -0.538 18.452 19.000 -0.017 0.000 0.818 2426 A HN 0.566 nan 8.150 nan 0.000 0.445 2427 R N -0.958 119.553 120.500 0.019 0.000 2.083 2427 R HA -0.131 5.479 4.340 2.116 0.000 0.237 2427 R C 2.240 178.566 176.300 0.042 0.000 1.137 2427 R CA 2.107 58.227 56.100 0.033 0.000 0.951 2427 R CB -0.656 29.650 30.300 0.010 0.000 0.851 2427 R HN 0.502 nan 8.270 nan 0.000 0.434 2428 T N 0.373 114.937 114.554 0.017 0.000 2.684 2428 T HA -0.126 5.494 4.350 2.116 0.000 0.267 2428 T C 1.816 176.530 174.700 0.023 0.000 1.036 2428 T CA 1.604 63.710 62.100 0.010 0.000 1.148 2428 T CB -0.164 68.694 68.868 -0.018 0.000 0.863 2428 T HN 0.052 nan 8.240 nan 0.000 0.436 2429 V N 1.289 121.219 119.914 0.027 0.000 2.307 2429 V HA -0.116 5.274 4.120 2.116 0.000 0.245 2429 V C 2.483 178.644 176.094 0.112 0.000 1.045 2429 V CA 1.600 63.926 62.300 0.044 0.000 1.024 2429 V CB -0.534 31.295 31.823 0.009 0.000 0.651 2429 V HN 0.474 nan 8.190 nan 0.000 0.449 2430 M N -0.374 119.326 119.600 0.167 0.000 2.296 2430 M HA -0.129 5.621 4.480 2.116 0.000 0.265 2430 M C 2.335 178.770 176.300 0.226 0.000 1.064 2430 M CA 1.248 56.645 55.300 0.161 0.000 1.109 2430 M CB -0.384 32.333 32.600 0.195 0.000 1.396 2430 M HN 0.318 nan 8.290 nan 0.000 0.430 2431 S N 0.622 116.410 115.700 0.148 0.000 2.419 2431 S HA -0.073 5.667 4.470 2.116 0.000 0.235 2431 S C 1.557 176.224 174.600 0.111 0.000 1.019 2431 S CA 1.112 59.383 58.200 0.118 0.000 0.982 2431 S CB -0.225 63.014 63.200 0.065 0.000 0.789 2431 S HN 0.553 nan 8.310 nan 0.000 0.490 2432 A N 0.620 123.497 122.820 0.096 0.000 3.819 2432 A HA 0.615 6.205 4.320 2.116 0.000 0.178 2432 A C 0.650 178.292 177.584 0.096 0.000 1.817 2432 A CA -0.178 51.901 52.037 0.070 0.000 1.119 2432 A CB -0.873 18.149 19.000 0.036 0.000 1.166 2432 A HN 0.324 nan 8.150 nan 0.000 0.392 2433 L N 0.000 121.251 121.223 0.047 0.000 2.949 2433 L HA 0.000 5.610 4.340 2.116 0.000 0.249 2433 L CA 0.000 54.846 54.840 0.011 0.000 0.813 2433 L CB 0.000 41.989 42.059 -0.117 0.000 0.961 2433 L HN 0.000 nan 8.230 nan 0.000 0.502