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 1gw8_1_H DATA FIRST_RESID 2013 DATA SEQUENCE AALRNQQAMA ANLQARQIVL QQSYPVIQQV ETQTFDPANR SVFDVTPANV DATA SEQUENCE GIVKGFLVKV TAAITNNHAT EAVALTDFGP ANLVQRVIYY DPDNQRHTET DATA SEQUENCE SGWHLHFVNT AKQGAPFLSS MVTDSPIKYG DVMNVIDAPA TIAAGATGEL DATA SEQUENCE TMYYWVPLAY SETDLTGAVL ANVPQSKQRL KLEFANNNTA FAAVGANPLE DATA SEQUENCE AIYQGAGAAD CEFEEISYTV YQSYLDQLPV GQNGYILPLI DLSTLYNLEN DATA SEQUENCE SAQAGLTPNV DFVVQYANLY RYLSTIAVFD NGGSFNAGTD INYLSQRTAN DATA SEQUENCE FSDTRKLDPK TWAAQTRRRI ATDFPKGVYY CDNRDKPIYT LQYGNVGFVV DATA SEQUENCE NPKTVNQNAR LLMGYEYFTS RT 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 2013 A HA 0.000 nan 4.320 nan 0.000 0.244 2013 A C 0.000 177.588 177.584 0.007 0.000 1.274 2013 A CA 0.000 52.041 52.037 0.006 0.000 0.836 2013 A CB 0.000 19.004 19.000 0.006 0.000 0.831 2014 A N -0.333 122.491 122.820 0.008 0.000 4.029 2014 A HA -0.068 4.252 4.320 0.000 0.000 0.268 2014 A C 2.200 179.787 177.584 0.005 0.000 0.943 2014 A CA 3.035 55.077 52.037 0.008 0.000 1.137 2014 A CB -2.310 16.696 19.000 0.009 0.000 1.074 2014 A HN 2.546 nan 8.150 nan 0.000 0.854 2015 L N -2.130 119.096 121.223 0.004 0.000 2.341 2015 L HA 0.552 4.892 4.340 0.000 0.000 0.214 2015 L C 2.811 179.681 176.870 0.002 0.000 1.115 2015 L CA 2.439 57.281 54.840 0.002 0.000 0.820 2015 L CB -2.439 39.622 42.059 0.003 0.000 0.944 2015 L HN 1.496 nan 8.230 nan 0.000 0.452 2016 R N 0.436 120.938 120.500 0.003 0.000 2.092 2016 R HA -0.149 4.191 4.340 0.000 0.000 0.231 2016 R C 2.033 178.333 176.300 0.000 0.000 1.119 2016 R CA 1.616 57.717 56.100 0.002 0.000 0.970 2016 R CB -1.590 28.712 30.300 0.004 0.000 0.864 2016 R HN 0.853 nan 8.270 nan 0.000 0.440 2017 N N 0.093 118.793 118.700 0.000 0.000 2.300 2017 N HA -0.151 4.589 4.740 0.000 0.000 0.179 2017 N C 1.925 177.431 175.510 -0.007 0.000 1.016 2017 N CA 1.414 54.462 53.050 -0.004 0.000 0.876 2017 N CB -0.117 38.369 38.487 -0.002 0.000 0.979 2017 N HN 0.698 nan 8.380 nan 0.000 0.432 2018 Q N 1.062 120.859 119.800 -0.005 0.000 2.167 2018 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 2018 Q C 1.750 177.746 176.000 -0.007 0.000 0.970 2018 Q CA 1.179 56.978 55.803 -0.007 0.000 0.855 2018 Q CB 0.205 28.941 28.738 -0.004 0.000 0.911 2018 Q HN 0.428 nan 8.270 nan 0.000 0.438 2019 Q N -0.621 119.176 119.800 -0.005 0.000 2.096 2019 Q HA -0.050 4.290 4.340 0.000 0.000 0.197 2019 Q C 2.146 178.143 176.000 -0.006 0.000 0.964 2019 Q CA 0.983 56.784 55.803 -0.004 0.000 0.838 2019 Q CB -0.115 28.622 28.738 -0.001 0.000 0.906 2019 Q HN 0.436 nan 8.270 nan 0.000 0.444 2020 A N 1.241 124.057 122.820 -0.007 0.000 1.940 2020 A HA -0.200 4.120 4.320 0.000 0.000 0.219 2020 A C 2.118 179.692 177.584 -0.016 0.000 1.176 2020 A CA 1.341 53.373 52.037 -0.009 0.000 0.631 2020 A CB -0.441 18.554 19.000 -0.009 0.000 0.814 2020 A HN 0.248 nan 8.150 nan 0.000 0.446 2021 M N -0.705 118.884 119.600 -0.019 0.000 2.086 2021 M HA -0.152 4.328 4.480 0.000 0.000 0.261 2021 M C 2.577 178.864 176.300 -0.023 0.000 1.067 2021 M CA 1.722 57.006 55.300 -0.027 0.000 1.116 2021 M CB -1.196 31.388 32.600 -0.027 0.000 1.348 2021 M HN 0.504 nan 8.290 nan 0.000 0.407 2022 A N 0.097 122.908 122.820 -0.016 0.000 1.930 2022 A HA 0.038 4.358 4.320 0.000 0.000 0.217 2022 A C 2.388 179.966 177.584 -0.010 0.000 1.175 2022 A CA 1.871 53.901 52.037 -0.012 0.000 0.627 2022 A CB -0.788 18.207 19.000 -0.008 0.000 0.815 2022 A HN 0.491 nan 8.150 nan 0.000 0.443 2023 A N 0.297 123.112 122.820 -0.008 0.000 1.898 2023 A HA -0.199 4.121 4.320 0.000 0.000 0.216 2023 A C 2.084 179.664 177.584 -0.007 0.000 1.181 2023 A CA 1.661 53.695 52.037 -0.005 0.000 0.620 2023 A CB -0.699 18.300 19.000 -0.002 0.000 0.819 2023 A HN 0.672 nan 8.150 nan 0.000 0.442 2024 N N -0.054 118.637 118.700 -0.014 0.000 2.084 2024 N HA -0.165 4.575 4.740 0.000 0.000 0.190 2024 N C 1.802 177.298 175.510 -0.022 0.000 1.030 2024 N CA 1.817 54.854 53.050 -0.021 0.000 0.849 2024 N CB -0.240 38.227 38.487 -0.033 0.000 1.012 2024 N HN 0.336 nan 8.380 nan 0.000 0.423 2025 L N 1.963 123.172 121.223 -0.024 0.000 2.046 2025 L HA -0.124 4.216 4.340 0.000 0.000 0.208 2025 L C 2.627 179.489 176.870 -0.014 0.000 1.077 2025 L CA 1.621 56.448 54.840 -0.022 0.000 0.747 2025 L CB -0.998 41.048 42.059 -0.022 0.000 0.896 2025 L HN 0.279 nan 8.230 nan 0.000 0.432 2026 Q N -0.789 119.005 119.800 -0.010 0.000 2.050 2026 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 2026 Q C 2.124 178.123 176.000 -0.002 0.000 0.980 2026 Q CA 1.966 57.767 55.803 -0.005 0.000 0.840 2026 Q CB -0.211 28.526 28.738 -0.002 0.000 0.898 2026 Q HN 0.645 nan 8.270 nan 0.000 0.424 2027 A N 1.199 124.018 122.820 -0.002 0.000 1.933 2027 A HA -0.204 4.116 4.320 0.000 0.000 0.218 2027 A C 2.112 179.694 177.584 -0.004 0.000 1.175 2027 A CA 1.438 53.476 52.037 0.001 0.000 0.628 2027 A CB -0.677 18.326 19.000 0.005 0.000 0.814 2027 A HN 0.430 nan 8.150 nan 0.000 0.444 2028 R N -0.193 120.301 120.500 -0.010 0.000 2.083 2028 R HA -0.218 4.122 4.340 0.000 0.000 0.237 2028 R C 2.285 178.579 176.300 -0.009 0.000 1.137 2028 R CA 2.043 58.136 56.100 -0.012 0.000 0.951 2028 R CB -0.377 29.912 30.300 -0.017 0.000 0.851 2028 R HN 0.714 nan 8.270 nan 0.000 0.434 2029 Q N 0.130 119.925 119.800 -0.008 0.000 2.084 2029 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 2029 Q C 2.276 178.273 176.000 -0.005 0.000 0.978 2029 Q CA 1.803 57.602 55.803 -0.006 0.000 0.844 2029 Q CB -0.147 28.588 28.738 -0.005 0.000 0.898 2029 Q HN 0.447 nan 8.270 nan 0.000 0.426 2030 I N 0.074 120.643 120.570 -0.002 0.000 2.179 2030 I HA -0.261 3.909 4.170 0.000 0.000 0.242 2030 I C 2.260 178.376 176.117 -0.002 0.000 1.088 2030 I CA 0.844 62.145 61.300 0.001 0.000 1.357 2030 I CB -0.335 37.669 38.000 0.008 0.000 1.051 2030 I HN 0.046 nan 8.210 nan 0.000 0.409 2031 V N 1.205 121.115 119.914 -0.007 0.000 2.287 2031 V HA -0.286 3.834 4.120 0.000 0.000 0.248 2031 V C 2.409 178.494 176.094 -0.015 0.000 1.053 2031 V CA 1.832 64.122 62.300 -0.016 0.000 1.027 2031 V CB -0.459 31.350 31.823 -0.024 0.000 0.646 2031 V HN 0.367 nan 8.190 nan 0.000 0.447 2032 L N -0.735 120.481 121.223 -0.013 0.000 2.083 2032 L HA -0.183 4.157 4.340 0.000 0.000 0.209 2032 L C 2.731 179.593 176.870 -0.014 0.000 1.083 2032 L CA 1.298 56.130 54.840 -0.014 0.000 0.752 2032 L CB -0.582 41.470 42.059 -0.012 0.000 0.899 2032 L HN 0.334 nan 8.230 nan 0.000 0.433 2033 Q N -0.444 119.350 119.800 -0.010 0.000 2.123 2033 Q HA -0.136 4.204 4.340 0.000 0.000 0.199 2033 Q C 2.249 178.245 176.000 -0.007 0.000 0.966 2033 Q CA 1.171 56.969 55.803 -0.008 0.000 0.845 2033 Q CB -0.026 28.709 28.738 -0.005 0.000 0.907 2033 Q HN 0.520 nan 8.270 nan 0.000 0.439 2034 Q N 0.316 120.114 119.800 -0.004 0.000 2.204 2034 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 2034 Q C 1.186 177.184 176.000 -0.003 0.000 0.946 2034 Q CA 0.340 56.144 55.803 0.001 0.000 0.859 2034 Q CB 0.041 28.784 28.738 0.009 0.000 0.946 2034 Q HN 0.294 nan 8.270 nan 0.000 0.474 2035 S N -1.023 114.671 115.700 -0.011 0.000 2.608 2035 S HA 0.404 4.874 4.470 0.000 0.000 0.261 2035 S C -0.019 174.569 174.600 -0.020 0.000 1.314 2035 S CA -0.384 57.808 58.200 -0.014 0.000 0.992 2035 S CB 0.084 63.271 63.200 -0.022 0.000 0.935 2035 S HN 0.311 nan 8.310 nan 0.000 0.564 2036 Y N -0.229 120.056 120.300 -0.025 0.000 2.328 2036 Y HA 0.730 5.280 4.550 0.000 0.000 0.336 2036 Y C -2.854 172.995 175.900 -0.086 0.000 0.960 2036 Y CA -3.247 54.826 58.100 -0.044 0.000 1.134 2036 Y CB 0.978 39.419 38.460 -0.033 0.000 1.166 2036 Y HN 0.831 nan 8.280 nan 0.000 0.464 2037 P HA 0.449 nan 4.420 nan 0.000 0.276 2037 P C -0.841 176.327 177.300 -0.220 0.000 1.230 2037 P CA 0.250 63.261 63.100 -0.148 0.000 0.776 2037 P CB 2.167 33.805 31.700 -0.103 0.000 0.888 2038 V N 5.011 124.687 119.914 -0.396 0.000 2.760 2038 V HA 0.454 4.574 4.120 0.000 0.000 0.309 2038 V C 0.070 175.922 176.094 -0.403 0.000 1.077 2038 V CA -0.757 61.262 62.300 -0.469 0.000 0.910 2038 V CB 2.429 33.764 31.823 -0.812 0.000 1.008 2038 V HN 0.524 nan 8.190 nan 0.000 0.424 2039 I N 3.548 124.028 120.570 -0.151 0.000 2.418 2039 I HA 0.629 4.799 4.170 0.000 0.000 0.287 2039 I C -0.698 175.510 176.117 0.151 0.000 1.008 2039 I CA -0.023 61.293 61.300 0.027 0.000 1.104 2039 I CB 1.459 39.480 38.000 0.035 0.000 1.264 2039 I HN 0.836 nan 8.210 nan 0.000 0.438 2040 Q N 6.447 126.428 119.800 0.302 0.000 2.359 2040 Q HA 0.311 4.651 4.340 0.000 0.000 0.274 2040 Q C -1.378 174.840 176.000 0.363 0.000 1.074 2040 Q CA -0.774 55.236 55.803 0.345 0.000 0.810 2040 Q CB 2.210 31.152 28.738 0.340 0.000 1.342 2040 Q HN 0.735 nan 8.270 nan 0.000 0.427 2041 Q N 1.897 121.845 119.800 0.246 0.000 2.337 2041 Q HA 0.163 4.503 4.340 0.000 0.000 0.270 2041 Q C 0.136 176.138 176.000 0.002 0.000 1.002 2041 Q CA 0.157 55.889 55.803 -0.119 0.000 0.888 2041 Q CB 0.965 29.549 28.738 -0.255 0.000 1.222 2041 Q HN 0.641 nan 8.270 nan 0.000 0.400 2042 V N 0.064 119.976 119.914 -0.004 0.000 3.572 2042 V HA 0.415 4.535 4.120 0.000 0.000 0.260 2042 V C 0.112 176.223 176.094 0.028 0.000 1.324 2042 V CA 0.484 62.818 62.300 0.057 0.000 1.068 2042 V CB 0.331 32.233 31.823 0.132 0.000 0.837 2042 V HN 0.841 nan 8.190 nan 0.000 0.450 2043 E N -0.573 119.624 120.200 -0.005 0.000 2.400 2043 E HA 0.539 4.889 4.350 0.000 0.000 0.285 2043 E C -1.643 174.909 176.600 -0.081 0.000 1.005 2043 E CA -0.309 56.089 56.400 -0.002 0.000 0.816 2043 E CB 2.255 32.014 29.700 0.098 0.000 1.220 2043 E HN 0.231 nan 8.360 nan 0.000 0.426 2044 T N 2.989 117.428 114.554 -0.192 0.000 2.952 2044 T HA 0.468 4.818 4.350 0.000 0.000 0.305 2044 T C -1.252 173.158 174.700 -0.483 0.000 1.064 2044 T CA -0.691 61.193 62.100 -0.359 0.000 1.008 2044 T CB 1.703 70.436 68.868 -0.226 0.000 1.078 2044 T HN 0.385 nan 8.240 nan 0.000 0.459 2045 Q N 0.921 120.229 119.800 -0.821 0.000 2.391 2045 Q HA 0.539 4.879 4.340 0.000 0.000 0.279 2045 Q C -1.379 174.354 176.000 -0.446 0.000 1.028 2045 Q CA -0.797 54.648 55.803 -0.598 0.000 0.836 2045 Q CB 2.834 31.169 28.738 -0.671 0.000 1.414 2045 Q HN 0.580 nan 8.270 nan 0.000 0.397 2046 T N 2.617 117.059 114.554 -0.187 0.000 2.824 2046 T HA 0.764 5.114 4.350 0.000 0.000 0.282 2046 T C -1.033 173.684 174.700 0.028 0.000 0.993 2046 T CA -0.428 61.586 62.100 -0.144 0.000 0.967 2046 T CB 0.381 69.170 68.868 -0.131 0.000 0.960 2046 T HN 0.448 nan 8.240 nan 0.000 0.441 2047 F N -0.049 119.816 119.950 -0.142 0.000 2.685 2047 F HA 0.746 5.273 4.527 0.000 0.000 0.315 2047 F C -1.385 174.400 175.800 -0.027 0.000 1.126 2047 F CA -1.339 56.642 58.000 -0.032 0.000 0.950 2047 F CB 1.209 40.267 39.000 0.097 0.000 1.360 2047 F HN 0.294 nan 8.300 nan 0.000 0.469 2048 D N 1.910 122.420 120.400 0.183 0.000 2.329 2048 D HA 0.428 5.068 4.640 0.000 0.000 0.232 2048 D C -2.091 174.364 176.300 0.258 0.000 1.088 2048 D CA -2.585 51.469 54.000 0.091 0.000 0.835 2048 D CB 2.067 42.930 40.800 0.105 0.000 1.078 2048 D HN 0.218 nan 8.370 nan 0.000 0.495 2049 P HA -0.103 nan 4.420 nan 0.000 0.220 2049 P C 0.897 178.329 177.300 0.219 0.000 1.144 2049 P CA 1.067 64.317 63.100 0.250 0.000 0.800 2049 P CB 0.277 31.982 31.700 0.008 0.000 0.772 2050 A N -0.627 122.307 122.820 0.189 0.000 2.015 2050 A HA -0.183 4.137 4.320 0.000 0.000 0.219 2050 A C 2.064 179.722 177.584 0.122 0.000 1.163 2050 A CA 1.598 53.727 52.037 0.153 0.000 0.646 2050 A CB -0.927 18.154 19.000 0.134 0.000 0.806 2050 A HN 0.157 nan 8.150 nan 0.000 0.448 2051 N N -0.374 118.407 118.700 0.135 0.000 2.305 2051 N HA 0.039 4.779 4.740 0.000 0.000 0.179 2051 N C 0.576 176.122 175.510 0.060 0.000 1.019 2051 N CA 1.049 54.156 53.050 0.095 0.000 0.869 2051 N CB 0.075 38.624 38.487 0.103 0.000 1.000 2051 N HN 0.774 nan 8.380 nan 0.000 0.431 2052 R N -1.343 119.216 120.500 0.098 0.000 2.664 2052 R HA 0.437 4.777 4.340 0.000 0.000 0.266 2052 R C -0.539 175.767 176.300 0.011 0.000 1.046 2052 R CA -0.518 55.555 56.100 -0.046 0.000 0.885 2052 R CB 0.894 31.049 30.300 -0.242 0.000 1.254 2052 R HN -0.042 nan 8.270 nan 0.000 0.465 2053 S N -0.458 115.202 115.700 -0.067 0.000 2.744 2053 S HA 0.186 4.656 4.470 0.000 0.000 0.265 2053 S C -0.120 174.558 174.600 0.129 0.000 1.065 2053 S CA -0.166 58.110 58.200 0.127 0.000 1.191 2053 S CB 0.785 64.109 63.200 0.207 0.000 1.150 2053 S HN 0.242 nan 8.310 nan 0.000 0.646 2054 V N 2.985 122.791 119.914 -0.179 0.000 2.398 2054 V HA 0.660 4.780 4.120 0.000 0.000 0.286 2054 V C -1.203 174.620 176.094 -0.450 0.000 1.026 2054 V CA -0.427 61.781 62.300 -0.155 0.000 0.868 2054 V CB 0.801 32.533 31.823 -0.151 0.000 0.982 2054 V HN 0.398 nan 8.190 nan 0.000 0.443 2055 F N 1.636 121.517 119.950 -0.116 0.000 2.563 2055 F HA 0.539 5.066 4.527 0.000 0.000 0.316 2055 F C 0.112 175.832 175.800 -0.133 0.000 1.076 2055 F CA -0.861 57.070 58.000 -0.115 0.000 0.921 2055 F CB 2.079 41.020 39.000 -0.099 0.000 1.209 2055 F HN 0.394 nan 8.300 nan 0.000 0.462 2056 D N 2.413 122.842 120.400 0.050 0.000 2.471 2056 D HA 0.382 5.022 4.640 0.000 0.000 0.245 2056 D C -1.019 175.290 176.300 0.015 0.000 1.116 2056 D CA -0.109 53.882 54.000 -0.015 0.000 0.853 2056 D CB 2.549 43.317 40.800 -0.054 0.000 1.123 2056 D HN 0.107 nan 8.370 nan 0.000 0.540 2057 V N 2.179 122.075 119.914 -0.029 0.000 2.439 2057 V HA 0.259 4.379 4.120 0.000 0.000 0.282 2057 V C 0.601 176.668 176.094 -0.046 0.000 1.039 2057 V CA -0.254 62.037 62.300 -0.015 0.000 0.913 2057 V CB 1.741 33.531 31.823 -0.056 0.000 0.983 2057 V HN 0.462 nan 8.190 nan 0.000 0.460 2058 T N 7.217 121.767 114.554 -0.007 0.000 2.853 2058 T HA 0.371 4.721 4.350 0.000 0.000 0.317 2058 T C -2.130 172.585 174.700 0.026 0.000 1.059 2058 T CA -0.773 61.322 62.100 -0.008 0.000 0.954 2058 T CB 1.040 69.906 68.868 -0.002 0.000 0.994 2058 T HN 0.570 nan 8.240 nan 0.000 0.479 2059 P HA 0.458 nan 4.420 nan 0.000 0.275 2059 P C -0.533 176.824 177.300 0.094 0.000 1.266 2059 P CA -0.650 62.533 63.100 0.139 0.000 0.793 2059 P CB 0.684 32.581 31.700 0.328 0.000 1.074 2060 A N 1.006 123.871 122.820 0.074 0.000 2.371 2060 A HA 0.172 4.492 4.320 0.000 0.000 0.257 2060 A C 0.298 177.854 177.584 -0.047 0.000 1.089 2060 A CA -0.486 51.546 52.037 -0.009 0.000 0.794 2060 A CB -0.700 18.263 19.000 -0.061 0.000 1.029 2060 A HN 0.588 nan 8.150 nan 0.000 0.488 2061 N N 0.862 119.530 118.700 -0.053 0.000 3.083 2061 N HA 0.397 5.137 4.740 0.000 0.000 0.260 2061 N C -1.371 174.077 175.510 -0.102 0.000 1.163 2061 N CA -0.175 52.844 53.050 -0.051 0.000 1.060 2061 N CB 0.647 39.126 38.487 -0.014 0.000 1.345 2061 N HN 0.346 nan 8.380 nan 0.000 0.515 2062 V N 0.959 120.742 119.914 -0.218 0.000 2.483 2062 V HA 0.560 4.680 4.120 0.000 0.000 0.297 2062 V C 1.006 176.975 176.094 -0.210 0.000 1.027 2062 V CA -0.641 61.502 62.300 -0.262 0.000 0.855 2062 V CB 1.048 32.579 31.823 -0.486 0.000 0.995 2062 V HN 0.733 nan 8.190 nan 0.000 0.424 2063 G N 5.286 114.046 108.800 -0.067 0.000 2.602 2063 G HA2 -0.276 3.684 3.960 0.000 0.000 0.306 2063 G HA3 -0.276 3.684 3.960 0.000 0.000 0.306 2063 G C -0.082 174.807 174.900 -0.018 0.000 1.301 2063 G CA 0.501 45.586 45.100 -0.026 0.000 0.974 2063 G HN 0.787 nan 8.290 nan 0.000 0.547 2064 I N 0.768 121.349 120.570 0.019 0.000 2.304 2064 I HA 0.369 4.539 4.170 0.000 0.000 0.291 2064 I C 0.402 176.553 176.117 0.056 0.000 1.018 2064 I CA -0.689 60.622 61.300 0.019 0.000 1.260 2064 I CB 1.547 39.548 38.000 0.001 0.000 1.390 2064 I HN 0.296 nan 8.210 nan 0.000 0.475 2065 V N 7.611 127.532 119.914 0.012 0.000 2.461 2065 V HA 0.149 4.269 4.120 0.000 0.000 0.275 2065 V C 0.879 176.922 176.094 -0.084 0.000 1.047 2065 V CA -0.217 62.057 62.300 -0.042 0.000 0.955 2065 V CB 1.143 32.903 31.823 -0.105 0.000 0.988 2065 V HN 0.747 nan 8.190 nan 0.000 0.471 2066 K N 2.915 123.271 120.400 -0.074 0.000 2.276 2066 K HA 0.471 4.791 4.320 0.000 0.000 0.198 2066 K C 0.824 177.357 176.600 -0.112 0.000 1.052 2066 K CA 0.717 57.003 56.287 -0.002 0.000 0.984 2066 K CB 0.598 33.180 32.500 0.136 0.000 0.836 2066 K HN 0.921 nan 8.250 nan 0.000 0.490 2067 G N -0.172 108.347 108.800 -0.469 0.000 2.317 2067 G HA2 0.360 4.320 3.960 0.000 0.000 0.293 2067 G HA3 0.360 4.320 3.960 0.000 0.000 0.293 2067 G C -1.959 172.093 174.900 -1.414 0.000 1.287 2067 G CA -1.042 43.438 45.100 -1.034 0.000 0.850 2067 G HN -0.013 nan 8.290 nan 0.000 0.515 2068 F N -0.484 118.863 119.950 -1.004 0.000 2.547 2068 F HA 0.659 5.186 4.527 0.000 0.000 0.316 2068 F C -0.246 175.423 175.800 -0.218 0.000 1.121 2068 F CA -0.809 56.953 58.000 -0.398 0.000 0.911 2068 F CB 2.349 41.216 39.000 -0.221 0.000 1.179 2068 F HN 0.421 nan 8.300 nan 0.000 0.443 2069 L N 4.482 125.969 121.223 0.439 0.000 2.272 2069 L HA 0.716 5.056 4.340 0.000 0.000 0.289 2069 L C -1.046 176.165 176.870 0.568 0.000 1.032 2069 L CA -0.503 54.732 54.840 0.658 0.000 0.810 2069 L CB 1.104 43.584 42.059 0.702 0.000 1.205 2069 L HN 0.401 nan 8.230 nan 0.000 0.422 2070 V N 5.689 125.900 119.914 0.495 0.000 2.357 2070 V HA 0.394 4.514 4.120 0.000 0.000 0.284 2070 V C 0.060 176.332 176.094 0.296 0.000 1.018 2070 V CA -0.803 61.725 62.300 0.380 0.000 0.841 2070 V CB 1.158 33.141 31.823 0.266 0.000 0.991 2070 V HN 0.719 nan 8.190 nan 0.000 0.437 2071 K N 4.296 124.789 120.400 0.156 0.000 2.201 2071 K HA 0.692 5.012 4.320 0.000 0.000 0.278 2071 K C -1.337 175.242 176.600 -0.035 0.000 1.027 2071 K CA -0.365 55.748 56.287 -0.290 0.000 0.909 2071 K CB 1.535 33.901 32.500 -0.224 0.000 1.062 2071 K HN 0.502 nan 8.250 nan 0.000 0.465 2072 V N 3.500 123.372 119.914 -0.071 0.000 2.531 2072 V HA 0.358 4.478 4.120 0.000 0.000 0.301 2072 V C -0.297 175.809 176.094 0.021 0.000 1.034 2072 V CA -0.841 61.520 62.300 0.103 0.000 0.865 2072 V CB 1.629 33.639 31.823 0.312 0.000 0.995 2072 V HN 1.013 nan 8.190 nan 0.000 0.424 2073 T N 1.265 115.821 114.554 0.004 0.000 2.924 2073 T HA 0.971 5.321 4.350 0.000 0.000 0.291 2073 T C -0.489 174.215 174.700 0.006 0.000 1.045 2073 T CA -0.471 61.636 62.100 0.010 0.000 1.015 2073 T CB 2.342 71.207 68.868 -0.006 0.000 1.103 2073 T HN 1.431 nan 8.240 nan 0.000 0.496 2074 A N 0.485 123.346 122.820 0.068 0.000 2.612 2074 A HA 0.909 5.229 4.320 0.000 0.000 0.293 2074 A C -1.061 176.607 177.584 0.140 0.000 1.075 2074 A CA -0.756 51.353 52.037 0.120 0.000 0.680 2074 A CB 1.185 20.370 19.000 0.309 0.000 1.279 2074 A HN 1.721 nan 8.150 nan 0.000 0.411 2075 A N 1.116 124.025 122.820 0.149 0.000 2.330 2075 A HA 0.773 5.093 4.320 0.000 0.000 0.313 2075 A C -0.907 176.743 177.584 0.110 0.000 1.124 2075 A CA -0.270 51.824 52.037 0.094 0.000 0.774 2075 A CB 0.404 19.431 19.000 0.045 0.000 1.198 2075 A HN 0.765 nan 8.150 nan 0.000 0.465 2076 I N 1.947 122.527 120.570 0.017 0.000 2.436 2076 I HA 0.374 4.544 4.170 0.000 0.000 0.289 2076 I C -0.279 175.741 176.117 -0.163 0.000 1.010 2076 I CA -0.244 60.994 61.300 -0.103 0.000 1.098 2076 I CB 2.571 40.475 38.000 -0.159 0.000 1.266 2076 I HN 0.560 nan 8.210 nan 0.000 0.434 2077 T N 4.233 118.677 114.554 -0.184 0.000 2.797 2077 T HA 0.241 4.591 4.350 0.000 0.000 0.279 2077 T C -0.184 174.357 174.700 -0.265 0.000 0.991 2077 T CA -0.559 61.432 62.100 -0.181 0.000 0.979 2077 T CB 1.005 69.806 68.868 -0.110 0.000 0.943 2077 T HN 0.410 nan 8.240 nan 0.000 0.444 2078 N N 2.907 121.459 118.700 -0.245 0.000 2.500 2078 N HA 0.139 4.879 4.740 0.000 0.000 0.236 2078 N C 0.411 175.836 175.510 -0.142 0.000 1.022 2078 N CA -0.454 52.448 53.050 -0.247 0.000 0.935 2078 N CB 0.255 38.605 38.487 -0.228 0.000 1.147 2078 N HN 0.396 nan 8.380 nan 0.000 0.512 2079 N N 1.422 120.044 118.700 -0.130 0.000 2.461 2079 N HA -0.085 4.655 4.740 0.000 0.000 0.188 2079 N C -0.160 175.316 175.510 -0.057 0.000 1.134 2079 N CA 0.084 53.083 53.050 -0.086 0.000 0.878 2079 N CB -0.148 38.286 38.487 -0.089 0.000 0.972 2079 N HN 0.647 nan 8.380 nan 0.000 0.456 2080 H N 0.460 119.462 119.070 -0.114 0.000 2.897 2080 H HA 0.159 4.715 4.556 0.000 0.000 0.347 2080 H C 1.285 176.574 175.328 -0.065 0.000 1.068 2080 H CA 0.325 56.322 56.048 -0.084 0.000 1.426 2080 H CB 1.028 30.739 29.762 -0.085 0.000 1.410 2080 H HN 0.102 nan 8.280 nan 0.000 0.597 2081 A N 2.750 125.386 122.820 -0.306 0.000 1.930 2081 A HA -0.138 4.182 4.320 0.000 0.000 0.217 2081 A C 1.975 179.578 177.584 0.031 0.000 1.175 2081 A CA 2.110 54.071 52.037 -0.127 0.000 0.627 2081 A CB -0.470 18.419 19.000 -0.184 0.000 0.815 2081 A HN 0.872 nan 8.150 nan 0.000 0.443 2082 T N -4.830 109.866 114.554 0.238 0.000 3.010 2082 T HA 0.194 4.544 4.350 0.000 0.000 0.253 2082 T C 0.294 175.075 174.700 0.135 0.000 0.939 2082 T CA -0.224 61.983 62.100 0.177 0.000 0.910 2082 T CB 0.114 69.059 68.868 0.128 0.000 1.226 2082 T HN 0.214 nan 8.240 nan 0.000 0.508 2083 E N 1.685 121.966 120.200 0.134 0.000 2.242 2083 E HA 0.731 5.081 4.350 0.000 0.000 0.275 2083 E C -0.275 176.241 176.600 -0.139 0.000 1.002 2083 E CA -0.461 55.848 56.400 -0.151 0.000 0.841 2083 E CB 1.951 31.389 29.700 -0.437 0.000 1.109 2083 E HN 0.528 nan 8.360 nan 0.000 0.394 2084 A N 1.617 124.375 122.820 -0.103 0.000 2.239 2084 A HA 0.687 5.007 4.320 0.000 0.000 0.303 2084 A C -0.114 177.420 177.584 -0.083 0.000 1.114 2084 A CA -0.543 51.445 52.037 -0.081 0.000 0.871 2084 A CB 0.761 19.735 19.000 -0.043 0.000 1.201 2084 A HN 0.400 nan 8.150 nan 0.000 0.506 2085 V N -4.024 115.858 119.914 -0.054 0.000 3.078 2085 V HA 0.943 5.063 4.120 0.000 0.000 0.311 2085 V C -0.241 175.940 176.094 0.144 0.000 1.138 2085 V CA -0.322 61.994 62.300 0.027 0.000 1.007 2085 V CB 1.108 32.944 31.823 0.022 0.000 1.045 2085 V HN 1.893 nan 8.190 nan 0.000 0.432 2086 A N 2.613 125.573 122.820 0.233 0.000 2.413 2086 A HA 0.861 5.181 4.320 0.000 0.000 0.307 2086 A C -0.582 177.127 177.584 0.208 0.000 1.087 2086 A CA -0.986 51.198 52.037 0.245 0.000 0.750 2086 A CB 1.494 20.555 19.000 0.103 0.000 1.296 2086 A HN 1.089 nan 8.150 nan 0.000 0.423 2087 L N 1.826 123.062 121.223 0.021 0.000 2.514 2087 L HA 0.164 4.504 4.340 0.000 0.000 0.280 2087 L C 1.504 178.277 176.870 -0.160 0.000 1.223 2087 L CA 0.073 54.722 54.840 -0.319 0.000 0.864 2087 L CB 0.560 42.467 42.059 -0.253 0.000 1.118 2087 L HN 1.005 nan 8.230 nan 0.000 0.494 2088 T N -1.953 112.481 114.554 -0.200 0.000 2.770 2088 T HA 0.080 4.430 4.350 0.000 0.000 0.281 2088 T C 0.747 175.372 174.700 -0.125 0.000 0.981 2088 T CA -0.760 61.243 62.100 -0.162 0.000 0.955 2088 T CB 0.751 69.491 68.868 -0.214 0.000 1.060 2088 T HN 0.506 nan 8.240 nan 0.000 0.531 2089 D N -0.270 120.031 120.400 -0.166 0.000 2.178 2089 D HA -0.003 4.637 4.640 0.000 0.000 0.201 2089 D C 1.535 177.999 176.300 0.274 0.000 0.980 2089 D CA 1.029 55.026 54.000 -0.005 0.000 0.842 2089 D CB -0.224 40.524 40.800 -0.085 0.000 0.948 2089 D HN 0.467 nan 8.370 nan 0.000 0.472 2090 F N 0.186 120.079 119.950 -0.095 0.000 2.473 2090 F HA 0.243 4.770 4.527 0.000 0.000 0.294 2090 F C 2.188 177.945 175.800 -0.071 0.000 1.103 2090 F CA 0.449 58.430 58.000 -0.032 0.000 1.442 2090 F CB -0.942 38.015 39.000 -0.072 0.000 1.097 2090 F HN -0.022 nan 8.300 nan 0.000 0.547 2091 G N 2.627 111.459 108.800 0.053 0.000 2.672 2091 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 2091 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 2091 G C -1.118 173.762 174.900 -0.033 0.000 1.286 2091 G CA 0.555 45.603 45.100 -0.087 0.000 1.004 2091 G HN 0.209 nan 8.290 nan 0.000 0.548 2092 P HA 0.020 nan 4.420 nan 0.000 0.225 2092 P C 1.654 178.960 177.300 0.011 0.000 1.148 2092 P CA 2.407 65.516 63.100 0.015 0.000 0.779 2092 P CB -0.394 31.307 31.700 0.001 0.000 0.780 2093 A N 0.091 122.874 122.820 -0.061 0.000 2.121 2093 A HA -0.106 4.214 4.320 0.000 0.000 0.218 2093 A C 1.862 179.570 177.584 0.207 0.000 1.154 2093 A CA 1.059 53.049 52.037 -0.079 0.000 0.679 2093 A CB -1.017 17.818 19.000 -0.275 0.000 0.795 2093 A HN 0.129 nan 8.150 nan 0.000 0.458 2094 N N -0.329 118.495 118.700 0.207 0.000 2.314 2094 N HA 0.174 4.914 4.740 0.000 0.000 0.200 2094 N C 1.099 176.747 175.510 0.230 0.000 1.135 2094 N CA 0.092 53.288 53.050 0.242 0.000 0.835 2094 N CB 0.043 38.659 38.487 0.216 0.000 0.989 2094 N HN 0.479 nan 8.380 nan 0.000 0.478 2095 L N -0.278 121.114 121.223 0.283 0.000 2.141 2095 L HA -0.019 4.321 4.340 0.000 0.000 0.209 2095 L C 0.349 177.397 176.870 0.296 0.000 1.094 2095 L CA 0.825 55.861 54.840 0.327 0.000 0.763 2095 L CB 0.174 42.448 42.059 0.359 0.000 0.908 2095 L HN -0.112 nan 8.230 nan 0.000 0.437 2096 V N 0.049 120.060 119.914 0.161 0.000 2.370 2096 V HA 0.116 4.236 4.120 0.000 0.000 0.283 2096 V C 0.560 176.549 176.094 -0.174 0.000 1.023 2096 V CA -0.515 61.641 62.300 -0.240 0.000 0.857 2096 V CB 1.653 33.019 31.823 -0.762 0.000 0.985 2096 V HN 0.189 nan 8.190 nan 0.000 0.443 2097 Q N 3.507 123.218 119.800 -0.148 0.000 2.089 2097 Q HA 0.208 4.548 4.340 0.000 0.000 0.195 2097 Q C 0.551 176.452 176.000 -0.166 0.000 0.963 2097 Q CA 1.043 56.803 55.803 -0.071 0.000 0.834 2097 Q CB 0.420 29.153 28.738 -0.009 0.000 0.906 2097 Q HN 0.588 nan 8.270 nan 0.000 0.452 2098 R N -0.559 119.795 120.500 -0.243 0.000 2.668 2098 R HA 0.581 4.921 4.340 0.000 0.000 0.272 2098 R C -1.431 174.674 176.300 -0.325 0.000 1.019 2098 R CA -0.437 55.510 56.100 -0.256 0.000 0.894 2098 R CB 2.495 32.698 30.300 -0.162 0.000 1.228 2098 R HN -0.158 nan 8.270 nan 0.000 0.460 2099 V N 3.625 123.352 119.914 -0.313 0.000 2.588 2099 V HA 0.598 4.718 4.120 0.000 0.000 0.304 2099 V C -0.861 175.094 176.094 -0.231 0.000 1.042 2099 V CA -0.777 61.333 62.300 -0.317 0.000 0.877 2099 V CB 1.943 33.544 31.823 -0.370 0.000 0.996 2099 V HN 0.538 nan 8.190 nan 0.000 0.425 2100 I N 4.654 125.106 120.570 -0.197 0.000 2.569 2100 I HA 0.485 4.655 4.170 0.000 0.000 0.290 2100 I C -1.137 174.876 176.117 -0.174 0.000 1.088 2100 I CA -0.512 60.677 61.300 -0.184 0.000 1.047 2100 I CB 2.001 39.925 38.000 -0.126 0.000 1.237 2100 I HN 0.649 nan 8.210 nan 0.000 0.421 2101 Y N 6.007 126.085 120.300 -0.370 0.000 2.429 2101 Y HA 0.718 5.268 4.550 0.000 0.000 0.342 2101 Y C -1.734 173.901 175.900 -0.443 0.000 1.004 2101 Y CA -0.878 57.030 58.100 -0.320 0.000 1.075 2101 Y CB 1.397 39.698 38.460 -0.265 0.000 1.214 2101 Y HN 0.471 nan 8.280 nan 0.000 0.455 2102 Y N 4.147 123.883 120.300 -0.939 0.000 2.391 2102 Y HA 0.295 4.845 4.550 0.000 0.000 0.341 2102 Y C -0.262 175.055 175.900 -0.972 0.000 0.965 2102 Y CA -1.131 56.597 58.100 -0.620 0.000 1.067 2102 Y CB 1.301 39.566 38.460 -0.326 0.000 1.199 2102 Y HN 0.720 nan 8.280 nan 0.000 0.450 2103 D N 2.476 122.697 120.400 -0.298 0.000 2.433 2103 D HA 0.240 4.880 4.640 0.000 0.000 0.255 2103 D C -2.190 174.097 176.300 -0.021 0.000 1.226 2103 D CA -2.191 51.741 54.000 -0.113 0.000 1.015 2103 D CB 0.307 41.216 40.800 0.182 0.000 1.091 2103 D HN 0.163 nan 8.370 nan 0.000 0.527 2104 P HA -0.084 nan 4.420 nan 0.000 0.219 2104 P C 0.122 177.441 177.300 0.031 0.000 1.146 2104 P CA 1.104 64.219 63.100 0.026 0.000 0.808 2104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 2105 D N -1.891 118.546 120.400 0.061 0.000 2.328 2105 D HA 0.019 4.659 4.640 0.000 0.000 0.226 2105 D C 0.333 176.669 176.300 0.061 0.000 1.066 2105 D CA 0.191 54.226 54.000 0.059 0.000 0.861 2105 D CB -1.029 39.817 40.800 0.077 0.000 0.912 2105 D HN 0.209 nan 8.370 nan 0.000 0.521 2106 N N 0.365 119.101 118.700 0.060 0.000 2.782 2106 N HA -0.245 4.495 4.740 0.000 0.000 0.251 2106 N C -0.224 175.404 175.510 0.197 0.000 1.101 2106 N CA 0.076 53.171 53.050 0.076 0.000 0.764 2106 N CB -0.413 38.072 38.487 -0.004 0.000 1.122 2106 N HN 0.135 nan 8.380 nan 0.000 0.561 2107 Q N 1.610 121.528 119.800 0.197 0.000 2.261 2107 Q HA 0.269 4.609 4.340 0.000 0.000 0.252 2107 Q C -0.241 175.891 176.000 0.220 0.000 0.915 2107 Q CA -0.282 55.637 55.803 0.194 0.000 0.915 2107 Q CB 0.904 29.725 28.738 0.138 0.000 1.204 2107 Q HN 0.260 nan 8.270 nan 0.000 0.421 2108 R N 3.720 124.273 120.500 0.089 0.000 2.438 2108 R HA 0.193 4.533 4.340 0.000 0.000 0.287 2108 R C -0.106 176.167 176.300 -0.044 0.000 1.077 2108 R CA 0.063 56.042 56.100 -0.201 0.000 1.034 2108 R CB 0.415 30.557 30.300 -0.263 0.000 0.993 2108 R HN 0.876 nan 8.270 nan 0.000 0.459 2109 H N 1.030 120.016 119.070 -0.140 0.000 4.873 2109 H HA 0.148 4.704 4.556 0.000 0.000 0.150 2109 H C 0.037 175.262 175.328 -0.173 0.000 1.395 2109 H CA -0.461 55.545 56.048 -0.071 0.000 0.838 2109 H CB 0.135 29.941 29.762 0.073 0.000 1.471 2109 H HN 0.442 nan 8.280 nan 0.000 0.374 2110 T N 1.792 116.323 114.554 -0.039 0.000 2.928 2110 T HA 0.011 4.361 4.350 0.000 0.000 0.305 2110 T C 0.250 174.857 174.700 -0.154 0.000 1.035 2110 T CA 0.608 62.608 62.100 -0.168 0.000 1.145 2110 T CB 0.241 68.971 68.868 -0.229 0.000 0.963 2110 T HN 0.368 nan 8.240 nan 0.000 0.545 2111 E N 2.393 122.512 120.200 -0.135 0.000 2.649 2111 E HA 0.335 4.685 4.350 0.000 0.000 0.310 2111 E C -0.998 175.547 176.600 -0.092 0.000 1.036 2111 E CA -0.328 55.999 56.400 -0.120 0.000 0.772 2111 E CB 1.101 30.750 29.700 -0.085 0.000 1.513 2111 E HN 0.665 nan 8.360 nan 0.000 0.384 2112 T N 0.471 114.939 114.554 -0.143 0.000 2.671 2112 T HA 0.407 4.757 4.350 0.000 0.000 0.300 2112 T C -0.897 173.645 174.700 -0.263 0.000 1.238 2112 T CA -0.171 61.838 62.100 -0.153 0.000 1.020 2112 T CB 1.211 70.051 68.868 -0.046 0.000 1.503 2112 T HN 0.356 nan 8.240 nan 0.000 0.497 2113 S N -0.066 115.392 115.700 -0.403 0.000 2.610 2113 S HA 0.495 4.965 4.470 0.000 0.000 0.273 2113 S C 1.603 175.893 174.600 -0.516 0.000 1.274 2113 S CA 0.014 57.891 58.200 -0.537 0.000 1.023 2113 S CB 0.931 63.517 63.200 -1.023 0.000 0.962 2113 S HN 1.063 nan 8.310 nan 0.000 0.523 2114 G N 1.303 109.874 108.800 -0.381 0.000 2.418 2114 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 2114 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 2114 G C 1.316 176.178 174.900 -0.064 0.000 1.158 2114 G CA 0.778 45.709 45.100 -0.281 0.000 0.771 2114 G HN 0.960 nan 8.290 nan 0.000 0.545 2115 W N 0.209 121.456 121.300 -0.088 0.000 2.363 2115 W HA -0.055 4.605 4.660 0.000 0.000 0.296 2115 W C 1.797 178.003 176.519 -0.522 0.000 1.212 2115 W CA 0.878 57.978 57.345 -0.409 0.000 1.260 2115 W CB -1.088 28.100 29.460 -0.454 0.000 1.131 2115 W HN 0.425 nan 8.180 nan 0.000 0.530 2116 H N 1.169 119.822 119.070 -0.695 0.000 2.326 2116 H HA -0.177 4.379 4.556 0.000 0.000 0.301 2116 H C 2.366 177.568 175.328 -0.209 0.000 1.081 2116 H CA 1.759 57.549 56.048 -0.430 0.000 1.334 2116 H CB -0.095 29.222 29.762 -0.741 0.000 1.385 2116 H HN 0.104 nan 8.280 nan 0.000 0.504 2117 L N 1.034 122.015 121.223 -0.403 0.000 2.042 2117 L HA -0.207 4.133 4.340 0.000 0.000 0.210 2117 L C 2.540 179.305 176.870 -0.174 0.000 1.076 2117 L CA 2.428 57.069 54.840 -0.331 0.000 0.749 2117 L CB -1.153 40.774 42.059 -0.219 0.000 0.893 2117 L HN 0.371 nan 8.230 nan 0.000 0.432 2118 H N -1.065 117.919 119.070 -0.143 0.000 2.353 2118 H HA -0.183 4.373 4.556 0.000 0.000 0.300 2118 H C 1.930 177.233 175.328 -0.042 0.000 1.090 2118 H CA 2.222 58.183 56.048 -0.144 0.000 1.327 2118 H CB -0.547 29.106 29.762 -0.182 0.000 1.383 2118 H HN 0.468 nan 8.280 nan 0.000 0.508 2119 F N -0.767 119.089 119.950 -0.156 0.000 2.216 2119 F HA -0.156 4.371 4.527 0.000 0.000 0.300 2119 F C 2.509 178.255 175.800 -0.089 0.000 1.085 2119 F CA 0.540 58.499 58.000 -0.069 0.000 1.326 2119 F CB -0.033 38.960 39.000 -0.011 0.000 1.027 2119 F HN 0.083 nan 8.300 nan 0.000 0.497 2120 V N 0.249 120.162 119.914 -0.001 0.000 2.453 2120 V HA -0.282 3.838 4.120 0.000 0.000 0.247 2120 V C 1.639 177.672 176.094 -0.101 0.000 1.048 2120 V CA 1.952 64.230 62.300 -0.036 0.000 1.049 2120 V CB -0.783 30.951 31.823 -0.149 0.000 0.672 2120 V HN 0.377 nan 8.190 nan 0.000 0.457 2121 N N -0.266 118.278 118.700 -0.260 0.000 2.104 2121 N HA -0.184 4.556 4.740 0.000 0.000 0.190 2121 N C 1.839 177.201 175.510 -0.247 0.000 1.024 2121 N CA 1.791 54.556 53.050 -0.474 0.000 0.853 2121 N CB -0.209 37.549 38.487 -1.215 0.000 1.008 2121 N HN 0.412 nan 8.380 nan 0.000 0.424 2122 T N 0.601 115.044 114.554 -0.185 0.000 2.708 2122 T HA -0.102 4.248 4.350 0.000 0.000 0.266 2122 T C 2.067 176.732 174.700 -0.059 0.000 1.037 2122 T CA 1.219 63.286 62.100 -0.055 0.000 1.146 2122 T CB -0.342 68.469 68.868 -0.095 0.000 0.865 2122 T HN 0.333 nan 8.240 nan 0.000 0.435 2123 A N 1.643 124.439 122.820 -0.041 0.000 1.908 2123 A HA -0.157 4.163 4.320 0.000 0.000 0.218 2123 A C 2.206 179.781 177.584 -0.015 0.000 1.181 2123 A CA 1.695 53.674 52.037 -0.097 0.000 0.627 2123 A CB -0.424 18.485 19.000 -0.151 0.000 0.818 2123 A HN 0.477 nan 8.150 nan 0.000 0.445 2124 K N -0.960 119.437 120.400 -0.004 0.000 2.296 2124 K HA -0.084 4.236 4.320 0.000 0.000 0.200 2124 K C 2.225 178.812 176.600 -0.021 0.000 1.048 2124 K CA 1.138 57.416 56.287 -0.015 0.000 0.966 2124 K CB -0.032 32.434 32.500 -0.057 0.000 0.754 2124 K HN 0.695 nan 8.250 nan 0.000 0.466 2125 Q N -0.045 119.759 119.800 0.007 0.000 2.212 2125 Q HA -0.063 4.277 4.340 0.000 0.000 0.199 2125 Q C 0.769 176.760 176.000 -0.016 0.000 0.950 2125 Q CA 1.215 57.029 55.803 0.018 0.000 0.863 2125 Q CB 0.378 29.179 28.738 0.104 0.000 0.944 2125 Q HN 0.389 nan 8.270 nan 0.000 0.465 2126 G N -0.525 108.257 108.800 -0.029 0.000 2.141 2126 G HA2 -0.143 3.817 3.960 0.000 0.000 0.231 2126 G HA3 -0.143 3.817 3.960 0.000 0.000 0.231 2126 G C -0.059 174.799 174.900 -0.069 0.000 0.984 2126 G CA 0.163 45.236 45.100 -0.044 0.000 0.660 2126 G HN 0.832 nan 8.290 nan 0.000 0.525 2127 A N -1.319 121.457 122.820 -0.074 0.000 2.567 2127 A HA 0.785 5.105 4.320 0.000 0.000 0.291 2127 A C -3.152 174.395 177.584 -0.061 0.000 1.048 2127 A CA -0.691 51.294 52.037 -0.087 0.000 0.661 2127 A CB 0.619 19.580 19.000 -0.066 0.000 1.288 2127 A HN 0.171 nan 8.150 nan 0.000 0.424 2128 P HA 0.124 nan 4.420 nan 0.000 0.258 2128 P C -0.361 176.999 177.300 0.101 0.000 1.172 2128 P CA 0.536 63.646 63.100 0.017 0.000 0.762 2128 P CB -0.135 31.577 31.700 0.020 0.000 0.764 2129 F N 5.804 125.749 119.950 -0.008 0.000 2.580 2129 F HA -0.058 4.469 4.527 0.000 0.000 0.398 2129 F C 1.142 176.960 175.800 0.031 0.000 1.023 2129 F CA 0.344 58.351 58.000 0.012 0.000 1.188 2129 F CB -0.462 38.565 39.000 0.046 0.000 1.005 2129 F HN 0.271 nan 8.300 nan 0.000 0.546 2130 L N 3.563 124.447 121.223 -0.564 0.000 3.839 2130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 2130 L C 0.613 177.338 176.870 -0.241 0.000 1.195 2130 L CA 0.552 55.070 54.840 -0.538 0.000 0.946 2130 L CB -2.381 39.204 42.059 -0.789 0.000 1.891 2130 L HN 0.720 nan 8.230 nan 0.000 0.963 2131 S N -1.865 113.756 115.700 -0.131 0.000 2.632 2131 S HA 0.533 5.003 4.470 0.000 0.000 0.267 2131 S C 0.301 174.854 174.600 -0.078 0.000 1.276 2131 S CA -0.059 58.101 58.200 -0.067 0.000 0.998 2131 S CB 2.196 65.381 63.200 -0.024 0.000 0.953 2131 S HN 0.270 nan 8.310 nan 0.000 0.547 2132 S N 1.876 117.546 115.700 -0.050 0.000 2.438 2132 S HA 0.454 4.924 4.470 0.000 0.000 0.316 2132 S C -0.050 174.529 174.600 -0.034 0.000 1.084 2132 S CA -1.015 57.159 58.200 -0.043 0.000 1.107 2132 S CB -0.389 62.797 63.200 -0.024 0.000 0.981 2132 S HN 0.783 nan 8.310 nan 0.000 0.466 2133 M N 4.302 123.875 119.600 -0.046 0.000 2.242 2133 M HA 0.562 5.042 4.480 0.000 0.000 0.344 2133 M C -0.905 175.377 176.300 -0.030 0.000 1.140 2133 M CA -0.441 54.834 55.300 -0.042 0.000 1.160 2133 M CB 0.606 33.171 32.600 -0.058 0.000 1.491 2133 M HN 0.248 nan 8.290 nan 0.000 0.459 2134 V N 2.854 122.755 119.914 -0.022 0.000 2.439 2134 V HA 0.584 4.704 4.120 0.000 0.000 0.282 2134 V C 0.496 176.580 176.094 -0.017 0.000 1.039 2134 V CA -0.137 62.157 62.300 -0.011 0.000 0.913 2134 V CB 1.132 32.953 31.823 -0.004 0.000 0.983 2134 V HN 1.110 nan 8.190 nan 0.000 0.460 2135 T N -0.222 114.327 114.554 -0.010 0.000 2.804 2135 T HA 0.352 4.702 4.350 0.000 0.000 0.290 2135 T C 0.267 174.969 174.700 0.004 0.000 1.099 2135 T CA -0.249 61.843 62.100 -0.015 0.000 1.011 2135 T CB 1.892 70.737 68.868 -0.039 0.000 1.291 2135 T HN 0.622 nan 8.240 nan 0.000 0.523 2136 D N -0.158 120.243 120.400 0.002 0.000 2.328 2136 D HA 0.079 4.719 4.640 0.000 0.000 0.226 2136 D C 0.639 176.954 176.300 0.026 0.000 1.066 2136 D CA -0.193 53.813 54.000 0.011 0.000 0.861 2136 D CB -0.347 40.456 40.800 0.005 0.000 0.912 2136 D HN 0.384 nan 8.370 nan 0.000 0.521 2137 S N 1.810 117.534 115.700 0.041 0.000 2.525 2137 S HA 0.090 4.560 4.470 0.000 0.000 0.285 2137 S C -1.045 173.608 174.600 0.088 0.000 1.283 2137 S CA -0.929 57.321 58.200 0.082 0.000 1.072 2137 S CB 1.014 64.308 63.200 0.156 0.000 0.867 2137 S HN 0.098 nan 8.310 nan 0.000 0.492 2138 P HA 0.071 nan 4.420 nan 0.000 0.225 2138 P C 0.138 177.455 177.300 0.029 0.000 1.156 2138 P CA 0.309 63.432 63.100 0.039 0.000 0.787 2138 P CB -0.031 31.684 31.700 0.025 0.000 0.802 2139 I N 1.112 121.713 120.570 0.052 0.000 2.648 2139 I HA -0.023 4.147 4.170 0.000 0.000 0.284 2139 I C 1.361 177.426 176.117 -0.087 0.000 1.153 2139 I CA 0.294 61.567 61.300 -0.044 0.000 1.426 2139 I CB 0.192 38.161 38.000 -0.052 0.000 1.381 2139 I HN -0.271 nan 8.210 nan 0.000 0.571 2140 K N 6.507 126.799 120.400 -0.179 0.000 3.233 2140 K HA 0.080 4.400 4.320 0.000 0.000 0.283 2140 K C -0.724 175.781 176.600 -0.157 0.000 1.209 2140 K CA 0.003 56.213 56.287 -0.129 0.000 1.197 2140 K CB -0.540 31.902 32.500 -0.096 0.000 1.431 2140 K HN 0.385 nan 8.250 nan 0.000 0.326 2141 Y N 0.349 120.638 120.300 -0.020 0.000 2.281 2141 Y HA 0.318 4.868 4.550 0.000 0.000 0.337 2141 Y C 1.542 177.428 175.900 -0.023 0.000 1.304 2141 Y CA 0.543 58.628 58.100 -0.025 0.000 1.465 2141 Y CB 0.940 39.383 38.460 -0.028 0.000 1.350 2141 Y HN 0.428 nan 8.280 nan 0.000 0.575 2142 G N 0.162 109.055 108.800 0.155 0.000 2.302 2142 G HA2 -0.053 3.907 3.960 0.000 0.000 0.264 2142 G HA3 -0.053 3.907 3.960 0.000 0.000 0.264 2142 G C -1.774 173.150 174.900 0.039 0.000 1.335 2142 G CA -0.827 44.317 45.100 0.074 0.000 0.982 2142 G HN 0.530 nan 8.290 nan 0.000 0.473 2143 D N 0.577 120.990 120.400 0.022 0.000 2.517 2143 D HA 0.453 5.093 4.640 0.000 0.000 0.220 2143 D C 1.386 177.692 176.300 0.011 0.000 1.158 2143 D CA 0.086 54.094 54.000 0.012 0.000 0.992 2143 D CB 0.709 41.516 40.800 0.012 0.000 1.058 2143 D HN 0.250 nan 8.370 nan 0.000 0.516 2144 V N 2.831 122.750 119.914 0.008 0.000 2.685 2144 V HA -0.028 4.092 4.120 0.000 0.000 0.244 2144 V C 1.857 177.953 176.094 0.003 0.000 1.054 2144 V CA 0.789 63.090 62.300 0.002 0.000 1.076 2144 V CB -0.126 31.694 31.823 -0.005 0.000 0.725 2144 V HN 0.558 nan 8.190 nan 0.000 0.467 2145 M N -0.468 119.133 119.600 0.001 0.000 2.371 2145 M HA 0.293 4.773 4.480 0.000 0.000 0.246 2145 M C 0.362 176.675 176.300 0.021 0.000 1.103 2145 M CA 0.070 55.373 55.300 0.006 0.000 1.010 2145 M CB -0.588 32.006 32.600 -0.009 0.000 1.457 2145 M HN 0.378 nan 8.290 nan 0.000 0.486 2146 N N 1.194 119.906 118.700 0.020 0.000 2.699 2146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 2146 N C 1.030 176.578 175.510 0.063 0.000 0.993 2146 N CA 0.275 53.347 53.050 0.037 0.000 0.759 2146 N CB -1.227 37.288 38.487 0.045 0.000 0.906 2146 N HN 0.155 nan 8.380 nan 0.000 0.541 2147 V N -0.220 119.714 119.914 0.034 0.000 2.287 2147 V HA -0.113 4.007 4.120 0.000 0.000 0.248 2147 V C 1.410 177.606 176.094 0.170 0.000 1.053 2147 V CA 1.564 63.897 62.300 0.055 0.000 1.027 2147 V CB 0.014 31.751 31.823 -0.143 0.000 0.646 2147 V HN 0.410 nan 8.190 nan 0.000 0.447 2148 I N 0.488 121.108 120.570 0.084 0.000 2.410 2148 I HA 0.485 4.655 4.170 0.000 0.000 0.286 2148 I C -1.130 175.024 176.117 0.061 0.000 1.009 2148 I CA -0.299 61.060 61.300 0.098 0.000 1.111 2148 I CB 1.726 39.766 38.000 0.067 0.000 1.262 2148 I HN 0.231 nan 8.210 nan 0.000 0.443 2149 D N 5.488 125.929 120.400 0.068 0.000 2.736 2149 D HA 0.800 5.440 4.640 0.000 0.000 0.223 2149 D C -1.590 174.754 176.300 0.073 0.000 1.231 2149 D CA -0.319 53.718 54.000 0.062 0.000 0.818 2149 D CB 2.320 43.158 40.800 0.064 0.000 1.587 2149 D HN 0.675 nan 8.370 nan 0.000 0.463 2150 A N 2.578 125.444 122.820 0.077 0.000 2.532 2150 A HA 0.625 4.945 4.320 0.000 0.000 0.296 2150 A C -2.821 174.842 177.584 0.131 0.000 1.058 2150 A CA -1.152 50.955 52.037 0.116 0.000 0.729 2150 A CB 1.401 20.452 19.000 0.086 0.000 1.285 2150 A HN 0.434 nan 8.150 nan 0.000 0.396 2151 P HA 0.311 nan 4.420 nan 0.000 0.268 2151 P C 0.976 178.403 177.300 0.212 0.000 1.204 2151 P CA 0.447 63.642 63.100 0.158 0.000 0.768 2151 P CB 1.323 33.097 31.700 0.123 0.000 0.842 2152 A N 3.509 126.410 122.820 0.136 0.000 1.978 2152 A HA -0.026 4.294 4.320 0.000 0.000 0.220 2152 A C 1.101 178.801 177.584 0.192 0.000 1.170 2152 A CA 1.867 53.978 52.037 0.123 0.000 0.636 2152 A CB -0.923 18.121 19.000 0.073 0.000 0.810 2152 A HN 0.736 nan 8.150 nan 0.000 0.448 2153 T N -3.720 110.941 114.554 0.179 0.000 2.883 2153 T HA 0.679 5.029 4.350 0.000 0.000 0.301 2153 T C -0.861 173.866 174.700 0.045 0.000 1.158 2153 T CA -0.626 61.564 62.100 0.150 0.000 1.007 2153 T CB 1.515 70.425 68.868 0.069 0.000 1.186 2153 T HN 0.177 nan 8.240 nan 0.000 0.499 2154 I N 1.692 122.214 120.570 -0.080 0.000 2.439 2154 I HA 0.576 4.746 4.170 0.000 0.000 0.283 2154 I C 0.659 176.698 176.117 -0.130 0.000 1.023 2154 I CA -1.144 60.049 61.300 -0.179 0.000 1.100 2154 I CB 1.467 39.221 38.000 -0.410 0.000 1.238 2154 I HN 1.030 nan 8.210 nan 0.000 0.445 2155 A N 4.658 127.429 122.820 -0.082 0.000 2.327 2155 A HA 0.700 5.020 4.320 0.000 0.000 0.255 2155 A C 0.625 178.170 177.584 -0.066 0.000 1.099 2155 A CA -0.246 51.756 52.037 -0.059 0.000 0.801 2155 A CB 0.396 19.375 19.000 -0.035 0.000 1.062 2155 A HN 0.836 nan 8.150 nan 0.000 0.496 2156 A N -0.352 122.446 122.820 -0.037 0.000 2.548 2156 A HA 0.467 4.787 4.320 0.000 0.000 0.247 2156 A C 1.600 179.166 177.584 -0.030 0.000 1.067 2156 A CA 0.858 52.886 52.037 -0.014 0.000 0.757 2156 A CB -1.090 17.927 19.000 0.029 0.000 0.996 2156 A HN 2.736 nan 8.150 nan 0.000 0.504 2157 G N 0.899 109.673 108.800 -0.044 0.000 2.199 2157 G HA2 0.122 4.082 3.960 0.000 0.000 0.254 2157 G HA3 0.122 4.082 3.960 0.000 0.000 0.254 2157 G C 0.581 175.447 174.900 -0.058 0.000 0.982 2157 G CA 0.591 45.662 45.100 -0.049 0.000 0.632 2157 G HN 2.159 nan 8.290 nan 0.000 0.529 2158 A N -0.493 122.284 122.820 -0.071 0.000 2.264 2158 A HA 0.845 5.165 4.320 0.000 0.000 0.304 2158 A C 0.276 177.802 177.584 -0.096 0.000 1.100 2158 A CA 0.704 52.698 52.037 -0.072 0.000 0.839 2158 A CB 1.028 19.988 19.000 -0.067 0.000 1.121 2158 A HN 0.717 nan 8.150 nan 0.000 0.496 2159 T N 0.508 115.016 114.554 -0.077 0.000 2.812 2159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 2159 T C 0.167 174.829 174.700 -0.063 0.000 0.990 2159 T CA 0.054 62.107 62.100 -0.079 0.000 0.960 2159 T CB 1.555 70.394 68.868 -0.049 0.000 0.948 2159 T HN 1.043 nan 8.240 nan 0.000 0.438 2160 G N 1.850 110.603 108.800 -0.077 0.000 2.400 2160 G HA2 0.647 4.607 3.960 0.000 0.000 0.333 2160 G HA3 0.647 4.607 3.960 0.000 0.000 0.333 2160 G C -0.948 173.966 174.900 0.022 0.000 1.143 2160 G CA -0.602 44.480 45.100 -0.029 0.000 0.914 2160 G HN 0.489 nan 8.290 nan 0.000 0.480 2161 E N 0.963 121.194 120.200 0.051 0.000 2.171 2161 E HA 0.444 4.794 4.350 0.000 0.000 0.271 2161 E C -0.385 176.274 176.600 0.099 0.000 0.916 2161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 2161 E CB 2.374 32.102 29.700 0.048 0.000 1.128 2161 E HN 0.312 nan 8.360 nan 0.000 0.403 2162 L N 1.018 122.312 121.223 0.118 0.000 2.341 2162 L HA 0.666 5.006 4.340 0.000 0.000 0.267 2162 L C -0.061 176.869 176.870 0.099 0.000 1.009 2162 L CA -0.885 54.032 54.840 0.128 0.000 0.819 2162 L CB 2.059 44.226 42.059 0.179 0.000 1.323 2162 L HN 0.315 nan 8.230 nan 0.000 0.425 2163 T N 2.214 116.821 114.554 0.089 0.000 2.921 2163 T HA 0.671 5.021 4.350 0.000 0.000 0.297 2163 T C -0.827 173.912 174.700 0.066 0.000 1.013 2163 T CA -0.425 61.717 62.100 0.071 0.000 0.990 2163 T CB 2.230 71.162 68.868 0.106 0.000 1.023 2163 T HN 0.494 nan 8.240 nan 0.000 0.447 2164 M N 3.047 122.650 119.600 0.005 0.000 2.484 2164 M HA 0.689 5.169 4.480 0.000 0.000 0.289 2164 M C -2.388 173.845 176.300 -0.112 0.000 1.206 2164 M CA -0.738 54.542 55.300 -0.035 0.000 0.892 2164 M CB 1.748 34.301 32.600 -0.080 0.000 1.712 2164 M HN 0.629 nan 8.290 nan 0.000 0.462 2165 Y N 2.564 122.818 120.300 -0.076 0.000 2.477 2165 Y HA 0.694 5.244 4.550 0.000 0.000 0.347 2165 Y C -1.573 174.359 175.900 0.054 0.000 0.981 2165 Y CA -0.349 57.816 58.100 0.109 0.000 1.033 2165 Y CB 2.084 40.663 38.460 0.199 0.000 1.245 2165 Y HN 0.619 nan 8.280 nan 0.000 0.455 2166 Y N 1.325 121.911 120.300 0.477 0.000 2.477 2166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 2166 Y C -0.945 175.179 175.900 0.373 0.000 0.981 2166 Y CA -1.506 56.778 58.100 0.308 0.000 1.033 2166 Y CB 1.960 40.479 38.460 0.098 0.000 1.245 2166 Y HN 0.644 nan 8.280 nan 0.000 0.455 2167 W N 5.178 126.577 121.300 0.165 0.000 2.329 2167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 2167 W C -1.835 174.710 176.519 0.044 0.000 1.054 2167 W CA -1.001 56.427 57.345 0.138 0.000 1.245 2167 W CB 1.401 30.906 29.460 0.075 0.000 1.255 2167 W HN 0.302 nan 8.180 nan 0.000 0.436 2168 V N 9.455 129.073 119.914 -0.494 0.000 2.334 2168 V HA 0.181 4.301 4.120 0.000 0.000 0.267 2168 V C -1.591 174.011 176.094 -0.821 0.000 1.040 2168 V CA -1.579 60.441 62.300 -0.467 0.000 0.866 2168 V CB 0.910 32.579 31.823 -0.256 0.000 1.019 2168 V HN 0.365 nan 8.190 nan 0.000 0.468 2169 P HA 0.370 nan 4.420 nan 0.000 0.284 2169 P C 0.069 177.244 177.300 -0.208 0.000 1.253 2169 P CA -0.274 62.638 63.100 -0.313 0.000 0.800 2169 P CB 2.440 34.258 31.700 0.197 0.000 0.961 2170 L N 1.489 122.645 121.223 -0.111 0.000 2.590 2170 L HA 0.317 4.657 4.340 0.000 0.000 0.181 2170 L C 1.387 178.394 176.870 0.228 0.000 1.134 2170 L CA 0.120 54.919 54.840 -0.069 0.000 0.850 2170 L CB -0.835 41.064 42.059 -0.268 0.000 1.172 2170 L HN 0.325 nan 8.230 nan 0.000 0.498 2171 A N -0.934 121.999 122.820 0.188 0.000 2.407 2171 A HA -0.010 4.310 4.320 0.000 0.000 0.248 2171 A C 0.543 178.318 177.584 0.318 0.000 1.082 2171 A CA -0.003 52.171 52.037 0.228 0.000 0.785 2171 A CB -0.012 19.080 19.000 0.153 0.000 1.020 2171 A HN 0.360 nan 8.150 nan 0.000 0.489 2172 Y N 2.218 122.540 120.300 0.036 0.000 2.181 2172 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 2172 Y C 1.225 177.111 175.900 -0.024 0.000 1.146 2172 Y CA 1.731 59.680 58.100 -0.252 0.000 1.164 2172 Y CB 0.016 38.333 38.460 -0.238 0.000 0.982 2172 Y HN 0.874 nan 8.280 nan 0.000 0.515 2173 S N -2.466 113.231 115.700 -0.004 0.000 2.727 2173 S HA 0.264 4.734 4.470 0.000 0.000 0.278 2173 S C 0.306 174.909 174.600 0.004 0.000 1.186 2173 S CA -0.648 57.504 58.200 -0.080 0.000 0.836 2173 S CB 1.097 64.224 63.200 -0.123 0.000 1.186 2173 S HN 0.077 nan 8.310 nan 0.000 0.499 2174 E N 1.108 121.281 120.200 -0.045 0.000 2.274 2174 E HA -0.006 4.344 4.350 0.000 0.000 0.194 2174 E C 1.681 178.274 176.600 -0.011 0.000 0.996 2174 E CA 1.825 58.203 56.400 -0.037 0.000 0.840 2174 E CB -0.324 29.326 29.700 -0.084 0.000 0.772 2174 E HN 0.849 nan 8.360 nan 0.000 0.491 2175 T N -2.479 112.076 114.554 0.003 0.000 2.985 2175 T HA 0.058 4.408 4.350 0.000 0.000 0.254 2175 T C 0.421 175.142 174.700 0.034 0.000 1.021 2175 T CA -0.313 61.795 62.100 0.013 0.000 0.957 2175 T CB 0.435 69.307 68.868 0.008 0.000 1.047 2175 T HN -0.209 nan 8.240 nan 0.000 0.511 2176 D N 1.220 121.663 120.400 0.071 0.000 2.461 2176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 2176 D C 0.672 177.020 176.300 0.080 0.000 1.094 2176 D CA -0.679 53.373 54.000 0.086 0.000 0.868 2176 D CB 0.948 41.863 40.800 0.192 0.000 1.062 2176 D HN 0.213 nan 8.370 nan 0.000 0.530 2177 L N 2.440 123.681 121.223 0.030 0.000 2.627 2177 L HA 0.071 4.411 4.340 0.000 0.000 0.233 2177 L C 0.778 177.651 176.870 0.004 0.000 1.144 2177 L CA 0.214 55.071 54.840 0.029 0.000 0.892 2177 L CB -0.403 41.663 42.059 0.012 0.000 1.039 2177 L HN 0.257 nan 8.230 nan 0.000 0.442 2178 T N 0.785 115.304 114.554 -0.057 0.000 2.871 2178 T HA 0.227 4.577 4.350 0.000 0.000 0.296 2178 T C 1.246 175.927 174.700 -0.032 0.000 0.998 2178 T CA 1.084 63.068 62.100 -0.193 0.000 1.162 2178 T CB 0.869 69.396 68.868 -0.569 0.000 0.947 2178 T HN 0.638 nan 8.240 nan 0.000 0.536 2179 G N 2.127 110.939 108.800 0.021 0.000 2.234 2179 G HA2 -0.097 3.863 3.960 0.000 0.000 0.235 2179 G HA3 -0.097 3.863 3.960 0.000 0.000 0.235 2179 G C 0.389 175.401 174.900 0.187 0.000 0.997 2179 G CA -0.021 45.198 45.100 0.199 0.000 0.623 2179 G HN 1.160 nan 8.290 nan 0.000 0.514 2180 A N -0.405 122.480 122.820 0.109 0.000 2.429 2180 A HA 0.613 4.933 4.320 0.000 0.000 0.242 2180 A C 0.391 178.018 177.584 0.070 0.000 1.088 2180 A CA 0.911 52.987 52.037 0.065 0.000 0.784 2180 A CB 0.789 19.815 19.000 0.044 0.000 1.038 2180 A HN 1.229 nan 8.150 nan 0.000 0.501 2181 V N 1.899 121.832 119.914 0.032 0.000 2.487 2181 V HA 0.300 4.420 4.120 0.000 0.000 0.298 2181 V C -0.554 175.567 176.094 0.046 0.000 1.028 2181 V CA -0.514 61.822 62.300 0.060 0.000 0.860 2181 V CB 1.425 33.282 31.823 0.055 0.000 0.991 2181 V HN 0.781 nan 8.190 nan 0.000 0.427 2182 L N 5.453 126.709 121.223 0.054 0.000 2.295 2182 L HA 0.663 5.003 4.340 0.000 0.000 0.288 2182 L C 0.576 177.473 176.870 0.045 0.000 1.079 2182 L CA 0.179 55.040 54.840 0.034 0.000 0.830 2182 L CB 0.681 42.762 42.059 0.036 0.000 1.200 2182 L HN 0.743 nan 8.230 nan 0.000 0.438 2183 A N 4.828 127.664 122.820 0.028 0.000 2.937 2183 A HA 0.417 4.737 4.320 0.000 0.000 0.338 2183 A C 0.341 177.933 177.584 0.012 0.000 1.273 2183 A CA -0.436 51.618 52.037 0.029 0.000 0.937 2183 A CB -0.579 18.439 19.000 0.030 0.000 1.133 2183 A HN 0.805 nan 8.150 nan 0.000 0.491 2184 N N 0.489 119.208 118.700 0.032 0.000 2.193 2184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 2184 N C -0.341 175.194 175.510 0.043 0.000 1.215 2184 N CA 0.136 53.211 53.050 0.042 0.000 0.901 2184 N CB -0.008 38.527 38.487 0.079 0.000 1.060 2184 N HN 0.152 nan 8.380 nan 0.000 0.508 2185 V N 3.204 123.141 119.914 0.038 0.000 2.400 2185 V HA 0.184 4.304 4.120 0.000 0.000 0.263 2185 V C -2.141 173.966 176.094 0.022 0.000 1.026 2185 V CA -0.813 61.506 62.300 0.032 0.000 1.077 2185 V CB -0.327 31.515 31.823 0.031 0.000 1.054 2185 V HN 0.073 nan 8.190 nan 0.000 0.477 2186 P HA 0.407 nan 4.420 nan 0.000 0.271 2186 P C 0.588 177.894 177.300 0.009 0.000 1.220 2186 P CA 1.187 64.295 63.100 0.013 0.000 0.768 2186 P CB 0.721 32.429 31.700 0.014 0.000 0.848 2187 Q N -0.223 119.579 119.800 0.004 0.000 2.376 2187 Q HA -0.194 4.146 4.340 0.000 0.000 0.187 2187 Q C 0.559 176.556 176.000 -0.004 0.000 0.603 2187 Q CA 1.492 57.294 55.803 -0.001 0.000 1.346 2187 Q CB -2.875 25.863 28.738 -0.000 0.000 1.243 2187 Q HN 0.779 nan 8.270 nan 0.000 0.930 2188 S N 0.977 116.676 115.700 -0.000 0.000 2.516 2188 S HA 0.600 5.070 4.470 0.000 0.000 0.268 2188 S C 0.079 174.676 174.600 -0.005 0.000 1.251 2188 S CA 0.060 58.257 58.200 -0.004 0.000 1.153 2188 S CB 0.145 63.349 63.200 0.006 0.000 1.009 2188 S HN 0.958 nan 8.310 nan 0.000 0.479 2189 K N 1.518 121.907 120.400 -0.018 0.000 2.154 2189 K HA 0.514 4.834 4.320 0.000 0.000 0.264 2189 K C -0.172 176.405 176.600 -0.039 0.000 1.008 2189 K CA -0.603 55.672 56.287 -0.020 0.000 0.937 2189 K CB 0.709 33.193 32.500 -0.027 0.000 1.002 2189 K HN 0.591 nan 8.250 nan 0.000 0.469 2190 Q N 0.769 120.552 119.800 -0.028 0.000 2.237 2190 Q HA 0.310 4.650 4.340 0.000 0.000 0.219 2190 Q C -0.644 175.277 176.000 -0.131 0.000 0.999 2190 Q CA -0.833 54.915 55.803 -0.092 0.000 0.959 2190 Q CB 1.100 29.866 28.738 0.047 0.000 1.173 2190 Q HN 0.569 nan 8.270 nan 0.000 0.527 2191 R N 0.568 120.917 120.500 -0.252 0.000 2.522 2191 R HA 0.420 4.761 4.340 0.000 0.000 0.283 2191 R C -2.196 173.974 176.300 -0.216 0.000 1.074 2191 R CA -0.645 55.352 56.100 -0.172 0.000 0.925 2191 R CB 1.002 31.235 30.300 -0.111 0.000 1.205 2191 R HN 0.504 nan 8.270 nan 0.000 0.436 2192 L N 4.179 125.288 121.223 -0.191 0.000 2.318 2192 L HA 0.486 4.826 4.340 0.000 0.000 0.277 2192 L C -0.999 175.759 176.870 -0.186 0.000 1.008 2192 L CA -0.198 54.505 54.840 -0.229 0.000 0.846 2192 L CB 1.225 43.004 42.059 -0.467 0.000 1.220 2192 L HN 0.591 nan 8.230 nan 0.000 0.423 2193 K N 5.438 125.753 120.400 -0.141 0.000 2.183 2193 K HA 0.621 4.941 4.320 0.000 0.000 0.274 2193 K C -1.521 174.944 176.600 -0.225 0.000 1.009 2193 K CA -0.498 55.710 56.287 -0.132 0.000 0.888 2193 K CB 0.739 33.206 32.500 -0.056 0.000 1.078 2193 K HN 0.690 nan 8.250 nan 0.000 0.459 2194 L N 4.268 125.334 121.223 -0.262 0.000 2.349 2194 L HA 0.371 4.711 4.340 0.000 0.000 0.278 2194 L C -0.583 176.051 176.870 -0.394 0.000 0.996 2194 L CA -0.604 53.949 54.840 -0.479 0.000 0.825 2194 L CB 1.921 43.538 42.059 -0.738 0.000 1.243 2194 L HN 0.618 nan 8.230 nan 0.000 0.412 2195 E N 3.681 123.639 120.200 -0.403 0.000 2.073 2195 E HA 0.371 4.721 4.350 0.000 0.000 0.269 2195 E C -1.029 175.415 176.600 -0.261 0.000 0.917 2195 E CA -0.445 55.831 56.400 -0.208 0.000 0.757 2195 E CB 1.283 30.902 29.700 -0.135 0.000 1.111 2195 E HN 0.264 nan 8.360 nan 0.000 0.410 2196 F N 1.299 121.253 119.950 0.006 0.000 2.375 2196 F HA 0.362 4.889 4.527 0.000 0.000 0.313 2196 F C 1.175 177.000 175.800 0.042 0.000 1.176 2196 F CA -0.640 57.387 58.000 0.044 0.000 1.142 2196 F CB 0.575 39.682 39.000 0.178 0.000 1.275 2196 F HN 0.379 nan 8.300 nan 0.000 0.544 2197 A N 1.531 124.506 122.820 0.258 0.000 2.386 2197 A HA 0.447 4.767 4.320 0.000 0.000 0.246 2197 A C -0.311 177.338 177.584 0.109 0.000 1.089 2197 A CA -0.149 51.992 52.037 0.173 0.000 0.790 2197 A CB -0.079 19.059 19.000 0.231 0.000 1.042 2197 A HN 0.894 nan 8.150 nan 0.000 0.497 2198 N N -1.070 117.737 118.700 0.179 0.000 3.316 2198 N HA 0.217 4.957 4.740 0.000 0.000 0.300 2198 N C -0.201 175.538 175.510 0.381 0.000 1.567 2198 N CA -0.732 52.450 53.050 0.220 0.000 0.821 2198 N CB 0.259 38.854 38.487 0.181 0.000 1.748 2198 N HN 0.295 nan 8.380 nan 0.000 0.603 2199 N N -0.531 118.418 118.700 0.414 0.000 2.520 2199 N HA -0.031 4.709 4.740 0.000 0.000 0.185 2199 N C -0.058 175.635 175.510 0.304 0.000 1.068 2199 N CA 0.672 53.992 53.050 0.449 0.000 0.911 2199 N CB -0.524 38.216 38.487 0.422 0.000 0.961 2199 N HN 0.564 nan 8.380 nan 0.000 0.446 2200 N N -0.859 117.961 118.700 0.200 0.000 2.356 2200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 2200 N C 1.461 177.032 175.510 0.102 0.000 1.075 2200 N CA 0.737 53.876 53.050 0.148 0.000 0.889 2200 N CB 0.415 38.975 38.487 0.121 0.000 0.999 2200 N HN 0.250 nan 8.380 nan 0.000 0.464 2201 T N -3.110 111.488 114.554 0.072 0.000 3.000 2201 T HA 0.316 4.666 4.350 0.000 0.000 0.248 2201 T C 1.833 176.502 174.700 -0.052 0.000 1.034 2201 T CA 0.112 62.237 62.100 0.041 0.000 1.060 2201 T CB 0.096 69.008 68.868 0.073 0.000 0.983 2201 T HN 0.035 nan 8.240 nan 0.000 0.482 2202 A N 0.778 123.458 122.820 -0.234 0.000 2.119 2202 A HA 0.430 4.750 4.320 0.000 0.000 0.217 2202 A C 0.314 177.475 177.584 -0.706 0.000 1.153 2202 A CA 0.117 51.809 52.037 -0.576 0.000 0.692 2202 A CB -0.609 17.830 19.000 -0.935 0.000 0.799 2202 A HN 0.602 nan 8.150 nan 0.000 0.458 2203 F N -0.510 119.499 119.950 0.099 0.000 2.460 2203 F HA 0.629 5.157 4.527 0.000 0.000 0.341 2203 F C 0.268 176.102 175.800 0.056 0.000 1.130 2203 F CA -0.792 57.249 58.000 0.069 0.000 0.962 2203 F CB 1.658 40.678 39.000 0.034 0.000 1.171 2203 F HN 0.066 nan 8.300 nan 0.000 0.436 2204 A N 2.369 125.307 122.820 0.196 0.000 2.304 2204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 2204 A C -0.102 177.540 177.584 0.096 0.000 1.195 2204 A CA -0.558 51.547 52.037 0.114 0.000 0.826 2204 A CB 0.659 19.694 19.000 0.059 0.000 1.184 2204 A HN 0.897 nan 8.150 nan 0.000 0.496 2205 A N 1.761 124.625 122.820 0.073 0.000 2.346 2205 A HA 0.528 4.848 4.320 0.000 0.000 0.252 2205 A C 0.429 178.030 177.584 0.028 0.000 1.089 2205 A CA -0.304 51.760 52.037 0.045 0.000 0.797 2205 A CB -0.026 18.998 19.000 0.040 0.000 1.047 2205 A HN 1.175 nan 8.150 nan 0.000 0.494 2206 V N 1.047 120.967 119.914 0.011 0.000 2.694 2206 V HA 0.370 4.490 4.120 0.000 0.000 0.306 2206 V C 1.714 177.813 176.094 0.007 0.000 1.054 2206 V CA 1.817 64.120 62.300 0.005 0.000 1.161 2206 V CB 0.048 31.867 31.823 -0.007 0.000 0.916 2206 V HN 1.965 nan 8.190 nan 0.000 0.490 2207 G N 3.210 112.013 108.800 0.006 0.000 2.253 2207 G HA2 -0.156 3.804 3.960 0.000 0.000 0.251 2207 G HA3 -0.156 3.804 3.960 0.000 0.000 0.251 2207 G C 0.447 175.351 174.900 0.007 0.000 0.998 2207 G CA 0.330 45.431 45.100 0.002 0.000 0.621 2207 G HN 1.516 nan 8.290 nan 0.000 0.524 2208 A N -0.146 122.684 122.820 0.017 0.000 2.287 2208 A HA 0.642 4.962 4.320 0.000 0.000 0.273 2208 A C 0.525 178.126 177.584 0.027 0.000 1.091 2208 A CA 0.184 52.235 52.037 0.023 0.000 0.817 2208 A CB 0.351 19.372 19.000 0.035 0.000 1.069 2208 A HN 0.551 nan 8.150 nan 0.000 0.492 2209 N N 1.063 119.783 118.700 0.033 0.000 2.452 2209 N HA 0.142 4.882 4.740 0.000 0.000 0.266 2209 N C -1.685 173.847 175.510 0.037 0.000 1.175 2209 N CA -1.456 51.628 53.050 0.056 0.000 0.945 2209 N CB 1.007 39.529 38.487 0.058 0.000 1.063 2209 N HN 0.342 nan 8.380 nan 0.000 0.472 2210 P HA -0.028 nan 4.420 nan 0.000 0.255 2210 P C 1.579 178.710 177.300 -0.281 0.000 1.248 2210 P CA -0.097 62.935 63.100 -0.113 0.000 0.807 2210 P CB 0.490 32.103 31.700 -0.145 0.000 1.150 2211 L N 1.657 122.721 121.223 -0.265 0.000 2.011 2211 L HA -0.210 4.130 4.340 0.000 0.000 0.225 2211 L C 1.818 178.494 176.870 -0.323 0.000 1.084 2211 L CA 2.232 56.795 54.840 -0.462 0.000 0.791 2211 L CB -0.915 41.093 42.059 -0.086 0.000 0.898 2211 L HN -0.088 nan 8.230 nan 0.000 0.440 2212 E N -0.137 120.027 120.200 -0.060 0.000 2.474 2212 E HA 0.275 4.625 4.350 0.000 0.000 0.195 2212 E C 0.736 177.364 176.600 0.047 0.000 1.039 2212 E CA 0.578 57.028 56.400 0.084 0.000 0.881 2212 E CB -0.097 29.683 29.700 0.134 0.000 0.970 2212 E HN 0.578 nan 8.360 nan 0.000 0.486 2213 A N 0.874 123.673 122.820 -0.034 0.000 2.271 2213 A HA 0.485 4.805 4.320 0.000 0.000 0.288 2213 A C 1.119 178.672 177.584 -0.053 0.000 1.094 2213 A CA -0.431 51.583 52.037 -0.039 0.000 0.828 2213 A CB 0.504 19.488 19.000 -0.027 0.000 1.091 2213 A HN 0.045 nan 8.150 nan 0.000 0.493 2214 I N -1.530 119.004 120.570 -0.061 0.000 3.039 2214 I HA 0.115 4.285 4.170 0.000 0.000 0.270 2214 I C -0.349 175.587 176.117 -0.301 0.000 1.150 2214 I CA 0.669 61.898 61.300 -0.119 0.000 1.448 2214 I CB -0.011 37.980 38.000 -0.014 0.000 1.197 2214 I HN 0.586 nan 8.210 nan 0.000 0.450 2215 Y N 0.397 120.742 120.300 0.075 0.000 2.499 2215 Y HA 0.556 5.106 4.550 0.000 0.000 0.347 2215 Y C -0.253 175.713 175.900 0.109 0.000 0.987 2215 Y CA -0.721 57.449 58.100 0.116 0.000 1.044 2215 Y CB 1.792 40.370 38.460 0.196 0.000 1.245 2215 Y HN -0.059 nan 8.280 nan 0.000 0.461 2216 Q N 1.520 121.444 119.800 0.207 0.000 2.359 2216 Q HA 0.761 5.101 4.340 0.000 0.000 0.274 2216 Q C -1.007 175.048 176.000 0.092 0.000 1.074 2216 Q CA -0.629 55.247 55.803 0.122 0.000 0.810 2216 Q CB 2.613 31.379 28.738 0.047 0.000 1.342 2216 Q HN 0.963 nan 8.270 nan 0.000 0.427 2217 G N 0.439 109.269 108.800 0.050 0.000 2.320 2217 G HA2 0.373 4.333 3.960 0.000 0.000 0.297 2217 G HA3 0.373 4.333 3.960 0.000 0.000 0.297 2217 G C -0.376 174.493 174.900 -0.052 0.000 1.344 2217 G CA -0.133 44.968 45.100 0.001 0.000 0.851 2217 G HN 0.695 nan 8.290 nan 0.000 0.567 2218 A N -0.884 121.876 122.820 -0.101 0.000 2.172 2218 A HA 0.367 4.687 4.320 0.000 0.000 0.216 2218 A C 2.157 179.520 177.584 -0.367 0.000 1.154 2218 A CA 2.535 54.466 52.037 -0.177 0.000 0.701 2218 A CB -0.373 18.527 19.000 -0.167 0.000 0.789 2218 A HN 1.933 nan 8.150 nan 0.000 0.465 2219 G N -1.714 106.876 108.800 -0.351 0.000 3.126 2219 G HA2 0.338 4.298 3.960 0.000 0.000 0.224 2219 G HA3 0.338 4.298 3.960 0.000 0.000 0.224 2219 G C 1.306 176.105 174.900 -0.168 0.000 1.142 2219 G CA 0.836 45.669 45.100 -0.445 0.000 0.759 2219 G HN 0.581 nan 8.290 nan 0.000 0.550 2220 A N 1.513 124.270 122.820 -0.105 0.000 1.927 2220 A HA 0.061 4.381 4.320 0.000 0.000 0.220 2220 A C 2.752 180.319 177.584 -0.029 0.000 1.185 2220 A CA 2.335 54.350 52.037 -0.037 0.000 0.639 2220 A CB -0.735 18.311 19.000 0.076 0.000 0.820 2220 A HN 0.828 nan 8.150 nan 0.000 0.451 2221 A N -0.745 122.090 122.820 0.025 0.000 2.024 2221 A HA -0.145 4.175 4.320 0.000 0.000 0.220 2221 A C 1.359 178.952 177.584 0.015 0.000 1.164 2221 A CA 1.896 53.964 52.037 0.051 0.000 0.643 2221 A CB -0.396 18.649 19.000 0.074 0.000 0.806 2221 A HN 0.451 nan 8.150 nan 0.000 0.451 2222 D N -1.465 118.935 120.400 -0.001 0.000 2.363 2222 D HA 0.187 4.827 4.640 0.000 0.000 0.214 2222 D C -0.152 176.030 176.300 -0.196 0.000 1.093 2222 D CA -0.128 53.841 54.000 -0.050 0.000 0.837 2222 D CB -0.211 40.595 40.800 0.010 0.000 0.948 2222 D HN 0.311 nan 8.370 nan 0.000 0.507 2223 C N 1.768 120.828 119.300 -0.401 0.000 2.539 2223 C HA 0.555 5.015 4.460 0.000 0.000 0.392 2223 C C 0.574 175.098 174.990 -0.777 0.000 1.269 2223 C CA -0.542 57.989 59.018 -0.811 0.000 2.250 2223 C CB 0.137 26.937 27.740 -1.567 0.000 2.584 2223 C HN 0.384 nan 8.230 nan 0.000 0.589 2224 E N 0.980 120.833 120.200 -0.578 0.000 2.390 2224 E HA 0.484 4.834 4.350 0.000 0.000 0.280 2224 E C -1.705 174.880 176.600 -0.025 0.000 0.992 2224 E CA -0.663 55.663 56.400 -0.123 0.000 0.790 2224 E CB 0.683 30.375 29.700 -0.012 0.000 1.248 2224 E HN 0.425 nan 8.360 nan 0.000 0.447 2225 F N 1.726 121.810 119.950 0.223 0.000 2.412 2225 F HA 0.177 4.704 4.527 0.000 0.000 0.348 2225 F C 1.614 177.441 175.800 0.044 0.000 1.102 2225 F CA -0.182 57.905 58.000 0.146 0.000 1.196 2225 F CB 1.198 40.268 39.000 0.117 0.000 1.144 2225 F HN 0.541 nan 8.300 nan 0.000 0.541 2226 E N 1.718 122.035 120.200 0.195 0.000 2.122 2226 E HA -0.021 4.329 4.350 0.000 0.000 0.190 2226 E C 0.009 176.645 176.600 0.059 0.000 0.977 2226 E CA 0.757 57.211 56.400 0.090 0.000 0.820 2226 E CB 0.085 29.811 29.700 0.042 0.000 0.770 2226 E HN 0.824 nan 8.360 nan 0.000 0.462 2227 E N -0.967 119.260 120.200 0.046 0.000 2.403 2227 E HA 0.511 4.861 4.350 0.000 0.000 0.280 2227 E C -1.079 175.361 176.600 -0.266 0.000 1.101 2227 E CA -0.538 55.776 56.400 -0.143 0.000 0.856 2227 E CB 0.879 30.496 29.700 -0.137 0.000 1.303 2227 E HN -0.130 nan 8.360 nan 0.000 0.441 2228 I N 0.891 121.050 120.570 -0.686 0.000 2.686 2228 I HA 0.497 4.667 4.170 0.000 0.000 0.295 2228 I C -0.993 174.651 176.117 -0.787 0.000 1.114 2228 I CA -0.845 59.980 61.300 -0.791 0.000 1.038 2228 I CB 2.389 39.635 38.000 -1.258 0.000 1.238 2228 I HN 0.531 nan 8.210 nan 0.000 0.420 2229 S N 3.818 119.271 115.700 -0.413 0.000 2.536 2229 S HA 0.722 5.192 4.470 0.000 0.000 0.287 2229 S C -1.478 173.039 174.600 -0.138 0.000 1.101 2229 S CA -0.601 57.425 58.200 -0.290 0.000 0.950 2229 S CB 1.966 65.046 63.200 -0.200 0.000 1.056 2229 S HN 0.524 nan 8.310 nan 0.000 0.481 2230 Y N -1.060 119.144 120.300 -0.160 0.000 2.553 2230 Y HA 0.865 5.415 4.550 0.000 0.000 0.347 2230 Y C -0.909 174.959 175.900 -0.054 0.000 1.019 2230 Y CA -0.876 57.186 58.100 -0.062 0.000 1.032 2230 Y CB 1.178 39.657 38.460 0.030 0.000 1.284 2230 Y HN 0.426 nan 8.280 nan 0.000 0.466 2231 T N 2.926 117.592 114.554 0.187 0.000 2.928 2231 T HA 0.501 4.851 4.350 0.000 0.000 0.296 2231 T C -1.453 173.341 174.700 0.157 0.000 1.000 2231 T CA -0.649 61.479 62.100 0.047 0.000 0.989 2231 T CB 1.419 70.254 68.868 -0.054 0.000 1.005 2231 T HN 0.623 nan 8.240 nan 0.000 0.442 2232 V N 4.279 124.266 119.914 0.121 0.000 2.370 2232 V HA 0.451 4.571 4.120 0.000 0.000 0.279 2232 V C -1.055 175.080 176.094 0.068 0.000 1.029 2232 V CA -0.724 61.682 62.300 0.177 0.000 0.870 2232 V CB 0.586 32.516 31.823 0.179 0.000 0.984 2232 V HN 0.810 nan 8.190 nan 0.000 0.451 2233 Y N 3.159 123.639 120.300 0.300 0.000 2.341 2233 Y HA 0.494 5.044 4.550 0.000 0.000 0.337 2233 Y C 0.330 176.409 175.900 0.299 0.000 1.014 2233 Y CA -0.301 57.966 58.100 0.278 0.000 1.111 2233 Y CB 1.687 40.306 38.460 0.266 0.000 1.194 2233 Y HN 0.564 nan 8.280 nan 0.000 0.462 2234 Q N 2.250 122.288 119.800 0.397 0.000 2.290 2234 Q HA 0.442 4.782 4.340 0.000 0.000 0.259 2234 Q C -0.923 175.206 176.000 0.214 0.000 0.941 2234 Q CA -0.574 55.343 55.803 0.190 0.000 0.912 2234 Q CB 1.357 30.236 28.738 0.235 0.000 1.244 2234 Q HN 0.655 nan 8.270 nan 0.000 0.441 2235 S N 4.212 119.946 115.700 0.056 0.000 2.437 2235 S HA 0.647 5.117 4.470 0.000 0.000 0.305 2235 S C -1.377 173.300 174.600 0.128 0.000 1.109 2235 S CA -0.349 57.929 58.200 0.130 0.000 1.099 2235 S CB 0.270 63.659 63.200 0.315 0.000 1.004 2235 S HN 0.573 nan 8.310 nan 0.000 0.475 2236 Y N 1.962 122.253 120.300 -0.015 0.000 2.705 2236 Y HA 0.704 5.254 4.550 0.000 0.000 0.332 2236 Y C -1.879 174.013 175.900 -0.014 0.000 1.221 2236 Y CA -1.563 56.517 58.100 -0.034 0.000 1.059 2236 Y CB 0.862 39.296 38.460 -0.043 0.000 1.298 2236 Y HN 0.413 nan 8.280 nan 0.000 0.459 2237 L N 2.422 123.741 121.223 0.160 0.000 2.313 2237 L HA 0.468 4.808 4.340 0.000 0.000 0.283 2237 L C -0.915 176.046 176.870 0.152 0.000 1.013 2237 L CA -0.542 54.329 54.840 0.051 0.000 0.816 2237 L CB 1.392 43.464 42.059 0.020 0.000 1.236 2237 L HN 0.678 nan 8.230 nan 0.000 0.419 2238 D N 1.628 122.080 120.400 0.087 0.000 2.442 2238 D HA 0.236 4.876 4.640 0.000 0.000 0.254 2238 D C -0.266 176.064 176.300 0.050 0.000 1.069 2238 D CA 0.042 54.123 54.000 0.135 0.000 1.017 2238 D CB 1.097 41.999 40.800 0.169 0.000 1.172 2238 D HN 0.311 nan 8.370 nan 0.000 0.561 2239 Q N -0.053 119.781 119.800 0.057 0.000 2.452 2239 Q HA -0.179 4.161 4.340 0.000 0.000 0.318 2239 Q C -0.542 175.466 176.000 0.014 0.000 1.386 2239 Q CA 0.398 56.228 55.803 0.045 0.000 0.872 2239 Q CB -1.941 26.820 28.738 0.038 0.000 1.151 2239 Q HN 0.454 nan 8.270 nan 0.000 0.417 2240 L N 2.000 123.194 121.223 -0.049 0.000 2.490 2240 L HA 0.123 4.463 4.340 0.000 0.000 0.274 2240 L C -1.049 175.809 176.870 -0.021 0.000 1.201 2240 L CA -1.168 53.581 54.840 -0.152 0.000 0.869 2240 L CB -0.188 41.566 42.059 -0.509 0.000 1.123 2240 L HN 0.026 nan 8.230 nan 0.000 0.484 2241 P HA 0.130 nan 4.420 nan 0.000 0.271 2241 P C -0.830 176.586 177.300 0.194 0.000 1.216 2241 P CA -0.169 62.982 63.100 0.085 0.000 0.771 2241 P CB 1.333 33.059 31.700 0.044 0.000 0.864 2242 V N 2.494 122.522 119.914 0.189 0.000 2.667 2242 V HA 0.769 4.889 4.120 0.000 0.000 0.308 2242 V C 0.904 177.052 176.094 0.091 0.000 1.048 2242 V CA -0.226 62.183 62.300 0.182 0.000 0.928 2242 V CB 1.683 33.573 31.823 0.112 0.000 1.004 2242 V HN 0.890 nan 8.190 nan 0.000 0.444 2243 G N 1.226 110.067 108.800 0.070 0.000 3.251 2243 G HA2 0.552 4.512 3.960 0.000 0.000 0.248 2243 G HA3 0.552 4.512 3.960 0.000 0.000 0.248 2243 G C 0.570 175.483 174.900 0.021 0.000 1.320 2243 G CA 0.457 45.582 45.100 0.042 0.000 0.982 2243 G HN 0.730 nan 8.290 nan 0.000 0.575 2244 Q N -1.864 117.945 119.800 0.016 0.000 2.084 2244 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 2244 Q C 2.128 178.129 176.000 0.003 0.000 0.978 2244 Q CA 2.419 58.226 55.803 0.007 0.000 0.844 2244 Q CB -1.607 27.136 28.738 0.008 0.000 0.898 2244 Q HN 1.298 nan 8.270 nan 0.000 0.426 2245 N N -0.396 118.310 118.700 0.010 0.000 2.313 2245 N HA 0.479 5.219 4.740 0.000 0.000 0.207 2245 N C 1.292 176.804 175.510 0.004 0.000 1.141 2245 N CA 0.973 54.027 53.050 0.007 0.000 0.830 2245 N CB -0.193 38.304 38.487 0.015 0.000 1.008 2245 N HN 1.447 nan 8.380 nan 0.000 0.481 2246 G N -0.565 108.232 108.800 -0.006 0.000 2.484 2246 G HA2 -0.188 3.772 3.960 0.000 0.000 0.225 2246 G HA3 -0.188 3.772 3.960 0.000 0.000 0.225 2246 G C -0.334 174.600 174.900 0.056 0.000 1.250 2246 G CA -0.407 44.668 45.100 -0.042 0.000 0.926 2246 G HN 0.573 nan 8.290 nan 0.000 0.581 2247 Y N 0.614 120.922 120.300 0.013 0.000 2.729 2247 Y HA 0.237 4.787 4.550 0.000 0.000 0.331 2247 Y C 1.521 177.429 175.900 0.013 0.000 1.208 2247 Y CA -0.168 57.941 58.100 0.015 0.000 1.521 2247 Y CB 0.129 38.600 38.460 0.018 0.000 1.233 2247 Y HN 0.313 nan 8.280 nan 0.000 0.539 2248 I N 6.695 127.379 120.570 0.190 0.000 2.379 2248 I HA 0.151 4.321 4.170 0.000 0.000 0.290 2248 I C -0.550 175.597 176.117 0.050 0.000 1.063 2248 I CA 0.202 61.557 61.300 0.091 0.000 1.351 2248 I CB 0.201 38.239 38.000 0.063 0.000 1.410 2248 I HN 0.379 nan 8.210 nan 0.000 0.505 2249 L N 8.561 129.809 121.223 0.042 0.000 2.455 2249 L HA 0.461 4.801 4.340 0.000 0.000 0.264 2249 L C -2.518 174.359 176.870 0.011 0.000 0.968 2249 L CA -1.823 53.027 54.840 0.016 0.000 0.827 2249 L CB 2.527 44.600 42.059 0.024 0.000 1.317 2249 L HN 0.355 nan 8.230 nan 0.000 0.407 2250 P HA 0.161 nan 4.420 nan 0.000 0.273 2250 P C 0.639 177.934 177.300 -0.008 0.000 1.428 2250 P CA -0.204 62.890 63.100 -0.009 0.000 0.995 2250 P CB 0.702 32.390 31.700 -0.019 0.000 1.286 2251 L N 2.891 124.113 121.223 -0.002 0.000 2.131 2251 L HA -0.144 4.196 4.340 0.000 0.000 0.210 2251 L C 2.380 179.243 176.870 -0.010 0.000 1.092 2251 L CA 1.264 56.106 54.840 0.002 0.000 0.759 2251 L CB -0.565 41.499 42.059 0.008 0.000 0.903 2251 L HN 0.282 nan 8.230 nan 0.000 0.435 2252 I N -0.357 120.197 120.570 -0.028 0.000 2.286 2252 I HA -0.217 3.953 4.170 0.000 0.000 0.245 2252 I C 2.056 178.130 176.117 -0.072 0.000 1.104 2252 I CA 0.961 62.232 61.300 -0.049 0.000 1.397 2252 I CB -0.369 37.592 38.000 -0.064 0.000 1.072 2252 I HN 0.194 nan 8.210 nan 0.000 0.417 2253 D N 1.287 121.643 120.400 -0.074 0.000 2.092 2253 D HA -0.157 4.483 4.640 0.000 0.000 0.193 2253 D C 2.178 178.455 176.300 -0.039 0.000 0.994 2253 D CA 1.420 55.368 54.000 -0.085 0.000 0.828 2253 D CB -0.330 40.435 40.800 -0.058 0.000 0.963 2253 D HN 0.266 nan 8.370 nan 0.000 0.450 2254 L N 0.322 121.540 121.223 -0.008 0.000 2.551 2254 L HA -0.000 4.340 4.340 0.000 0.000 0.228 2254 L C 1.575 178.469 176.870 0.041 0.000 1.153 2254 L CA 0.671 55.527 54.840 0.027 0.000 0.851 2254 L CB -0.198 41.878 42.059 0.028 0.000 0.959 2254 L HN 0.034 nan 8.230 nan 0.000 0.451 2255 S N -3.098 112.611 115.700 0.014 0.000 2.593 2255 S HA 0.168 4.638 4.470 0.000 0.000 0.236 2255 S C 0.508 175.108 174.600 0.001 0.000 0.991 2255 S CA -0.547 57.665 58.200 0.020 0.000 0.963 2255 S CB 0.164 63.372 63.200 0.013 0.000 0.865 2255 S HN 0.086 nan 8.310 nan 0.000 0.488 2256 T N 2.826 117.369 114.554 -0.019 0.000 2.855 2256 T HA 0.570 4.920 4.350 0.000 0.000 0.281 2256 T C -0.570 174.126 174.700 -0.007 0.000 1.007 2256 T CA -0.600 61.471 62.100 -0.049 0.000 1.009 2256 T CB 1.344 70.109 68.868 -0.172 0.000 0.983 2256 T HN 0.259 nan 8.240 nan 0.000 0.455 2257 L N 3.255 124.473 121.223 -0.009 0.000 2.275 2257 L HA 0.451 4.791 4.340 0.000 0.000 0.288 2257 L C -0.925 176.027 176.870 0.136 0.000 1.046 2257 L CA -1.042 53.769 54.840 -0.049 0.000 0.805 2257 L CB 0.621 42.550 42.059 -0.217 0.000 1.193 2257 L HN 0.625 nan 8.230 nan 0.000 0.426 2258 Y N 4.532 124.878 120.300 0.076 0.000 2.402 2258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 2258 Y C -0.845 175.000 175.900 -0.091 0.000 0.960 2258 Y CA -1.236 56.965 58.100 0.170 0.000 1.228 2258 Y CB 0.577 39.266 38.460 0.382 0.000 1.120 2258 Y HN 0.523 nan 8.280 nan 0.000 0.491 2259 N N 5.885 124.155 118.700 -0.717 0.000 2.265 2259 N HA 0.568 5.308 4.740 0.000 0.000 0.300 2259 N C -1.527 173.471 175.510 -0.853 0.000 1.148 2259 N CA -0.648 51.900 53.050 -0.837 0.000 0.772 2259 N CB 2.373 40.344 38.487 -0.861 0.000 1.434 2259 N HN 0.555 nan 8.380 nan 0.000 0.481 2260 L N 0.586 121.511 121.223 -0.496 0.000 2.346 2260 L HA 0.589 4.929 4.340 0.000 0.000 0.276 2260 L C -0.008 176.855 176.870 -0.012 0.000 1.006 2260 L CA -0.548 54.177 54.840 -0.192 0.000 0.817 2260 L CB 1.703 43.616 42.059 -0.243 0.000 1.272 2260 L HN 0.388 nan 8.230 nan 0.000 0.421 2261 E N 2.454 122.789 120.200 0.224 0.000 2.413 2261 E HA 0.381 4.731 4.350 0.000 0.000 0.277 2261 E C -1.481 175.217 176.600 0.164 0.000 0.958 2261 E CA -0.851 55.677 56.400 0.213 0.000 0.779 2261 E CB 3.146 33.045 29.700 0.332 0.000 1.278 2261 E HN 0.670 nan 8.360 nan 0.000 0.456 2262 N N -0.049 118.680 118.700 0.050 0.000 2.405 2262 N HA 0.535 5.275 4.740 0.000 0.000 0.285 2262 N C -1.141 174.405 175.510 0.061 0.000 1.262 2262 N CA -0.579 52.429 53.050 -0.072 0.000 0.773 2262 N CB 2.012 40.341 38.487 -0.265 0.000 1.490 2262 N HN 0.493 nan 8.380 nan 0.000 0.486 2263 S N -1.380 114.364 115.700 0.073 0.000 2.656 2263 S HA 0.888 5.358 4.470 0.000 0.000 0.273 2263 S C -1.552 173.122 174.600 0.124 0.000 1.168 2263 S CA -0.882 57.391 58.200 0.120 0.000 0.817 2263 S CB 1.259 64.562 63.200 0.171 0.000 1.146 2263 S HN 1.091 nan 8.310 nan 0.000 0.475 2264 A N 1.001 123.898 122.820 0.128 0.000 2.414 2264 A HA 0.824 5.144 4.320 0.000 0.000 0.306 2264 A C -1.337 176.330 177.584 0.138 0.000 1.054 2264 A CA -0.741 51.379 52.037 0.138 0.000 0.724 2264 A CB 1.572 20.653 19.000 0.135 0.000 1.267 2264 A HN 0.775 nan 8.150 nan 0.000 0.418 2265 Q N 0.623 120.525 119.800 0.171 0.000 2.359 2265 Q HA 0.789 5.129 4.340 0.000 0.000 0.274 2265 Q C -0.670 175.474 176.000 0.240 0.000 1.074 2265 Q CA -0.591 55.356 55.803 0.240 0.000 0.810 2265 Q CB 2.033 30.971 28.738 0.333 0.000 1.342 2265 Q HN 1.197 nan 8.270 nan 0.000 0.427 2266 A N -0.341 122.619 122.820 0.234 0.000 2.486 2266 A HA 0.932 5.252 4.320 0.000 0.000 0.289 2266 A C 0.347 178.027 177.584 0.161 0.000 1.176 2266 A CA -0.284 51.797 52.037 0.074 0.000 0.757 2266 A CB 1.431 20.457 19.000 0.043 0.000 1.337 2266 A HN 1.407 nan 8.150 nan 0.000 0.423 2267 G N -1.070 107.729 108.800 -0.001 0.000 2.151 2267 G HA2 0.012 3.972 3.960 0.000 0.000 0.156 2267 G HA3 0.012 3.972 3.960 0.000 0.000 0.156 2267 G C -0.426 174.485 174.900 0.018 0.000 1.017 2267 G CA -0.033 45.127 45.100 0.100 0.000 0.686 2267 G HN 0.753 nan 8.290 nan 0.000 0.503 2268 L N 1.486 122.517 121.223 -0.319 0.000 2.395 2268 L HA 0.779 5.119 4.340 0.000 0.000 0.269 2268 L C 0.974 177.769 176.870 -0.126 0.000 1.133 2268 L CA 0.509 55.133 54.840 -0.360 0.000 0.812 2268 L CB 1.671 43.373 42.059 -0.595 0.000 1.125 2268 L HN 0.458 nan 8.230 nan 0.000 0.452 2269 T N -0.110 114.399 114.554 -0.075 0.000 2.952 2269 T HA 0.544 4.894 4.350 0.000 0.000 0.305 2269 T C -2.858 171.812 174.700 -0.049 0.000 1.064 2269 T CA -2.231 59.845 62.100 -0.041 0.000 1.008 2269 T CB 1.912 70.773 68.868 -0.011 0.000 1.078 2269 T HN 0.163 nan 8.240 nan 0.000 0.459 2270 P HA 0.121 nan 4.420 nan 0.000 0.261 2270 P C 0.291 177.563 177.300 -0.047 0.000 1.173 2270 P CA 0.561 63.636 63.100 -0.042 0.000 0.760 2270 P CB 0.074 31.759 31.700 -0.025 0.000 0.783 2271 N N -0.989 117.669 118.700 -0.070 0.000 2.778 2271 N HA -0.144 4.596 4.740 0.000 0.000 0.249 2271 N C -0.577 174.896 175.510 -0.062 0.000 1.069 2271 N CA 0.752 53.761 53.050 -0.068 0.000 0.831 2271 N CB -1.641 36.828 38.487 -0.029 0.000 1.142 2271 N HN 0.194 nan 8.380 nan 0.000 0.573 2272 V N 1.153 121.028 119.914 -0.065 0.000 2.459 2272 V HA 0.225 4.345 4.120 0.000 0.000 0.295 2272 V C 0.126 176.190 176.094 -0.050 0.000 1.029 2272 V CA -0.813 61.466 62.300 -0.035 0.000 0.874 2272 V CB 2.081 33.901 31.823 -0.005 0.000 0.985 2272 V HN -0.047 nan 8.190 nan 0.000 0.438 2273 D N 3.400 123.779 120.400 -0.034 0.000 2.434 2273 D HA 0.109 4.749 4.640 0.000 0.000 0.252 2273 D C -0.541 175.770 176.300 0.018 0.000 1.185 2273 D CA 0.497 54.474 54.000 -0.038 0.000 0.886 2273 D CB 0.393 41.193 40.800 -0.000 0.000 1.148 2273 D HN 0.347 nan 8.370 nan 0.000 0.483 2274 F N 3.630 123.486 119.950 -0.156 0.000 2.385 2274 F HA 0.328 4.855 4.527 0.000 0.000 0.360 2274 F C -0.709 175.033 175.800 -0.096 0.000 1.122 2274 F CA -0.780 57.144 58.000 -0.127 0.000 1.090 2274 F CB 0.782 39.678 39.000 -0.173 0.000 1.150 2274 F HN 0.001 nan 8.300 nan 0.000 0.472 2275 V N 6.940 126.561 119.914 -0.489 0.000 2.417 2275 V HA 0.411 4.531 4.120 0.000 0.000 0.291 2275 V C -0.597 175.240 176.094 -0.429 0.000 1.024 2275 V CA -0.907 61.192 62.300 -0.336 0.000 0.861 2275 V CB 1.426 33.134 31.823 -0.191 0.000 0.985 2275 V HN 0.495 nan 8.190 nan 0.000 0.436 2276 V N 5.101 124.865 119.914 -0.249 0.000 2.328 2276 V HA 0.334 4.454 4.120 0.000 0.000 0.278 2276 V C 0.109 176.076 176.094 -0.212 0.000 1.021 2276 V CA -0.706 61.461 62.300 -0.222 0.000 0.838 2276 V CB 1.270 33.029 31.823 -0.107 0.000 0.999 2276 V HN 0.814 nan 8.190 nan 0.000 0.447 2277 Q N 3.015 122.699 119.800 -0.193 0.000 2.352 2277 Q HA 0.278 4.618 4.340 0.000 0.000 0.260 2277 Q C -0.820 175.025 176.000 -0.259 0.000 0.976 2277 Q CA 0.114 55.824 55.803 -0.155 0.000 0.881 2277 Q CB 1.022 29.699 28.738 -0.103 0.000 1.235 2277 Q HN 0.633 nan 8.270 nan 0.000 0.419 2278 Y N 0.072 120.256 120.300 -0.193 0.000 2.304 2278 Y HA 0.348 4.898 4.550 0.000 0.000 0.328 2278 Y C 0.736 176.527 175.900 -0.182 0.000 1.123 2278 Y CA -0.392 57.481 58.100 -0.378 0.000 1.218 2278 Y CB 1.033 39.203 38.460 -0.484 0.000 1.207 2278 Y HN 0.644 nan 8.280 nan 0.000 0.495 2279 A N 3.027 125.862 122.820 0.025 0.000 2.313 2279 A HA 0.310 4.630 4.320 0.000 0.000 0.261 2279 A C -0.147 177.414 177.584 -0.038 0.000 1.090 2279 A CA -0.799 51.192 52.037 -0.076 0.000 0.807 2279 A CB -0.010 18.823 19.000 -0.279 0.000 1.055 2279 A HN 0.875 nan 8.150 nan 0.000 0.492 2280 N N -0.678 117.931 118.700 -0.152 0.000 2.408 2280 N HA 0.533 5.273 4.740 0.000 0.000 0.260 2280 N C 0.547 175.938 175.510 -0.199 0.000 1.242 2280 N CA -0.138 52.819 53.050 -0.155 0.000 0.959 2280 N CB 0.498 38.888 38.487 -0.162 0.000 1.201 2280 N HN 0.730 nan 8.380 nan 0.000 0.511 2281 L N -4.092 117.052 121.223 -0.131 0.000 3.570 2281 L HA -0.300 4.040 4.340 0.000 0.000 0.382 2281 L C -0.305 176.777 176.870 0.352 0.000 0.698 2281 L CA 1.325 56.212 54.840 0.079 0.000 2.990 2281 L CB -1.366 40.699 42.059 0.010 0.000 0.731 2281 L HN 0.628 nan 8.230 nan 0.000 0.725 2282 Y N 1.292 121.580 120.300 -0.020 0.000 2.346 2282 Y HA 0.268 4.818 4.550 0.000 0.000 0.330 2282 Y C 1.030 176.911 175.900 -0.033 0.000 1.178 2282 Y CA -0.636 57.322 58.100 -0.236 0.000 1.331 2282 Y CB 0.508 38.385 38.460 -0.972 0.000 1.253 2282 Y HN 0.059 nan 8.280 nan 0.000 0.529 2283 R N 3.556 124.146 120.500 0.151 0.000 2.247 2283 R HA 0.215 4.555 4.340 0.000 0.000 0.329 2283 R C -1.714 174.631 176.300 0.075 0.000 1.014 2283 R CA -0.603 55.592 56.100 0.158 0.000 0.907 2283 R CB 0.373 30.711 30.300 0.064 0.000 1.146 2283 R HN 0.535 nan 8.270 nan 0.000 0.499 2284 Y N 3.238 123.646 120.300 0.180 0.000 2.436 2284 Y HA 0.046 4.596 4.550 0.000 0.000 0.343 2284 Y C 1.385 177.346 175.900 0.103 0.000 1.008 2284 Y CA -0.266 57.953 58.100 0.198 0.000 1.241 2284 Y CB 0.639 39.234 38.460 0.225 0.000 1.153 2284 Y HN 0.465 nan 8.280 nan 0.000 0.521 2285 L N 1.900 123.242 121.223 0.199 0.000 2.162 2285 L HA 0.039 4.379 4.340 0.000 0.000 0.205 2285 L C 0.757 177.739 176.870 0.187 0.000 1.086 2285 L CA 0.610 55.507 54.840 0.096 0.000 0.778 2285 L CB -0.114 41.922 42.059 -0.039 0.000 0.928 2285 L HN 0.625 nan 8.230 nan 0.000 0.446 2286 S N -1.990 113.885 115.700 0.291 0.000 2.570 2286 S HA 0.611 5.081 4.470 0.000 0.000 0.270 2286 S C -0.623 174.176 174.600 0.330 0.000 1.149 2286 S CA -0.678 57.666 58.200 0.239 0.000 0.837 2286 S CB 2.364 65.751 63.200 0.312 0.000 1.124 2286 S HN -0.071 nan 8.310 nan 0.000 0.465 2287 T N 1.939 116.600 114.554 0.178 0.000 2.916 2287 T HA 0.611 4.961 4.350 0.000 0.000 0.298 2287 T C -0.955 173.725 174.700 -0.033 0.000 1.031 2287 T CA -0.398 61.765 62.100 0.105 0.000 0.993 2287 T CB 0.906 69.882 68.868 0.180 0.000 1.045 2287 T HN 0.660 nan 8.240 nan 0.000 0.454 2288 I N 2.237 122.724 120.570 -0.138 0.000 2.509 2288 I HA 0.723 4.893 4.170 0.000 0.000 0.293 2288 I C -0.348 175.624 176.117 -0.241 0.000 1.020 2288 I CA -0.928 60.331 61.300 -0.068 0.000 1.088 2288 I CB 1.749 39.810 38.000 0.102 0.000 1.267 2288 I HN 0.734 nan 8.210 nan 0.000 0.430 2289 A N 6.251 128.982 122.820 -0.148 0.000 2.335 2289 A HA 0.754 5.074 4.320 0.000 0.000 0.304 2289 A C -1.141 176.521 177.584 0.129 0.000 1.118 2289 A CA -0.475 51.489 52.037 -0.121 0.000 0.757 2289 A CB 1.353 20.190 19.000 -0.271 0.000 1.188 2289 A HN 0.392 nan 8.150 nan 0.000 0.460 2290 V N 3.339 123.346 119.914 0.154 0.000 2.357 2290 V HA 0.315 4.435 4.120 0.000 0.000 0.284 2290 V C -0.694 175.583 176.094 0.305 0.000 1.018 2290 V CA -0.392 62.044 62.300 0.226 0.000 0.841 2290 V CB 1.191 33.096 31.823 0.136 0.000 0.991 2290 V HN 0.782 nan 8.190 nan 0.000 0.437 2291 F N 5.288 125.330 119.950 0.152 0.000 2.406 2291 F HA 0.369 4.896 4.527 0.000 0.000 0.358 2291 F C 0.458 176.148 175.800 -0.184 0.000 1.161 2291 F CA -1.793 56.214 58.000 0.011 0.000 1.185 2291 F CB 0.172 39.200 39.000 0.046 0.000 1.421 2291 F HN 0.600 nan 8.300 nan 0.000 0.576 2292 D N 4.248 124.630 120.400 -0.029 0.000 2.435 2292 D HA -0.029 4.611 4.640 0.000 0.000 0.230 2292 D C -0.085 175.878 176.300 -0.562 0.000 1.215 2292 D CA 0.086 53.759 54.000 -0.546 0.000 0.947 2292 D CB -0.320 40.400 40.800 -0.133 0.000 1.048 2292 D HN 0.273 nan 8.370 nan 0.000 0.512 2293 N N 2.830 120.946 118.700 -0.972 0.000 3.050 2293 N HA 0.191 4.931 4.740 0.000 0.000 0.289 2293 N C 0.733 175.933 175.510 -0.518 0.000 1.209 2293 N CA 0.411 52.937 53.050 -0.873 0.000 1.154 2293 N CB -0.433 37.337 38.487 -1.196 0.000 1.444 2293 N HN 0.609 nan 8.380 nan 0.000 0.529 2294 G N 0.984 109.579 108.800 -0.342 0.000 2.323 2294 G HA2 -0.214 3.746 3.960 0.000 0.000 0.292 2294 G HA3 -0.214 3.746 3.960 0.000 0.000 0.292 2294 G C 0.983 175.750 174.900 -0.221 0.000 1.040 2294 G CA 0.570 45.538 45.100 -0.219 0.000 0.942 2294 G HN 1.104 nan 8.290 nan 0.000 0.506 2295 G N -2.333 106.290 108.800 -0.296 0.000 2.217 2295 G HA2 -0.059 3.901 3.960 0.000 0.000 0.246 2295 G HA3 -0.059 3.901 3.960 0.000 0.000 0.246 2295 G C 0.476 175.244 174.900 -0.220 0.000 0.990 2295 G CA 0.644 45.645 45.100 -0.165 0.000 0.627 2295 G HN 1.742 nan 8.290 nan 0.000 0.522 2296 S N 0.265 115.702 115.700 -0.438 0.000 2.508 2296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 2296 S C -0.810 173.379 174.600 -0.685 0.000 1.192 2296 S CA -0.295 57.694 58.200 -0.352 0.000 1.070 2296 S CB 0.884 63.911 63.200 -0.288 0.000 1.004 2296 S HN 0.308 nan 8.310 nan 0.000 0.493 2297 F N 2.901 122.745 119.950 -0.177 0.000 2.445 2297 F HA 0.442 4.969 4.527 0.000 0.000 0.348 2297 F C 0.454 176.192 175.800 -0.102 0.000 1.125 2297 F CA -0.850 57.056 58.000 -0.157 0.000 0.983 2297 F CB 1.204 40.113 39.000 -0.153 0.000 1.198 2297 F HN 0.390 nan 8.300 nan 0.000 0.436 2298 N N 1.427 120.124 118.700 -0.004 0.000 2.384 2298 N HA 0.501 5.241 4.740 0.000 0.000 0.301 2298 N C -0.489 175.087 175.510 0.110 0.000 1.133 2298 N CA -0.705 52.363 53.050 0.030 0.000 0.853 2298 N CB 2.237 40.706 38.487 -0.030 0.000 1.241 2298 N HN 0.574 nan 8.380 nan 0.000 0.502 2299 A N 0.613 123.495 122.820 0.103 0.000 3.063 2299 A HA 0.461 4.781 4.320 0.000 0.000 0.263 2299 A C 1.353 179.046 177.584 0.181 0.000 1.736 2299 A CA 0.339 52.455 52.037 0.131 0.000 1.408 2299 A CB -1.426 17.631 19.000 0.096 0.000 1.108 2299 A HN 0.915 nan 8.150 nan 0.000 0.621 2300 G N 1.065 110.035 108.800 0.283 0.000 2.302 2300 G HA2 -0.423 3.537 3.960 0.000 0.000 0.263 2300 G HA3 -0.423 3.537 3.960 0.000 0.000 0.263 2300 G C 1.358 176.347 174.900 0.148 0.000 0.995 2300 G CA 1.552 46.816 45.100 0.273 0.000 0.622 2300 G HN 1.557 nan 8.290 nan 0.000 0.538 2301 T N -0.633 113.988 114.554 0.111 0.000 2.977 2301 T HA 0.043 4.393 4.350 0.000 0.000 0.271 2301 T C 1.479 176.210 174.700 0.052 0.000 1.105 2301 T CA 1.875 64.016 62.100 0.068 0.000 1.116 2301 T CB -0.241 68.655 68.868 0.046 0.000 0.878 2301 T HN 0.623 nan 8.240 nan 0.000 0.509 2302 D N 0.322 120.765 120.400 0.072 0.000 2.368 2302 D HA 0.255 4.895 4.640 0.000 0.000 0.218 2302 D C 0.148 176.532 176.300 0.141 0.000 1.112 2302 D CA -0.494 53.556 54.000 0.084 0.000 0.834 2302 D CB -0.305 40.510 40.800 0.024 0.000 0.953 2302 D HN 0.478 nan 8.370 nan 0.000 0.505 2303 I N 0.469 121.076 120.570 0.061 0.000 2.545 2303 I HA 0.217 4.387 4.170 0.000 0.000 0.292 2303 I C 0.620 176.685 176.117 -0.086 0.000 1.040 2303 I CA -0.862 60.401 61.300 -0.062 0.000 1.068 2303 I CB 2.138 40.038 38.000 -0.166 0.000 1.251 2303 I HN -0.269 nan 8.210 nan 0.000 0.424 2304 N N 3.900 122.500 118.700 -0.166 0.000 2.197 2304 N HA -0.002 4.738 4.740 0.000 0.000 0.184 2304 N C -0.570 174.946 175.510 0.009 0.000 1.030 2304 N CA 1.402 54.400 53.050 -0.088 0.000 0.851 2304 N CB 0.249 38.644 38.487 -0.153 0.000 1.003 2304 N HN 0.629 nan 8.380 nan 0.000 0.430 2305 Y N -1.976 118.247 120.300 -0.130 0.000 2.741 2305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 2305 Y C -1.793 173.936 175.900 -0.286 0.000 1.226 2305 Y CA -1.442 56.566 58.100 -0.154 0.000 1.072 2305 Y CB 0.476 38.887 38.460 -0.083 0.000 1.331 2305 Y HN -0.276 nan 8.280 nan 0.000 0.453 2306 L N 1.640 122.806 121.223 -0.094 0.000 2.333 2306 L HA 0.924 5.264 4.340 0.000 0.000 0.263 2306 L C -0.098 176.655 176.870 -0.194 0.000 1.014 2306 L CA -0.546 54.003 54.840 -0.485 0.000 0.820 2306 L CB 2.213 43.489 42.059 -1.305 0.000 1.352 2306 L HN 0.891 nan 8.230 nan 0.000 0.421 2307 S N -0.166 115.321 115.700 -0.355 0.000 2.636 2307 S HA 0.589 5.059 4.470 0.000 0.000 0.268 2307 S C -2.077 172.393 174.600 -0.217 0.000 1.159 2307 S CA -0.615 57.550 58.200 -0.058 0.000 0.815 2307 S CB 1.610 64.817 63.200 0.012 0.000 1.130 2307 S HN 0.579 nan 8.310 nan 0.000 0.471 2308 Q N 1.071 120.869 119.800 -0.003 0.000 2.304 2308 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 2308 Q C -1.110 174.915 176.000 0.042 0.000 1.035 2308 Q CA -0.683 55.151 55.803 0.052 0.000 0.781 2308 Q CB 2.207 31.034 28.738 0.147 0.000 1.261 2308 Q HN 0.665 nan 8.270 nan 0.000 0.444 2309 R N -0.637 119.893 120.500 0.050 0.000 2.604 2309 R HA 0.439 4.779 4.340 0.000 0.000 0.281 2309 R C -0.342 175.979 176.300 0.035 0.000 1.020 2309 R CA -0.707 55.410 56.100 0.028 0.000 0.899 2309 R CB 0.981 31.287 30.300 0.009 0.000 1.205 2309 R HN 0.503 nan 8.270 nan 0.000 0.450 2310 T N 0.691 115.255 114.554 0.017 0.000 3.418 2310 T HA 0.447 4.797 4.350 0.000 0.000 0.239 2310 T C 0.982 175.685 174.700 0.005 0.000 0.905 2310 T CA 0.110 62.218 62.100 0.012 0.000 0.929 2310 T CB -0.527 68.342 68.868 0.003 0.000 1.121 2310 T HN 1.087 nan 8.240 nan 0.000 0.608 2311 A N 1.496 124.320 122.820 0.006 0.000 5.821 2311 A HA -0.065 4.255 4.320 0.000 0.000 0.282 2311 A C 1.526 179.106 177.584 -0.006 0.000 2.032 2311 A CA 1.752 53.787 52.037 -0.003 0.000 0.715 2311 A CB -2.354 16.641 19.000 -0.007 0.000 1.178 2311 A HN 2.329 nan 8.150 nan 0.000 0.370 2312 N N -2.436 116.259 118.700 -0.009 0.000 2.677 2312 N HA 0.425 5.165 4.740 0.000 0.000 0.249 2312 N C 1.305 176.810 175.510 -0.009 0.000 1.073 2312 N CA 2.172 55.217 53.050 -0.009 0.000 0.737 2312 N CB -2.256 36.226 38.487 -0.009 0.000 0.999 2312 N HN 2.687 nan 8.380 nan 0.000 0.543 2313 F N -2.177 117.768 119.950 -0.009 0.000 2.694 2313 F HA 0.139 4.666 4.527 0.000 0.000 0.215 2313 F C 0.814 176.606 175.800 -0.013 0.000 1.032 2313 F CA 1.543 59.537 58.000 -0.011 0.000 0.871 2313 F CB -1.729 37.264 39.000 -0.011 0.000 0.776 2313 F HN 1.960 nan 8.300 nan 0.000 0.850 2314 S N 1.415 117.108 115.700 -0.012 0.000 2.721 2314 S HA 0.480 4.950 4.470 0.000 0.000 0.264 2314 S C -0.926 173.667 174.600 -0.011 0.000 1.161 2314 S CA -0.289 57.904 58.200 -0.013 0.000 1.113 2314 S CB 0.645 63.840 63.200 -0.009 0.000 1.079 2314 S HN 0.578 nan 8.310 nan 0.000 0.479 2315 D N 2.794 123.181 120.400 -0.021 0.000 2.255 2315 D HA 0.239 4.879 4.640 0.000 0.000 0.249 2315 D C 1.202 177.495 176.300 -0.012 0.000 1.078 2315 D CA -0.060 53.929 54.000 -0.018 0.000 0.896 2315 D CB 1.890 42.664 40.800 -0.043 0.000 1.194 2315 D HN 0.659 nan 8.370 nan 0.000 0.429 2316 T N -1.068 113.487 114.554 0.002 0.000 3.022 2316 T HA 0.061 4.411 4.350 0.000 0.000 0.250 2316 T C 0.928 175.628 174.700 -0.000 0.000 1.060 2316 T CA -0.281 61.819 62.100 -0.001 0.000 1.013 2316 T CB 0.279 69.148 68.868 0.003 0.000 0.982 2316 T HN 0.588 nan 8.240 nan 0.000 0.508 2317 R N 0.423 120.935 120.500 0.020 0.000 2.714 2317 R HA 0.311 4.651 4.340 0.000 0.000 0.214 2317 R C -0.844 175.523 176.300 0.113 0.000 1.474 2317 R CA -0.653 55.467 56.100 0.034 0.000 1.435 2317 R CB -0.320 29.969 30.300 -0.018 0.000 1.517 2317 R HN 0.084 nan 8.270 nan 0.000 0.748 2318 K N 2.883 123.307 120.400 0.040 0.000 2.338 2318 K HA 0.282 4.602 4.320 0.000 0.000 0.290 2318 K C -0.961 175.661 176.600 0.037 0.000 1.069 2318 K CA -0.102 56.185 56.287 0.001 0.000 0.941 2318 K CB 0.465 32.859 32.500 -0.177 0.000 1.023 2318 K HN 0.444 nan 8.250 nan 0.000 0.477 2319 L N 3.277 124.612 121.223 0.187 0.000 2.371 2319 L HA 0.341 4.681 4.340 0.000 0.000 0.262 2319 L C -0.430 176.577 176.870 0.227 0.000 1.006 2319 L CA -1.377 53.591 54.840 0.213 0.000 0.818 2319 L CB 2.033 44.286 42.059 0.323 0.000 1.354 2319 L HN 0.736 nan 8.230 nan 0.000 0.415 2320 D N 0.341 120.846 120.400 0.176 0.000 2.368 2320 D HA 0.149 4.789 4.640 0.000 0.000 0.240 2320 D C -2.110 174.304 176.300 0.190 0.000 1.169 2320 D CA -1.207 52.890 54.000 0.160 0.000 0.906 2320 D CB 0.667 41.541 40.800 0.123 0.000 1.187 2320 D HN 0.196 nan 8.370 nan 0.000 0.435 2321 P HA -0.216 nan 4.420 nan 0.000 0.216 2321 P C 1.130 178.605 177.300 0.290 0.000 1.150 2321 P CA 1.528 64.733 63.100 0.174 0.000 0.843 2321 P CB 0.090 31.861 31.700 0.117 0.000 0.787 2322 K N -1.072 119.459 120.400 0.218 0.000 2.097 2322 K HA -0.070 4.250 4.320 0.000 0.000 0.205 2322 K C 1.735 178.460 176.600 0.209 0.000 1.050 2322 K CA 1.523 57.932 56.287 0.202 0.000 0.938 2322 K CB -0.398 32.187 32.500 0.141 0.000 0.718 2322 K HN 0.031 nan 8.250 nan 0.000 0.442 2323 T N 0.341 115.017 114.554 0.203 0.000 2.904 2323 T HA -0.140 4.210 4.350 0.000 0.000 0.267 2323 T C 1.116 175.949 174.700 0.221 0.000 1.059 2323 T CA 0.778 62.982 62.100 0.173 0.000 1.137 2323 T CB -0.202 68.748 68.868 0.136 0.000 0.879 2323 T HN 0.437 nan 8.240 nan 0.000 0.467 2324 W N 2.248 123.620 121.300 0.121 0.000 2.355 2324 W HA -0.071 4.589 4.660 0.000 0.000 0.309 2324 W C 2.449 179.091 176.519 0.206 0.000 1.206 2324 W CA 1.259 58.698 57.345 0.157 0.000 1.284 2324 W CB -0.615 28.946 29.460 0.168 0.000 1.145 2324 W HN 0.289 nan 8.180 nan 0.000 0.502 2325 A N 0.895 124.016 122.820 0.502 0.000 1.972 2325 A HA -0.067 4.253 4.320 0.000 0.000 0.219 2325 A C 2.187 179.896 177.584 0.208 0.000 1.169 2325 A CA 2.557 54.822 52.037 0.380 0.000 0.635 2325 A CB -1.218 17.977 19.000 0.325 0.000 0.810 2325 A HN 0.292 nan 8.150 nan 0.000 0.446 2326 A N -0.909 122.005 122.820 0.157 0.000 1.933 2326 A HA -0.185 4.135 4.320 0.000 0.000 0.218 2326 A C 2.090 179.708 177.584 0.056 0.000 1.175 2326 A CA 1.671 53.763 52.037 0.092 0.000 0.628 2326 A CB -0.432 18.613 19.000 0.076 0.000 0.814 2326 A HN 0.500 nan 8.150 nan 0.000 0.444 2327 Q N -0.491 119.321 119.800 0.019 0.000 2.124 2327 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 2327 Q C 2.113 178.132 176.000 0.032 0.000 0.977 2327 Q CA 1.989 57.773 55.803 -0.031 0.000 0.850 2327 Q CB -1.229 27.405 28.738 -0.174 0.000 0.901 2327 Q HN 0.636 nan 8.270 nan 0.000 0.429 2328 T N 1.094 115.706 114.554 0.096 0.000 2.821 2328 T HA -0.061 4.289 4.350 0.000 0.000 0.267 2328 T C 1.805 176.568 174.700 0.106 0.000 1.046 2328 T CA 0.755 62.982 62.100 0.212 0.000 1.139 2328 T CB -0.040 69.049 68.868 0.367 0.000 0.871 2328 T HN 0.261 nan 8.240 nan 0.000 0.454 2329 R N 0.719 121.262 120.500 0.071 0.000 2.152 2329 R HA 0.029 4.369 4.340 0.000 0.000 0.232 2329 R C 2.439 178.746 176.300 0.010 0.000 1.117 2329 R CA 0.756 56.868 56.100 0.020 0.000 0.981 2329 R CB -0.068 30.249 30.300 0.028 0.000 0.870 2329 R HN 0.220 nan 8.270 nan 0.000 0.451 2330 R N 0.172 120.689 120.500 0.028 0.000 2.189 2330 R HA 0.014 4.354 4.340 0.000 0.000 0.218 2330 R C 1.847 178.163 176.300 0.028 0.000 1.074 2330 R CA 0.738 56.851 56.100 0.022 0.000 0.991 2330 R CB 0.024 30.338 30.300 0.023 0.000 0.883 2330 R HN 0.169 nan 8.270 nan 0.000 0.457 2331 R N 0.406 120.935 120.500 0.049 0.000 2.146 2331 R HA 0.159 4.499 4.340 0.000 0.000 0.206 2331 R C 2.025 178.314 176.300 -0.018 0.000 1.049 2331 R CA 0.768 56.906 56.100 0.063 0.000 1.029 2331 R CB 0.058 30.473 30.300 0.191 0.000 0.949 2331 R HN 0.313 nan 8.270 nan 0.000 0.471 2332 I N -3.973 116.547 120.570 -0.084 0.000 4.147 2332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 2332 I C 0.497 176.524 176.117 -0.149 0.000 1.424 2332 I CA 0.099 61.296 61.300 -0.172 0.000 1.127 2332 I CB 0.884 38.652 38.000 -0.386 0.000 1.128 2332 I HN -0.042 nan 8.210 nan 0.000 0.417 2333 A N 0.295 123.060 122.820 -0.092 0.000 2.861 2333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 2333 A C 0.636 178.174 177.584 -0.078 0.000 1.351 2333 A CA 1.671 53.666 52.037 -0.070 0.000 0.904 2333 A CB -2.298 16.664 19.000 -0.063 0.000 1.076 2333 A HN 0.806 nan 8.150 nan 0.000 0.729 2334 T N -1.852 112.637 114.554 -0.108 0.000 2.654 2334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 2334 T C -2.119 172.505 174.700 -0.127 0.000 1.656 2334 T CA 0.137 62.177 62.100 -0.100 0.000 0.971 2334 T CB 0.940 69.740 68.868 -0.114 0.000 1.811 2334 T HN 0.285 nan 8.240 nan 0.000 0.483 2335 D N 0.564 120.907 120.400 -0.094 0.000 2.217 2335 D HA 0.516 5.156 4.640 0.000 0.000 0.248 2335 D C -0.277 175.934 176.300 -0.148 0.000 1.008 2335 D CA -0.121 53.844 54.000 -0.060 0.000 0.914 2335 D CB 0.800 41.615 40.800 0.024 0.000 1.182 2335 D HN 0.333 nan 8.370 nan 0.000 0.451 2336 F N 0.583 120.469 119.950 -0.108 0.000 2.399 2336 F HA 0.220 4.747 4.527 0.000 0.000 0.313 2336 F C -1.342 174.354 175.800 -0.174 0.000 1.202 2336 F CA -1.266 56.593 58.000 -0.236 0.000 1.192 2336 F CB 0.078 38.833 39.000 -0.409 0.000 1.256 2336 F HN 0.070 nan 8.300 nan 0.000 0.558 2337 P HA -0.008 nan 4.420 nan 0.000 0.270 2337 P C -1.173 176.159 177.300 0.054 0.000 1.227 2337 P CA -0.271 62.893 63.100 0.106 0.000 0.788 2337 P CB 0.329 32.193 31.700 0.274 0.000 0.926 2338 K N 1.134 121.576 120.400 0.069 0.000 2.530 2338 K HA 0.109 4.429 4.320 0.000 0.000 0.280 2338 K C 1.289 177.952 176.600 0.105 0.000 1.004 2338 K CA 1.286 57.614 56.287 0.069 0.000 1.071 2338 K CB -0.773 31.788 32.500 0.101 0.000 0.876 2338 K HN 0.864 nan 8.250 nan 0.000 0.487 2339 G N 1.186 109.999 108.800 0.022 0.000 2.184 2339 G HA2 -0.256 3.704 3.960 0.000 0.000 0.264 2339 G HA3 -0.256 3.704 3.960 0.000 0.000 0.264 2339 G C 0.016 174.865 174.900 -0.085 0.000 0.975 2339 G CA 0.078 45.248 45.100 0.116 0.000 0.642 2339 G HN 0.428 nan 8.290 nan 0.000 0.536 2340 V N 0.997 120.697 119.914 -0.357 0.000 2.370 2340 V HA 0.649 4.769 4.120 0.000 0.000 0.283 2340 V C -0.290 175.441 176.094 -0.604 0.000 1.023 2340 V CA -0.816 61.273 62.300 -0.352 0.000 0.857 2340 V CB 0.828 32.417 31.823 -0.389 0.000 0.985 2340 V HN 0.252 nan 8.190 nan 0.000 0.443 2341 Y N 4.140 124.475 120.300 0.057 0.000 2.393 2341 Y HA 0.623 5.173 4.550 0.000 0.000 0.341 2341 Y C -0.509 175.567 175.900 0.293 0.000 0.988 2341 Y CA -0.803 57.435 58.100 0.231 0.000 1.078 2341 Y CB 1.826 40.346 38.460 0.100 0.000 1.203 2341 Y HN 0.631 nan 8.280 nan 0.000 0.453 2342 Y N 2.176 122.778 120.300 0.504 0.000 2.468 2342 Y HA 0.671 5.221 4.550 0.000 0.000 0.342 2342 Y C -1.195 175.001 175.900 0.494 0.000 1.021 2342 Y CA -1.832 56.459 58.100 0.318 0.000 1.079 2342 Y CB 1.715 40.289 38.460 0.189 0.000 1.226 2342 Y HN 0.803 nan 8.280 nan 0.000 0.460 2343 C N 6.634 125.672 119.300 -0.436 0.000 2.432 2343 C HA 0.367 4.827 4.460 0.000 0.000 0.334 2343 C C -1.315 173.294 174.990 -0.634 0.000 1.155 2343 C CA -0.708 58.120 59.018 -0.316 0.000 1.335 2343 C CB -0.021 27.912 27.740 0.322 0.000 1.964 2343 C HN 0.885 nan 8.230 nan 0.000 0.444 2344 D N 3.991 124.097 120.400 -0.490 0.000 2.280 2344 D HA 0.295 4.935 4.640 0.000 0.000 0.243 2344 D C 0.044 176.312 176.300 -0.053 0.000 1.129 2344 D CA 0.276 54.156 54.000 -0.200 0.000 0.848 2344 D CB 0.754 41.569 40.800 0.025 0.000 1.107 2344 D HN 0.710 nan 8.370 nan 0.000 0.471 2345 N N 3.512 122.219 118.700 0.012 0.000 2.451 2345 N HA 0.099 4.839 4.740 0.000 0.000 0.271 2345 N C 1.093 176.627 175.510 0.039 0.000 1.410 2345 N CA -0.171 52.896 53.050 0.028 0.000 0.884 2345 N CB 0.724 39.238 38.487 0.044 0.000 1.332 2345 N HN 0.358 nan 8.380 nan 0.000 0.498 2346 R N 0.483 121.015 120.500 0.053 0.000 2.081 2346 R HA -0.045 4.295 4.340 0.000 0.000 0.235 2346 R C 0.740 177.047 176.300 0.012 0.000 1.131 2346 R CA 1.161 57.286 56.100 0.042 0.000 0.960 2346 R CB 0.103 30.468 30.300 0.109 0.000 0.856 2346 R HN 0.121 nan 8.270 nan 0.000 0.436 2347 D N 0.419 120.833 120.400 0.023 0.000 2.194 2347 D HA -0.041 4.599 4.640 0.000 0.000 0.204 2347 D C 0.208 176.511 176.300 0.006 0.000 0.964 2347 D CA 1.242 55.250 54.000 0.014 0.000 0.846 2347 D CB 0.225 41.036 40.800 0.018 0.000 0.962 2347 D HN 0.119 nan 8.370 nan 0.000 0.490 2348 K N 0.905 121.310 120.400 0.009 0.000 2.753 2348 K HA 0.293 4.613 4.320 0.000 0.000 0.185 2348 K C -2.737 173.875 176.600 0.020 0.000 1.071 2348 K CA -1.467 54.827 56.287 0.012 0.000 0.999 2348 K CB 2.322 34.829 32.500 0.011 0.000 1.244 2348 K HN -0.107 nan 8.250 nan 0.000 0.594 2349 P HA -0.038 nan 4.420 nan 0.000 0.265 2349 P C -0.118 177.233 177.300 0.084 0.000 1.187 2349 P CA -0.186 62.943 63.100 0.049 0.000 0.766 2349 P CB 0.453 32.170 31.700 0.029 0.000 0.820 2350 I N 3.640 124.258 120.570 0.080 0.000 2.587 2350 I HA 0.008 4.178 4.170 0.000 0.000 0.284 2350 I C -0.039 176.221 176.117 0.240 0.000 1.134 2350 I CA 0.254 61.561 61.300 0.012 0.000 1.410 2350 I CB -1.203 36.568 38.000 -0.382 0.000 1.392 2350 I HN 0.402 nan 8.210 nan 0.000 0.545 2351 Y N 5.795 126.117 120.300 0.036 0.000 2.315 2351 Y HA 0.162 4.712 4.550 0.000 0.000 0.324 2351 Y C 1.287 177.211 175.900 0.041 0.000 1.062 2351 Y CA -1.050 57.095 58.100 0.074 0.000 1.159 2351 Y CB 1.583 40.079 38.460 0.060 0.000 1.145 2351 Y HN 0.725 nan 8.280 nan 0.000 0.442 2352 T N 0.751 115.223 114.554 -0.136 0.000 2.881 2352 T HA -0.181 4.169 4.350 0.000 0.000 0.270 2352 T C 2.034 176.581 174.700 -0.255 0.000 1.068 2352 T CA 1.791 63.797 62.100 -0.158 0.000 1.131 2352 T CB -0.706 68.095 68.868 -0.112 0.000 0.871 2352 T HN 0.549 nan 8.240 nan 0.000 0.479 2353 L N 0.655 121.546 121.223 -0.554 0.000 2.056 2353 L HA 0.353 4.693 4.340 0.000 0.000 0.207 2353 L C 3.037 179.813 176.870 -0.157 0.000 1.078 2353 L CA 2.386 56.979 54.840 -0.412 0.000 0.749 2353 L CB -2.198 39.483 42.059 -0.630 0.000 0.901 2353 L HN 0.726 nan 8.230 nan 0.000 0.433 2354 Q N -2.412 117.361 119.800 -0.045 0.000 2.360 2354 Q HA 0.369 4.709 4.340 0.000 0.000 0.202 2354 Q C 1.436 177.461 176.000 0.043 0.000 0.915 2354 Q CA 1.535 57.387 55.803 0.081 0.000 0.943 2354 Q CB -0.957 27.913 28.738 0.221 0.000 1.064 2354 Q HN 1.857 nan 8.270 nan 0.000 0.511 2355 Y N -3.213 117.089 120.300 0.004 0.000 2.795 2355 Y HA 0.546 5.096 4.550 0.000 0.000 0.274 2355 Y C 1.273 177.164 175.900 -0.016 0.000 1.035 2355 Y CA 0.235 58.337 58.100 0.002 0.000 1.252 2355 Y CB -0.065 38.403 38.460 0.013 0.000 1.399 2355 Y HN 1.235 nan 8.280 nan 0.000 0.579 2356 G N 0.900 109.677 108.800 -0.038 0.000 2.796 2356 G HA2 -0.167 3.793 3.960 0.000 0.000 0.571 2356 G HA3 -0.167 3.793 3.960 0.000 0.000 0.571 2356 G C -0.507 174.372 174.900 -0.035 0.000 1.370 2356 G CA -0.379 44.697 45.100 -0.040 0.000 0.856 2356 G HN 0.942 nan 8.290 nan 0.000 0.538 2357 N N -0.990 117.693 118.700 -0.028 0.000 2.454 2357 N HA 0.332 5.072 4.740 0.000 0.000 0.254 2357 N C 0.003 175.522 175.510 0.015 0.000 1.228 2357 N CA 0.395 53.438 53.050 -0.011 0.000 0.900 2357 N CB 0.802 39.279 38.487 -0.017 0.000 1.089 2357 N HN 0.519 nan 8.380 nan 0.000 0.449 2358 V N 0.145 120.095 119.914 0.060 0.000 2.962 2358 V HA 0.755 4.875 4.120 0.000 0.000 0.313 2358 V C 0.396 176.649 176.094 0.265 0.000 1.099 2358 V CA -0.816 61.551 62.300 0.111 0.000 0.971 2358 V CB 2.086 33.926 31.823 0.029 0.000 1.028 2358 V HN 0.812 nan 8.190 nan 0.000 0.430 2359 G N 0.683 109.636 108.800 0.256 0.000 2.660 2359 G HA2 0.672 4.632 3.960 0.000 0.000 0.294 2359 G HA3 0.672 4.632 3.960 0.000 0.000 0.294 2359 G C -2.053 173.010 174.900 0.272 0.000 1.369 2359 G CA -0.606 44.618 45.100 0.206 0.000 0.912 2359 G HN 0.489 nan 8.290 nan 0.000 0.479 2360 F N 1.693 121.644 119.950 0.001 0.000 2.408 2360 F HA 0.652 5.179 4.527 0.000 0.000 0.344 2360 F C -0.226 175.556 175.800 -0.031 0.000 1.112 2360 F CA -0.501 57.532 58.000 0.055 0.000 1.096 2360 F CB 1.755 40.732 39.000 -0.038 0.000 1.129 2360 F HN 0.283 nan 8.300 nan 0.000 0.486 2361 V N 6.489 126.130 119.914 -0.455 0.000 2.555 2361 V HA 0.585 4.705 4.120 0.000 0.000 0.302 2361 V C -0.819 175.063 176.094 -0.354 0.000 1.038 2361 V CA -0.872 61.269 62.300 -0.264 0.000 0.887 2361 V CB 1.583 33.322 31.823 -0.140 0.000 0.991 2361 V HN 0.568 nan 8.190 nan 0.000 0.434 2362 V N 3.861 123.664 119.914 -0.186 0.000 2.577 2362 V HA 0.469 4.589 4.120 0.000 0.000 0.303 2362 V C -0.372 175.515 176.094 -0.345 0.000 1.042 2362 V CA -0.627 61.487 62.300 -0.310 0.000 0.872 2362 V CB 2.025 33.671 31.823 -0.294 0.000 0.998 2362 V HN 0.897 nan 8.190 nan 0.000 0.423 2363 N N 6.791 125.145 118.700 -0.576 0.000 2.558 2363 N HA 0.371 5.111 4.740 0.000 0.000 0.242 2363 N C -2.759 172.460 175.510 -0.485 0.000 0.979 2363 N CA -1.623 51.067 53.050 -0.600 0.000 0.931 2363 N CB 2.534 40.348 38.487 -1.123 0.000 1.122 2363 N HN 0.343 nan 8.380 nan 0.000 0.508 2364 P HA 0.129 nan 4.420 nan 0.000 0.275 2364 P C 0.173 177.400 177.300 -0.121 0.000 1.228 2364 P CA -0.151 62.811 63.100 -0.230 0.000 0.786 2364 P CB 2.067 33.627 31.700 -0.233 0.000 0.927 2365 K N 1.404 121.777 120.400 -0.044 0.000 2.168 2365 K HA 0.089 4.409 4.320 0.000 0.000 0.201 2365 K C 0.032 176.631 176.600 -0.002 0.000 1.049 2365 K CA 0.930 57.202 56.287 -0.026 0.000 0.974 2365 K CB 0.292 32.787 32.500 -0.008 0.000 0.792 2365 K HN 0.426 nan 8.250 nan 0.000 0.463 2366 T N 0.810 115.383 114.554 0.032 0.000 2.886 2366 T HA 0.434 4.784 4.350 0.000 0.000 0.292 2366 T C -1.458 173.272 174.700 0.050 0.000 1.012 2366 T CA -0.699 61.410 62.100 0.015 0.000 0.982 2366 T CB 2.297 71.156 68.868 -0.015 0.000 1.018 2366 T HN -0.176 nan 8.240 nan 0.000 0.451 2367 V N 4.325 124.248 119.914 0.015 0.000 2.447 2367 V HA 0.405 4.525 4.120 0.000 0.000 0.292 2367 V C -0.266 175.804 176.094 -0.041 0.000 1.021 2367 V CA -1.130 61.184 62.300 0.024 0.000 0.850 2367 V CB 1.471 33.304 31.823 0.017 0.000 1.005 2367 V HN 0.770 nan 8.190 nan 0.000 0.426 2368 N N 2.582 121.225 118.700 -0.094 0.000 2.379 2368 N HA 0.293 5.033 4.740 0.000 0.000 0.260 2368 N C 0.037 175.498 175.510 -0.082 0.000 1.254 2368 N CA -0.607 52.381 53.050 -0.103 0.000 0.958 2368 N CB 0.533 38.927 38.487 -0.155 0.000 1.208 2368 N HN 0.541 nan 8.380 nan 0.000 0.532 2369 Q N 1.144 120.901 119.800 -0.070 0.000 2.364 2369 Q HA 0.063 4.403 4.340 0.000 0.000 0.267 2369 Q C -0.009 175.954 176.000 -0.062 0.000 0.999 2369 Q CA 0.345 56.116 55.803 -0.053 0.000 0.886 2369 Q CB 0.133 28.846 28.738 -0.042 0.000 1.243 2369 Q HN 0.482 nan 8.270 nan 0.000 0.415 2370 N N -1.299 117.374 118.700 -0.046 0.000 2.776 2370 N HA -0.182 4.558 4.740 0.000 0.000 0.249 2370 N C -0.709 174.765 175.510 -0.059 0.000 1.111 2370 N CA 0.989 54.014 53.050 -0.042 0.000 0.711 2370 N CB -1.290 37.175 38.487 -0.037 0.000 1.065 2370 N HN 0.671 nan 8.380 nan 0.000 0.556 2371 A N 0.816 123.599 122.820 -0.061 0.000 2.371 2371 A HA 0.659 4.979 4.320 0.000 0.000 0.257 2371 A C 0.887 178.456 177.584 -0.025 0.000 1.089 2371 A CA 0.134 52.145 52.037 -0.043 0.000 0.794 2371 A CB 0.652 19.665 19.000 0.022 0.000 1.029 2371 A HN 0.471 nan 8.150 nan 0.000 0.488 2372 R N 0.804 121.318 120.500 0.024 0.000 2.712 2372 R HA 0.616 4.956 4.340 0.000 0.000 0.272 2372 R C -2.119 174.220 176.300 0.064 0.000 1.032 2372 R CA -0.925 55.171 56.100 -0.005 0.000 0.874 2372 R CB 0.919 31.238 30.300 0.032 0.000 1.256 2372 R HN 0.469 nan 8.270 nan 0.000 0.468 2373 L N 2.606 123.848 121.223 0.031 0.000 2.296 2373 L HA 0.487 4.827 4.340 0.000 0.000 0.286 2373 L C -0.763 176.188 176.870 0.134 0.000 1.023 2373 L CA -1.053 53.840 54.840 0.089 0.000 0.812 2373 L CB 1.675 43.791 42.059 0.095 0.000 1.223 2373 L HN 0.461 nan 8.230 nan 0.000 0.421 2374 L N 4.859 126.178 121.223 0.159 0.000 2.265 2374 L HA 0.459 4.799 4.340 0.000 0.000 0.289 2374 L C -0.204 176.746 176.870 0.133 0.000 1.033 2374 L CA -0.320 54.646 54.840 0.211 0.000 0.814 2374 L CB 1.312 43.574 42.059 0.340 0.000 1.203 2374 L HN 0.479 nan 8.230 nan 0.000 0.423 2375 M N 2.568 122.168 119.600 -0.001 0.000 2.363 2375 M HA 0.517 4.997 4.480 0.000 0.000 0.343 2375 M C 0.271 176.287 176.300 -0.472 0.000 1.165 2375 M CA -0.374 54.741 55.300 -0.308 0.000 1.046 2375 M CB 1.575 33.916 32.600 -0.432 0.000 1.648 2375 M HN 0.582 nan 8.290 nan 0.000 0.452 2376 G N 2.894 111.267 108.800 -0.712 0.000 2.544 2376 G HA2 0.696 4.656 3.960 0.000 0.000 0.313 2376 G HA3 0.696 4.656 3.960 0.000 0.000 0.313 2376 G C -1.886 172.608 174.900 -0.678 0.000 1.316 2376 G CA -0.240 44.223 45.100 -1.062 0.000 0.944 2376 G HN 0.594 nan 8.290 nan 0.000 0.489 2377 Y N 0.158 120.487 120.300 0.048 0.000 2.485 2377 Y HA 0.581 5.131 4.550 0.000 0.000 0.345 2377 Y C 0.240 176.392 175.900 0.419 0.000 0.998 2377 Y CA -0.942 57.382 58.100 0.374 0.000 1.059 2377 Y CB 2.849 41.650 38.460 0.569 0.000 1.234 2377 Y HN 0.503 nan 8.280 nan 0.000 0.461 2378 E N 2.579 123.112 120.200 0.555 0.000 2.199 2378 E HA 0.453 4.803 4.350 0.000 0.000 0.265 2378 E C -1.859 174.907 176.600 0.277 0.000 0.882 2378 E CA -0.691 55.877 56.400 0.280 0.000 0.759 2378 E CB 1.315 31.202 29.700 0.312 0.000 1.148 2378 E HN 0.570 nan 8.360 nan 0.000 0.412 2379 Y N 1.659 121.970 120.300 0.018 0.000 2.638 2379 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 2379 Y C -1.902 173.964 175.900 -0.056 0.000 1.155 2379 Y CA -1.478 56.531 58.100 -0.152 0.000 1.046 2379 Y CB 0.998 39.206 38.460 -0.419 0.000 1.303 2379 Y HN 0.301 nan 8.280 nan 0.000 0.460 2380 F N 0.861 120.920 119.950 0.182 0.000 2.480 2380 F HA 0.709 5.236 4.527 0.000 0.000 0.329 2380 F C 0.190 176.061 175.800 0.119 0.000 1.091 2380 F CA -0.915 57.142 58.000 0.095 0.000 0.972 2380 F CB 2.529 41.529 39.000 -0.001 0.000 1.150 2380 F HN 0.737 nan 8.300 nan 0.000 0.467 2381 T N 1.126 115.844 114.554 0.272 0.000 2.885 2381 T HA 0.277 4.627 4.350 0.000 0.000 0.322 2381 T C -1.122 173.643 174.700 0.108 0.000 1.387 2381 T CA -0.565 61.648 62.100 0.189 0.000 1.041 2381 T CB 1.478 70.436 68.868 0.150 0.000 1.287 2381 T HN 0.480 nan 8.240 nan 0.000 0.491 2382 S N 2.324 118.087 115.700 0.105 0.000 2.548 2382 S HA 0.249 4.719 4.470 0.000 0.000 0.277 2382 S C 1.503 176.136 174.600 0.055 0.000 1.315 2382 S CA -0.593 57.643 58.200 0.059 0.000 1.050 2382 S CB 1.041 64.277 63.200 0.061 0.000 0.918 2382 S HN 0.660 nan 8.310 nan 0.000 0.497 2383 R N 1.438 121.955 120.500 0.029 0.000 2.083 2383 R HA -0.092 4.248 4.340 0.000 0.000 0.237 2383 R C 1.452 177.777 176.300 0.041 0.000 1.137 2383 R CA 1.662 57.778 56.100 0.025 0.000 0.951 2383 R CB -0.716 29.599 30.300 0.026 0.000 0.851 2383 R HN 0.826 nan 8.270 nan 0.000 0.434 2384 T N 0.000 114.579 114.554 0.041 0.000 3.816 2384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 2384 T CA 0.000 62.125 62.100 0.041 0.000 1.349 2384 T CB 0.000 68.888 68.868 0.033 0.000 0.612 2384 T HN 0.000 nan 8.240 nan 0.000 0.658