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 2nxh_1_B DATA FIRST_RESID 2003 DATA SEQUENCE KFLVIAGPNA IESEELLLKV GEEIKRLSEK FKEVEFVFKS SFDKANRSSI DATA SEQUENCE HSFRGHGLEY GVKALRKVKE EFGLKITTDI HESWQAEPVA EVADIIQIPA DATA SEQUENCE FLCRQTDLLL AAAKTGRAVN VKKGQFLAPW DTKNVVEKLK FGGAKEIYLT DATA SEQUENCE ERGTTFGYNN LVVDFRSLPI MKQWAKVIYD ATHSVQLPGG LGDKSGGMRE DATA SEQUENCE FIFPLIRAAV AVGCDGVFME THPEPEKALS DAPTALPLSQ LEGIIEAILE DATA SEQUENCE IREVASKYYE TI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2003 K HA 0.000 nan 4.320 nan 0.000 0.191 2003 K C 0.000 176.679 176.600 0.131 0.000 0.988 2003 K CA 0.000 56.356 56.287 0.114 0.000 0.838 2003 K CB 0.000 32.556 32.500 0.094 0.000 1.064 2004 F N 2.015 121.960 119.950 -0.009 0.000 2.563 2004 F HA 0.213 4.740 4.527 0.001 0.000 0.363 2004 F C -0.128 175.614 175.800 -0.097 0.000 1.123 2004 F CA -0.378 57.601 58.000 -0.034 0.000 1.307 2004 F CB 0.610 39.581 39.000 -0.049 0.000 1.115 2004 F HN 0.500 nan 8.300 nan 0.000 0.592 2005 L N 6.281 127.118 121.223 -0.642 0.000 2.289 2005 L HA 0.517 4.858 4.340 0.001 0.000 0.285 2005 L C -1.168 175.391 176.870 -0.519 0.000 1.049 2005 L CA -0.405 54.150 54.840 -0.475 0.000 0.804 2005 L CB 1.410 43.239 42.059 -0.385 0.000 1.195 2005 L HN 0.362 nan 8.230 nan 0.000 0.428 2006 V N 6.959 126.624 119.914 -0.414 0.000 2.380 2006 V HA 0.413 4.534 4.120 0.001 0.000 0.286 2006 V C -0.055 175.913 176.094 -0.209 0.000 1.015 2006 V CA -0.426 61.672 62.300 -0.337 0.000 0.834 2006 V CB 1.389 32.878 31.823 -0.557 0.000 1.009 2006 V HN 0.556 nan 8.190 nan 0.000 0.428 2007 I N 4.721 125.177 120.570 -0.190 0.000 2.304 2007 I HA 0.772 4.942 4.170 0.001 0.000 0.291 2007 I C 0.384 176.287 176.117 -0.357 0.000 1.018 2007 I CA 0.006 61.170 61.300 -0.227 0.000 1.260 2007 I CB 1.405 39.281 38.000 -0.207 0.000 1.390 2007 I HN 0.690 nan 8.210 nan 0.000 0.475 2008 A N 4.629 127.263 122.820 -0.310 0.000 2.594 2008 A HA 1.009 5.330 4.320 0.001 0.000 0.291 2008 A C -0.417 176.859 177.584 -0.514 0.000 1.105 2008 A CA -0.260 51.557 52.037 -0.367 0.000 0.694 2008 A CB 2.013 20.927 19.000 -0.143 0.000 1.291 2008 A HN 0.897 nan 8.150 nan 0.000 0.410 2009 G N -0.352 108.132 108.800 -0.526 0.000 2.337 2009 G HA2 0.512 4.472 3.960 0.001 0.000 0.298 2009 G HA3 0.512 4.472 3.960 0.001 0.000 0.298 2009 G C -3.583 171.080 174.900 -0.394 0.000 1.335 2009 G CA -0.194 44.472 45.100 -0.723 0.000 0.875 2009 G HN 0.739 nan 8.290 nan 0.000 0.579 2010 P HA 0.201 nan 4.420 nan 0.000 0.278 2010 P C 0.557 177.841 177.300 -0.028 0.000 1.238 2010 P CA -0.211 62.851 63.100 -0.063 0.000 0.794 2010 P CB 1.818 33.523 31.700 0.007 0.000 0.955 2011 N N 2.234 120.961 118.700 0.045 0.000 2.036 2011 N HA -0.159 4.582 4.740 0.001 0.000 0.195 2011 N C 0.377 175.959 175.510 0.119 0.000 1.037 2011 N CA 1.689 54.790 53.050 0.085 0.000 0.855 2011 N CB -0.175 38.371 38.487 0.099 0.000 1.033 2011 N HN 0.596 nan 8.380 nan 0.000 0.423 2012 A N -0.636 122.285 122.820 0.168 0.000 2.380 2012 A HA 0.543 4.864 4.320 0.001 0.000 0.315 2012 A C -0.535 177.219 177.584 0.284 0.000 1.101 2012 A CA -0.679 51.501 52.037 0.238 0.000 0.771 2012 A CB 0.977 20.189 19.000 0.353 0.000 1.287 2012 A HN 0.252 nan 8.150 nan 0.000 0.436 2013 I N 2.369 123.146 120.570 0.345 0.000 2.366 2013 I HA 0.009 4.180 4.170 0.001 0.000 0.302 2013 I C 0.936 177.356 176.117 0.505 0.000 1.194 2013 I CA 0.272 61.813 61.300 0.402 0.000 1.667 2013 I CB -0.349 37.922 38.000 0.453 0.000 1.501 2013 I HN 0.847 nan 8.210 nan 0.000 0.776 2014 E N 2.545 122.965 120.200 0.366 0.000 2.153 2014 E HA -0.111 4.239 4.350 0.001 0.000 0.194 2014 E C 0.557 177.374 176.600 0.362 0.000 0.988 2014 E CA 0.829 57.393 56.400 0.273 0.000 0.811 2014 E CB 0.105 29.835 29.700 0.050 0.000 0.746 2014 E HN 0.716 nan 8.360 nan 0.000 0.466 2015 S N -1.074 114.812 115.700 0.310 0.000 2.611 2015 S HA 0.064 4.534 4.470 0.001 0.000 0.270 2015 S C 0.254 175.002 174.600 0.247 0.000 1.131 2015 S CA -0.632 57.728 58.200 0.268 0.000 0.826 2015 S CB 1.326 64.612 63.200 0.143 0.000 1.095 2015 S HN 0.195 nan 8.310 nan 0.000 0.461 2016 E N 0.502 120.828 120.200 0.209 0.000 2.274 2016 E HA -0.045 4.306 4.350 0.001 0.000 0.194 2016 E C 1.200 177.845 176.600 0.076 0.000 0.996 2016 E CA 0.911 57.367 56.400 0.093 0.000 0.840 2016 E CB -0.180 29.512 29.700 -0.014 0.000 0.772 2016 E HN 0.674 nan 8.360 nan 0.000 0.491 2017 E N 0.532 120.779 120.200 0.078 0.000 2.051 2017 E HA -0.183 4.168 4.350 0.001 0.000 0.192 2017 E C 2.127 178.759 176.600 0.054 0.000 0.991 2017 E CA 1.165 57.598 56.400 0.054 0.000 0.799 2017 E CB -0.146 29.580 29.700 0.044 0.000 0.748 2017 E HN 0.287 nan 8.360 nan 0.000 0.449 2018 L N 1.338 122.596 121.223 0.059 0.000 2.012 2018 L HA -0.202 4.138 4.340 0.001 0.000 0.210 2018 L C 2.193 179.108 176.870 0.075 0.000 1.073 2018 L CA 1.542 56.396 54.840 0.023 0.000 0.748 2018 L CB -0.426 41.644 42.059 0.018 0.000 0.891 2018 L HN 0.108 nan 8.230 nan 0.000 0.431 2019 L N -1.188 120.124 121.223 0.148 0.000 2.012 2019 L HA -0.266 4.075 4.340 0.001 0.000 0.210 2019 L C 2.575 179.527 176.870 0.136 0.000 1.073 2019 L CA 1.563 56.544 54.840 0.236 0.000 0.748 2019 L CB -0.732 41.443 42.059 0.193 0.000 0.891 2019 L HN 0.352 nan 8.230 nan 0.000 0.431 2020 L N -0.140 121.148 121.223 0.108 0.000 2.093 2020 L HA -0.223 4.118 4.340 0.001 0.000 0.208 2020 L C 2.690 179.636 176.870 0.127 0.000 1.085 2020 L CA 1.297 56.249 54.840 0.187 0.000 0.755 2020 L CB -0.507 41.635 42.059 0.139 0.000 0.904 2020 L HN 0.277 nan 8.230 nan 0.000 0.435 2021 K N 0.228 120.664 120.400 0.060 0.000 2.057 2021 K HA -0.139 4.182 4.320 0.001 0.000 0.207 2021 K C 1.960 178.539 176.600 -0.036 0.000 1.049 2021 K CA 1.281 57.572 56.287 0.006 0.000 0.931 2021 K CB 0.054 32.545 32.500 -0.014 0.000 0.714 2021 K HN 0.046 nan 8.250 nan 0.000 0.440 2022 V N 0.595 120.516 119.914 0.012 0.000 2.379 2022 V HA -0.111 4.010 4.120 0.001 0.000 0.245 2022 V C 2.389 178.499 176.094 0.027 0.000 1.044 2022 V CA 2.005 64.329 62.300 0.040 0.000 1.036 2022 V CB -0.774 31.123 31.823 0.122 0.000 0.664 2022 V HN 0.623 nan 8.190 nan 0.000 0.453 2023 G N -0.484 108.309 108.800 -0.012 0.000 2.442 2023 G HA2 -0.318 3.642 3.960 0.001 0.000 0.219 2023 G HA3 -0.318 3.642 3.960 0.001 0.000 0.219 2023 G C 1.502 175.777 174.900 -1.043 0.000 1.141 2023 G CA 1.047 45.882 45.100 -0.443 0.000 0.763 2023 G HN 0.595 nan 8.290 nan 0.000 0.554 2024 E N 0.169 119.816 120.200 -0.922 0.000 2.085 2024 E HA -0.206 4.144 4.350 0.001 0.000 0.194 2024 E C 2.280 178.618 176.600 -0.436 0.000 0.994 2024 E CA 1.472 57.414 56.400 -0.763 0.000 0.801 2024 E CB -0.127 29.425 29.700 -0.245 0.000 0.743 2024 E HN 0.420 nan 8.360 nan 0.000 0.453 2025 E N 0.673 120.705 120.200 -0.280 0.000 2.107 2025 E HA -0.106 4.244 4.350 0.001 0.000 0.191 2025 E C 1.919 178.384 176.600 -0.226 0.000 0.982 2025 E CA 1.063 57.349 56.400 -0.190 0.000 0.809 2025 E CB -0.206 29.425 29.700 -0.115 0.000 0.756 2025 E HN 0.419 nan 8.360 nan 0.000 0.459 2026 I N 0.254 120.676 120.570 -0.246 0.000 2.394 2026 I HA -0.200 3.971 4.170 0.001 0.000 0.251 2026 I C 2.170 178.039 176.117 -0.413 0.000 1.136 2026 I CA 0.960 62.088 61.300 -0.286 0.000 1.425 2026 I CB -0.245 37.708 38.000 -0.077 0.000 1.079 2026 I HN 0.080 nan 8.210 nan 0.000 0.425 2027 K N 1.708 121.874 120.400 -0.390 0.000 2.025 2027 K HA -0.180 4.140 4.320 0.001 0.000 0.207 2027 K C 2.207 178.661 176.600 -0.244 0.000 1.049 2027 K CA 1.505 57.612 56.287 -0.300 0.000 0.933 2027 K CB -0.353 31.956 32.500 -0.319 0.000 0.714 2027 K HN 0.053 nan 8.250 nan 0.000 0.438 2028 R N -0.290 120.070 120.500 -0.234 0.000 2.096 2028 R HA -0.094 4.246 4.340 0.001 0.000 0.235 2028 R C 1.830 178.016 176.300 -0.190 0.000 1.127 2028 R CA 1.314 57.312 56.100 -0.170 0.000 0.968 2028 R CB -0.228 29.988 30.300 -0.140 0.000 0.861 2028 R HN 0.158 nan 8.270 nan 0.000 0.440 2029 L N 0.292 121.360 121.223 -0.258 0.000 2.093 2029 L HA -0.075 4.265 4.340 0.001 0.000 0.208 2029 L C 2.443 179.117 176.870 -0.325 0.000 1.085 2029 L CA 1.651 56.360 54.840 -0.218 0.000 0.755 2029 L CB -1.016 40.860 42.059 -0.306 0.000 0.904 2029 L HN 0.160 nan 8.230 nan 0.000 0.435 2030 S N -0.914 114.429 115.700 -0.596 0.000 2.368 2030 S HA -0.167 4.304 4.470 0.001 0.000 0.225 2030 S C 1.876 176.467 174.600 -0.014 0.000 1.030 2030 S CA 1.136 59.146 58.200 -0.317 0.000 0.999 2030 S CB -0.033 63.027 63.200 -0.233 0.000 0.844 2030 S HN 0.421 nan 8.310 nan 0.000 0.459 2031 E N 1.004 121.158 120.200 -0.075 0.000 2.106 2031 E HA -0.092 4.259 4.350 0.001 0.000 0.192 2031 E C 2.040 178.603 176.600 -0.061 0.000 0.984 2031 E CA 0.866 57.241 56.400 -0.041 0.000 0.806 2031 E CB -0.262 29.402 29.700 -0.059 0.000 0.750 2031 E HN 0.644 nan 8.360 nan 0.000 0.458 2032 K N -0.149 120.168 120.400 -0.139 0.000 2.116 2032 K HA -0.020 4.301 4.320 0.001 0.000 0.203 2032 K C 0.290 176.690 176.600 -0.333 0.000 1.052 2032 K CA 0.525 56.628 56.287 -0.307 0.000 0.952 2032 K CB 0.106 32.293 32.500 -0.522 0.000 0.729 2032 K HN -0.061 nan 8.250 nan 0.000 0.446 2033 F N 2.004 122.034 119.950 0.135 0.000 2.387 2033 F HA 0.273 4.801 4.527 0.001 0.000 0.332 2033 F C 0.703 176.639 175.800 0.227 0.000 1.174 2033 F CA -0.899 57.225 58.000 0.207 0.000 1.257 2033 F CB 1.147 40.348 39.000 0.335 0.000 1.569 2033 F HN -0.184 nan 8.300 nan 0.000 0.554 2034 K N 0.251 120.803 120.400 0.254 0.000 2.281 2034 K HA -0.155 4.166 4.320 0.001 0.000 0.203 2034 K C 1.344 178.062 176.600 0.196 0.000 1.046 2034 K CA 0.930 57.337 56.287 0.198 0.000 0.938 2034 K CB 0.093 32.663 32.500 0.116 0.000 0.737 2034 K HN 0.373 nan 8.250 nan 0.000 0.458 2035 E N 0.369 120.692 120.200 0.205 0.000 2.445 2035 E HA 0.046 4.396 4.350 0.001 0.000 0.189 2035 E C -0.672 176.015 176.600 0.146 0.000 1.069 2035 E CA -0.049 56.444 56.400 0.155 0.000 0.871 2035 E CB 0.216 29.996 29.700 0.133 0.000 0.991 2035 E HN -0.147 nan 8.360 nan 0.000 0.481 2036 V N 0.648 120.662 119.914 0.167 0.000 2.680 2036 V HA 0.280 4.400 4.120 0.001 0.000 0.309 2036 V C -0.189 175.916 176.094 0.019 0.000 1.052 2036 V CA -1.032 61.281 62.300 0.021 0.000 0.908 2036 V CB 2.116 33.815 31.823 -0.208 0.000 1.001 2036 V HN -0.008 nan 8.190 nan 0.000 0.431 2037 E N 3.262 123.420 120.200 -0.071 0.000 2.055 2037 E HA 0.404 4.755 4.350 0.001 0.000 0.274 2037 E C -1.506 175.038 176.600 -0.094 0.000 0.949 2037 E CA -0.415 55.988 56.400 0.006 0.000 0.775 2037 E CB 0.619 30.325 29.700 0.010 0.000 1.097 2037 E HN 0.498 nan 8.360 nan 0.000 0.404 2038 F N 2.864 122.841 119.950 0.046 0.000 2.385 2038 F HA 0.318 4.845 4.527 0.001 0.000 0.336 2038 F C 0.072 175.887 175.800 0.025 0.000 1.100 2038 F CA -0.537 57.480 58.000 0.028 0.000 1.116 2038 F CB 1.460 40.492 39.000 0.052 0.000 1.166 2038 F HN 0.122 nan 8.300 nan 0.000 0.511 2039 V N 4.172 124.186 119.914 0.167 0.000 2.577 2039 V HA 0.241 4.362 4.120 0.001 0.000 0.303 2039 V C -0.839 175.323 176.094 0.114 0.000 1.042 2039 V CA -1.036 61.330 62.300 0.111 0.000 0.872 2039 V CB 1.684 33.506 31.823 -0.002 0.000 0.998 2039 V HN 0.541 nan 8.190 nan 0.000 0.423 2040 F N 5.708 125.671 119.950 0.023 0.000 2.438 2040 F HA 0.556 5.084 4.527 0.001 0.000 0.356 2040 F C 0.242 176.032 175.800 -0.017 0.000 1.099 2040 F CA 0.190 58.189 58.000 -0.002 0.000 1.185 2040 F CB 0.571 39.584 39.000 0.023 0.000 1.115 2040 F HN 0.394 nan 8.300 nan 0.000 0.526 2041 K N 4.622 124.718 120.400 -0.506 0.000 2.316 2041 K HA 0.609 4.929 4.320 0.001 0.000 0.251 2041 K C -1.694 174.692 176.600 -0.356 0.000 0.934 2041 K CA -0.462 55.648 56.287 -0.294 0.000 0.802 2041 K CB 1.879 34.192 32.500 -0.312 0.000 1.171 2041 K HN 0.668 nan 8.250 nan 0.000 0.426 2042 S N 1.294 116.963 115.700 -0.051 0.000 2.570 2042 S HA 0.286 4.757 4.470 0.001 0.000 0.286 2042 S C -1.693 172.981 174.600 0.125 0.000 1.143 2042 S CA -0.531 57.692 58.200 0.038 0.000 0.921 2042 S CB 0.986 64.274 63.200 0.147 0.000 1.108 2042 S HN 0.516 nan 8.310 nan 0.000 0.456 2043 S N 3.715 119.473 115.700 0.097 0.000 2.489 2043 S HA 0.318 4.789 4.470 0.001 0.000 0.277 2043 S C 0.890 175.536 174.600 0.076 0.000 1.230 2043 S CA -0.542 57.669 58.200 0.019 0.000 1.053 2043 S CB 0.130 63.314 63.200 -0.026 0.000 0.955 2043 S HN 0.692 nan 8.310 nan 0.000 0.488 2044 F N 0.592 120.640 119.950 0.164 0.000 2.661 2044 F HA 0.417 4.945 4.527 0.001 0.000 0.298 2044 F C 0.385 176.246 175.800 0.101 0.000 1.137 2044 F CA -0.346 57.755 58.000 0.169 0.000 1.454 2044 F CB -0.063 39.033 39.000 0.160 0.000 1.103 2044 F HN 0.447 nan 8.300 nan 0.000 0.577 2045 D N 0.220 120.402 120.400 -0.363 0.000 2.878 2045 D HA 0.206 4.846 4.640 0.001 0.000 0.211 2045 D C -1.515 174.559 176.300 -0.376 0.000 1.271 2045 D CA -0.612 53.206 54.000 -0.303 0.000 0.845 2045 D CB 1.212 41.879 40.800 -0.222 0.000 1.679 2045 D HN -0.165 nan 8.370 nan 0.000 0.536 2046 K N 2.985 123.216 120.400 -0.281 0.000 2.231 2046 K HA 0.518 4.838 4.320 0.001 0.000 0.255 2046 K C 0.441 176.879 176.600 -0.269 0.000 1.108 2046 K CA -0.327 55.834 56.287 -0.210 0.000 0.997 2046 K CB 0.898 33.343 32.500 -0.093 0.000 1.549 2046 K HN 0.457 nan 8.250 nan 0.000 0.419 2047 A N 2.607 125.156 122.820 -0.452 0.000 2.235 2047 A HA -0.096 4.225 4.320 0.001 0.000 0.208 2047 A C 1.038 178.540 177.584 -0.137 0.000 1.172 2047 A CA 0.704 52.513 52.037 -0.380 0.000 0.786 2047 A CB -0.612 17.969 19.000 -0.699 0.000 0.804 2047 A HN 0.808 nan 8.150 nan 0.000 0.479 2048 N N -1.517 117.151 118.700 -0.055 0.000 2.365 2048 N HA 0.122 4.863 4.740 0.001 0.000 0.257 2048 N C -0.198 175.370 175.510 0.097 0.000 1.287 2048 N CA -0.736 52.365 53.050 0.085 0.000 0.882 2048 N CB 0.479 39.099 38.487 0.222 0.000 1.250 2048 N HN -0.060 nan 8.380 nan 0.000 0.507 2049 R N 0.540 121.060 120.500 0.033 0.000 2.756 2049 R HA 0.074 4.415 4.340 0.001 0.000 0.264 2049 R C 0.930 177.268 176.300 0.063 0.000 1.026 2049 R CA 0.077 56.207 56.100 0.050 0.000 1.121 2049 R CB 0.392 30.707 30.300 0.025 0.000 0.999 2049 R HN 0.205 nan 8.270 nan 0.000 0.449 2050 S N 0.193 115.937 115.700 0.073 0.000 2.368 2050 S HA -0.086 4.384 4.470 0.001 0.000 0.224 2050 S C 1.030 175.658 174.600 0.046 0.000 1.029 2050 S CA 0.975 59.212 58.200 0.062 0.000 0.988 2050 S CB 0.059 63.298 63.200 0.065 0.000 0.838 2050 S HN 0.638 nan 8.310 nan 0.000 0.462 2051 S N 0.010 115.743 115.700 0.055 0.000 2.509 2051 S HA 0.411 4.882 4.470 0.001 0.000 0.297 2051 S C 0.637 175.252 174.600 0.026 0.000 1.118 2051 S CA -0.727 57.512 58.200 0.064 0.000 1.074 2051 S CB 1.032 64.306 63.200 0.124 0.000 1.038 2051 S HN 0.157 nan 8.310 nan 0.000 0.498 2052 I N 4.025 124.572 120.570 -0.038 0.000 2.700 2052 I HA -0.026 4.145 4.170 0.001 0.000 0.261 2052 I C 1.327 177.341 176.117 -0.171 0.000 1.219 2052 I CA 1.787 63.007 61.300 -0.133 0.000 1.463 2052 I CB -0.303 37.568 38.000 -0.216 0.000 1.092 2052 I HN 0.842 nan 8.210 nan 0.000 0.452 2053 H N -1.201 117.874 119.070 0.008 0.000 2.551 2053 H HA 0.262 4.818 4.556 0.001 0.000 0.266 2053 H C 1.216 176.564 175.328 0.032 0.000 0.964 2053 H CA 0.294 56.352 56.048 0.017 0.000 1.180 2053 H CB -0.002 29.772 29.762 0.019 0.000 1.408 2053 H HN 0.192 nan 8.280 nan 0.000 0.563 2054 S N 0.537 116.315 115.700 0.131 0.000 2.593 2054 S HA 0.046 4.517 4.470 0.001 0.000 0.269 2054 S C -0.164 174.502 174.600 0.111 0.000 1.334 2054 S CA -0.706 57.567 58.200 0.122 0.000 1.015 2054 S CB 0.492 63.749 63.200 0.096 0.000 0.912 2054 S HN 0.233 nan 8.310 nan 0.000 0.541 2055 F N 1.971 121.921 119.950 -0.001 0.000 2.578 2055 F HA 0.153 4.680 4.527 0.001 0.000 0.376 2055 F C 1.299 177.071 175.800 -0.046 0.000 1.085 2055 F CA 0.300 58.282 58.000 -0.030 0.000 1.260 2055 F CB 0.397 39.382 39.000 -0.026 0.000 1.095 2055 F HN 0.562 nan 8.300 nan 0.000 0.573 2056 R N 3.010 122.992 120.500 -0.863 0.000 2.144 2056 R HA 0.478 4.819 4.340 0.001 0.000 0.195 2056 R C 0.499 176.237 176.300 -0.937 0.000 1.077 2056 R CA 0.189 55.890 56.100 -0.665 0.000 1.120 2056 R CB 0.240 30.306 30.300 -0.390 0.000 1.060 2056 R HN 0.889 nan 8.270 nan 0.000 0.520 2057 G N -0.753 107.256 108.800 -1.319 0.000 2.356 2057 G HA2 -0.036 3.924 3.960 0.001 0.000 0.288 2057 G HA3 -0.036 3.924 3.960 0.001 0.000 0.288 2057 G C -1.277 173.243 174.900 -0.634 0.000 1.302 2057 G CA -0.862 43.711 45.100 -0.877 0.000 0.887 2057 G HN 0.339 nan 8.290 nan 0.000 0.521 2058 H N 0.142 119.189 119.070 -0.039 0.000 2.487 2058 H HA 0.524 5.081 4.556 0.001 0.000 0.290 2058 H C 1.065 176.420 175.328 0.044 0.000 1.081 2058 H CA 0.808 56.801 56.048 -0.091 0.000 1.116 2058 H CB 0.582 30.076 29.762 -0.446 0.000 1.560 2058 H HN 1.725 nan 8.280 nan 0.000 0.548 2059 G N 0.300 109.216 108.800 0.193 0.000 2.690 2059 G HA2 -0.235 3.726 3.960 0.001 0.000 0.686 2059 G HA3 -0.235 3.726 3.960 0.001 0.000 0.686 2059 G C 0.224 175.278 174.900 0.256 0.000 1.277 2059 G CA -0.351 44.888 45.100 0.230 0.000 0.799 2059 G HN 0.209 nan 8.290 nan 0.000 0.613 2060 L N 0.697 121.979 121.223 0.098 0.000 2.046 2060 L HA 0.058 4.398 4.340 0.001 0.000 0.208 2060 L C 2.548 179.325 176.870 -0.154 0.000 1.077 2060 L CA 3.083 57.714 54.840 -0.348 0.000 0.747 2060 L CB -0.921 40.866 42.059 -0.453 0.000 0.896 2060 L HN 0.828 nan 8.230 nan 0.000 0.432 2061 E N -1.668 118.540 120.200 0.014 0.000 2.051 2061 E HA -0.304 4.047 4.350 0.001 0.000 0.192 2061 E C 2.140 178.790 176.600 0.084 0.000 0.991 2061 E CA 1.748 58.173 56.400 0.041 0.000 0.799 2061 E CB -0.463 29.282 29.700 0.075 0.000 0.748 2061 E HN 0.607 nan 8.360 nan 0.000 0.449 2062 Y N 1.116 121.447 120.300 0.051 0.000 2.165 2062 Y HA -0.191 4.359 4.550 0.001 0.000 0.286 2062 Y C 2.255 178.212 175.900 0.095 0.000 1.155 2062 Y CA 1.847 59.993 58.100 0.077 0.000 1.164 2062 Y CB -0.506 38.029 38.460 0.127 0.000 0.978 2062 Y HN 0.004 nan 8.280 nan 0.000 0.513 2063 G N -0.742 108.224 108.800 0.276 0.000 2.404 2063 G HA2 -0.220 3.741 3.960 0.001 0.000 0.215 2063 G HA3 -0.220 3.741 3.960 0.001 0.000 0.215 2063 G C 1.689 176.639 174.900 0.084 0.000 1.174 2063 G CA 1.158 46.407 45.100 0.247 0.000 0.780 2063 G HN 0.347 nan 8.290 nan 0.000 0.537 2064 V N 0.922 120.832 119.914 -0.006 0.000 2.490 2064 V HA -0.159 3.961 4.120 0.001 0.000 0.250 2064 V C 2.689 178.759 176.094 -0.040 0.000 1.061 2064 V CA 2.267 64.549 62.300 -0.029 0.000 1.064 2064 V CB -0.280 31.499 31.823 -0.074 0.000 0.670 2064 V HN 0.481 nan 8.190 nan 0.000 0.461 2065 K N 0.329 120.680 120.400 -0.081 0.000 2.062 2065 K HA -0.104 4.216 4.320 0.001 0.000 0.205 2065 K C 2.195 178.702 176.600 -0.156 0.000 1.051 2065 K CA 1.401 57.615 56.287 -0.122 0.000 0.941 2065 K CB -0.281 32.125 32.500 -0.157 0.000 0.719 2065 K HN 0.391 nan 8.250 nan 0.000 0.440 2066 A N 1.514 124.206 122.820 -0.213 0.000 1.933 2066 A HA -0.099 4.221 4.320 0.001 0.000 0.218 2066 A C 2.122 179.667 177.584 -0.065 0.000 1.175 2066 A CA 1.209 53.139 52.037 -0.178 0.000 0.628 2066 A CB -0.542 18.355 19.000 -0.171 0.000 0.814 2066 A HN 0.331 nan 8.150 nan 0.000 0.444 2067 L N -1.266 119.956 121.223 -0.001 0.000 2.109 2067 L HA -0.105 4.235 4.340 0.001 0.000 0.207 2067 L C 2.746 179.600 176.870 -0.028 0.000 1.086 2067 L CA 1.471 56.331 54.840 0.032 0.000 0.760 2067 L CB -0.401 41.727 42.059 0.115 0.000 0.910 2067 L HN 0.465 nan 8.230 nan 0.000 0.437 2068 R N 0.621 121.096 120.500 -0.041 0.000 2.115 2068 R HA -0.216 4.125 4.340 0.001 0.000 0.230 2068 R C 2.286 178.533 176.300 -0.088 0.000 1.111 2068 R CA 1.370 57.438 56.100 -0.053 0.000 0.976 2068 R CB 0.033 30.302 30.300 -0.051 0.000 0.870 2068 R HN 0.016 nan 8.270 nan 0.000 0.445 2069 K N 0.175 120.508 120.400 -0.111 0.000 2.057 2069 K HA -0.076 4.244 4.320 0.001 0.000 0.207 2069 K C 1.800 178.289 176.600 -0.186 0.000 1.049 2069 K CA 1.590 57.789 56.287 -0.146 0.000 0.931 2069 K CB -0.371 32.043 32.500 -0.144 0.000 0.714 2069 K HN 0.058 nan 8.250 nan 0.000 0.440 2070 V N 1.223 121.034 119.914 -0.172 0.000 2.261 2070 V HA -0.268 3.853 4.120 0.001 0.000 0.246 2070 V C 2.434 178.457 176.094 -0.119 0.000 1.047 2070 V CA 2.256 64.444 62.300 -0.186 0.000 1.015 2070 V CB -0.525 31.017 31.823 -0.468 0.000 0.642 2070 V HN 0.463 nan 8.190 nan 0.000 0.446 2071 K N 0.023 120.364 120.400 -0.098 0.000 2.063 2071 K HA -0.236 4.085 4.320 0.001 0.000 0.208 2071 K C 2.045 178.607 176.600 -0.064 0.000 1.048 2071 K CA 2.015 58.276 56.287 -0.043 0.000 0.928 2071 K CB -0.128 32.361 32.500 -0.018 0.000 0.713 2071 K HN 0.608 nan 8.250 nan 0.000 0.442 2072 E N 0.194 120.328 120.200 -0.110 0.000 2.046 2072 E HA -0.177 4.173 4.350 0.001 0.000 0.190 2072 E C 2.001 178.484 176.600 -0.195 0.000 0.982 2072 E CA 1.037 57.362 56.400 -0.124 0.000 0.800 2072 E CB 0.030 29.658 29.700 -0.121 0.000 0.756 2072 E HN 0.415 nan 8.360 nan 0.000 0.449 2073 E N -0.356 119.638 120.200 -0.343 0.000 2.208 2073 E HA -0.119 4.231 4.350 0.001 0.000 0.193 2073 E C 0.772 176.956 176.600 -0.693 0.000 0.988 2073 E CA 0.773 56.813 56.400 -0.600 0.000 0.828 2073 E CB 0.222 29.366 29.700 -0.926 0.000 0.763 2073 E HN 0.166 nan 8.360 nan 0.000 0.478 2074 F N -1.269 118.622 119.950 -0.098 0.000 2.706 2074 F HA 0.358 4.885 4.527 0.001 0.000 0.313 2074 F C 1.233 176.997 175.800 -0.060 0.000 1.096 2074 F CA 0.297 58.244 58.000 -0.088 0.000 1.219 2074 F CB 1.071 39.998 39.000 -0.121 0.000 1.051 2074 F HN 0.045 nan 8.300 nan 0.000 0.568 2075 G N 1.792 110.634 108.800 0.071 0.000 2.225 2075 G HA2 -0.305 3.656 3.960 0.001 0.000 0.267 2075 G HA3 -0.305 3.656 3.960 0.001 0.000 0.267 2075 G C 0.012 174.961 174.900 0.081 0.000 1.024 2075 G CA 0.073 45.207 45.100 0.056 0.000 0.784 2075 G HN 0.307 nan 8.290 nan 0.000 0.507 2076 L N -0.484 120.796 121.223 0.095 0.000 2.325 2076 L HA 0.449 4.789 4.340 0.001 0.000 0.279 2076 L C 1.074 178.006 176.870 0.104 0.000 1.054 2076 L CA -0.881 54.024 54.840 0.109 0.000 0.804 2076 L CB 1.137 43.267 42.059 0.117 0.000 1.200 2076 L HN 0.033 nan 8.230 nan 0.000 0.436 2077 K N 2.374 122.847 120.400 0.122 0.000 2.258 2077 K HA 0.419 4.740 4.320 0.001 0.000 0.264 2077 K C -0.680 176.003 176.600 0.139 0.000 1.007 2077 K CA -0.395 55.957 56.287 0.108 0.000 0.941 2077 K CB 0.937 33.495 32.500 0.097 0.000 0.966 2077 K HN 0.301 nan 8.250 nan 0.000 0.480 2078 I N 0.988 121.630 120.570 0.121 0.000 2.646 2078 I HA 0.273 4.444 4.170 0.001 0.000 0.299 2078 I C 0.072 176.258 176.117 0.114 0.000 1.036 2078 I CA -0.384 61.007 61.300 0.152 0.000 1.074 2078 I CB 1.864 39.948 38.000 0.140 0.000 1.258 2078 I HN 0.571 nan 8.210 nan 0.000 0.430 2079 T N 3.112 117.738 114.554 0.119 0.000 2.933 2079 T HA 0.646 4.997 4.350 0.001 0.000 0.305 2079 T C -0.986 173.773 174.700 0.099 0.000 1.092 2079 T CA -0.216 61.932 62.100 0.081 0.000 1.008 2079 T CB 1.613 70.503 68.868 0.036 0.000 1.102 2079 T HN 0.833 nan 8.240 nan 0.000 0.469 2080 T N 2.382 116.994 114.554 0.097 0.000 2.840 2080 T HA 0.535 4.885 4.350 0.001 0.000 0.317 2080 T C -2.039 172.687 174.700 0.044 0.000 1.401 2080 T CA -0.719 61.447 62.100 0.109 0.000 1.028 2080 T CB 1.453 70.459 68.868 0.231 0.000 1.317 2080 T HN 0.801 nan 8.240 nan 0.000 0.495 2081 D N 2.535 122.901 120.400 -0.057 0.000 2.229 2081 D HA 0.558 5.199 4.640 0.001 0.000 0.249 2081 D C 0.198 176.270 176.300 -0.381 0.000 1.027 2081 D CA -0.639 53.231 54.000 -0.216 0.000 0.923 2081 D CB 1.144 41.776 40.800 -0.280 0.000 1.174 2081 D HN 0.771 nan 8.370 nan 0.000 0.443 2082 I N -2.645 117.659 120.570 -0.443 0.000 2.797 2082 I HA 0.495 4.666 4.170 0.001 0.000 0.307 2082 I C -0.459 175.207 176.117 -0.752 0.000 1.033 2082 I CA -0.996 60.048 61.300 -0.427 0.000 1.071 2082 I CB 2.042 39.947 38.000 -0.159 0.000 1.255 2082 I HN 0.291 nan 8.210 nan 0.000 0.445 2083 H N 0.556 119.574 119.070 -0.087 0.000 3.241 2083 H HA 0.465 5.022 4.556 0.001 0.000 0.260 2083 H C -0.641 174.658 175.328 -0.049 0.000 1.084 2083 H CA -0.218 55.791 56.048 -0.064 0.000 1.203 2083 H CB 0.729 30.459 29.762 -0.053 0.000 1.524 2083 H HN 0.593 nan 8.280 nan 0.000 0.521 2084 E N -0.462 119.704 120.200 -0.058 0.000 2.366 2084 E HA 0.259 4.609 4.350 0.001 0.000 0.278 2084 E C 0.051 176.553 176.600 -0.162 0.000 0.923 2084 E CA -0.305 56.068 56.400 -0.045 0.000 0.761 2084 E CB 2.427 32.179 29.700 0.087 0.000 1.231 2084 E HN -0.041 nan 8.360 nan 0.000 0.443 2085 S N 1.496 117.196 115.700 -0.000 0.000 2.389 2085 S HA -0.188 4.283 4.470 0.001 0.000 0.231 2085 S C 1.537 176.156 174.600 0.032 0.000 1.052 2085 S CA 1.943 60.159 58.200 0.026 0.000 1.053 2085 S CB -0.266 62.992 63.200 0.097 0.000 0.886 2085 S HN 0.736 nan 8.310 nan 0.000 0.456 2086 W N 1.790 123.122 121.300 0.054 0.000 2.468 2086 W HA -0.064 4.597 4.660 0.001 0.000 0.262 2086 W C 1.159 177.706 176.519 0.045 0.000 1.241 2086 W CA 0.680 58.051 57.345 0.044 0.000 1.232 2086 W CB -0.770 28.714 29.460 0.040 0.000 1.124 2086 W HN 0.423 nan 8.180 nan 0.000 0.597 2087 Q N 0.879 120.263 119.800 -0.693 0.000 2.331 2087 Q HA 0.031 4.372 4.340 0.001 0.000 0.203 2087 Q C 2.693 178.554 176.000 -0.231 0.000 0.944 2087 Q CA 1.138 56.544 55.803 -0.663 0.000 0.892 2087 Q CB -0.289 27.983 28.738 -0.777 0.000 0.983 2087 Q HN 0.285 nan 8.270 nan 0.000 0.482 2088 A N 1.949 124.688 122.820 -0.134 0.000 1.859 2088 A HA -0.326 3.995 4.320 0.001 0.000 0.217 2088 A C 1.977 179.549 177.584 -0.018 0.000 1.198 2088 A CA 1.947 53.952 52.037 -0.053 0.000 0.629 2088 A CB -0.639 18.347 19.000 -0.023 0.000 0.830 2088 A HN 0.446 nan 8.150 nan 0.000 0.446 2089 E N -0.349 119.858 120.200 0.011 0.000 2.023 2089 E HA -0.169 4.181 4.350 0.001 0.000 0.196 2089 E C -0.465 176.145 176.600 0.018 0.000 1.003 2089 E CA 1.741 58.158 56.400 0.028 0.000 0.809 2089 E CB -0.606 29.128 29.700 0.056 0.000 0.755 2089 E HN 0.510 nan 8.360 nan 0.000 0.449 2090 P HA -0.130 nan 4.420 nan 0.000 0.217 2090 P C 1.564 178.842 177.300 -0.037 0.000 1.150 2090 P CA 1.054 64.156 63.100 0.003 0.000 0.832 2090 P CB 0.017 31.733 31.700 0.025 0.000 0.787 2091 V N 0.976 120.852 119.914 -0.063 0.000 2.427 2091 V HA -0.179 3.942 4.120 0.001 0.000 0.248 2091 V C 2.794 178.887 176.094 -0.001 0.000 1.051 2091 V CA 1.992 64.263 62.300 -0.048 0.000 1.048 2091 V CB -1.646 30.164 31.823 -0.022 0.000 0.666 2091 V HN 0.101 nan 8.190 nan 0.000 0.456 2092 A N -0.583 122.239 122.820 0.003 0.000 2.125 2092 A HA -0.178 4.143 4.320 0.001 0.000 0.219 2092 A C 2.090 179.684 177.584 0.016 0.000 1.156 2092 A CA 1.277 53.324 52.037 0.015 0.000 0.671 2092 A CB -0.339 18.671 19.000 0.016 0.000 0.794 2092 A HN 0.536 nan 8.150 nan 0.000 0.459 2093 E N -0.469 119.736 120.200 0.008 0.000 2.153 2093 E HA -0.090 4.260 4.350 0.001 0.000 0.194 2093 E C 1.628 178.234 176.600 0.010 0.000 0.988 2093 E CA 1.515 57.919 56.400 0.007 0.000 0.811 2093 E CB -0.084 29.616 29.700 0.000 0.000 0.746 2093 E HN 0.484 nan 8.360 nan 0.000 0.466 2094 V N -0.391 119.531 119.914 0.015 0.000 3.473 2094 V HA 0.250 4.370 4.120 0.001 0.000 0.253 2094 V C 0.731 176.852 176.094 0.044 0.000 1.340 2094 V CA 0.379 62.693 62.300 0.024 0.000 1.103 2094 V CB 0.533 32.368 31.823 0.019 0.000 0.881 2094 V HN 0.053 nan 8.190 nan 0.000 0.451 2095 A N 0.607 123.457 122.820 0.050 0.000 2.354 2095 A HA 0.256 4.576 4.320 0.001 0.000 0.281 2095 A C 0.872 178.490 177.584 0.057 0.000 1.174 2095 A CA -0.090 51.986 52.037 0.065 0.000 0.828 2095 A CB -0.030 19.013 19.000 0.072 0.000 1.099 2095 A HN 0.380 nan 8.150 nan 0.000 0.516 2096 D N 1.662 122.100 120.400 0.063 0.000 2.234 2096 D HA 0.037 4.678 4.640 0.001 0.000 0.205 2096 D C 0.096 176.436 176.300 0.067 0.000 0.962 2096 D CA 1.413 55.450 54.000 0.062 0.000 0.855 2096 D CB 0.266 41.105 40.800 0.066 0.000 0.951 2096 D HN 0.566 nan 8.370 nan 0.000 0.500 2097 I N 1.539 122.145 120.570 0.061 0.000 2.478 2097 I HA 0.260 4.430 4.170 0.001 0.000 0.287 2097 I C -0.445 175.700 176.117 0.048 0.000 1.042 2097 I CA -0.582 60.754 61.300 0.060 0.000 1.067 2097 I CB 2.691 40.703 38.000 0.019 0.000 1.233 2097 I HN -0.291 nan 8.210 nan 0.000 0.431 2098 I N 5.846 126.443 120.570 0.046 0.000 2.325 2098 I HA 0.202 4.373 4.170 0.001 0.000 0.291 2098 I C 0.194 176.313 176.117 0.003 0.000 1.019 2098 I CA -0.207 61.108 61.300 0.024 0.000 1.302 2098 I CB 1.185 39.194 38.000 0.016 0.000 1.401 2098 I HN 0.595 nan 8.210 nan 0.000 0.485 2099 Q N 6.599 126.386 119.800 -0.022 0.000 2.256 2099 Q HA 0.403 4.744 4.340 0.001 0.000 0.254 2099 Q C -1.071 174.860 176.000 -0.115 0.000 0.916 2099 Q CA -0.669 55.097 55.803 -0.061 0.000 0.932 2099 Q CB 1.309 30.013 28.738 -0.057 0.000 1.207 2099 Q HN 0.485 nan 8.270 nan 0.000 0.426 2100 I N 6.428 126.929 120.570 -0.114 0.000 2.339 2100 I HA 0.345 4.515 4.170 0.001 0.000 0.290 2100 I C -2.190 173.830 176.117 -0.162 0.000 0.994 2100 I CA -2.648 58.576 61.300 -0.127 0.000 1.191 2100 I CB 0.933 38.888 38.000 -0.074 0.000 1.343 2100 I HN 0.519 nan 8.210 nan 0.000 0.458 2101 P HA 0.056 nan 4.420 nan 0.000 0.267 2101 P C 0.656 177.847 177.300 -0.181 0.000 1.200 2101 P CA 0.105 63.086 63.100 -0.199 0.000 0.772 2101 P CB 0.892 32.520 31.700 -0.119 0.000 0.855 2102 A N 2.521 125.158 122.820 -0.305 0.000 1.908 2102 A HA -0.218 4.103 4.320 0.001 0.000 0.218 2102 A C 1.646 179.195 177.584 -0.058 0.000 1.181 2102 A CA 1.768 53.630 52.037 -0.292 0.000 0.627 2102 A CB -1.571 17.164 19.000 -0.441 0.000 0.818 2102 A HN 0.504 nan 8.150 nan 0.000 0.445 2103 F N -0.342 119.627 119.950 0.031 0.000 2.365 2103 F HA 0.047 4.575 4.527 0.001 0.000 0.300 2103 F C 1.556 177.482 175.800 0.209 0.000 1.090 2103 F CA 0.400 58.523 58.000 0.205 0.000 1.408 2103 F CB -0.523 38.559 39.000 0.137 0.000 1.060 2103 F HN 0.097 nan 8.300 nan 0.000 0.534 2104 L N -0.411 120.970 121.223 0.264 0.000 2.700 2104 L HA 0.102 4.443 4.340 0.001 0.000 0.234 2104 L C 1.844 178.784 176.870 0.115 0.000 1.156 2104 L CA -0.104 54.838 54.840 0.170 0.000 0.946 2104 L CB -0.724 41.395 42.059 0.099 0.000 1.216 2104 L HN 0.221 nan 8.230 nan 0.000 0.493 2105 C N -1.477 117.896 119.300 0.121 0.000 2.430 2105 C HA 0.011 4.471 4.460 0.001 0.000 0.288 2105 C C 2.252 177.294 174.990 0.086 0.000 1.448 2105 C CA -0.065 58.986 59.018 0.055 0.000 1.784 2105 C CB -0.807 26.919 27.740 -0.023 0.000 1.776 2105 C HN 0.466 nan 8.230 nan 0.000 0.547 2106 R N 0.198 120.787 120.500 0.149 0.000 2.362 2106 R HA 0.148 4.489 4.340 0.001 0.000 0.227 2106 R C 0.192 176.529 176.300 0.061 0.000 0.905 2106 R CA 0.127 56.291 56.100 0.107 0.000 1.067 2106 R CB -0.115 30.267 30.300 0.136 0.000 1.078 2106 R HN 0.607 nan 8.270 nan 0.000 0.516 2107 Q N 1.390 121.228 119.800 0.063 0.000 2.381 2107 Q HA 0.081 4.422 4.340 0.001 0.000 0.243 2107 Q C 0.793 176.813 176.000 0.033 0.000 1.154 2107 Q CA 0.213 56.042 55.803 0.044 0.000 0.899 2107 Q CB 0.788 29.557 28.738 0.051 0.000 1.396 2107 Q HN 0.050 nan 8.270 nan 0.000 0.485 2108 T N 1.637 116.205 114.554 0.024 0.000 2.620 2108 T HA -0.211 4.139 4.350 0.001 0.000 0.267 2108 T C 0.940 175.659 174.700 0.033 0.000 1.044 2108 T CA 1.933 64.046 62.100 0.021 0.000 1.161 2108 T CB 0.028 68.900 68.868 0.008 0.000 0.862 2108 T HN 0.502 nan 8.240 nan 0.000 0.438 2109 D N 0.648 121.070 120.400 0.036 0.000 2.182 2109 D HA -0.035 4.605 4.640 0.001 0.000 0.201 2109 D C 2.030 178.354 176.300 0.040 0.000 0.986 2109 D CA 0.544 54.571 54.000 0.045 0.000 0.847 2109 D CB -0.412 40.419 40.800 0.051 0.000 0.942 2109 D HN 0.203 nan 8.370 nan 0.000 0.467 2110 L N 0.437 121.679 121.223 0.031 0.000 2.072 2110 L HA -0.060 4.281 4.340 0.001 0.000 0.205 2110 L C 2.224 179.100 176.870 0.010 0.000 1.079 2110 L CA 1.144 55.991 54.840 0.013 0.000 0.752 2110 L CB -0.358 41.704 42.059 0.004 0.000 0.906 2110 L HN -0.026 nan 8.230 nan 0.000 0.436 2111 L N -1.376 119.858 121.223 0.019 0.000 2.017 2111 L HA -0.242 4.099 4.340 0.001 0.000 0.208 2111 L C 2.473 179.364 176.870 0.036 0.000 1.073 2111 L CA 1.298 56.152 54.840 0.022 0.000 0.745 2111 L CB -0.661 41.414 42.059 0.026 0.000 0.894 2111 L HN 0.257 nan 8.230 nan 0.000 0.432 2112 L N -0.358 120.895 121.223 0.050 0.000 2.042 2112 L HA -0.221 4.120 4.340 0.001 0.000 0.210 2112 L C 2.902 179.801 176.870 0.048 0.000 1.076 2112 L CA 1.227 56.107 54.840 0.066 0.000 0.749 2112 L CB -0.836 41.275 42.059 0.087 0.000 0.893 2112 L HN 0.275 nan 8.230 nan 0.000 0.432 2113 A N 0.087 122.930 122.820 0.039 0.000 1.902 2113 A HA -0.160 4.160 4.320 0.001 0.000 0.217 2113 A C 2.547 180.143 177.584 0.020 0.000 1.181 2113 A CA 1.758 53.814 52.037 0.032 0.000 0.623 2113 A CB -0.647 18.371 19.000 0.029 0.000 0.818 2113 A HN 0.408 nan 8.150 nan 0.000 0.443 2114 A N -0.131 122.697 122.820 0.013 0.000 1.877 2114 A HA 0.171 4.491 4.320 0.001 0.000 0.216 2114 A C 2.513 180.108 177.584 0.019 0.000 1.186 2114 A CA 2.076 54.118 52.037 0.009 0.000 0.620 2114 A CB -1.054 17.948 19.000 0.002 0.000 0.822 2114 A HN 1.085 nan 8.150 nan 0.000 0.443 2115 A N -0.301 122.534 122.820 0.025 0.000 1.933 2115 A HA -0.179 4.141 4.320 0.001 0.000 0.218 2115 A C 2.123 179.717 177.584 0.017 0.000 1.175 2115 A CA 1.936 53.988 52.037 0.025 0.000 0.628 2115 A CB -0.459 18.561 19.000 0.033 0.000 0.814 2115 A HN 0.535 nan 8.150 nan 0.000 0.444 2116 K N -0.025 120.387 120.400 0.019 0.000 2.209 2116 K HA -0.153 4.168 4.320 0.001 0.000 0.204 2116 K C 1.955 178.563 176.600 0.013 0.000 1.048 2116 K CA 1.811 58.106 56.287 0.014 0.000 0.940 2116 K CB -0.308 32.205 32.500 0.021 0.000 0.729 2116 K HN 0.663 nan 8.250 nan 0.000 0.451 2117 T N -3.306 111.258 114.554 0.017 0.000 2.962 2117 T HA 0.030 4.380 4.350 0.001 0.000 0.270 2117 T C 1.477 176.187 174.700 0.016 0.000 1.088 2117 T CA 1.226 63.336 62.100 0.017 0.000 1.127 2117 T CB -0.153 68.726 68.868 0.019 0.000 0.883 2117 T HN 0.421 nan 8.240 nan 0.000 0.493 2118 G N 1.169 109.978 108.800 0.015 0.000 2.213 2118 G HA2 -0.213 3.748 3.960 0.001 0.000 0.236 2118 G HA3 -0.213 3.748 3.960 0.001 0.000 0.236 2118 G C 0.332 175.246 174.900 0.023 0.000 0.991 2118 G CA -0.129 44.980 45.100 0.015 0.000 0.629 2118 G HN 0.628 nan 8.290 nan 0.000 0.517 2119 R N 0.860 121.377 120.500 0.029 0.000 2.649 2119 R HA 0.716 5.056 4.340 0.001 0.000 0.270 2119 R C 0.891 177.223 176.300 0.053 0.000 1.105 2119 R CA 0.247 56.372 56.100 0.041 0.000 1.193 2119 R CB 0.031 30.356 30.300 0.042 0.000 1.120 2119 R HN 0.723 nan 8.270 nan 0.000 0.561 2120 A N 0.760 123.627 122.820 0.079 0.000 2.386 2120 A HA 0.418 4.738 4.320 0.001 0.000 0.248 2120 A C -0.330 177.327 177.584 0.121 0.000 1.082 2120 A CA -0.367 51.740 52.037 0.117 0.000 0.789 2120 A CB 0.584 19.707 19.000 0.205 0.000 1.025 2120 A HN 0.331 nan 8.150 nan 0.000 0.490 2121 V N 2.421 122.418 119.914 0.138 0.000 2.531 2121 V HA 0.351 4.472 4.120 0.001 0.000 0.301 2121 V C -0.103 176.096 176.094 0.175 0.000 1.034 2121 V CA -0.750 61.617 62.300 0.112 0.000 0.865 2121 V CB 1.676 33.536 31.823 0.061 0.000 0.995 2121 V HN 0.974 nan 8.190 nan 0.000 0.424 2122 N N 3.415 122.186 118.700 0.119 0.000 2.443 2122 N HA 0.558 5.299 4.740 0.001 0.000 0.269 2122 N C -1.363 174.150 175.510 0.005 0.000 0.985 2122 N CA -0.385 52.726 53.050 0.102 0.000 0.921 2122 N CB 1.807 40.294 38.487 0.000 0.000 1.195 2122 N HN 0.445 nan 8.380 nan 0.000 0.492 2123 V N 3.962 123.878 119.914 0.005 0.000 2.370 2123 V HA 0.258 4.379 4.120 0.001 0.000 0.279 2123 V C 0.164 176.191 176.094 -0.112 0.000 1.029 2123 V CA -0.745 61.523 62.300 -0.053 0.000 0.870 2123 V CB 1.207 33.014 31.823 -0.026 0.000 0.984 2123 V HN 0.581 nan 8.190 nan 0.000 0.451 2124 K N 3.936 124.225 120.400 -0.185 0.000 2.339 2124 K HA 0.194 4.515 4.320 0.001 0.000 0.286 2124 K C 0.058 176.515 176.600 -0.238 0.000 1.050 2124 K CA -0.245 55.883 56.287 -0.266 0.000 0.956 2124 K CB 0.787 33.069 32.500 -0.362 0.000 0.990 2124 K HN 0.620 nan 8.250 nan 0.000 0.475 2125 K N 1.611 121.872 120.400 -0.232 0.000 2.416 2125 K HA 0.086 4.407 4.320 0.001 0.000 0.283 2125 K C 0.331 176.720 176.600 -0.351 0.000 1.037 2125 K CA -0.097 56.044 56.287 -0.243 0.000 0.995 2125 K CB 0.431 32.810 32.500 -0.201 0.000 0.938 2125 K HN 0.695 nan 8.250 nan 0.000 0.475 2126 G N 3.098 111.601 108.800 -0.494 0.000 2.484 2126 G HA2 -0.085 3.876 3.960 0.001 0.000 0.235 2126 G HA3 -0.085 3.876 3.960 0.001 0.000 0.235 2126 G C 0.121 174.579 174.900 -0.738 0.000 1.282 2126 G CA -0.411 44.166 45.100 -0.872 0.000 0.857 2126 G HN 0.818 nan 8.290 nan 0.000 0.571 2127 Q N 0.488 119.984 119.800 -0.506 0.000 2.500 2127 Q HA -0.001 4.340 4.340 0.001 0.000 0.213 2127 Q C 1.492 177.432 176.000 -0.101 0.000 0.974 2127 Q CA 1.174 56.866 55.803 -0.185 0.000 0.918 2127 Q CB -0.117 28.649 28.738 0.047 0.000 0.980 2127 Q HN 0.802 nan 8.270 nan 0.000 0.505 2128 F N -3.046 116.923 119.950 0.032 0.000 2.678 2128 F HA 0.365 4.892 4.527 0.001 0.000 0.305 2128 F C 0.199 175.987 175.800 -0.021 0.000 1.090 2128 F CA -0.934 57.074 58.000 0.014 0.000 1.272 2128 F CB 0.044 39.059 39.000 0.025 0.000 1.060 2128 F HN -0.126 nan 8.300 nan 0.000 0.576 2129 L N 1.991 123.081 121.223 -0.221 0.000 2.334 2129 L HA 0.761 5.101 4.340 0.001 0.000 0.277 2129 L C 0.170 176.915 176.870 -0.208 0.000 1.075 2129 L CA -1.119 53.639 54.840 -0.137 0.000 0.804 2129 L CB 1.095 43.004 42.059 -0.251 0.000 1.174 2129 L HN 0.209 nan 8.230 nan 0.000 0.438 2130 A N 5.766 128.432 122.820 -0.258 0.000 2.316 2130 A HA 0.565 4.885 4.320 0.001 0.000 0.284 2130 A C -1.856 175.329 177.584 -0.665 0.000 1.115 2130 A CA -1.170 50.515 52.037 -0.587 0.000 0.812 2130 A CB 0.042 18.588 19.000 -0.757 0.000 1.064 2130 A HN 0.752 nan 8.150 nan 0.000 0.489 2131 P HA -0.183 nan 4.420 nan 0.000 0.216 2131 P C 0.893 178.175 177.300 -0.029 0.000 1.153 2131 P CA 2.072 64.957 63.100 -0.358 0.000 0.858 2131 P CB -0.100 31.414 31.700 -0.310 0.000 0.789 2132 W N -0.556 120.885 121.300 0.236 0.000 2.519 2132 W HA 0.028 4.688 4.660 0.001 0.000 0.266 2132 W C 0.944 177.501 176.519 0.064 0.000 1.253 2132 W CA 0.529 58.053 57.345 0.299 0.000 1.274 2132 W CB -1.738 27.847 29.460 0.208 0.000 1.114 2132 W HN -0.112 nan 8.180 nan 0.000 0.596 2133 D N 0.875 121.285 120.400 0.016 0.000 2.363 2133 D HA -0.089 4.551 4.640 0.001 0.000 0.226 2133 D C 1.965 178.212 176.300 -0.088 0.000 1.020 2133 D CA 1.691 55.684 54.000 -0.012 0.000 0.892 2133 D CB -0.317 40.478 40.800 -0.008 0.000 0.900 2133 D HN 0.371 nan 8.370 nan 0.000 0.531 2134 T N -2.075 112.440 114.554 -0.064 0.000 3.085 2134 T HA -0.026 4.324 4.350 0.001 0.000 0.263 2134 T C 1.726 176.213 174.700 -0.354 0.000 1.127 2134 T CA 0.317 62.378 62.100 -0.065 0.000 1.103 2134 T CB 0.273 69.237 68.868 0.160 0.000 0.921 2134 T HN 0.043 nan 8.240 nan 0.000 0.510 2135 K N 1.637 121.522 120.400 -0.859 0.000 2.057 2135 K HA -0.122 4.199 4.320 0.001 0.000 0.207 2135 K C 2.110 178.383 176.600 -0.545 0.000 1.049 2135 K CA 1.675 57.172 56.287 -1.317 0.000 0.931 2135 K CB -0.356 31.206 32.500 -1.563 0.000 0.714 2135 K HN 0.489 nan 8.250 nan 0.000 0.440 2136 N N -0.198 118.294 118.700 -0.346 0.000 2.223 2136 N HA -0.145 4.595 4.740 0.001 0.000 0.185 2136 N C 1.679 177.111 175.510 -0.130 0.000 1.016 2136 N CA 0.962 53.899 53.050 -0.189 0.000 0.863 2136 N CB 0.108 38.520 38.487 -0.125 0.000 0.983 2136 N HN -0.020 nan 8.380 nan 0.000 0.429 2137 V N 0.688 120.529 119.914 -0.123 0.000 2.295 2137 V HA -0.193 3.927 4.120 0.001 0.000 0.246 2137 V C 2.238 178.305 176.094 -0.045 0.000 1.049 2137 V CA 1.345 63.609 62.300 -0.060 0.000 1.024 2137 V CB -0.450 31.349 31.823 -0.040 0.000 0.648 2137 V HN 0.141 nan 8.190 nan 0.000 0.447 2138 V N 0.049 119.921 119.914 -0.070 0.000 2.392 2138 V HA -0.314 3.806 4.120 0.001 0.000 0.249 2138 V C 2.441 178.529 176.094 -0.011 0.000 1.059 2138 V CA 2.341 64.630 62.300 -0.019 0.000 1.051 2138 V CB -0.677 31.149 31.823 0.006 0.000 0.658 2138 V HN 0.695 nan 8.190 nan 0.000 0.455 2139 E N 0.423 120.593 120.200 -0.051 0.000 2.085 2139 E HA -0.269 4.081 4.350 0.001 0.000 0.194 2139 E C 2.263 178.890 176.600 0.046 0.000 0.994 2139 E CA 1.536 57.929 56.400 -0.011 0.000 0.801 2139 E CB -0.056 29.609 29.700 -0.058 0.000 0.743 2139 E HN 0.606 nan 8.360 nan 0.000 0.453 2140 K N 0.223 120.634 120.400 0.019 0.000 2.026 2140 K HA -0.151 4.170 4.320 0.001 0.000 0.208 2140 K C 2.354 179.028 176.600 0.122 0.000 1.048 2140 K CA 1.436 57.759 56.287 0.060 0.000 0.929 2140 K CB -0.224 32.288 32.500 0.020 0.000 0.713 2140 K HN 0.194 nan 8.250 nan 0.000 0.439 2141 L N 1.338 122.604 121.223 0.072 0.000 2.012 2141 L HA -0.243 4.098 4.340 0.001 0.000 0.210 2141 L C 2.436 179.349 176.870 0.071 0.000 1.073 2141 L CA 1.530 56.409 54.840 0.065 0.000 0.748 2141 L CB -0.394 41.689 42.059 0.040 0.000 0.891 2141 L HN 0.167 nan 8.230 nan 0.000 0.431 2142 K N -0.648 119.795 120.400 0.072 0.000 2.032 2142 K HA -0.233 4.088 4.320 0.001 0.000 0.209 2142 K C 2.104 178.747 176.600 0.072 0.000 1.048 2142 K CA 1.742 58.064 56.287 0.059 0.000 0.927 2142 K CB -0.399 32.138 32.500 0.060 0.000 0.712 2142 K HN 0.085 nan 8.250 nan 0.000 0.441 2143 F N 1.363 121.309 119.950 -0.006 0.000 2.154 2143 F HA -0.160 4.367 4.527 0.001 0.000 0.301 2143 F C 1.940 177.740 175.800 -0.000 0.000 1.087 2143 F CA 1.825 59.823 58.000 -0.004 0.000 1.274 2143 F CB -0.449 38.547 39.000 -0.007 0.000 1.009 2143 F HN 0.022 nan 8.300 nan 0.000 0.485 2144 G N -1.314 107.547 108.800 0.102 0.000 2.848 2144 G HA2 0.261 4.221 3.960 0.001 0.000 0.208 2144 G HA3 0.261 4.221 3.960 0.001 0.000 0.208 2144 G C 1.286 176.160 174.900 -0.043 0.000 1.152 2144 G CA 0.405 45.520 45.100 0.025 0.000 0.789 2144 G HN 1.012 nan 8.290 nan 0.000 0.531 2145 G N -1.636 107.128 108.800 -0.059 0.000 2.159 2145 G HA2 0.152 4.112 3.960 0.001 0.000 0.227 2145 G HA3 0.152 4.112 3.960 0.001 0.000 0.227 2145 G C 0.433 175.322 174.900 -0.019 0.000 0.986 2145 G CA 0.113 45.181 45.100 -0.053 0.000 0.651 2145 G HN 1.268 nan 8.290 nan 0.000 0.523 2146 A N -0.236 122.584 122.820 -0.001 0.000 2.388 2146 A HA 0.760 5.081 4.320 0.001 0.000 0.257 2146 A C 1.082 178.665 177.584 -0.002 0.000 1.095 2146 A CA 0.958 52.999 52.037 0.006 0.000 0.791 2146 A CB 0.540 19.551 19.000 0.018 0.000 1.029 2146 A HN 0.371 nan 8.150 nan 0.000 0.489 2147 K N 0.597 120.994 120.400 -0.006 0.000 2.344 2147 K HA 0.108 4.429 4.320 0.001 0.000 0.200 2147 K C 0.328 176.904 176.600 -0.040 0.000 1.132 2147 K CA 0.291 56.568 56.287 -0.016 0.000 0.935 2147 K CB 0.415 32.909 32.500 -0.011 0.000 1.089 2147 K HN 0.788 nan 8.250 nan 0.000 0.496 2148 E N 2.083 122.259 120.200 -0.041 0.000 2.046 2148 E HA 0.264 4.615 4.350 0.001 0.000 0.279 2148 E C -1.201 175.316 176.600 -0.139 0.000 0.989 2148 E CA -0.199 56.135 56.400 -0.109 0.000 0.798 2148 E CB 0.492 30.172 29.700 -0.033 0.000 1.086 2148 E HN 0.106 nan 8.360 nan 0.000 0.399 2149 I N 4.592 125.017 120.570 -0.243 0.000 2.465 2149 I HA 0.329 4.499 4.170 0.001 0.000 0.291 2149 I C -1.054 174.882 176.117 -0.302 0.000 1.014 2149 I CA -0.882 60.323 61.300 -0.158 0.000 1.093 2149 I CB 1.166 39.137 38.000 -0.048 0.000 1.267 2149 I HN 0.481 nan 8.210 nan 0.000 0.431 2150 Y N 5.603 125.908 120.300 0.007 0.000 2.485 2150 Y HA 0.652 5.202 4.550 0.001 0.000 0.345 2150 Y C -0.487 175.407 175.900 -0.011 0.000 0.998 2150 Y CA -0.828 57.268 58.100 -0.006 0.000 1.059 2150 Y CB 1.915 40.360 38.460 -0.025 0.000 1.234 2150 Y HN 0.270 nan 8.280 nan 0.000 0.461 2151 L N 2.553 123.866 121.223 0.150 0.000 2.356 2151 L HA 0.571 4.911 4.340 0.001 0.000 0.277 2151 L C -0.670 176.212 176.870 0.020 0.000 0.996 2151 L CA -0.544 54.337 54.840 0.068 0.000 0.822 2151 L CB 2.088 44.200 42.059 0.088 0.000 1.256 2151 L HN 0.650 nan 8.230 nan 0.000 0.413 2152 T N 1.307 115.824 114.554 -0.062 0.000 2.771 2152 T HA 0.238 4.588 4.350 0.001 0.000 0.281 2152 T C -0.343 174.260 174.700 -0.161 0.000 0.982 2152 T CA -0.429 61.593 62.100 -0.130 0.000 0.978 2152 T CB 1.611 70.323 68.868 -0.260 0.000 0.930 2152 T HN 0.414 nan 8.240 nan 0.000 0.447 2153 E N 2.600 122.732 120.200 -0.113 0.000 2.259 2153 E HA 0.321 4.671 4.350 0.001 0.000 0.281 2153 E C 0.372 176.854 176.600 -0.198 0.000 1.037 2153 E CA -0.582 55.751 56.400 -0.112 0.000 0.854 2153 E CB 0.450 30.153 29.700 0.005 0.000 1.051 2153 E HN 0.607 nan 8.360 nan 0.000 0.409 2154 R N 3.031 123.397 120.500 -0.223 0.000 2.582 2154 R HA 0.490 4.830 4.340 0.001 0.000 0.453 2154 R C 0.079 176.280 176.300 -0.166 0.000 0.969 2154 R CA -0.196 55.758 56.100 -0.244 0.000 1.113 2154 R CB 0.036 30.141 30.300 -0.326 0.000 1.507 2154 R HN 0.673 nan 8.270 nan 0.000 0.587 2155 G N 0.000 108.712 108.800 -0.148 0.000 2.690 2155 G HA2 -0.029 3.931 3.960 0.001 0.000 0.686 2155 G HA3 -0.029 3.931 3.960 0.001 0.000 0.686 2155 G C -0.850 173.980 174.900 -0.117 0.000 1.277 2155 G CA -0.420 44.608 45.100 -0.119 0.000 0.799 2155 G HN 0.217 nan 8.290 nan 0.000 0.613 2156 T N 0.960 115.464 114.554 -0.083 0.000 2.900 2156 T HA 0.667 5.017 4.350 0.001 0.000 0.295 2156 T C 0.448 175.173 174.700 0.041 0.000 1.044 2156 T CA -0.005 62.065 62.100 -0.049 0.000 0.995 2156 T CB 1.676 70.503 68.868 -0.068 0.000 1.072 2156 T HN 0.894 nan 8.240 nan 0.000 0.473 2157 T N 2.852 117.452 114.554 0.077 0.000 2.871 2157 T HA 0.186 4.537 4.350 0.001 0.000 0.296 2157 T C -0.746 174.066 174.700 0.188 0.000 0.998 2157 T CA 0.470 62.649 62.100 0.131 0.000 1.162 2157 T CB -0.394 68.552 68.868 0.131 0.000 0.947 2157 T HN 0.423 nan 8.240 nan 0.000 0.536 2158 F N 3.676 123.624 119.950 -0.005 0.000 2.824 2158 F HA 0.517 5.045 4.527 0.001 0.000 0.375 2158 F C 0.668 176.439 175.800 -0.048 0.000 1.190 2158 F CA 0.125 58.108 58.000 -0.030 0.000 1.180 2158 F CB -0.023 38.960 39.000 -0.028 0.000 1.477 2158 F HN 0.950 nan 8.300 nan 0.000 0.542 2159 G N 2.814 111.404 108.800 -0.350 0.000 2.645 2159 G HA2 -0.285 3.676 3.960 0.001 0.000 0.239 2159 G HA3 -0.285 3.676 3.960 0.001 0.000 0.239 2159 G C -1.344 173.419 174.900 -0.229 0.000 1.331 2159 G CA -0.399 44.434 45.100 -0.444 0.000 0.890 2159 G HN 0.517 nan 8.290 nan 0.000 0.572 2160 Y N 1.444 121.721 120.300 -0.038 0.000 2.310 2160 Y HA 0.472 5.023 4.550 0.001 0.000 0.326 2160 Y C 1.483 177.402 175.900 0.031 0.000 1.151 2160 Y CA -0.571 57.531 58.100 0.004 0.000 1.195 2160 Y CB 0.905 39.363 38.460 -0.002 0.000 1.210 2160 Y HN 0.657 nan 8.280 nan 0.000 0.483 2161 N N 1.706 120.544 118.700 0.231 0.000 2.721 2161 N HA -0.322 4.418 4.740 0.001 0.000 0.249 2161 N C -0.771 174.823 175.510 0.141 0.000 1.072 2161 N CA 1.031 54.174 53.050 0.155 0.000 0.710 2161 N CB -1.083 37.479 38.487 0.126 0.000 0.993 2161 N HN 0.894 nan 8.380 nan 0.000 0.547 2162 N N -0.390 118.402 118.700 0.153 0.000 2.504 2162 N HA 0.557 5.297 4.740 0.001 0.000 0.268 2162 N C -1.530 174.084 175.510 0.172 0.000 1.184 2162 N CA -0.540 52.605 53.050 0.160 0.000 0.875 2162 N CB 1.605 40.211 38.487 0.198 0.000 1.630 2162 N HN -0.015 nan 8.380 nan 0.000 0.486 2163 L N 1.838 123.137 121.223 0.126 0.000 2.388 2163 L HA 0.709 5.050 4.340 0.001 0.000 0.264 2163 L C -0.850 176.014 176.870 -0.010 0.000 0.998 2163 L CA -0.998 53.889 54.840 0.079 0.000 0.817 2163 L CB 2.118 44.201 42.059 0.040 0.000 1.338 2163 L HN 0.282 nan 8.230 nan 0.000 0.414 2164 V N 2.369 122.230 119.914 -0.089 0.000 2.823 2164 V HA 0.562 4.683 4.120 0.001 0.000 0.312 2164 V C -0.887 175.084 176.094 -0.204 0.000 1.072 2164 V CA -0.506 61.648 62.300 -0.244 0.000 0.937 2164 V CB 2.649 34.133 31.823 -0.566 0.000 1.013 2164 V HN 0.406 nan 8.190 nan 0.000 0.430 2165 V N 4.997 124.772 119.914 -0.232 0.000 2.350 2165 V HA 0.384 4.505 4.120 0.001 0.000 0.276 2165 V C -0.283 175.582 176.094 -0.382 0.000 1.028 2165 V CA -0.444 61.647 62.300 -0.349 0.000 0.860 2165 V CB 1.438 32.953 31.823 -0.512 0.000 0.990 2165 V HN 0.903 nan 8.190 nan 0.000 0.453 2166 D N 4.110 124.321 120.400 -0.315 0.000 2.441 2166 D HA 0.235 4.876 4.640 0.001 0.000 0.221 2166 D C 0.683 176.858 176.300 -0.208 0.000 1.156 2166 D CA -0.351 53.538 54.000 -0.185 0.000 0.896 2166 D CB 0.585 41.309 40.800 -0.127 0.000 1.028 2166 D HN 0.415 nan 8.370 nan 0.000 0.509 2167 F N 1.944 121.847 119.950 -0.079 0.000 2.664 2167 F HA -0.003 4.525 4.527 0.001 0.000 0.297 2167 F C 2.238 177.999 175.800 -0.064 0.000 1.164 2167 F CA 0.402 58.350 58.000 -0.087 0.000 1.472 2167 F CB 0.072 39.004 39.000 -0.114 0.000 1.108 2167 F HN 0.265 nan 8.300 nan 0.000 0.596 2168 R N -0.286 120.264 120.500 0.083 0.000 2.189 2168 R HA -0.121 4.219 4.340 0.001 0.000 0.223 2168 R C 2.456 178.774 176.300 0.030 0.000 1.092 2168 R CA 1.274 57.414 56.100 0.067 0.000 0.989 2168 R CB -0.486 29.866 30.300 0.087 0.000 0.876 2168 R HN 0.345 nan 8.270 nan 0.000 0.457 2169 S N 0.608 116.291 115.700 -0.027 0.000 2.402 2169 S HA -0.106 4.365 4.470 0.001 0.000 0.229 2169 S C 1.865 176.433 174.600 -0.054 0.000 1.021 2169 S CA 0.702 58.863 58.200 -0.064 0.000 0.974 2169 S CB -0.161 62.964 63.200 -0.125 0.000 0.800 2169 S HN 0.056 nan 8.310 nan 0.000 0.484 2170 L N 2.758 123.964 121.223 -0.028 0.000 1.970 2170 L HA 0.035 4.376 4.340 0.001 0.000 0.212 2170 L C -0.390 176.433 176.870 -0.079 0.000 1.071 2170 L CA 1.901 56.723 54.840 -0.031 0.000 0.751 2170 L CB -1.608 40.464 42.059 0.022 0.000 0.889 2170 L HN 0.289 nan 8.230 nan 0.000 0.432 2171 P HA -0.104 nan 4.420 nan 0.000 0.222 2171 P C 2.061 179.264 177.300 -0.161 0.000 1.153 2171 P CA 1.378 64.418 63.100 -0.100 0.000 0.798 2171 P CB 0.176 31.844 31.700 -0.053 0.000 0.796 2172 I N -0.509 119.982 120.570 -0.132 0.000 2.163 2172 I HA -0.186 3.985 4.170 0.001 0.000 0.240 2172 I C 2.693 178.487 176.117 -0.539 0.000 1.081 2172 I CA 1.534 62.717 61.300 -0.194 0.000 1.353 2172 I CB -0.558 37.470 38.000 0.046 0.000 1.054 2172 I HN -0.162 nan 8.210 nan 0.000 0.407 2173 M N 0.070 119.453 119.600 -0.361 0.000 2.374 2173 M HA -0.159 4.322 4.480 0.001 0.000 0.264 2173 M C 2.094 178.030 176.300 -0.607 0.000 1.067 2173 M CA 1.133 56.157 55.300 -0.461 0.000 1.103 2173 M CB -0.332 32.229 32.600 -0.065 0.000 1.402 2173 M HN -0.011 nan 8.290 nan 0.000 0.444 2174 K N 1.141 121.298 120.400 -0.404 0.000 2.360 2174 K HA -0.132 4.189 4.320 0.001 0.000 0.201 2174 K C 1.640 178.027 176.600 -0.355 0.000 1.046 2174 K CA 1.392 57.506 56.287 -0.289 0.000 0.945 2174 K CB -0.143 32.245 32.500 -0.187 0.000 0.750 2174 K HN 0.433 nan 8.250 nan 0.000 0.464 2175 Q N -1.208 118.225 119.800 -0.612 0.000 2.226 2175 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 2175 Q C 0.772 176.632 176.000 -0.233 0.000 0.975 2175 Q CA 1.693 57.211 55.803 -0.476 0.000 0.866 2175 Q CB -0.101 28.241 28.738 -0.661 0.000 0.915 2175 Q HN 0.651 nan 8.270 nan 0.000 0.440 2176 W N -2.036 119.269 121.300 0.009 0.000 2.714 2176 W HA 0.703 5.364 4.660 0.001 0.000 0.353 2176 W C 0.020 176.527 176.519 -0.021 0.000 0.999 2176 W CA -0.145 57.200 57.345 0.000 0.000 1.629 2176 W CB 0.395 29.862 29.460 0.012 0.000 1.106 2176 W HN -0.089 nan 8.180 nan 0.000 0.545 2177 A N 0.682 123.545 122.820 0.072 0.000 2.586 2177 A HA 0.602 4.922 4.320 0.001 0.000 0.290 2177 A C -1.035 176.521 177.584 -0.047 0.000 1.086 2177 A CA -1.251 50.807 52.037 0.036 0.000 0.665 2177 A CB 0.912 19.984 19.000 0.119 0.000 1.279 2177 A HN 0.011 nan 8.150 nan 0.000 0.423 2178 K N 0.259 120.599 120.400 -0.101 0.000 2.270 2178 K HA 0.521 4.842 4.320 0.001 0.000 0.276 2178 K C -0.900 175.733 176.600 0.055 0.000 1.023 2178 K CA -0.213 56.036 56.287 -0.063 0.000 0.955 2178 K CB 1.232 33.616 32.500 -0.195 0.000 0.975 2178 K HN 0.368 nan 8.250 nan 0.000 0.471 2179 V N 4.600 124.549 119.914 0.057 0.000 2.495 2179 V HA 0.349 4.470 4.120 0.001 0.000 0.298 2179 V C -0.281 175.851 176.094 0.063 0.000 1.031 2179 V CA -0.922 61.412 62.300 0.056 0.000 0.871 2179 V CB 1.424 33.248 31.823 0.003 0.000 0.988 2179 V HN 0.579 nan 8.190 nan 0.000 0.432 2180 I N 4.163 124.765 120.570 0.053 0.000 2.441 2180 I HA 0.374 4.545 4.170 0.001 0.000 0.295 2180 I C -0.776 175.379 176.117 0.064 0.000 0.994 2180 I CA -0.878 60.432 61.300 0.016 0.000 1.144 2180 I CB 1.688 39.657 38.000 -0.052 0.000 1.314 2180 I HN 0.679 nan 8.210 nan 0.000 0.445 2181 Y N 5.045 125.349 120.300 0.007 0.000 2.353 2181 Y HA 0.305 4.855 4.550 0.001 0.000 0.340 2181 Y C 0.032 175.965 175.900 0.056 0.000 0.972 2181 Y CA -0.908 57.208 58.100 0.028 0.000 1.157 2181 Y CB 0.694 39.222 38.460 0.113 0.000 1.157 2181 Y HN 0.499 nan 8.280 nan 0.000 0.495 2182 D N 5.294 125.290 120.400 -0.672 0.000 2.393 2182 D HA 0.216 4.856 4.640 0.001 0.000 0.232 2182 D C 0.654 176.471 176.300 -0.805 0.000 1.192 2182 D CA 0.380 54.060 54.000 -0.533 0.000 0.882 2182 D CB 1.217 41.691 40.800 -0.543 0.000 1.038 2182 D HN 0.809 nan 8.370 nan 0.000 0.499 2183 A N 2.994 125.507 122.820 -0.511 0.000 2.014 2183 A HA -0.114 4.207 4.320 0.001 0.000 0.218 2183 A C 2.022 179.582 177.584 -0.039 0.000 1.163 2183 A CA 1.784 53.669 52.037 -0.252 0.000 0.652 2183 A CB -0.312 18.751 19.000 0.105 0.000 0.808 2183 A HN 0.622 nan 8.150 nan 0.000 0.449 2184 T N -3.293 111.259 114.554 -0.003 0.000 2.866 2184 T HA -0.049 4.302 4.350 0.001 0.000 0.250 2184 T C 1.725 176.350 174.700 -0.126 0.000 1.033 2184 T CA 1.363 63.435 62.100 -0.046 0.000 1.145 2184 T CB -0.635 68.186 68.868 -0.080 0.000 0.866 2184 T HN 0.513 nan 8.240 nan 0.000 0.434 2185 H N 1.173 120.206 119.070 -0.062 0.000 2.495 2185 H HA 0.292 4.849 4.556 0.001 0.000 0.287 2185 H C 2.549 177.819 175.328 -0.096 0.000 1.033 2185 H CA 1.203 57.194 56.048 -0.094 0.000 1.307 2185 H CB -0.177 29.480 29.762 -0.175 0.000 1.401 2185 H HN 0.333 nan 8.280 nan 0.000 0.555 2186 S N 0.045 115.730 115.700 -0.025 0.000 2.447 2186 S HA -0.088 4.382 4.470 0.001 0.000 0.233 2186 S C 1.918 176.543 174.600 0.041 0.000 1.006 2186 S CA 1.120 59.308 58.200 -0.019 0.000 0.957 2186 S CB -0.052 63.135 63.200 -0.021 0.000 0.773 2186 S HN 0.471 nan 8.310 nan 0.000 0.507 2187 V N 0.193 120.147 119.914 0.066 0.000 3.578 2187 V HA 0.245 4.366 4.120 0.001 0.000 0.290 2187 V C 0.522 176.671 176.094 0.091 0.000 1.376 2187 V CA -0.504 61.863 62.300 0.111 0.000 1.083 2187 V CB -0.854 31.082 31.823 0.188 0.000 0.911 2187 V HN 0.488 nan 8.190 nan 0.000 0.433 2188 Q N 1.442 121.273 119.800 0.051 0.000 2.368 2188 Q HA 0.504 4.844 4.340 0.001 0.000 0.237 2188 Q C -0.862 175.180 176.000 0.070 0.000 0.987 2188 Q CA -0.465 55.365 55.803 0.045 0.000 0.896 2188 Q CB 1.362 30.111 28.738 0.019 0.000 1.241 2188 Q HN 0.551 nan 8.270 nan 0.000 0.485 2189 L N 2.691 123.959 121.223 0.074 0.000 2.324 2189 L HA 0.408 4.748 4.340 0.001 0.000 0.274 2189 L C -2.281 174.642 176.870 0.089 0.000 1.012 2189 L CA -2.460 52.432 54.840 0.087 0.000 0.859 2189 L CB 1.524 43.636 42.059 0.089 0.000 1.224 2189 L HN 0.551 nan 8.230 nan 0.000 0.429 2190 P HA -0.075 nan 4.420 nan 0.000 0.255 2190 P C 0.945 178.304 177.300 0.099 0.000 1.161 2190 P CA 0.740 63.910 63.100 0.117 0.000 0.768 2190 P CB 0.458 32.244 31.700 0.145 0.000 0.746 2191 G N 3.652 112.504 108.800 0.088 0.000 2.379 2191 G HA2 -0.292 3.668 3.960 0.001 0.000 0.297 2191 G HA3 -0.292 3.668 3.960 0.001 0.000 0.297 2191 G C 1.258 176.191 174.900 0.056 0.000 1.004 2191 G CA 0.293 45.432 45.100 0.066 0.000 0.921 2191 G HN 0.684 nan 8.290 nan 0.000 0.511 2192 G N -0.784 108.052 108.800 0.060 0.000 2.403 2192 G HA2 0.108 4.068 3.960 0.001 0.000 0.216 2192 G HA3 0.108 4.068 3.960 0.001 0.000 0.216 2192 G C 1.046 175.972 174.900 0.043 0.000 1.154 2192 G CA 0.622 45.755 45.100 0.056 0.000 0.784 2192 G HN 0.511 nan 8.290 nan 0.000 0.538 2193 L N 1.632 122.877 121.223 0.037 0.000 3.064 2193 L HA 0.321 4.662 4.340 0.001 0.000 0.233 2193 L C 1.635 178.520 176.870 0.024 0.000 1.333 2193 L CA 0.716 55.572 54.840 0.028 0.000 1.140 2193 L CB -0.892 41.181 42.059 0.023 0.000 1.519 2193 L HN 0.436 nan 8.230 nan 0.000 0.493 2194 G N 1.958 110.772 108.800 0.024 0.000 2.889 2194 G HA2 -0.367 3.594 3.960 0.001 0.000 0.308 2194 G HA3 -0.367 3.594 3.960 0.001 0.000 0.308 2194 G C 0.636 175.552 174.900 0.027 0.000 1.248 2194 G CA 0.380 45.492 45.100 0.019 0.000 0.982 2194 G HN 0.529 nan 8.290 nan 0.000 0.571 2195 D N 2.105 122.523 120.400 0.030 0.000 2.325 2195 D HA 0.233 4.873 4.640 0.001 0.000 0.234 2195 D C 0.596 176.926 176.300 0.050 0.000 1.122 2195 D CA 0.728 54.754 54.000 0.044 0.000 0.850 2195 D CB 0.117 40.950 40.800 0.054 0.000 0.921 2195 D HN 0.623 nan 8.370 nan 0.000 0.513 2196 K N -0.478 119.949 120.400 0.045 0.000 2.532 2196 K HA 0.341 4.661 4.320 0.001 0.000 0.265 2196 K C -1.085 175.544 176.600 0.049 0.000 0.948 2196 K CA -0.753 55.563 56.287 0.048 0.000 0.842 2196 K CB 2.311 34.834 32.500 0.037 0.000 1.392 2196 K HN -0.197 nan 8.250 nan 0.000 0.436 2197 S N 0.676 116.409 115.700 0.054 0.000 2.545 2197 S HA 0.360 4.830 4.470 0.001 0.000 0.275 2197 S C 0.296 174.921 174.600 0.042 0.000 1.299 2197 S CA -0.682 57.553 58.200 0.057 0.000 1.048 2197 S CB 1.306 64.546 63.200 0.067 0.000 0.938 2197 S HN 0.716 nan 8.310 nan 0.000 0.496 2198 G N 1.092 109.920 108.800 0.047 0.000 2.509 2198 G HA2 0.766 4.727 3.960 0.001 0.000 0.269 2198 G HA3 0.766 4.727 3.960 0.001 0.000 0.269 2198 G C 0.034 174.959 174.900 0.041 0.000 1.416 2198 G CA -0.291 44.834 45.100 0.041 0.000 1.052 2198 G HN 1.036 nan 8.290 nan 0.000 0.542 2199 G N -2.220 106.609 108.800 0.049 0.000 2.355 2199 G HA2 0.457 4.418 3.960 0.001 0.000 0.296 2199 G HA3 0.457 4.418 3.960 0.001 0.000 0.296 2199 G C -1.242 173.704 174.900 0.077 0.000 1.507 2199 G CA -0.847 44.288 45.100 0.058 0.000 0.823 2199 G HN 0.546 nan 8.290 nan 0.000 0.569 2200 M N 1.520 121.191 119.600 0.118 0.000 1.980 2200 M HA 0.324 4.805 4.480 0.001 0.000 0.282 2200 M C 1.217 177.552 176.300 0.057 0.000 0.878 2200 M CA -0.657 54.711 55.300 0.114 0.000 0.900 2200 M CB 2.049 34.849 32.600 0.333 0.000 1.577 2200 M HN 0.659 nan 8.290 nan 0.000 0.396 2201 R N 1.903 122.398 120.500 -0.008 0.000 2.159 2201 R HA -0.170 4.170 4.340 0.001 0.000 0.237 2201 R C 1.669 177.941 176.300 -0.048 0.000 1.131 2201 R CA 2.282 58.376 56.100 -0.010 0.000 0.982 2201 R CB 0.175 30.462 30.300 -0.021 0.000 0.868 2201 R HN 0.783 nan 8.270 nan 0.000 0.453 2202 E N -0.858 119.219 120.200 -0.205 0.000 2.333 2202 E HA -0.180 4.170 4.350 0.001 0.000 0.198 2202 E C 0.786 177.200 176.600 -0.310 0.000 1.007 2202 E CA 0.924 57.134 56.400 -0.316 0.000 0.845 2202 E CB -0.152 29.225 29.700 -0.538 0.000 0.766 2202 E HN 0.348 nan 8.360 nan 0.000 0.507 2203 F N 0.675 120.676 119.950 0.085 0.000 2.749 2203 F HA 0.311 4.838 4.527 0.001 0.000 0.300 2203 F C 1.805 177.691 175.800 0.144 0.000 1.103 2203 F CA -0.510 57.548 58.000 0.097 0.000 1.342 2203 F CB -0.063 38.986 39.000 0.082 0.000 1.098 2203 F HN -0.043 nan 8.300 nan 0.000 0.586 2204 I N -0.471 120.262 120.570 0.273 0.000 2.099 2204 I HA -0.374 3.796 4.170 0.001 0.000 0.239 2204 I C 2.556 178.888 176.117 0.358 0.000 1.066 2204 I CA 1.885 63.349 61.300 0.273 0.000 1.324 2204 I CB -0.560 37.542 38.000 0.172 0.000 1.037 2204 I HN 0.127 nan 8.210 nan 0.000 0.401 2205 F N 2.033 122.056 119.950 0.121 0.000 2.102 2205 F HA -0.169 4.359 4.527 0.001 0.000 0.298 2205 F C -0.361 175.501 175.800 0.104 0.000 1.105 2205 F CA 1.268 59.328 58.000 0.100 0.000 1.239 2205 F CB -1.068 37.965 39.000 0.056 0.000 0.991 2205 F HN 0.015 nan 8.300 nan 0.000 0.474 2206 P HA -0.213 nan 4.420 nan 0.000 0.216 2206 P C 1.717 179.034 177.300 0.028 0.000 1.153 2206 P CA 1.655 64.739 63.100 -0.026 0.000 0.858 2206 P CB -0.101 31.649 31.700 0.083 0.000 0.789 2207 L N -1.738 119.589 121.223 0.174 0.000 2.217 2207 L HA -0.087 4.254 4.340 0.001 0.000 0.211 2207 L C 2.350 179.291 176.870 0.118 0.000 1.107 2207 L CA 0.975 55.931 54.840 0.193 0.000 0.783 2207 L CB -0.649 41.640 42.059 0.384 0.000 0.919 2207 L HN -0.035 nan 8.230 nan 0.000 0.442 2208 I N -0.384 120.354 120.570 0.281 0.000 2.315 2208 I HA -0.250 3.920 4.170 0.001 0.000 0.248 2208 I C 2.720 178.904 176.117 0.112 0.000 1.117 2208 I CA 1.091 62.576 61.300 0.308 0.000 1.404 2208 I CB -0.249 38.010 38.000 0.432 0.000 1.071 2208 I HN 0.245 nan 8.210 nan 0.000 0.419 2209 R N 0.801 121.323 120.500 0.036 0.000 2.081 2209 R HA -0.119 4.222 4.340 0.001 0.000 0.235 2209 R C 2.467 178.667 176.300 -0.167 0.000 1.131 2209 R CA 1.474 57.528 56.100 -0.076 0.000 0.960 2209 R CB -0.497 29.684 30.300 -0.199 0.000 0.856 2209 R HN 0.338 nan 8.270 nan 0.000 0.436 2210 A N 1.634 124.284 122.820 -0.283 0.000 1.877 2210 A HA -0.143 4.178 4.320 0.001 0.000 0.216 2210 A C 2.452 179.689 177.584 -0.578 0.000 1.186 2210 A CA 1.792 53.495 52.037 -0.556 0.000 0.620 2210 A CB -0.743 17.686 19.000 -0.951 0.000 0.822 2210 A HN 0.392 nan 8.150 nan 0.000 0.443 2211 A N -0.077 122.487 122.820 -0.426 0.000 1.892 2211 A HA -0.098 4.223 4.320 0.001 0.000 0.218 2211 A C 2.339 179.888 177.584 -0.059 0.000 1.188 2211 A CA 2.701 54.640 52.037 -0.163 0.000 0.631 2211 A CB -1.358 17.485 19.000 -0.261 0.000 0.822 2211 A HN 1.199 nan 8.150 nan 0.000 0.447 2212 V N -2.746 117.157 119.914 -0.018 0.000 2.548 2212 V HA 0.073 4.193 4.120 0.001 0.000 0.249 2212 V C 2.492 178.624 176.094 0.063 0.000 1.055 2212 V CA 1.602 63.923 62.300 0.035 0.000 1.065 2212 V CB -1.372 30.447 31.823 -0.007 0.000 0.681 2212 V HN 0.515 nan 8.190 nan 0.000 0.462 2213 A N 0.518 123.331 122.820 -0.012 0.000 1.898 2213 A HA -0.028 4.293 4.320 0.001 0.000 0.216 2213 A C 2.358 179.986 177.584 0.072 0.000 1.181 2213 A CA 1.997 54.057 52.037 0.038 0.000 0.620 2213 A CB -0.749 18.204 19.000 -0.078 0.000 0.819 2213 A HN 0.414 nan 8.150 nan 0.000 0.442 2214 V N -0.831 119.034 119.914 -0.081 0.000 2.307 2214 V HA 0.235 4.356 4.120 0.001 0.000 0.245 2214 V C 1.341 177.312 176.094 -0.206 0.000 1.045 2214 V CA 1.452 63.696 62.300 -0.092 0.000 1.024 2214 V CB -1.213 30.548 31.823 -0.104 0.000 0.651 2214 V HN 1.276 nan 8.190 nan 0.000 0.449 2215 G N -0.467 108.125 108.800 -0.347 0.000 3.305 2215 G HA2 0.133 4.093 3.960 0.001 0.000 0.649 2215 G HA3 0.133 4.093 3.960 0.001 0.000 0.649 2215 G C -0.791 173.898 174.900 -0.352 0.000 1.255 2215 G CA -0.641 43.962 45.100 -0.828 0.000 1.137 2215 G HN 1.037 nan 8.290 nan 0.000 0.535 2216 C N 0.286 119.494 119.300 -0.153 0.000 3.323 2216 C HA 0.861 5.322 4.460 0.001 0.000 0.324 2216 C C 0.565 175.629 174.990 0.124 0.000 1.428 2216 C CA -0.483 58.546 59.018 0.017 0.000 1.368 2216 C CB 1.821 29.628 27.740 0.112 0.000 1.731 2216 C HN 0.637 nan 8.230 nan 0.000 0.455 2217 D N 0.306 120.723 120.400 0.028 0.000 2.350 2217 D HA 0.380 5.021 4.640 0.001 0.000 0.213 2217 D C 0.777 176.763 176.300 -0.523 0.000 1.031 2217 D CA 1.306 55.273 54.000 -0.056 0.000 0.861 2217 D CB 0.953 41.762 40.800 0.014 0.000 0.926 2217 D HN 1.064 nan 8.370 nan 0.000 0.520 2218 G N -0.321 108.115 108.800 -0.606 0.000 2.451 2218 G HA2 0.407 4.368 3.960 0.001 0.000 0.292 2218 G HA3 0.407 4.368 3.960 0.001 0.000 0.292 2218 G C -1.889 172.817 174.900 -0.323 0.000 1.427 2218 G CA -0.489 44.001 45.100 -1.016 0.000 0.792 2218 G HN -0.056 nan 8.290 nan 0.000 0.498 2219 V N 0.358 120.156 119.914 -0.193 0.000 2.709 2219 V HA 0.662 4.782 4.120 0.001 0.000 0.308 2219 V C -1.332 174.797 176.094 0.060 0.000 1.062 2219 V CA -0.683 61.684 62.300 0.111 0.000 0.901 2219 V CB 1.830 33.832 31.823 0.297 0.000 1.003 2219 V HN 0.795 nan 8.190 nan 0.000 0.425 2220 F N 7.302 127.193 119.950 -0.097 0.000 2.411 2220 F HA 0.824 5.352 4.527 0.001 0.000 0.352 2220 F C -0.224 175.520 175.800 -0.093 0.000 1.123 2220 F CA -0.837 57.091 58.000 -0.119 0.000 1.044 2220 F CB 1.285 40.194 39.000 -0.152 0.000 1.135 2220 F HN 0.537 nan 8.300 nan 0.000 0.461 2221 M N 4.504 123.987 119.600 -0.195 0.000 2.277 2221 M HA 0.533 5.014 4.480 0.001 0.000 0.282 2221 M C -1.843 174.310 176.300 -0.245 0.000 1.074 2221 M CA -0.644 54.597 55.300 -0.099 0.000 0.954 2221 M CB 2.290 34.876 32.600 -0.023 0.000 1.672 2221 M HN 0.477 nan 8.290 nan 0.000 0.471 2222 E N 1.530 121.634 120.200 -0.160 0.000 2.313 2222 E HA 0.610 4.960 4.350 0.001 0.000 0.272 2222 E C -0.639 175.902 176.600 -0.099 0.000 1.038 2222 E CA -0.480 55.819 56.400 -0.168 0.000 0.863 2222 E CB 2.119 31.767 29.700 -0.086 0.000 1.060 2222 E HN 0.703 nan 8.360 nan 0.000 0.402 2223 T N 0.932 115.433 114.554 -0.088 0.000 2.883 2223 T HA 0.284 4.634 4.350 0.001 0.000 0.301 2223 T C -1.841 172.883 174.700 0.040 0.000 1.158 2223 T CA -0.608 61.473 62.100 -0.031 0.000 1.007 2223 T CB 1.419 70.253 68.868 -0.057 0.000 1.186 2223 T HN 0.490 nan 8.240 nan 0.000 0.499 2224 H N 1.840 120.879 119.070 -0.050 0.000 3.079 2224 H HA 0.340 4.896 4.556 0.001 0.000 0.356 2224 H C -2.548 172.766 175.328 -0.024 0.000 1.221 2224 H CA -1.393 54.636 56.048 -0.032 0.000 1.185 2224 H CB 2.542 32.285 29.762 -0.031 0.000 1.882 2224 H HN 0.338 nan 8.280 nan 0.000 0.543 2225 P HA -0.060 nan 4.420 nan 0.000 0.216 2225 P C -0.641 176.761 177.300 0.170 0.000 1.150 2225 P CA 1.404 64.534 63.100 0.049 0.000 0.837 2225 P CB 0.423 32.099 31.700 -0.041 0.000 0.786 2226 E N -1.996 118.447 120.200 0.405 0.000 2.873 2226 E HA 0.169 4.519 4.350 0.001 0.000 0.232 2226 E C -2.218 174.377 176.600 -0.008 0.000 1.123 2226 E CA -1.788 54.712 56.400 0.167 0.000 0.809 2226 E CB 1.061 30.828 29.700 0.112 0.000 1.366 2226 E HN 0.058 nan 8.360 nan 0.000 0.400 2227 P HA -0.322 nan 4.420 nan 0.000 0.219 2227 P C 1.098 178.275 177.300 -0.205 0.000 1.161 2227 P CA 1.747 64.761 63.100 -0.144 0.000 0.909 2227 P CB 0.190 31.859 31.700 -0.051 0.000 0.793 2228 E N -0.151 119.975 120.200 -0.125 0.000 2.267 2228 E HA -0.180 4.171 4.350 0.001 0.000 0.197 2228 E C 1.468 177.986 176.600 -0.135 0.000 0.998 2228 E CA 1.255 57.592 56.400 -0.105 0.000 0.830 2228 E CB -0.784 28.879 29.700 -0.061 0.000 0.751 2228 E HN 0.271 nan 8.360 nan 0.000 0.491 2229 K N 0.515 120.803 120.400 -0.188 0.000 2.404 2229 K HA 0.279 4.600 4.320 0.001 0.000 0.194 2229 K C 0.323 176.752 176.600 -0.285 0.000 1.023 2229 K CA 0.211 56.392 56.287 -0.175 0.000 1.094 2229 K CB 0.460 32.909 32.500 -0.084 0.000 0.841 2229 K HN 0.161 nan 8.250 nan 0.000 0.523 2230 A N 1.333 123.854 122.820 -0.498 0.000 2.540 2230 A HA -0.005 4.316 4.320 0.001 0.000 0.239 2230 A C 1.014 178.477 177.584 -0.202 0.000 1.061 2230 A CA 0.128 51.881 52.037 -0.474 0.000 0.758 2230 A CB 0.012 18.753 19.000 -0.431 0.000 0.991 2230 A HN 0.295 nan 8.150 nan 0.000 0.502 2231 L N 1.577 122.702 121.223 -0.163 0.000 2.552 2231 L HA 0.070 4.411 4.340 0.001 0.000 0.227 2231 L C 1.072 177.952 176.870 0.016 0.000 1.146 2231 L CA 0.783 55.524 54.840 -0.165 0.000 0.858 2231 L CB -0.276 41.444 42.059 -0.565 0.000 0.969 2231 L HN 0.653 nan 8.230 nan 0.000 0.451 2232 S N -1.052 114.667 115.700 0.032 0.000 2.536 2232 S HA 0.289 4.759 4.470 0.001 0.000 0.271 2232 S C -0.686 173.928 174.600 0.024 0.000 1.134 2232 S CA -0.724 57.525 58.200 0.081 0.000 0.897 2232 S CB 1.204 64.500 63.200 0.160 0.000 1.094 2232 S HN 0.363 nan 8.310 nan 0.000 0.473 2233 D N 1.676 122.087 120.400 0.018 0.000 2.811 2233 D HA -0.217 4.424 4.640 0.001 0.000 0.231 2233 D C 1.223 177.491 176.300 -0.053 0.000 1.157 2233 D CA 1.017 55.003 54.000 -0.023 0.000 0.716 2233 D CB -1.080 39.686 40.800 -0.056 0.000 1.077 2233 D HN 0.678 nan 8.370 nan 0.000 0.428 2234 A N 0.812 123.599 122.820 -0.056 0.000 1.896 2234 A HA -0.204 4.116 4.320 0.001 0.000 0.220 2234 A C -0.101 177.442 177.584 -0.068 0.000 1.206 2234 A CA 1.871 53.856 52.037 -0.085 0.000 0.647 2234 A CB -1.343 17.608 19.000 -0.080 0.000 0.828 2234 A HN 0.395 nan 8.150 nan 0.000 0.455 2235 P HA -0.032 nan 4.420 nan 0.000 0.274 2235 P C 0.450 177.730 177.300 -0.032 0.000 1.370 2235 P CA 1.811 64.893 63.100 -0.030 0.000 0.760 2235 P CB -0.508 31.186 31.700 -0.010 0.000 1.308 2236 T N -5.983 108.539 114.554 -0.053 0.000 3.074 2236 T HA 0.349 4.699 4.350 0.001 0.000 0.258 2236 T C 0.830 175.495 174.700 -0.058 0.000 0.891 2236 T CA 0.147 62.213 62.100 -0.058 0.000 0.867 2236 T CB -0.370 68.437 68.868 -0.102 0.000 1.261 2236 T HN 0.099 nan 8.240 nan 0.000 0.537 2237 A N 2.016 124.800 122.820 -0.060 0.000 2.498 2237 A HA 0.627 4.947 4.320 0.001 0.000 0.239 2237 A C 0.082 177.653 177.584 -0.022 0.000 1.068 2237 A CA -0.237 51.777 52.037 -0.038 0.000 0.766 2237 A CB -0.138 18.854 19.000 -0.013 0.000 1.003 2237 A HN 0.584 nan 8.150 nan 0.000 0.497 2238 L N 3.470 124.681 121.223 -0.019 0.000 2.312 2238 L HA 0.319 4.659 4.340 0.001 0.000 0.281 2238 L C -2.060 174.806 176.870 -0.007 0.000 1.070 2238 L CA -1.961 52.868 54.840 -0.020 0.000 0.805 2238 L CB 1.516 43.554 42.059 -0.035 0.000 1.174 2238 L HN 0.448 nan 8.230 nan 0.000 0.434 2239 P HA 0.002 nan 4.420 nan 0.000 0.265 2239 P C 0.807 178.101 177.300 -0.009 0.000 1.193 2239 P CA 0.008 63.110 63.100 0.004 0.000 0.765 2239 P CB 0.638 32.335 31.700 -0.004 0.000 0.823 2240 L N 2.306 123.527 121.223 -0.004 0.000 2.081 2240 L HA -0.253 4.088 4.340 0.001 0.000 0.212 2240 L C 2.126 178.983 176.870 -0.021 0.000 1.080 2240 L CA 2.258 57.087 54.840 -0.020 0.000 0.754 2240 L CB -0.668 41.375 42.059 -0.026 0.000 0.893 2240 L HN 0.465 nan 8.230 nan 0.000 0.433 2241 S N -1.614 114.076 115.700 -0.017 0.000 2.474 2241 S HA -0.193 4.278 4.470 0.001 0.000 0.235 2241 S C 1.663 176.251 174.600 -0.021 0.000 0.997 2241 S CA 0.657 58.848 58.200 -0.015 0.000 0.949 2241 S CB -0.166 63.027 63.200 -0.011 0.000 0.766 2241 S HN 0.533 nan 8.310 nan 0.000 0.517 2242 Q N -0.054 119.725 119.800 -0.035 0.000 2.398 2242 Q HA 0.222 4.563 4.340 0.001 0.000 0.204 2242 Q C 1.515 177.463 176.000 -0.087 0.000 0.932 2242 Q CA 0.168 55.931 55.803 -0.067 0.000 0.916 2242 Q CB -0.272 28.416 28.738 -0.083 0.000 1.024 2242 Q HN 0.404 nan 8.270 nan 0.000 0.504 2243 L N 1.228 122.421 121.223 -0.049 0.000 1.990 2243 L HA -0.266 4.075 4.340 0.001 0.000 0.213 2243 L C 2.240 179.113 176.870 0.005 0.000 1.072 2243 L CA 1.915 56.737 54.840 -0.029 0.000 0.755 2243 L CB -0.703 41.362 42.059 0.010 0.000 0.889 2243 L HN 0.248 nan 8.230 nan 0.000 0.432 2244 E N -0.589 119.652 120.200 0.069 0.000 2.033 2244 E HA -0.252 4.099 4.350 0.001 0.000 0.199 2244 E C 2.198 178.875 176.600 0.128 0.000 1.011 2244 E CA 1.346 57.858 56.400 0.186 0.000 0.815 2244 E CB -0.461 29.330 29.700 0.152 0.000 0.755 2244 E HN 0.527 nan 8.360 nan 0.000 0.451 2245 G N 1.009 109.826 108.800 0.029 0.000 2.440 2245 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 2245 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 2245 G C 1.586 176.426 174.900 -0.099 0.000 1.154 2245 G CA 0.985 46.081 45.100 -0.007 0.000 0.767 2245 G HN 0.250 nan 8.290 nan 0.000 0.552 2246 I N 0.340 120.755 120.570 -0.258 0.000 2.315 2246 I HA -0.085 4.085 4.170 0.001 0.000 0.248 2246 I C 2.622 178.640 176.117 -0.165 0.000 1.117 2246 I CA 0.661 61.720 61.300 -0.401 0.000 1.404 2246 I CB -0.152 37.553 38.000 -0.492 0.000 1.071 2246 I HN 0.160 nan 8.210 nan 0.000 0.419 2247 I N 0.544 121.010 120.570 -0.172 0.000 2.252 2247 I HA -0.270 3.901 4.170 0.001 0.000 0.245 2247 I C 2.600 178.500 176.117 -0.362 0.000 1.102 2247 I CA 1.191 62.296 61.300 -0.324 0.000 1.385 2247 I CB -0.293 37.373 38.000 -0.557 0.000 1.064 2247 I HN 0.203 nan 8.210 nan 0.000 0.414 2248 E N 1.645 121.742 120.200 -0.171 0.000 2.058 2248 E HA -0.242 4.109 4.350 0.001 0.000 0.194 2248 E C 2.116 178.728 176.600 0.019 0.000 0.997 2248 E CA 1.955 58.375 56.400 0.034 0.000 0.801 2248 E CB -0.242 29.582 29.700 0.206 0.000 0.746 2248 E HN 0.413 nan 8.360 nan 0.000 0.450 2249 A N 1.226 124.082 122.820 0.061 0.000 1.883 2249 A HA -0.162 4.158 4.320 0.001 0.000 0.217 2249 A C 2.440 180.053 177.584 0.048 0.000 1.186 2249 A CA 1.930 54.042 52.037 0.125 0.000 0.624 2249 A CB -1.130 18.090 19.000 0.367 0.000 0.822 2249 A HN 0.569 nan 8.150 nan 0.000 0.444 2250 I N -2.427 118.144 120.570 0.002 0.000 2.226 2250 I HA -0.210 3.960 4.170 0.001 0.000 0.245 2250 I C 2.161 178.144 176.117 -0.225 0.000 1.100 2250 I CA 1.593 62.831 61.300 -0.105 0.000 1.374 2250 I CB -0.455 37.459 38.000 -0.143 0.000 1.057 2250 I HN 0.240 nan 8.210 nan 0.000 0.413 2251 L N 0.876 121.971 121.223 -0.213 0.000 2.046 2251 L HA -0.146 4.195 4.340 0.001 0.000 0.208 2251 L C 2.755 179.562 176.870 -0.104 0.000 1.077 2251 L CA 1.596 56.322 54.840 -0.191 0.000 0.747 2251 L CB -0.616 41.371 42.059 -0.119 0.000 0.896 2251 L HN 0.318 nan 8.230 nan 0.000 0.432 2252 E N 0.125 120.295 120.200 -0.050 0.000 2.072 2252 E HA -0.183 4.167 4.350 0.001 0.000 0.191 2252 E C 2.296 178.873 176.600 -0.039 0.000 0.985 2252 E CA 1.065 57.451 56.400 -0.023 0.000 0.801 2252 E CB -0.010 29.697 29.700 0.011 0.000 0.750 2252 E HN 0.478 nan 8.360 nan 0.000 0.452 2253 I N 0.756 121.299 120.570 -0.044 0.000 2.252 2253 I HA -0.244 3.927 4.170 0.001 0.000 0.245 2253 I C 2.748 178.834 176.117 -0.050 0.000 1.102 2253 I CA 0.835 62.111 61.300 -0.040 0.000 1.385 2253 I CB -0.197 37.782 38.000 -0.035 0.000 1.064 2253 I HN 0.026 nan 8.210 nan 0.000 0.414 2254 R N 0.928 121.374 120.500 -0.091 0.000 2.083 2254 R HA -0.232 4.109 4.340 0.001 0.000 0.237 2254 R C 2.295 178.521 176.300 -0.125 0.000 1.137 2254 R CA 1.658 57.707 56.100 -0.085 0.000 0.951 2254 R CB -0.278 29.892 30.300 -0.216 0.000 0.851 2254 R HN 0.280 nan 8.270 nan 0.000 0.434 2255 E N 0.198 120.332 120.200 -0.110 0.000 2.130 2255 E HA -0.164 4.187 4.350 0.001 0.000 0.196 2255 E C 1.779 178.309 176.600 -0.116 0.000 0.998 2255 E CA 1.621 57.960 56.400 -0.101 0.000 0.806 2255 E CB 0.107 29.770 29.700 -0.062 0.000 0.738 2255 E HN 0.258 nan 8.360 nan 0.000 0.459 2256 V N 0.072 119.934 119.914 -0.087 0.000 2.878 2256 V HA -0.008 4.113 4.120 0.001 0.000 0.250 2256 V C 2.155 178.215 176.094 -0.056 0.000 1.075 2256 V CA 1.226 63.490 62.300 -0.060 0.000 1.096 2256 V CB 0.055 31.872 31.823 -0.009 0.000 0.724 2256 V HN 0.262 nan 8.190 nan 0.000 0.467 2257 A N 0.567 123.332 122.820 -0.092 0.000 2.044 2257 A HA -0.037 4.284 4.320 0.001 0.000 0.213 2257 A C 2.430 179.666 177.584 -0.581 0.000 1.169 2257 A CA 1.191 53.183 52.037 -0.075 0.000 0.724 2257 A CB -0.417 18.627 19.000 0.074 0.000 0.840 2257 A HN 0.595 nan 8.150 nan 0.000 0.463 2258 S N 1.029 116.192 115.700 -0.895 0.000 2.392 2258 S HA -0.313 4.157 4.470 0.001 0.000 0.232 2258 S C 1.928 176.025 174.600 -0.838 0.000 1.041 2258 S CA 1.770 59.110 58.200 -1.434 0.000 1.026 2258 S CB -0.536 62.292 63.200 -0.619 0.000 0.845 2258 S HN 0.647 nan 8.310 nan 0.000 0.465 2259 K N 0.637 120.681 120.400 -0.594 0.000 2.113 2259 K HA -0.183 4.138 4.320 0.001 0.000 0.208 2259 K C 1.319 177.562 176.600 -0.596 0.000 1.047 2259 K CA 1.700 57.635 56.287 -0.587 0.000 0.928 2259 K CB -0.333 31.713 32.500 -0.757 0.000 0.716 2259 K HN 0.650 nan 8.250 nan 0.000 0.446 2260 Y N -0.580 119.608 120.300 -0.186 0.000 2.466 2260 Y HA 0.075 4.625 4.550 0.001 0.000 0.272 2260 Y C -0.052 175.893 175.900 0.075 0.000 1.169 2260 Y CA -0.892 57.177 58.100 -0.051 0.000 1.285 2260 Y CB 0.147 38.589 38.460 -0.030 0.000 1.078 2260 Y HN -0.108 nan 8.280 nan 0.000 0.523 2261 Y N 2.199 122.540 120.300 0.068 0.000 2.721 2261 Y HA 0.038 4.589 4.550 0.001 0.000 0.329 2261 Y C 0.634 176.553 175.900 0.032 0.000 1.211 2261 Y CA -1.019 57.108 58.100 0.046 0.000 1.512 2261 Y CB -0.199 38.276 38.460 0.025 0.000 1.249 2261 Y HN 0.112 nan 8.280 nan 0.000 0.549 2262 E N 1.173 121.484 120.200 0.185 0.000 2.384 2262 E HA 0.147 4.497 4.350 0.001 0.000 0.266 2262 E C 0.094 176.738 176.600 0.073 0.000 1.012 2262 E CA 0.007 56.466 56.400 0.099 0.000 0.901 2262 E CB 0.315 30.051 29.700 0.059 0.000 0.967 2262 E HN 0.475 nan 8.360 nan 0.000 0.435 2263 T N 2.851 117.436 114.554 0.052 0.000 2.828 2263 T HA 0.225 4.576 4.350 0.001 0.000 0.290 2263 T C 1.113 175.820 174.700 0.013 0.000 1.019 2263 T CA -0.668 61.453 62.100 0.035 0.000 1.031 2263 T CB 0.328 69.213 68.868 0.027 0.000 1.001 2263 T HN 0.643 nan 8.240 nan 0.000 0.531 2264 I N 0.000 120.572 120.570 0.003 0.000 2.984 2264 I HA 0.000 4.171 4.170 0.001 0.000 0.288 2264 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 2264 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 2264 I HN 0.000 nan 8.210 nan 0.000 0.494