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_K 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 -0.333 122.492 122.820 0.008 0.000 4.029 2014 A HA -0.069 4.251 4.320 0.000 0.000 0.268 2014 A C 2.198 179.785 177.584 0.005 0.000 0.943 2014 A CA 3.038 55.080 52.037 0.008 0.000 1.137 2014 A CB -2.309 16.697 19.000 0.009 0.000 1.074 2014 A HN 2.547 nan 8.150 nan 0.000 0.854 2015 L N -2.136 119.089 121.223 0.004 0.000 2.341 2015 L HA 0.554 4.894 4.340 0.000 0.000 0.214 2015 L C 2.808 179.679 176.870 0.002 0.000 1.115 2015 L CA 2.433 57.275 54.840 0.002 0.000 0.820 2015 L CB -2.435 39.625 42.059 0.003 0.000 0.944 2015 L HN 1.494 nan 8.230 nan 0.000 0.452 2016 R N 0.431 120.933 120.500 0.003 0.000 2.092 2016 R HA -0.147 4.193 4.340 0.000 0.000 0.231 2016 R C 2.031 178.331 176.300 0.000 0.000 1.119 2016 R CA 1.609 57.710 56.100 0.002 0.000 0.970 2016 R CB -1.585 28.717 30.300 0.004 0.000 0.864 2016 R HN 0.853 nan 8.270 nan 0.000 0.440 2017 N N 0.095 118.795 118.700 0.000 0.000 2.300 2017 N HA -0.151 4.589 4.740 0.000 0.000 0.179 2017 N C 1.925 177.430 175.510 -0.007 0.000 1.016 2017 N CA 1.412 54.460 53.050 -0.004 0.000 0.876 2017 N CB -0.115 38.370 38.487 -0.002 0.000 0.979 2017 N HN 0.697 nan 8.380 nan 0.000 0.432 2018 Q N 1.063 120.860 119.800 -0.005 0.000 2.167 2018 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 2018 Q C 1.751 177.747 176.000 -0.007 0.000 0.970 2018 Q CA 1.180 56.979 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 0.427 nan 8.270 nan 0.000 0.438 2019 Q N -0.622 119.175 119.800 -0.005 0.000 2.096 2019 Q HA -0.050 4.290 4.340 0.000 0.000 0.197 2019 Q C 2.146 178.142 176.000 -0.006 0.000 0.964 2019 Q CA 0.982 56.782 55.803 -0.004 0.000 0.838 2019 Q CB -0.113 28.624 28.738 -0.001 0.000 0.906 2019 Q HN 0.436 nan 8.270 nan 0.000 0.444 2020 A N 1.243 124.059 122.820 -0.007 0.000 1.940 2020 A HA -0.200 4.120 4.320 0.000 0.000 0.219 2020 A C 2.118 179.693 177.584 -0.016 0.000 1.176 2020 A CA 1.340 53.372 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 -0.699 118.890 119.600 -0.019 0.000 2.086 2021 M HA -0.153 4.327 4.480 0.000 0.000 0.261 2021 M C 2.578 178.865 176.300 -0.023 0.000 1.067 2021 M CA 1.727 57.011 55.300 -0.027 0.000 1.116 2021 M CB -1.199 31.384 32.600 -0.027 0.000 1.348 2021 M HN 0.504 nan 8.290 nan 0.000 0.407 2022 A N 0.101 122.912 122.820 -0.016 0.000 1.930 2022 A HA 0.036 4.356 4.320 0.000 0.000 0.217 2022 A C 2.390 179.967 177.584 -0.010 0.000 1.175 2022 A CA 1.879 53.909 52.037 -0.012 0.000 0.627 2022 A CB -0.792 18.203 19.000 -0.008 0.000 0.815 2022 A HN 0.492 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 -0.200 4.120 4.320 0.000 0.000 0.216 2023 A C 2.085 179.665 177.584 -0.007 0.000 1.181 2023 A CA 1.666 53.700 52.037 -0.005 0.000 0.620 2023 A CB -0.700 18.299 19.000 -0.002 0.000 0.819 2023 A HN 0.672 nan 8.150 nan 0.000 0.442 2024 N N -0.057 118.635 118.700 -0.014 0.000 2.084 2024 N HA -0.165 4.575 4.740 0.000 0.000 0.190 2024 N C 1.802 177.299 175.510 -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 1.964 123.172 121.223 -0.024 0.000 2.046 2025 L HA -0.124 4.216 4.340 0.000 0.000 0.208 2025 L C 2.627 179.488 176.870 -0.014 0.000 1.077 2025 L CA 1.620 56.447 54.840 -0.022 0.000 0.747 2025 L CB -0.994 41.052 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 -0.225 4.115 4.340 0.000 0.000 0.202 2026 Q C 2.126 178.124 176.000 -0.003 0.000 0.980 2026 Q CA 1.965 57.765 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 0.644 nan 8.270 nan 0.000 0.424 2027 A N 1.205 124.024 122.820 -0.002 0.000 1.933 2027 A HA -0.205 4.115 4.320 0.000 0.000 0.218 2027 A C 2.113 179.695 177.584 -0.004 0.000 1.175 2027 A CA 1.444 53.481 52.037 0.001 0.000 0.628 2027 A CB -0.679 18.324 19.000 0.005 0.000 0.814 2027 A HN 0.431 nan 8.150 nan 0.000 0.444 2028 R N -0.194 120.300 120.500 -0.010 0.000 2.083 2028 R HA -0.217 4.123 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 2.040 58.133 56.100 -0.012 0.000 0.951 2028 R CB -0.376 29.913 30.300 -0.017 0.000 0.851 2028 R HN 0.715 nan 8.270 nan 0.000 0.434 2029 Q N 0.129 119.925 119.800 -0.008 0.000 2.084 2029 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 2029 Q C 2.275 178.272 176.000 -0.005 0.000 0.978 2029 Q CA 1.801 57.600 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 0.075 120.644 120.570 -0.002 0.000 2.179 2030 I HA -0.261 3.909 4.170 0.000 0.000 0.242 2030 I C 2.261 178.377 176.117 -0.002 0.000 1.088 2030 I CA 0.843 62.144 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 1.205 121.114 119.914 -0.007 0.000 2.287 2031 V HA -0.286 3.834 4.120 0.000 0.000 0.248 2031 V C 2.410 178.494 176.094 -0.015 0.000 1.053 2031 V CA 1.832 64.122 62.300 -0.016 0.000 1.027 2031 V CB -0.458 31.350 31.823 -0.024 0.000 0.646 2031 V HN 0.366 nan 8.190 nan 0.000 0.447 2032 L N -0.733 120.483 121.223 -0.013 0.000 2.083 2032 L HA -0.183 4.157 4.340 0.000 0.000 0.209 2032 L C 2.732 179.593 176.870 -0.014 0.000 1.083 2032 L CA 1.300 56.132 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 0.335 nan 8.230 nan 0.000 0.433 2033 Q N -0.445 119.349 119.800 -0.010 0.000 2.123 2033 Q HA -0.136 4.204 4.340 0.000 0.000 0.199 2033 Q C 2.248 178.244 176.000 -0.007 0.000 0.966 2033 Q CA 1.173 56.971 55.803 -0.008 0.000 0.845 2033 Q CB -0.027 28.708 28.738 -0.005 0.000 0.907 2033 Q HN 0.520 nan 8.270 nan 0.000 0.439 2034 Q N 0.312 120.110 119.800 -0.004 0.000 2.204 2034 Q HA 0.040 4.380 4.340 0.000 0.000 0.198 2034 Q C 1.181 177.180 176.000 -0.002 0.000 0.946 2034 Q CA 0.337 56.141 55.803 0.001 0.000 0.859 2034 Q CB 0.045 28.788 28.738 0.009 0.000 0.946 2034 Q HN 0.294 nan 8.270 nan 0.000 0.474 2035 S N -1.024 114.670 115.700 -0.011 0.000 2.608 2035 S HA 0.405 4.875 4.470 0.000 0.000 0.261 2035 S C -0.018 174.570 174.600 -0.020 0.000 1.314 2035 S CA -0.386 57.805 58.200 -0.014 0.000 0.992 2035 S CB 0.085 63.272 63.200 -0.022 0.000 0.935 2035 S HN 0.310 nan 8.310 nan 0.000 0.564 2036 Y N -0.224 120.061 120.300 -0.025 0.000 2.328 2036 Y HA 0.729 5.279 4.550 0.000 0.000 0.336 2036 Y C -2.853 172.996 175.900 -0.086 0.000 0.960 2036 Y CA -3.248 54.826 58.100 -0.044 0.000 1.134 2036 Y CB 0.975 39.415 38.460 -0.033 0.000 1.166 2036 Y HN 0.830 nan 8.280 nan 0.000 0.464 2037 P HA 0.448 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 0.251 63.262 63.100 -0.148 0.000 0.776 2037 P CB 2.165 33.804 31.700 -0.102 0.000 0.888 2038 V N 5.023 124.699 119.914 -0.396 0.000 2.760 2038 V HA 0.454 4.574 4.120 0.000 0.000 0.309 2038 V C 0.073 175.925 176.094 -0.403 0.000 1.077 2038 V CA -0.759 61.260 62.300 -0.469 0.000 0.910 2038 V CB 2.431 33.767 31.823 -0.812 0.000 1.008 2038 V HN 0.523 nan 8.190 nan 0.000 0.424 2039 I N 3.546 124.026 120.570 -0.151 0.000 2.418 2039 I HA 0.628 4.798 4.170 0.000 0.000 0.287 2039 I C -0.699 175.509 176.117 0.151 0.000 1.008 2039 I CA -0.024 61.292 61.300 0.027 0.000 1.104 2039 I CB 1.458 39.479 38.000 0.035 0.000 1.264 2039 I HN 0.836 nan 8.210 nan 0.000 0.438 2040 Q N 6.450 126.431 119.800 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 -0.773 55.237 55.803 0.345 0.000 0.810 2040 Q CB 2.211 31.153 28.738 0.340 0.000 1.342 2040 Q HN 0.734 nan 8.270 nan 0.000 0.427 2041 Q N 1.896 121.843 119.800 0.246 0.000 2.337 2041 Q HA 0.162 4.502 4.340 0.000 0.000 0.270 2041 Q C 0.137 176.138 176.000 0.002 0.000 1.002 2041 Q CA 0.159 55.890 55.803 -0.120 0.000 0.888 2041 Q CB 0.964 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 0.414 4.534 4.120 0.000 0.000 0.260 2042 V C 0.112 176.223 176.094 0.027 0.000 1.324 2042 V CA 0.483 62.817 62.300 0.057 0.000 1.068 2042 V CB 0.333 32.235 31.823 0.132 0.000 0.837 2042 V HN 0.840 nan 8.190 nan 0.000 0.450 2043 E N -0.567 119.630 120.200 -0.005 0.000 2.400 2043 E HA 0.539 4.889 4.350 0.000 0.000 0.285 2043 E C -1.642 174.909 176.600 -0.081 0.000 1.005 2043 E CA -0.310 56.089 56.400 -0.002 0.000 0.816 2043 E CB 2.257 32.016 29.700 0.098 0.000 1.220 2043 E HN 0.231 nan 8.360 nan 0.000 0.426 2044 T N 3.000 117.438 114.554 -0.192 0.000 2.952 2044 T HA 0.469 4.819 4.350 0.000 0.000 0.305 2044 T C -1.248 173.161 174.700 -0.484 0.000 1.064 2044 T CA -0.691 61.193 62.100 -0.359 0.000 1.008 2044 T CB 1.703 70.435 68.868 -0.226 0.000 1.078 2044 T HN 0.385 nan 8.240 nan 0.000 0.459 2045 Q N 0.923 120.230 119.800 -0.822 0.000 2.377 2045 Q HA 0.538 4.878 4.340 0.000 0.000 0.279 2045 Q C -1.377 174.355 176.000 -0.446 0.000 1.049 2045 Q CA -0.796 54.648 55.803 -0.598 0.000 0.825 2045 Q CB 2.833 31.168 28.738 -0.672 0.000 1.401 2045 Q HN 0.579 nan 8.270 nan 0.000 0.404 2046 T N 2.623 117.065 114.554 -0.187 0.000 2.824 2046 T HA 0.763 5.113 4.350 0.000 0.000 0.282 2046 T C -1.031 173.685 174.700 0.028 0.000 0.993 2046 T CA -0.427 61.586 62.100 -0.144 0.000 0.967 2046 T CB 0.378 69.168 68.868 -0.131 0.000 0.960 2046 T HN 0.448 nan 8.240 nan 0.000 0.441 2047 F N -0.045 119.820 119.950 -0.142 0.000 2.685 2047 F HA 0.746 5.273 4.527 0.000 0.000 0.315 2047 F C -1.383 174.401 175.800 -0.027 0.000 1.126 2047 F CA -1.340 56.641 58.000 -0.032 0.000 0.950 2047 F CB 1.208 40.266 39.000 0.097 0.000 1.360 2047 F HN 0.294 nan 8.300 nan 0.000 0.469 2048 D N 1.901 122.411 120.400 0.183 0.000 2.329 2048 D HA 0.428 5.068 4.640 0.000 0.000 0.232 2048 D C -2.093 174.362 176.300 0.258 0.000 1.088 2048 D CA -2.585 51.470 54.000 0.092 0.000 0.835 2048 D CB 2.069 42.932 40.800 0.105 0.000 1.078 2048 D HN 0.218 nan 8.370 nan 0.000 0.495 2049 P HA -0.100 nan 4.420 nan 0.000 0.220 2049 P C 0.895 178.326 177.300 0.219 0.000 1.144 2049 P CA 1.058 64.308 63.100 0.251 0.000 0.800 2049 P CB 0.278 31.984 31.700 0.009 0.000 0.772 2050 A N -0.626 122.308 122.820 0.189 0.000 2.015 2050 A HA -0.182 4.138 4.320 0.000 0.000 0.219 2050 A C 2.062 179.719 177.584 0.122 0.000 1.163 2050 A CA 1.593 53.722 52.037 0.153 0.000 0.646 2050 A CB -0.923 18.158 19.000 0.134 0.000 0.806 2050 A HN 0.157 nan 8.150 nan 0.000 0.448 2051 N N -0.375 118.406 118.700 0.135 0.000 2.305 2051 N HA 0.040 4.780 4.740 0.000 0.000 0.179 2051 N C 0.572 176.118 175.510 0.060 0.000 1.019 2051 N CA 1.044 54.151 53.050 0.094 0.000 0.869 2051 N CB 0.078 38.627 38.487 0.103 0.000 1.000 2051 N HN 0.774 nan 8.380 nan 0.000 0.431 2052 R N -1.345 119.214 120.500 0.098 0.000 2.634 2052 R HA 0.435 4.775 4.340 0.000 0.000 0.263 2052 R C -0.544 175.762 176.300 0.010 0.000 1.060 2052 R CA -0.517 55.556 56.100 -0.046 0.000 0.898 2052 R CB 0.884 31.040 30.300 -0.241 0.000 1.253 2052 R HN -0.042 nan 8.270 nan 0.000 0.461 2053 S N -0.454 115.206 115.700 -0.068 0.000 2.744 2053 S HA 0.186 4.656 4.470 0.000 0.000 0.265 2053 S C -0.119 174.558 174.600 0.128 0.000 1.065 2053 S CA -0.166 58.109 58.200 0.126 0.000 1.191 2053 S CB 0.787 64.111 63.200 0.207 0.000 1.150 2053 S HN 0.242 nan 8.310 nan 0.000 0.646 2054 V N 2.984 122.790 119.914 -0.180 0.000 2.398 2054 V HA 0.660 4.780 4.120 0.000 0.000 0.286 2054 V C -1.205 174.620 176.094 -0.449 0.000 1.026 2054 V CA -0.427 61.780 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 1.640 121.521 119.950 -0.116 0.000 2.563 2055 F HA 0.539 5.066 4.527 0.000 0.000 0.316 2055 F C 0.113 175.833 175.800 -0.133 0.000 1.076 2055 F CA -0.861 57.070 58.000 -0.115 0.000 0.921 2055 F CB 2.078 41.019 39.000 -0.098 0.000 1.209 2055 F HN 0.394 nan 8.300 nan 0.000 0.462 2056 D N 2.427 122.857 120.400 0.050 0.000 2.471 2056 D HA 0.381 5.021 4.640 0.000 0.000 0.245 2056 D C -1.015 175.294 176.300 0.015 0.000 1.116 2056 D CA -0.108 53.883 54.000 -0.015 0.000 0.853 2056 D CB 2.544 43.312 40.800 -0.054 0.000 1.123 2056 D HN 0.107 nan 8.370 nan 0.000 0.540 2057 V N 2.178 122.075 119.914 -0.029 0.000 2.439 2057 V HA 0.258 4.378 4.120 0.000 0.000 0.282 2057 V C 0.602 176.669 176.094 -0.046 0.000 1.039 2057 V CA -0.253 62.038 62.300 -0.015 0.000 0.913 2057 V CB 1.743 33.532 31.823 -0.056 0.000 0.983 2057 V HN 0.461 nan 8.190 nan 0.000 0.460 2058 T N 7.214 121.764 114.554 -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 -0.007 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 -0.532 176.824 177.300 0.094 0.000 1.266 2059 P CA -0.650 62.533 63.100 0.139 0.000 0.793 2059 P CB 0.685 32.581 31.700 0.328 0.000 1.074 2060 A N 1.001 123.866 122.820 0.074 0.000 2.371 2060 A HA 0.172 4.492 4.320 0.000 0.000 0.257 2060 A C 0.298 177.853 177.584 -0.047 0.000 1.089 2060 A CA -0.487 51.544 52.037 -0.009 0.000 0.794 2060 A CB -0.699 18.265 19.000 -0.061 0.000 1.029 2060 A HN 0.588 nan 8.150 nan 0.000 0.488 2061 N N 0.856 119.524 118.700 -0.053 0.000 3.083 2061 N HA 0.398 5.138 4.740 0.000 0.000 0.260 2061 N C -1.373 174.076 175.510 -0.102 0.000 1.163 2061 N CA -0.175 52.845 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 0.345 nan 8.380 nan 0.000 0.515 2062 V N 0.956 120.739 119.914 -0.218 0.000 2.483 2062 V HA 0.559 4.679 4.120 0.000 0.000 0.297 2062 V C 1.005 176.973 176.094 -0.210 0.000 1.027 2062 V CA -0.643 61.500 62.300 -0.262 0.000 0.855 2062 V CB 1.050 32.582 31.823 -0.485 0.000 0.995 2062 V HN 0.733 nan 8.190 nan 0.000 0.424 2063 G N 5.282 114.042 108.800 -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 -0.083 174.806 174.900 -0.019 0.000 1.301 2063 G CA 0.502 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 0.766 121.347 120.570 0.018 0.000 2.304 2064 I HA 0.368 4.538 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 1.548 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 7.613 127.534 119.914 0.011 0.000 2.461 2065 V HA 0.149 4.269 4.120 0.000 0.000 0.275 2065 V C 0.878 176.922 176.094 -0.084 0.000 1.047 2065 V CA -0.216 62.058 62.300 -0.043 0.000 0.955 2065 V CB 1.141 32.901 31.823 -0.105 0.000 0.988 2065 V HN 0.747 nan 8.190 nan 0.000 0.471 2066 K N 2.916 123.272 120.400 -0.074 0.000 2.276 2066 K HA 0.471 4.791 4.320 0.000 0.000 0.198 2066 K C 0.824 177.358 176.600 -0.111 0.000 1.052 2066 K CA 0.716 57.002 56.287 -0.001 0.000 0.984 2066 K CB 0.601 33.183 32.500 0.136 0.000 0.836 2066 K HN 0.921 nan 8.250 nan 0.000 0.490 2067 G N -0.171 108.349 108.800 -0.468 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 -1.959 172.094 174.900 -1.412 0.000 1.287 2067 G CA -1.041 43.439 45.100 -1.032 0.000 0.850 2067 G HN -0.013 nan 8.290 nan 0.000 0.515 2068 F N -0.481 118.867 119.950 -1.003 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 -0.217 0.000 1.121 2068 F CA -0.809 56.952 58.000 -0.398 0.000 0.911 2068 F CB 2.347 41.215 39.000 -0.221 0.000 1.179 2068 F HN 0.421 nan 8.300 nan 0.000 0.443 2069 L N 4.490 125.976 121.223 0.438 0.000 2.272 2069 L HA 0.715 5.055 4.340 0.000 0.000 0.289 2069 L C -1.043 176.168 176.870 0.568 0.000 1.032 2069 L CA -0.504 54.731 54.840 0.658 0.000 0.810 2069 L CB 1.102 43.583 42.059 0.702 0.000 1.205 2069 L HN 0.401 nan 8.230 nan 0.000 0.422 2070 V N 5.691 125.902 119.914 0.495 0.000 2.357 2070 V HA 0.394 4.514 4.120 0.000 0.000 0.284 2070 V C 0.063 176.335 176.094 0.297 0.000 1.018 2070 V CA -0.803 61.725 62.300 0.380 0.000 0.841 2070 V CB 1.151 33.134 31.823 0.266 0.000 0.991 2070 V HN 0.718 nan 8.190 nan 0.000 0.437 2071 K N 4.294 124.788 120.400 0.156 0.000 2.201 2071 K HA 0.691 5.011 4.320 0.000 0.000 0.278 2071 K C -1.335 175.244 176.600 -0.035 0.000 1.027 2071 K CA -0.365 55.749 56.287 -0.289 0.000 0.909 2071 K CB 1.534 33.900 32.500 -0.224 0.000 1.062 2071 K HN 0.502 nan 8.250 nan 0.000 0.465 2072 V N 3.507 123.379 119.914 -0.071 0.000 2.531 2072 V HA 0.358 4.478 4.120 0.000 0.000 0.301 2072 V C -0.297 175.810 176.094 0.021 0.000 1.034 2072 V CA -0.841 61.521 62.300 0.103 0.000 0.865 2072 V CB 1.628 33.638 31.823 0.312 0.000 0.995 2072 V HN 1.013 nan 8.190 nan 0.000 0.424 2073 T N 1.268 115.825 114.554 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 -0.472 61.634 62.100 0.010 0.000 1.015 2073 T CB 2.343 71.207 68.868 -0.006 0.000 1.103 2073 T HN 1.430 nan 8.240 nan 0.000 0.496 2074 A N 0.484 123.345 122.820 0.068 0.000 2.612 2074 A HA 0.908 5.228 4.320 0.000 0.000 0.293 2074 A C -1.062 176.606 177.584 0.141 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 1.722 nan 8.150 nan 0.000 0.411 2075 A N 1.117 124.027 122.820 0.149 0.000 2.330 2075 A HA 0.774 5.094 4.320 0.000 0.000 0.313 2075 A C -0.909 176.742 177.584 0.110 0.000 1.124 2075 A CA -0.270 51.823 52.037 0.094 0.000 0.774 2075 A CB 0.408 19.435 19.000 0.045 0.000 1.198 2075 A HN 0.766 nan 8.150 nan 0.000 0.465 2076 I N 1.948 122.528 120.570 0.018 0.000 2.436 2076 I HA 0.374 4.544 4.170 0.000 0.000 0.289 2076 I C -0.281 175.738 176.117 -0.162 0.000 1.010 2076 I CA -0.244 60.994 61.300 -0.102 0.000 1.098 2076 I CB 2.572 40.477 38.000 -0.159 0.000 1.266 2076 I HN 0.560 nan 8.210 nan 0.000 0.434 2077 T N 4.229 118.673 114.554 -0.184 0.000 2.797 2077 T HA 0.241 4.591 4.350 0.000 0.000 0.279 2077 T C -0.183 174.358 174.700 -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 2.908 121.461 118.700 -0.245 0.000 2.500 2078 N HA 0.138 4.878 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 -0.455 52.447 53.050 -0.247 0.000 0.935 2078 N CB 0.254 38.604 38.487 -0.228 0.000 1.147 2078 N HN 0.395 nan 8.380 nan 0.000 0.512 2079 N N 1.422 120.045 118.700 -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 0.085 53.084 53.050 -0.086 0.000 0.878 2079 N CB -0.150 38.284 38.487 -0.089 0.000 0.972 2079 N HN 0.647 nan 8.380 nan 0.000 0.456 2080 H N 0.459 119.461 119.070 -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 0.324 56.321 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 2.752 125.388 122.820 -0.307 0.000 1.930 2081 A HA -0.139 4.181 4.320 0.000 0.000 0.217 2081 A C 1.977 179.580 177.584 0.031 0.000 1.175 2081 A CA 2.113 54.074 52.037 -0.128 0.000 0.627 2081 A CB -0.473 18.416 19.000 -0.185 0.000 0.815 2081 A HN 0.872 nan 8.150 nan 0.000 0.443 2082 T N -4.836 109.861 114.554 0.237 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 0.136 0.000 0.939 2082 T CA -0.223 61.983 62.100 0.177 0.000 0.910 2082 T CB 0.117 69.061 68.868 0.128 0.000 1.226 2082 T HN 0.214 nan 8.240 nan 0.000 0.508 2083 E N 1.677 121.958 120.200 0.135 0.000 2.242 2083 E HA 0.732 5.082 4.350 0.000 0.000 0.275 2083 E C -0.279 176.238 176.600 -0.139 0.000 1.002 2083 E CA -0.464 55.846 56.400 -0.151 0.000 0.841 2083 E CB 1.955 31.393 29.700 -0.437 0.000 1.109 2083 E HN 0.527 nan 8.360 nan 0.000 0.394 2084 A N 1.607 124.366 122.820 -0.103 0.000 2.247 2084 A HA 0.687 5.007 4.320 0.000 0.000 0.313 2084 A C -0.115 177.419 177.584 -0.083 0.000 1.109 2084 A CA -0.544 51.444 52.037 -0.081 0.000 0.890 2084 A CB 0.762 19.736 19.000 -0.043 0.000 1.239 2084 A HN 0.399 nan 8.150 nan 0.000 0.506 2085 V N -4.015 115.867 119.914 -0.054 0.000 3.078 2085 V HA 0.943 5.063 4.120 0.000 0.000 0.311 2085 V C -0.238 175.943 176.094 0.144 0.000 1.138 2085 V CA -0.323 61.993 62.300 0.028 0.000 1.007 2085 V CB 1.109 32.945 31.823 0.022 0.000 1.045 2085 V HN 1.892 nan 8.190 nan 0.000 0.432 2086 A N 2.603 125.563 122.820 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 -0.987 51.197 52.037 0.245 0.000 0.750 2086 A CB 1.491 20.553 19.000 0.103 0.000 1.296 2086 A HN 1.089 nan 8.150 nan 0.000 0.423 2087 L N 1.831 123.066 121.223 0.020 0.000 2.514 2087 L HA 0.163 4.503 4.340 0.000 0.000 0.280 2087 L C 1.505 178.279 176.870 -0.160 0.000 1.223 2087 L CA 0.072 54.721 54.840 -0.318 0.000 0.864 2087 L CB 0.551 42.458 42.059 -0.253 0.000 1.118 2087 L HN 1.004 nan 8.230 nan 0.000 0.494 2088 T N -1.947 112.487 114.554 -0.200 0.000 2.732 2088 T HA 0.078 4.428 4.350 0.000 0.000 0.287 2088 T C 0.749 175.374 174.700 -0.125 0.000 0.993 2088 T CA -0.757 61.245 62.100 -0.162 0.000 0.966 2088 T CB 0.749 69.489 68.868 -0.213 0.000 1.047 2088 T HN 0.506 nan 8.240 nan 0.000 0.527 2089 D N -0.270 120.031 120.400 -0.165 0.000 2.178 2089 D HA -0.003 4.637 4.640 0.000 0.000 0.201 2089 D C 1.536 178.000 176.300 0.274 0.000 0.980 2089 D CA 1.030 55.027 54.000 -0.005 0.000 0.842 2089 D CB -0.224 40.524 40.800 -0.086 0.000 0.948 2089 D HN 0.467 nan 8.370 nan 0.000 0.472 2090 F N 0.186 120.080 119.950 -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 -0.071 0.000 1.097 2090 F HN -0.022 nan 8.300 nan 0.000 0.547 2091 G N 2.629 111.461 108.800 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 -1.118 173.763 174.900 -0.033 0.000 1.286 2091 G CA 0.556 45.604 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 1.653 178.959 177.300 0.010 0.000 1.148 2092 P CA 2.409 65.518 63.100 0.015 0.000 0.779 2092 P CB -0.395 31.306 31.700 0.001 0.000 0.780 2093 A N 0.082 122.865 122.820 -0.061 0.000 2.121 2093 A HA -0.106 4.214 4.320 0.000 0.000 0.218 2093 A C 1.859 179.567 177.584 0.207 0.000 1.154 2093 A CA 1.055 53.045 52.037 -0.078 0.000 0.679 2093 A CB -1.015 17.820 19.000 -0.275 0.000 0.795 2093 A HN 0.128 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 0.176 4.916 4.740 0.000 0.000 0.200 2094 N C 1.094 176.742 175.510 0.230 0.000 1.135 2094 N CA 0.090 53.285 53.050 0.242 0.000 0.835 2094 N CB 0.048 38.665 38.487 0.216 0.000 0.989 2094 N HN 0.478 nan 8.380 nan 0.000 0.478 2095 L N -0.284 121.108 121.223 0.282 0.000 2.141 2095 L HA -0.017 4.323 4.340 0.000 0.000 0.209 2095 L C 0.350 177.398 176.870 0.296 0.000 1.094 2095 L CA 0.825 55.861 54.840 0.327 0.000 0.763 2095 L CB 0.177 42.451 42.059 0.359 0.000 0.908 2095 L HN -0.112 nan 8.230 nan 0.000 0.437 2096 V N 0.044 120.055 119.914 0.161 0.000 2.370 2096 V HA 0.117 4.237 4.120 0.000 0.000 0.283 2096 V C 0.557 176.546 176.094 -0.175 0.000 1.023 2096 V CA -0.517 61.638 62.300 -0.241 0.000 0.857 2096 V CB 1.657 33.022 31.823 -0.763 0.000 0.985 2096 V HN 0.188 nan 8.190 nan 0.000 0.443 2097 Q N 3.510 123.220 119.800 -0.149 0.000 2.089 2097 Q HA 0.208 4.548 4.340 0.000 0.000 0.195 2097 Q C 0.550 176.450 176.000 -0.167 0.000 0.963 2097 Q CA 1.046 56.806 55.803 -0.072 0.000 0.834 2097 Q CB 0.418 29.151 28.738 -0.009 0.000 0.906 2097 Q HN 0.588 nan 8.270 nan 0.000 0.452 2098 R N -0.554 119.800 120.500 -0.243 0.000 2.668 2098 R HA 0.582 4.922 4.340 0.000 0.000 0.272 2098 R C -1.429 174.677 176.300 -0.325 0.000 1.019 2098 R CA -0.438 55.509 56.100 -0.256 0.000 0.894 2098 R CB 2.498 32.700 30.300 -0.162 0.000 1.228 2098 R HN -0.158 nan 8.270 nan 0.000 0.460 2099 V N 3.621 123.348 119.914 -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 1.944 33.545 31.823 -0.370 0.000 0.996 2099 V HN 0.539 nan 8.190 nan 0.000 0.425 2100 I N 4.650 125.103 120.570 -0.196 0.000 2.607 2100 I HA 0.484 4.654 4.170 0.000 0.000 0.290 2100 I C -1.140 174.873 176.117 -0.173 0.000 1.129 2100 I CA -0.509 60.680 61.300 -0.184 0.000 1.042 2100 I CB 2.005 39.930 38.000 -0.125 0.000 1.242 2100 I HN 0.649 nan 8.210 nan 0.000 0.421 2101 Y N 6.006 126.084 120.300 -0.369 0.000 2.429 2101 Y HA 0.719 5.269 4.550 0.000 0.000 0.342 2101 Y C -1.732 173.902 175.900 -0.442 0.000 1.004 2101 Y CA -0.876 57.032 58.100 -0.319 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 4.128 123.864 120.300 -0.941 0.000 2.391 2102 Y HA 0.295 4.845 4.550 0.000 0.000 0.341 2102 Y C -0.267 175.049 175.900 -0.973 0.000 0.965 2102 Y CA -1.133 56.594 58.100 -0.621 0.000 1.067 2102 Y CB 1.305 39.569 38.460 -0.326 0.000 1.199 2102 Y HN 0.720 nan 8.280 nan 0.000 0.450 2103 D N 2.461 122.682 120.400 -0.299 0.000 2.433 2103 D HA 0.241 4.881 4.640 0.000 0.000 0.255 2103 D C -2.191 174.096 176.300 -0.022 0.000 1.226 2103 D CA -2.194 51.738 54.000 -0.113 0.000 1.015 2103 D CB 0.311 41.220 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 0.123 177.442 177.300 0.031 0.000 1.146 2104 P CA 1.105 64.221 63.100 0.025 0.000 0.808 2104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 2105 D N -1.892 118.545 120.400 0.061 0.000 2.328 2105 D HA 0.018 4.658 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 0.192 54.228 54.000 0.059 0.000 0.861 2105 D CB -1.031 39.815 40.800 0.077 0.000 0.912 2105 D HN 0.210 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 -0.225 175.403 175.510 0.197 0.000 1.101 2106 N CA 0.074 53.170 53.050 0.076 0.000 0.764 2106 N CB -0.414 38.071 38.487 -0.004 0.000 1.122 2106 N HN 0.135 nan 8.380 nan 0.000 0.561 2107 Q N 1.612 121.530 119.800 0.197 0.000 2.267 2107 Q HA 0.267 4.607 4.340 0.000 0.000 0.255 2107 Q C -0.240 175.893 176.000 0.220 0.000 0.923 2107 Q CA -0.280 55.639 55.803 0.194 0.000 0.925 2107 Q CB 0.902 29.723 28.738 0.138 0.000 1.195 2107 Q HN 0.260 nan 8.270 nan 0.000 0.417 2108 R N 3.729 124.282 120.500 0.089 0.000 2.438 2108 R HA 0.193 4.533 4.340 0.000 0.000 0.287 2108 R C -0.107 176.166 176.300 -0.044 0.000 1.077 2108 R CA 0.063 56.042 56.100 -0.202 0.000 1.034 2108 R CB 0.415 30.557 30.300 -0.264 0.000 0.993 2108 R HN 0.876 nan 8.270 nan 0.000 0.459 2109 H N 1.031 120.017 119.070 -0.140 0.000 4.873 2109 H HA 0.149 4.705 4.556 0.000 0.000 0.150 2109 H C 0.037 175.262 175.328 -0.172 0.000 1.395 2109 H CA -0.462 55.543 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 1.790 116.321 114.554 -0.038 0.000 2.928 2110 T HA 0.011 4.361 4.350 0.000 0.000 0.305 2110 T C 0.250 174.858 174.700 -0.154 0.000 1.035 2110 T CA 0.605 62.605 62.100 -0.167 0.000 1.145 2110 T CB 0.243 68.973 68.868 -0.229 0.000 0.963 2110 T HN 0.369 nan 8.240 nan 0.000 0.545 2111 E N 2.393 122.513 120.200 -0.134 0.000 2.649 2111 E HA 0.334 4.684 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 56.000 56.400 -0.120 0.000 0.772 2111 E CB 1.099 30.748 29.700 -0.085 0.000 1.513 2111 E HN 0.664 nan 8.360 nan 0.000 0.384 2112 T N 0.469 114.938 114.554 -0.143 0.000 2.671 2112 T HA 0.408 4.758 4.350 0.000 0.000 0.300 2112 T C -0.892 173.650 174.700 -0.263 0.000 1.238 2112 T CA -0.171 61.837 62.100 -0.153 0.000 1.020 2112 T CB 1.213 70.053 68.868 -0.047 0.000 1.503 2112 T HN 0.357 nan 8.240 nan 0.000 0.497 2113 S N -0.068 115.391 115.700 -0.403 0.000 2.610 2113 S HA 0.495 4.965 4.470 0.000 0.000 0.273 2113 S C 1.602 175.892 174.600 -0.516 0.000 1.274 2113 S CA 0.013 57.891 58.200 -0.537 0.000 1.023 2113 S CB 0.930 63.517 63.200 -1.022 0.000 0.962 2113 S HN 1.062 nan 8.310 nan 0.000 0.523 2114 G N 1.297 109.869 108.800 -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 1.316 176.177 174.900 -0.065 0.000 1.158 2114 G CA 0.775 45.706 45.100 -0.282 0.000 0.771 2114 G HN 0.960 nan 8.290 nan 0.000 0.545 2115 W N 0.213 121.460 121.300 -0.088 0.000 2.363 2115 W HA -0.055 4.605 4.660 0.000 0.000 0.296 2115 W C 1.795 178.001 176.519 -0.522 0.000 1.212 2115 W CA 0.877 57.977 57.345 -0.409 0.000 1.260 2115 W CB -1.086 28.101 29.460 -0.455 0.000 1.131 2115 W HN 0.425 nan 8.180 nan 0.000 0.530 2116 H N 1.171 119.824 119.070 -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 1.763 57.552 56.048 -0.431 0.000 1.334 2116 H CB -0.098 29.220 29.762 -0.741 0.000 1.385 2116 H HN 0.104 nan 8.280 nan 0.000 0.504 2117 L N 1.035 122.016 121.223 -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 -0.175 0.000 1.076 2117 L CA 2.427 57.068 54.840 -0.332 0.000 0.749 2117 L CB -1.155 40.772 42.059 -0.219 0.000 0.893 2117 L HN 0.371 nan 8.230 nan 0.000 0.432 2118 H N -1.060 117.923 119.070 -0.144 0.000 2.353 2118 H HA -0.184 4.372 4.556 0.000 0.000 0.300 2118 H C 1.930 177.232 175.328 -0.042 0.000 1.090 2118 H CA 2.226 58.188 56.048 -0.145 0.000 1.327 2118 H CB -0.548 29.105 29.762 -0.182 0.000 1.383 2118 H HN 0.469 nan 8.280 nan 0.000 0.508 2119 F N -0.775 119.081 119.950 -0.157 0.000 2.216 2119 F HA -0.154 4.373 4.527 0.000 0.000 0.300 2119 F C 2.508 178.254 175.800 -0.089 0.000 1.085 2119 F CA 0.537 58.496 58.000 -0.069 0.000 1.326 2119 F CB -0.030 38.964 39.000 -0.010 0.000 1.027 2119 F HN 0.083 nan 8.300 nan 0.000 0.497 2120 V N 0.244 120.158 119.914 -0.001 0.000 2.453 2120 V HA -0.281 3.839 4.120 0.000 0.000 0.247 2120 V C 1.637 177.671 176.094 -0.101 0.000 1.048 2120 V CA 1.946 64.225 62.300 -0.036 0.000 1.049 2120 V CB -0.781 30.952 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 1.790 54.555 53.050 -0.474 0.000 0.853 2121 N CB -0.207 37.550 38.487 -1.215 0.000 1.008 2121 N HN 0.411 nan 8.380 nan 0.000 0.424 2122 T N 0.599 115.042 114.554 -0.185 0.000 2.708 2122 T HA -0.101 4.249 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 1.216 63.284 62.100 -0.055 0.000 1.146 2122 T CB -0.340 68.471 68.868 -0.095 0.000 0.865 2122 T HN 0.332 nan 8.240 nan 0.000 0.435 2123 A N 1.647 124.443 122.820 -0.040 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 1.693 53.672 52.037 -0.097 0.000 0.627 2123 A CB -0.424 18.486 19.000 -0.150 0.000 0.818 2123 A HN 0.477 nan 8.150 nan 0.000 0.445 2124 K N -0.956 119.441 120.400 -0.004 0.000 2.296 2124 K HA -0.085 4.235 4.320 0.000 0.000 0.200 2124 K C 2.225 178.813 176.600 -0.021 0.000 1.048 2124 K CA 1.141 57.419 56.287 -0.015 0.000 0.966 2124 K CB -0.033 32.433 32.500 -0.057 0.000 0.754 2124 K HN 0.695 nan 8.250 nan 0.000 0.466 2125 Q N -0.042 119.762 119.800 0.007 0.000 2.212 2125 Q HA -0.063 4.277 4.340 0.000 0.000 0.199 2125 Q C 0.770 176.760 176.000 -0.016 0.000 0.950 2125 Q CA 1.215 57.029 55.803 0.019 0.000 0.863 2125 Q CB 0.377 29.177 28.738 0.104 0.000 0.944 2125 Q HN 0.390 nan 8.270 nan 0.000 0.465 2126 G N -0.522 108.261 108.800 -0.029 0.000 2.141 2126 G HA2 -0.144 3.816 3.960 0.000 0.000 0.231 2126 G HA3 -0.144 3.816 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 0.165 45.239 45.100 -0.044 0.000 0.660 2126 G HN 0.832 nan 8.290 nan 0.000 0.525 2127 A N -1.321 121.454 122.820 -0.074 0.000 2.567 2127 A HA 0.785 5.105 4.320 0.000 0.000 0.291 2127 A C -3.151 174.396 177.584 -0.061 0.000 1.048 2127 A CA -0.691 51.294 52.037 -0.087 0.000 0.661 2127 A CB 0.620 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 -0.361 177.000 177.300 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 31.578 31.700 0.020 0.000 0.764 2129 F N 5.801 125.746 119.950 -0.008 0.000 2.580 2129 F HA -0.058 4.469 4.527 0.000 0.000 0.398 2129 F C 1.143 176.962 175.800 0.031 0.000 1.023 2129 F CA 0.345 58.352 58.000 0.012 0.000 1.188 2129 F CB -0.461 38.566 39.000 0.046 0.000 1.005 2129 F HN 0.271 nan 8.300 nan 0.000 0.546 2130 L N 3.558 124.442 121.223 -0.566 0.000 3.839 2130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 2130 L C 0.614 177.339 176.870 -0.241 0.000 1.195 2130 L CA 0.553 55.069 54.840 -0.538 0.000 0.946 2130 L CB -2.381 39.204 42.059 -0.790 0.000 1.891 2130 L HN 0.720 nan 8.230 nan 0.000 0.963 2131 S N -1.863 113.758 115.700 -0.131 0.000 2.632 2131 S HA 0.532 5.002 4.470 0.000 0.000 0.267 2131 S C 0.301 174.855 174.600 -0.078 0.000 1.276 2131 S CA -0.059 58.101 58.200 -0.067 0.000 0.998 2131 S CB 2.195 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 1.879 117.549 115.700 -0.050 0.000 2.438 2132 S HA 0.454 4.924 4.470 0.000 0.000 0.316 2132 S C -0.051 174.529 174.600 -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 4.304 123.876 119.600 -0.046 0.000 2.242 2133 M HA 0.563 5.043 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 -0.443 54.832 55.300 -0.042 0.000 1.160 2133 M CB 0.607 33.172 32.600 -0.058 0.000 1.491 2133 M HN 0.248 nan 8.290 nan 0.000 0.459 2134 V N 2.850 122.751 119.914 -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 1.126 32.946 31.823 -0.004 0.000 0.983 2134 V HN 1.111 nan 8.190 nan 0.000 0.460 2135 T N -0.222 114.326 114.554 -0.010 0.000 2.804 2135 T HA 0.352 4.702 4.350 0.000 0.000 0.290 2135 T C 0.265 174.967 174.700 0.004 0.000 1.099 2135 T CA -0.246 61.845 62.100 -0.015 0.000 1.011 2135 T CB 1.893 70.737 68.868 -0.040 0.000 1.291 2135 T HN 0.621 nan 8.240 nan 0.000 0.523 2136 D N -0.163 120.238 120.400 0.002 0.000 2.328 2136 D HA 0.080 4.720 4.640 0.000 0.000 0.226 2136 D C 0.639 176.955 176.300 0.026 0.000 1.066 2136 D CA -0.194 53.813 54.000 0.011 0.000 0.861 2136 D CB -0.346 40.457 40.800 0.005 0.000 0.912 2136 D HN 0.385 nan 8.370 nan 0.000 0.521 2137 S N 1.817 117.541 115.700 0.041 0.000 2.525 2137 S HA 0.090 4.560 4.470 0.000 0.000 0.285 2137 S C -1.043 173.610 174.600 0.088 0.000 1.283 2137 S CA -0.929 57.321 58.200 0.082 0.000 1.072 2137 S CB 1.012 64.306 63.200 0.156 0.000 0.867 2137 S HN 0.098 nan 8.310 nan 0.000 0.492 2138 P HA 0.070 nan 4.420 nan 0.000 0.225 2138 P C 0.139 177.456 177.300 0.029 0.000 1.156 2138 P CA 0.312 63.435 63.100 0.039 0.000 0.787 2138 P CB -0.030 31.685 31.700 0.025 0.000 0.802 2139 I N 1.106 121.707 120.570 0.052 0.000 2.648 2139 I HA -0.022 4.148 4.170 0.000 0.000 0.284 2139 I C 1.360 177.426 176.117 -0.086 0.000 1.153 2139 I CA 0.286 61.560 61.300 -0.044 0.000 1.426 2139 I CB 0.196 38.165 38.000 -0.052 0.000 1.381 2139 I HN -0.271 nan 8.210 nan 0.000 0.571 2140 K N 6.502 126.795 120.400 -0.179 0.000 3.233 2140 K HA 0.079 4.399 4.320 0.000 0.000 0.283 2140 K C -0.727 175.779 176.600 -0.157 0.000 1.209 2140 K CA 0.005 56.215 56.287 -0.129 0.000 1.197 2140 K CB -0.543 31.899 32.500 -0.096 0.000 1.431 2140 K HN 0.384 nan 8.250 nan 0.000 0.326 2141 Y N 0.348 120.636 120.300 -0.020 0.000 2.281 2141 Y HA 0.320 4.870 4.550 0.000 0.000 0.337 2141 Y C 1.541 177.428 175.900 -0.023 0.000 1.304 2141 Y CA 0.540 58.625 58.100 -0.025 0.000 1.465 2141 Y CB 0.943 39.386 38.460 -0.028 0.000 1.350 2141 Y HN 0.428 nan 8.280 nan 0.000 0.575 2142 G N 0.163 109.056 108.800 0.156 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 -1.774 173.149 174.900 0.039 0.000 1.335 2142 G CA -0.828 44.317 45.100 0.074 0.000 0.982 2142 G HN 0.531 nan 8.290 nan 0.000 0.473 2143 D N 0.576 120.989 120.400 0.023 0.000 2.517 2143 D HA 0.454 5.094 4.640 0.000 0.000 0.220 2143 D C 1.385 177.692 176.300 0.011 0.000 1.158 2143 D CA 0.086 54.093 54.000 0.012 0.000 0.992 2143 D CB 0.712 41.519 40.800 0.012 0.000 1.058 2143 D HN 0.250 nan 8.370 nan 0.000 0.516 2144 V N 2.837 122.756 119.914 0.008 0.000 2.685 2144 V HA -0.028 4.092 4.120 0.000 0.000 0.244 2144 V C 1.858 177.953 176.094 0.003 0.000 1.054 2144 V CA 0.791 63.093 62.300 0.002 0.000 1.076 2144 V CB -0.128 31.692 31.823 -0.005 0.000 0.725 2144 V HN 0.559 nan 8.190 nan 0.000 0.467 2145 M N -0.466 119.135 119.600 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 0.022 0.000 1.103 2145 M CA 0.071 55.374 55.300 0.006 0.000 1.010 2145 M CB -0.589 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 1.193 119.905 118.700 0.020 0.000 2.699 2146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 2146 N C 1.029 176.577 175.510 0.063 0.000 0.993 2146 N CA 0.275 53.347 53.050 0.037 0.000 0.759 2146 N CB -1.228 37.286 38.487 0.045 0.000 0.906 2146 N HN 0.155 nan 8.380 nan 0.000 0.541 2147 V N -0.222 119.712 119.914 0.034 0.000 2.287 2147 V HA -0.113 4.007 4.120 0.000 0.000 0.248 2147 V C 1.409 177.605 176.094 0.170 0.000 1.053 2147 V CA 1.563 63.896 62.300 0.055 0.000 1.027 2147 V CB 0.015 31.752 31.823 -0.143 0.000 0.646 2147 V HN 0.409 nan 8.190 nan 0.000 0.447 2148 I N 0.491 121.112 120.570 0.085 0.000 2.410 2148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 2148 I C -1.129 175.024 176.117 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 39.767 38.000 0.067 0.000 1.262 2148 I HN 0.230 nan 8.210 nan 0.000 0.443 2149 D N 5.485 125.926 120.400 0.068 0.000 2.736 2149 D HA 0.801 5.441 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 2.321 43.160 40.800 0.065 0.000 1.587 2149 D HN 0.675 nan 8.370 nan 0.000 0.463 2150 A N 2.575 125.441 122.820 0.077 0.000 2.532 2150 A HA 0.624 4.944 4.320 0.000 0.000 0.296 2150 A C -2.822 174.841 177.584 0.131 0.000 1.058 2150 A CA -1.152 50.955 52.037 0.116 0.000 0.729 2150 A CB 1.399 20.450 19.000 0.086 0.000 1.285 2150 A HN 0.433 nan 8.150 nan 0.000 0.396 2151 P HA 0.312 nan 4.420 nan 0.000 0.268 2151 P C 0.977 178.404 177.300 0.212 0.000 1.204 2151 P CA 0.446 63.641 63.100 0.157 0.000 0.768 2151 P CB 1.324 33.098 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 1.100 178.799 177.584 0.192 0.000 1.170 2152 A CA 1.868 53.979 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 -3.719 110.942 114.554 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 1.514 70.424 68.868 0.069 0.000 1.186 2153 T HN 0.177 nan 8.240 nan 0.000 0.499 2154 I N 1.695 122.217 120.570 -0.080 0.000 2.439 2154 I HA 0.577 4.747 4.170 0.000 0.000 0.283 2154 I C 0.660 176.699 176.117 -0.130 0.000 1.023 2154 I CA -1.144 60.049 61.300 -0.179 0.000 1.100 2154 I CB 1.469 39.222 38.000 -0.411 0.000 1.238 2154 I HN 1.030 nan 8.210 nan 0.000 0.445 2155 A N 4.661 127.432 122.820 -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 0.395 19.374 19.000 -0.035 0.000 1.062 2155 A HN 0.836 nan 8.150 nan 0.000 0.496 2156 A N -0.358 122.440 122.820 -0.037 0.000 2.548 2156 A HA 0.466 4.786 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 0.861 52.889 52.037 -0.014 0.000 0.757 2156 A CB -1.093 17.925 19.000 0.029 0.000 0.996 2156 A HN 2.736 nan 8.150 nan 0.000 0.504 2157 G N 0.901 109.675 108.800 -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 0.581 175.446 174.900 -0.058 0.000 0.982 2157 G CA 0.591 45.662 45.100 -0.049 0.000 0.632 2157 G HN 2.160 nan 8.290 nan 0.000 0.529 2158 A N -0.490 122.288 122.820 -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 1.027 19.987 19.000 -0.067 0.000 1.121 2158 A HN 0.716 nan 8.150 nan 0.000 0.496 2159 T N 0.514 115.022 114.554 -0.076 0.000 2.812 2159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 2159 T C 0.168 174.830 174.700 -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 70.393 68.868 -0.049 0.000 0.948 2159 T HN 1.043 nan 8.240 nan 0.000 0.438 2160 G N 1.851 110.605 108.800 -0.077 0.000 2.420 2160 G HA2 0.647 4.607 3.960 0.000 0.000 0.331 2160 G HA3 0.647 4.607 3.960 0.000 0.000 0.331 2160 G C -0.947 173.966 174.900 0.023 0.000 1.168 2160 G CA -0.602 44.480 45.100 -0.029 0.000 0.936 2160 G HN 0.489 nan 8.290 nan 0.000 0.479 2161 E N 0.961 121.192 120.200 0.052 0.000 2.171 2161 E HA 0.446 4.796 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 2.375 32.104 29.700 0.048 0.000 1.128 2161 E HN 0.312 nan 8.360 nan 0.000 0.403 2162 L N 1.013 122.307 121.223 0.118 0.000 2.341 2162 L HA 0.666 5.006 4.340 0.000 0.000 0.267 2162 L C -0.062 176.868 176.870 0.099 0.000 1.009 2162 L CA -0.886 54.031 54.840 0.128 0.000 0.819 2162 L CB 2.063 44.230 42.059 0.180 0.000 1.323 2162 L HN 0.315 nan 8.230 nan 0.000 0.425 2163 T N 2.207 116.814 114.554 0.089 0.000 2.921 2163 T HA 0.671 5.021 4.350 0.000 0.000 0.297 2163 T C -0.830 173.909 174.700 0.066 0.000 1.013 2163 T CA -0.425 61.718 62.100 0.071 0.000 0.990 2163 T CB 2.231 71.163 68.868 0.106 0.000 1.023 2163 T HN 0.495 nan 8.240 nan 0.000 0.447 2164 M N 3.046 122.649 119.600 0.005 0.000 2.484 2164 M HA 0.690 5.170 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 -0.734 54.545 55.300 -0.035 0.000 0.892 2164 M CB 1.749 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 2.566 122.820 120.300 -0.077 0.000 2.477 2165 Y HA 0.693 5.243 4.550 0.000 0.000 0.347 2165 Y C -1.575 174.358 175.900 0.054 0.000 0.981 2165 Y CA -0.351 57.814 58.100 0.109 0.000 1.033 2165 Y CB 2.083 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 1.337 121.923 120.300 0.477 0.000 2.477 2166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 2166 Y C -0.942 175.181 175.900 0.372 0.000 0.981 2166 Y CA -1.505 56.779 58.100 0.307 0.000 1.033 2166 Y CB 1.958 40.477 38.460 0.098 0.000 1.245 2166 Y HN 0.645 nan 8.280 nan 0.000 0.455 2167 W N 5.185 126.583 121.300 0.163 0.000 2.329 2167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 2167 W C -1.836 174.709 176.519 0.044 0.000 1.054 2167 W CA -1.002 56.426 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 9.450 129.067 119.914 -0.495 0.000 2.334 2168 V HA 0.182 4.302 4.120 0.000 0.000 0.267 2168 V C -1.593 174.008 176.094 -0.822 0.000 1.040 2168 V CA -1.581 60.439 62.300 -0.467 0.000 0.866 2168 V CB 0.913 32.583 31.823 -0.256 0.000 1.019 2168 V HN 0.365 nan 8.190 nan 0.000 0.468 2169 P HA 0.371 nan 4.420 nan 0.000 0.284 2169 P C 0.069 177.245 177.300 -0.207 0.000 1.253 2169 P CA -0.275 62.637 63.100 -0.313 0.000 0.800 2169 P CB 2.441 34.259 31.700 0.197 0.000 0.961 2170 L N 1.487 122.644 121.223 -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 0.229 0.000 1.134 2170 L CA 0.121 54.919 54.840 -0.069 0.000 0.850 2170 L CB -0.833 41.066 42.059 -0.267 0.000 1.172 2170 L HN 0.325 nan 8.230 nan 0.000 0.498 2171 A N -0.935 121.998 122.820 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 0.319 0.000 1.082 2171 A CA -0.003 52.171 52.037 0.228 0.000 0.785 2171 A CB -0.013 19.079 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 1.226 177.111 175.900 -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 -0.239 0.000 0.982 2172 Y HN 0.875 nan 8.280 nan 0.000 0.515 2173 S N -2.468 113.229 115.700 -0.004 0.000 2.727 2173 S HA 0.264 4.734 4.470 0.000 0.000 0.278 2173 S C 0.307 174.909 174.600 0.004 0.000 1.186 2173 S CA -0.647 57.505 58.200 -0.080 0.000 0.836 2173 S CB 1.095 64.221 63.200 -0.123 0.000 1.186 2173 S HN 0.076 nan 8.310 nan 0.000 0.499 2174 E N 1.109 121.283 120.200 -0.045 0.000 2.274 2174 E HA -0.005 4.345 4.350 0.000 0.000 0.194 2174 E C 1.683 178.276 176.600 -0.011 0.000 0.996 2174 E CA 1.824 58.202 56.400 -0.037 0.000 0.840 2174 E CB -0.324 29.325 29.700 -0.085 0.000 0.772 2174 E HN 0.849 nan 8.360 nan 0.000 0.491 2175 T N -2.475 112.080 114.554 0.003 0.000 2.985 2175 T HA 0.058 4.408 4.350 0.000 0.000 0.254 2175 T C 0.422 175.142 174.700 0.034 0.000 1.021 2175 T CA -0.313 61.795 62.100 0.013 0.000 0.957 2175 T CB 0.434 69.306 68.868 0.008 0.000 1.047 2175 T HN -0.209 nan 8.240 nan 0.000 0.511 2176 D N 1.224 121.667 120.400 0.071 0.000 2.461 2176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 2176 D C 0.678 177.026 176.300 0.080 0.000 1.094 2176 D CA -0.678 53.373 54.000 0.086 0.000 0.868 2176 D CB 0.945 41.860 40.800 0.192 0.000 1.062 2176 D HN 0.213 nan 8.370 nan 0.000 0.530 2177 L N 2.433 123.674 121.223 0.030 0.000 2.627 2177 L HA 0.070 4.410 4.340 0.000 0.000 0.233 2177 L C 0.782 177.654 176.870 0.004 0.000 1.144 2177 L CA 0.217 55.074 54.840 0.029 0.000 0.892 2177 L CB -0.411 41.655 42.059 0.012 0.000 1.039 2177 L HN 0.257 nan 8.230 nan 0.000 0.442 2178 T N 0.789 115.309 114.554 -0.058 0.000 2.871 2178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 2178 T C 1.248 175.928 174.700 -0.032 0.000 0.998 2178 T CA 1.085 63.069 62.100 -0.193 0.000 1.162 2178 T CB 0.868 69.394 68.868 -0.570 0.000 0.947 2178 T HN 0.639 nan 8.240 nan 0.000 0.536 2179 G N 2.130 110.942 108.800 0.020 0.000 2.234 2179 G HA2 -0.098 3.862 3.960 0.000 0.000 0.235 2179 G HA3 -0.098 3.862 3.960 0.000 0.000 0.235 2179 G C 0.390 175.403 174.900 0.187 0.000 0.997 2179 G CA -0.020 45.200 45.100 0.199 0.000 0.623 2179 G HN 1.161 nan 8.290 nan 0.000 0.514 2180 A N -0.402 122.483 122.820 0.109 0.000 2.429 2180 A HA 0.611 4.931 4.320 0.000 0.000 0.242 2180 A C 0.393 178.019 177.584 0.070 0.000 1.088 2180 A CA 0.918 52.994 52.037 0.065 0.000 0.784 2180 A CB 0.783 19.809 19.000 0.044 0.000 1.038 2180 A HN 1.231 nan 8.150 nan 0.000 0.501 2181 V N 1.907 121.840 119.914 0.032 0.000 2.487 2181 V HA 0.301 4.421 4.120 0.000 0.000 0.298 2181 V C -0.553 175.569 176.094 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 33.281 31.823 0.055 0.000 0.991 2181 V HN 0.781 nan 8.190 nan 0.000 0.427 2182 L N 5.450 126.706 121.223 0.054 0.000 2.295 2182 L HA 0.663 5.003 4.340 0.000 0.000 0.288 2182 L C 0.577 177.474 176.870 0.044 0.000 1.079 2182 L CA 0.178 55.038 54.840 0.034 0.000 0.830 2182 L CB 0.684 42.765 42.059 0.036 0.000 1.200 2182 L HN 0.743 nan 8.230 nan 0.000 0.438 2183 A N 4.825 127.661 122.820 0.027 0.000 2.937 2183 A HA 0.416 4.736 4.320 0.000 0.000 0.338 2183 A C 0.343 177.934 177.584 0.012 0.000 1.273 2183 A CA -0.435 51.620 52.037 0.029 0.000 0.937 2183 A CB -0.584 18.433 19.000 0.030 0.000 1.133 2183 A HN 0.805 nan 8.150 nan 0.000 0.491 2184 N N 0.478 119.197 118.700 0.032 0.000 2.193 2184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 2184 N C -0.342 175.194 175.510 0.043 0.000 1.215 2184 N CA 0.135 53.211 53.050 0.042 0.000 0.901 2184 N CB -0.007 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 3.210 123.147 119.914 0.038 0.000 2.400 2185 V HA 0.185 4.305 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 -0.816 61.503 62.300 0.032 0.000 1.077 2185 V CB -0.321 31.521 31.823 0.031 0.000 1.054 2185 V HN 0.073 nan 8.190 nan 0.000 0.477 2186 P HA 0.405 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 1.190 64.298 63.100 0.013 0.000 0.768 2186 P CB 0.713 32.422 31.700 0.014 0.000 0.848 2187 Q N -0.221 119.582 119.800 0.004 0.000 2.376 2187 Q HA -0.194 4.146 4.340 0.000 0.000 0.187 2187 Q C 0.558 176.556 176.000 -0.004 0.000 0.603 2187 Q CA 1.492 57.295 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 0.780 nan 8.270 nan 0.000 0.930 2188 S N 0.974 116.674 115.700 -0.000 0.000 2.516 2188 S HA 0.599 5.069 4.470 0.000 0.000 0.268 2188 S C 0.080 174.677 174.600 -0.005 0.000 1.251 2188 S CA 0.059 58.257 58.200 -0.004 0.000 1.153 2188 S CB 0.144 63.348 63.200 0.006 0.000 1.009 2188 S HN 0.958 nan 8.310 nan 0.000 0.479 2189 K N 1.516 121.906 120.400 -0.018 0.000 2.154 2189 K HA 0.514 4.834 4.320 0.000 0.000 0.264 2189 K C -0.171 176.405 176.600 -0.039 0.000 1.008 2189 K CA -0.603 55.672 56.287 -0.020 0.000 0.937 2189 K CB 0.708 33.192 32.500 -0.027 0.000 1.002 2189 K HN 0.591 nan 8.250 nan 0.000 0.469 2190 Q N 0.768 120.551 119.800 -0.028 0.000 2.237 2190 Q HA 0.309 4.649 4.340 0.000 0.000 0.219 2190 Q C -0.643 175.278 176.000 -0.131 0.000 0.999 2190 Q CA -0.831 54.917 55.803 -0.092 0.000 0.959 2190 Q CB 1.098 29.864 28.738 0.047 0.000 1.173 2190 Q HN 0.569 nan 8.270 nan 0.000 0.527 2191 R N 0.569 120.918 120.500 -0.252 0.000 2.522 2191 R HA 0.420 4.760 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 -0.644 55.353 56.100 -0.172 0.000 0.925 2191 R CB 1.001 31.233 30.300 -0.112 0.000 1.205 2191 R HN 0.504 nan 8.270 nan 0.000 0.436 2192 L N 4.181 125.289 121.223 -0.190 0.000 2.318 2192 L HA 0.487 4.827 4.340 0.000 0.000 0.277 2192 L C -0.998 175.760 176.870 -0.186 0.000 1.008 2192 L CA -0.196 54.507 54.840 -0.229 0.000 0.846 2192 L CB 1.224 43.002 42.059 -0.467 0.000 1.220 2192 L HN 0.591 nan 8.230 nan 0.000 0.423 2193 K N 5.441 125.757 120.400 -0.141 0.000 2.183 2193 K HA 0.621 4.941 4.320 0.000 0.000 0.274 2193 K C -1.523 174.942 176.600 -0.225 0.000 1.009 2193 K CA -0.499 55.708 56.287 -0.132 0.000 0.888 2193 K CB 0.742 33.208 32.500 -0.056 0.000 1.078 2193 K HN 0.690 nan 8.250 nan 0.000 0.459 2194 L N 4.271 125.337 121.223 -0.262 0.000 2.349 2194 L HA 0.371 4.711 4.340 0.000 0.000 0.278 2194 L C -0.584 176.049 176.870 -0.394 0.000 0.996 2194 L CA -0.603 53.950 54.840 -0.479 0.000 0.825 2194 L CB 1.919 43.536 42.059 -0.737 0.000 1.243 2194 L HN 0.618 nan 8.230 nan 0.000 0.412 2195 E N 3.684 123.642 120.200 -0.404 0.000 2.073 2195 E HA 0.371 4.721 4.350 0.000 0.000 0.269 2195 E C -1.026 175.417 176.600 -0.262 0.000 0.917 2195 E CA -0.446 55.829 56.400 -0.208 0.000 0.757 2195 E CB 1.285 30.904 29.700 -0.135 0.000 1.111 2195 E HN 0.264 nan 8.360 nan 0.000 0.410 2196 F N 1.301 121.255 119.950 0.006 0.000 2.375 2196 F HA 0.361 4.888 4.527 0.000 0.000 0.313 2196 F C 1.177 177.001 175.800 0.041 0.000 1.176 2196 F CA -0.639 57.388 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 1.533 124.507 122.820 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 0.108 0.000 1.089 2197 A CA -0.151 51.989 52.037 0.172 0.000 0.790 2197 A CB -0.079 19.059 19.000 0.230 0.000 1.042 2197 A HN 0.893 nan 8.150 nan 0.000 0.497 2198 N N -1.056 117.752 118.700 0.179 0.000 3.316 2198 N HA 0.218 4.958 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 -0.734 52.448 53.050 0.220 0.000 0.821 2198 N CB 0.260 38.856 38.487 0.181 0.000 1.748 2198 N HN 0.296 nan 8.380 nan 0.000 0.603 2199 N N -0.534 118.415 118.700 0.414 0.000 2.520 2199 N HA -0.030 4.710 4.740 0.000 0.000 0.185 2199 N C -0.059 175.634 175.510 0.304 0.000 1.068 2199 N CA 0.666 53.986 53.050 0.449 0.000 0.911 2199 N CB -0.524 38.216 38.487 0.421 0.000 0.961 2199 N HN 0.564 nan 8.380 nan 0.000 0.446 2200 N N -0.856 117.963 118.700 0.200 0.000 2.356 2200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 2200 N C 1.465 177.036 175.510 0.102 0.000 1.075 2200 N CA 0.740 53.879 53.050 0.147 0.000 0.889 2200 N CB 0.414 38.973 38.487 0.121 0.000 0.999 2200 N HN 0.250 nan 8.380 nan 0.000 0.464 2201 T N -3.106 111.491 114.554 0.072 0.000 3.000 2201 T HA 0.316 4.666 4.350 0.000 0.000 0.248 2201 T C 1.831 176.500 174.700 -0.051 0.000 1.034 2201 T CA 0.112 62.236 62.100 0.041 0.000 1.060 2201 T CB 0.098 69.010 68.868 0.073 0.000 0.983 2201 T HN 0.035 nan 8.240 nan 0.000 0.482 2202 A N 0.771 123.451 122.820 -0.234 0.000 2.119 2202 A HA 0.431 4.751 4.320 0.000 0.000 0.216 2202 A C 0.311 177.472 177.584 -0.705 0.000 1.152 2202 A CA 0.112 51.804 52.037 -0.575 0.000 0.708 2202 A CB -0.607 17.833 19.000 -0.933 0.000 0.805 2202 A HN 0.601 nan 8.150 nan 0.000 0.460 2203 F N -0.506 119.504 119.950 0.099 0.000 2.460 2203 F HA 0.629 5.156 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 0.033 0.000 1.171 2203 F HN 0.066 nan 8.300 nan 0.000 0.436 2204 A N 2.371 125.309 122.820 0.196 0.000 2.304 2204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 2204 A C -0.099 177.542 177.584 0.096 0.000 1.195 2204 A CA -0.558 51.547 52.037 0.114 0.000 0.826 2204 A CB 0.657 19.692 19.000 0.059 0.000 1.184 2204 A HN 0.896 nan 8.150 nan 0.000 0.496 2205 A N 1.767 124.631 122.820 0.073 0.000 2.346 2205 A HA 0.527 4.847 4.320 0.000 0.000 0.252 2205 A C 0.433 178.034 177.584 0.028 0.000 1.089 2205 A CA -0.302 51.761 52.037 0.045 0.000 0.797 2205 A CB -0.028 18.996 19.000 0.040 0.000 1.047 2205 A HN 1.177 nan 8.150 nan 0.000 0.494 2206 V N 1.052 120.972 119.914 0.011 0.000 2.694 2206 V HA 0.369 4.489 4.120 0.000 0.000 0.306 2206 V C 1.717 177.815 176.094 0.007 0.000 1.054 2206 V CA 1.819 64.121 62.300 0.005 0.000 1.161 2206 V CB 0.046 31.865 31.823 -0.007 0.000 0.916 2206 V HN 1.966 nan 8.190 nan 0.000 0.490 2207 G N 3.205 112.008 108.800 0.006 0.000 2.253 2207 G HA2 -0.157 3.803 3.960 0.000 0.000 0.251 2207 G HA3 -0.157 3.803 3.960 0.000 0.000 0.251 2207 G C 0.449 175.353 174.900 0.007 0.000 0.998 2207 G CA 0.330 45.432 45.100 0.002 0.000 0.621 2207 G HN 1.517 nan 8.290 nan 0.000 0.524 2208 A N -0.143 122.687 122.820 0.017 0.000 2.287 2208 A HA 0.641 4.961 4.320 0.000 0.000 0.273 2208 A C 0.526 178.127 177.584 0.027 0.000 1.091 2208 A CA 0.186 52.237 52.037 0.023 0.000 0.817 2208 A CB 0.349 19.370 19.000 0.035 0.000 1.069 2208 A HN 0.552 nan 8.150 nan 0.000 0.492 2209 N N 1.064 119.784 118.700 0.033 0.000 2.452 2209 N HA 0.142 4.882 4.740 0.000 0.000 0.266 2209 N C -1.687 173.845 175.510 0.037 0.000 1.175 2209 N CA -1.451 51.633 53.050 0.056 0.000 0.945 2209 N CB 1.005 39.526 38.487 0.058 0.000 1.063 2209 N HN 0.342 nan 8.380 nan 0.000 0.472 2210 P HA -0.026 nan 4.420 nan 0.000 0.255 2210 P C 1.578 178.709 177.300 -0.281 0.000 1.248 2210 P CA -0.100 62.932 63.100 -0.112 0.000 0.807 2210 P CB 0.491 32.103 31.700 -0.145 0.000 1.150 2211 L N 1.659 122.723 121.223 -0.264 0.000 2.011 2211 L HA -0.211 4.129 4.340 0.000 0.000 0.225 2211 L C 1.817 178.493 176.870 -0.323 0.000 1.084 2211 L CA 2.232 56.796 54.840 -0.460 0.000 0.791 2211 L CB -0.912 41.096 42.059 -0.084 0.000 0.898 2211 L HN -0.088 nan 8.230 nan 0.000 0.440 2212 E N -0.141 120.023 120.200 -0.060 0.000 2.474 2212 E HA 0.275 4.625 4.350 0.000 0.000 0.195 2212 E C 0.732 177.360 176.600 0.047 0.000 1.039 2212 E CA 0.578 57.028 56.400 0.084 0.000 0.881 2212 E CB -0.092 29.688 29.700 0.134 0.000 0.970 2212 E HN 0.578 nan 8.360 nan 0.000 0.486 2213 A N 0.872 123.671 122.820 -0.034 0.000 2.271 2213 A HA 0.487 4.807 4.320 0.000 0.000 0.288 2213 A C 1.117 178.670 177.584 -0.052 0.000 1.094 2213 A CA -0.434 51.580 52.037 -0.039 0.000 0.828 2213 A CB 0.508 19.492 19.000 -0.027 0.000 1.091 2213 A HN 0.044 nan 8.150 nan 0.000 0.493 2214 I N -1.523 119.011 120.570 -0.060 0.000 2.810 2214 I HA 0.115 4.285 4.170 0.000 0.000 0.262 2214 I C -0.349 175.588 176.117 -0.301 0.000 1.131 2214 I CA 0.671 61.900 61.300 -0.118 0.000 1.453 2214 I CB -0.012 37.979 38.000 -0.014 0.000 1.161 2214 I HN 0.586 nan 8.210 nan 0.000 0.444 2215 Y N 0.401 120.746 120.300 0.075 0.000 2.499 2215 Y HA 0.556 5.106 4.550 0.000 0.000 0.347 2215 Y C -0.251 175.715 175.900 0.109 0.000 0.987 2215 Y CA -0.720 57.449 58.100 0.116 0.000 1.044 2215 Y CB 1.790 40.367 38.460 0.196 0.000 1.245 2215 Y HN -0.058 nan 8.280 nan 0.000 0.461 2216 Q N 1.524 121.447 119.800 0.207 0.000 2.359 2216 Q HA 0.762 5.102 4.340 0.000 0.000 0.274 2216 Q C -1.005 175.050 176.000 0.092 0.000 1.074 2216 Q CA -0.630 55.246 55.803 0.122 0.000 0.810 2216 Q CB 2.614 31.380 28.738 0.047 0.000 1.342 2216 Q HN 0.963 nan 8.270 nan 0.000 0.427 2217 G N 0.437 109.267 108.800 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 -0.374 174.495 174.900 -0.052 0.000 1.344 2217 G CA -0.133 44.967 45.100 0.001 0.000 0.851 2217 G HN 0.696 nan 8.290 nan 0.000 0.567 2218 A N -0.883 121.876 122.820 -0.101 0.000 2.172 2218 A HA 0.367 4.687 4.320 0.000 0.000 0.216 2218 A C 2.156 179.520 177.584 -0.368 0.000 1.154 2218 A CA 2.537 54.467 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 1.934 nan 8.150 nan 0.000 0.465 2219 G N -1.716 106.874 108.800 -0.352 0.000 3.126 2219 G HA2 0.339 4.299 3.960 0.000 0.000 0.224 2219 G HA3 0.339 4.299 3.960 0.000 0.000 0.224 2219 G C 1.303 176.101 174.900 -0.169 0.000 1.142 2219 G CA 0.835 45.667 45.100 -0.446 0.000 0.759 2219 G HN 0.581 nan 8.290 nan 0.000 0.550 2220 A N 1.507 124.264 122.820 -0.105 0.000 1.927 2220 A HA 0.065 4.385 4.320 0.000 0.000 0.220 2220 A C 2.752 180.318 177.584 -0.029 0.000 1.185 2220 A CA 2.327 54.342 52.037 -0.037 0.000 0.639 2220 A CB -0.730 18.315 19.000 0.076 0.000 0.820 2220 A HN 0.825 nan 8.150 nan 0.000 0.451 2221 A N -0.736 122.099 122.820 0.024 0.000 2.024 2221 A HA -0.146 4.174 4.320 0.000 0.000 0.220 2221 A C 1.357 178.950 177.584 0.015 0.000 1.164 2221 A CA 1.897 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 0.450 nan 8.150 nan 0.000 0.451 2222 D N -1.467 118.933 120.400 -0.001 0.000 2.363 2222 D HA 0.188 4.828 4.640 0.000 0.000 0.214 2222 D C -0.159 176.023 176.300 -0.196 0.000 1.093 2222 D CA -0.129 53.841 54.000 -0.050 0.000 0.837 2222 D CB -0.209 40.597 40.800 0.011 0.000 0.948 2222 D HN 0.311 nan 8.370 nan 0.000 0.507 2223 C N 1.764 120.824 119.300 -0.401 0.000 2.539 2223 C HA 0.557 5.017 4.460 0.000 0.000 0.392 2223 C C 0.571 175.094 174.990 -0.778 0.000 1.269 2223 C CA -0.545 57.986 59.018 -0.811 0.000 2.250 2223 C CB 0.146 26.945 27.740 -1.568 0.000 2.584 2223 C HN 0.384 nan 8.230 nan 0.000 0.589 2224 E N 0.989 120.843 120.200 -0.578 0.000 2.390 2224 E HA 0.485 4.835 4.350 0.000 0.000 0.280 2224 E C -1.703 174.882 176.600 -0.025 0.000 0.992 2224 E CA -0.662 55.664 56.400 -0.122 0.000 0.790 2224 E CB 0.686 30.379 29.700 -0.011 0.000 1.248 2224 E HN 0.425 nan 8.360 nan 0.000 0.447 2225 F N 1.720 121.803 119.950 0.223 0.000 2.412 2225 F HA 0.177 4.704 4.527 0.000 0.000 0.348 2225 F C 1.615 177.441 175.800 0.044 0.000 1.102 2225 F CA -0.181 57.907 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 1.707 122.024 120.200 0.196 0.000 2.122 2226 E HA -0.021 4.329 4.350 0.000 0.000 0.190 2226 E C 0.007 176.643 176.600 0.059 0.000 0.977 2226 E CA 0.756 57.210 56.400 0.090 0.000 0.820 2226 E CB 0.086 29.811 29.700 0.042 0.000 0.770 2226 E HN 0.823 nan 8.360 nan 0.000 0.462 2227 E N -0.966 119.262 120.200 0.046 0.000 2.403 2227 E HA 0.511 4.861 4.350 0.000 0.000 0.280 2227 E C -1.078 175.362 176.600 -0.266 0.000 1.101 2227 E CA -0.539 55.776 56.400 -0.142 0.000 0.856 2227 E CB 0.881 30.499 29.700 -0.137 0.000 1.303 2227 E HN -0.130 nan 8.360 nan 0.000 0.441 2228 I N 0.892 121.051 120.570 -0.685 0.000 2.686 2228 I HA 0.497 4.667 4.170 0.000 0.000 0.295 2228 I C -0.992 174.653 176.117 -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 39.634 38.000 -1.257 0.000 1.238 2228 I HN 0.530 nan 8.210 nan 0.000 0.420 2229 S N 3.819 119.271 115.700 -0.413 0.000 2.548 2229 S HA 0.723 5.193 4.470 0.000 0.000 0.286 2229 S C -1.479 173.038 174.600 -0.138 0.000 1.098 2229 S CA -0.601 57.425 58.200 -0.290 0.000 0.930 2229 S CB 1.969 65.049 63.200 -0.200 0.000 1.070 2229 S HN 0.524 nan 8.310 nan 0.000 0.480 2230 Y N -1.064 119.140 120.300 -0.160 0.000 2.553 2230 Y HA 0.864 5.414 4.550 0.000 0.000 0.347 2230 Y C -0.912 174.956 175.900 -0.055 0.000 1.019 2230 Y CA -0.873 57.189 58.100 -0.063 0.000 1.032 2230 Y CB 1.179 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 2.942 117.608 114.554 0.188 0.000 2.928 2231 T HA 0.502 4.852 4.350 0.000 0.000 0.296 2231 T C -1.451 173.343 174.700 0.156 0.000 1.000 2231 T CA -0.650 61.479 62.100 0.047 0.000 0.989 2231 T CB 1.420 70.256 68.868 -0.053 0.000 1.005 2231 T HN 0.623 nan 8.240 nan 0.000 0.442 2232 V N 4.275 124.262 119.914 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 -0.725 61.681 62.300 0.177 0.000 0.870 2232 V CB 0.589 32.519 31.823 0.179 0.000 0.984 2232 V HN 0.809 nan 8.190 nan 0.000 0.451 2233 Y N 3.161 123.641 120.300 0.300 0.000 2.341 2233 Y HA 0.495 5.045 4.550 0.000 0.000 0.337 2233 Y C 0.329 176.408 175.900 0.298 0.000 1.014 2233 Y CA -0.301 57.966 58.100 0.278 0.000 1.111 2233 Y CB 1.684 40.303 38.460 0.266 0.000 1.194 2233 Y HN 0.565 nan 8.280 nan 0.000 0.462 2234 Q N 2.246 122.284 119.800 0.397 0.000 2.290 2234 Q HA 0.444 4.784 4.340 0.000 0.000 0.259 2234 Q C -0.924 175.204 176.000 0.214 0.000 0.941 2234 Q CA -0.576 55.341 55.803 0.190 0.000 0.912 2234 Q CB 1.361 30.240 28.738 0.235 0.000 1.244 2234 Q HN 0.656 nan 8.270 nan 0.000 0.441 2235 S N 4.204 119.938 115.700 0.056 0.000 2.437 2235 S HA 0.648 5.118 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 -0.347 57.931 58.200 0.130 0.000 1.099 2235 S CB 0.269 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 1.957 122.248 120.300 -0.015 0.000 2.705 2236 Y HA 0.703 5.253 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 0.861 39.295 38.460 -0.043 0.000 1.298 2236 Y HN 0.413 nan 8.280 nan 0.000 0.459 2237 L N 2.417 123.736 121.223 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 0.153 0.000 1.013 2237 L CA -0.542 54.329 54.840 0.051 0.000 0.816 2237 L CB 1.395 43.466 42.059 0.021 0.000 1.236 2237 L HN 0.678 nan 8.230 nan 0.000 0.419 2238 D N 1.619 122.071 120.400 0.087 0.000 2.494 2238 D HA 0.235 4.875 4.640 0.000 0.000 0.259 2238 D C -0.265 176.065 176.300 0.050 0.000 1.109 2238 D CA 0.039 54.121 54.000 0.136 0.000 1.040 2238 D CB 1.098 41.999 40.800 0.169 0.000 1.175 2238 D HN 0.310 nan 8.370 nan 0.000 0.584 2239 Q N -0.054 119.780 119.800 0.057 0.000 2.452 2239 Q HA -0.179 4.161 4.340 0.000 0.000 0.318 2239 Q C -0.540 175.469 176.000 0.014 0.000 1.386 2239 Q CA 0.398 56.228 55.803 0.045 0.000 0.872 2239 Q CB -1.937 26.823 28.738 0.038 0.000 1.151 2239 Q HN 0.453 nan 8.270 nan 0.000 0.417 2240 L N 1.997 123.191 121.223 -0.049 0.000 2.490 2240 L HA 0.121 4.461 4.340 0.000 0.000 0.274 2240 L C -1.049 175.809 176.870 -0.020 0.000 1.201 2240 L CA -1.162 53.587 54.840 -0.152 0.000 0.869 2240 L CB -0.188 41.566 42.059 -0.508 0.000 1.123 2240 L HN 0.027 nan 8.230 nan 0.000 0.484 2241 P HA 0.131 nan 4.420 nan 0.000 0.271 2241 P C -0.832 176.585 177.300 0.194 0.000 1.216 2241 P CA -0.170 62.981 63.100 0.085 0.000 0.771 2241 P CB 1.337 33.063 31.700 0.044 0.000 0.864 2242 V N 2.501 122.529 119.914 0.189 0.000 2.667 2242 V HA 0.768 4.888 4.120 0.000 0.000 0.308 2242 V C 0.904 177.053 176.094 0.091 0.000 1.048 2242 V CA -0.227 62.182 62.300 0.182 0.000 0.928 2242 V CB 1.682 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 1.229 110.070 108.800 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 0.572 175.485 174.900 0.021 0.000 1.320 2243 G CA 0.458 45.583 45.100 0.042 0.000 0.982 2243 G HN 0.730 nan 8.290 nan 0.000 0.575 2244 Q N -1.866 117.944 119.800 0.016 0.000 2.084 2244 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 2244 Q C 2.126 178.128 176.000 0.003 0.000 0.978 2244 Q CA 2.414 58.222 55.803 0.007 0.000 0.844 2244 Q CB -1.605 27.138 28.738 0.008 0.000 0.898 2244 Q HN 1.296 nan 8.270 nan 0.000 0.426 2245 N N -0.397 118.309 118.700 0.010 0.000 2.313 2245 N HA 0.479 5.219 4.740 0.000 0.000 0.207 2245 N C 1.289 176.802 175.510 0.004 0.000 1.141 2245 N CA 0.972 54.026 53.050 0.007 0.000 0.830 2245 N CB -0.191 38.306 38.487 0.016 0.000 1.008 2245 N HN 1.446 nan 8.380 nan 0.000 0.481 2246 G N -0.563 108.234 108.800 -0.006 0.000 2.484 2246 G HA2 -0.187 3.773 3.960 0.000 0.000 0.225 2246 G HA3 -0.187 3.773 3.960 0.000 0.000 0.225 2246 G C -0.335 174.599 174.900 0.056 0.000 1.250 2246 G CA -0.409 44.666 45.100 -0.041 0.000 0.926 2246 G HN 0.573 nan 8.290 nan 0.000 0.581 2247 Y N 0.613 120.921 120.300 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 6.695 127.378 120.570 0.189 0.000 2.379 2248 I HA 0.151 4.321 4.170 0.000 0.000 0.290 2248 I C -0.549 175.598 176.117 0.050 0.000 1.063 2248 I CA 0.203 61.557 61.300 0.090 0.000 1.351 2248 I CB 0.200 38.238 38.000 0.063 0.000 1.410 2248 I HN 0.379 nan 8.210 nan 0.000 0.505 2249 L N 8.558 129.806 121.223 0.042 0.000 2.455 2249 L HA 0.461 4.801 4.340 0.000 0.000 0.264 2249 L C -2.517 174.359 176.870 0.011 0.000 0.968 2249 L CA -1.824 53.025 54.840 0.015 0.000 0.827 2249 L CB 2.527 44.600 42.059 0.023 0.000 1.317 2249 L HN 0.354 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 -0.203 62.891 63.100 -0.009 0.000 0.995 2250 P CB 0.699 32.388 31.700 -0.020 0.000 1.286 2251 L N 2.888 124.110 121.223 -0.002 0.000 2.131 2251 L HA -0.144 4.196 4.340 0.000 0.000 0.210 2251 L C 2.379 179.243 176.870 -0.010 0.000 1.092 2251 L CA 1.262 56.103 54.840 0.002 0.000 0.759 2251 L CB -0.566 41.498 42.059 0.008 0.000 0.903 2251 L HN 0.282 nan 8.230 nan 0.000 0.435 2252 I N -0.353 120.201 120.570 -0.028 0.000 2.286 2252 I HA -0.218 3.952 4.170 0.000 0.000 0.245 2252 I C 2.058 178.132 176.117 -0.072 0.000 1.104 2252 I CA 0.966 62.236 61.300 -0.049 0.000 1.397 2252 I CB -0.372 37.590 38.000 -0.064 0.000 1.072 2252 I HN 0.194 nan 8.210 nan 0.000 0.417 2253 D N 1.288 121.644 120.400 -0.074 0.000 2.092 2253 D HA -0.158 4.482 4.640 0.000 0.000 0.193 2253 D C 2.179 178.456 176.300 -0.039 0.000 0.994 2253 D CA 1.421 55.370 54.000 -0.085 0.000 0.828 2253 D CB -0.332 40.433 40.800 -0.059 0.000 0.963 2253 D HN 0.266 nan 8.370 nan 0.000 0.450 2254 L N 0.319 121.537 121.223 -0.008 0.000 2.551 2254 L HA -0.000 4.340 4.340 0.000 0.000 0.228 2254 L C 1.573 178.467 176.870 0.041 0.000 1.153 2254 L CA 0.672 55.528 54.840 0.027 0.000 0.851 2254 L CB -0.197 41.879 42.059 0.028 0.000 0.959 2254 L HN 0.034 nan 8.230 nan 0.000 0.451 2255 S N -3.095 112.614 115.700 0.014 0.000 2.593 2255 S HA 0.168 4.638 4.470 0.000 0.000 0.236 2255 S C 0.505 175.106 174.600 0.001 0.000 0.991 2255 S CA -0.548 57.664 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 0.085 nan 8.310 nan 0.000 0.488 2256 T N 2.818 117.361 114.554 -0.019 0.000 2.855 2256 T HA 0.571 4.921 4.350 0.000 0.000 0.281 2256 T C -0.571 174.125 174.700 -0.007 0.000 1.007 2256 T CA -0.600 61.470 62.100 -0.049 0.000 1.009 2256 T CB 1.346 70.111 68.868 -0.171 0.000 0.983 2256 T HN 0.259 nan 8.240 nan 0.000 0.455 2257 L N 3.244 124.461 121.223 -0.009 0.000 2.289 2257 L HA 0.453 4.793 4.340 0.000 0.000 0.285 2257 L C -0.930 176.021 176.870 0.136 0.000 1.049 2257 L CA -1.044 53.766 54.840 -0.049 0.000 0.804 2257 L CB 0.631 42.560 42.059 -0.218 0.000 1.195 2257 L HN 0.624 nan 8.230 nan 0.000 0.428 2258 Y N 4.522 124.867 120.300 0.075 0.000 2.402 2258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 2258 Y C -0.850 174.995 175.900 -0.091 0.000 0.960 2258 Y CA -1.240 56.962 58.100 0.170 0.000 1.228 2258 Y CB 0.581 39.270 38.460 0.382 0.000 1.120 2258 Y HN 0.523 nan 8.280 nan 0.000 0.491 2259 N N 5.895 124.165 118.700 -0.716 0.000 2.265 2259 N HA 0.568 5.308 4.740 0.000 0.000 0.300 2259 N C -1.526 173.472 175.510 -0.853 0.000 1.148 2259 N CA -0.648 51.900 53.050 -0.837 0.000 0.772 2259 N CB 2.378 40.349 38.487 -0.860 0.000 1.434 2259 N HN 0.556 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 -0.004 176.860 176.870 -0.011 0.000 1.006 2260 L CA -0.548 54.177 54.840 -0.191 0.000 0.817 2260 L CB 1.697 43.611 42.059 -0.242 0.000 1.272 2260 L HN 0.387 nan 8.230 nan 0.000 0.421 2261 E N 2.458 122.793 120.200 0.224 0.000 2.408 2261 E HA 0.382 4.732 4.350 0.000 0.000 0.275 2261 E C -1.480 175.218 176.600 0.164 0.000 0.935 2261 E CA -0.850 55.678 56.400 0.213 0.000 0.775 2261 E CB 3.146 33.045 29.700 0.332 0.000 1.277 2261 E HN 0.671 nan 8.360 nan 0.000 0.455 2262 N N -0.048 118.681 118.700 0.049 0.000 2.405 2262 N HA 0.534 5.274 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 -0.578 52.429 53.050 -0.072 0.000 0.773 2262 N CB 2.012 40.340 38.487 -0.265 0.000 1.490 2262 N HN 0.492 nan 8.380 nan 0.000 0.486 2263 S N -1.377 114.367 115.700 0.074 0.000 2.656 2263 S HA 0.888 5.358 4.470 0.000 0.000 0.273 2263 S C -1.553 173.122 174.600 0.124 0.000 1.168 2263 S CA -0.880 57.392 58.200 0.120 0.000 0.817 2263 S CB 1.262 64.564 63.200 0.171 0.000 1.146 2263 S HN 1.092 nan 8.310 nan 0.000 0.475 2264 A N 0.999 123.896 122.820 0.128 0.000 2.414 2264 A HA 0.824 5.144 4.320 0.000 0.000 0.306 2264 A C -1.342 176.324 177.584 0.138 0.000 1.054 2264 A CA -0.741 51.379 52.037 0.138 0.000 0.724 2264 A CB 1.575 20.657 19.000 0.135 0.000 1.267 2264 A HN 0.775 nan 8.150 nan 0.000 0.418 2265 Q N 0.616 120.519 119.800 0.171 0.000 2.359 2265 Q HA 0.789 5.129 4.340 0.000 0.000 0.274 2265 Q C -0.669 175.475 176.000 0.240 0.000 1.074 2265 Q CA -0.589 55.358 55.803 0.240 0.000 0.810 2265 Q CB 2.032 30.970 28.738 0.333 0.000 1.342 2265 Q HN 1.200 nan 8.270 nan 0.000 0.427 2266 A N -0.343 122.618 122.820 0.234 0.000 2.486 2266 A HA 0.932 5.252 4.320 0.000 0.000 0.289 2266 A C 0.346 178.026 177.584 0.161 0.000 1.176 2266 A CA -0.284 51.797 52.037 0.074 0.000 0.757 2266 A CB 1.432 20.458 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 -0.424 174.486 174.900 0.018 0.000 1.017 2267 G CA -0.033 45.127 45.100 0.100 0.000 0.686 2267 G HN 0.754 nan 8.290 nan 0.000 0.503 2268 L N 1.485 122.516 121.223 -0.320 0.000 2.395 2268 L HA 0.778 5.118 4.340 0.000 0.000 0.269 2268 L C 0.975 177.770 176.870 -0.126 0.000 1.133 2268 L CA 0.511 55.134 54.840 -0.362 0.000 0.812 2268 L CB 1.669 43.370 42.059 -0.596 0.000 1.125 2268 L HN 0.458 nan 8.230 nan 0.000 0.452 2269 T N -0.107 114.402 114.554 -0.075 0.000 2.952 2269 T HA 0.544 4.894 4.350 0.000 0.000 0.305 2269 T C -2.857 171.813 174.700 -0.049 0.000 1.064 2269 T CA -2.230 59.845 62.100 -0.041 0.000 1.008 2269 T CB 1.913 70.774 68.868 -0.011 0.000 1.078 2269 T HN 0.163 nan 8.240 nan 0.000 0.459 2270 P HA 0.122 nan 4.420 nan 0.000 0.261 2270 P C 0.290 177.562 177.300 -0.047 0.000 1.173 2270 P CA 0.561 63.636 63.100 -0.042 0.000 0.760 2270 P CB 0.075 31.760 31.700 -0.025 0.000 0.783 2271 N N -0.985 117.673 118.700 -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 0.753 53.761 53.050 -0.068 0.000 0.831 2271 N CB -1.639 36.830 38.487 -0.029 0.000 1.142 2271 N HN 0.193 nan 8.380 nan 0.000 0.573 2272 V N 1.151 121.026 119.914 -0.065 0.000 2.459 2272 V HA 0.226 4.346 4.120 0.000 0.000 0.295 2272 V C 0.124 176.188 176.094 -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 3.400 123.780 120.400 -0.033 0.000 2.434 2273 D HA 0.110 4.750 4.640 0.000 0.000 0.252 2273 D C -0.541 175.770 176.300 0.019 0.000 1.185 2273 D CA 0.497 54.474 54.000 -0.038 0.000 0.886 2273 D CB 0.393 41.194 40.800 0.000 0.000 1.148 2273 D HN 0.347 nan 8.370 nan 0.000 0.483 2274 F N 3.627 123.483 119.950 -0.156 0.000 2.385 2274 F HA 0.329 4.856 4.527 0.000 0.000 0.360 2274 F C -0.711 175.031 175.800 -0.096 0.000 1.122 2274 F CA -0.781 57.142 58.000 -0.127 0.000 1.090 2274 F CB 0.784 39.680 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 -0.490 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 33.135 31.823 -0.191 0.000 0.985 2275 V HN 0.496 nan 8.190 nan 0.000 0.436 2276 V N 5.105 124.869 119.914 -0.250 0.000 2.328 2276 V HA 0.333 4.453 4.120 0.000 0.000 0.278 2276 V C 0.112 176.078 176.094 -0.213 0.000 1.021 2276 V CA -0.706 61.460 62.300 -0.222 0.000 0.838 2276 V CB 1.270 33.029 31.823 -0.108 0.000 0.999 2276 V HN 0.815 nan 8.190 nan 0.000 0.447 2277 Q N 3.019 122.703 119.800 -0.193 0.000 2.352 2277 Q HA 0.276 4.616 4.340 0.000 0.000 0.260 2277 Q C -0.821 175.023 176.000 -0.259 0.000 0.976 2277 Q CA 0.118 55.828 55.803 -0.156 0.000 0.881 2277 Q CB 1.018 29.694 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 0.735 176.526 175.900 -0.182 0.000 1.123 2278 Y CA -0.393 57.481 58.100 -0.378 0.000 1.218 2278 Y CB 1.036 39.206 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 0.311 4.631 4.320 0.000 0.000 0.261 2279 A C -0.149 177.412 177.584 -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 0.534 5.274 4.740 0.000 0.000 0.260 2280 N C 0.545 175.936 175.510 -0.199 0.000 1.242 2280 N CA -0.140 52.817 53.050 -0.155 0.000 0.959 2280 N CB 0.507 38.897 38.487 -0.162 0.000 1.201 2280 N HN 0.730 nan 8.380 nan 0.000 0.511 2281 L N -4.081 117.063 121.223 -0.130 0.000 3.271 2281 L HA -0.299 4.041 4.340 0.000 0.000 0.385 2281 L C -0.305 176.776 176.870 0.352 0.000 0.696 2281 L CA 1.321 56.208 54.840 0.079 0.000 3.118 2281 L CB -1.365 40.700 42.059 0.010 0.000 0.639 2281 L HN 0.628 nan 8.230 nan 0.000 0.752 2282 Y N 1.307 121.595 120.300 -0.020 0.000 2.346 2282 Y HA 0.266 4.816 4.550 0.000 0.000 0.330 2282 Y C 1.031 176.911 175.900 -0.033 0.000 1.178 2282 Y CA -0.632 57.326 58.100 -0.236 0.000 1.331 2282 Y CB 0.504 38.380 38.460 -0.972 0.000 1.253 2282 Y HN 0.060 nan 8.280 nan 0.000 0.529 2283 R N 3.565 124.155 120.500 0.151 0.000 2.247 2283 R HA 0.215 4.555 4.340 0.000 0.000 0.329 2283 R C -1.712 174.634 176.300 0.075 0.000 1.014 2283 R CA -0.601 55.594 56.100 0.158 0.000 0.907 2283 R CB 0.369 30.707 30.300 0.064 0.000 1.146 2283 R HN 0.535 nan 8.270 nan 0.000 0.499 2284 Y N 3.240 123.649 120.300 0.181 0.000 2.436 2284 Y HA 0.046 4.596 4.550 0.000 0.000 0.343 2284 Y C 1.385 177.347 175.900 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 0.464 nan 8.280 nan 0.000 0.521 2285 L N 1.898 123.241 121.223 0.199 0.000 2.162 2285 L HA 0.038 4.378 4.340 0.000 0.000 0.205 2285 L C 0.761 177.743 176.870 0.187 0.000 1.086 2285 L CA 0.613 55.511 54.840 0.096 0.000 0.778 2285 L CB -0.116 41.919 42.059 -0.039 0.000 0.928 2285 L HN 0.624 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 -0.622 174.176 174.600 0.329 0.000 1.149 2286 S CA -0.678 57.665 58.200 0.238 0.000 0.837 2286 S CB 2.365 65.751 63.200 0.310 0.000 1.124 2286 S HN -0.071 nan 8.310 nan 0.000 0.465 2287 T N 1.937 116.598 114.554 0.177 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 -0.034 0.000 1.031 2287 T CA -0.397 61.765 62.100 0.104 0.000 0.993 2287 T CB 0.905 69.881 68.868 0.179 0.000 1.045 2287 T HN 0.660 nan 8.240 nan 0.000 0.454 2288 I N 2.236 122.723 120.570 -0.139 0.000 2.509 2288 I HA 0.723 4.893 4.170 0.000 0.000 0.293 2288 I C -0.351 175.622 176.117 -0.241 0.000 1.020 2288 I CA -0.929 60.330 61.300 -0.069 0.000 1.088 2288 I CB 1.750 39.811 38.000 0.102 0.000 1.267 2288 I HN 0.734 nan 8.210 nan 0.000 0.430 2289 A N 6.252 128.983 122.820 -0.148 0.000 2.335 2289 A HA 0.754 5.074 4.320 0.000 0.000 0.304 2289 A C -1.140 176.521 177.584 0.129 0.000 1.118 2289 A CA -0.475 51.489 52.037 -0.121 0.000 0.757 2289 A CB 1.351 20.189 19.000 -0.271 0.000 1.188 2289 A HN 0.392 nan 8.150 nan 0.000 0.460 2290 V N 3.338 123.345 119.914 0.154 0.000 2.357 2290 V HA 0.315 4.435 4.120 0.000 0.000 0.284 2290 V C -0.693 175.584 176.094 0.305 0.000 1.018 2290 V CA -0.392 62.044 62.300 0.226 0.000 0.841 2290 V CB 1.192 33.097 31.823 0.136 0.000 0.991 2290 V HN 0.782 nan 8.190 nan 0.000 0.437 2291 F N 5.288 125.329 119.950 0.152 0.000 2.406 2291 F HA 0.369 4.896 4.527 0.000 0.000 0.358 2291 F C 0.460 176.150 175.800 -0.184 0.000 1.161 2291 F CA -1.795 56.211 58.000 0.011 0.000 1.185 2291 F CB 0.171 39.199 39.000 0.046 0.000 1.421 2291 F HN 0.599 nan 8.300 nan 0.000 0.576 2292 D N 4.244 124.626 120.400 -0.030 0.000 2.435 2292 D HA -0.030 4.611 4.640 0.000 0.000 0.230 2292 D C -0.082 175.880 176.300 -0.563 0.000 1.215 2292 D CA 0.088 53.760 54.000 -0.546 0.000 0.947 2292 D CB -0.322 40.397 40.800 -0.134 0.000 1.048 2292 D HN 0.273 nan 8.370 nan 0.000 0.512 2293 N N 2.824 120.940 118.700 -0.973 0.000 3.050 2293 N HA 0.190 4.930 4.740 0.000 0.000 0.289 2293 N C 0.736 175.936 175.510 -0.517 0.000 1.209 2293 N CA 0.414 52.941 53.050 -0.873 0.000 1.154 2293 N CB -0.437 37.331 38.487 -1.197 0.000 1.444 2293 N HN 0.608 nan 8.380 nan 0.000 0.529 2294 G N 0.971 109.566 108.800 -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 0.981 175.748 174.900 -0.221 0.000 1.040 2294 G CA 0.565 45.534 45.100 -0.219 0.000 0.942 2294 G HN 1.105 nan 8.290 nan 0.000 0.506 2295 G N -2.337 106.285 108.800 -0.296 0.000 2.217 2295 G HA2 -0.058 3.902 3.960 0.000 0.000 0.246 2295 G HA3 -0.058 3.902 3.960 0.000 0.000 0.246 2295 G C 0.474 175.243 174.900 -0.219 0.000 0.990 2295 G CA 0.642 45.643 45.100 -0.165 0.000 0.627 2295 G HN 1.741 nan 8.290 nan 0.000 0.522 2296 S N 0.266 115.703 115.700 -0.437 0.000 2.508 2296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 2296 S C -0.811 173.379 174.600 -0.684 0.000 1.192 2296 S CA -0.294 57.695 58.200 -0.352 0.000 1.070 2296 S CB 0.882 63.910 63.200 -0.288 0.000 1.004 2296 S HN 0.308 nan 8.310 nan 0.000 0.493 2297 F N 2.904 122.748 119.950 -0.177 0.000 2.445 2297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 2297 F C 0.453 176.192 175.800 -0.103 0.000 1.125 2297 F CA -0.851 57.054 58.000 -0.158 0.000 0.983 2297 F CB 1.202 40.110 39.000 -0.153 0.000 1.198 2297 F HN 0.389 nan 8.300 nan 0.000 0.436 2298 N N 1.430 120.127 118.700 -0.004 0.000 2.384 2298 N HA 0.501 5.241 4.740 0.000 0.000 0.301 2298 N C -0.486 175.090 175.510 0.110 0.000 1.133 2298 N CA -0.704 52.364 53.050 0.030 0.000 0.853 2298 N CB 2.235 40.704 38.487 -0.030 0.000 1.241 2298 N HN 0.574 nan 8.380 nan 0.000 0.502 2299 A N 0.612 123.494 122.820 0.103 0.000 3.063 2299 A HA 0.462 4.782 4.320 0.000 0.000 0.263 2299 A C 1.352 179.045 177.584 0.181 0.000 1.736 2299 A CA 0.338 52.453 52.037 0.131 0.000 1.408 2299 A CB -1.423 17.634 19.000 0.095 0.000 1.108 2299 A HN 0.915 nan 8.150 nan 0.000 0.621 2300 G N 1.056 110.027 108.800 0.283 0.000 2.302 2300 G HA2 -0.422 3.538 3.960 0.000 0.000 0.263 2300 G HA3 -0.422 3.538 3.960 0.000 0.000 0.263 2300 G C 1.358 176.346 174.900 0.148 0.000 0.995 2300 G CA 1.545 46.808 45.100 0.273 0.000 0.622 2300 G HN 1.556 nan 8.290 nan 0.000 0.538 2301 T N -0.624 113.997 114.554 0.112 0.000 2.977 2301 T HA 0.046 4.396 4.350 0.000 0.000 0.271 2301 T C 1.477 176.208 174.700 0.052 0.000 1.105 2301 T CA 1.874 64.014 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 0.325 120.768 120.400 0.072 0.000 2.368 2302 D HA 0.255 4.895 4.640 0.000 0.000 0.218 2302 D C 0.146 176.530 176.300 0.141 0.000 1.112 2302 D CA -0.495 53.555 54.000 0.084 0.000 0.834 2302 D CB -0.306 40.508 40.800 0.024 0.000 0.953 2302 D HN 0.478 nan 8.370 nan 0.000 0.505 2303 I N 0.471 121.077 120.570 0.061 0.000 2.545 2303 I HA 0.218 4.388 4.170 0.000 0.000 0.292 2303 I C 0.619 176.684 176.117 -0.086 0.000 1.040 2303 I CA -0.861 60.402 61.300 -0.062 0.000 1.068 2303 I CB 2.135 40.036 38.000 -0.165 0.000 1.251 2303 I HN -0.269 nan 8.210 nan 0.000 0.424 2304 N N 3.909 122.510 118.700 -0.166 0.000 2.197 2304 N HA -0.002 4.738 4.740 0.000 0.000 0.184 2304 N C -0.569 174.946 175.510 0.008 0.000 1.030 2304 N CA 1.402 54.399 53.050 -0.088 0.000 0.851 2304 N CB 0.249 38.645 38.487 -0.153 0.000 1.003 2304 N HN 0.629 nan 8.380 nan 0.000 0.430 2305 Y N -1.977 118.246 120.300 -0.129 0.000 2.741 2305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 2305 Y C -1.792 173.937 175.900 -0.286 0.000 1.226 2305 Y CA -1.442 56.566 58.100 -0.154 0.000 1.072 2305 Y CB 0.475 38.886 38.460 -0.082 0.000 1.331 2305 Y HN -0.277 nan 8.280 nan 0.000 0.453 2306 L N 1.639 122.806 121.223 -0.094 0.000 2.333 2306 L HA 0.924 5.264 4.340 0.000 0.000 0.263 2306 L C -0.098 176.656 176.870 -0.194 0.000 1.014 2306 L CA -0.547 54.002 54.840 -0.485 0.000 0.820 2306 L CB 2.212 43.488 42.059 -1.305 0.000 1.352 2306 L HN 0.891 nan 8.230 nan 0.000 0.421 2307 S N -0.170 115.317 115.700 -0.356 0.000 2.636 2307 S HA 0.588 5.058 4.470 0.000 0.000 0.268 2307 S C -2.078 172.392 174.600 -0.217 0.000 1.159 2307 S CA -0.616 57.549 58.200 -0.058 0.000 0.815 2307 S CB 1.608 64.815 63.200 0.011 0.000 1.130 2307 S HN 0.578 nan 8.310 nan 0.000 0.471 2308 Q N 1.074 120.873 119.800 -0.003 0.000 2.304 2308 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 2308 Q C -1.107 174.918 176.000 0.042 0.000 1.035 2308 Q CA -0.683 55.151 55.803 0.052 0.000 0.781 2308 Q CB 2.205 31.032 28.738 0.147 0.000 1.261 2308 Q HN 0.665 nan 8.270 nan 0.000 0.444 2309 R N -0.639 119.891 120.500 0.050 0.000 2.604 2309 R HA 0.440 4.780 4.340 0.000 0.000 0.281 2309 R C -0.338 175.983 176.300 0.035 0.000 1.020 2309 R CA -0.708 55.409 56.100 0.028 0.000 0.899 2309 R CB 0.981 31.286 30.300 0.009 0.000 1.205 2309 R HN 0.503 nan 8.270 nan 0.000 0.450 2310 T N 0.677 115.241 114.554 0.017 0.000 3.418 2310 T HA 0.447 4.797 4.350 0.000 0.000 0.239 2310 T C 0.981 175.684 174.700 0.005 0.000 0.905 2310 T CA 0.110 62.217 62.100 0.012 0.000 0.929 2310 T CB -0.528 68.341 68.868 0.003 0.000 1.121 2310 T HN 1.087 nan 8.240 nan 0.000 0.608 2311 A N 1.495 124.319 122.820 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 1.750 53.785 52.037 -0.003 0.000 0.715 2311 A CB -2.354 16.641 19.000 -0.008 0.000 1.178 2311 A HN 2.327 nan 8.150 nan 0.000 0.370 2312 N N -2.432 116.262 118.700 -0.009 0.000 2.677 2312 N HA 0.425 5.165 4.740 0.000 0.000 0.249 2312 N C 1.304 176.809 175.510 -0.009 0.000 1.073 2312 N CA 2.174 55.219 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 -2.180 117.765 119.950 -0.009 0.000 2.694 2313 F HA 0.139 4.666 4.527 0.000 0.000 0.215 2313 F C 0.813 176.605 175.800 -0.014 0.000 1.032 2313 F CA 1.543 59.536 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 1.961 nan 8.300 nan 0.000 0.850 2314 S N 1.418 117.111 115.700 -0.012 0.000 2.721 2314 S HA 0.480 4.950 4.470 0.000 0.000 0.264 2314 S C -0.927 173.666 174.600 -0.011 0.000 1.161 2314 S CA -0.287 57.906 58.200 -0.013 0.000 1.113 2314 S CB 0.645 63.839 63.200 -0.009 0.000 1.079 2314 S HN 0.579 nan 8.310 nan 0.000 0.479 2315 D N 2.793 123.180 120.400 -0.021 0.000 2.255 2315 D HA 0.239 4.879 4.640 0.000 0.000 0.249 2315 D C 1.205 177.498 176.300 -0.012 0.000 1.078 2315 D CA -0.059 53.930 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 -1.067 113.488 114.554 0.002 0.000 3.022 2316 T HA 0.061 4.411 4.350 0.000 0.000 0.250 2316 T C 0.927 175.627 174.700 -0.000 0.000 1.060 2316 T CA -0.280 61.820 62.100 -0.001 0.000 1.013 2316 T CB 0.278 69.148 68.868 0.002 0.000 0.982 2316 T HN 0.588 nan 8.240 nan 0.000 0.508 2317 R N 0.421 120.933 120.500 0.020 0.000 2.714 2317 R HA 0.311 4.651 4.340 0.000 0.000 0.214 2317 R C -0.847 175.520 176.300 0.113 0.000 1.474 2317 R CA -0.653 55.467 56.100 0.034 0.000 1.435 2317 R CB -0.322 29.967 30.300 -0.018 0.000 1.517 2317 R HN 0.085 nan 8.270 nan 0.000 0.748 2318 K N 2.889 123.313 120.400 0.040 0.000 2.338 2318 K HA 0.283 4.603 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 -0.105 56.182 56.287 0.001 0.000 0.941 2318 K CB 0.468 32.861 32.500 -0.177 0.000 1.023 2318 K HN 0.444 nan 8.250 nan 0.000 0.477 2319 L N 3.279 124.614 121.223 0.187 0.000 2.371 2319 L HA 0.341 4.681 4.340 0.000 0.000 0.262 2319 L C -0.433 176.573 176.870 0.227 0.000 1.006 2319 L CA -1.376 53.592 54.840 0.213 0.000 0.818 2319 L CB 2.036 44.289 42.059 0.323 0.000 1.354 2319 L HN 0.736 nan 8.230 nan 0.000 0.415 2320 D N 0.338 120.844 120.400 0.176 0.000 2.368 2320 D HA 0.150 4.790 4.640 0.000 0.000 0.240 2320 D C -2.109 174.305 176.300 0.190 0.000 1.169 2320 D CA -1.210 52.886 54.000 0.161 0.000 0.906 2320 D CB 0.668 41.542 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 1.130 178.604 177.300 0.291 0.000 1.150 2321 P CA 1.526 64.731 63.100 0.175 0.000 0.843 2321 P CB 0.091 31.861 31.700 0.118 0.000 0.787 2322 K N -1.072 119.458 120.400 0.218 0.000 2.097 2322 K HA -0.070 4.250 4.320 0.000 0.000 0.205 2322 K C 1.734 178.459 176.600 0.209 0.000 1.050 2322 K CA 1.523 57.931 56.287 0.202 0.000 0.938 2322 K CB -0.397 32.188 32.500 0.141 0.000 0.718 2322 K HN 0.031 nan 8.250 nan 0.000 0.442 2323 T N 0.337 115.013 114.554 0.203 0.000 2.904 2323 T HA -0.139 4.211 4.350 0.000 0.000 0.267 2323 T C 1.115 175.947 174.700 0.221 0.000 1.059 2323 T CA 0.774 62.978 62.100 0.172 0.000 1.137 2323 T CB -0.200 68.749 68.868 0.136 0.000 0.879 2323 T HN 0.437 nan 8.240 nan 0.000 0.467 2324 W N 2.247 123.620 121.300 0.121 0.000 2.358 2324 W HA -0.070 4.590 4.660 0.000 0.000 0.303 2324 W C 2.447 179.089 176.519 0.206 0.000 1.208 2324 W CA 1.255 58.694 57.345 0.157 0.000 1.274 2324 W CB -0.613 28.948 29.460 0.168 0.000 1.138 2324 W HN 0.288 nan 8.180 nan 0.000 0.515 2325 A N 0.898 124.020 122.820 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 2.555 54.820 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 0.291 nan 8.150 nan 0.000 0.446 2326 A N -0.910 122.004 122.820 0.157 0.000 1.933 2326 A HA -0.185 4.135 4.320 0.000 0.000 0.218 2326 A C 2.089 179.707 177.584 0.056 0.000 1.175 2326 A CA 1.670 53.762 52.037 0.092 0.000 0.628 2326 A CB -0.432 18.614 19.000 0.076 0.000 0.814 2326 A HN 0.500 nan 8.150 nan 0.000 0.444 2327 Q N -0.493 119.318 119.800 0.019 0.000 2.124 2327 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 2327 Q C 2.112 178.132 176.000 0.032 0.000 0.977 2327 Q CA 1.987 57.771 55.803 -0.031 0.000 0.850 2327 Q CB -1.225 27.409 28.738 -0.173 0.000 0.901 2327 Q HN 0.636 nan 8.270 nan 0.000 0.429 2328 T N 1.091 115.703 114.554 0.096 0.000 2.821 2328 T HA -0.060 4.290 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 0.752 62.979 62.100 0.212 0.000 1.139 2328 T CB -0.039 69.049 68.868 0.366 0.000 0.871 2328 T HN 0.261 nan 8.240 nan 0.000 0.454 2329 R N 0.722 121.264 120.500 0.071 0.000 2.152 2329 R HA 0.029 4.369 4.340 0.000 0.000 0.232 2329 R C 2.441 178.747 176.300 0.010 0.000 1.117 2329 R CA 0.758 56.870 56.100 0.020 0.000 0.981 2329 R CB -0.069 30.248 30.300 0.028 0.000 0.870 2329 R HN 0.221 nan 8.270 nan 0.000 0.451 2330 R N 0.175 120.692 120.500 0.028 0.000 2.189 2330 R HA 0.013 4.353 4.340 0.000 0.000 0.218 2330 R C 1.850 178.167 176.300 0.028 0.000 1.074 2330 R CA 0.740 56.853 56.100 0.022 0.000 0.991 2330 R CB 0.022 30.336 30.300 0.023 0.000 0.883 2330 R HN 0.170 nan 8.270 nan 0.000 0.457 2331 R N 0.411 120.940 120.500 0.049 0.000 2.146 2331 R HA 0.158 4.498 4.340 0.000 0.000 0.206 2331 R C 2.027 178.316 176.300 -0.018 0.000 1.049 2331 R CA 0.772 56.909 56.100 0.062 0.000 1.029 2331 R CB 0.052 30.467 30.300 0.191 0.000 0.949 2331 R HN 0.313 nan 8.270 nan 0.000 0.471 2332 I N -3.962 116.558 120.570 -0.084 0.000 4.147 2332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 2332 I C 0.496 176.524 176.117 -0.149 0.000 1.424 2332 I CA 0.099 61.296 61.300 -0.172 0.000 1.127 2332 I CB 0.882 38.650 38.000 -0.386 0.000 1.128 2332 I HN -0.042 nan 8.210 nan 0.000 0.417 2333 A N 0.295 123.059 122.820 -0.092 0.000 2.861 2333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 2333 A C 0.637 178.174 177.584 -0.078 0.000 1.351 2333 A CA 1.673 53.669 52.037 -0.070 0.000 0.904 2333 A CB -2.297 16.665 19.000 -0.064 0.000 1.076 2333 A HN 0.806 nan 8.150 nan 0.000 0.729 2334 T N -1.853 112.637 114.554 -0.108 0.000 2.654 2334 T HA 0.497 4.847 4.350 0.000 0.000 0.303 2334 T C -2.120 172.503 174.700 -0.128 0.000 1.656 2334 T CA 0.136 62.176 62.100 -0.100 0.000 0.971 2334 T CB 0.942 69.741 68.868 -0.114 0.000 1.811 2334 T HN 0.284 nan 8.240 nan 0.000 0.483 2335 D N 0.571 120.915 120.400 -0.094 0.000 2.217 2335 D HA 0.515 5.155 4.640 0.000 0.000 0.248 2335 D C -0.273 175.938 176.300 -0.148 0.000 1.008 2335 D CA -0.120 53.844 54.000 -0.060 0.000 0.914 2335 D CB 0.801 41.615 40.800 0.024 0.000 1.182 2335 D HN 0.334 nan 8.370 nan 0.000 0.451 2336 F N 0.595 120.480 119.950 -0.108 0.000 2.399 2336 F HA 0.218 4.745 4.527 0.000 0.000 0.313 2336 F C -1.338 174.358 175.800 -0.174 0.000 1.202 2336 F CA -1.261 56.597 58.000 -0.237 0.000 1.192 2336 F CB 0.075 38.830 39.000 -0.409 0.000 1.256 2336 F HN 0.071 nan 8.300 nan 0.000 0.558 2337 P HA -0.009 nan 4.420 nan 0.000 0.270 2337 P C -1.172 176.161 177.300 0.054 0.000 1.227 2337 P CA -0.267 62.897 63.100 0.106 0.000 0.788 2337 P CB 0.328 32.193 31.700 0.274 0.000 0.926 2338 K N 1.128 121.569 120.400 0.068 0.000 2.530 2338 K HA 0.110 4.430 4.320 0.000 0.000 0.280 2338 K C 1.290 177.953 176.600 0.104 0.000 1.004 2338 K CA 1.283 57.611 56.287 0.069 0.000 1.071 2338 K CB -0.768 31.792 32.500 0.101 0.000 0.876 2338 K HN 0.864 nan 8.250 nan 0.000 0.487 2339 G N 1.183 109.996 108.800 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 0.016 174.866 174.900 -0.084 0.000 0.975 2339 G CA 0.081 45.251 45.100 0.116 0.000 0.642 2339 G HN 0.428 nan 8.290 nan 0.000 0.536 2340 V N 0.988 120.689 119.914 -0.356 0.000 2.370 2340 V HA 0.650 4.770 4.120 0.000 0.000 0.279 2340 V C -0.289 175.443 176.094 -0.605 0.000 1.029 2340 V CA -0.813 61.276 62.300 -0.351 0.000 0.870 2340 V CB 0.828 32.417 31.823 -0.389 0.000 0.984 2340 V HN 0.252 nan 8.190 nan 0.000 0.451 2341 Y N 4.133 124.468 120.300 0.058 0.000 2.393 2341 Y HA 0.623 5.173 4.550 0.000 0.000 0.341 2341 Y C -0.510 175.566 175.900 0.293 0.000 0.988 2341 Y CA -0.805 57.434 58.100 0.231 0.000 1.078 2341 Y CB 1.829 40.350 38.460 0.101 0.000 1.203 2341 Y HN 0.631 nan 8.280 nan 0.000 0.453 2342 Y N 2.172 122.774 120.300 0.504 0.000 2.468 2342 Y HA 0.672 5.222 4.550 0.000 0.000 0.342 2342 Y C -1.192 175.004 175.900 0.494 0.000 1.021 2342 Y CA -1.826 56.465 58.100 0.319 0.000 1.079 2342 Y CB 1.714 40.288 38.460 0.190 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 0.366 4.826 4.460 0.000 0.000 0.334 2343 C C -1.318 173.291 174.990 -0.634 0.000 1.155 2343 C CA -0.709 58.121 59.018 -0.314 0.000 1.335 2343 C CB -0.017 27.917 27.740 0.323 0.000 1.964 2343 C HN 0.885 nan 8.230 nan 0.000 0.444 2344 D N 3.992 124.098 120.400 -0.490 0.000 2.280 2344 D HA 0.295 4.935 4.640 0.000 0.000 0.243 2344 D C 0.041 176.309 176.300 -0.053 0.000 1.129 2344 D CA 0.275 54.155 54.000 -0.200 0.000 0.848 2344 D CB 0.755 41.570 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 4.840 4.740 0.000 0.000 0.271 2345 N C 1.093 176.626 175.510 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 39.237 38.487 0.044 0.000 1.332 2345 N HN 0.359 nan 8.380 nan 0.000 0.498 2346 R N 0.478 121.009 120.500 0.053 0.000 2.081 2346 R HA -0.044 4.296 4.340 0.000 0.000 0.235 2346 R C 0.739 177.046 176.300 0.012 0.000 1.131 2346 R CA 1.159 57.284 56.100 0.042 0.000 0.960 2346 R CB 0.105 30.470 30.300 0.109 0.000 0.856 2346 R HN 0.121 nan 8.270 nan 0.000 0.436 2347 D N 0.418 120.832 120.400 0.023 0.000 2.194 2347 D HA -0.041 4.599 4.640 0.000 0.000 0.204 2347 D C 0.208 176.512 176.300 0.006 0.000 0.964 2347 D CA 1.240 55.249 54.000 0.014 0.000 0.846 2347 D CB 0.226 41.037 40.800 0.018 0.000 0.962 2347 D HN 0.118 nan 8.370 nan 0.000 0.490 2348 K N 0.908 121.314 120.400 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 0.012 0.000 1.244 2348 K HN -0.107 nan 8.250 nan 0.000 0.594 2349 P HA -0.039 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 -0.185 62.944 63.100 0.049 0.000 0.766 2349 P CB 0.452 32.170 31.700 0.029 0.000 0.820 2350 I N 3.640 124.259 120.570 0.081 0.000 2.587 2350 I HA 0.008 4.178 4.170 0.000 0.000 0.284 2350 I C -0.039 176.222 176.117 0.240 0.000 1.134 2350 I CA 0.253 61.560 61.300 0.012 0.000 1.410 2350 I CB -1.200 36.570 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 1.286 177.211 175.900 0.041 0.000 1.062 2351 Y CA -1.051 57.094 58.100 0.074 0.000 1.159 2351 Y CB 1.584 40.080 38.460 0.060 0.000 1.145 2351 Y HN 0.725 nan 8.280 nan 0.000 0.442 2352 T N 0.753 115.226 114.554 -0.136 0.000 2.881 2352 T HA -0.180 4.170 4.350 0.000 0.000 0.270 2352 T C 2.036 176.582 174.700 -0.256 0.000 1.068 2352 T CA 1.788 63.793 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 0.548 nan 8.240 nan 0.000 0.479 2353 L N 0.658 121.548 121.223 -0.555 0.000 2.056 2353 L HA 0.351 4.691 4.340 0.000 0.000 0.207 2353 L C 3.038 179.813 176.870 -0.157 0.000 1.078 2353 L CA 2.392 56.985 54.840 -0.413 0.000 0.749 2353 L CB -2.198 39.482 42.059 -0.631 0.000 0.901 2353 L HN 0.726 nan 8.230 nan 0.000 0.433 2354 Q N -2.416 117.357 119.800 -0.045 0.000 2.360 2354 Q HA 0.369 4.709 4.340 0.000 0.000 0.202 2354 Q C 1.437 177.463 176.000 0.043 0.000 0.915 2354 Q CA 1.535 57.387 55.803 0.082 0.000 0.943 2354 Q CB -0.954 27.916 28.738 0.221 0.000 1.064 2354 Q HN 1.857 nan 8.270 nan 0.000 0.511 2355 Y N -3.208 117.094 120.300 0.004 0.000 2.795 2355 Y HA 0.546 5.096 4.550 0.000 0.000 0.274 2355 Y C 1.273 177.163 175.900 -0.016 0.000 1.035 2355 Y CA 0.234 58.336 58.100 0.002 0.000 1.252 2355 Y CB -0.063 38.405 38.460 0.013 0.000 1.399 2355 Y HN 1.235 nan 8.280 nan 0.000 0.579 2356 G N 0.898 109.675 108.800 -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 -0.508 174.371 174.900 -0.035 0.000 1.370 2356 G CA -0.380 44.697 45.100 -0.040 0.000 0.856 2356 G HN 0.941 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 -0.001 175.519 175.510 0.015 0.000 1.228 2357 N CA 0.396 53.439 53.050 -0.011 0.000 0.900 2357 N CB 0.803 39.280 38.487 -0.017 0.000 1.089 2357 N HN 0.519 nan 8.380 nan 0.000 0.449 2358 V N 0.146 120.096 119.914 0.060 0.000 2.962 2358 V HA 0.753 4.873 4.120 0.000 0.000 0.313 2358 V C 0.393 176.646 176.094 0.265 0.000 1.099 2358 V CA -0.817 61.549 62.300 0.111 0.000 0.971 2358 V CB 2.087 33.928 31.823 0.029 0.000 1.028 2358 V HN 0.811 nan 8.190 nan 0.000 0.430 2359 G N 0.691 109.645 108.800 0.255 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 -2.050 173.013 174.900 0.272 0.000 1.369 2359 G CA -0.606 44.617 45.100 0.206 0.000 0.912 2359 G HN 0.489 nan 8.290 nan 0.000 0.479 2360 F N 1.701 121.651 119.950 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 57.531 58.000 0.055 0.000 1.096 2360 F CB 1.755 40.733 39.000 -0.038 0.000 1.129 2360 F HN 0.283 nan 8.300 nan 0.000 0.486 2361 V N 6.491 126.132 119.914 -0.455 0.000 2.555 2361 V HA 0.584 4.705 4.120 0.000 0.000 0.302 2361 V C -0.818 175.063 176.094 -0.354 0.000 1.038 2361 V CA -0.872 61.270 62.300 -0.265 0.000 0.887 2361 V CB 1.581 33.320 31.823 -0.140 0.000 0.991 2361 V HN 0.568 nan 8.190 nan 0.000 0.434 2362 V N 3.870 123.672 119.914 -0.186 0.000 2.525 2362 V HA 0.468 4.588 4.120 0.000 0.000 0.299 2362 V C -0.371 175.516 176.094 -0.345 0.000 1.034 2362 V CA -0.627 61.487 62.300 -0.311 0.000 0.863 2362 V CB 2.023 33.669 31.823 -0.294 0.000 0.999 2362 V HN 0.897 nan 8.190 nan 0.000 0.423 2363 N N 6.802 125.156 118.700 -0.577 0.000 2.558 2363 N HA 0.370 5.110 4.740 0.000 0.000 0.242 2363 N C -2.759 172.460 175.510 -0.486 0.000 0.979 2363 N CA -1.623 51.067 53.050 -0.600 0.000 0.931 2363 N CB 2.531 40.345 38.487 -1.122 0.000 1.122 2363 N HN 0.342 nan 8.380 nan 0.000 0.508 2364 P HA 0.129 nan 4.420 nan 0.000 0.275 2364 P C 0.176 177.403 177.300 -0.122 0.000 1.228 2364 P CA -0.152 62.810 63.100 -0.230 0.000 0.786 2364 P CB 2.068 33.627 31.700 -0.234 0.000 0.927 2365 K N 1.414 121.788 120.400 -0.044 0.000 2.168 2365 K HA 0.088 4.408 4.320 0.000 0.000 0.201 2365 K C 0.035 176.633 176.600 -0.002 0.000 1.049 2365 K CA 0.934 57.206 56.287 -0.026 0.000 0.974 2365 K CB 0.287 32.782 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 0.435 4.785 4.350 0.000 0.000 0.292 2366 T C -1.455 173.276 174.700 0.051 0.000 1.012 2366 T CA -0.700 61.409 62.100 0.015 0.000 0.982 2366 T CB 2.297 71.157 68.868 -0.014 0.000 1.018 2366 T HN -0.175 nan 8.240 nan 0.000 0.451 2367 V N 4.322 124.245 119.914 0.015 0.000 2.447 2367 V HA 0.404 4.524 4.120 0.000 0.000 0.292 2367 V C -0.266 175.803 176.094 -0.041 0.000 1.021 2367 V CA -1.131 61.184 62.300 0.025 0.000 0.850 2367 V CB 1.470 33.303 31.823 0.017 0.000 1.005 2367 V HN 0.770 nan 8.190 nan 0.000 0.426 2368 N N 2.582 121.226 118.700 -0.094 0.000 2.379 2368 N HA 0.293 5.033 4.740 0.000 0.000 0.260 2368 N C 0.038 175.499 175.510 -0.082 0.000 1.254 2368 N CA -0.606 52.382 53.050 -0.103 0.000 0.958 2368 N CB 0.532 38.926 38.487 -0.155 0.000 1.208 2368 N HN 0.541 nan 8.380 nan 0.000 0.532 2369 Q N 1.142 120.901 119.800 -0.070 0.000 2.364 2369 Q HA 0.063 4.403 4.340 0.000 0.000 0.267 2369 Q C -0.010 175.953 176.000 -0.062 0.000 0.999 2369 Q CA 0.344 56.115 55.803 -0.053 0.000 0.886 2369 Q CB 0.132 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 -0.711 174.764 175.510 -0.059 0.000 1.111 2370 N CA 0.990 54.015 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 0.811 123.595 122.820 -0.061 0.000 2.371 2371 A HA 0.661 4.981 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 0.130 52.141 52.037 -0.043 0.000 0.794 2371 A CB 0.655 19.669 19.000 0.023 0.000 1.029 2371 A HN 0.471 nan 8.150 nan 0.000 0.488 2372 R N 0.794 121.308 120.500 0.024 0.000 2.712 2372 R HA 0.617 4.957 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 55.172 56.100 -0.005 0.000 0.874 2372 R CB 0.921 31.240 30.300 0.032 0.000 1.256 2372 R HN 0.469 nan 8.270 nan 0.000 0.468 2373 L N 2.604 123.846 121.223 0.032 0.000 2.313 2373 L HA 0.487 4.827 4.340 0.000 0.000 0.283 2373 L C -0.764 176.186 176.870 0.134 0.000 1.013 2373 L CA -1.053 53.840 54.840 0.089 0.000 0.816 2373 L CB 1.678 43.795 42.059 0.096 0.000 1.236 2373 L HN 0.461 nan 8.230 nan 0.000 0.419 2374 L N 4.858 126.177 121.223 0.159 0.000 2.265 2374 L HA 0.458 4.798 4.340 0.000 0.000 0.289 2374 L C -0.201 176.749 176.870 0.133 0.000 1.033 2374 L CA -0.316 54.651 54.840 0.211 0.000 0.814 2374 L CB 1.304 43.566 42.059 0.340 0.000 1.203 2374 L HN 0.479 nan 8.230 nan 0.000 0.423 2375 M N 2.569 122.169 119.600 -0.000 0.000 2.363 2375 M HA 0.517 4.997 4.480 0.000 0.000 0.343 2375 M C 0.269 176.286 176.300 -0.472 0.000 1.165 2375 M CA -0.375 54.741 55.300 -0.307 0.000 1.046 2375 M CB 1.580 33.922 32.600 -0.431 0.000 1.648 2375 M HN 0.582 nan 8.290 nan 0.000 0.452 2376 G N 2.888 111.261 108.800 -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 -1.887 172.605 174.900 -0.679 0.000 1.316 2376 G CA -0.240 44.223 45.100 -1.063 0.000 0.944 2376 G HN 0.594 nan 8.290 nan 0.000 0.489 2377 Y N 0.156 120.484 120.300 0.047 0.000 2.485 2377 Y HA 0.581 5.131 4.550 0.000 0.000 0.345 2377 Y C 0.240 176.391 175.900 0.419 0.000 0.998 2377 Y CA -0.942 57.382 58.100 0.374 0.000 1.059 2377 Y CB 2.848 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 2.580 123.113 120.200 0.555 0.000 2.199 2378 E HA 0.454 4.804 4.350 0.000 0.000 0.265 2378 E C -1.859 174.907 176.600 0.276 0.000 0.882 2378 E CA -0.691 55.876 56.400 0.280 0.000 0.759 2378 E CB 1.316 31.203 29.700 0.312 0.000 1.148 2378 E HN 0.570 nan 8.360 nan 0.000 0.412 2379 Y N 1.657 121.968 120.300 0.017 0.000 2.638 2379 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 2379 Y C -1.900 173.966 175.900 -0.057 0.000 1.155 2379 Y CA -1.479 56.529 58.100 -0.153 0.000 1.046 2379 Y CB 0.998 39.206 38.460 -0.421 0.000 1.303 2379 Y HN 0.301 nan 8.280 nan 0.000 0.460 2380 F N 0.853 120.912 119.950 0.181 0.000 2.480 2380 F HA 0.709 5.236 4.527 0.000 0.000 0.329 2380 F C 0.191 176.062 175.800 0.119 0.000 1.091 2380 F CA -0.914 57.143 58.000 0.095 0.000 0.972 2380 F CB 2.530 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 1.119 115.836 114.554 0.272 0.000 2.885 2381 T HA 0.277 4.627 4.350 0.000 0.000 0.322 2381 T C -1.124 173.640 174.700 0.108 0.000 1.387 2381 T CA -0.565 61.649 62.100 0.189 0.000 1.041 2381 T CB 1.479 70.438 68.868 0.151 0.000 1.287 2381 T HN 0.480 nan 8.240 nan 0.000 0.491 2382 S N 2.317 118.080 115.700 0.105 0.000 2.548 2382 S HA 0.250 4.720 4.470 0.000 0.000 0.277 2382 S C 1.502 176.135 174.600 0.055 0.000 1.315 2382 S CA -0.594 57.642 58.200 0.059 0.000 1.050 2382 S CB 1.043 64.280 63.200 0.061 0.000 0.918 2382 S HN 0.659 nan 8.310 nan 0.000 0.497 2383 R N 1.439 121.957 120.500 0.029 0.000 2.083 2383 R HA -0.092 4.248 4.340 0.000 0.000 0.237 2383 R C 1.453 177.778 176.300 0.041 0.000 1.137 2383 R CA 1.662 57.777 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